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 2azd_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.575 174.600 -0.042 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 1 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 2 Q N 1.849 121.617 119.800 -0.053 0.000 3.113 2 Q HA 0.030 4.369 4.340 -0.001 0.000 0.355 2 Q C -2.084 173.944 176.000 0.048 0.000 1.078 2 Q CA -0.172 55.605 55.803 -0.043 0.000 1.197 2 Q CB -0.288 28.418 28.738 -0.053 0.000 0.954 2 Q HN 0.447 nan 8.270 nan 0.000 0.415 3 P HA 0.118 nan 4.420 nan 0.000 0.272 3 P C -0.891 176.671 177.300 0.437 0.000 1.230 3 P CA -0.037 63.195 63.100 0.219 0.000 0.788 3 P CB 0.618 32.449 31.700 0.218 0.000 0.949 4 I N 1.826 122.609 120.570 0.356 0.000 2.339 4 I HA 0.285 4.455 4.170 -0.001 0.000 0.290 4 I C 0.263 176.417 176.117 0.061 0.000 0.994 4 I CA -0.755 60.691 61.300 0.244 0.000 1.191 4 I CB 0.428 38.488 38.000 0.100 0.000 1.343 4 I HN 0.238 nan 8.210 nan 0.000 0.458 5 F N 7.081 126.759 119.950 -0.453 0.000 2.506 5 F HA 0.244 4.771 4.527 -0.001 0.000 0.351 5 F C 0.361 175.877 175.800 -0.473 0.000 1.136 5 F CA 0.298 57.681 58.000 -1.028 0.000 1.298 5 F CB 0.427 38.576 39.000 -1.418 0.000 1.145 5 F HN 0.520 nan 8.300 nan 0.000 0.593 6 N N 4.519 122.459 118.700 -1.268 0.000 2.533 6 N HA 0.062 4.801 4.740 -0.001 0.000 0.289 6 N C -0.182 174.755 175.510 -0.954 0.000 1.103 6 N CA -0.328 52.260 53.050 -0.769 0.000 0.877 6 N CB 1.339 39.576 38.487 -0.417 0.000 1.419 6 N HN 0.875 nan 8.380 nan 0.000 0.517 7 D N 2.928 122.993 120.400 -0.558 0.000 2.178 7 D HA -0.162 4.478 4.640 -0.001 0.000 0.201 7 D C 1.734 177.981 176.300 -0.088 0.000 0.980 7 D CA 1.391 55.258 54.000 -0.221 0.000 0.842 7 D CB 0.444 41.294 40.800 0.084 0.000 0.948 7 D HN 0.575 nan 8.370 nan 0.000 0.472 8 K N 0.386 120.713 120.400 -0.123 0.000 2.062 8 K HA -0.213 4.106 4.320 -0.001 0.000 0.205 8 K C 2.168 178.707 176.600 -0.101 0.000 1.051 8 K CA 1.126 57.371 56.287 -0.069 0.000 0.941 8 K CB -0.279 32.181 32.500 -0.067 0.000 0.719 8 K HN 0.285 nan 8.250 nan 0.000 0.440 9 Q N -0.177 119.519 119.800 -0.174 0.000 2.135 9 Q HA -0.201 4.139 4.340 -0.001 0.000 0.204 9 Q C 2.005 177.922 176.000 -0.138 0.000 0.981 9 Q CA 1.542 57.244 55.803 -0.168 0.000 0.856 9 Q CB -0.247 28.372 28.738 -0.199 0.000 0.902 9 Q HN 0.399 nan 8.270 nan 0.000 0.425 10 F N 1.196 120.966 119.950 -0.300 0.000 2.146 10 F HA -0.165 4.362 4.527 -0.001 0.000 0.298 10 F C 2.208 177.979 175.800 -0.047 0.000 1.096 10 F CA 1.470 59.375 58.000 -0.158 0.000 1.275 10 F CB -0.069 38.875 39.000 -0.093 0.000 1.008 10 F HN 0.104 nan 8.300 nan 0.000 0.480 11 Q N 0.382 120.169 119.800 -0.021 0.000 2.119 11 Q HA -0.176 4.164 4.340 -0.001 0.000 0.201 11 Q C 2.092 177.999 176.000 -0.155 0.000 0.972 11 Q CA 1.670 57.445 55.803 -0.046 0.000 0.847 11 Q CB -0.446 28.373 28.738 0.135 0.000 0.903 11 Q HN 0.605 nan 8.270 nan 0.000 0.433 12 E N 0.964 121.070 120.200 -0.157 0.000 2.072 12 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 12 E C 2.001 178.425 176.600 -0.292 0.000 0.985 12 E CA 0.970 57.254 56.400 -0.195 0.000 0.801 12 E CB -0.089 29.520 29.700 -0.151 0.000 0.750 12 E HN 0.327 nan 8.360 nan 0.000 0.452 13 A N 1.137 123.775 122.820 -0.303 0.000 1.902 13 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 13 A C 2.167 179.480 177.584 -0.451 0.000 1.181 13 A CA 1.076 52.914 52.037 -0.332 0.000 0.623 13 A CB -0.554 18.288 19.000 -0.264 0.000 0.818 13 A HN 0.230 nan 8.150 nan 0.000 0.443 14 L N 0.730 121.617 121.223 -0.559 0.000 2.046 14 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 14 L C 2.762 179.260 176.870 -0.621 0.000 1.077 14 L CA 2.749 57.248 54.840 -0.568 0.000 0.747 14 L CB -0.523 41.158 42.059 -0.630 0.000 0.896 14 L HN 0.506 nan 8.230 nan 0.000 0.432 15 S N -1.191 114.113 115.700 -0.660 0.000 2.428 15 S HA -0.141 4.329 4.470 -0.001 0.000 0.230 15 S C 2.106 175.944 174.600 -1.270 0.000 1.014 15 S CA 0.475 57.896 58.200 -1.300 0.000 0.957 15 S CB -0.546 62.212 63.200 -0.736 0.000 0.784 15 S HN 0.495 nan 8.310 nan 0.000 0.499 16 R N 0.875 120.925 120.500 -0.750 0.000 2.117 16 R HA -0.081 4.259 4.340 -0.001 0.000 0.243 16 R C 2.603 178.518 176.300 -0.642 0.000 1.143 16 R CA 1.775 57.520 56.100 -0.593 0.000 0.968 16 R CB -0.302 29.755 30.300 -0.404 0.000 0.863 16 R HN 0.534 nan 8.270 nan 0.000 0.444 17 Q N -0.188 119.195 119.800 -0.695 0.000 2.062 17 Q HA -0.152 4.188 4.340 -0.001 0.000 0.196 17 Q C 2.094 177.495 176.000 -0.998 0.000 0.967 17 Q CA 1.403 56.741 55.803 -0.775 0.000 0.832 17 Q CB -0.460 27.892 28.738 -0.644 0.000 0.899 17 Q HN 0.645 nan 8.270 nan 0.000 0.442 18 W N 1.214 122.098 121.300 -0.692 0.000 2.425 18 W HA -0.039 4.621 4.660 -0.001 0.000 0.277 18 W C 1.314 177.600 176.519 -0.389 0.000 1.231 18 W CA 0.464 57.469 57.345 -0.567 0.000 1.248 18 W CB -0.655 28.566 29.460 -0.399 0.000 1.117 18 W HN 0.198 nan 8.180 nan 0.000 0.568 19 Q N 0.944 120.464 119.800 -0.468 0.000 2.084 19 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 19 Q C 2.489 178.357 176.000 -0.221 0.000 0.978 19 Q CA 1.877 57.504 55.803 -0.294 0.000 0.844 19 Q CB -0.408 28.033 28.738 -0.496 0.000 0.898 19 Q HN 0.241 nan 8.270 nan 0.000 0.426 20 R N -0.252 120.034 120.500 -0.357 0.000 2.120 20 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 20 R C 1.156 177.433 176.300 -0.038 0.000 1.123 20 R CA 1.102 57.057 56.100 -0.242 0.000 0.975 20 R CB 0.092 30.207 30.300 -0.309 0.000 0.866 20 R HN 0.306 nan 8.270 nan 0.000 0.446 21 Y N -0.417 119.850 120.300 -0.056 0.000 2.578 21 Y HA 0.247 4.796 4.550 -0.001 0.000 0.297 21 Y C 1.368 177.263 175.900 -0.008 0.000 1.176 21 Y CA 0.128 58.209 58.100 -0.032 0.000 1.315 21 Y CB -0.517 37.922 38.460 -0.035 0.000 1.031 21 Y HN 0.230 nan 8.280 nan 0.000 0.524 22 G N 0.989 109.855 108.800 0.110 0.000 2.314 22 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.292 22 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.292 22 G C -0.227 174.733 174.900 0.100 0.000 1.059 22 G CA 0.143 45.292 45.100 0.081 0.000 0.982 22 G HN 0.321 nan 8.290 nan 0.000 0.505 23 L N -0.866 120.446 121.223 0.149 0.000 2.358 23 L HA 0.477 4.816 4.340 -0.001 0.000 0.268 23 L C 1.267 178.221 176.870 0.141 0.000 1.032 23 L CA -1.280 53.629 54.840 0.116 0.000 0.805 23 L CB 0.958 43.078 42.059 0.101 0.000 1.253 23 L HN 0.028 nan 8.230 nan 0.000 0.452 24 N N -0.112 118.588 118.700 -0.000 0.000 2.422 24 N HA 0.014 4.753 4.740 -0.001 0.000 0.181 24 N C -0.171 175.126 175.510 -0.355 0.000 1.080 24 N CA 0.352 53.378 53.050 -0.039 0.000 0.893 24 N CB 0.550 39.010 38.487 -0.046 0.000 0.973 24 N HN 0.678 nan 8.380 nan 0.000 0.456 25 S N -2.332 112.921 115.700 -0.745 0.000 2.611 25 S HA 0.524 4.993 4.470 -0.001 0.000 0.270 25 S C 0.451 174.233 174.600 -1.364 0.000 1.131 25 S CA -0.269 57.080 58.200 -1.418 0.000 0.826 25 S CB 0.951 63.763 63.200 -0.647 0.000 1.095 25 S HN -0.025 nan 8.310 nan 0.000 0.461 26 A N 1.319 123.175 122.820 -1.607 0.000 1.978 26 A HA 0.226 4.545 4.320 -0.001 0.000 0.220 26 A C 2.266 179.585 177.584 -0.442 0.000 1.170 26 A CA 2.245 53.661 52.037 -1.035 0.000 0.636 26 A CB -1.520 17.074 19.000 -0.676 0.000 0.810 26 A HN 1.798 nan 8.150 nan 0.000 0.448 27 A N -0.316 122.399 122.820 -0.174 0.000 2.067 27 A HA -0.107 4.213 4.320 -0.001 0.000 0.219 27 A C 1.772 179.378 177.584 0.036 0.000 1.158 27 A CA 1.362 53.452 52.037 0.089 0.000 0.661 27 A CB -0.417 18.622 19.000 0.065 0.000 0.801 27 A HN 0.662 nan 8.150 nan 0.000 0.452 28 E N -0.545 119.592 120.200 -0.105 0.000 2.418 28 E HA 0.006 4.356 4.350 -0.001 0.000 0.197 28 E C 0.303 176.878 176.600 -0.042 0.000 1.026 28 E CA -0.054 56.306 56.400 -0.066 0.000 0.862 28 E CB -0.142 29.497 29.700 -0.102 0.000 0.799 28 E HN 0.634 nan 8.360 nan 0.000 0.518 29 M N 1.534 121.064 119.600 -0.117 0.000 2.248 29 M HA 0.017 4.496 4.480 -0.001 0.000 0.337 29 M C 0.753 177.096 176.300 0.071 0.000 1.121 29 M CA 0.143 55.361 55.300 -0.136 0.000 1.155 29 M CB 0.622 32.885 32.600 -0.563 0.000 1.514 29 M HN -0.017 nan 8.290 nan 0.000 0.452 30 T N -0.470 114.127 114.554 0.071 0.000 2.828 30 T HA 0.223 4.572 4.350 -0.001 0.000 0.290 30 T C -2.124 172.731 174.700 0.259 0.000 1.019 30 T CA -1.581 60.601 62.100 0.136 0.000 1.031 30 T CB 0.524 69.429 68.868 0.061 0.000 1.001 30 T HN 0.387 nan 8.240 nan 0.000 0.531 31 P HA -0.091 nan 4.420 nan 0.000 0.216 31 P C 1.747 179.223 177.300 0.294 0.000 1.153 31 P CA 0.988 64.254 63.100 0.277 0.000 0.858 31 P CB 0.049 31.848 31.700 0.165 0.000 0.789 32 R N -0.190 120.430 120.500 0.200 0.000 2.073 32 R HA -0.179 4.160 4.340 -0.001 0.000 0.234 32 R C 2.383 178.813 176.300 0.216 0.000 1.134 32 R CA 1.660 57.885 56.100 0.208 0.000 0.952 32 R CB -0.512 29.843 30.300 0.091 0.000 0.850 32 R HN 0.214 nan 8.270 nan 0.000 0.433 33 Q N -1.003 118.851 119.800 0.090 0.000 2.096 33 Q HA -0.237 4.103 4.340 -0.001 0.000 0.204 33 Q C 1.816 177.894 176.000 0.130 0.000 0.982 33 Q CA 2.095 57.899 55.803 0.002 0.000 0.850 33 Q CB -0.214 28.460 28.738 -0.106 0.000 0.901 33 Q HN 0.472 nan 8.270 nan 0.000 0.422 34 W N -0.614 120.761 121.300 0.126 0.000 2.338 34 W HA -0.235 4.425 4.660 -0.001 0.000 0.304 34 W C 2.031 178.618 176.519 0.113 0.000 1.212 34 W CA 0.826 58.236 57.345 0.108 0.000 1.264 34 W CB -0.410 29.109 29.460 0.099 0.000 1.142 34 W HN 0.366 nan 8.180 nan 0.000 0.512 35 W N 0.359 121.836 121.300 0.294 0.000 2.363 35 W HA -0.161 4.498 4.660 -0.001 0.000 0.296 35 W C 1.827 178.416 176.519 0.115 0.000 1.212 35 W CA 1.776 59.235 57.345 0.191 0.000 1.260 35 W CB -0.676 28.873 29.460 0.149 0.000 1.131 35 W HN -0.201 nan 8.180 nan 0.000 0.530 36 L N 0.432 121.558 121.223 -0.162 0.000 2.044 36 L HA -0.119 4.220 4.340 -0.001 0.000 0.205 36 L C 2.796 179.473 176.870 -0.321 0.000 1.075 36 L CA 1.397 55.987 54.840 -0.416 0.000 0.747 36 L CB -1.384 40.618 42.059 -0.096 0.000 0.903 36 L HN 0.062 nan 8.230 nan 0.000 0.435 37 A N -0.294 122.467 122.820 -0.098 0.000 1.858 37 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 37 A C 2.327 179.778 177.584 -0.222 0.000 1.190 37 A CA 1.954 53.892 52.037 -0.166 0.000 0.617 37 A CB -0.934 17.960 19.000 -0.177 0.000 0.827 37 A HN 0.178 nan 8.150 nan 0.000 0.443 38 V N -0.011 119.842 119.914 -0.102 0.000 2.407 38 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 38 V C 2.792 178.809 176.094 -0.128 0.000 1.055 38 V CA 2.299 64.611 62.300 0.019 0.000 1.049 38 V CB -0.684 31.281 31.823 0.237 0.000 0.662 38 V HN 0.573 nan 8.190 nan 0.000 0.455 39 S N -0.699 114.751 115.700 -0.417 0.000 2.368 39 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 39 S C 1.940 176.033 174.600 -0.845 0.000 1.029 39 S CA 1.169 58.962 58.200 -0.678 0.000 0.988 39 S CB -0.225 62.335 63.200 -1.066 0.000 0.838 39 S HN 0.625 nan 8.310 nan 0.000 0.462 40 E N 1.428 121.240 120.200 -0.646 0.000 2.106 40 E HA -0.046 4.304 4.350 -0.001 0.000 0.192 40 E C 2.424 178.789 176.600 -0.391 0.000 0.984 40 E CA 0.901 56.982 56.400 -0.532 0.000 0.806 40 E CB -0.332 29.147 29.700 -0.369 0.000 0.750 40 E HN 0.467 nan 8.360 nan 0.000 0.458 41 A N 1.714 124.340 122.820 -0.323 0.000 1.873 41 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 41 A C 2.331 179.872 177.584 -0.070 0.000 1.193 41 A CA 1.424 53.325 52.037 -0.227 0.000 0.629 41 A CB -0.886 17.930 19.000 -0.308 0.000 0.826 41 A HN 0.164 nan 8.150 nan 0.000 0.447 42 L N -0.986 120.225 121.223 -0.021 0.000 2.083 42 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 42 L C 3.048 179.934 176.870 0.026 0.000 1.083 42 L CA 1.045 55.982 54.840 0.162 0.000 0.752 42 L CB -0.515 41.719 42.059 0.293 0.000 0.899 42 L HN 0.445 nan 8.230 nan 0.000 0.433 43 A N -0.468 122.097 122.820 -0.424 0.000 1.930 43 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 43 A C 2.220 179.787 177.584 -0.029 0.000 1.175 43 A CA 1.429 53.319 52.037 -0.245 0.000 0.627 43 A CB -0.354 18.352 19.000 -0.490 0.000 0.815 43 A HN 0.406 nan 8.150 nan 0.000 0.443 44 E N -0.633 119.515 120.200 -0.087 0.000 2.031 44 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 44 E C 2.088 178.711 176.600 0.039 0.000 0.994 44 E CA 1.552 57.928 56.400 -0.040 0.000 0.800 44 E CB -0.219 29.422 29.700 -0.098 0.000 0.752 44 E HN 0.659 nan 8.360 nan 0.000 0.447 45 M N 0.143 119.804 119.600 0.101 0.000 2.082 45 M HA -0.213 4.266 4.480 -0.001 0.000 0.258 45 M C 2.411 178.872 176.300 0.270 0.000 1.069 45 M CA 1.113 56.540 55.300 0.210 0.000 1.102 45 M CB -0.272 32.541 32.600 0.354 0.000 1.336 45 M HN 0.167 nan 8.290 nan 0.000 0.404 46 L N 0.412 121.798 121.223 0.271 0.000 2.046 46 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 46 L C 2.332 179.288 176.870 0.143 0.000 1.077 46 L CA 1.894 56.853 54.840 0.199 0.000 0.747 46 L CB -0.347 41.837 42.059 0.209 0.000 0.896 46 L HN 0.147 nan 8.230 nan 0.000 0.432 47 R N -0.715 119.857 120.500 0.120 0.000 2.236 47 R HA 0.100 4.439 4.340 -0.001 0.000 0.208 47 R C 1.951 178.291 176.300 0.066 0.000 1.036 47 R CA 0.700 56.850 56.100 0.083 0.000 1.001 47 R CB -0.346 29.988 30.300 0.057 0.000 0.896 47 R HN 0.460 nan 8.270 nan 0.000 0.464 48 A N 0.805 123.668 122.820 0.072 0.000 2.208 48 A HA 0.004 4.323 4.320 -0.001 0.000 0.209 48 A C 0.530 178.160 177.584 0.077 0.000 1.161 48 A CA 0.238 52.309 52.037 0.057 0.000 0.782 48 A CB 0.146 19.169 19.000 0.038 0.000 0.816 48 A HN 0.079 nan 8.150 nan 0.000 0.477 49 Q N 1.216 121.080 119.800 0.107 0.000 2.392 49 Q HA 0.272 4.612 4.340 -0.001 0.000 0.262 49 Q C -2.208 173.851 176.000 0.098 0.000 1.003 49 Q CA -1.745 54.124 55.803 0.110 0.000 0.888 49 Q CB -0.156 28.652 28.738 0.116 0.000 1.260 49 Q HN 0.309 nan 8.270 nan 0.000 0.435 50 P HA -0.009 nan 4.420 nan 0.000 0.267 50 P C -0.437 176.948 177.300 0.142 0.000 1.200 50 P CA -0.193 62.970 63.100 0.106 0.000 0.772 50 P CB 0.267 32.012 31.700 0.076 0.000 0.855 51 F N 2.207 122.159 119.950 0.003 0.000 2.541 51 F HA 0.306 4.833 4.527 -0.001 0.000 0.378 51 F C 0.271 176.071 175.800 -0.001 0.000 1.068 51 F CA -0.424 57.575 58.000 -0.001 0.000 1.199 51 F CB 0.132 39.129 39.000 -0.005 0.000 1.091 51 F HN 0.402 nan 8.300 nan 0.000 0.555 52 A N 7.568 130.092 122.820 -0.494 0.000 2.276 52 A HA 0.365 4.684 4.320 -0.001 0.000 0.300 52 A C -0.124 176.893 177.584 -0.944 0.000 1.235 52 A CA -0.853 50.884 52.037 -0.499 0.000 0.867 52 A CB 0.132 18.952 19.000 -0.299 0.000 1.137 52 A HN 0.776 nan 8.150 nan 0.000 0.527 53 K N 3.426 123.466 120.400 -0.600 0.000 2.382 53 K HA 0.290 4.609 4.320 -0.001 0.000 0.275 53 K C -2.148 174.291 176.600 -0.268 0.000 1.009 53 K CA -1.053 54.982 56.287 -0.419 0.000 0.970 53 K CB 0.246 32.719 32.500 -0.044 0.000 0.934 53 K HN 0.576 nan 8.250 nan 0.000 0.479 54 P HA 0.077 nan 4.420 nan 0.000 0.277 54 P C -0.273 177.019 177.300 -0.014 0.000 1.271 54 P CA -0.604 62.456 63.100 -0.067 0.000 0.795 54 P CB 0.424 32.121 31.700 -0.005 0.000 1.101 55 V N 0.001 119.914 119.914 -0.001 0.000 2.814 55 V HA 0.181 4.300 4.120 -0.001 0.000 0.307 55 V C 1.058 177.174 176.094 0.038 0.000 1.089 55 V CA 0.481 62.791 62.300 0.017 0.000 1.212 55 V CB -0.413 31.423 31.823 0.021 0.000 0.912 55 V HN 0.821 nan 8.190 nan 0.000 0.497 56 A N 3.306 126.149 122.820 0.039 0.000 2.256 56 A HA 0.592 4.911 4.320 -0.001 0.000 0.318 56 A C 0.765 178.378 177.584 0.049 0.000 1.103 56 A CA -0.324 51.744 52.037 0.052 0.000 0.860 56 A CB -0.118 18.909 19.000 0.046 0.000 1.182 56 A HN 1.060 nan 8.150 nan 0.000 0.501 57 N N -0.811 117.922 118.700 0.056 0.000 2.678 57 N HA -0.185 4.555 4.740 -0.001 0.000 0.249 57 N C -0.463 175.068 175.510 0.035 0.000 1.119 57 N CA 1.470 54.546 53.050 0.042 0.000 0.718 57 N CB -1.020 37.480 38.487 0.022 0.000 1.060 57 N HN 0.717 nan 8.380 nan 0.000 0.552 58 Q N 0.065 119.901 119.800 0.059 0.000 2.266 58 Q HA 0.365 4.705 4.340 -0.001 0.000 0.261 58 Q C 0.003 176.049 176.000 0.077 0.000 0.985 58 Q CA -0.876 54.963 55.803 0.060 0.000 0.873 58 Q CB 1.539 30.319 28.738 0.071 0.000 1.306 58 Q HN 0.195 nan 8.270 nan 0.000 0.447 59 R N 1.300 121.835 120.500 0.059 0.000 2.538 59 R HA -0.030 4.309 4.340 -0.001 0.000 0.282 59 R C -0.086 176.268 176.300 0.090 0.000 1.009 59 R CA 0.091 56.237 56.100 0.076 0.000 1.063 59 R CB 0.029 30.356 30.300 0.044 0.000 0.945 59 R HN 0.523 nan 8.270 nan 0.000 0.414 60 H N 1.700 120.789 119.070 0.031 0.000 2.886 60 H HA 0.086 4.641 4.556 -0.001 0.000 0.329 60 H C -0.615 174.662 175.328 -0.084 0.000 1.044 60 H CA 0.039 56.085 56.048 -0.004 0.000 1.456 60 H CB 0.627 30.412 29.762 0.039 0.000 1.464 60 H HN 0.169 nan 8.280 nan 0.000 0.573 61 V N 6.473 126.049 119.914 -0.563 0.000 2.383 61 V HA 0.136 4.255 4.120 -0.001 0.000 0.275 61 V C -0.112 175.743 176.094 -0.398 0.000 1.036 61 V CA -0.795 61.160 62.300 -0.575 0.000 0.889 61 V CB 1.047 32.333 31.823 -0.895 0.000 0.985 61 V HN 0.845 nan 8.190 nan 0.000 0.459 62 N N 4.302 122.927 118.700 -0.126 0.000 2.546 62 N HA 0.231 4.971 4.740 -0.001 0.000 0.238 62 N C -1.151 174.455 175.510 0.159 0.000 0.984 62 N CA -0.303 52.838 53.050 0.151 0.000 0.935 62 N CB 1.488 40.150 38.487 0.291 0.000 1.122 62 N HN 0.691 nan 8.380 nan 0.000 0.510 63 Y N 3.096 123.457 120.300 0.103 0.000 2.454 63 Y HA 0.390 4.939 4.550 -0.001 0.000 0.345 63 Y C -0.112 176.009 175.900 0.368 0.000 0.970 63 Y CA -0.581 57.622 58.100 0.172 0.000 1.204 63 Y CB 0.368 38.922 38.460 0.156 0.000 1.122 63 Y HN 0.364 nan 8.280 nan 0.000 0.514 64 I N 4.987 125.621 120.570 0.106 0.000 2.312 64 I HA 0.324 4.493 4.170 -0.001 0.000 0.290 64 I C -0.130 176.081 176.117 0.156 0.000 1.008 64 I CA -0.387 61.077 61.300 0.273 0.000 1.226 64 I CB 1.184 39.317 38.000 0.222 0.000 1.371 64 I HN 0.436 nan 8.210 nan 0.000 0.468 65 S N 5.967 121.816 115.700 0.247 0.000 2.548 65 S HA 0.433 4.903 4.470 -0.001 0.000 0.276 65 S C 0.617 175.284 174.600 0.112 0.000 1.129 65 S CA -0.716 57.509 58.200 0.043 0.000 0.931 65 S CB 1.759 64.746 63.200 -0.354 0.000 1.068 65 S HN 0.665 nan 8.310 nan 0.000 0.480 66 M N 2.410 122.094 119.600 0.140 0.000 2.460 66 M HA 0.009 4.488 4.480 -0.001 0.000 0.263 66 M C 0.332 176.688 176.300 0.093 0.000 1.071 66 M CA 1.197 56.573 55.300 0.126 0.000 1.096 66 M CB -0.484 32.088 32.600 -0.047 0.000 1.408 66 M HN 0.726 nan 8.290 nan 0.000 0.463 67 E N -1.159 119.015 120.200 -0.043 0.000 2.408 67 E HA 0.527 4.877 4.350 -0.001 0.000 0.275 67 E C -1.370 175.084 176.600 -0.243 0.000 0.935 67 E CA -0.792 55.595 56.400 -0.022 0.000 0.775 67 E CB 1.451 31.087 29.700 -0.107 0.000 1.277 67 E HN -0.019 nan 8.360 nan 0.000 0.455 68 F N 1.397 121.388 119.950 0.068 0.000 2.902 68 F HA 0.254 4.781 4.527 -0.000 0.000 0.368 68 F C -0.963 174.818 175.800 -0.033 0.000 1.202 68 F CA -0.811 57.208 58.000 0.031 0.000 1.109 68 F CB 1.666 40.689 39.000 0.038 0.000 1.418 68 F HN 0.363 nan 8.300 nan 0.000 0.527 69 L N 6.042 127.308 121.223 0.072 0.000 2.387 69 L HA 0.354 4.693 4.340 -0.001 0.000 0.267 69 L C 1.065 177.947 176.870 0.020 0.000 1.197 69 L CA 0.278 55.120 54.840 0.003 0.000 1.070 69 L CB -0.299 41.749 42.059 -0.018 0.000 1.349 69 L HN 0.669 nan 8.230 nan 0.000 0.422 70 I N 0.568 121.129 120.570 -0.015 0.000 2.876 70 I HA 0.395 4.564 4.170 -0.001 0.000 0.264 70 I C 1.182 177.249 176.117 -0.083 0.000 1.204 70 I CA 0.343 61.621 61.300 -0.037 0.000 1.485 70 I CB -0.840 37.114 38.000 -0.077 0.000 1.103 70 I HN 0.608 nan 8.210 nan 0.000 0.446 71 G N 1.917 110.654 108.800 -0.106 0.000 2.860 71 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.553 71 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.553 71 G C -0.371 174.474 174.900 -0.092 0.000 1.439 71 G CA -0.464 44.568 45.100 -0.113 0.000 0.879 71 G HN 0.564 nan 8.290 nan 0.000 0.545 72 R N -0.543 119.924 120.500 -0.055 0.000 2.537 72 R HA 0.178 4.518 4.340 -0.001 0.000 0.281 72 R C 1.412 177.731 176.300 0.031 0.000 0.988 72 R CA 0.336 56.462 56.100 0.042 0.000 1.077 72 R CB 0.170 30.494 30.300 0.041 0.000 0.932 72 R HN 0.449 nan 8.270 nan 0.000 0.409 73 L N 1.660 122.953 121.223 0.116 0.000 2.515 73 L HA -0.005 4.334 4.340 -0.001 0.000 0.223 73 L C 1.849 178.663 176.870 -0.093 0.000 1.079 73 L CA 0.475 55.265 54.840 -0.083 0.000 0.857 73 L CB 0.048 41.952 42.059 -0.258 0.000 1.050 73 L HN 0.723 nan 8.230 nan 0.000 0.476 74 T N 0.131 114.834 114.554 0.248 0.000 2.737 74 T HA -0.109 4.240 4.350 -0.001 0.000 0.265 74 T C 1.897 176.729 174.700 0.220 0.000 1.038 74 T CA 1.559 63.903 62.100 0.406 0.000 1.144 74 T CB -0.418 68.858 68.868 0.680 0.000 0.866 74 T HN 0.501 nan 8.240 nan 0.000 0.434 75 G N 1.514 110.433 108.800 0.199 0.000 2.480 75 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.216 75 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.216 75 G C 1.483 176.446 174.900 0.105 0.000 1.200 75 G CA 1.406 46.618 45.100 0.187 0.000 0.782 75 G HN 0.569 nan 8.290 nan 0.000 0.554 76 N N 0.927 119.625 118.700 -0.003 0.000 2.061 76 N HA -0.161 4.579 4.740 -0.001 0.000 0.193 76 N C 2.030 177.477 175.510 -0.105 0.000 1.030 76 N CA 1.907 54.910 53.050 -0.080 0.000 0.856 76 N CB -0.250 38.148 38.487 -0.148 0.000 1.023 76 N HN 0.206 nan 8.380 nan 0.000 0.424 77 N N 0.000 118.591 118.700 -0.182 0.000 2.188 77 N HA -0.061 4.678 4.740 -0.001 0.000 0.184 77 N C 1.635 177.050 175.510 -0.159 0.000 1.018 77 N CA 0.743 53.625 53.050 -0.280 0.000 0.858 77 N CB -0.332 37.791 38.487 -0.606 0.000 0.989 77 N HN 0.325 nan 8.380 nan 0.000 0.426 78 L N 0.436 121.651 121.223 -0.013 0.000 2.017 78 L HA -0.107 4.233 4.340 -0.001 0.000 0.208 78 L C 2.346 179.257 176.870 0.069 0.000 1.073 78 L CA 0.736 55.612 54.840 0.059 0.000 0.745 78 L CB -0.482 41.661 42.059 0.140 0.000 0.894 78 L HN 0.169 nan 8.230 nan 0.000 0.432 79 L N -0.181 121.114 121.223 0.119 0.000 2.012 79 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 79 L C 2.404 179.285 176.870 0.019 0.000 1.073 79 L CA 1.674 56.563 54.840 0.081 0.000 0.748 79 L CB -0.438 41.646 42.059 0.042 0.000 0.891 79 L HN 0.338 nan 8.230 nan 0.000 0.431 80 N N -0.096 118.586 118.700 -0.029 0.000 2.223 80 N HA -0.162 4.577 4.740 -0.001 0.000 0.185 80 N C 1.873 177.229 175.510 -0.256 0.000 1.016 80 N CA 1.574 54.582 53.050 -0.069 0.000 0.863 80 N CB -0.182 38.260 38.487 -0.076 0.000 0.983 80 N HN 0.445 nan 8.380 nan 0.000 0.429 81 L N -0.466 120.556 121.223 -0.336 0.000 2.209 81 L HA 0.085 4.425 4.340 -0.001 0.000 0.207 81 L C 1.171 177.827 176.870 -0.358 0.000 1.094 81 L CA 0.560 55.063 54.840 -0.562 0.000 0.790 81 L CB -0.151 41.219 42.059 -1.148 0.000 0.932 81 L HN 0.216 nan 8.230 nan 0.000 0.447 82 G N -1.714 106.998 108.800 -0.147 0.000 2.164 82 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.212 82 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.212 82 G C -0.079 174.993 174.900 0.287 0.000 1.031 82 G CA -0.163 44.965 45.100 0.046 0.000 0.730 82 G HN 0.283 nan 8.290 nan 0.000 0.501 83 W N -0.942 120.328 121.300 -0.049 0.000 3.008 83 W HA 0.413 5.073 4.660 -0.000 0.000 0.355 83 W C 1.529 177.915 176.519 -0.222 0.000 1.095 83 W CA -0.754 56.483 57.345 -0.181 0.000 1.738 83 W CB -0.785 28.584 29.460 -0.150 0.000 1.091 83 W HN 0.358 nan 8.180 nan 0.000 0.574 84 Y N 1.983 122.298 120.300 0.027 0.000 2.145 84 Y HA -0.308 4.242 4.550 -0.001 0.000 0.286 84 Y C 2.597 178.443 175.900 -0.090 0.000 1.145 84 Y CA 2.735 60.822 58.100 -0.022 0.000 1.148 84 Y CB -0.560 37.899 38.460 -0.002 0.000 0.981 84 Y HN -0.023 nan 8.280 nan 0.000 0.507 85 Q N 0.444 120.373 119.800 0.215 0.000 2.119 85 Q HA -0.157 4.183 4.340 -0.001 0.000 0.201 85 Q C 1.773 177.707 176.000 -0.110 0.000 0.972 85 Q CA 2.095 57.953 55.803 0.092 0.000 0.847 85 Q CB -0.350 28.430 28.738 0.069 0.000 0.903 85 Q HN 0.486 nan 8.270 nan 0.000 0.433 86 D N -0.857 119.384 120.400 -0.264 0.000 2.104 86 D HA -0.141 4.499 4.640 -0.001 0.000 0.194 86 D C 1.828 177.712 176.300 -0.693 0.000 0.994 86 D CA 1.492 55.170 54.000 -0.537 0.000 0.830 86 D CB -0.076 40.113 40.800 -1.018 0.000 0.959 86 D HN 0.174 nan 8.370 nan 0.000 0.452 87 V N 0.798 120.254 119.914 -0.763 0.000 2.427 87 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 87 V C 2.585 178.459 176.094 -0.367 0.000 1.051 87 V CA 1.448 63.341 62.300 -0.678 0.000 1.048 87 V CB -0.483 31.002 31.823 -0.563 0.000 0.666 87 V HN 0.169 nan 8.190 nan 0.000 0.456 88 Q N -0.324 119.306 119.800 -0.284 0.000 2.124 88 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 88 Q C 1.895 177.848 176.000 -0.078 0.000 0.977 88 Q CA 1.864 57.578 55.803 -0.149 0.000 0.850 88 Q CB -0.038 28.660 28.738 -0.068 0.000 0.901 88 Q HN 0.633 nan 8.270 nan 0.000 0.429 89 D N -0.583 119.763 120.400 -0.089 0.000 2.117 89 D HA -0.089 4.551 4.640 -0.001 0.000 0.198 89 D C 1.898 178.198 176.300 -0.001 0.000 0.982 89 D CA 1.050 55.026 54.000 -0.040 0.000 0.828 89 D CB -0.207 40.567 40.800 -0.044 0.000 0.967 89 D HN 0.094 nan 8.370 nan 0.000 0.464 90 S N 0.002 115.690 115.700 -0.020 0.000 2.419 90 S HA -0.009 4.461 4.470 -0.001 0.000 0.233 90 S C 1.846 176.614 174.600 0.279 0.000 1.016 90 S CA 0.401 58.678 58.200 0.127 0.000 0.974 90 S CB 0.021 63.279 63.200 0.097 0.000 0.786 90 S HN 0.236 nan 8.310 nan 0.000 0.492 91 L N 0.497 121.836 121.223 0.194 0.000 2.592 91 L HA 0.160 4.500 4.340 -0.001 0.000 0.227 91 L C 2.006 178.972 176.870 0.161 0.000 1.127 91 L CA 0.129 55.139 54.840 0.284 0.000 0.884 91 L CB -0.045 42.079 42.059 0.107 0.000 1.065 91 L HN 0.081 nan 8.230 nan 0.000 0.457 92 K N 0.817 121.267 120.400 0.084 0.000 2.025 92 K HA -0.072 4.247 4.320 -0.001 0.000 0.207 92 K C 2.166 178.770 176.600 0.007 0.000 1.049 92 K CA 1.409 57.712 56.287 0.027 0.000 0.933 92 K CB -0.252 32.253 32.500 0.008 0.000 0.714 92 K HN 0.258 nan 8.250 nan 0.000 0.438 93 A N 0.475 123.274 122.820 -0.036 0.000 2.139 93 A HA -0.175 4.145 4.320 -0.001 0.000 0.221 93 A C 1.356 178.787 177.584 -0.255 0.000 1.159 93 A CA 1.355 53.285 52.037 -0.178 0.000 0.662 93 A CB -0.572 18.248 19.000 -0.301 0.000 0.796 93 A HN 0.334 nan 8.150 nan 0.000 0.463 94 Y N -0.586 119.746 120.300 0.053 0.000 2.458 94 Y HA 0.151 4.700 4.550 -0.001 0.000 0.256 94 Y C 0.103 175.975 175.900 -0.046 0.000 1.159 94 Y CA -0.317 57.819 58.100 0.059 0.000 1.261 94 Y CB 0.339 38.881 38.460 0.136 0.000 1.119 94 Y HN 0.353 nan 8.280 nan 0.000 0.524 95 D N 0.435 120.862 120.400 0.046 0.000 2.800 95 D HA -0.169 4.471 4.640 -0.001 0.000 0.232 95 D C -0.676 175.565 176.300 -0.097 0.000 1.137 95 D CA 0.634 54.623 54.000 -0.018 0.000 0.718 95 D CB -1.141 39.657 40.800 -0.003 0.000 1.084 95 D HN 0.173 nan 8.370 nan 0.000 0.432 96 I N 0.987 121.466 120.570 -0.151 0.000 2.406 96 I HA 0.189 4.358 4.170 -0.001 0.000 0.290 96 I C 0.708 176.732 176.117 -0.154 0.000 0.999 96 I CA -0.716 60.409 61.300 -0.291 0.000 1.124 96 I CB 1.560 39.175 38.000 -0.641 0.000 1.289 96 I HN -0.121 nan 8.210 nan 0.000 0.441 97 N N 4.225 122.855 118.700 -0.117 0.000 2.430 97 N HA 0.130 4.869 4.740 -0.001 0.000 0.265 97 N C 0.949 176.433 175.510 -0.042 0.000 1.100 97 N CA -0.397 52.620 53.050 -0.054 0.000 0.961 97 N CB 0.980 39.452 38.487 -0.026 0.000 1.075 97 N HN 0.532 nan 8.380 nan 0.000 0.478 98 L N 3.663 124.866 121.223 -0.033 0.000 2.056 98 L HA -0.087 4.252 4.340 -0.001 0.000 0.207 98 L C 1.857 178.745 176.870 0.031 0.000 1.078 98 L CA 1.903 56.719 54.840 -0.040 0.000 0.749 98 L CB -0.974 40.991 42.059 -0.156 0.000 0.901 98 L HN 0.668 nan 8.230 nan 0.000 0.433 99 T N -0.132 114.467 114.554 0.075 0.000 2.597 99 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 99 T C 1.495 176.244 174.700 0.081 0.000 1.053 99 T CA 1.951 64.116 62.100 0.109 0.000 1.165 99 T CB -0.433 68.498 68.868 0.104 0.000 0.863 99 T HN 0.409 nan 8.240 nan 0.000 0.427 100 D N 0.699 121.133 120.400 0.057 0.000 2.123 100 D HA -0.042 4.597 4.640 -0.001 0.000 0.196 100 D C 2.028 178.368 176.300 0.067 0.000 0.992 100 D CA 0.525 54.556 54.000 0.051 0.000 0.833 100 D CB -0.529 40.288 40.800 0.029 0.000 0.954 100 D HN 0.289 nan 8.370 nan 0.000 0.455 101 L N 0.162 121.430 121.223 0.075 0.000 2.046 101 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 101 L C 2.058 179.067 176.870 0.231 0.000 1.077 101 L CA 1.072 56.006 54.840 0.157 0.000 0.747 101 L CB -0.138 42.011 42.059 0.149 0.000 0.896 101 L HN 0.023 nan 8.230 nan 0.000 0.432 102 L N -0.260 121.080 121.223 0.195 0.000 2.265 102 L HA -0.172 4.168 4.340 -0.001 0.000 0.215 102 L C 2.379 179.278 176.870 0.048 0.000 1.117 102 L CA 0.947 55.911 54.840 0.206 0.000 0.782 102 L CB -0.606 41.562 42.059 0.181 0.000 0.914 102 L HN 0.371 nan 8.230 nan 0.000 0.441 103 E N -0.222 119.995 120.200 0.029 0.000 2.427 103 E HA -0.133 4.216 4.350 -0.001 0.000 0.196 103 E C 1.662 178.214 176.600 -0.080 0.000 1.028 103 E CA 0.278 56.671 56.400 -0.012 0.000 0.864 103 E CB 0.080 29.803 29.700 0.038 0.000 0.813 103 E HN 0.466 nan 8.360 nan 0.000 0.514 104 E N 1.245 121.365 120.200 -0.133 0.000 2.204 104 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 104 E C 0.689 176.968 176.600 -0.535 0.000 0.990 104 E CA 0.399 56.670 56.400 -0.216 0.000 0.821 104 E CB -0.072 29.604 29.700 -0.039 0.000 0.750 104 E HN 0.347 nan 8.360 nan 0.000 0.477 105 E N 1.089 120.764 120.200 -0.875 0.000 2.265 105 E HA 0.043 4.393 4.350 -0.001 0.000 0.272 105 E C -0.382 176.017 176.600 -0.334 0.000 1.067 105 E CA -0.196 55.607 56.400 -0.994 0.000 0.900 105 E CB 0.269 29.530 29.700 -0.731 0.000 1.017 105 E HN 0.005 nan 8.360 nan 0.000 0.431 106 I N 4.931 125.399 120.570 -0.169 0.000 2.517 106 I HA -0.052 4.117 4.170 -0.001 0.000 0.285 106 I C 0.049 176.192 176.117 0.043 0.000 1.106 106 I CA -0.232 61.078 61.300 0.016 0.000 1.402 106 I CB 0.361 38.449 38.000 0.148 0.000 1.399 106 I HN 0.510 nan 8.210 nan 0.000 0.535 107 D N 9.217 129.602 120.400 -0.025 0.000 2.658 107 D HA -0.028 4.612 4.640 -0.001 0.000 0.230 107 D C -2.268 173.893 176.300 -0.232 0.000 1.118 107 D CA -0.183 53.757 54.000 -0.100 0.000 0.848 107 D CB -0.018 40.708 40.800 -0.124 0.000 1.160 107 D HN 0.247 nan 8.370 nan 0.000 0.497 108 P HA 0.045 nan 4.420 nan 0.000 0.258 108 P C -0.745 175.911 177.300 -1.074 0.000 1.187 108 P CA 0.142 62.526 63.100 -1.193 0.000 0.767 108 P CB 0.516 31.544 31.700 -1.121 0.000 0.770 109 A N 4.629 126.590 122.820 -1.430 0.000 3.056 109 A HA 0.198 4.517 4.320 -0.001 0.000 0.274 109 A C 0.720 178.074 177.584 -0.384 0.000 1.661 109 A CA 0.028 51.710 52.037 -0.592 0.000 1.363 109 A CB -1.062 17.785 19.000 -0.256 0.000 1.139 109 A HN 0.609 nan 8.150 nan 0.000 0.598 110 L N 0.599 121.635 121.223 -0.313 0.000 2.858 110 L HA 0.387 4.726 4.340 -0.001 0.000 0.251 110 L C 1.020 177.913 176.870 0.039 0.000 1.149 110 L CA 0.353 55.163 54.840 -0.050 0.000 0.955 110 L CB 0.663 42.659 42.059 -0.106 0.000 1.289 110 L HN 0.684 nan 8.230 nan 0.000 0.542 111 G N -1.159 107.587 108.800 -0.090 0.000 2.600 111 G HA2 0.170 4.130 3.960 -0.001 0.000 0.293 111 G HA3 0.170 4.130 3.960 -0.001 0.000 0.293 111 G C -0.659 174.173 174.900 -0.115 0.000 1.408 111 G CA -0.177 44.864 45.100 -0.098 0.000 0.782 111 G HN -0.155 nan 8.290 nan 0.000 0.482 112 N N -1.808 116.861 118.700 -0.051 0.000 2.905 112 N HA 0.415 5.155 4.740 -0.001 0.000 0.237 112 N C 1.108 176.626 175.510 0.012 0.000 1.017 112 N CA 1.593 54.645 53.050 0.003 0.000 1.127 112 N CB 0.502 39.090 38.487 0.167 0.000 1.608 112 N HN 0.933 nan 8.380 nan 0.000 0.522 113 G N -1.402 107.422 108.800 0.041 0.000 3.310 113 G HA2 0.368 4.328 3.960 -0.001 0.000 0.174 113 G HA3 0.368 4.328 3.960 -0.001 0.000 0.174 113 G C 0.629 175.530 174.900 0.002 0.000 1.097 113 G CA 0.157 45.276 45.100 0.031 0.000 0.795 113 G HN 0.336 nan 8.290 nan 0.000 0.670 114 G N -0.119 108.676 108.800 -0.008 0.000 2.422 114 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.218 114 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.218 114 G C 1.740 176.593 174.900 -0.078 0.000 1.140 114 G CA 1.298 46.372 45.100 -0.044 0.000 0.775 114 G HN 0.396 nan 8.290 nan 0.000 0.545 115 L N 1.382 122.555 121.223 -0.082 0.000 2.046 115 L HA 0.162 4.502 4.340 -0.001 0.000 0.208 115 L C 2.766 179.560 176.870 -0.127 0.000 1.077 115 L CA 2.237 56.988 54.840 -0.147 0.000 0.747 115 L CB -0.782 41.198 42.059 -0.131 0.000 0.896 115 L HN 0.152 nan 8.230 nan 0.000 0.432 116 G N -1.393 107.357 108.800 -0.083 0.000 2.403 116 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.216 116 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.216 116 G C 1.735 176.590 174.900 -0.075 0.000 1.154 116 G CA 0.642 45.679 45.100 -0.103 0.000 0.784 116 G HN 0.298 nan 8.290 nan 0.000 0.538 117 R N -0.107 120.362 120.500 -0.051 0.000 2.119 117 R HA 0.185 4.525 4.340 -0.001 0.000 0.222 117 R C 2.268 178.531 176.300 -0.060 0.000 1.088 117 R CA 0.598 56.695 56.100 -0.004 0.000 0.984 117 R CB -0.793 29.518 30.300 0.019 0.000 0.884 117 R HN 0.327 nan 8.270 nan 0.000 0.447 118 L N 0.095 121.211 121.223 -0.178 0.000 2.017 118 L HA -0.010 4.330 4.340 -0.001 0.000 0.208 118 L C 2.061 178.614 176.870 -0.528 0.000 1.073 118 L CA 2.261 56.856 54.840 -0.407 0.000 0.745 118 L CB -0.820 40.982 42.059 -0.429 0.000 0.894 118 L HN 0.238 nan 8.230 nan 0.000 0.432 119 A N -0.852 121.779 122.820 -0.314 0.000 1.972 119 A HA -0.061 4.258 4.320 -0.001 0.000 0.219 119 A C 2.389 179.972 177.584 -0.002 0.000 1.169 119 A CA 1.615 53.509 52.037 -0.238 0.000 0.635 119 A CB -1.006 17.806 19.000 -0.313 0.000 0.810 119 A HN 0.572 nan 8.150 nan 0.000 0.446 120 A N -0.831 122.034 122.820 0.074 0.000 1.855 120 A HA -0.140 4.179 4.320 -0.001 0.000 0.215 120 A C 2.297 179.951 177.584 0.115 0.000 1.191 120 A CA 1.540 53.675 52.037 0.164 0.000 0.613 120 A CB -1.346 17.734 19.000 0.134 0.000 0.829 120 A HN 0.577 nan 8.150 nan 0.000 0.442 121 C N -1.200 118.167 119.300 0.113 0.000 2.401 121 C HA -0.146 4.313 4.460 -0.001 0.000 0.276 121 C C 2.476 177.643 174.990 0.296 0.000 1.233 121 C CA 0.924 60.061 59.018 0.197 0.000 1.753 121 C CB -1.672 26.203 27.740 0.225 0.000 2.029 121 C HN 0.595 nan 8.230 nan 0.000 0.478 122 F N 0.894 120.852 119.950 0.014 0.000 2.113 122 F HA -0.035 4.491 4.527 -0.002 0.000 0.297 122 F C 2.287 178.049 175.800 -0.063 0.000 1.103 122 F CA 0.900 58.876 58.000 -0.040 0.000 1.248 122 F CB -1.516 37.363 39.000 -0.202 0.000 0.999 122 F HN 0.185 nan 8.300 nan 0.000 0.475 123 L N -0.122 121.170 121.223 0.115 0.000 2.013 123 L HA -0.279 4.060 4.340 -0.001 0.000 0.212 123 L C 2.428 179.316 176.870 0.030 0.000 1.073 123 L CA 2.057 56.919 54.840 0.037 0.000 0.753 123 L CB -0.799 41.277 42.059 0.027 0.000 0.890 123 L HN 0.211 nan 8.230 nan 0.000 0.432 124 D N -0.388 120.043 120.400 0.052 0.000 2.117 124 D HA -0.170 4.470 4.640 -0.001 0.000 0.197 124 D C 2.038 178.362 176.300 0.039 0.000 0.987 124 D CA 1.648 55.663 54.000 0.025 0.000 0.829 124 D CB 0.310 41.126 40.800 0.026 0.000 0.961 124 D HN 0.248 nan 8.370 nan 0.000 0.460 125 S N -0.124 115.625 115.700 0.081 0.000 2.371 125 S HA -0.054 4.416 4.470 -0.001 0.000 0.224 125 S C 2.154 176.783 174.600 0.049 0.000 1.029 125 S CA 0.719 58.964 58.200 0.074 0.000 0.978 125 S CB -0.119 63.146 63.200 0.107 0.000 0.833 125 S HN 0.332 nan 8.310 nan 0.000 0.466 126 M N 1.107 120.733 119.600 0.044 0.000 2.149 126 M HA -0.152 4.328 4.480 -0.001 0.000 0.261 126 M C 2.430 178.729 176.300 -0.003 0.000 1.064 126 M CA 1.523 56.837 55.300 0.023 0.000 1.102 126 M CB -0.561 32.030 32.600 -0.016 0.000 1.369 126 M HN 0.402 nan 8.290 nan 0.000 0.408 127 A N -0.571 122.241 122.820 -0.014 0.000 1.933 127 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 127 A C 2.164 179.736 177.584 -0.021 0.000 1.175 127 A CA 2.085 54.104 52.037 -0.031 0.000 0.628 127 A CB -0.953 18.020 19.000 -0.045 0.000 0.814 127 A HN 0.432 nan 8.150 nan 0.000 0.444 128 T N -0.562 113.995 114.554 0.005 0.000 2.985 128 T HA 0.002 4.351 4.350 -0.001 0.000 0.266 128 T C 1.580 176.293 174.700 0.022 0.000 1.076 128 T CA 1.465 63.582 62.100 0.027 0.000 1.135 128 T CB -0.181 68.718 68.868 0.052 0.000 0.890 128 T HN 0.590 nan 8.240 nan 0.000 0.480 129 V N -1.093 118.832 119.914 0.020 0.000 3.596 129 V HA 0.572 4.692 4.120 -0.001 0.000 0.289 129 V C 1.356 177.456 176.094 0.010 0.000 1.336 129 V CA 0.181 62.492 62.300 0.020 0.000 1.137 129 V CB -0.881 30.962 31.823 0.033 0.000 0.966 129 V HN 0.432 nan 8.190 nan 0.000 0.428 130 G N 0.945 109.741 108.800 -0.008 0.000 2.225 130 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.267 130 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.267 130 G C 0.102 175.000 174.900 -0.002 0.000 1.024 130 G CA 0.675 45.763 45.100 -0.021 0.000 0.784 130 G HN 0.984 nan 8.290 nan 0.000 0.507 131 Q N 1.033 120.839 119.800 0.009 0.000 2.344 131 Q HA 0.556 4.896 4.340 -0.001 0.000 0.253 131 Q C 0.664 176.639 176.000 -0.042 0.000 1.050 131 Q CA 0.277 56.087 55.803 0.011 0.000 0.912 131 Q CB 0.674 29.446 28.738 0.057 0.000 1.258 131 Q HN 0.486 nan 8.270 nan 0.000 0.443 132 S N 3.209 118.896 115.700 -0.021 0.000 2.546 132 S HA 0.522 4.991 4.470 -0.001 0.000 0.290 132 S C -0.795 173.638 174.600 -0.279 0.000 1.290 132 S CA 0.458 58.655 58.200 -0.006 0.000 1.069 132 S CB -0.324 62.975 63.200 0.164 0.000 0.846 132 S HN 0.825 nan 8.310 nan 0.000 0.495 133 A N 4.096 126.698 122.820 -0.363 0.000 2.597 133 A HA 0.675 4.994 4.320 -0.001 0.000 0.292 133 A C -0.792 176.621 177.584 -0.285 0.000 1.057 133 A CA -0.819 50.853 52.037 -0.608 0.000 0.674 133 A CB 1.483 20.274 19.000 -0.349 0.000 1.278 133 A HN 0.669 nan 8.150 nan 0.000 0.416 134 T N 0.894 115.302 114.554 -0.244 0.000 2.937 134 T HA 0.599 4.948 4.350 -0.001 0.000 0.297 134 T C 0.221 174.761 174.700 -0.267 0.000 0.991 134 T CA 0.135 62.105 62.100 -0.216 0.000 0.990 134 T CB 1.600 70.340 68.868 -0.215 0.000 0.991 134 T HN 1.425 nan 8.240 nan 0.000 0.440 135 G N 1.975 110.615 108.800 -0.266 0.000 2.361 135 G HA2 0.442 4.401 3.960 -0.001 0.000 0.260 135 G HA3 0.442 4.401 3.960 -0.001 0.000 0.260 135 G C -1.167 173.556 174.900 -0.294 0.000 1.261 135 G CA 0.011 44.997 45.100 -0.189 0.000 0.897 135 G HN 0.617 nan 8.290 nan 0.000 0.499 136 Y N 1.705 122.155 120.300 0.249 0.000 2.345 136 Y HA 0.576 5.125 4.550 -0.001 0.000 0.331 136 Y C 0.836 177.012 175.900 0.459 0.000 0.959 136 Y CA -0.165 58.100 58.100 0.276 0.000 1.204 136 Y CB 2.128 40.800 38.460 0.353 0.000 1.135 136 Y HN 0.766 nan 8.280 nan 0.000 0.477 137 G N 2.385 111.470 108.800 0.474 0.000 3.222 137 G HA2 0.757 4.717 3.960 -0.001 0.000 0.263 137 G HA3 0.757 4.717 3.960 -0.001 0.000 0.263 137 G C -1.699 173.401 174.900 0.334 0.000 1.312 137 G CA -0.989 44.433 45.100 0.537 0.000 0.934 137 G HN 0.406 nan 8.290 nan 0.000 0.577 138 L N 0.174 121.480 121.223 0.138 0.000 2.346 138 L HA 0.432 4.771 4.340 -0.001 0.000 0.274 138 L C -0.096 176.596 176.870 -0.296 0.000 1.007 138 L CA -0.697 54.061 54.840 -0.136 0.000 0.818 138 L CB 2.359 44.115 42.059 -0.504 0.000 1.284 138 L HN 0.591 nan 8.230 nan 0.000 0.424 139 N N 1.885 120.505 118.700 -0.134 0.000 3.034 139 N HA 0.170 4.909 4.740 -0.001 0.000 0.265 139 N C -1.201 174.286 175.510 -0.039 0.000 1.166 139 N CA -0.520 52.529 53.050 -0.002 0.000 1.081 139 N CB 0.253 38.721 38.487 -0.032 0.000 1.378 139 N HN 0.372 nan 8.380 nan 0.000 0.520 140 Y N 1.303 121.726 120.300 0.205 0.000 2.465 140 Y HA -0.048 4.501 4.550 -0.001 0.000 0.331 140 Y C 1.785 177.808 175.900 0.204 0.000 1.102 140 Y CA 0.059 58.253 58.100 0.156 0.000 1.358 140 Y CB 0.790 39.322 38.460 0.121 0.000 1.213 140 Y HN 0.474 nan 8.280 nan 0.000 0.525 141 Q N 2.042 121.906 119.800 0.107 0.000 2.124 141 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 141 Q C 0.053 175.937 176.000 -0.194 0.000 0.977 141 Q CA 1.775 57.418 55.803 -0.266 0.000 0.850 141 Q CB 0.077 28.425 28.738 -0.650 0.000 0.901 141 Q HN 0.873 nan 8.270 nan 0.000 0.429 142 Y N -1.579 118.885 120.300 0.273 0.000 2.675 142 Y HA 0.323 4.873 4.550 -0.001 0.000 0.248 142 Y C 0.952 176.956 175.900 0.173 0.000 1.161 142 Y CA 0.003 58.231 58.100 0.213 0.000 1.203 142 Y CB 0.695 39.229 38.460 0.123 0.000 1.262 142 Y HN 0.242 nan 8.280 nan 0.000 0.544 143 G N 1.184 110.148 108.800 0.273 0.000 2.627 143 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.312 143 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.312 143 G C 0.855 175.737 174.900 -0.029 0.000 1.299 143 G CA 0.895 46.015 45.100 0.034 0.000 0.989 143 G HN 0.296 nan 8.290 nan 0.000 0.547 144 L N -0.021 121.170 121.223 -0.053 0.000 2.056 144 L HA 0.609 4.949 4.340 -0.001 0.000 0.202 144 L C 0.958 177.990 176.870 0.271 0.000 1.086 144 L CA 2.780 57.650 54.840 0.051 0.000 0.758 144 L CB -0.195 41.849 42.059 -0.025 0.000 0.912 144 L HN 1.234 nan 8.230 nan 0.000 0.446 145 F N -3.077 116.879 119.950 0.011 0.000 2.793 145 F HA 0.350 4.876 4.527 -0.001 0.000 0.316 145 F C -0.648 175.152 175.800 0.000 0.000 1.147 145 F CA -1.457 56.548 58.000 0.008 0.000 0.930 145 F CB 0.499 39.495 39.000 -0.007 0.000 1.277 145 F HN -0.183 nan 8.300 nan 0.000 0.443 146 R N 2.460 123.057 120.500 0.161 0.000 2.234 146 R HA 0.295 4.634 4.340 -0.001 0.000 0.324 146 R C -0.713 175.693 176.300 0.177 0.000 1.054 146 R CA -0.393 55.739 56.100 0.052 0.000 0.912 146 R CB 1.087 31.419 30.300 0.053 0.000 1.030 146 R HN 0.876 nan 8.270 nan 0.000 0.455 147 Q N 2.928 122.739 119.800 0.018 0.000 2.279 147 Q HA 0.199 4.538 4.340 -0.001 0.000 0.256 147 Q C -1.008 174.870 176.000 -0.204 0.000 0.937 147 Q CA -0.272 55.540 55.803 0.015 0.000 0.933 147 Q CB 1.177 29.866 28.738 -0.080 0.000 1.189 147 Q HN 0.821 nan 8.270 nan 0.000 0.417 148 S N 2.593 118.157 115.700 -0.227 0.000 2.709 148 S HA 0.729 5.198 4.470 -0.001 0.000 0.302 148 S C -1.021 173.333 174.600 -0.411 0.000 1.127 148 S CA -0.736 57.262 58.200 -0.337 0.000 0.905 148 S CB 1.049 64.171 63.200 -0.130 0.000 1.151 148 S HN 0.394 nan 8.310 nan 0.000 0.510 149 F N 0.405 120.324 119.950 -0.051 0.000 2.507 149 F HA 0.664 5.190 4.527 -0.001 0.000 0.328 149 F C -0.585 175.194 175.800 -0.035 0.000 1.136 149 F CA -1.363 56.596 58.000 -0.068 0.000 0.930 149 F CB 1.900 40.839 39.000 -0.103 0.000 1.166 149 F HN 0.422 nan 8.300 nan 0.000 0.436 150 V N 3.238 123.255 119.914 0.171 0.000 2.487 150 V HA 0.304 4.423 4.120 -0.001 0.000 0.298 150 V C -0.530 175.611 176.094 0.079 0.000 1.028 150 V CA -1.206 61.149 62.300 0.092 0.000 0.860 150 V CB 1.766 33.616 31.823 0.045 0.000 0.991 150 V HN 0.766 nan 8.190 nan 0.000 0.427 151 D N 4.183 124.630 120.400 0.078 0.000 2.702 151 D HA -0.230 4.410 4.640 -0.001 0.000 0.233 151 D C 1.347 177.740 176.300 0.155 0.000 1.164 151 D CA 1.490 55.548 54.000 0.096 0.000 0.638 151 D CB -0.972 39.874 40.800 0.077 0.000 1.041 151 D HN 1.434 nan 8.370 nan 0.000 0.422 152 G N -0.721 108.147 108.800 0.113 0.000 2.212 152 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.266 152 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.266 152 G C 0.382 175.322 174.900 0.066 0.000 0.978 152 G CA 0.949 46.093 45.100 0.074 0.000 0.632 152 G HN 0.509 nan 8.290 nan 0.000 0.537 153 K N 0.530 120.982 120.400 0.085 0.000 2.110 153 K HA 0.479 4.799 4.320 -0.001 0.000 0.263 153 K C 0.525 177.217 176.600 0.153 0.000 0.975 153 K CA -0.575 55.728 56.287 0.026 0.000 0.895 153 K CB 1.179 33.605 32.500 -0.123 0.000 1.060 153 K HN 0.312 nan 8.250 nan 0.000 0.448 154 Q N 2.236 122.129 119.800 0.154 0.000 2.255 154 Q HA 0.069 4.408 4.340 -0.001 0.000 0.280 154 Q C -1.079 174.956 176.000 0.058 0.000 1.068 154 Q CA -0.094 55.831 55.803 0.204 0.000 0.911 154 Q CB 0.522 29.343 28.738 0.138 0.000 1.157 154 Q HN 0.267 nan 8.270 nan 0.000 0.380 155 V N 4.706 124.642 119.914 0.038 0.000 2.459 155 V HA 0.281 4.401 4.120 -0.001 0.000 0.295 155 V C -0.754 175.321 176.094 -0.032 0.000 1.029 155 V CA -0.694 61.592 62.300 -0.024 0.000 0.874 155 V CB 1.837 33.653 31.823 -0.011 0.000 0.985 155 V HN 0.842 nan 8.190 nan 0.000 0.438 156 E N 2.967 123.092 120.200 -0.125 0.000 2.156 156 E HA 0.741 5.091 4.350 -0.001 0.000 0.279 156 E C -0.304 176.266 176.600 -0.050 0.000 0.965 156 E CA -0.135 56.167 56.400 -0.163 0.000 0.789 156 E CB 1.847 31.209 29.700 -0.563 0.000 1.098 156 E HN 0.887 nan 8.360 nan 0.000 0.397 157 A N 3.881 126.740 122.820 0.066 0.000 2.469 157 A HA 0.733 5.053 4.320 -0.001 0.000 0.299 157 A C -2.621 174.992 177.584 0.048 0.000 1.098 157 A CA -2.000 50.048 52.037 0.018 0.000 0.737 157 A CB 0.918 19.923 19.000 0.009 0.000 1.312 157 A HN 0.396 nan 8.150 nan 0.000 0.414 158 P HA 0.090 nan 4.420 nan 0.000 0.265 158 P C -0.906 176.440 177.300 0.078 0.000 1.193 158 P CA 0.375 63.416 63.100 -0.097 0.000 0.765 158 P CB 0.404 31.792 31.700 -0.520 0.000 0.823 159 D N 2.263 122.786 120.400 0.204 0.000 2.522 159 D HA 0.037 4.676 4.640 -0.001 0.000 0.218 159 D C -0.599 175.907 176.300 0.343 0.000 1.149 159 D CA -0.131 53.993 54.000 0.207 0.000 0.981 159 D CB -0.621 40.258 40.800 0.132 0.000 1.041 159 D HN 0.117 nan 8.370 nan 0.000 0.518 160 D N 2.899 123.471 120.400 0.286 0.000 2.336 160 D HA -0.006 4.633 4.640 -0.001 0.000 0.249 160 D C 0.540 176.874 176.300 0.057 0.000 1.213 160 D CA -0.511 53.614 54.000 0.207 0.000 0.870 160 D CB 0.313 41.184 40.800 0.118 0.000 1.076 160 D HN 0.475 nan 8.370 nan 0.000 0.483 161 W N 4.907 126.129 121.300 -0.130 0.000 2.926 161 W HA 0.192 4.851 4.660 -0.000 0.000 0.419 161 W C -0.439 176.107 176.519 0.045 0.000 0.993 161 W CA -0.510 56.796 57.345 -0.066 0.000 2.025 161 W CB -1.226 28.222 29.460 -0.020 0.000 1.152 161 W HN 0.453 nan 8.180 nan 0.000 0.659 162 H N 0.950 119.932 119.070 -0.146 0.000 2.604 162 H HA -0.247 4.308 4.556 -0.001 0.000 0.321 162 H C 1.820 176.872 175.328 -0.460 0.000 1.132 162 H CA 1.462 57.390 56.048 -0.201 0.000 1.129 162 H CB -1.553 28.227 29.762 0.029 0.000 1.526 162 H HN 0.403 nan 8.280 nan 0.000 0.415 163 R N 1.224 121.067 120.500 -1.095 0.000 2.133 163 R HA -0.234 4.105 4.340 -0.001 0.000 0.245 163 R C 2.257 178.246 176.300 -0.518 0.000 1.137 163 R CA 2.644 57.928 56.100 -1.360 0.000 0.947 163 R CB -0.150 29.412 30.300 -1.231 0.000 0.865 163 R HN 0.487 nan 8.270 nan 0.000 0.437 164 S N -0.730 114.723 115.700 -0.413 0.000 2.447 164 S HA -0.034 4.435 4.470 -0.001 0.000 0.233 164 S C 1.417 175.997 174.600 -0.034 0.000 1.006 164 S CA 0.988 59.002 58.200 -0.309 0.000 0.957 164 S CB -0.062 62.979 63.200 -0.265 0.000 0.773 164 S HN 0.424 nan 8.310 nan 0.000 0.507 165 N N -0.206 118.532 118.700 0.064 0.000 2.203 165 N HA 0.136 4.875 4.740 -0.001 0.000 0.207 165 N C -0.910 174.743 175.510 0.239 0.000 1.130 165 N CA -0.172 52.963 53.050 0.142 0.000 0.861 165 N CB 0.240 38.787 38.487 0.100 0.000 1.005 165 N HN 0.472 nan 8.380 nan 0.000 0.507 166 Y N 3.799 124.246 120.300 0.244 0.000 2.569 166 Y HA 0.113 4.663 4.550 -0.001 0.000 0.332 166 Y C -1.308 174.748 175.900 0.261 0.000 1.120 166 Y CA -1.494 56.804 58.100 0.330 0.000 1.416 166 Y CB 1.020 39.713 38.460 0.388 0.000 1.210 166 Y HN 0.094 nan 8.280 nan 0.000 0.528 167 P HA -0.157 nan 4.420 nan 0.000 0.223 167 P C 0.496 177.535 177.300 -0.435 0.000 1.151 167 P CA 1.493 64.309 63.100 -0.473 0.000 0.787 167 P CB 0.008 31.222 31.700 -0.809 0.000 0.788 168 W N -1.630 119.477 121.300 -0.321 0.000 3.256 168 W HA 0.210 4.870 4.660 -0.000 0.000 0.269 168 W C 0.570 177.129 176.519 0.066 0.000 1.310 168 W CA -0.606 56.675 57.345 -0.106 0.000 1.673 168 W CB -0.438 28.981 29.460 -0.068 0.000 1.115 168 W HN -0.255 nan 8.180 nan 0.000 0.686 169 F N 1.381 121.558 119.950 0.379 0.000 2.418 169 F HA 0.306 4.833 4.527 -0.001 0.000 0.341 169 F C 1.025 176.955 175.800 0.218 0.000 1.120 169 F CA -0.428 57.810 58.000 0.396 0.000 1.232 169 F CB 0.496 39.845 39.000 0.581 0.000 1.175 169 F HN -0.342 nan 8.300 nan 0.000 0.569 170 R N 0.948 121.694 120.500 0.409 0.000 2.740 170 R HA 0.354 4.694 4.340 -0.001 0.000 0.282 170 R C -1.612 174.659 176.300 -0.048 0.000 0.969 170 R CA -1.072 55.105 56.100 0.129 0.000 0.918 170 R CB 2.014 32.352 30.300 0.063 0.000 1.175 170 R HN 0.592 nan 8.270 nan 0.000 0.464 171 H N 1.548 120.378 119.070 -0.400 0.000 2.970 171 H HA 0.217 4.772 4.556 -0.001 0.000 0.315 171 H C -1.270 173.796 175.328 -0.437 0.000 0.992 171 H CA -0.786 54.830 56.048 -0.721 0.000 1.363 171 H CB 0.691 29.549 29.762 -1.506 0.000 1.532 171 H HN 0.374 nan 8.280 nan 0.000 0.514 172 N N 3.487 121.772 118.700 -0.692 0.000 2.437 172 N HA 0.019 4.758 4.740 -0.001 0.000 0.243 172 N C 0.938 176.044 175.510 -0.673 0.000 1.041 172 N CA -0.059 52.661 53.050 -0.550 0.000 0.940 172 N CB 0.725 39.044 38.487 -0.281 0.000 1.133 172 N HN 0.913 nan 8.380 nan 0.000 0.506 173 E N 2.958 122.752 120.200 -0.676 0.000 2.204 173 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 173 E C 1.225 177.728 176.600 -0.162 0.000 0.990 173 E CA 1.136 57.301 56.400 -0.391 0.000 0.821 173 E CB -0.103 29.463 29.700 -0.222 0.000 0.750 173 E HN 0.508 nan 8.360 nan 0.000 0.477 174 A N 1.411 124.138 122.820 -0.154 0.000 2.172 174 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 174 A C 2.068 179.632 177.584 -0.034 0.000 1.154 174 A CA 0.643 52.633 52.037 -0.078 0.000 0.701 174 A CB -0.496 18.458 19.000 -0.075 0.000 0.789 174 A HN 0.316 nan 8.150 nan 0.000 0.465 175 L N -0.146 121.057 121.223 -0.034 0.000 2.599 175 L HA 0.034 4.373 4.340 -0.001 0.000 0.230 175 L C -0.256 176.728 176.870 0.191 0.000 1.141 175 L CA -0.408 54.475 54.840 0.072 0.000 0.877 175 L CB -0.590 41.501 42.059 0.054 0.000 1.009 175 L HN 0.167 nan 8.230 nan 0.000 0.447 176 D N 0.489 120.971 120.400 0.136 0.000 2.449 176 D HA 0.153 4.793 4.640 -0.001 0.000 0.236 176 D C -0.164 176.201 176.300 0.109 0.000 1.149 176 D CA 0.541 54.647 54.000 0.177 0.000 0.878 176 D CB 1.485 42.350 40.800 0.110 0.000 1.198 176 D HN -0.247 nan 8.370 nan 0.000 0.446 177 V N 2.678 122.631 119.914 0.065 0.000 2.638 177 V HA 0.196 4.316 4.120 -0.001 0.000 0.306 177 V C -0.192 175.868 176.094 -0.056 0.000 1.052 177 V CA -0.980 61.282 62.300 -0.062 0.000 0.885 177 V CB 1.946 33.612 31.823 -0.262 0.000 0.999 177 V HN 0.317 nan 8.190 nan 0.000 0.424 178 Q N 2.910 122.671 119.800 -0.065 0.000 2.279 178 Q HA 0.545 4.884 4.340 -0.001 0.000 0.256 178 Q C -0.829 175.133 176.000 -0.065 0.000 0.937 178 Q CA -0.230 55.533 55.803 -0.065 0.000 0.933 178 Q CB 2.170 30.862 28.738 -0.077 0.000 1.189 178 Q HN 0.548 nan 8.270 nan 0.000 0.417 179 V N 1.624 121.522 119.914 -0.026 0.000 2.487 179 V HA 0.559 4.679 4.120 -0.001 0.000 0.298 179 V C 0.395 176.536 176.094 0.080 0.000 1.028 179 V CA -0.871 61.450 62.300 0.036 0.000 0.860 179 V CB 1.910 33.787 31.823 0.090 0.000 0.991 179 V HN 0.845 nan 8.190 nan 0.000 0.427 180 G N 3.783 112.644 108.800 0.102 0.000 2.400 180 G HA2 0.721 4.681 3.960 -0.001 0.000 0.301 180 G HA3 0.721 4.681 3.960 -0.001 0.000 0.301 180 G C -1.053 174.073 174.900 0.377 0.000 1.154 180 G CA -0.292 44.806 45.100 -0.003 0.000 0.852 180 G HN 0.571 nan 8.290 nan 0.000 0.511 181 I N 0.017 120.787 120.570 0.335 0.000 2.769 181 I HA 0.631 4.800 4.170 -0.001 0.000 0.298 181 I C 0.746 177.098 176.117 0.391 0.000 1.128 181 I CA 0.587 62.143 61.300 0.426 0.000 1.031 181 I CB 2.167 40.398 38.000 0.385 0.000 1.235 181 I HN 1.119 nan 8.210 nan 0.000 0.423 182 G N 3.404 112.412 108.800 0.346 0.000 2.569 182 G HA2 0.272 4.231 3.960 -0.001 0.000 0.259 182 G HA3 0.272 4.231 3.960 -0.001 0.000 0.259 182 G C 0.468 175.603 174.900 0.393 0.000 1.263 182 G CA -0.189 45.078 45.100 0.278 0.000 0.928 182 G HN 1.990 nan 8.290 nan 0.000 0.572 183 G N -0.873 108.085 108.800 0.262 0.000 2.488 183 G HA2 0.371 4.330 3.960 -0.001 0.000 0.237 183 G HA3 0.371 4.330 3.960 -0.001 0.000 0.237 183 G C -0.010 175.038 174.900 0.246 0.000 1.209 183 G CA 1.581 46.826 45.100 0.242 0.000 0.929 183 G HN 2.541 nan 8.290 nan 0.000 0.578 184 K N -1.884 118.683 120.400 0.277 0.000 2.556 184 K HA 0.723 5.042 4.320 -0.001 0.000 0.274 184 K C -1.208 175.555 176.600 0.272 0.000 0.966 184 K CA -1.028 55.387 56.287 0.213 0.000 0.865 184 K CB 2.118 34.697 32.500 0.132 0.000 1.444 184 K HN 0.887 nan 8.250 nan 0.000 0.433 185 V N 1.936 121.959 119.914 0.181 0.000 2.394 185 V HA 0.287 4.407 4.120 -0.001 0.000 0.282 185 V C 0.429 176.591 176.094 0.113 0.000 1.031 185 V CA -0.525 61.876 62.300 0.167 0.000 0.881 185 V CB 1.104 32.986 31.823 0.098 0.000 0.982 185 V HN 0.987 nan 8.190 nan 0.000 0.451 186 T N 1.457 116.076 114.554 0.109 0.000 2.828 186 T HA 0.264 4.614 4.350 -0.001 0.000 0.290 186 T C 1.147 175.883 174.700 0.060 0.000 1.019 186 T CA -0.379 61.767 62.100 0.076 0.000 1.031 186 T CB 0.830 69.738 68.868 0.066 0.000 1.001 186 T HN 0.584 nan 8.240 nan 0.000 0.531 187 K N 0.682 121.111 120.400 0.047 0.000 2.071 187 K HA -0.242 4.077 4.320 -0.001 0.000 0.217 187 K C 1.922 178.545 176.600 0.038 0.000 1.054 187 K CA 2.686 58.995 56.287 0.038 0.000 0.937 187 K CB -0.259 32.260 32.500 0.031 0.000 0.719 187 K HN 0.734 nan 8.250 nan 0.000 0.454 188 D N -2.270 118.154 120.400 0.041 0.000 2.091 188 D HA -0.076 4.563 4.640 -0.001 0.000 0.199 188 D C 1.430 177.759 176.300 0.049 0.000 0.980 188 D CA 1.676 55.700 54.000 0.041 0.000 0.831 188 D CB 0.096 40.919 40.800 0.039 0.000 0.987 188 D HN 0.492 nan 8.370 nan 0.000 0.460 189 G N 0.127 108.964 108.800 0.061 0.000 3.290 189 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.220 189 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.220 189 G C -0.091 174.870 174.900 0.101 0.000 0.940 189 G CA -0.710 44.434 45.100 0.074 0.000 0.884 189 G HN 0.063 nan 8.290 nan 0.000 0.649 190 R N 0.050 120.612 120.500 0.103 0.000 2.401 190 R HA 0.301 4.641 4.340 -0.001 0.000 0.299 190 R C -0.041 176.387 176.300 0.213 0.000 1.064 190 R CA -0.634 55.545 56.100 0.132 0.000 1.000 190 R CB 0.540 30.889 30.300 0.082 0.000 0.973 190 R HN 0.243 nan 8.270 nan 0.000 0.438 191 W N 4.304 125.623 121.300 0.032 0.000 2.368 191 W HA 0.038 4.698 4.660 -0.000 0.000 0.316 191 W C -0.685 175.860 176.519 0.044 0.000 1.375 191 W CA -0.774 56.596 57.345 0.042 0.000 1.261 191 W CB 0.396 29.886 29.460 0.050 0.000 1.298 191 W HN 0.523 nan 8.180 nan 0.000 0.539 192 E N 8.254 128.497 120.200 0.071 0.000 2.070 192 E HA 0.218 4.567 4.350 -0.001 0.000 0.261 192 E C -2.149 174.321 176.600 -0.217 0.000 0.926 192 E CA -1.906 54.411 56.400 -0.138 0.000 0.760 192 E CB 0.730 30.423 29.700 -0.012 0.000 1.133 192 E HN 0.129 nan 8.360 nan 0.000 0.420 193 P HA -0.118 nan 4.420 nan 0.000 0.267 193 P C 0.518 177.798 177.300 -0.033 0.000 1.200 193 P CA 0.221 63.130 63.100 -0.319 0.000 0.772 193 P CB 0.656 32.052 31.700 -0.506 0.000 0.855 194 E N 2.397 122.666 120.200 0.115 0.000 2.442 194 E HA -0.004 4.345 4.350 -0.001 0.000 0.195 194 E C -0.512 176.235 176.600 0.245 0.000 1.030 194 E CA 0.331 56.817 56.400 0.144 0.000 0.869 194 E CB 0.085 29.872 29.700 0.144 0.000 0.857 194 E HN 0.342 nan 8.360 nan 0.000 0.505 195 F N 0.522 120.502 119.950 0.051 0.000 2.608 195 F HA 0.391 4.917 4.527 -0.001 0.000 0.309 195 F C -1.396 174.457 175.800 0.088 0.000 1.103 195 F CA -0.613 57.440 58.000 0.088 0.000 0.954 195 F CB 2.414 41.471 39.000 0.095 0.000 1.267 195 F HN -0.301 nan 8.300 nan 0.000 0.444 196 T N 6.696 120.971 114.554 -0.466 0.000 2.815 196 T HA 0.590 4.940 4.350 -0.001 0.000 0.289 196 T C -0.429 173.978 174.700 -0.488 0.000 1.000 196 T CA -0.291 61.599 62.100 -0.350 0.000 0.958 196 T CB 0.838 69.557 68.868 -0.249 0.000 0.944 196 T HN 0.368 nan 8.240 nan 0.000 0.442 197 I N 2.443 122.878 120.570 -0.224 0.000 2.428 197 I HA 0.309 4.478 4.170 -0.001 0.000 0.296 197 I C 0.595 176.688 176.117 -0.040 0.000 0.985 197 I CA -0.414 60.824 61.300 -0.104 0.000 1.260 197 I CB 1.493 39.528 38.000 0.059 0.000 1.389 197 I HN 0.459 nan 8.210 nan 0.000 0.484 198 T N 4.727 119.262 114.554 -0.032 0.000 2.781 198 T HA 0.373 4.723 4.350 -0.001 0.000 0.305 198 T C 0.311 175.146 174.700 0.226 0.000 1.001 198 T CA -0.609 61.521 62.100 0.049 0.000 0.950 198 T CB 0.719 69.568 68.868 -0.031 0.000 0.955 198 T HN 0.789 nan 8.240 nan 0.000 0.471 199 G N 2.980 111.983 108.800 0.338 0.000 2.355 199 G HA2 0.412 4.371 3.960 -0.001 0.000 0.276 199 G HA3 0.412 4.371 3.960 -0.001 0.000 0.276 199 G C -0.438 174.756 174.900 0.491 0.000 1.198 199 G CA -0.506 44.910 45.100 0.525 0.000 0.876 199 G HN 0.622 nan 8.290 nan 0.000 0.478 200 Q N 0.460 120.583 119.800 0.537 0.000 2.271 200 Q HA 0.523 4.862 4.340 -0.001 0.000 0.258 200 Q C 0.025 176.264 176.000 0.398 0.000 0.936 200 Q CA -0.634 55.439 55.803 0.451 0.000 0.909 200 Q CB 2.248 31.198 28.738 0.352 0.000 1.253 200 Q HN 0.671 nan 8.270 nan 0.000 0.440 201 A N 2.702 125.590 122.820 0.114 0.000 2.354 201 A HA 0.308 4.627 4.320 -0.001 0.000 0.281 201 A C -1.419 176.018 177.584 -0.245 0.000 1.174 201 A CA -0.184 51.642 52.037 -0.351 0.000 0.828 201 A CB 0.054 18.769 19.000 -0.475 0.000 1.099 201 A HN 0.690 nan 8.150 nan 0.000 0.516 202 W N 2.221 123.376 121.300 -0.242 0.000 2.336 202 W HA 0.392 5.051 4.660 -0.001 0.000 0.315 202 W C -0.945 175.625 176.519 0.085 0.000 1.016 202 W CA -0.299 56.924 57.345 -0.202 0.000 1.318 202 W CB 1.554 30.636 29.460 -0.630 0.000 1.247 202 W HN 0.571 nan 8.180 nan 0.000 0.414 203 D N 3.684 124.271 120.400 0.313 0.000 2.168 203 D HA 0.468 5.107 4.640 -0.001 0.000 0.246 203 D C -0.390 176.132 176.300 0.371 0.000 1.050 203 D CA -0.339 53.802 54.000 0.235 0.000 0.857 203 D CB 1.877 42.713 40.800 0.059 0.000 1.169 203 D HN 0.161 nan 8.370 nan 0.000 0.453 204 L N 3.171 124.509 121.223 0.192 0.000 2.334 204 L HA 0.417 4.756 4.340 -0.001 0.000 0.276 204 L C -2.284 174.591 176.870 0.009 0.000 1.014 204 L CA -1.948 52.943 54.840 0.085 0.000 0.815 204 L CB 2.250 44.286 42.059 -0.039 0.000 1.268 204 L HN 0.084 nan 8.230 nan 0.000 0.428 205 P HA 0.142 nan 4.420 nan 0.000 0.287 205 P C -0.719 176.507 177.300 -0.123 0.000 1.281 205 P CA -0.309 62.769 63.100 -0.036 0.000 0.781 205 P CB 1.514 33.224 31.700 0.017 0.000 0.903 206 V N 5.296 125.143 119.914 -0.112 0.000 2.368 206 V HA 0.092 4.211 4.120 -0.001 0.000 0.266 206 V C 0.658 176.679 176.094 -0.122 0.000 1.045 206 V CA -0.472 61.752 62.300 -0.126 0.000 0.899 206 V CB 1.262 33.023 31.823 -0.104 0.000 1.006 206 V HN 0.288 nan 8.190 nan 0.000 0.470 207 V N 5.309 125.129 119.914 -0.157 0.000 2.385 207 V HA 0.467 4.586 4.120 -0.001 0.000 0.269 207 V C 1.110 177.135 176.094 -0.115 0.000 1.043 207 V CA -0.199 62.005 62.300 -0.160 0.000 0.906 207 V CB 1.217 32.902 31.823 -0.230 0.000 0.995 207 V HN 0.941 nan 8.190 nan 0.000 0.467 208 G N 3.148 111.889 108.800 -0.098 0.000 2.594 208 G HA2 0.152 4.111 3.960 -0.001 0.000 0.243 208 G HA3 0.152 4.111 3.960 -0.001 0.000 0.243 208 G C -0.680 174.191 174.900 -0.048 0.000 1.229 208 G CA -0.191 44.874 45.100 -0.058 0.000 0.843 208 G HN 0.698 nan 8.290 nan 0.000 0.578 209 Y N 2.356 122.589 120.300 -0.112 0.000 2.539 209 Y HA 0.254 4.804 4.550 -0.001 0.000 0.352 209 Y C 1.224 177.054 175.900 -0.115 0.000 1.004 209 Y CA -0.615 57.411 58.100 -0.122 0.000 1.278 209 Y CB 0.209 38.597 38.460 -0.119 0.000 1.136 209 Y HN 0.632 nan 8.280 nan 0.000 0.528 210 R N 3.047 123.185 120.500 -0.603 0.000 3.627 210 R HA -0.264 4.075 4.340 -0.001 0.000 0.281 210 R C -0.101 176.036 176.300 -0.272 0.000 1.140 210 R CA 1.104 56.897 56.100 -0.511 0.000 0.761 210 R CB -2.479 27.370 30.300 -0.752 0.000 1.181 210 R HN 0.888 nan 8.270 nan 0.000 0.472 211 N N -1.837 116.745 118.700 -0.197 0.000 2.143 211 N HA 0.090 4.829 4.740 -0.001 0.000 0.222 211 N C 1.008 176.441 175.510 -0.129 0.000 1.264 211 N CA 0.721 53.691 53.050 -0.133 0.000 0.897 211 N CB 0.455 38.883 38.487 -0.099 0.000 1.092 211 N HN 0.301 nan 8.380 nan 0.000 0.516 212 G N 0.239 108.954 108.800 -0.141 0.000 2.168 212 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.263 212 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.263 212 G C -0.281 174.528 174.900 -0.151 0.000 0.977 212 G CA 0.491 45.513 45.100 -0.130 0.000 0.659 212 G HN 0.312 nan 8.290 nan 0.000 0.533 213 V N 0.711 120.533 119.914 -0.154 0.000 2.583 213 V HA 0.640 4.760 4.120 -0.001 0.000 0.287 213 V C 0.664 176.689 176.094 -0.115 0.000 1.051 213 V CA 0.538 62.745 62.300 -0.156 0.000 1.010 213 V CB 1.437 33.182 31.823 -0.130 0.000 0.988 213 V HN 1.392 nan 8.190 nan 0.000 0.478 214 A N 6.030 128.801 122.820 -0.081 0.000 2.402 214 A HA 0.781 5.101 4.320 -0.001 0.000 0.291 214 A C -0.703 176.882 177.584 0.002 0.000 1.051 214 A CA -0.670 51.340 52.037 -0.045 0.000 0.716 214 A CB 1.439 20.425 19.000 -0.023 0.000 1.223 214 A HN 0.846 nan 8.150 nan 0.000 0.425 215 Q N 1.595 121.385 119.800 -0.017 0.000 2.462 215 Q HA 0.774 5.114 4.340 -0.001 0.000 0.285 215 Q C -3.118 172.857 176.000 -0.042 0.000 1.035 215 Q CA -2.227 53.578 55.803 0.004 0.000 0.799 215 Q CB 2.608 31.356 28.738 0.017 0.000 1.452 215 Q HN 0.362 nan 8.270 nan 0.000 0.404 216 P HA 0.215 nan 4.420 nan 0.000 0.288 216 P C -1.209 175.982 177.300 -0.181 0.000 1.267 216 P CA -0.661 62.381 63.100 -0.097 0.000 0.815 216 P CB 0.743 32.388 31.700 -0.091 0.000 0.989 217 L N 3.701 124.806 121.223 -0.198 0.000 2.259 217 L HA 0.446 4.786 4.340 -0.001 0.000 0.288 217 L C 0.074 176.793 176.870 -0.251 0.000 1.051 217 L CA -0.533 54.114 54.840 -0.322 0.000 0.824 217 L CB -0.074 41.766 42.059 -0.365 0.000 1.206 217 L HN 0.291 nan 8.230 nan 0.000 0.429 218 R N 5.719 126.021 120.500 -0.331 0.000 2.207 218 R HA 0.603 4.943 4.340 -0.001 0.000 0.334 218 R C -1.633 174.459 176.300 -0.346 0.000 1.013 218 R CA -0.446 55.456 56.100 -0.331 0.000 0.858 218 R CB 0.546 30.588 30.300 -0.431 0.000 1.094 218 R HN 0.781 nan 8.270 nan 0.000 0.457 219 L N 5.802 126.873 121.223 -0.253 0.000 2.319 219 L HA 0.429 4.769 4.340 -0.001 0.000 0.281 219 L C -0.838 175.938 176.870 -0.157 0.000 1.005 219 L CA -0.864 53.918 54.840 -0.097 0.000 0.828 219 L CB 1.206 43.346 42.059 0.135 0.000 1.227 219 L HN 0.621 nan 8.230 nan 0.000 0.415 220 W N 2.975 124.375 121.300 0.167 0.000 2.266 220 W HA 0.362 5.022 4.660 -0.001 0.000 0.317 220 W C 0.385 177.066 176.519 0.270 0.000 1.310 220 W CA -0.084 57.374 57.345 0.189 0.000 1.207 220 W CB 0.562 30.011 29.460 -0.019 0.000 1.199 220 W HN 0.425 nan 8.180 nan 0.000 0.544 221 Q N 2.452 122.560 119.800 0.512 0.000 2.316 221 Q HA 0.663 5.003 4.340 -0.001 0.000 0.264 221 Q C -0.658 175.558 176.000 0.361 0.000 0.987 221 Q CA -0.751 55.221 55.803 0.283 0.000 0.852 221 Q CB 1.522 30.241 28.738 -0.031 0.000 1.287 221 Q HN 0.604 nan 8.270 nan 0.000 0.448 222 A N 2.807 125.650 122.820 0.037 0.000 2.320 222 A HA 0.603 4.922 4.320 -0.001 0.000 0.287 222 A C -0.175 177.382 177.584 -0.046 0.000 1.181 222 A CA 0.025 51.933 52.037 -0.215 0.000 0.831 222 A CB 0.515 19.110 19.000 -0.676 0.000 1.102 222 A HN 0.801 nan 8.150 nan 0.000 0.513 223 T N -0.451 114.121 114.554 0.030 0.000 2.838 223 T HA 0.624 4.973 4.350 -0.001 0.000 0.292 223 T C -0.802 173.946 174.700 0.079 0.000 1.113 223 T CA -0.645 61.489 62.100 0.057 0.000 1.008 223 T CB 1.528 70.434 68.868 0.063 0.000 1.259 223 T HN 0.721 nan 8.240 nan 0.000 0.520 224 H N -0.741 118.328 119.070 -0.002 0.000 2.637 224 H HA 0.628 5.183 4.556 -0.001 0.000 0.363 224 H C 0.976 176.272 175.328 -0.055 0.000 1.131 224 H CA -0.131 55.896 56.048 -0.035 0.000 1.183 224 H CB 2.282 32.051 29.762 0.011 0.000 1.637 224 H HN 0.873 nan 8.280 nan 0.000 0.531 225 A N 3.520 126.117 122.820 -0.371 0.000 1.972 225 A HA -0.114 4.206 4.320 -0.001 0.000 0.219 225 A C 0.446 177.767 177.584 -0.439 0.000 1.169 225 A CA 1.115 52.933 52.037 -0.365 0.000 0.635 225 A CB -0.049 18.697 19.000 -0.423 0.000 0.810 225 A HN 0.675 nan 8.150 nan 0.000 0.446 226 H N -1.097 118.158 119.070 0.308 0.000 2.423 226 H HA 0.210 4.765 4.556 -0.001 0.000 0.237 226 H C -2.138 173.378 175.328 0.313 0.000 1.391 226 H CA -1.378 54.846 56.048 0.294 0.000 1.453 226 H CB 0.773 30.670 29.762 0.226 0.000 1.484 226 H HN 0.375 nan 8.280 nan 0.000 0.505 227 P HA -0.059 nan 4.420 nan 0.000 0.231 227 P C 0.146 177.600 177.300 0.258 0.000 1.168 227 P CA 0.494 63.732 63.100 0.230 0.000 0.779 227 P CB 0.488 32.303 31.700 0.192 0.000 0.844 228 F N 1.026 121.038 119.950 0.102 0.000 2.507 228 F HA 0.479 5.006 4.527 -0.001 0.000 0.325 228 F C -0.763 175.095 175.800 0.096 0.000 1.116 228 F CA -1.253 56.798 58.000 0.086 0.000 0.930 228 F CB 1.553 40.581 39.000 0.046 0.000 1.146 228 F HN -0.355 nan 8.300 nan 0.000 0.447 229 D N 6.290 126.408 120.400 -0.469 0.000 2.414 229 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 229 D C 0.670 176.644 176.300 -0.544 0.000 1.070 229 D CA -0.273 53.524 54.000 -0.337 0.000 0.839 229 D CB 1.616 42.305 40.800 -0.186 0.000 1.079 229 D HN 0.708 nan 8.370 nan 0.000 0.521 230 L N 4.117 125.196 121.223 -0.241 0.000 2.083 230 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 230 L C 1.913 178.785 176.870 0.004 0.000 1.083 230 L CA 1.917 56.723 54.840 -0.056 0.000 0.752 230 L CB -0.615 41.539 42.059 0.158 0.000 0.899 230 L HN 0.395 nan 8.230 nan 0.000 0.433 231 T N -0.425 114.115 114.554 -0.023 0.000 2.746 231 T HA -0.178 4.171 4.350 -0.001 0.000 0.267 231 T C 1.872 176.558 174.700 -0.024 0.000 1.039 231 T CA 1.681 63.780 62.100 -0.003 0.000 1.142 231 T CB -0.123 68.737 68.868 -0.014 0.000 0.866 231 T HN 0.350 nan 8.240 nan 0.000 0.444 232 K N 0.181 120.538 120.400 -0.071 0.000 2.063 232 K HA -0.064 4.256 4.320 -0.001 0.000 0.208 232 K C 1.975 178.522 176.600 -0.088 0.000 1.048 232 K CA 1.248 57.477 56.287 -0.097 0.000 0.928 232 K CB -0.337 32.093 32.500 -0.117 0.000 0.713 232 K HN 0.261 nan 8.250 nan 0.000 0.442 233 F N 2.358 122.210 119.950 -0.163 0.000 2.102 233 F HA -0.167 4.360 4.527 -0.001 0.000 0.298 233 F C 1.813 177.667 175.800 0.090 0.000 1.105 233 F CA 1.375 59.389 58.000 0.023 0.000 1.239 233 F CB -0.061 39.013 39.000 0.123 0.000 0.991 233 F HN 0.019 nan 8.300 nan 0.000 0.474 234 N N 0.246 119.090 118.700 0.239 0.000 2.512 234 N HA -0.112 4.628 4.740 -0.001 0.000 0.183 234 N C 0.625 176.149 175.510 0.023 0.000 1.073 234 N CA 0.898 54.058 53.050 0.183 0.000 0.911 234 N CB -0.392 38.201 38.487 0.177 0.000 0.964 234 N HN 0.350 nan 8.380 nan 0.000 0.447 235 D N -0.830 119.523 120.400 -0.078 0.000 2.340 235 D HA 0.174 4.813 4.640 -0.001 0.000 0.217 235 D C 1.155 177.282 176.300 -0.289 0.000 1.081 235 D CA 0.181 54.098 54.000 -0.137 0.000 0.842 235 D CB 0.159 40.885 40.800 -0.123 0.000 0.934 235 D HN 0.263 nan 8.370 nan 0.000 0.511 236 G N 1.459 109.947 108.800 -0.520 0.000 2.157 236 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.248 236 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.248 236 G C 0.027 174.153 174.900 -1.290 0.000 0.979 236 G CA -0.217 44.256 45.100 -1.045 0.000 0.650 236 G HN 0.259 nan 8.290 nan 0.000 0.529 237 D N 0.218 120.114 120.400 -0.839 0.000 2.639 237 D HA 0.543 5.183 4.640 -0.001 0.000 0.233 237 D C 1.300 177.355 176.300 -0.408 0.000 1.161 237 D CA -0.506 53.168 54.000 -0.543 0.000 1.003 237 D CB -0.262 40.370 40.800 -0.279 0.000 1.034 237 D HN 0.176 nan 8.370 nan 0.000 0.514 238 F N 0.281 120.127 119.950 -0.172 0.000 2.259 238 F HA -0.004 4.522 4.527 -0.001 0.000 0.298 238 F C 1.906 177.760 175.800 0.089 0.000 1.088 238 F CA 0.136 58.060 58.000 -0.128 0.000 1.358 238 F CB -0.385 38.499 39.000 -0.193 0.000 1.040 238 F HN 0.276 nan 8.300 nan 0.000 0.505 239 L N 0.576 121.907 121.223 0.179 0.000 2.023 239 L HA -0.032 4.308 4.340 -0.001 0.000 0.205 239 L C 2.364 179.285 176.870 0.085 0.000 1.073 239 L CA 1.663 56.585 54.840 0.137 0.000 0.745 239 L CB -0.539 41.571 42.059 0.085 0.000 0.900 239 L HN -0.061 nan 8.230 nan 0.000 0.435 240 R N -0.376 120.135 120.500 0.018 0.000 2.237 240 R HA -0.023 4.317 4.340 -0.001 0.000 0.219 240 R C 2.104 178.399 176.300 -0.008 0.000 1.080 240 R CA 0.798 56.895 56.100 -0.005 0.000 0.995 240 R CB -0.550 29.724 30.300 -0.043 0.000 0.875 240 R HN 0.493 nan 8.270 nan 0.000 0.462 241 A N 1.354 124.178 122.820 0.007 0.000 2.076 241 A HA -0.150 4.169 4.320 -0.001 0.000 0.220 241 A C 1.381 178.954 177.584 -0.019 0.000 1.160 241 A CA 1.273 53.261 52.037 -0.082 0.000 0.653 241 A CB -0.002 18.989 19.000 -0.015 0.000 0.801 241 A HN 0.181 nan 8.150 nan 0.000 0.455 242 E N -1.111 119.163 120.200 0.124 0.000 2.501 242 E HA 0.014 4.363 4.350 -0.001 0.000 0.200 242 E C 1.492 178.155 176.600 0.105 0.000 1.016 242 E CA 0.144 56.653 56.400 0.181 0.000 0.921 242 E CB 0.183 30.019 29.700 0.228 0.000 1.034 242 E HN 0.802 nan 8.360 nan 0.000 0.468 243 Q N 1.447 121.277 119.800 0.051 0.000 2.124 243 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 243 Q C 2.163 178.169 176.000 0.010 0.000 0.977 243 Q CA 1.816 57.630 55.803 0.019 0.000 0.850 243 Q CB 0.101 28.831 28.738 -0.013 0.000 0.901 243 Q HN 0.247 nan 8.270 nan 0.000 0.429 244 Q N -1.203 118.604 119.800 0.012 0.000 2.079 244 Q HA -0.088 4.251 4.340 -0.001 0.000 0.200 244 Q C 1.906 177.929 176.000 0.038 0.000 0.974 244 Q CA 1.551 57.347 55.803 -0.012 0.000 0.840 244 Q CB -0.458 28.224 28.738 -0.093 0.000 0.898 244 Q HN 0.507 nan 8.270 nan 0.000 0.430 245 G N 0.677 109.527 108.800 0.082 0.000 2.418 245 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.217 245 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.217 245 G C 1.318 176.288 174.900 0.117 0.000 1.158 245 G CA 0.936 46.115 45.100 0.131 0.000 0.771 245 G HN 0.358 nan 8.290 nan 0.000 0.545 246 I N 1.222 121.847 120.570 0.091 0.000 2.286 246 I HA -0.140 4.029 4.170 -0.001 0.000 0.248 246 I C 2.354 178.506 176.117 0.058 0.000 1.115 246 I CA 0.778 62.120 61.300 0.071 0.000 1.392 246 I CB -0.133 37.904 38.000 0.061 0.000 1.065 246 I HN 0.033 nan 8.210 nan 0.000 0.418 247 N N 0.665 119.392 118.700 0.044 0.000 2.223 247 N HA -0.128 4.611 4.740 -0.001 0.000 0.185 247 N C 1.805 177.394 175.510 0.132 0.000 1.016 247 N CA 1.513 54.557 53.050 -0.010 0.000 0.863 247 N CB -0.282 38.054 38.487 -0.252 0.000 0.983 247 N HN 0.422 nan 8.380 nan 0.000 0.429 248 A N 0.991 123.975 122.820 0.273 0.000 1.861 248 A HA 0.003 4.322 4.320 -0.001 0.000 0.212 248 A C 2.034 179.639 177.584 0.034 0.000 1.199 248 A CA 0.851 53.027 52.037 0.232 0.000 0.613 248 A CB -0.403 18.748 19.000 0.253 0.000 0.846 248 A HN 0.212 nan 8.150 nan 0.000 0.446 249 E N 0.371 120.596 120.200 0.042 0.000 2.204 249 E HA -0.200 4.150 4.350 -0.001 0.000 0.195 249 E C 1.918 178.517 176.600 -0.002 0.000 0.990 249 E CA 1.252 57.649 56.400 -0.004 0.000 0.821 249 E CB -0.140 29.571 29.700 0.020 0.000 0.750 249 E HN 0.780 nan 8.360 nan 0.000 0.477 250 K N 1.117 121.532 120.400 0.025 0.000 2.211 250 K HA -0.165 4.154 4.320 -0.001 0.000 0.204 250 K C 1.871 178.497 176.600 0.043 0.000 1.047 250 K CA 1.136 57.451 56.287 0.046 0.000 0.935 250 K CB -0.344 32.183 32.500 0.046 0.000 0.728 250 K HN 0.173 nan 8.250 nan 0.000 0.452 251 L N 1.750 122.963 121.223 -0.017 0.000 2.127 251 L HA -0.099 4.240 4.340 -0.001 0.000 0.211 251 L C 1.552 178.443 176.870 0.035 0.000 1.089 251 L CA 1.670 56.493 54.840 -0.028 0.000 0.757 251 L CB -0.821 41.105 42.059 -0.222 0.000 0.899 251 L HN 0.447 nan 8.230 nan 0.000 0.434 252 T N -5.113 109.442 114.554 0.002 0.000 3.293 252 T HA 0.211 4.561 4.350 -0.001 0.000 0.276 252 T C 1.201 175.971 174.700 0.118 0.000 1.003 252 T CA -0.583 61.540 62.100 0.038 0.000 0.916 252 T CB 0.437 69.273 68.868 -0.053 0.000 1.134 252 T HN 0.017 nan 8.240 nan 0.000 0.530 253 K N 0.932 121.436 120.400 0.173 0.000 2.067 253 K HA 0.255 4.575 4.320 -0.001 0.000 0.203 253 K C 0.546 177.340 176.600 0.324 0.000 1.048 253 K CA 0.635 57.052 56.287 0.216 0.000 0.954 253 K CB 0.245 32.889 32.500 0.238 0.000 0.737 253 K HN 0.304 nan 8.250 nan 0.000 0.444 254 V N 1.889 121.984 119.914 0.303 0.000 2.760 254 V HA 0.208 4.327 4.120 -0.001 0.000 0.309 254 V C -0.964 175.131 176.094 0.002 0.000 1.077 254 V CA -1.191 61.219 62.300 0.183 0.000 0.910 254 V CB 2.157 34.071 31.823 0.151 0.000 1.008 254 V HN 0.073 nan 8.190 nan 0.000 0.424 255 L N 5.781 126.762 121.223 -0.404 0.000 2.290 255 L HA 0.543 4.883 4.340 -0.001 0.000 0.284 255 L C -0.494 176.179 176.870 -0.328 0.000 1.078 255 L CA 0.264 54.572 54.840 -0.886 0.000 0.815 255 L CB -0.397 40.962 42.059 -1.168 0.000 1.162 255 L HN 0.691 nan 8.230 nan 0.000 0.435 256 Y N 3.815 124.031 120.300 -0.139 0.000 3.027 256 Y HA -0.178 4.372 4.550 -0.000 0.000 0.195 256 Y C -1.989 173.917 175.900 0.010 0.000 1.381 256 Y CA -0.093 57.984 58.100 -0.037 0.000 1.015 256 Y CB -2.489 35.949 38.460 -0.038 0.000 1.329 256 Y HN 0.546 nan 8.280 nan 0.000 0.462 257 P HA 0.011 nan 4.420 nan 0.000 0.272 257 P C 0.577 177.940 177.300 0.105 0.000 1.223 257 P CA -0.278 62.891 63.100 0.115 0.000 0.784 257 P CB 0.726 32.489 31.700 0.105 0.000 0.923 258 N N 2.551 121.292 118.700 0.068 0.000 2.236 258 N HA -0.134 4.606 4.740 -0.001 0.000 0.274 258 N C 0.174 175.719 175.510 0.058 0.000 1.339 258 N CA 0.608 53.685 53.050 0.046 0.000 0.845 258 N CB 0.043 38.542 38.487 0.021 0.000 1.091 258 N HN 0.410 nan 8.380 nan 0.000 0.489 259 D N 1.953 122.386 120.400 0.055 0.000 2.559 259 D HA 0.044 4.683 4.640 -0.001 0.000 0.234 259 D C 0.411 176.739 176.300 0.046 0.000 1.226 259 D CA -0.215 53.822 54.000 0.062 0.000 0.830 259 D CB -0.918 39.932 40.800 0.083 0.000 1.028 259 D HN 0.475 nan 8.370 nan 0.000 0.492 260 N N 0.064 118.787 118.700 0.038 0.000 2.364 260 N HA -0.033 4.707 4.740 -0.001 0.000 0.183 260 N C 0.743 176.296 175.510 0.072 0.000 1.022 260 N CA 0.755 53.831 53.050 0.044 0.000 0.883 260 N CB 0.207 38.717 38.487 0.038 0.000 0.965 260 N HN 0.267 nan 8.380 nan 0.000 0.438 261 A N -0.248 122.624 122.820 0.086 0.000 2.299 261 A HA 0.338 4.657 4.320 -0.001 0.000 0.332 261 A C 0.397 178.079 177.584 0.164 0.000 1.131 261 A CA -0.627 51.484 52.037 0.123 0.000 0.844 261 A CB 0.503 19.565 19.000 0.103 0.000 1.251 261 A HN 0.160 nan 8.150 nan 0.000 0.486 262 F N 0.140 120.123 119.950 0.056 0.000 2.171 262 F HA -0.102 4.424 4.527 -0.001 0.000 0.300 262 F C 1.980 177.825 175.800 0.076 0.000 1.090 262 F CA 2.283 60.324 58.000 0.069 0.000 1.293 262 F CB 0.247 39.279 39.000 0.053 0.000 1.013 262 F HN 0.653 nan 8.300 nan 0.000 0.486 263 E N 0.055 120.322 120.200 0.111 0.000 2.152 263 E HA -0.064 4.286 4.350 -0.001 0.000 0.192 263 E C 2.515 179.105 176.600 -0.017 0.000 0.983 263 E CA 0.910 57.321 56.400 0.019 0.000 0.818 263 E CB -0.913 28.840 29.700 0.088 0.000 0.758 263 E HN 0.525 nan 8.360 nan 0.000 0.467 264 G N 1.465 110.280 108.800 0.024 0.000 2.422 264 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 264 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 264 G C 1.723 176.654 174.900 0.053 0.000 1.146 264 G CA 0.816 45.943 45.100 0.045 0.000 0.769 264 G HN 0.214 nan 8.290 nan 0.000 0.547 265 K N -0.019 120.391 120.400 0.016 0.000 2.031 265 K HA 0.078 4.398 4.320 -0.001 0.000 0.205 265 K C 2.452 179.067 176.600 0.026 0.000 1.049 265 K CA 1.032 57.381 56.287 0.103 0.000 0.939 265 K CB -0.129 32.400 32.500 0.048 0.000 0.717 265 K HN 0.152 nan 8.250 nan 0.000 0.438 266 K N 0.782 121.039 120.400 -0.239 0.000 2.059 266 K HA -0.218 4.101 4.320 -0.001 0.000 0.212 266 K C 2.041 178.569 176.600 -0.119 0.000 1.050 266 K CA 1.480 57.610 56.287 -0.261 0.000 0.927 266 K CB -0.208 32.107 32.500 -0.309 0.000 0.714 266 K HN 0.015 nan 8.250 nan 0.000 0.447 267 L N 1.298 122.498 121.223 -0.040 0.000 2.017 267 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 267 L C 2.100 179.006 176.870 0.061 0.000 1.073 267 L CA 1.676 56.528 54.840 0.020 0.000 0.745 267 L CB -0.410 41.677 42.059 0.046 0.000 0.894 267 L HN 0.116 nan 8.230 nan 0.000 0.432 268 R N -0.583 119.985 120.500 0.113 0.000 2.083 268 R HA -0.162 4.177 4.340 -0.001 0.000 0.237 268 R C 2.234 178.607 176.300 0.122 0.000 1.137 268 R CA 1.825 58.047 56.100 0.203 0.000 0.951 268 R CB -1.068 29.467 30.300 0.392 0.000 0.851 268 R HN 0.382 nan 8.270 nan 0.000 0.434 269 L N 0.735 121.883 121.223 -0.125 0.000 2.156 269 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 269 L C 2.226 179.005 176.870 -0.151 0.000 1.095 269 L CA 1.396 55.984 54.840 -0.420 0.000 0.770 269 L CB -0.210 41.200 42.059 -1.082 0.000 0.914 269 L HN 0.111 nan 8.230 nan 0.000 0.439 270 M N -1.556 118.012 119.600 -0.053 0.000 2.175 270 M HA -0.207 4.273 4.480 -0.001 0.000 0.264 270 M C 2.220 178.623 176.300 0.173 0.000 1.063 270 M CA 1.572 56.917 55.300 0.076 0.000 1.119 270 M CB -0.364 32.274 32.600 0.065 0.000 1.377 270 M HN 0.342 nan 8.290 nan 0.000 0.415 271 Q N 0.111 120.004 119.800 0.155 0.000 2.050 271 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 271 Q C 2.075 178.222 176.000 0.244 0.000 0.980 271 Q CA 1.478 57.414 55.803 0.222 0.000 0.840 271 Q CB -0.156 28.717 28.738 0.225 0.000 0.898 271 Q HN 0.596 nan 8.270 nan 0.000 0.424 272 Q N -0.536 119.380 119.800 0.193 0.000 2.050 272 Q HA -0.205 4.135 4.340 -0.001 0.000 0.202 272 Q C 1.883 177.959 176.000 0.126 0.000 0.980 272 Q CA 1.441 57.350 55.803 0.177 0.000 0.840 272 Q CB -0.212 28.641 28.738 0.192 0.000 0.898 272 Q HN 0.370 nan 8.270 nan 0.000 0.424 273 Y N 0.501 120.798 120.300 -0.006 0.000 2.181 273 Y HA -0.291 4.258 4.550 -0.001 0.000 0.288 273 Y C 1.932 177.830 175.900 -0.004 0.000 1.146 273 Y CA 1.492 59.559 58.100 -0.055 0.000 1.164 273 Y CB -0.489 37.901 38.460 -0.117 0.000 0.982 273 Y HN 0.156 nan 8.280 nan 0.000 0.515 274 F N 1.081 120.912 119.950 -0.197 0.000 2.069 274 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 274 F C 2.579 178.184 175.800 -0.326 0.000 1.113 274 F CA 2.388 60.230 58.000 -0.263 0.000 1.214 274 F CB -1.018 37.949 39.000 -0.055 0.000 0.978 274 F HN 0.203 nan 8.300 nan 0.000 0.474 275 Q N -0.230 119.411 119.800 -0.264 0.000 2.062 275 Q HA -0.280 4.059 4.340 -0.001 0.000 0.209 275 Q C 2.369 178.114 176.000 -0.425 0.000 0.996 275 Q CA 2.842 58.471 55.803 -0.289 0.000 0.859 275 Q CB -0.659 28.119 28.738 0.067 0.000 0.920 275 Q HN 0.590 nan 8.270 nan 0.000 0.415 276 C N -0.340 118.772 119.300 -0.313 0.000 2.457 276 C HA 0.020 4.479 4.460 -0.001 0.000 0.278 276 C C 2.803 177.539 174.990 -0.423 0.000 1.309 276 C CA 0.561 59.416 59.018 -0.271 0.000 1.735 276 C CB -1.219 26.452 27.740 -0.116 0.000 1.992 276 C HN 0.698 nan 8.230 nan 0.000 0.493 277 A N -0.625 121.813 122.820 -0.637 0.000 1.898 277 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 277 A C 2.143 179.338 177.584 -0.647 0.000 1.181 277 A CA 2.100 53.773 52.037 -0.607 0.000 0.620 277 A CB -1.069 17.433 19.000 -0.829 0.000 0.819 277 A HN 0.650 nan 8.150 nan 0.000 0.442 278 C N -0.538 118.154 119.300 -1.012 0.000 2.436 278 C HA -0.078 4.382 4.460 -0.001 0.000 0.277 278 C C 3.279 177.593 174.990 -1.126 0.000 1.241 278 C CA 1.358 59.498 59.018 -1.463 0.000 1.721 278 C CB -1.298 24.791 27.740 -2.751 0.000 2.043 278 C HN 0.621 nan 8.230 nan 0.000 0.472 279 S N 0.772 115.939 115.700 -0.888 0.000 2.348 279 S HA -0.154 4.316 4.470 -0.001 0.000 0.221 279 S C 1.924 176.220 174.600 -0.507 0.000 1.033 279 S CA 1.574 59.356 58.200 -0.697 0.000 1.010 279 S CB -0.537 62.261 63.200 -0.670 0.000 0.891 279 S HN 0.464 nan 8.310 nan 0.000 0.442 280 V N 2.170 121.877 119.914 -0.345 0.000 2.332 280 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 280 V C 2.684 178.685 176.094 -0.155 0.000 1.055 280 V CA 1.789 63.976 62.300 -0.189 0.000 1.038 280 V CB -1.263 30.508 31.823 -0.086 0.000 0.651 280 V HN 0.553 nan 8.190 nan 0.000 0.450 281 A N -0.075 122.629 122.820 -0.193 0.000 1.883 281 A HA -0.323 3.996 4.320 -0.001 0.000 0.217 281 A C 2.058 179.611 177.584 -0.052 0.000 1.186 281 A CA 2.337 54.300 52.037 -0.123 0.000 0.624 281 A CB -0.797 18.101 19.000 -0.171 0.000 0.822 281 A HN 0.606 nan 8.150 nan 0.000 0.444 282 D N -0.363 120.020 120.400 -0.028 0.000 2.123 282 D HA -0.131 4.508 4.640 -0.001 0.000 0.196 282 D C 1.700 178.069 176.300 0.115 0.000 0.992 282 D CA 1.536 55.626 54.000 0.150 0.000 0.833 282 D CB -0.215 40.842 40.800 0.429 0.000 0.954 282 D HN 0.484 nan 8.370 nan 0.000 0.455 283 I N -0.055 120.541 120.570 0.043 0.000 2.179 283 I HA -0.230 3.940 4.170 -0.001 0.000 0.242 283 I C 2.331 178.462 176.117 0.023 0.000 1.088 283 I CA 0.721 62.052 61.300 0.052 0.000 1.357 283 I CB -0.178 37.815 38.000 -0.012 0.000 1.051 283 I HN 0.110 nan 8.210 nan 0.000 0.409 284 L N 0.056 121.274 121.223 -0.010 0.000 2.131 284 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 284 L C 2.725 179.644 176.870 0.082 0.000 1.092 284 L CA 1.142 55.987 54.840 0.008 0.000 0.759 284 L CB -0.592 41.455 42.059 -0.020 0.000 0.903 284 L HN 0.230 nan 8.230 nan 0.000 0.435 285 R N 0.534 121.072 120.500 0.064 0.000 2.073 285 R HA -0.205 4.135 4.340 -0.001 0.000 0.234 285 R C 2.530 178.886 176.300 0.092 0.000 1.134 285 R CA 1.636 57.785 56.100 0.082 0.000 0.952 285 R CB -0.145 30.192 30.300 0.061 0.000 0.850 285 R HN 0.222 nan 8.270 nan 0.000 0.433 286 R N -0.876 119.664 120.500 0.067 0.000 2.066 286 R HA -0.187 4.152 4.340 -0.001 0.000 0.232 286 R C 2.166 178.475 176.300 0.015 0.000 1.131 286 R CA 1.932 58.042 56.100 0.017 0.000 0.955 286 R CB -0.496 29.797 30.300 -0.013 0.000 0.851 286 R HN 0.343 nan 8.270 nan 0.000 0.432 287 H N 0.189 119.216 119.070 -0.072 0.000 2.265 287 H HA -0.254 4.302 4.556 -0.001 0.000 0.293 287 H C 2.145 177.416 175.328 -0.094 0.000 1.089 287 H CA 2.569 58.552 56.048 -0.108 0.000 1.244 287 H CB -0.518 29.194 29.762 -0.084 0.000 1.355 287 H HN 0.346 nan 8.280 nan 0.000 0.485 288 H N -0.127 118.931 119.070 -0.020 0.000 2.319 288 H HA -0.132 4.424 4.556 -0.001 0.000 0.297 288 H C 2.162 177.421 175.328 -0.116 0.000 1.097 288 H CA 1.617 57.619 56.048 -0.077 0.000 1.285 288 H CB -0.153 29.600 29.762 -0.014 0.000 1.368 288 H HN 0.295 nan 8.280 nan 0.000 0.495 289 L N 0.843 122.007 121.223 -0.099 0.000 2.191 289 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 289 L C 2.705 179.449 176.870 -0.209 0.000 1.103 289 L CA 1.344 56.093 54.840 -0.152 0.000 0.769 289 L CB -1.443 40.580 42.059 -0.060 0.000 0.908 289 L HN 0.324 nan 8.230 nan 0.000 0.438 290 A N -0.962 121.716 122.820 -0.237 0.000 2.206 290 A HA 0.242 4.562 4.320 -0.001 0.000 0.211 290 A C 1.736 179.129 177.584 -0.319 0.000 1.158 290 A CA 0.887 52.762 52.037 -0.270 0.000 0.761 290 A CB -0.432 18.383 19.000 -0.308 0.000 0.801 290 A HN 0.538 nan 8.150 nan 0.000 0.473 291 G N -0.957 107.628 108.800 -0.358 0.000 2.136 291 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.242 291 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.242 291 G C 0.244 174.919 174.900 -0.375 0.000 0.989 291 G CA 0.364 45.257 45.100 -0.344 0.000 0.682 291 G HN 0.658 nan 8.290 nan 0.000 0.522 292 R N -0.426 119.756 120.500 -0.530 0.000 2.532 292 R HA 0.631 4.970 4.340 -0.001 0.000 0.272 292 R C 0.002 176.011 176.300 -0.485 0.000 1.032 292 R CA -0.778 54.922 56.100 -0.667 0.000 1.089 292 R CB 0.619 30.173 30.300 -1.243 0.000 1.098 292 R HN -0.046 nan 8.270 nan 0.000 0.526 293 K N 1.453 121.656 120.400 -0.329 0.000 2.098 293 K HA 0.130 4.449 4.320 -0.001 0.000 0.261 293 K C 0.814 177.403 176.600 -0.019 0.000 0.987 293 K CA -0.651 55.536 56.287 -0.168 0.000 0.916 293 K CB 0.907 33.241 32.500 -0.277 0.000 1.039 293 K HN 0.281 nan 8.250 nan 0.000 0.455 294 L N 2.759 123.993 121.223 0.020 0.000 2.131 294 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 294 L C 2.212 179.080 176.870 -0.004 0.000 1.092 294 L CA 1.851 56.697 54.840 0.011 0.000 0.759 294 L CB -0.794 41.214 42.059 -0.086 0.000 0.903 294 L HN 0.780 nan 8.230 nan 0.000 0.435 295 H N -1.500 117.599 119.070 0.049 0.000 2.521 295 H HA -0.004 4.551 4.556 -0.001 0.000 0.286 295 H C 0.677 176.037 175.328 0.053 0.000 1.034 295 H CA 1.071 57.138 56.048 0.032 0.000 1.278 295 H CB -0.050 29.732 29.762 0.033 0.000 1.386 295 H HN 0.486 nan 8.280 nan 0.000 0.567 296 E N 0.727 120.814 120.200 -0.188 0.000 2.496 296 E HA 0.065 4.414 4.350 -0.001 0.000 0.200 296 E C 1.398 178.102 176.600 0.173 0.000 1.016 296 E CA -0.372 56.029 56.400 0.002 0.000 0.962 296 E CB 0.434 30.122 29.700 -0.021 0.000 1.071 296 E HN 0.159 nan 8.360 nan 0.000 0.457 297 L N 1.584 122.811 121.223 0.007 0.000 1.978 297 L HA -0.275 4.065 4.340 -0.001 0.000 0.218 297 L C 2.224 179.041 176.870 -0.087 0.000 1.075 297 L CA 2.471 57.160 54.840 -0.251 0.000 0.767 297 L CB -0.488 41.337 42.059 -0.391 0.000 0.890 297 L HN 0.181 nan 8.230 nan 0.000 0.434 298 A N -1.534 121.220 122.820 -0.110 0.000 2.121 298 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 298 A C 1.846 179.351 177.584 -0.131 0.000 1.154 298 A CA 1.491 53.443 52.037 -0.142 0.000 0.679 298 A CB -0.720 18.170 19.000 -0.183 0.000 0.795 298 A HN 0.607 nan 8.150 nan 0.000 0.458 299 D N -1.779 118.551 120.400 -0.117 0.000 2.312 299 D HA -0.071 4.568 4.640 -0.001 0.000 0.211 299 D C 0.782 176.834 176.300 -0.415 0.000 0.964 299 D CA 1.196 55.027 54.000 -0.281 0.000 0.877 299 D CB -0.042 40.539 40.800 -0.365 0.000 0.924 299 D HN 0.680 nan 8.370 nan 0.000 0.515 300 Y N -0.113 120.194 120.300 0.012 0.000 2.467 300 Y HA 0.216 4.765 4.550 -0.001 0.000 0.259 300 Y C 0.560 176.488 175.900 0.047 0.000 1.084 300 Y CA -0.070 58.061 58.100 0.051 0.000 1.275 300 Y CB 1.045 39.580 38.460 0.124 0.000 1.208 300 Y HN -0.284 nan 8.280 nan 0.000 0.511 301 E N 0.420 120.690 120.200 0.116 0.000 2.292 301 E HA 0.483 4.833 4.350 -0.001 0.000 0.272 301 E C -1.464 175.113 176.600 -0.038 0.000 0.881 301 E CA -0.627 55.807 56.400 0.056 0.000 0.754 301 E CB 3.222 32.922 29.700 0.000 0.000 1.201 301 E HN -0.152 nan 8.360 nan 0.000 0.425 302 V N 3.671 123.564 119.914 -0.036 0.000 2.735 302 V HA 0.554 4.674 4.120 -0.001 0.000 0.310 302 V C -1.018 175.024 176.094 -0.086 0.000 1.061 302 V CA -0.675 61.605 62.300 -0.034 0.000 0.913 302 V CB 1.558 33.425 31.823 0.072 0.000 1.005 302 V HN 0.589 nan 8.190 nan 0.000 0.428 303 I N 5.295 125.807 120.570 -0.098 0.000 2.382 303 I HA 0.436 4.606 4.170 -0.001 0.000 0.286 303 I C -0.620 175.537 176.117 0.066 0.000 1.002 303 I CA -0.580 60.682 61.300 -0.064 0.000 1.135 303 I CB 1.827 39.698 38.000 -0.215 0.000 1.288 303 I HN 0.587 nan 8.210 nan 0.000 0.448 304 Q N 6.864 126.682 119.800 0.029 0.000 2.303 304 Q HA 0.482 4.821 4.340 -0.001 0.000 0.257 304 Q C -1.289 174.687 176.000 -0.041 0.000 0.941 304 Q CA -0.229 55.601 55.803 0.045 0.000 0.931 304 Q CB 1.188 29.943 28.738 0.028 0.000 1.215 304 Q HN 0.560 nan 8.270 nan 0.000 0.437 305 L N 3.795 125.069 121.223 0.085 0.000 2.261 305 L HA 0.395 4.735 4.340 -0.001 0.000 0.289 305 L C 0.023 176.963 176.870 0.117 0.000 1.059 305 L CA -0.752 54.146 54.840 0.097 0.000 0.816 305 L CB 0.582 42.731 42.059 0.151 0.000 1.191 305 L HN 0.565 nan 8.230 nan 0.000 0.431 306 N N 4.075 122.794 118.700 0.032 0.000 2.415 306 N HA 0.094 4.833 4.740 -0.001 0.000 0.246 306 N C -0.177 175.504 175.510 0.285 0.000 1.078 306 N CA 0.447 53.605 53.050 0.180 0.000 0.942 306 N CB 0.135 38.679 38.487 0.095 0.000 1.140 306 N HN 0.613 nan 8.380 nan 0.000 0.501 307 D N 0.342 121.006 120.400 0.441 0.000 4.658 307 D HA -0.220 4.419 4.640 -0.001 0.000 0.304 307 D C 0.274 176.736 176.300 0.270 0.000 2.363 307 D CA 1.558 55.806 54.000 0.412 0.000 1.179 307 D CB -0.473 40.399 40.800 0.120 0.000 1.091 307 D HN 0.554 nan 8.370 nan 0.000 1.274 308 T N -2.466 112.115 114.554 0.045 0.000 3.129 308 T HA 0.095 4.444 4.350 -0.001 0.000 0.251 308 T C 1.613 176.323 174.700 0.016 0.000 1.117 308 T CA 1.426 63.485 62.100 -0.069 0.000 1.034 308 T CB -0.432 68.377 68.868 -0.098 0.000 0.968 308 T HN 0.495 nan 8.240 nan 0.000 0.526 309 H N 2.744 121.921 119.070 0.178 0.000 2.353 309 H HA -0.018 4.538 4.556 -0.000 0.000 0.298 309 H C -0.809 174.618 175.328 0.165 0.000 1.103 309 H CA 1.547 57.719 56.048 0.208 0.000 1.293 309 H CB -0.942 28.958 29.762 0.230 0.000 1.372 309 H HN 0.425 nan 8.280 nan 0.000 0.501 310 P HA 0.103 nan 4.420 nan 0.000 0.249 310 P C 0.352 177.662 177.300 0.017 0.000 1.583 310 P CA 0.401 63.578 63.100 0.128 0.000 0.988 310 P CB 0.416 32.201 31.700 0.141 0.000 1.530 311 T N 0.454 115.007 114.554 -0.003 0.000 2.759 311 T HA -0.149 4.200 4.350 -0.001 0.000 0.269 311 T C 1.539 176.165 174.700 -0.124 0.000 1.042 311 T CA 1.090 63.124 62.100 -0.111 0.000 1.140 311 T CB -0.642 68.178 68.868 -0.079 0.000 0.864 311 T HN 0.089 nan 8.240 nan 0.000 0.455 312 I N 1.396 121.951 120.570 -0.025 0.000 2.850 312 I HA -0.034 4.135 4.170 -0.001 0.000 0.266 312 I C 2.268 178.387 176.117 0.004 0.000 1.257 312 I CA 0.232 61.532 61.300 0.001 0.000 1.465 312 I CB -0.429 37.590 38.000 0.030 0.000 1.091 312 I HN 0.169 nan 8.210 nan 0.000 0.467 313 A N 0.383 123.160 122.820 -0.071 0.000 1.978 313 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 313 A C 2.265 179.735 177.584 -0.189 0.000 1.170 313 A CA 1.898 53.899 52.037 -0.061 0.000 0.636 313 A CB -0.830 18.178 19.000 0.014 0.000 0.810 313 A HN 0.504 nan 8.150 nan 0.000 0.448 314 I N 0.301 120.544 120.570 -0.545 0.000 2.113 314 I HA -0.165 4.004 4.170 -0.001 0.000 0.238 314 I C -0.407 175.619 176.117 -0.152 0.000 1.070 314 I CA 1.704 62.645 61.300 -0.599 0.000 1.332 314 I CB -0.958 36.652 38.000 -0.650 0.000 1.044 314 I HN 0.252 nan 8.210 nan 0.000 0.402 315 P HA -0.145 nan 4.420 nan 0.000 0.229 315 P C 1.176 178.518 177.300 0.070 0.000 1.160 315 P CA 1.311 64.440 63.100 0.049 0.000 0.777 315 P CB 0.035 31.804 31.700 0.115 0.000 0.814 316 E N 0.471 120.776 120.200 0.175 0.000 2.072 316 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 316 E C 1.840 178.520 176.600 0.134 0.000 0.982 316 E CA 0.721 57.281 56.400 0.267 0.000 0.803 316 E CB -1.168 28.732 29.700 0.333 0.000 0.755 316 E HN 0.060 nan 8.360 nan 0.000 0.453 317 L N 0.054 121.347 121.223 0.116 0.000 2.109 317 L HA 0.062 4.401 4.340 -0.001 0.000 0.207 317 L C 2.083 178.974 176.870 0.036 0.000 1.086 317 L CA 1.350 56.247 54.840 0.095 0.000 0.760 317 L CB -0.486 41.673 42.059 0.167 0.000 0.910 317 L HN 0.257 nan 8.230 nan 0.000 0.437 318 L N -0.431 120.789 121.223 -0.006 0.000 2.013 318 L HA -0.271 4.068 4.340 -0.001 0.000 0.212 318 L C 2.853 179.705 176.870 -0.030 0.000 1.073 318 L CA 1.882 56.673 54.840 -0.082 0.000 0.753 318 L CB -0.588 41.376 42.059 -0.158 0.000 0.890 318 L HN 0.327 nan 8.230 nan 0.000 0.432 319 R N -0.176 120.309 120.500 -0.026 0.000 2.083 319 R HA -0.168 4.172 4.340 -0.001 0.000 0.237 319 R C 2.170 178.504 176.300 0.057 0.000 1.137 319 R CA 1.856 57.942 56.100 -0.022 0.000 0.951 319 R CB -0.233 29.980 30.300 -0.144 0.000 0.851 319 R HN 0.184 nan 8.270 nan 0.000 0.434 320 V N 1.332 121.297 119.914 0.085 0.000 2.427 320 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 320 V C 2.353 178.573 176.094 0.211 0.000 1.051 320 V CA 1.500 63.880 62.300 0.133 0.000 1.048 320 V CB -0.324 31.577 31.823 0.130 0.000 0.666 320 V HN 0.319 nan 8.190 nan 0.000 0.456 321 L N -0.779 120.532 121.223 0.147 0.000 2.005 321 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 321 L C 2.332 179.293 176.870 0.151 0.000 1.072 321 L CA 1.740 56.669 54.840 0.148 0.000 0.744 321 L CB -0.468 41.608 42.059 0.029 0.000 0.895 321 L HN 0.234 nan 8.230 nan 0.000 0.433 322 I N -0.275 120.355 120.570 0.100 0.000 2.193 322 I HA -0.239 3.930 4.170 -0.001 0.000 0.240 322 I C 1.888 178.068 176.117 0.105 0.000 1.084 322 I CA 1.271 62.638 61.300 0.111 0.000 1.365 322 I CB -0.250 37.825 38.000 0.125 0.000 1.064 322 I HN 0.229 nan 8.210 nan 0.000 0.410 323 D N 0.152 120.606 120.400 0.090 0.000 2.271 323 D HA -0.068 4.571 4.640 -0.001 0.000 0.206 323 D C 1.790 178.105 176.300 0.026 0.000 0.967 323 D CA 0.899 54.942 54.000 0.072 0.000 0.867 323 D CB 0.039 40.894 40.800 0.091 0.000 0.960 323 D HN 0.409 nan 8.370 nan 0.000 0.509 324 E N -0.750 119.443 120.200 -0.012 0.000 2.473 324 E HA 0.070 4.419 4.350 -0.001 0.000 0.204 324 E C 0.758 177.103 176.600 -0.426 0.000 0.994 324 E CA 0.204 56.492 56.400 -0.186 0.000 0.945 324 E CB 0.548 30.114 29.700 -0.223 0.000 0.990 324 E HN 0.372 nan 8.360 nan 0.000 0.493 325 H N -0.043 119.046 119.070 0.032 0.000 3.058 325 H HA 0.166 4.721 4.556 -0.001 0.000 0.266 325 H C -0.114 175.240 175.328 0.043 0.000 1.135 325 H CA 0.112 56.180 56.048 0.033 0.000 1.174 325 H CB 0.997 30.778 29.762 0.032 0.000 1.581 325 H HN -0.014 nan 8.280 nan 0.000 0.553 326 Q N 0.176 120.045 119.800 0.115 0.000 2.494 326 Q HA -0.166 4.174 4.340 -0.001 0.000 0.272 326 Q C -0.092 175.975 176.000 0.112 0.000 1.145 326 Q CA 0.556 56.418 55.803 0.098 0.000 0.943 326 Q CB -1.863 26.919 28.738 0.073 0.000 1.338 326 Q HN 0.482 nan 8.270 nan 0.000 0.492 327 M N 0.275 119.951 119.600 0.127 0.000 2.240 327 M HA 0.182 4.662 4.480 -0.001 0.000 0.333 327 M C 0.963 177.339 176.300 0.126 0.000 1.110 327 M CA 0.300 55.668 55.300 0.113 0.000 1.173 327 M CB 0.702 33.360 32.600 0.096 0.000 1.458 327 M HN 0.351 nan 8.290 nan 0.000 0.458 328 S N 1.863 117.642 115.700 0.131 0.000 2.584 328 S HA 0.013 4.482 4.470 -0.001 0.000 0.270 328 S C 0.878 175.616 174.600 0.229 0.000 1.346 328 S CA -0.771 57.533 58.200 0.173 0.000 1.018 328 S CB 0.732 64.023 63.200 0.152 0.000 0.899 328 S HN 0.940 nan 8.310 nan 0.000 0.542 329 W N 1.867 123.221 121.300 0.090 0.000 2.335 329 W HA -0.184 4.474 4.660 -0.002 0.000 0.311 329 W C 0.978 177.595 176.519 0.162 0.000 1.213 329 W CA 2.214 59.629 57.345 0.117 0.000 1.274 329 W CB -0.705 28.800 29.460 0.074 0.000 1.148 329 W HN 0.778 nan 8.180 nan 0.000 0.498 330 D N 0.205 120.828 120.400 0.373 0.000 2.144 330 D HA -0.172 4.467 4.640 -0.001 0.000 0.200 330 D C 1.496 177.911 176.300 0.191 0.000 0.978 330 D CA 1.602 55.777 54.000 0.291 0.000 0.833 330 D CB -0.593 40.352 40.800 0.241 0.000 0.961 330 D HN 0.143 nan 8.370 nan 0.000 0.470 331 D N 0.521 121.006 120.400 0.142 0.000 2.178 331 D HA -0.046 4.593 4.640 -0.001 0.000 0.202 331 D C 2.003 178.339 176.300 0.060 0.000 0.974 331 D CA 0.855 54.913 54.000 0.097 0.000 0.841 331 D CB -0.149 40.702 40.800 0.084 0.000 0.953 331 D HN 0.113 nan 8.370 nan 0.000 0.478 332 A N 0.463 123.299 122.820 0.026 0.000 1.873 332 A HA -0.156 4.163 4.320 -0.001 0.000 0.215 332 A C 2.130 179.664 177.584 -0.083 0.000 1.186 332 A CA 0.917 52.923 52.037 -0.052 0.000 0.616 332 A CB -1.168 17.763 19.000 -0.115 0.000 0.823 332 A HN 0.424 nan 8.150 nan 0.000 0.442 333 W N 0.829 121.955 121.300 -0.290 0.000 2.392 333 W HA -0.116 4.543 4.660 -0.002 0.000 0.279 333 W C 2.111 178.582 176.519 -0.080 0.000 1.225 333 W CA 1.646 58.845 57.345 -0.244 0.000 1.233 333 W CB -0.117 29.187 29.460 -0.259 0.000 1.122 333 W HN 0.429 nan 8.180 nan 0.000 0.561 334 A N 0.263 123.141 122.820 0.098 0.000 2.014 334 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 334 A C 1.970 179.523 177.584 -0.051 0.000 1.163 334 A CA 1.309 53.380 52.037 0.056 0.000 0.652 334 A CB -0.700 18.359 19.000 0.098 0.000 0.808 334 A HN 0.301 nan 8.150 nan 0.000 0.449 335 I N -0.050 120.474 120.570 -0.078 0.000 2.277 335 I HA -0.172 3.998 4.170 -0.001 0.000 0.243 335 I C 2.870 178.873 176.117 -0.190 0.000 1.094 335 I CA 1.743 62.974 61.300 -0.116 0.000 1.393 335 I CB -0.469 37.474 38.000 -0.095 0.000 1.078 335 I HN 0.497 nan 8.210 nan 0.000 0.417 336 T N -1.614 112.795 114.554 -0.242 0.000 2.857 336 T HA -0.121 4.229 4.350 -0.001 0.000 0.266 336 T C 2.003 176.553 174.700 -0.250 0.000 1.048 336 T CA 1.185 63.159 62.100 -0.210 0.000 1.139 336 T CB -0.704 68.052 68.868 -0.186 0.000 0.874 336 T HN 0.399 nan 8.240 nan 0.000 0.455 337 S N 1.617 116.994 115.700 -0.537 0.000 2.442 337 S HA -0.005 4.464 4.470 -0.001 0.000 0.236 337 S C 1.774 176.307 174.600 -0.112 0.000 1.007 337 S CA 0.380 58.306 58.200 -0.458 0.000 0.965 337 S CB -0.380 62.472 63.200 -0.581 0.000 0.773 337 S HN 0.401 nan 8.310 nan 0.000 0.504 338 K N 0.539 120.861 120.400 -0.130 0.000 2.358 338 K HA 0.258 4.578 4.320 -0.001 0.000 0.197 338 K C 1.058 177.541 176.600 -0.196 0.000 1.025 338 K CA 0.447 56.629 56.287 -0.176 0.000 1.104 338 K CB 0.180 32.552 32.500 -0.213 0.000 0.855 338 K HN 0.429 nan 8.250 nan 0.000 0.531 339 T N 0.088 114.587 114.554 -0.091 0.000 3.046 339 T HA 0.188 4.537 4.350 -0.001 0.000 0.242 339 T C 0.223 174.869 174.700 -0.090 0.000 1.018 339 T CA 0.236 62.212 62.100 -0.207 0.000 1.131 339 T CB 0.040 68.600 68.868 -0.514 0.000 0.904 339 T HN -0.080 nan 8.240 nan 0.000 0.459 340 F N 1.929 121.953 119.950 0.122 0.000 2.404 340 F HA 0.661 5.188 4.527 -0.001 0.000 0.345 340 F C 0.467 176.209 175.800 -0.098 0.000 1.110 340 F CA -1.277 56.738 58.000 0.025 0.000 1.130 340 F CB 0.679 39.627 39.000 -0.087 0.000 1.129 340 F HN 0.039 nan 8.300 nan 0.000 0.500 341 A N 3.422 126.278 122.820 0.061 0.000 2.374 341 A HA 0.701 5.021 4.320 -0.001 0.000 0.317 341 A C -2.113 175.513 177.584 0.069 0.000 1.094 341 A CA -0.623 51.307 52.037 -0.178 0.000 0.765 341 A CB 1.112 19.987 19.000 -0.208 0.000 1.268 341 A HN 0.656 nan 8.150 nan 0.000 0.438 342 Y N 0.920 121.150 120.300 -0.117 0.000 2.391 342 Y HA 0.644 5.193 4.550 -0.002 0.000 0.341 342 Y C -0.544 175.362 175.900 0.011 0.000 0.965 342 Y CA -0.680 57.390 58.100 -0.050 0.000 1.067 342 Y CB 1.877 40.271 38.460 -0.111 0.000 1.199 342 Y HN 0.541 nan 8.280 nan 0.000 0.450 343 T N 7.009 121.477 114.554 -0.142 0.000 2.767 343 T HA 0.227 4.577 4.350 -0.001 0.000 0.284 343 T C -0.629 173.706 174.700 -0.609 0.000 0.973 343 T CA -0.728 61.197 62.100 -0.291 0.000 0.996 343 T CB 0.228 69.125 68.868 0.048 0.000 0.927 343 T HN 0.657 nan 8.240 nan 0.000 0.456 344 N N 1.961 120.238 118.700 -0.704 0.000 2.455 344 N HA 0.106 4.845 4.740 -0.001 0.000 0.280 344 N C -0.040 175.355 175.510 -0.192 0.000 1.055 344 N CA -0.289 52.544 53.050 -0.361 0.000 0.961 344 N CB 0.664 39.059 38.487 -0.153 0.000 1.121 344 N HN 0.683 nan 8.380 nan 0.000 0.476 345 H N 1.086 120.225 119.070 0.115 0.000 2.581 345 H HA 0.099 4.655 4.556 -0.000 0.000 0.275 345 H C 0.033 175.360 175.328 -0.002 0.000 1.126 345 H CA -0.151 55.896 56.048 -0.003 0.000 1.097 345 H CB 0.764 30.529 29.762 0.005 0.000 1.626 345 H HN 0.557 nan 8.280 nan 0.000 0.565 346 T N 0.234 114.935 114.554 0.245 0.000 2.908 346 T HA 0.604 4.954 4.350 -0.001 0.000 0.290 346 T C -0.630 174.196 174.700 0.210 0.000 1.034 346 T CA -0.799 61.407 62.100 0.178 0.000 1.010 346 T CB 1.890 70.836 68.868 0.131 0.000 1.068 346 T HN 0.078 nan 8.240 nan 0.000 0.481 347 L N 2.593 123.867 121.223 0.086 0.000 2.362 347 L HA 0.813 5.153 4.340 -0.001 0.000 0.271 347 L C -0.169 176.685 176.870 -0.027 0.000 1.002 347 L CA -1.069 53.791 54.840 0.033 0.000 0.818 347 L CB 1.599 43.676 42.059 0.030 0.000 1.298 347 L HN 0.904 nan 8.230 nan 0.000 0.420 348 M N 1.249 120.813 119.600 -0.059 0.000 4.046 348 M HA -0.120 4.359 4.480 -0.001 0.000 0.157 348 M C -2.184 174.081 176.300 -0.059 0.000 1.532 348 M CA -0.316 54.947 55.300 -0.061 0.000 1.097 348 M CB -0.176 32.395 32.600 -0.048 0.000 1.346 348 M HN 0.461 nan 8.290 nan 0.000 0.191 349 P HA -0.127 nan 4.420 nan 0.000 0.220 349 P C 0.513 177.801 177.300 -0.019 0.000 1.148 349 P CA 1.451 64.515 63.100 -0.059 0.000 0.803 349 P CB 0.227 31.883 31.700 -0.073 0.000 0.782 350 E N -0.223 119.964 120.200 -0.023 0.000 2.204 350 E HA -0.068 4.281 4.350 -0.001 0.000 0.194 350 E C 1.879 178.466 176.600 -0.022 0.000 0.989 350 E CA 1.258 57.649 56.400 -0.016 0.000 0.824 350 E CB -0.714 28.977 29.700 -0.015 0.000 0.756 350 E HN 0.197 nan 8.360 nan 0.000 0.477 351 A N 0.543 123.351 122.820 -0.019 0.000 2.275 351 A HA 0.159 4.479 4.320 -0.001 0.000 0.212 351 A C 0.473 178.049 177.584 -0.014 0.000 1.201 351 A CA -0.219 51.805 52.037 -0.022 0.000 0.843 351 A CB -0.238 18.752 19.000 -0.017 0.000 0.873 351 A HN 0.090 nan 8.150 nan 0.000 0.492 352 L N 1.218 122.446 121.223 0.008 0.000 2.462 352 L HA 0.111 4.450 4.340 -0.001 0.000 0.272 352 L C 0.711 177.553 176.870 -0.048 0.000 1.166 352 L CA -0.229 54.632 54.840 0.035 0.000 0.880 352 L CB 0.266 42.392 42.059 0.111 0.000 1.142 352 L HN 0.363 nan 8.230 nan 0.000 0.473 353 E N 4.010 124.160 120.200 -0.083 0.000 2.452 353 E HA 0.076 4.426 4.350 -0.001 0.000 0.261 353 E C -0.507 175.924 176.600 -0.281 0.000 0.987 353 E CA 0.277 56.546 56.400 -0.218 0.000 0.926 353 E CB 0.563 30.159 29.700 -0.174 0.000 0.934 353 E HN 0.435 nan 8.360 nan 0.000 0.452 354 R N 3.316 123.527 120.500 -0.483 0.000 2.698 354 R HA 0.399 4.739 4.340 -0.001 0.000 0.275 354 R C -1.568 174.356 176.300 -0.627 0.000 1.001 354 R CA -0.695 55.133 56.100 -0.455 0.000 0.896 354 R CB 1.375 31.431 30.300 -0.406 0.000 1.218 354 R HN 0.490 nan 8.270 nan 0.000 0.462 355 W N 1.236 122.490 121.300 -0.078 0.000 2.785 355 W HA 0.283 4.943 4.660 0.000 0.000 0.333 355 W C -0.598 175.910 176.519 -0.018 0.000 1.062 355 W CA -0.698 56.627 57.345 -0.035 0.000 1.233 355 W CB 1.495 30.942 29.460 -0.021 0.000 1.413 355 W HN 0.332 nan 8.180 nan 0.000 0.489 356 D N 1.515 122.073 120.400 0.263 0.000 2.525 356 D HA -0.052 4.588 4.640 -0.001 0.000 0.235 356 D C 1.183 177.593 176.300 0.183 0.000 1.137 356 D CA 0.343 54.458 54.000 0.192 0.000 0.868 356 D CB 1.490 42.419 40.800 0.214 0.000 1.180 356 D HN 0.133 nan 8.370 nan 0.000 0.465 357 V N 3.404 123.400 119.914 0.136 0.000 2.324 357 V HA -0.303 3.817 4.120 -0.001 0.000 0.250 357 V C 2.433 178.584 176.094 0.096 0.000 1.060 357 V CA 2.054 64.419 62.300 0.108 0.000 1.042 357 V CB -0.385 31.491 31.823 0.090 0.000 0.650 357 V HN 0.649 nan 8.190 nan 0.000 0.450 358 K N -0.370 120.095 120.400 0.109 0.000 2.059 358 K HA -0.266 4.053 4.320 -0.001 0.000 0.212 358 K C 2.091 178.775 176.600 0.140 0.000 1.050 358 K CA 2.145 58.500 56.287 0.113 0.000 0.927 358 K CB -0.306 32.267 32.500 0.122 0.000 0.714 358 K HN 0.364 nan 8.250 nan 0.000 0.447 359 L N 0.446 121.777 121.223 0.179 0.000 2.027 359 L HA -0.101 4.238 4.340 -0.001 0.000 0.206 359 L C 1.958 178.834 176.870 0.009 0.000 1.074 359 L CA 1.419 56.345 54.840 0.142 0.000 0.745 359 L CB -0.385 41.750 42.059 0.126 0.000 0.898 359 L HN 0.029 nan 8.230 nan 0.000 0.433 360 V N -0.116 119.794 119.914 -0.007 0.000 2.407 360 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 360 V C 2.660 178.706 176.094 -0.080 0.000 1.055 360 V CA 2.043 64.288 62.300 -0.091 0.000 1.049 360 V CB -0.757 31.036 31.823 -0.050 0.000 0.662 360 V HN 0.488 nan 8.190 nan 0.000 0.455 361 K N 0.159 120.548 120.400 -0.019 0.000 2.057 361 K HA -0.104 4.216 4.320 -0.001 0.000 0.206 361 K C 2.173 178.768 176.600 -0.009 0.000 1.050 361 K CA 1.418 57.697 56.287 -0.014 0.000 0.935 361 K CB -0.467 32.045 32.500 0.020 0.000 0.715 361 K HN 0.506 nan 8.250 nan 0.000 0.439 362 G N 0.905 109.717 108.800 0.020 0.000 2.403 362 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 362 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 362 G C 1.328 176.241 174.900 0.023 0.000 1.154 362 G CA 0.354 45.479 45.100 0.042 0.000 0.784 362 G HN 0.214 nan 8.290 nan 0.000 0.538 363 L N -0.601 120.604 121.223 -0.030 0.000 2.209 363 L HA 0.438 4.777 4.340 -0.001 0.000 0.207 363 L C 0.945 177.740 176.870 -0.124 0.000 1.094 363 L CA 1.033 55.835 54.840 -0.063 0.000 0.790 363 L CB 0.206 42.185 42.059 -0.134 0.000 0.932 363 L HN 0.078 nan 8.230 nan 0.000 0.447 364 L N 0.531 121.625 121.223 -0.216 0.000 2.574 364 L HA 0.254 4.593 4.340 -0.001 0.000 0.258 364 L C -1.666 175.006 176.870 -0.330 0.000 1.520 364 L CA -0.797 53.804 54.840 -0.398 0.000 0.775 364 L CB 0.929 42.617 42.059 -0.618 0.000 1.028 364 L HN -0.070 nan 8.230 nan 0.000 0.516 365 P HA -0.219 nan 4.420 nan 0.000 0.216 365 P C 1.408 178.552 177.300 -0.259 0.000 1.150 365 P CA 1.254 64.236 63.100 -0.197 0.000 0.843 365 P CB 0.377 32.020 31.700 -0.094 0.000 0.787 366 R N -0.448 119.740 120.500 -0.521 0.000 2.115 366 R HA -0.109 4.231 4.340 -0.001 0.000 0.226 366 R C 2.275 178.366 176.300 -0.348 0.000 1.100 366 R CA 1.449 57.298 56.100 -0.419 0.000 0.980 366 R CB -1.443 28.544 30.300 -0.522 0.000 0.875 366 R HN 0.237 nan 8.270 nan 0.000 0.445 367 H N -1.039 117.786 119.070 -0.410 0.000 2.389 367 H HA -0.031 4.524 4.556 -0.001 0.000 0.299 367 H C 1.598 176.854 175.328 -0.120 0.000 1.081 367 H CA 1.787 57.694 56.048 -0.235 0.000 1.345 367 H CB -0.163 29.415 29.762 -0.307 0.000 1.393 367 H HN 0.111 nan 8.280 nan 0.000 0.520 368 M N 0.795 120.381 119.600 -0.024 0.000 2.086 368 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 368 M C 1.840 178.154 176.300 0.023 0.000 1.067 368 M CA 1.680 56.983 55.300 0.005 0.000 1.116 368 M CB -0.265 32.327 32.600 -0.014 0.000 1.348 368 M HN 0.236 nan 8.290 nan 0.000 0.407 369 Q N -0.619 119.178 119.800 -0.006 0.000 2.135 369 Q HA -0.166 4.174 4.340 -0.001 0.000 0.204 369 Q C 2.115 178.147 176.000 0.052 0.000 0.981 369 Q CA 1.848 57.657 55.803 0.011 0.000 0.856 369 Q CB -0.318 28.416 28.738 -0.007 0.000 0.902 369 Q HN 0.554 nan 8.270 nan 0.000 0.425 370 I N 0.177 120.794 120.570 0.079 0.000 2.252 370 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 370 I C 2.071 178.347 176.117 0.264 0.000 1.102 370 I CA 0.963 62.401 61.300 0.230 0.000 1.385 370 I CB -0.114 38.000 38.000 0.190 0.000 1.064 370 I HN 0.168 nan 8.210 nan 0.000 0.414 371 I N 0.696 121.371 120.570 0.175 0.000 2.226 371 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 371 I C 2.181 178.401 176.117 0.171 0.000 1.100 371 I CA 1.190 62.600 61.300 0.184 0.000 1.374 371 I CB -0.500 37.583 38.000 0.138 0.000 1.057 371 I HN 0.289 nan 8.210 nan 0.000 0.413 372 N N 0.534 119.307 118.700 0.120 0.000 2.166 372 N HA -0.222 4.518 4.740 -0.001 0.000 0.186 372 N C 1.820 177.365 175.510 0.058 0.000 1.019 372 N CA 1.245 54.354 53.050 0.099 0.000 0.856 372 N CB -0.222 38.302 38.487 0.062 0.000 0.993 372 N HN 0.352 nan 8.380 nan 0.000 0.426 373 E N 1.065 121.260 120.200 -0.008 0.000 2.077 373 E HA -0.020 4.329 4.350 -0.001 0.000 0.193 373 E C 1.984 178.492 176.600 -0.153 0.000 0.989 373 E CA 0.786 57.063 56.400 -0.205 0.000 0.800 373 E CB -0.262 29.165 29.700 -0.455 0.000 0.746 373 E HN 0.327 nan 8.360 nan 0.000 0.452 374 I N 0.769 121.421 120.570 0.137 0.000 2.163 374 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 374 I C 2.312 178.565 176.117 0.227 0.000 1.085 374 I CA 1.450 62.906 61.300 0.259 0.000 1.347 374 I CB -0.501 37.739 38.000 0.398 0.000 1.044 374 I HN 0.221 nan 8.210 nan 0.000 0.408 375 N N 0.518 119.370 118.700 0.253 0.000 2.120 375 N HA -0.166 4.573 4.740 -0.001 0.000 0.188 375 N C 1.780 177.518 175.510 0.380 0.000 1.024 375 N CA 2.020 55.302 53.050 0.388 0.000 0.852 375 N CB -0.208 38.483 38.487 0.340 0.000 1.003 375 N HN 0.174 nan 8.380 nan 0.000 0.424 376 T N -0.074 114.580 114.554 0.167 0.000 2.777 376 T HA -0.013 4.336 4.350 -0.001 0.000 0.266 376 T C 1.935 176.631 174.700 -0.006 0.000 1.040 376 T CA 0.953 63.078 62.100 0.042 0.000 1.141 376 T CB -0.075 68.766 68.868 -0.045 0.000 0.868 376 T HN 0.240 nan 8.240 nan 0.000 0.444 377 R N -0.241 120.247 120.500 -0.018 0.000 2.090 377 R HA 0.061 4.401 4.340 -0.001 0.000 0.228 377 R C 2.067 178.429 176.300 0.104 0.000 1.110 377 R CA 0.961 57.035 56.100 -0.043 0.000 0.973 377 R CB -0.326 29.880 30.300 -0.158 0.000 0.869 377 R HN 0.337 nan 8.270 nan 0.000 0.440 378 F N 1.744 121.750 119.950 0.094 0.000 2.325 378 F HA -0.050 4.476 4.527 -0.002 0.000 0.299 378 F C 1.976 177.904 175.800 0.215 0.000 1.090 378 F CA 1.192 59.331 58.000 0.232 0.000 1.392 378 F CB 0.026 39.255 39.000 0.381 0.000 1.053 378 F HN -0.209 nan 8.300 nan 0.000 0.521 379 K N -0.333 120.056 120.400 -0.019 0.000 2.057 379 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 379 K C 1.951 178.321 176.600 -0.384 0.000 1.049 379 K CA 1.822 57.791 56.287 -0.530 0.000 0.931 379 K CB -0.303 31.732 32.500 -0.775 0.000 0.714 379 K HN 0.224 nan 8.250 nan 0.000 0.440 380 T N 1.862 116.285 114.554 -0.219 0.000 2.635 380 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 380 T C 1.706 176.323 174.700 -0.137 0.000 1.040 380 T CA 1.586 63.593 62.100 -0.156 0.000 1.156 380 T CB -0.262 68.549 68.868 -0.095 0.000 0.863 380 T HN 0.171 nan 8.240 nan 0.000 0.430 381 L N 0.857 122.009 121.223 -0.117 0.000 2.046 381 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 381 L C 2.422 179.196 176.870 -0.160 0.000 1.077 381 L CA 1.278 56.061 54.840 -0.095 0.000 0.747 381 L CB -0.370 41.711 42.059 0.035 0.000 0.896 381 L HN 0.080 nan 8.230 nan 0.000 0.432 382 V N -0.724 119.029 119.914 -0.269 0.000 2.626 382 V HA -0.217 3.903 4.120 -0.001 0.000 0.252 382 V C 2.476 178.592 176.094 0.037 0.000 1.067 382 V CA 1.551 63.816 62.300 -0.058 0.000 1.081 382 V CB -0.359 31.409 31.823 -0.091 0.000 0.686 382 V HN 0.483 nan 8.190 nan 0.000 0.468 383 E N 0.910 121.043 120.200 -0.111 0.000 2.028 383 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 383 E C 2.281 178.834 176.600 -0.078 0.000 0.988 383 E CA 1.394 57.737 56.400 -0.094 0.000 0.799 383 E CB -0.341 29.268 29.700 -0.152 0.000 0.755 383 E HN 0.383 nan 8.360 nan 0.000 0.447 384 K N -0.821 119.516 120.400 -0.105 0.000 2.228 384 K HA -0.163 4.157 4.320 -0.001 0.000 0.205 384 K C 1.388 177.873 176.600 -0.192 0.000 1.045 384 K CA 1.785 57.999 56.287 -0.122 0.000 0.931 384 K CB -0.064 32.372 32.500 -0.107 0.000 0.727 384 K HN 0.224 nan 8.250 nan 0.000 0.458 385 T N -1.413 112.982 114.554 -0.265 0.000 3.042 385 T HA 0.041 4.390 4.350 -0.001 0.000 0.245 385 T C 0.220 174.504 174.700 -0.693 0.000 1.029 385 T CA 0.278 62.017 62.100 -0.602 0.000 1.120 385 T CB 0.204 68.460 68.868 -1.020 0.000 0.917 385 T HN 0.244 nan 8.240 nan 0.000 0.467 386 W N 2.817 124.069 121.300 -0.080 0.000 1.890 386 W HA 0.343 4.997 4.660 -0.010 0.000 0.293 386 W C -3.196 173.286 176.519 -0.062 0.000 0.895 386 W CA -2.636 54.672 57.345 -0.061 0.000 1.968 386 W CB -0.172 29.259 29.460 -0.048 0.000 2.198 386 W HN 0.051 nan 8.180 nan 0.000 0.401 387 P HA 0.020 nan 4.420 nan 0.000 0.264 387 P C 1.086 178.409 177.300 0.038 0.000 1.183 387 P CA 1.577 64.690 63.100 0.022 0.000 0.763 387 P CB 0.547 32.237 31.700 -0.017 0.000 0.807 388 G N 2.029 110.834 108.800 0.010 0.000 2.187 388 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.261 388 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.261 388 G C 0.081 175.002 174.900 0.034 0.000 1.000 388 G CA 0.144 45.249 45.100 0.009 0.000 0.718 388 G HN 0.644 nan 8.290 nan 0.000 0.519 389 D N 0.188 120.626 120.400 0.063 0.000 2.456 389 D HA 0.377 5.017 4.640 -0.001 0.000 0.219 389 D C 1.261 177.602 176.300 0.069 0.000 1.126 389 D CA -0.421 53.617 54.000 0.063 0.000 0.890 389 D CB 0.339 41.189 40.800 0.083 0.000 1.025 389 D HN 0.447 nan 8.370 nan 0.000 0.511 390 E N 2.185 122.427 120.200 0.070 0.000 2.358 390 E HA -0.128 4.222 4.350 -0.001 0.000 0.195 390 E C 1.417 178.069 176.600 0.086 0.000 1.010 390 E CA 0.441 56.914 56.400 0.122 0.000 0.856 390 E CB 0.500 30.265 29.700 0.108 0.000 0.795 390 E HN 0.243 nan 8.360 nan 0.000 0.504 391 K N 0.182 120.588 120.400 0.010 0.000 2.137 391 K HA -0.015 4.305 4.320 -0.001 0.000 0.202 391 K C 1.772 178.294 176.600 -0.129 0.000 1.052 391 K CA 0.659 56.913 56.287 -0.056 0.000 0.961 391 K CB -0.159 32.310 32.500 -0.052 0.000 0.741 391 K HN -0.095 nan 8.250 nan 0.000 0.452 392 V N 0.838 120.667 119.914 -0.142 0.000 2.453 392 V HA -0.161 3.959 4.120 -0.001 0.000 0.247 392 V C 1.887 177.878 176.094 -0.171 0.000 1.048 392 V CA 1.682 63.816 62.300 -0.276 0.000 1.049 392 V CB -0.473 31.061 31.823 -0.482 0.000 0.672 392 V HN 0.568 nan 8.190 nan 0.000 0.457 393 W N 0.789 121.959 121.300 -0.217 0.000 2.335 393 W HA -0.269 4.389 4.660 -0.003 0.000 0.311 393 W C 2.361 178.745 176.519 -0.225 0.000 1.213 393 W CA 1.642 58.895 57.345 -0.152 0.000 1.274 393 W CB -0.232 29.189 29.460 -0.064 0.000 1.148 393 W HN 0.317 nan 8.180 nan 0.000 0.498 394 A N 0.875 123.431 122.820 -0.440 0.000 1.927 394 A HA -0.314 4.005 4.320 -0.001 0.000 0.220 394 A C 1.959 179.108 177.584 -0.725 0.000 1.185 394 A CA 2.433 53.918 52.037 -0.920 0.000 0.639 394 A CB -1.007 17.624 19.000 -0.615 0.000 0.820 394 A HN 0.417 nan 8.150 nan 0.000 0.451 395 K N -0.743 119.381 120.400 -0.461 0.000 2.103 395 K HA 0.084 4.404 4.320 -0.001 0.000 0.204 395 K C 1.451 177.837 176.600 -0.357 0.000 1.052 395 K CA 1.137 57.205 56.287 -0.366 0.000 0.945 395 K CB -0.145 32.171 32.500 -0.306 0.000 0.722 395 K HN 0.525 nan 8.250 nan 0.000 0.443 396 L N 0.171 121.179 121.223 -0.358 0.000 2.616 396 L HA 0.300 4.639 4.340 -0.001 0.000 0.229 396 L C 0.639 177.484 176.870 -0.041 0.000 1.110 396 L CA -0.531 54.227 54.840 -0.138 0.000 0.884 396 L CB 0.120 42.197 42.059 0.029 0.000 1.115 396 L HN 0.023 nan 8.230 nan 0.000 0.481 397 A N 0.496 122.918 122.820 -0.663 0.000 2.483 397 A HA 0.233 4.553 4.320 -0.001 0.000 0.238 397 A C 1.288 178.698 177.584 -0.290 0.000 1.070 397 A CA -0.101 51.396 52.037 -0.901 0.000 0.770 397 A CB 0.695 18.845 19.000 -1.418 0.000 1.008 397 A HN -0.012 nan 8.150 nan 0.000 0.497 398 V N 2.135 122.032 119.914 -0.029 0.000 2.446 398 V HA -0.053 4.066 4.120 -0.001 0.000 0.244 398 V C 0.653 176.848 176.094 0.170 0.000 1.039 398 V CA 1.330 63.692 62.300 0.103 0.000 1.045 398 V CB -0.226 31.691 31.823 0.158 0.000 0.681 398 V HN 0.574 nan 8.190 nan 0.000 0.459 399 V N 1.540 121.549 119.914 0.157 0.000 2.384 399 V HA 0.551 4.670 4.120 -0.001 0.000 0.287 399 V C -0.524 175.670 176.094 0.166 0.000 1.020 399 V CA -0.492 61.930 62.300 0.203 0.000 0.850 399 V CB 1.258 33.194 31.823 0.189 0.000 0.987 399 V HN 0.481 nan 8.190 nan 0.000 0.436 400 H N 3.652 122.771 119.070 0.082 0.000 3.085 400 H HA 0.231 4.788 4.556 0.001 0.000 0.356 400 H C -0.611 174.795 175.328 0.129 0.000 1.178 400 H CA -0.289 55.765 56.048 0.009 0.000 1.214 400 H CB 2.173 31.795 29.762 -0.234 0.000 1.881 400 H HN 0.709 nan 8.280 nan 0.000 0.538 401 D N 3.024 123.258 120.400 -0.277 0.000 2.699 401 D HA -0.185 4.454 4.640 -0.001 0.000 0.239 401 D C -0.179 176.139 176.300 0.030 0.000 1.136 401 D CA 1.570 55.527 54.000 -0.072 0.000 0.668 401 D CB -0.942 39.927 40.800 0.114 0.000 1.060 401 D HN 0.777 nan 8.370 nan 0.000 0.429 402 K N -1.276 119.135 120.400 0.018 0.000 3.035 402 K HA -0.278 4.042 4.320 -0.001 0.000 0.262 402 K C 0.150 176.802 176.600 0.087 0.000 1.024 402 K CA 1.317 57.636 56.287 0.053 0.000 0.748 402 K CB -1.087 31.437 32.500 0.041 0.000 1.247 402 K HN 0.593 nan 8.250 nan 0.000 0.482 403 Q N -0.443 119.429 119.800 0.120 0.000 2.389 403 Q HA 0.541 4.881 4.340 -0.001 0.000 0.277 403 Q C -0.925 175.176 176.000 0.169 0.000 1.082 403 Q CA -1.122 54.740 55.803 0.097 0.000 0.810 403 Q CB 2.931 31.659 28.738 -0.016 0.000 1.374 403 Q HN 0.021 nan 8.270 nan 0.000 0.422 404 V N 1.970 121.969 119.914 0.140 0.000 2.439 404 V HA 0.245 4.365 4.120 -0.001 0.000 0.282 404 V C -0.470 175.680 176.094 0.094 0.000 1.039 404 V CA -0.542 61.875 62.300 0.194 0.000 0.913 404 V CB 1.070 33.014 31.823 0.201 0.000 0.983 404 V HN 0.687 nan 8.190 nan 0.000 0.460 405 H N 6.215 125.339 119.070 0.091 0.000 2.661 405 H HA 0.277 4.832 4.556 -0.000 0.000 0.290 405 H C 0.385 175.745 175.328 0.053 0.000 1.082 405 H CA -0.700 55.386 56.048 0.064 0.000 1.234 405 H CB 1.506 31.306 29.762 0.064 0.000 1.387 405 H HN 0.551 nan 8.280 nan 0.000 0.476 406 M N 1.282 120.935 119.600 0.087 0.000 2.200 406 M HA -0.063 4.417 4.480 -0.001 0.000 0.265 406 M C 2.395 178.653 176.300 -0.070 0.000 1.066 406 M CA 0.794 56.119 55.300 0.041 0.000 1.127 406 M CB -0.852 31.792 32.600 0.074 0.000 1.379 406 M HN 0.603 nan 8.290 nan 0.000 0.420 407 A N 1.086 123.892 122.820 -0.024 0.000 1.902 407 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 407 A C 2.008 179.545 177.584 -0.077 0.000 1.181 407 A CA 1.844 53.835 52.037 -0.077 0.000 0.623 407 A CB -0.797 18.368 19.000 0.275 0.000 0.818 407 A HN 0.444 nan 8.150 nan 0.000 0.443 408 N N -0.264 118.497 118.700 0.102 0.000 2.149 408 N HA -0.136 4.603 4.740 -0.001 0.000 0.188 408 N C 1.489 176.915 175.510 -0.141 0.000 1.019 408 N CA 1.359 54.450 53.050 0.068 0.000 0.857 408 N CB -0.515 38.107 38.487 0.225 0.000 0.997 408 N HN 0.405 nan 8.380 nan 0.000 0.426 409 L N 0.535 121.705 121.223 -0.090 0.000 2.093 409 L HA -0.047 4.293 4.340 -0.001 0.000 0.208 409 L C 1.965 178.691 176.870 -0.239 0.000 1.085 409 L CA 1.364 56.137 54.840 -0.111 0.000 0.755 409 L CB -0.822 41.217 42.059 -0.034 0.000 0.904 409 L HN 0.154 nan 8.230 nan 0.000 0.435 410 C N -1.838 117.248 119.300 -0.358 0.000 2.446 410 C HA -0.100 4.359 4.460 -0.001 0.000 0.277 410 C C 2.719 177.467 174.990 -0.402 0.000 1.275 410 C CA 0.875 59.620 59.018 -0.456 0.000 1.727 410 C CB -0.814 26.407 27.740 -0.865 0.000 2.010 410 C HN 0.454 nan 8.230 nan 0.000 0.486 411 V N 0.455 120.082 119.914 -0.477 0.000 2.379 411 V HA -0.138 3.982 4.120 -0.001 0.000 0.245 411 V C 2.400 178.111 176.094 -0.639 0.000 1.044 411 V CA 1.792 63.735 62.300 -0.595 0.000 1.036 411 V CB -0.640 30.645 31.823 -0.896 0.000 0.664 411 V HN 0.433 nan 8.190 nan 0.000 0.453 412 V N 0.986 120.562 119.914 -0.563 0.000 2.427 412 V HA -0.108 4.012 4.120 -0.001 0.000 0.248 412 V C 2.411 178.399 176.094 -0.178 0.000 1.051 412 V CA 2.094 64.148 62.300 -0.410 0.000 1.048 412 V CB -1.015 30.570 31.823 -0.395 0.000 0.666 412 V HN 0.615 nan 8.190 nan 0.000 0.456 413 G N -0.875 107.814 108.800 -0.185 0.000 2.939 413 G HA2 0.358 4.318 3.960 -0.001 0.000 0.210 413 G HA3 0.358 4.318 3.960 -0.001 0.000 0.210 413 G C 0.593 175.274 174.900 -0.364 0.000 1.160 413 G CA 0.651 45.602 45.100 -0.249 0.000 0.770 413 G HN 0.630 nan 8.290 nan 0.000 0.543 414 G N -0.580 108.034 108.800 -0.309 0.000 2.667 414 G HA2 0.467 4.427 3.960 -0.001 0.000 0.310 414 G HA3 0.467 4.427 3.960 -0.001 0.000 0.310 414 G C 0.166 174.926 174.900 -0.234 0.000 1.259 414 G CA -0.730 44.248 45.100 -0.204 0.000 1.019 414 G HN 0.263 nan 8.290 nan 0.000 0.496 415 F N -1.528 118.318 119.950 -0.174 0.000 2.695 415 F HA 0.743 5.270 4.527 -0.001 0.000 0.303 415 F C 0.410 176.148 175.800 -0.104 0.000 1.091 415 F CA -0.408 57.496 58.000 -0.159 0.000 1.300 415 F CB 0.352 39.301 39.000 -0.084 0.000 1.071 415 F HN 0.561 nan 8.300 nan 0.000 0.578 416 A N 0.468 122.837 122.820 -0.751 0.000 2.566 416 A HA 0.711 5.030 4.320 -0.001 0.000 0.297 416 A C -1.680 175.662 177.584 -0.403 0.000 1.059 416 A CA -0.644 51.077 52.037 -0.528 0.000 0.691 416 A CB 1.309 19.892 19.000 -0.694 0.000 1.282 416 A HN 0.074 nan 8.150 nan 0.000 0.401 417 V N 3.303 122.998 119.914 -0.366 0.000 2.789 417 V HA 0.656 4.775 4.120 -0.001 0.000 0.311 417 V C -0.768 175.252 176.094 -0.123 0.000 1.073 417 V CA -0.784 61.314 62.300 -0.338 0.000 0.921 417 V CB 2.105 33.582 31.823 -0.576 0.000 1.009 417 V HN 1.055 nan 8.190 nan 0.000 0.426 418 N N 2.240 120.875 118.700 -0.108 0.000 2.242 418 N HA 0.595 5.335 4.740 -0.001 0.000 0.292 418 N C -0.308 175.185 175.510 -0.029 0.000 1.125 418 N CA -0.328 52.717 53.050 -0.008 0.000 0.783 418 N CB 2.790 41.267 38.487 -0.017 0.000 1.558 418 N HN 0.710 nan 8.380 nan 0.000 0.472 419 G N -0.755 108.070 108.800 0.042 0.000 2.537 419 G HA2 0.435 4.395 3.960 -0.001 0.000 0.297 419 G HA3 0.435 4.395 3.960 -0.001 0.000 0.297 419 G C 0.654 175.665 174.900 0.186 0.000 1.310 419 G CA -0.284 44.925 45.100 0.183 0.000 1.027 419 G HN 0.770 nan 8.290 nan 0.000 0.505 420 V N -4.262 115.838 119.914 0.310 0.000 3.346 420 V HA 0.723 4.843 4.120 -0.001 0.000 0.309 420 V C 0.422 176.579 176.094 0.106 0.000 1.457 420 V CA 0.521 62.886 62.300 0.108 0.000 1.069 420 V CB -0.471 31.355 31.823 0.005 0.000 0.944 420 V HN 1.374 nan 8.190 nan 0.000 0.449 421 A N -0.572 122.337 122.820 0.149 0.000 2.612 421 A HA 0.894 5.214 4.320 -0.001 0.000 0.293 421 A C 0.879 178.528 177.584 0.107 0.000 1.075 421 A CA 0.028 52.134 52.037 0.116 0.000 0.680 421 A CB 1.013 20.070 19.000 0.096 0.000 1.279 421 A HN 0.965 nan 8.150 nan 0.000 0.411 422 A N 0.461 123.325 122.820 0.074 0.000 1.892 422 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 422 A C 2.023 179.628 177.584 0.035 0.000 1.188 422 A CA 2.048 54.111 52.037 0.043 0.000 0.631 422 A CB -1.002 18.017 19.000 0.032 0.000 0.822 422 A HN 1.776 nan 8.150 nan 0.000 0.447 423 L N -1.389 119.862 121.223 0.046 0.000 1.989 423 L HA -0.249 4.091 4.340 -0.001 0.000 0.211 423 L C 2.599 179.491 176.870 0.035 0.000 1.071 423 L CA 2.652 57.511 54.840 0.031 0.000 0.749 423 L CB -0.831 41.249 42.059 0.034 0.000 0.890 423 L HN 0.671 nan 8.230 nan 0.000 0.431 424 H N -0.119 118.943 119.070 -0.013 0.000 2.289 424 H HA -0.192 4.364 4.556 0.001 0.000 0.296 424 H C 2.154 177.471 175.328 -0.019 0.000 1.091 424 H CA 2.203 58.240 56.048 -0.018 0.000 1.274 424 H CB 0.087 29.843 29.762 -0.009 0.000 1.364 424 H HN 0.486 nan 8.280 nan 0.000 0.490 425 S N 0.226 115.863 115.700 -0.105 0.000 2.402 425 S HA -0.140 4.330 4.470 -0.001 0.000 0.229 425 S C 1.879 176.385 174.600 -0.156 0.000 1.021 425 S CA 1.109 59.216 58.200 -0.154 0.000 0.974 425 S CB -0.263 62.926 63.200 -0.018 0.000 0.800 425 S HN 0.672 nan 8.310 nan 0.000 0.484 426 D N 1.721 122.050 120.400 -0.117 0.000 2.117 426 D HA -0.121 4.519 4.640 -0.001 0.000 0.197 426 D C 1.951 178.158 176.300 -0.155 0.000 0.987 426 D CA 0.882 54.809 54.000 -0.122 0.000 0.829 426 D CB -0.442 40.316 40.800 -0.071 0.000 0.961 426 D HN 0.304 nan 8.370 nan 0.000 0.460 427 L N 0.569 121.695 121.223 -0.160 0.000 2.042 427 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 427 L C 2.894 179.627 176.870 -0.228 0.000 1.076 427 L CA 0.893 55.630 54.840 -0.172 0.000 0.749 427 L CB -0.494 41.479 42.059 -0.142 0.000 0.893 427 L HN 0.040 nan 8.230 nan 0.000 0.432 428 V N -0.615 119.116 119.914 -0.305 0.000 2.282 428 V HA -0.308 3.811 4.120 -0.001 0.000 0.249 428 V C 2.478 178.474 176.094 -0.164 0.000 1.057 428 V CA 1.672 63.840 62.300 -0.220 0.000 1.032 428 V CB -0.323 31.431 31.823 -0.115 0.000 0.645 428 V HN 0.211 nan 8.190 nan 0.000 0.447 429 V N -0.753 119.011 119.914 -0.250 0.000 2.379 429 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 429 V C 2.381 178.325 176.094 -0.250 0.000 1.044 429 V CA 1.938 63.985 62.300 -0.422 0.000 1.036 429 V CB -0.394 31.067 31.823 -0.602 0.000 0.664 429 V HN 0.547 nan 8.190 nan 0.000 0.453 430 K N -0.716 119.575 120.400 -0.181 0.000 2.128 430 K HA 0.004 4.323 4.320 -0.001 0.000 0.202 430 K C 1.335 177.871 176.600 -0.107 0.000 1.050 430 K CA 1.169 57.391 56.287 -0.109 0.000 0.966 430 K CB -0.020 32.428 32.500 -0.086 0.000 0.759 430 K HN 0.393 nan 8.250 nan 0.000 0.454 431 D N -0.097 120.220 120.400 -0.138 0.000 2.417 431 D HA 0.031 4.671 4.640 -0.001 0.000 0.207 431 D C 1.400 177.578 176.300 -0.203 0.000 1.075 431 D CA 0.228 54.143 54.000 -0.142 0.000 0.851 431 D CB 0.525 41.250 40.800 -0.126 0.000 0.976 431 D HN -0.028 nan 8.370 nan 0.000 0.505 432 L N -1.214 119.839 121.223 -0.283 0.000 2.433 432 L HA 0.265 4.605 4.340 -0.001 0.000 0.200 432 L C 0.004 176.521 176.870 -0.589 0.000 1.059 432 L CA 0.893 55.413 54.840 -0.533 0.000 0.835 432 L CB 0.403 42.052 42.059 -0.683 0.000 1.076 432 L HN -0.207 nan 8.230 nan 0.000 0.481 433 F N 0.009 119.968 119.950 0.016 0.000 2.619 433 F HA 0.388 4.914 4.527 -0.001 0.000 0.382 433 F C -1.735 174.057 175.800 -0.013 0.000 1.466 433 F CA -1.911 56.152 58.000 0.105 0.000 1.137 433 F CB -0.209 39.046 39.000 0.424 0.000 1.205 433 F HN -0.038 nan 8.300 nan 0.000 0.525 434 P HA -0.159 nan 4.420 nan 0.000 0.216 434 P C 0.971 178.330 177.300 0.098 0.000 1.153 434 P CA 1.672 64.802 63.100 0.049 0.000 0.848 434 P CB 0.478 32.174 31.700 -0.006 0.000 0.787 435 E N -0.879 119.323 120.200 0.004 0.000 2.072 435 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 435 E C 2.167 178.875 176.600 0.180 0.000 0.985 435 E CA 1.094 57.498 56.400 0.006 0.000 0.801 435 E CB -1.054 28.416 29.700 -0.383 0.000 0.750 435 E HN 0.276 nan 8.360 nan 0.000 0.452 436 Y N 0.345 120.808 120.300 0.270 0.000 2.165 436 Y HA -0.228 4.324 4.550 0.002 0.000 0.286 436 Y C 2.422 178.610 175.900 0.481 0.000 1.155 436 Y CA 1.519 59.861 58.100 0.404 0.000 1.164 436 Y CB -0.933 37.920 38.460 0.655 0.000 0.978 436 Y HN 0.335 nan 8.280 nan 0.000 0.513 437 H N -0.055 119.199 119.070 0.307 0.000 2.353 437 H HA -0.204 4.350 4.556 -0.005 0.000 0.300 437 H C 2.272 177.715 175.328 0.192 0.000 1.090 437 H CA 1.540 57.659 56.048 0.118 0.000 1.327 437 H CB 0.067 29.680 29.762 -0.248 0.000 1.383 437 H HN 0.435 nan 8.280 nan 0.000 0.508 438 Q N 0.567 120.396 119.800 0.048 0.000 2.096 438 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 438 Q C 2.596 178.584 176.000 -0.020 0.000 0.982 438 Q CA 1.452 57.241 55.803 -0.024 0.000 0.850 438 Q CB 0.053 28.856 28.738 0.110 0.000 0.901 438 Q HN 0.526 nan 8.270 nan 0.000 0.422 439 L N -0.750 120.468 121.223 -0.008 0.000 2.141 439 L HA -0.102 4.238 4.340 -0.001 0.000 0.209 439 L C 0.426 177.130 176.870 -0.278 0.000 1.094 439 L CA 0.515 55.182 54.840 -0.288 0.000 0.763 439 L CB 0.026 41.673 42.059 -0.687 0.000 0.908 439 L HN 0.343 nan 8.230 nan 0.000 0.437 440 W N -0.616 120.854 121.300 0.284 0.000 2.451 440 W HA 0.283 4.945 4.660 0.002 0.000 0.285 440 W C -2.078 174.609 176.519 0.280 0.000 1.024 440 W CA -1.691 55.808 57.345 0.257 0.000 1.421 440 W CB 0.021 29.643 29.460 0.270 0.000 1.319 440 W HN -0.122 nan 8.180 nan 0.000 0.366 441 P HA -0.149 nan 4.420 nan 0.000 0.216 441 P C 1.021 178.528 177.300 0.344 0.000 1.153 441 P CA 1.571 64.794 63.100 0.205 0.000 0.844 441 P CB 0.478 32.199 31.700 0.035 0.000 0.787 442 N N 0.070 118.923 118.700 0.254 0.000 2.571 442 N HA -0.076 4.663 4.740 -0.001 0.000 0.189 442 N C 1.629 177.191 175.510 0.087 0.000 1.154 442 N CA 0.456 53.606 53.050 0.167 0.000 0.907 442 N CB -0.251 38.334 38.487 0.162 0.000 0.977 442 N HN 0.349 nan 8.380 nan 0.000 0.449 443 K N 0.004 120.505 120.400 0.169 0.000 2.155 443 K HA -0.005 4.314 4.320 -0.001 0.000 0.203 443 K C -0.188 176.190 176.600 -0.371 0.000 1.052 443 K CA 0.644 56.897 56.287 -0.057 0.000 0.948 443 K CB 0.151 32.597 32.500 -0.089 0.000 0.728 443 K HN -0.108 nan 8.250 nan 0.000 0.448 444 F N 0.884 120.700 119.950 -0.222 0.000 2.397 444 F HA 0.346 4.876 4.527 0.006 0.000 0.331 444 F C 0.615 176.111 175.800 -0.507 0.000 1.090 444 F CA -0.534 57.317 58.000 -0.249 0.000 1.065 444 F CB 1.149 40.094 39.000 -0.091 0.000 1.184 444 F HN 0.020 nan 8.300 nan 0.000 0.499 445 H N 0.498 119.635 119.070 0.111 0.000 2.960 445 H HA 0.292 4.848 4.556 0.001 0.000 0.338 445 H C -1.235 174.080 175.328 -0.021 0.000 1.261 445 H CA -1.016 55.040 56.048 0.014 0.000 1.136 445 H CB 2.316 32.041 29.762 -0.062 0.000 1.875 445 H HN 0.502 nan 8.280 nan 0.000 0.550 446 N N 0.630 119.380 118.700 0.082 0.000 2.272 446 N HA 0.412 5.152 4.740 -0.001 0.000 0.305 446 N C -1.654 173.785 175.510 -0.119 0.000 1.103 446 N CA -0.414 52.633 53.050 -0.004 0.000 0.791 446 N CB 2.316 40.805 38.487 0.002 0.000 1.356 446 N HN 0.229 nan 8.380 nan 0.000 0.486 447 V N 1.941 121.752 119.914 -0.171 0.000 2.577 447 V HA 0.167 4.286 4.120 -0.001 0.000 0.294 447 V C -0.231 175.800 176.094 -0.104 0.000 1.052 447 V CA -0.789 61.332 62.300 -0.298 0.000 0.891 447 V CB 1.365 32.688 31.823 -0.832 0.000 1.017 447 V HN 0.676 nan 8.190 nan 0.000 0.436 448 T N 4.927 119.465 114.554 -0.026 0.000 2.829 448 T HA 0.085 4.434 4.350 -0.001 0.000 0.293 448 T C 0.689 175.499 174.700 0.183 0.000 0.970 448 T CA 0.149 62.305 62.100 0.092 0.000 1.168 448 T CB -0.161 68.774 68.868 0.111 0.000 0.911 448 T HN 0.656 nan 8.240 nan 0.000 0.535 449 N N 1.652 120.497 118.700 0.242 0.000 2.150 449 N HA 0.245 4.984 4.740 -0.001 0.000 0.222 449 N C 0.610 176.326 175.510 0.343 0.000 1.280 449 N CA 0.735 53.985 53.050 0.333 0.000 0.867 449 N CB 0.211 38.813 38.487 0.192 0.000 1.077 449 N HN 0.914 nan 8.380 nan 0.000 0.444 450 G N -1.551 107.480 108.800 0.385 0.000 2.550 450 G HA2 0.573 4.533 3.960 -0.001 0.000 0.293 450 G HA3 0.573 4.533 3.960 -0.001 0.000 0.293 450 G C -1.405 173.655 174.900 0.266 0.000 1.402 450 G CA -0.666 44.631 45.100 0.328 0.000 0.784 450 G HN 0.585 nan 8.290 nan 0.000 0.482 451 I N -2.415 118.294 120.570 0.232 0.000 2.892 451 I HA 0.821 4.990 4.170 -0.001 0.000 0.306 451 I C -0.071 176.236 176.117 0.316 0.000 1.078 451 I CA -1.054 60.379 61.300 0.222 0.000 1.032 451 I CB 2.263 40.282 38.000 0.032 0.000 1.229 451 I HN 0.495 nan 8.210 nan 0.000 0.435 452 T N 3.788 118.596 114.554 0.422 0.000 2.771 452 T HA 0.481 4.830 4.350 -0.001 0.000 0.291 452 T C -1.703 173.161 174.700 0.273 0.000 0.954 452 T CA -1.735 60.536 62.100 0.285 0.000 1.045 452 T CB 0.882 69.855 68.868 0.175 0.000 0.917 452 T HN 0.602 nan 8.240 nan 0.000 0.484 453 P HA -0.016 nan 4.420 nan 0.000 0.222 453 P C 1.224 178.561 177.300 0.063 0.000 1.147 453 P CA 0.621 63.828 63.100 0.179 0.000 0.790 453 P CB 0.287 32.089 31.700 0.170 0.000 0.780 454 R N 0.001 120.455 120.500 -0.078 0.000 2.070 454 R HA -0.032 4.307 4.340 -0.001 0.000 0.227 454 R C 2.620 178.833 176.300 -0.146 0.000 1.147 454 R CA 1.599 57.599 56.100 -0.167 0.000 0.924 454 R CB -1.270 28.918 30.300 -0.187 0.000 0.827 454 R HN 0.056 nan 8.270 nan 0.000 0.431 455 R N -0.707 119.642 120.500 -0.253 0.000 2.081 455 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 455 R C 1.510 177.544 176.300 -0.442 0.000 1.131 455 R CA 1.829 57.630 56.100 -0.499 0.000 0.960 455 R CB -0.221 29.538 30.300 -0.903 0.000 0.856 455 R HN 0.323 nan 8.270 nan 0.000 0.436 456 W N -0.570 120.744 121.300 0.024 0.000 3.139 456 W HA 0.239 4.899 4.660 -0.000 0.000 0.260 456 W C 1.323 177.871 176.519 0.049 0.000 1.312 456 W CA -0.392 56.973 57.345 0.034 0.000 1.606 456 W CB 0.383 29.867 29.460 0.041 0.000 1.118 456 W HN 0.100 nan 8.180 nan 0.000 0.675 457 I N -1.390 119.311 120.570 0.219 0.000 3.623 457 I HA 0.025 4.194 4.170 -0.001 0.000 0.253 457 I C 2.127 178.338 176.117 0.157 0.000 1.144 457 I CA 0.010 61.425 61.300 0.192 0.000 1.461 457 I CB -0.407 37.740 38.000 0.245 0.000 1.575 457 I HN -0.404 nan 8.210 nan 0.000 0.445 458 K N 1.336 121.854 120.400 0.197 0.000 2.034 458 K HA -0.284 4.036 4.320 -0.001 0.000 0.214 458 K C 2.198 178.796 176.600 -0.003 0.000 1.051 458 K CA 2.161 58.518 56.287 0.117 0.000 0.931 458 K CB -0.086 32.395 32.500 -0.033 0.000 0.715 458 K HN 0.242 nan 8.250 nan 0.000 0.446 459 Q N -0.447 119.317 119.800 -0.060 0.000 2.033 459 Q HA -0.121 4.218 4.340 -0.001 0.000 0.196 459 Q C 2.387 178.333 176.000 -0.090 0.000 0.970 459 Q CA 1.660 57.400 55.803 -0.106 0.000 0.828 459 Q CB 0.033 28.681 28.738 -0.149 0.000 0.895 459 Q HN 0.681 nan 8.270 nan 0.000 0.440 460 C N -0.234 119.023 119.300 -0.071 0.000 2.495 460 C HA 0.228 4.688 4.460 -0.001 0.000 0.275 460 C C 1.181 176.163 174.990 -0.013 0.000 1.392 460 C CA -0.208 58.785 59.018 -0.041 0.000 1.766 460 C CB -0.625 27.118 27.740 0.007 0.000 1.933 460 C HN 0.315 nan 8.230 nan 0.000 0.519 461 N N 1.494 120.194 118.700 -0.000 0.000 2.818 461 N HA 0.294 5.034 4.740 -0.001 0.000 0.301 461 N C -1.575 173.922 175.510 -0.023 0.000 1.821 461 N CA -1.908 51.134 53.050 -0.014 0.000 0.930 461 N CB 0.531 39.013 38.487 -0.009 0.000 1.263 461 N HN 0.298 nan 8.380 nan 0.000 0.487 462 P HA -0.118 nan 4.420 nan 0.000 0.216 462 P C 1.031 178.311 177.300 -0.033 0.000 1.150 462 P CA 0.964 64.040 63.100 -0.040 0.000 0.837 462 P CB 0.364 32.012 31.700 -0.087 0.000 0.786 463 A N -0.377 122.409 122.820 -0.058 0.000 1.930 463 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 463 A C 2.220 179.740 177.584 -0.107 0.000 1.175 463 A CA 1.250 53.241 52.037 -0.076 0.000 0.627 463 A CB -1.536 17.412 19.000 -0.086 0.000 0.815 463 A HN 0.166 nan 8.150 nan 0.000 0.443 464 L N -0.080 121.066 121.223 -0.128 0.000 2.027 464 L HA -0.029 4.310 4.340 -0.001 0.000 0.206 464 L C 2.671 179.464 176.870 -0.129 0.000 1.074 464 L CA 2.228 56.963 54.840 -0.176 0.000 0.745 464 L CB -0.917 41.018 42.059 -0.206 0.000 0.898 464 L HN 0.328 nan 8.230 nan 0.000 0.433 465 A N -0.302 122.504 122.820 -0.024 0.000 1.917 465 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 465 A C 2.460 180.157 177.584 0.188 0.000 1.182 465 A CA 2.276 54.415 52.037 0.170 0.000 0.633 465 A CB -1.304 17.914 19.000 0.364 0.000 0.819 465 A HN 0.631 nan 8.150 nan 0.000 0.448 466 A N -0.735 122.134 122.820 0.081 0.000 1.877 466 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 466 A C 2.132 179.726 177.584 0.017 0.000 1.186 466 A CA 1.737 53.809 52.037 0.058 0.000 0.620 466 A CB -0.646 18.359 19.000 0.008 0.000 0.822 466 A HN 0.702 nan 8.150 nan 0.000 0.443 467 L N -0.060 121.128 121.223 -0.058 0.000 2.079 467 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 467 L C 2.279 179.094 176.870 -0.091 0.000 1.081 467 L CA 1.620 56.398 54.840 -0.103 0.000 0.752 467 L CB -0.453 41.485 42.059 -0.201 0.000 0.896 467 L HN 0.425 nan 8.230 nan 0.000 0.433 468 L N -1.016 120.115 121.223 -0.153 0.000 2.083 468 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 468 L C 2.251 179.096 176.870 -0.042 0.000 1.083 468 L CA 1.239 55.904 54.840 -0.291 0.000 0.752 468 L CB -0.913 40.592 42.059 -0.923 0.000 0.899 468 L HN 0.287 nan 8.230 nan 0.000 0.433 469 D N 0.329 120.860 120.400 0.218 0.000 2.097 469 D HA -0.212 4.428 4.640 -0.001 0.000 0.195 469 D C 2.107 178.494 176.300 0.144 0.000 0.989 469 D CA 1.253 55.438 54.000 0.309 0.000 0.827 469 D CB -0.038 40.915 40.800 0.255 0.000 0.966 469 D HN 0.231 nan 8.370 nan 0.000 0.456 470 K N 0.493 120.938 120.400 0.075 0.000 2.097 470 K HA -0.065 4.254 4.320 -0.001 0.000 0.206 470 K C 1.852 178.461 176.600 0.015 0.000 1.049 470 K CA 1.153 57.465 56.287 0.041 0.000 0.933 470 K CB 0.177 32.688 32.500 0.017 0.000 0.717 470 K HN -0.081 nan 8.250 nan 0.000 0.442 471 S N 0.002 115.666 115.700 -0.059 0.000 2.486 471 S HA 0.177 4.647 4.470 -0.001 0.000 0.220 471 S C 0.355 174.917 174.600 -0.063 0.000 1.011 471 S CA -0.010 58.054 58.200 -0.226 0.000 0.921 471 S CB 0.265 63.105 63.200 -0.601 0.000 0.785 471 S HN 0.124 nan 8.310 nan 0.000 0.517 472 L N 1.333 122.570 121.223 0.023 0.000 2.334 472 L HA 0.403 4.743 4.340 -0.001 0.000 0.276 472 L C 1.298 178.244 176.870 0.126 0.000 1.014 472 L CA -0.436 54.459 54.840 0.092 0.000 0.815 472 L CB 1.611 43.737 42.059 0.113 0.000 1.268 472 L HN 0.023 nan 8.230 nan 0.000 0.428 473 Q N 2.067 121.938 119.800 0.119 0.000 2.049 473 Q HA 0.001 4.340 4.340 -0.001 0.000 0.198 473 Q C 0.012 176.075 176.000 0.105 0.000 0.971 473 Q CA 1.136 57.000 55.803 0.102 0.000 0.833 473 Q CB 0.431 29.219 28.738 0.084 0.000 0.896 473 Q HN 0.502 nan 8.270 nan 0.000 0.434 474 K N 1.170 121.639 120.400 0.116 0.000 2.106 474 K HA 0.166 4.486 4.320 -0.001 0.000 0.246 474 K C -0.461 176.230 176.600 0.151 0.000 0.987 474 K CA -0.582 55.770 56.287 0.108 0.000 0.904 474 K CB 0.911 33.465 32.500 0.090 0.000 1.071 474 K HN -0.045 nan 8.250 nan 0.000 0.453 475 E N 2.141 122.392 120.200 0.084 0.000 2.480 475 E HA -0.108 4.241 4.350 -0.001 0.000 0.258 475 E C 0.216 176.845 176.600 0.048 0.000 0.984 475 E CA 0.195 56.597 56.400 0.003 0.000 0.930 475 E CB 0.256 29.931 29.700 -0.042 0.000 0.936 475 E HN 0.653 nan 8.360 nan 0.000 0.466 476 W N 3.859 125.169 121.300 0.018 0.000 2.907 476 W HA 0.309 4.968 4.660 -0.001 0.000 0.271 476 W C 0.954 177.449 176.519 -0.040 0.000 1.253 476 W CA 0.367 57.711 57.345 -0.002 0.000 1.501 476 W CB -0.585 28.877 29.460 0.003 0.000 1.047 476 W HN 0.588 nan 8.180 nan 0.000 0.610 477 A N 2.821 125.113 122.820 -0.881 0.000 2.067 477 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 477 A C 1.410 178.675 177.584 -0.530 0.000 1.158 477 A CA 1.835 53.275 52.037 -0.995 0.000 0.661 477 A CB -0.976 17.131 19.000 -1.488 0.000 0.801 477 A HN 0.433 nan 8.150 nan 0.000 0.452 478 N N -1.551 116.964 118.700 -0.309 0.000 2.365 478 N HA 0.197 4.936 4.740 -0.001 0.000 0.257 478 N C -0.925 174.574 175.510 -0.018 0.000 1.287 478 N CA 0.144 53.122 53.050 -0.121 0.000 0.882 478 N CB 0.392 38.871 38.487 -0.013 0.000 1.250 478 N HN 0.115 nan 8.380 nan 0.000 0.507 479 D N 0.182 120.592 120.400 0.017 0.000 3.118 479 D HA 0.084 4.724 4.640 -0.001 0.000 0.259 479 D C 0.073 176.447 176.300 0.122 0.000 1.292 479 D CA -0.400 53.638 54.000 0.063 0.000 0.784 479 D CB 0.086 40.920 40.800 0.057 0.000 1.413 479 D HN 0.004 nan 8.370 nan 0.000 0.583 480 L N 1.011 122.309 121.223 0.125 0.000 2.291 480 L HA 0.069 4.408 4.340 -0.001 0.000 0.214 480 L C 1.438 178.371 176.870 0.106 0.000 1.120 480 L CA 1.438 56.379 54.840 0.168 0.000 0.799 480 L CB -0.057 42.096 42.059 0.156 0.000 0.925 480 L HN 0.216 nan 8.230 nan 0.000 0.446 481 D N -0.588 119.851 120.400 0.064 0.000 2.228 481 D HA -0.205 4.434 4.640 -0.001 0.000 0.203 481 D C 1.865 178.191 176.300 0.043 0.000 0.988 481 D CA 0.775 54.793 54.000 0.031 0.000 0.864 481 D CB 0.029 40.837 40.800 0.014 0.000 0.928 481 D HN 0.421 nan 8.370 nan 0.000 0.469 482 Q N -0.054 119.794 119.800 0.079 0.000 2.449 482 Q HA -0.131 4.209 4.340 -0.001 0.000 0.214 482 Q C 2.001 178.038 176.000 0.061 0.000 0.986 482 Q CA 0.356 56.212 55.803 0.087 0.000 0.893 482 Q CB -0.196 28.632 28.738 0.150 0.000 0.940 482 Q HN 0.309 nan 8.270 nan 0.000 0.477 483 L N -0.086 121.162 121.223 0.043 0.000 2.291 483 L HA -0.096 4.244 4.340 -0.001 0.000 0.214 483 L C 1.999 178.865 176.870 -0.008 0.000 1.120 483 L CA 0.683 55.517 54.840 -0.010 0.000 0.799 483 L CB -0.653 41.394 42.059 -0.020 0.000 0.925 483 L HN 0.159 nan 8.230 nan 0.000 0.446 484 I N 0.086 120.656 120.570 0.001 0.000 2.454 484 I HA -0.245 3.924 4.170 -0.001 0.000 0.254 484 I C 1.825 177.941 176.117 -0.003 0.000 1.156 484 I CA 1.133 62.427 61.300 -0.009 0.000 1.433 484 I CB -0.432 37.561 38.000 -0.013 0.000 1.082 484 I HN 0.338 nan 8.210 nan 0.000 0.432 485 N N 0.215 118.925 118.700 0.017 0.000 2.609 485 N HA -0.053 4.687 4.740 -0.001 0.000 0.190 485 N C 1.612 177.173 175.510 0.085 0.000 1.157 485 N CA 0.594 53.668 53.050 0.041 0.000 0.918 485 N CB -0.089 38.438 38.487 0.066 0.000 0.978 485 N HN 0.432 nan 8.380 nan 0.000 0.448 486 L N 0.458 121.706 121.223 0.042 0.000 2.509 486 L HA 0.046 4.385 4.340 -0.001 0.000 0.222 486 L C 1.858 178.717 176.870 -0.018 0.000 1.123 486 L CA 0.324 55.188 54.840 0.040 0.000 0.856 486 L CB -0.001 42.033 42.059 -0.042 0.000 0.985 486 L HN 0.098 nan 8.230 nan 0.000 0.456 487 E N 1.029 121.203 120.200 -0.043 0.000 2.070 487 E HA -0.296 4.053 4.350 -0.001 0.000 0.197 487 E C 1.952 178.471 176.600 -0.135 0.000 1.004 487 E CA 1.928 58.276 56.400 -0.087 0.000 0.805 487 E CB -0.011 29.645 29.700 -0.074 0.000 0.744 487 E HN 0.538 nan 8.360 nan 0.000 0.451 488 K N -0.044 120.253 120.400 -0.172 0.000 2.280 488 K HA -0.109 4.210 4.320 -0.001 0.000 0.202 488 K C 1.584 177.952 176.600 -0.387 0.000 1.047 488 K CA 1.201 57.324 56.287 -0.274 0.000 0.942 488 K CB -0.216 32.084 32.500 -0.333 0.000 0.739 488 K HN 0.018 nan 8.250 nan 0.000 0.457 489 F N 1.628 121.328 119.950 -0.416 0.000 2.502 489 F HA 0.131 4.658 4.527 -0.001 0.000 0.298 489 F C 2.401 177.872 175.800 -0.549 0.000 1.111 489 F CA 0.583 58.169 58.000 -0.689 0.000 1.445 489 F CB -0.111 38.021 39.000 -1.446 0.000 1.081 489 F HN 0.133 nan 8.300 nan 0.000 0.558 490 A N -0.627 122.061 122.820 -0.220 0.000 2.121 490 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 490 A C 1.775 179.319 177.584 -0.066 0.000 1.154 490 A CA 1.612 53.583 52.037 -0.110 0.000 0.679 490 A CB -0.499 18.430 19.000 -0.118 0.000 0.795 490 A HN 0.224 nan 8.150 nan 0.000 0.458 491 D N -0.157 120.181 120.400 -0.102 0.000 2.349 491 D HA -0.013 4.627 4.640 -0.001 0.000 0.215 491 D C -0.220 176.054 176.300 -0.043 0.000 1.016 491 D CA 0.383 54.336 54.000 -0.078 0.000 0.870 491 D CB 0.125 40.859 40.800 -0.109 0.000 0.917 491 D HN 0.423 nan 8.370 nan 0.000 0.524 492 D N 0.257 120.650 120.400 -0.012 0.000 2.373 492 D HA 0.290 4.929 4.640 -0.001 0.000 0.227 492 D C 0.998 177.378 176.300 0.134 0.000 1.091 492 D CA -0.553 53.479 54.000 0.052 0.000 0.840 492 D CB 1.531 42.367 40.800 0.061 0.000 1.060 492 D HN -0.117 nan 8.370 nan 0.000 0.502 493 A N 5.532 128.405 122.820 0.088 0.000 1.908 493 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 493 A C 2.063 179.716 177.584 0.115 0.000 1.181 493 A CA 1.075 53.164 52.037 0.087 0.000 0.627 493 A CB -0.313 18.717 19.000 0.050 0.000 0.818 493 A HN 0.545 nan 8.150 nan 0.000 0.445 494 K N -1.203 119.272 120.400 0.125 0.000 2.009 494 K HA -0.156 4.164 4.320 -0.001 0.000 0.210 494 K C 1.764 178.462 176.600 0.164 0.000 1.049 494 K CA 1.579 57.940 56.287 0.123 0.000 0.929 494 K CB -0.665 31.902 32.500 0.112 0.000 0.714 494 K HN 0.491 nan 8.250 nan 0.000 0.440 495 F N 2.191 122.202 119.950 0.101 0.000 2.027 495 F HA -0.305 4.222 4.527 -0.001 0.000 0.297 495 F C 2.449 178.306 175.800 0.095 0.000 1.129 495 F CA 1.878 59.945 58.000 0.111 0.000 1.195 495 F CB -0.271 38.851 39.000 0.203 0.000 0.960 495 F HN 0.006 nan 8.300 nan 0.000 0.485 496 R N -0.180 120.542 120.500 0.370 0.000 2.134 496 R HA -0.310 4.030 4.340 -0.001 0.000 0.248 496 R C 2.343 178.700 176.300 0.094 0.000 1.143 496 R CA 2.193 58.409 56.100 0.194 0.000 0.957 496 R CB -0.940 29.446 30.300 0.143 0.000 0.867 496 R HN 0.546 nan 8.270 nan 0.000 0.441 497 Q N 0.610 120.449 119.800 0.065 0.000 2.167 497 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 497 Q C 1.969 177.962 176.000 -0.012 0.000 0.970 497 Q CA 1.372 57.191 55.803 0.027 0.000 0.855 497 Q CB 0.160 28.913 28.738 0.024 0.000 0.911 497 Q HN 0.466 nan 8.270 nan 0.000 0.438 498 Q N -0.939 118.824 119.800 -0.063 0.000 2.049 498 Q HA -0.174 4.165 4.340 -0.001 0.000 0.198 498 Q C 1.769 177.680 176.000 -0.150 0.000 0.971 498 Q CA 1.379 57.106 55.803 -0.127 0.000 0.833 498 Q CB -0.131 28.487 28.738 -0.200 0.000 0.896 498 Q HN 0.428 nan 8.270 nan 0.000 0.434 499 Y N 1.389 121.475 120.300 -0.356 0.000 2.181 499 Y HA -0.268 4.281 4.550 -0.001 0.000 0.288 499 Y C 2.425 178.251 175.900 -0.123 0.000 1.146 499 Y CA 1.974 59.897 58.100 -0.296 0.000 1.164 499 Y CB -0.047 38.217 38.460 -0.326 0.000 0.982 499 Y HN -0.045 nan 8.280 nan 0.000 0.515 500 R N 0.348 120.954 120.500 0.175 0.000 2.092 500 R HA -0.179 4.160 4.340 -0.001 0.000 0.231 500 R C 2.050 178.346 176.300 -0.006 0.000 1.119 500 R CA 1.930 58.098 56.100 0.114 0.000 0.970 500 R CB -0.372 29.982 30.300 0.090 0.000 0.864 500 R HN 0.421 nan 8.270 nan 0.000 0.440 501 E N 0.243 120.420 120.200 -0.038 0.000 2.150 501 E HA -0.142 4.207 4.350 -0.001 0.000 0.193 501 E C 1.888 178.432 176.600 -0.095 0.000 0.985 501 E CA 1.243 57.605 56.400 -0.063 0.000 0.814 501 E CB 0.000 29.665 29.700 -0.058 0.000 0.752 501 E HN 0.411 nan 8.360 nan 0.000 0.466 502 I N 0.649 121.134 120.570 -0.142 0.000 2.163 502 I HA -0.275 3.894 4.170 -0.001 0.000 0.240 502 I C 2.355 178.379 176.117 -0.156 0.000 1.081 502 I CA 0.950 62.145 61.300 -0.175 0.000 1.353 502 I CB -0.124 37.715 38.000 -0.268 0.000 1.054 502 I HN -0.017 nan 8.210 nan 0.000 0.407 503 K N 0.706 121.004 120.400 -0.170 0.000 2.020 503 K HA -0.242 4.078 4.320 -0.001 0.000 0.212 503 K C 2.165 178.702 176.600 -0.105 0.000 1.050 503 K CA 1.733 57.952 56.287 -0.114 0.000 0.929 503 K CB -0.276 32.199 32.500 -0.042 0.000 0.714 503 K HN 0.191 nan 8.250 nan 0.000 0.443 504 Q N -0.467 119.273 119.800 -0.101 0.000 2.124 504 Q HA -0.038 4.302 4.340 -0.001 0.000 0.202 504 Q C 2.114 178.057 176.000 -0.096 0.000 0.977 504 Q CA 1.569 57.301 55.803 -0.118 0.000 0.850 504 Q CB -0.364 28.318 28.738 -0.094 0.000 0.901 504 Q HN 0.449 nan 8.270 nan 0.000 0.429 505 A N 1.565 124.340 122.820 -0.074 0.000 1.933 505 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 505 A C 1.826 179.390 177.584 -0.034 0.000 1.175 505 A CA 1.433 53.440 52.037 -0.050 0.000 0.628 505 A CB -0.417 18.552 19.000 -0.051 0.000 0.814 505 A HN 0.317 nan 8.150 nan 0.000 0.444 506 N N 0.312 118.985 118.700 -0.045 0.000 2.069 506 N HA -0.150 4.589 4.740 -0.001 0.000 0.191 506 N C 1.576 177.105 175.510 0.031 0.000 1.031 506 N CA 1.667 54.710 53.050 -0.012 0.000 0.852 506 N CB -0.383 38.091 38.487 -0.022 0.000 1.018 506 N HN 0.576 nan 8.380 nan 0.000 0.423 507 K N 0.377 120.755 120.400 -0.036 0.000 2.097 507 K HA -0.014 4.305 4.320 -0.001 0.000 0.206 507 K C 1.988 178.649 176.600 0.102 0.000 1.049 507 K CA 0.643 56.901 56.287 -0.049 0.000 0.933 507 K CB -0.104 32.048 32.500 -0.579 0.000 0.717 507 K HN -0.041 nan 8.250 nan 0.000 0.442 508 V N 1.224 121.155 119.914 0.029 0.000 2.358 508 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 508 V C 2.238 178.392 176.094 0.101 0.000 1.047 508 V CA 1.590 63.929 62.300 0.065 0.000 1.035 508 V CB -0.399 31.437 31.823 0.022 0.000 0.658 508 V HN 0.268 nan 8.190 nan 0.000 0.452 509 R N -0.649 119.902 120.500 0.084 0.000 2.083 509 R HA -0.191 4.148 4.340 -0.001 0.000 0.237 509 R C 2.252 178.643 176.300 0.151 0.000 1.137 509 R CA 1.798 57.953 56.100 0.093 0.000 0.951 509 R CB -0.627 29.704 30.300 0.052 0.000 0.851 509 R HN 0.381 nan 8.270 nan 0.000 0.434 510 L N 0.745 122.080 121.223 0.188 0.000 2.079 510 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 510 L C 2.170 179.190 176.870 0.249 0.000 1.081 510 L CA 1.994 56.981 54.840 0.245 0.000 0.752 510 L CB -0.623 41.605 42.059 0.281 0.000 0.896 510 L HN 0.163 nan 8.230 nan 0.000 0.433 511 A N -1.020 121.944 122.820 0.241 0.000 1.972 511 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 511 A C 2.206 179.874 177.584 0.139 0.000 1.169 511 A CA 1.825 53.968 52.037 0.175 0.000 0.635 511 A CB -0.572 18.541 19.000 0.187 0.000 0.810 511 A HN 0.621 nan 8.150 nan 0.000 0.446 512 E N -1.553 118.738 120.200 0.152 0.000 2.072 512 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 512 E C 1.725 178.424 176.600 0.165 0.000 0.985 512 E CA 1.058 57.538 56.400 0.133 0.000 0.801 512 E CB -0.236 29.541 29.700 0.127 0.000 0.750 512 E HN 0.657 nan 8.360 nan 0.000 0.452 513 F N 1.282 121.263 119.950 0.052 0.000 2.069 513 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 513 F C 2.141 177.968 175.800 0.046 0.000 1.113 513 F CA 1.142 59.172 58.000 0.050 0.000 1.214 513 F CB -0.578 38.456 39.000 0.057 0.000 0.978 513 F HN -0.197 nan 8.300 nan 0.000 0.474 514 V N 0.801 120.754 119.914 0.064 0.000 2.324 514 V HA -0.369 3.750 4.120 -0.001 0.000 0.250 514 V C 2.578 178.636 176.094 -0.061 0.000 1.060 514 V CA 2.414 64.687 62.300 -0.045 0.000 1.042 514 V CB -0.818 31.010 31.823 0.007 0.000 0.650 514 V HN 0.333 nan 8.190 nan 0.000 0.450 515 K N -0.083 120.311 120.400 -0.010 0.000 2.097 515 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 515 K C 2.167 178.748 176.600 -0.032 0.000 1.050 515 K CA 1.779 58.061 56.287 -0.008 0.000 0.938 515 K CB -0.141 32.371 32.500 0.021 0.000 0.718 515 K HN 0.480 nan 8.250 nan 0.000 0.442 516 V N -0.077 119.806 119.914 -0.050 0.000 2.591 516 V HA -0.055 4.064 4.120 -0.001 0.000 0.249 516 V C 1.853 177.871 176.094 -0.128 0.000 1.053 516 V CA 1.013 63.276 62.300 -0.062 0.000 1.068 516 V CB -0.320 31.489 31.823 -0.023 0.000 0.689 516 V HN 0.221 nan 8.190 nan 0.000 0.462 517 R N 1.228 121.579 120.500 -0.248 0.000 2.193 517 R HA 0.074 4.413 4.340 -0.001 0.000 0.213 517 R C 2.029 178.256 176.300 -0.122 0.000 1.055 517 R CA 1.557 57.501 56.100 -0.260 0.000 0.995 517 R CB -0.475 29.539 30.300 -0.477 0.000 0.893 517 R HN 0.835 nan 8.270 nan 0.000 0.459 518 T N -6.300 108.207 114.554 -0.080 0.000 3.028 518 T HA 0.225 4.575 4.350 -0.001 0.000 0.262 518 T C 1.306 176.004 174.700 -0.004 0.000 0.916 518 T CA 0.624 62.713 62.100 -0.018 0.000 0.873 518 T CB 0.919 69.791 68.868 0.006 0.000 1.232 518 T HN 0.242 nan 8.240 nan 0.000 0.529 519 G N 1.940 110.732 108.800 -0.012 0.000 2.205 519 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.261 519 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.261 519 G C 0.010 174.913 174.900 0.005 0.000 0.980 519 G CA 0.189 45.289 45.100 0.000 0.000 0.632 519 G HN 0.698 nan 8.290 nan 0.000 0.533 520 I N 1.745 122.317 120.570 0.004 0.000 2.416 520 I HA 0.281 4.451 4.170 -0.001 0.000 0.288 520 I C 0.746 176.868 176.117 0.008 0.000 1.051 520 I CA -0.371 60.932 61.300 0.006 0.000 1.375 520 I CB 1.290 39.293 38.000 0.005 0.000 1.407 520 I HN 0.267 nan 8.210 nan 0.000 0.516 521 E N 8.688 128.896 120.200 0.014 0.000 2.194 521 E HA 0.345 4.695 4.350 -0.001 0.000 0.284 521 E C -0.858 175.756 176.600 0.023 0.000 1.035 521 E CA -0.542 55.872 56.400 0.023 0.000 0.836 521 E CB 0.893 30.608 29.700 0.025 0.000 1.070 521 E HN 0.627 nan 8.360 nan 0.000 0.401 522 I N 1.337 121.927 120.570 0.034 0.000 2.707 522 I HA 0.482 4.652 4.170 -0.001 0.000 0.309 522 I C -0.430 175.744 176.117 0.094 0.000 1.001 522 I CA -1.255 60.067 61.300 0.036 0.000 1.129 522 I CB 1.669 39.652 38.000 -0.028 0.000 1.308 522 I HN 0.305 nan 8.210 nan 0.000 0.466 523 N N 4.792 123.559 118.700 0.112 0.000 2.462 523 N HA 0.389 5.129 4.740 -0.001 0.000 0.242 523 N C -1.908 173.702 175.510 0.167 0.000 1.010 523 N CA -2.640 50.472 53.050 0.104 0.000 0.939 523 N CB 1.037 39.558 38.487 0.056 0.000 1.127 523 N HN 0.431 nan 8.380 nan 0.000 0.509 524 P HA -0.001 nan 4.420 nan 0.000 0.245 524 P C 0.324 177.552 177.300 -0.120 0.000 1.212 524 P CA 0.601 63.707 63.100 0.011 0.000 0.774 524 P CB 0.633 32.337 31.700 0.006 0.000 0.999 525 Q N -0.420 119.351 119.800 -0.048 0.000 2.384 525 Q HA 0.300 4.639 4.340 -0.001 0.000 0.207 525 Q C 0.852 176.814 176.000 -0.064 0.000 0.904 525 Q CA -0.056 55.710 55.803 -0.061 0.000 0.933 525 Q CB -0.164 28.558 28.738 -0.027 0.000 1.077 525 Q HN 0.138 nan 8.270 nan 0.000 0.522 526 A N 0.335 123.125 122.820 -0.049 0.000 2.425 526 A HA 0.226 4.546 4.320 -0.001 0.000 0.242 526 A C -0.199 177.256 177.584 -0.216 0.000 1.077 526 A CA -0.390 51.592 52.037 -0.092 0.000 0.781 526 A CB -0.039 18.961 19.000 -0.000 0.000 1.020 526 A HN 0.370 nan 8.150 nan 0.000 0.494 527 I N 1.493 121.787 120.570 -0.460 0.000 2.741 527 I HA -0.060 4.110 4.170 -0.001 0.000 0.288 527 I C -0.556 175.465 176.117 -0.159 0.000 1.192 527 I CA 0.424 61.361 61.300 -0.604 0.000 1.426 527 I CB -0.062 37.457 38.000 -0.803 0.000 1.367 527 I HN 0.358 nan 8.210 nan 0.000 0.563 528 F N 5.275 125.029 119.950 -0.328 0.000 2.375 528 F HA 0.211 4.737 4.527 -0.001 0.000 0.362 528 F C 0.542 176.182 175.800 -0.266 0.000 1.129 528 F CA -0.932 56.918 58.000 -0.249 0.000 1.154 528 F CB 0.097 39.021 39.000 -0.127 0.000 1.205 528 F HN 0.385 nan 8.300 nan 0.000 0.513 529 D N 5.383 125.624 120.400 -0.264 0.000 2.349 529 D HA 0.378 5.017 4.640 -0.001 0.000 0.232 529 D C -0.650 175.505 176.300 -0.241 0.000 1.071 529 D CA -0.132 53.691 54.000 -0.295 0.000 0.832 529 D CB 0.955 41.378 40.800 -0.629 0.000 1.086 529 D HN 0.366 nan 8.370 nan 0.000 0.504 530 I N 3.165 123.638 120.570 -0.163 0.000 2.418 530 I HA 0.204 4.373 4.170 -0.001 0.000 0.287 530 I C -0.130 175.851 176.117 -0.226 0.000 1.008 530 I CA -0.657 60.520 61.300 -0.204 0.000 1.104 530 I CB 2.175 40.107 38.000 -0.114 0.000 1.264 530 I HN 0.188 nan 8.210 nan 0.000 0.438 531 Q N 7.909 127.482 119.800 -0.378 0.000 2.381 531 Q HA 0.564 4.903 4.340 -0.001 0.000 0.263 531 Q C -1.179 174.650 176.000 -0.286 0.000 1.030 531 Q CA -0.608 55.014 55.803 -0.301 0.000 0.772 531 Q CB 1.485 30.035 28.738 -0.313 0.000 1.232 531 Q HN 0.693 nan 8.270 nan 0.000 0.476 532 I N 2.186 122.588 120.570 -0.280 0.000 2.495 532 I HA 0.564 4.733 4.170 -0.001 0.000 0.277 532 I C -1.104 174.802 176.117 -0.353 0.000 1.045 532 I CA -0.669 60.334 61.300 -0.494 0.000 1.135 532 I CB 0.659 38.293 38.000 -0.610 0.000 1.241 532 I HN 0.401 nan 8.210 nan 0.000 0.469 533 K N 3.440 123.680 120.400 -0.266 0.000 2.672 533 K HA 0.435 4.754 4.320 -0.001 0.000 0.295 533 K C -1.015 175.576 176.600 -0.015 0.000 1.042 533 K CA -1.179 55.055 56.287 -0.088 0.000 0.869 533 K CB 1.498 33.957 32.500 -0.068 0.000 1.541 533 K HN 0.519 nan 8.250 nan 0.000 0.396 534 R N 0.948 121.470 120.500 0.036 0.000 2.619 534 R HA -0.037 4.302 4.340 -0.001 0.000 0.268 534 R C -0.323 175.988 176.300 0.019 0.000 0.990 534 R CA -0.406 55.730 56.100 0.059 0.000 1.092 534 R CB 0.282 30.617 30.300 0.057 0.000 0.935 534 R HN 0.522 nan 8.270 nan 0.000 0.415 535 L N 6.165 127.414 121.223 0.043 0.000 2.407 535 L HA 0.166 4.505 4.340 -0.001 0.000 0.282 535 L C -0.734 176.069 176.870 -0.113 0.000 1.110 535 L CA 0.729 55.545 54.840 -0.040 0.000 0.863 535 L CB -0.197 41.844 42.059 -0.031 0.000 1.207 535 L HN 0.693 nan 8.230 nan 0.000 0.454 536 H N 3.259 122.182 119.070 -0.245 0.000 2.851 536 H HA 0.137 4.693 4.556 -0.001 0.000 0.372 536 H C 0.429 175.573 175.328 -0.307 0.000 1.158 536 H CA -0.388 55.501 56.048 -0.264 0.000 1.159 536 H CB 1.835 31.341 29.762 -0.427 0.000 1.757 536 H HN 0.683 nan 8.280 nan 0.000 0.546 537 E N 2.208 122.208 120.200 -0.332 0.000 2.065 537 E HA -0.281 4.068 4.350 -0.001 0.000 0.201 537 E C 1.303 177.919 176.600 0.027 0.000 1.016 537 E CA 2.373 58.715 56.400 -0.097 0.000 0.818 537 E CB -0.077 29.688 29.700 0.109 0.000 0.749 537 E HN 0.628 nan 8.360 nan 0.000 0.453 538 Y N -0.007 120.169 120.300 -0.205 0.000 2.509 538 Y HA 0.069 4.620 4.550 0.001 0.000 0.293 538 Y C 1.525 177.353 175.900 -0.120 0.000 1.133 538 Y CA 0.452 58.264 58.100 -0.481 0.000 1.283 538 Y CB -0.031 37.886 38.460 -0.906 0.000 1.001 538 Y HN -0.155 nan 8.280 nan 0.000 0.555 539 K N 1.465 121.703 120.400 -0.269 0.000 2.365 539 K HA 0.002 4.321 4.320 -0.001 0.000 0.199 539 K C 0.281 176.887 176.600 0.009 0.000 1.045 539 K CA 0.787 56.995 56.287 -0.131 0.000 0.962 539 K CB -0.306 32.069 32.500 -0.208 0.000 0.759 539 K HN 0.536 nan 8.250 nan 0.000 0.469 540 R N 0.636 121.201 120.500 0.110 0.000 3.336 540 R HA -0.207 4.132 4.340 -0.001 0.000 0.260 540 R C 0.503 176.920 176.300 0.195 0.000 1.032 540 R CA 0.400 56.639 56.100 0.232 0.000 0.693 540 R CB -2.377 27.947 30.300 0.040 0.000 1.134 540 R HN 0.221 nan 8.270 nan 0.000 0.433 541 Q N 0.434 120.344 119.800 0.184 0.000 2.248 541 Q HA -0.189 4.150 4.340 -0.001 0.000 0.208 541 Q C 2.158 178.256 176.000 0.164 0.000 0.984 541 Q CA 2.126 58.024 55.803 0.159 0.000 0.875 541 Q CB -0.196 28.551 28.738 0.015 0.000 0.910 541 Q HN 0.742 nan 8.270 nan 0.000 0.433 542 H N -0.829 118.217 119.070 -0.040 0.000 2.357 542 H HA -0.079 4.476 4.556 -0.001 0.000 0.301 542 H C 1.909 177.252 175.328 0.025 0.000 1.082 542 H CA 1.011 57.034 56.048 -0.041 0.000 1.342 542 H CB -0.995 28.742 29.762 -0.042 0.000 1.389 542 H HN 0.214 nan 8.280 nan 0.000 0.511 543 L N 1.810 122.984 121.223 -0.082 0.000 1.978 543 L HA -0.261 4.079 4.340 -0.001 0.000 0.218 543 L C 2.292 179.260 176.870 0.163 0.000 1.075 543 L CA 2.485 57.321 54.840 -0.006 0.000 0.767 543 L CB -1.330 40.644 42.059 -0.142 0.000 0.890 543 L HN 0.554 nan 8.230 nan 0.000 0.434 544 N N -1.307 117.476 118.700 0.139 0.000 2.120 544 N HA -0.234 4.506 4.740 -0.001 0.000 0.188 544 N C 2.033 177.649 175.510 0.177 0.000 1.024 544 N CA 1.197 54.407 53.050 0.266 0.000 0.852 544 N CB -0.162 38.469 38.487 0.240 0.000 1.003 544 N HN 0.342 nan 8.380 nan 0.000 0.424 545 L N 1.410 122.700 121.223 0.112 0.000 2.043 545 L HA -0.133 4.207 4.340 -0.001 0.000 0.212 545 L C 1.979 178.840 176.870 -0.017 0.000 1.075 545 L CA 1.403 56.224 54.840 -0.032 0.000 0.752 545 L CB -0.529 41.458 42.059 -0.120 0.000 0.891 545 L HN 0.287 nan 8.230 nan 0.000 0.432 546 L N -1.344 119.947 121.223 0.113 0.000 1.988 546 L HA -0.256 4.083 4.340 -0.001 0.000 0.207 546 L C 2.666 179.729 176.870 0.321 0.000 1.071 546 L CA 1.734 56.686 54.840 0.187 0.000 0.744 546 L CB -1.084 41.105 42.059 0.217 0.000 0.893 546 L HN 0.506 nan 8.230 nan 0.000 0.433 547 H N 0.820 120.072 119.070 0.302 0.000 2.265 547 H HA -0.258 4.298 4.556 -0.000 0.000 0.293 547 H C 2.403 177.678 175.328 -0.088 0.000 1.089 547 H CA 2.489 58.573 56.048 0.061 0.000 1.244 547 H CB -0.093 29.622 29.762 -0.080 0.000 1.355 547 H HN 0.239 nan 8.280 nan 0.000 0.485 548 I N 0.678 121.040 120.570 -0.346 0.000 2.181 548 I HA -0.364 3.806 4.170 -0.001 0.000 0.247 548 I C 2.788 178.748 176.117 -0.262 0.000 1.081 548 I CA 1.316 62.262 61.300 -0.590 0.000 1.340 548 I CB -0.263 37.349 38.000 -0.647 0.000 1.036 548 I HN 0.278 nan 8.210 nan 0.000 0.417 549 L N 0.074 121.230 121.223 -0.112 0.000 2.046 549 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 549 L C 2.827 179.742 176.870 0.075 0.000 1.077 549 L CA 1.325 56.178 54.840 0.021 0.000 0.747 549 L CB -0.766 41.305 42.059 0.019 0.000 0.896 549 L HN 0.247 nan 8.230 nan 0.000 0.432 550 A N 0.300 123.162 122.820 0.071 0.000 1.873 550 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 550 A C 2.288 179.876 177.584 0.007 0.000 1.193 550 A CA 1.871 53.960 52.037 0.086 0.000 0.629 550 A CB -0.946 18.157 19.000 0.172 0.000 0.826 550 A HN 0.359 nan 8.150 nan 0.000 0.447 551 L N -2.049 119.113 121.223 -0.102 0.000 2.042 551 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 551 L C 2.668 179.577 176.870 0.065 0.000 1.076 551 L CA 1.972 56.769 54.840 -0.072 0.000 0.749 551 L CB -0.633 41.326 42.059 -0.166 0.000 0.893 551 L HN 0.633 nan 8.230 nan 0.000 0.432 552 Y N 1.029 121.287 120.300 -0.070 0.000 2.181 552 Y HA -0.274 4.275 4.550 -0.001 0.000 0.288 552 Y C 2.619 178.522 175.900 0.004 0.000 1.146 552 Y CA 1.496 59.583 58.100 -0.020 0.000 1.164 552 Y CB -0.391 38.065 38.460 -0.006 0.000 0.982 552 Y HN 0.049 nan 8.280 nan 0.000 0.515 553 K N 0.417 120.792 120.400 -0.043 0.000 1.991 553 K HA -0.292 4.027 4.320 -0.001 0.000 0.212 553 K C 2.182 178.737 176.600 -0.074 0.000 1.049 553 K CA 2.028 58.241 56.287 -0.123 0.000 0.932 553 K CB -0.409 32.070 32.500 -0.034 0.000 0.717 553 K HN 0.446 nan 8.250 nan 0.000 0.441 554 E N 0.601 120.792 120.200 -0.016 0.000 2.068 554 E HA -0.239 4.111 4.350 -0.001 0.000 0.207 554 E C 1.992 178.587 176.600 -0.008 0.000 1.032 554 E CA 2.191 58.588 56.400 -0.005 0.000 0.839 554 E CB -0.258 29.447 29.700 0.007 0.000 0.758 554 E HN 0.583 nan 8.360 nan 0.000 0.457 555 I N -1.982 118.595 120.570 0.013 0.000 3.059 555 I HA -0.062 4.108 4.170 -0.001 0.000 0.270 555 I C 2.036 178.157 176.117 0.006 0.000 1.238 555 I CA 0.708 62.024 61.300 0.026 0.000 1.478 555 I CB -0.187 37.850 38.000 0.062 0.000 1.097 555 I HN 0.016 nan 8.210 nan 0.000 0.455 556 R N 1.585 122.053 120.500 -0.054 0.000 2.092 556 R HA 0.001 4.341 4.340 -0.001 0.000 0.231 556 R C 0.179 176.440 176.300 -0.066 0.000 1.119 556 R CA 1.157 57.197 56.100 -0.100 0.000 0.970 556 R CB 0.047 30.193 30.300 -0.256 0.000 0.864 556 R HN 0.564 nan 8.270 nan 0.000 0.440 557 E N 0.489 120.655 120.200 -0.056 0.000 3.568 557 E HA 0.164 4.513 4.350 -0.001 0.000 0.213 557 E C -1.018 175.570 176.600 -0.021 0.000 1.197 557 E CA -0.220 56.156 56.400 -0.039 0.000 1.126 557 E CB 0.677 30.350 29.700 -0.046 0.000 1.285 557 E HN 0.067 nan 8.360 nan 0.000 0.418 558 N N 1.644 120.336 118.700 -0.013 0.000 5.251 558 N HA -0.054 4.686 4.740 -0.001 0.000 0.266 558 N C -2.756 172.754 175.510 0.000 0.000 0.790 558 N CA -0.187 52.861 53.050 -0.004 0.000 1.859 558 N CB -0.111 38.374 38.487 -0.002 0.000 1.777 558 N HN 0.156 nan 8.380 nan 0.000 0.781 559 P HA 0.163 nan 4.420 nan 0.000 0.254 559 P C -0.266 177.037 177.300 0.006 0.000 1.631 559 P CA 0.546 63.650 63.100 0.007 0.000 0.861 559 P CB -0.210 31.494 31.700 0.008 0.000 1.663 560 Q N -0.640 119.163 119.800 0.005 0.000 2.155 560 Q HA 0.417 4.756 4.340 -0.001 0.000 0.273 560 Q C 0.273 176.277 176.000 0.006 0.000 0.857 560 Q CA -0.355 55.452 55.803 0.005 0.000 1.116 560 Q CB 0.518 29.259 28.738 0.004 0.000 1.209 560 Q HN 0.109 nan 8.270 nan 0.000 0.460 561 A N 0.481 123.305 122.820 0.007 0.000 2.462 561 A HA 0.059 4.379 4.320 -0.001 0.000 0.243 561 A C 0.561 178.150 177.584 0.007 0.000 1.076 561 A CA -0.076 51.965 52.037 0.007 0.000 0.773 561 A CB 0.359 19.364 19.000 0.009 0.000 1.010 561 A HN 0.209 nan 8.150 nan 0.000 0.493 562 D N 0.344 120.748 120.400 0.007 0.000 2.349 562 D HA -0.004 4.635 4.640 -0.001 0.000 0.224 562 D C 0.199 176.501 176.300 0.004 0.000 1.029 562 D CA 0.389 54.393 54.000 0.007 0.000 0.879 562 D CB 0.034 40.840 40.800 0.009 0.000 0.906 562 D HN 0.320 nan 8.370 nan 0.000 0.528 563 R N 0.502 121.002 120.500 0.001 0.000 2.449 563 R HA 0.080 4.420 4.340 -0.001 0.000 0.296 563 R C 0.118 176.408 176.300 -0.018 0.000 1.047 563 R CA -0.426 55.669 56.100 -0.008 0.000 1.018 563 R CB 0.104 30.400 30.300 -0.006 0.000 0.962 563 R HN -0.061 nan 8.270 nan 0.000 0.428 564 V N 4.570 124.464 119.914 -0.033 0.000 2.673 564 V HA 0.140 4.259 4.120 -0.001 0.000 0.303 564 V C -1.905 174.137 176.094 -0.088 0.000 1.046 564 V CA -1.361 60.906 62.300 -0.054 0.000 1.126 564 V CB 0.327 32.116 31.823 -0.057 0.000 0.934 564 V HN 0.612 nan 8.190 nan 0.000 0.487 565 P HA 0.288 nan 4.420 nan 0.000 0.266 565 P C -0.830 176.382 177.300 -0.147 0.000 1.195 565 P CA 0.222 63.277 63.100 -0.074 0.000 0.768 565 P CB 0.291 31.965 31.700 -0.043 0.000 0.838 566 R N 1.178 121.591 120.500 -0.144 0.000 2.744 566 R HA 0.610 4.949 4.340 -0.001 0.000 0.279 566 R C -1.364 174.804 176.300 -0.220 0.000 0.977 566 R CA -1.068 54.860 56.100 -0.286 0.000 0.906 566 R CB 2.182 32.198 30.300 -0.472 0.000 1.197 566 R HN 0.188 nan 8.270 nan 0.000 0.463 567 V N 3.631 123.367 119.914 -0.296 0.000 2.378 567 V HA 0.411 4.531 4.120 -0.001 0.000 0.288 567 V C -0.799 175.034 176.094 -0.436 0.000 1.016 567 V CA -0.635 61.511 62.300 -0.257 0.000 0.840 567 V CB 1.167 32.811 31.823 -0.298 0.000 0.994 567 V HN 0.519 nan 8.190 nan 0.000 0.431 568 F N 5.491 125.335 119.950 -0.176 0.000 2.410 568 F HA 0.656 5.182 4.527 -0.001 0.000 0.349 568 F C -0.046 175.582 175.800 -0.287 0.000 1.117 568 F CA -0.436 57.420 58.000 -0.241 0.000 1.104 568 F CB 1.389 40.280 39.000 -0.182 0.000 1.122 568 F HN 0.232 nan 8.300 nan 0.000 0.483 569 L N 4.476 125.537 121.223 -0.271 0.000 2.362 569 L HA 0.529 4.868 4.340 -0.001 0.000 0.275 569 L C -1.040 175.551 176.870 -0.465 0.000 0.998 569 L CA -0.384 54.310 54.840 -0.243 0.000 0.820 569 L CB 1.307 43.236 42.059 -0.217 0.000 1.270 569 L HN 0.382 nan 8.230 nan 0.000 0.415 570 F N 0.721 120.530 119.950 -0.235 0.000 2.480 570 F HA 0.793 5.320 4.527 -0.001 0.000 0.329 570 F C 0.727 176.354 175.800 -0.288 0.000 1.091 570 F CA -0.736 56.991 58.000 -0.454 0.000 0.972 570 F CB 2.242 40.589 39.000 -1.090 0.000 1.150 570 F HN 0.404 nan 8.300 nan 0.000 0.467 571 G N 1.165 109.891 108.800 -0.122 0.000 2.707 571 G HA2 0.757 4.716 3.960 -0.001 0.000 0.299 571 G HA3 0.757 4.716 3.960 -0.001 0.000 0.299 571 G C -1.827 173.012 174.900 -0.101 0.000 1.442 571 G CA -0.908 44.180 45.100 -0.019 0.000 1.009 571 G HN 0.995 nan 8.290 nan 0.000 0.515 572 A N 2.316 125.323 122.820 0.312 0.000 2.573 572 A HA 0.628 4.948 4.320 -0.001 0.000 0.312 572 A C -0.861 176.943 177.584 0.366 0.000 1.041 572 A CA -0.805 51.402 52.037 0.283 0.000 0.880 572 A CB 1.028 20.162 19.000 0.223 0.000 1.249 572 A HN 0.582 nan 8.150 nan 0.000 0.385 573 K N 1.013 121.560 120.400 0.244 0.000 2.138 573 K HA 0.745 5.064 4.320 -0.001 0.000 0.263 573 K C -0.076 176.673 176.600 0.248 0.000 0.965 573 K CA -0.355 56.067 56.287 0.224 0.000 0.868 573 K CB 2.314 34.822 32.500 0.014 0.000 1.083 573 K HN 0.967 nan 8.250 nan 0.000 0.443 574 A N 1.743 124.740 122.820 0.296 0.000 2.304 574 A HA 0.606 4.925 4.320 -0.001 0.000 0.323 574 A C -0.200 177.552 177.584 0.279 0.000 1.195 574 A CA -0.681 51.460 52.037 0.174 0.000 0.826 574 A CB 0.900 19.900 19.000 -0.000 0.000 1.184 574 A HN 0.817 nan 8.150 nan 0.000 0.496 575 A N 4.041 127.025 122.820 0.273 0.000 2.603 575 A HA 0.334 4.653 4.320 -0.001 0.000 0.235 575 A C -1.253 176.341 177.584 0.017 0.000 1.035 575 A CA -0.138 52.028 52.037 0.214 0.000 0.755 575 A CB -0.424 18.690 19.000 0.191 0.000 0.954 575 A HN 0.634 nan 8.150 nan 0.000 0.511 576 P HA -0.137 nan 4.420 nan 0.000 0.216 576 P C 1.471 178.606 177.300 -0.275 0.000 1.150 576 P CA 1.948 64.876 63.100 -0.288 0.000 0.843 576 P CB 0.102 31.632 31.700 -0.283 0.000 0.787 577 G N -2.786 105.880 108.800 -0.223 0.000 2.813 577 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.209 577 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.209 577 G C -0.002 174.565 174.900 -0.555 0.000 1.150 577 G CA 0.003 44.876 45.100 -0.379 0.000 0.785 577 G HN 0.200 nan 8.290 nan 0.000 0.535 578 Y N 1.931 121.966 120.300 -0.443 0.000 2.714 578 Y HA 0.412 4.962 4.550 -0.001 0.000 0.333 578 Y C 0.588 176.334 175.900 -0.257 0.000 1.220 578 Y CA -2.511 55.419 58.100 -0.283 0.000 1.513 578 Y CB -0.419 37.939 38.460 -0.171 0.000 1.435 578 Y HN 0.199 nan 8.280 nan 0.000 0.489 579 Y N 2.424 122.849 120.300 0.208 0.000 2.224 579 Y HA -0.255 4.295 4.550 -0.001 0.000 0.289 579 Y C 2.040 177.949 175.900 0.015 0.000 1.146 579 Y CA 1.422 59.562 58.100 0.067 0.000 1.182 579 Y CB -0.492 37.993 38.460 0.041 0.000 0.983 579 Y HN 0.527 nan 8.280 nan 0.000 0.524 580 L N 0.433 121.766 121.223 0.184 0.000 1.988 580 L HA -0.089 4.251 4.340 -0.001 0.000 0.207 580 L C 2.427 179.169 176.870 -0.215 0.000 1.071 580 L CA 2.014 56.872 54.840 0.029 0.000 0.744 580 L CB -1.452 40.677 42.059 0.117 0.000 0.893 580 L HN 0.114 nan 8.230 nan 0.000 0.433 581 A N -0.311 122.137 122.820 -0.620 0.000 1.915 581 A HA -0.340 3.980 4.320 -0.001 0.000 0.220 581 A C 2.380 179.785 177.584 -0.298 0.000 1.198 581 A CA 2.599 54.224 52.037 -0.686 0.000 0.647 581 A CB -0.765 17.540 19.000 -1.159 0.000 0.825 581 A HN 0.589 nan 8.150 nan 0.000 0.456 582 K N -0.914 119.373 120.400 -0.190 0.000 2.211 582 K HA -0.095 4.224 4.320 -0.001 0.000 0.203 582 K C 2.015 178.625 176.600 0.016 0.000 1.050 582 K CA 1.064 57.312 56.287 -0.064 0.000 0.945 582 K CB -0.199 32.276 32.500 -0.043 0.000 0.732 582 K HN 0.648 nan 8.250 nan 0.000 0.451 583 N N 1.015 119.735 118.700 0.034 0.000 2.207 583 N HA -0.080 4.660 4.740 -0.001 0.000 0.182 583 N C 1.825 177.408 175.510 0.121 0.000 1.020 583 N CA 0.596 53.740 53.050 0.157 0.000 0.858 583 N CB 0.130 38.706 38.487 0.149 0.000 0.991 583 N HN 0.066 nan 8.380 nan 0.000 0.427 584 I N 1.570 122.115 120.570 -0.041 0.000 2.118 584 I HA -0.317 3.852 4.170 -0.001 0.000 0.241 584 I C 2.259 178.319 176.117 -0.096 0.000 1.070 584 I CA 1.173 62.398 61.300 -0.125 0.000 1.327 584 I CB -0.286 37.567 38.000 -0.245 0.000 1.034 584 I HN 0.162 nan 8.210 nan 0.000 0.405 585 I N -0.015 120.533 120.570 -0.036 0.000 2.194 585 I HA -0.354 3.815 4.170 -0.001 0.000 0.246 585 I C 2.518 178.599 176.117 -0.059 0.000 1.093 585 I CA 1.563 62.858 61.300 -0.008 0.000 1.355 585 I CB -0.436 37.546 38.000 -0.030 0.000 1.046 585 I HN 0.228 nan 8.210 nan 0.000 0.413 586 F N 1.748 121.619 119.950 -0.132 0.000 2.186 586 F HA -0.157 4.369 4.527 -0.001 0.000 0.299 586 F C 2.361 178.133 175.800 -0.047 0.000 1.090 586 F CA 1.103 59.063 58.000 -0.067 0.000 1.307 586 F CB -0.511 38.518 39.000 0.050 0.000 1.019 586 F HN -0.002 nan 8.300 nan 0.000 0.489 587 A N 0.864 123.533 122.820 -0.252 0.000 1.855 587 A HA -0.115 4.205 4.320 -0.001 0.000 0.215 587 A C 2.348 179.581 177.584 -0.585 0.000 1.191 587 A CA 1.847 53.441 52.037 -0.738 0.000 0.613 587 A CB -1.214 17.342 19.000 -0.740 0.000 0.829 587 A HN 0.419 nan 8.150 nan 0.000 0.442 588 I N 0.241 120.561 120.570 -0.417 0.000 2.151 588 I HA -0.307 3.863 4.170 -0.001 0.000 0.243 588 I C 2.101 178.036 176.117 -0.305 0.000 1.080 588 I CA 1.441 62.502 61.300 -0.399 0.000 1.339 588 I CB -0.449 37.267 38.000 -0.474 0.000 1.039 588 I HN 0.314 nan 8.210 nan 0.000 0.409 589 N N 0.410 118.948 118.700 -0.270 0.000 2.270 589 N HA -0.109 4.630 4.740 -0.001 0.000 0.181 589 N C 1.785 177.171 175.510 -0.206 0.000 1.016 589 N CA 0.907 53.811 53.050 -0.243 0.000 0.870 589 N CB -0.048 38.228 38.487 -0.351 0.000 0.979 589 N HN 0.246 nan 8.380 nan 0.000 0.431 590 K N 0.768 121.005 120.400 -0.271 0.000 2.044 590 K HA 0.071 4.390 4.320 -0.001 0.000 0.204 590 K C 2.117 178.618 176.600 -0.165 0.000 1.049 590 K CA 0.305 56.478 56.287 -0.191 0.000 0.945 590 K CB -0.826 31.537 32.500 -0.227 0.000 0.724 590 K HN -0.056 nan 8.250 nan 0.000 0.440 591 V N 2.043 121.722 119.914 -0.392 0.000 2.231 591 V HA -0.330 3.790 4.120 -0.001 0.000 0.250 591 V C 2.478 178.408 176.094 -0.275 0.000 1.058 591 V CA 2.337 64.312 62.300 -0.541 0.000 1.022 591 V CB -1.022 30.370 31.823 -0.719 0.000 0.640 591 V HN 0.333 nan 8.190 nan 0.000 0.445 592 A N -0.274 122.405 122.820 -0.236 0.000 1.903 592 A HA -0.353 3.966 4.320 -0.001 0.000 0.219 592 A C 1.998 179.522 177.584 -0.101 0.000 1.191 592 A CA 2.457 54.403 52.037 -0.151 0.000 0.638 592 A CB -0.878 18.067 19.000 -0.091 0.000 0.823 592 A HN 0.584 nan 8.150 nan 0.000 0.451 593 D N -0.770 119.589 120.400 -0.068 0.000 2.182 593 D HA -0.083 4.557 4.640 -0.001 0.000 0.201 593 D C 2.017 178.315 176.300 -0.003 0.000 0.986 593 D CA 1.283 55.270 54.000 -0.022 0.000 0.847 593 D CB -0.216 40.584 40.800 0.001 0.000 0.942 593 D HN 0.245 nan 8.370 nan 0.000 0.467 594 V N 0.795 120.723 119.914 0.023 0.000 2.273 594 V HA -0.159 3.961 4.120 -0.001 0.000 0.242 594 V C 2.527 178.602 176.094 -0.031 0.000 1.035 594 V CA 0.825 63.172 62.300 0.077 0.000 1.013 594 V CB -0.276 31.709 31.823 0.270 0.000 0.652 594 V HN 0.150 nan 8.190 nan 0.000 0.452 595 I N 0.802 121.239 120.570 -0.222 0.000 2.087 595 I HA -0.341 3.829 4.170 -0.001 0.000 0.240 595 I C 2.363 178.376 176.117 -0.174 0.000 1.054 595 I CA 2.074 63.116 61.300 -0.430 0.000 1.311 595 I CB -0.748 36.926 38.000 -0.543 0.000 1.024 595 I HN 0.362 nan 8.210 nan 0.000 0.402 596 N N 0.947 119.577 118.700 -0.116 0.000 2.205 596 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 596 N C 1.361 176.856 175.510 -0.026 0.000 1.015 596 N CA 1.219 54.234 53.050 -0.058 0.000 0.862 596 N CB -0.410 38.056 38.487 -0.036 0.000 0.986 596 N HN 0.436 nan 8.380 nan 0.000 0.429 597 N N 0.203 118.894 118.700 -0.015 0.000 2.325 597 N HA -0.054 4.686 4.740 -0.001 0.000 0.182 597 N C -0.443 175.080 175.510 0.023 0.000 1.088 597 N CA 0.000 53.055 53.050 0.008 0.000 0.879 597 N CB 0.199 38.695 38.487 0.015 0.000 0.983 597 N HN 0.193 nan 8.380 nan 0.000 0.471 598 D N 2.190 122.608 120.400 0.030 0.000 2.412 598 D HA 0.043 4.683 4.640 -0.001 0.000 0.257 598 D C -1.575 174.762 176.300 0.061 0.000 1.217 598 D CA -1.559 52.486 54.000 0.075 0.000 0.897 598 D CB 1.452 42.347 40.800 0.158 0.000 1.132 598 D HN 0.068 nan 8.370 nan 0.000 0.493 599 P HA -0.029 nan 4.420 nan 0.000 0.222 599 P C 1.314 178.641 177.300 0.045 0.000 1.153 599 P CA 0.425 63.549 63.100 0.040 0.000 0.798 599 P CB -0.040 31.678 31.700 0.031 0.000 0.796 600 L N -3.260 117.999 121.223 0.060 0.000 2.610 600 L HA 0.099 4.439 4.340 -0.001 0.000 0.232 600 L C 1.409 178.324 176.870 0.074 0.000 1.149 600 L CA 1.207 56.082 54.840 0.058 0.000 0.872 600 L CB -0.657 41.434 42.059 0.054 0.000 0.992 600 L HN -0.253 nan 8.230 nan 0.000 0.447 601 V N -0.097 119.869 119.914 0.086 0.000 2.922 601 V HA 0.451 4.570 4.120 -0.001 0.000 0.242 601 V C 1.820 177.944 176.094 0.050 0.000 1.094 601 V CA 0.769 63.123 62.300 0.090 0.000 1.106 601 V CB -0.482 31.399 31.823 0.098 0.000 0.799 601 V HN 0.743 nan 8.190 nan 0.000 0.474 602 G N 0.917 109.740 108.800 0.038 0.000 2.566 602 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.280 602 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.280 602 G C 0.151 175.062 174.900 0.019 0.000 1.225 602 G CA 0.482 45.597 45.100 0.026 0.000 0.966 602 G HN 0.364 nan 8.290 nan 0.000 0.560 603 D N 0.881 121.291 120.400 0.017 0.000 2.434 603 D HA 0.242 4.881 4.640 -0.001 0.000 0.232 603 D C 2.020 178.326 176.300 0.010 0.000 1.166 603 D CA 0.155 54.163 54.000 0.014 0.000 0.830 603 D CB 0.174 40.984 40.800 0.016 0.000 0.960 603 D HN 0.467 nan 8.370 nan 0.000 0.497 604 K N -0.454 119.955 120.400 0.014 0.000 2.116 604 K HA 0.044 4.363 4.320 -0.001 0.000 0.203 604 K C 0.427 177.033 176.600 0.009 0.000 1.052 604 K CA 0.457 56.752 56.287 0.012 0.000 0.952 604 K CB 0.758 33.274 32.500 0.028 0.000 0.729 604 K HN 0.036 nan 8.250 nan 0.000 0.446 605 L N 0.477 121.708 121.223 0.014 0.000 2.526 605 L HA 0.341 4.680 4.340 -0.001 0.000 0.263 605 L C -2.008 174.863 176.870 0.001 0.000 0.943 605 L CA -0.417 54.437 54.840 0.023 0.000 0.859 605 L CB 1.795 43.879 42.059 0.043 0.000 1.313 605 L HN -0.236 nan 8.230 nan 0.000 0.406 606 K N 3.787 124.201 120.400 0.022 0.000 2.532 606 K HA 0.768 5.088 4.320 -0.001 0.000 0.265 606 K C -1.814 174.820 176.600 0.057 0.000 0.948 606 K CA -0.748 55.542 56.287 0.005 0.000 0.842 606 K CB 2.825 35.316 32.500 -0.016 0.000 1.392 606 K HN 0.376 nan 8.250 nan 0.000 0.436 607 V N 1.867 121.803 119.914 0.037 0.000 2.525 607 V HA 0.418 4.537 4.120 -0.001 0.000 0.299 607 V C -0.897 175.250 176.094 0.087 0.000 1.034 607 V CA -0.867 61.490 62.300 0.095 0.000 0.863 607 V CB 1.982 33.832 31.823 0.046 0.000 0.999 607 V HN 0.460 nan 8.190 nan 0.000 0.423 608 V N 5.523 125.513 119.914 0.125 0.000 2.447 608 V HA 0.437 4.557 4.120 -0.001 0.000 0.292 608 V C -0.969 175.278 176.094 0.255 0.000 1.021 608 V CA -0.494 61.886 62.300 0.135 0.000 0.850 608 V CB 1.806 33.655 31.823 0.043 0.000 1.005 608 V HN 0.685 nan 8.190 nan 0.000 0.426 609 F N 5.895 125.938 119.950 0.155 0.000 2.334 609 F HA 0.588 5.114 4.527 -0.001 0.000 0.367 609 F C -0.126 175.841 175.800 0.280 0.000 1.115 609 F CA -1.357 56.778 58.000 0.224 0.000 1.116 609 F CB 0.955 39.975 39.000 0.034 0.000 1.230 609 F HN 0.338 nan 8.300 nan 0.000 0.484 610 L N 8.804 130.399 121.223 0.620 0.000 2.361 610 L HA 0.297 4.637 4.340 -0.001 0.000 0.278 610 L C -1.898 175.215 176.870 0.405 0.000 1.113 610 L CA -1.778 53.309 54.840 0.412 0.000 0.849 610 L CB 0.570 42.811 42.059 0.304 0.000 1.155 610 L HN 0.450 nan 8.230 nan 0.000 0.452 611 P HA 0.044 nan 4.420 nan 0.000 0.275 611 P C -0.410 176.840 177.300 -0.083 0.000 1.227 611 P CA 0.019 62.951 63.100 -0.281 0.000 0.781 611 P CB 0.930 32.285 31.700 -0.574 0.000 0.906 612 D N 0.221 120.570 120.400 -0.084 0.000 2.798 612 D HA -0.219 4.420 4.640 -0.001 0.000 0.237 612 D C -0.828 175.514 176.300 0.069 0.000 1.092 612 D CA 0.371 54.346 54.000 -0.041 0.000 0.727 612 D CB -2.130 38.627 40.800 -0.071 0.000 1.087 612 D HN 0.358 nan 8.370 nan 0.000 0.437 613 Y N 0.935 121.260 120.300 0.042 0.000 2.810 613 Y HA 0.261 4.810 4.550 -0.001 0.000 0.332 613 Y C 0.831 176.746 175.900 0.025 0.000 1.243 613 Y CA 0.300 58.447 58.100 0.078 0.000 1.537 613 Y CB 0.069 38.598 38.460 0.114 0.000 1.265 613 Y HN 0.438 nan 8.280 nan 0.000 0.572 614 C N 3.049 122.009 119.300 -0.567 0.000 3.284 614 C HA 0.432 4.891 4.460 -0.001 0.000 0.348 614 C C 0.996 175.747 174.990 -0.399 0.000 1.448 614 C CA -0.533 58.227 59.018 -0.432 0.000 1.223 614 C CB 0.569 28.193 27.740 -0.195 0.000 1.588 614 C HN 0.622 nan 8.230 nan 0.000 0.451 615 V N 1.407 121.204 119.914 -0.196 0.000 2.343 615 V HA -0.161 3.958 4.120 -0.001 0.000 0.247 615 V C 2.657 178.737 176.094 -0.024 0.000 1.051 615 V CA 2.994 65.281 62.300 -0.023 0.000 1.036 615 V CB -0.910 30.914 31.823 0.002 0.000 0.654 615 V HN 0.964 nan 8.190 nan 0.000 0.451 616 S N 0.042 115.701 115.700 -0.069 0.000 2.359 616 S HA -0.221 4.248 4.470 -0.001 0.000 0.224 616 S C 2.213 176.767 174.600 -0.078 0.000 1.035 616 S CA 1.568 59.725 58.200 -0.071 0.000 1.018 616 S CB -0.509 62.661 63.200 -0.049 0.000 0.876 616 S HN 0.673 nan 8.310 nan 0.000 0.448 617 A N 1.314 124.129 122.820 -0.009 0.000 1.902 617 A HA 0.119 4.439 4.320 -0.001 0.000 0.217 617 A C 2.325 179.978 177.584 0.114 0.000 1.181 617 A CA 1.695 53.780 52.037 0.081 0.000 0.623 617 A CB -0.996 18.187 19.000 0.306 0.000 0.818 617 A HN 0.526 nan 8.150 nan 0.000 0.443 618 A N -0.295 122.621 122.820 0.160 0.000 1.969 618 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 618 A C 1.867 179.624 177.584 0.288 0.000 1.169 618 A CA 1.477 53.700 52.037 0.310 0.000 0.635 618 A CB -0.459 18.732 19.000 0.317 0.000 0.810 618 A HN 0.640 nan 8.150 nan 0.000 0.445 619 E N -0.239 120.078 120.200 0.194 0.000 2.153 619 E HA -0.165 4.185 4.350 -0.001 0.000 0.194 619 E C 1.749 178.358 176.600 0.015 0.000 0.988 619 E CA 0.985 57.447 56.400 0.103 0.000 0.811 619 E CB -0.028 29.635 29.700 -0.062 0.000 0.746 619 E HN 0.396 nan 8.360 nan 0.000 0.466 620 K N 0.391 120.737 120.400 -0.089 0.000 2.076 620 K HA -0.014 4.306 4.320 -0.001 0.000 0.204 620 K C 2.228 178.833 176.600 0.009 0.000 1.051 620 K CA 0.553 56.754 56.287 -0.144 0.000 0.949 620 K CB -0.132 32.063 32.500 -0.509 0.000 0.726 620 K HN 0.159 nan 8.250 nan 0.000 0.443 621 L N 0.546 121.815 121.223 0.077 0.000 2.095 621 L HA -0.047 4.292 4.340 -0.001 0.000 0.204 621 L C 2.396 179.335 176.870 0.116 0.000 1.080 621 L CA 0.713 55.626 54.840 0.122 0.000 0.759 621 L CB -0.330 41.820 42.059 0.152 0.000 0.914 621 L HN 0.021 nan 8.230 nan 0.000 0.439 622 I N 0.034 120.680 120.570 0.127 0.000 2.163 622 I HA -0.215 3.955 4.170 -0.001 0.000 0.243 622 I C -0.462 175.712 176.117 0.096 0.000 1.085 622 I CA 1.471 62.836 61.300 0.109 0.000 1.347 622 I CB -1.252 36.823 38.000 0.125 0.000 1.044 622 I HN 0.210 nan 8.210 nan 0.000 0.408 623 P HA -0.093 nan 4.420 nan 0.000 0.226 623 P C 0.816 178.147 177.300 0.052 0.000 1.153 623 P CA 1.126 64.257 63.100 0.051 0.000 0.777 623 P CB 0.009 31.727 31.700 0.030 0.000 0.794 624 A N -1.187 121.693 122.820 0.101 0.000 2.307 624 A HA 0.504 4.823 4.320 -0.001 0.000 0.218 624 A C 1.031 178.733 177.584 0.196 0.000 1.228 624 A CA 0.016 52.143 52.037 0.149 0.000 0.857 624 A CB -0.689 18.473 19.000 0.270 0.000 0.897 624 A HN 0.192 nan 8.150 nan 0.000 0.495 625 A N -0.423 122.486 122.820 0.149 0.000 2.301 625 A HA 0.562 4.882 4.320 -0.001 0.000 0.312 625 A C 0.192 177.880 177.584 0.174 0.000 1.182 625 A CA -0.418 51.715 52.037 0.160 0.000 0.826 625 A CB 0.578 19.640 19.000 0.103 0.000 1.134 625 A HN 0.202 nan 8.150 nan 0.000 0.501 626 D N 0.574 121.086 120.400 0.186 0.000 2.431 626 D HA 0.143 4.783 4.640 -0.001 0.000 0.235 626 D C 0.105 176.623 176.300 0.363 0.000 0.980 626 D CA 1.049 55.236 54.000 0.312 0.000 0.912 626 D CB 0.329 41.187 40.800 0.096 0.000 1.056 626 D HN 0.369 nan 8.370 nan 0.000 0.494 627 I N 1.055 121.720 120.570 0.159 0.000 2.406 627 I HA 0.132 4.301 4.170 -0.001 0.000 0.290 627 I C -0.012 176.133 176.117 0.047 0.000 0.999 627 I CA -0.452 60.912 61.300 0.108 0.000 1.124 627 I CB 1.748 39.745 38.000 -0.004 0.000 1.289 627 I HN -0.238 nan 8.210 nan 0.000 0.441 628 S N 6.469 122.204 115.700 0.058 0.000 2.409 628 S HA 0.198 4.668 4.470 -0.001 0.000 0.308 628 S C 0.065 174.685 174.600 0.033 0.000 1.080 628 S CA -0.569 57.646 58.200 0.026 0.000 1.081 628 S CB -0.060 63.156 63.200 0.027 0.000 1.009 628 S HN 0.364 nan 8.310 nan 0.000 0.502 629 E N 4.045 124.248 120.200 0.006 0.000 2.220 629 E HA 0.093 4.443 4.350 -0.001 0.000 0.272 629 E C -0.273 176.342 176.600 0.025 0.000 1.099 629 E CA -0.051 56.371 56.400 0.037 0.000 0.907 629 E CB 0.550 30.250 29.700 0.001 0.000 1.022 629 E HN 0.607 nan 8.360 nan 0.000 0.428 630 Q N 2.738 122.579 119.800 0.069 0.000 2.943 630 Q HA 0.239 4.579 4.340 -0.001 0.000 0.327 630 Q C 0.698 176.732 176.000 0.057 0.000 0.937 630 Q CA -0.108 55.718 55.803 0.039 0.000 0.914 630 Q CB 0.048 28.800 28.738 0.022 0.000 1.339 630 Q HN 0.601 nan 8.270 nan 0.000 0.417 631 I N -2.066 118.531 120.570 0.045 0.000 3.762 631 I HA 0.284 4.454 4.170 -0.001 0.000 0.333 631 I C 0.546 176.662 176.117 -0.001 0.000 1.566 631 I CA -0.627 60.701 61.300 0.048 0.000 1.129 631 I CB 0.530 38.542 38.000 0.019 0.000 1.218 631 I HN -0.002 nan 8.210 nan 0.000 0.456 632 S N 0.710 116.420 115.700 0.017 0.000 2.572 632 S HA 0.171 4.640 4.470 -0.001 0.000 0.279 632 S C 0.594 175.218 174.600 0.040 0.000 1.341 632 S CA -0.170 58.075 58.200 0.075 0.000 1.043 632 S CB 0.317 63.617 63.200 0.167 0.000 0.887 632 S HN 0.384 nan 8.310 nan 0.000 0.516 633 T N 3.239 117.848 114.554 0.092 0.000 2.849 633 T HA 0.287 4.636 4.350 -0.001 0.000 0.289 633 T C 0.765 175.467 174.700 0.003 0.000 1.010 633 T CA 0.527 62.664 62.100 0.062 0.000 1.161 633 T CB -0.408 68.579 68.868 0.197 0.000 0.989 633 T HN 1.064 nan 8.240 nan 0.000 0.523 634 A N 2.986 125.779 122.820 -0.045 0.000 2.546 634 A HA 0.479 4.799 4.320 -0.001 0.000 0.243 634 A C 1.671 179.228 177.584 -0.045 0.000 1.063 634 A CA 0.244 52.247 52.037 -0.058 0.000 0.757 634 A CB -0.698 18.261 19.000 -0.069 0.000 0.991 634 A HN 1.704 nan 8.150 nan 0.000 0.503 635 G N 1.674 110.443 108.800 -0.051 0.000 2.234 635 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.235 635 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.235 635 G C 0.797 175.639 174.900 -0.097 0.000 0.997 635 G CA 0.473 45.538 45.100 -0.058 0.000 0.623 635 G HN 0.646 nan 8.290 nan 0.000 0.514 636 K N 0.438 120.758 120.400 -0.134 0.000 2.358 636 K HA 0.337 4.657 4.320 -0.001 0.000 0.197 636 K C 0.246 176.691 176.600 -0.258 0.000 1.025 636 K CA 0.246 56.347 56.287 -0.310 0.000 1.104 636 K CB 1.011 33.193 32.500 -0.530 0.000 0.855 636 K HN 0.457 nan 8.250 nan 0.000 0.531 637 E N -0.393 119.745 120.200 -0.102 0.000 2.265 637 E HA 0.385 4.734 4.350 -0.001 0.000 0.262 637 E C -0.102 176.470 176.600 -0.046 0.000 0.889 637 E CA -0.191 56.184 56.400 -0.041 0.000 0.789 637 E CB 1.503 31.206 29.700 0.005 0.000 1.221 637 E HN 0.012 nan 8.360 nan 0.000 0.414 638 A N 2.862 125.636 122.820 -0.076 0.000 1.930 638 A HA 0.085 4.405 4.320 -0.001 0.000 0.215 638 A C 1.411 178.940 177.584 -0.092 0.000 1.176 638 A CA 1.598 53.553 52.037 -0.137 0.000 0.632 638 A CB 0.050 18.826 19.000 -0.375 0.000 0.819 638 A HN 0.525 nan 8.150 nan 0.000 0.445 639 S N -3.191 112.469 115.700 -0.068 0.000 4.135 639 S HA 0.544 5.014 4.470 -0.001 0.000 0.190 639 S C -0.058 174.507 174.600 -0.058 0.000 1.236 639 S CA 1.102 59.273 58.200 -0.048 0.000 1.194 639 S CB 0.500 63.682 63.200 -0.031 0.000 1.975 639 S HN 2.074 nan 8.310 nan 0.000 0.727 640 G N 0.099 108.860 108.800 -0.066 0.000 2.634 640 G HA2 0.336 4.296 3.960 -0.001 0.000 0.568 640 G HA3 0.336 4.296 3.960 -0.001 0.000 0.568 640 G C -0.019 174.805 174.900 -0.126 0.000 1.495 640 G CA 0.668 45.712 45.100 -0.093 0.000 0.903 640 G HN 1.377 nan 8.290 nan 0.000 0.646 641 T N -1.388 113.083 114.554 -0.138 0.000 2.980 641 T HA 0.326 4.676 4.350 -0.001 0.000 0.252 641 T C 2.392 176.948 174.700 -0.240 0.000 0.962 641 T CA 1.317 63.309 62.100 -0.179 0.000 0.932 641 T CB 0.379 69.157 68.868 -0.150 0.000 1.188 641 T HN 1.699 nan 8.240 nan 0.000 0.500 642 G N 3.099 111.776 108.800 -0.205 0.000 2.505 642 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.220 642 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.220 642 G C 1.379 176.164 174.900 -0.192 0.000 1.145 642 G CA 1.544 46.520 45.100 -0.208 0.000 0.761 642 G HN 0.715 nan 8.290 nan 0.000 0.571 643 N N 0.661 119.255 118.700 -0.176 0.000 2.142 643 N HA -0.068 4.672 4.740 -0.001 0.000 0.186 643 N C 2.154 177.547 175.510 -0.196 0.000 1.023 643 N CA 1.570 54.524 53.050 -0.160 0.000 0.852 643 N CB -0.438 37.949 38.487 -0.166 0.000 0.998 643 N HN 0.382 nan 8.380 nan 0.000 0.424 644 M N 0.726 120.151 119.600 -0.290 0.000 2.065 644 M HA -0.095 4.384 4.480 -0.001 0.000 0.259 644 M C 1.916 178.135 176.300 -0.135 0.000 1.069 644 M CA 1.615 56.732 55.300 -0.306 0.000 1.110 644 M CB -0.405 31.971 32.600 -0.372 0.000 1.328 644 M HN 0.073 nan 8.290 nan 0.000 0.405 645 K N 0.651 120.941 120.400 -0.184 0.000 2.074 645 K HA -0.141 4.178 4.320 -0.001 0.000 0.209 645 K C 1.883 178.451 176.600 -0.052 0.000 1.048 645 K CA 1.323 57.518 56.287 -0.153 0.000 0.926 645 K CB -0.395 31.868 32.500 -0.395 0.000 0.713 645 K HN 0.276 nan 8.250 nan 0.000 0.444 646 L N 0.142 121.323 121.223 -0.069 0.000 2.179 646 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 646 L C 2.445 179.325 176.870 0.018 0.000 1.096 646 L CA 0.706 55.538 54.840 -0.012 0.000 0.779 646 L CB -0.364 41.682 42.059 -0.021 0.000 0.922 646 L HN 0.196 nan 8.230 nan 0.000 0.443 647 A N 0.390 123.210 122.820 -0.000 0.000 1.835 647 A HA -0.203 4.116 4.320 -0.001 0.000 0.215 647 A C 2.181 179.806 177.584 0.068 0.000 1.199 647 A CA 1.540 53.596 52.037 0.031 0.000 0.615 647 A CB -0.978 18.036 19.000 0.023 0.000 0.838 647 A HN 0.295 nan 8.150 nan 0.000 0.444 648 L N 0.000 121.271 121.223 0.080 0.000 2.123 648 L HA -0.269 4.070 4.340 -0.001 0.000 0.217 648 L C 1.551 178.471 176.870 0.083 0.000 1.081 648 L CA 1.512 56.409 54.840 0.096 0.000 0.772 648 L CB -0.531 41.594 42.059 0.110 0.000 0.890 648 L HN 0.457 nan 8.230 nan 0.000 0.437 649 N N -0.296 118.447 118.700 0.072 0.000 2.268 649 N HA 0.077 4.817 4.740 -0.001 0.000 0.204 649 N C 1.017 176.560 175.510 0.054 0.000 1.124 649 N CA 0.912 53.989 53.050 0.045 0.000 0.838 649 N CB 0.903 39.422 38.487 0.053 0.000 0.994 649 N HN 0.428 nan 8.380 nan 0.000 0.489 650 G N 0.412 109.289 108.800 0.128 0.000 2.142 650 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.225 650 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.225 650 G C -0.006 175.008 174.900 0.189 0.000 1.015 650 G CA 0.093 45.326 45.100 0.221 0.000 0.716 650 G HN 0.512 nan 8.290 nan 0.000 0.508 651 A N -0.305 122.595 122.820 0.133 0.000 2.306 651 A HA 0.894 5.213 4.320 -0.001 0.000 0.330 651 A C 0.263 177.893 177.584 0.078 0.000 1.146 651 A CA -0.588 51.538 52.037 0.148 0.000 0.827 651 A CB 0.908 19.983 19.000 0.124 0.000 1.178 651 A HN 0.844 nan 8.150 nan 0.000 0.490 652 L N 1.179 122.448 121.223 0.076 0.000 2.309 652 L HA 0.414 4.753 4.340 -0.001 0.000 0.282 652 L C 0.076 177.024 176.870 0.130 0.000 1.036 652 L CA -0.571 54.289 54.840 0.032 0.000 0.806 652 L CB 1.738 43.739 42.059 -0.096 0.000 1.220 652 L HN 0.661 nan 8.230 nan 0.000 0.429 653 T N 2.193 116.826 114.554 0.131 0.000 2.794 653 T HA 0.279 4.628 4.350 -0.001 0.000 0.296 653 T C 0.049 174.900 174.700 0.252 0.000 0.949 653 T CA -0.320 61.867 62.100 0.145 0.000 1.101 653 T CB 1.257 70.180 68.868 0.091 0.000 0.905 653 T HN 0.214 nan 8.240 nan 0.000 0.516 654 V N 3.606 123.643 119.914 0.205 0.000 2.333 654 V HA 0.750 4.869 4.120 -0.001 0.000 0.274 654 V C 0.643 176.954 176.094 0.363 0.000 1.028 654 V CA -0.286 62.175 62.300 0.269 0.000 0.851 654 V CB 0.950 32.836 31.823 0.106 0.000 1.000 654 V HN 1.090 nan 8.190 nan 0.000 0.456 655 G N 2.628 111.697 108.800 0.448 0.000 2.720 655 G HA2 0.594 4.553 3.960 -0.001 0.000 0.295 655 G HA3 0.594 4.553 3.960 -0.001 0.000 0.295 655 G C -0.479 174.404 174.900 -0.028 0.000 1.437 655 G CA -0.285 44.968 45.100 0.255 0.000 0.886 655 G HN 0.657 nan 8.290 nan 0.000 0.509 656 T N -0.498 113.894 114.554 -0.269 0.000 2.860 656 T HA 0.395 4.745 4.350 -0.001 0.000 0.299 656 T C 0.589 175.191 174.700 -0.164 0.000 1.045 656 T CA -0.669 61.201 62.100 -0.384 0.000 1.071 656 T CB 1.309 69.955 68.868 -0.371 0.000 0.985 656 T HN 0.491 nan 8.240 nan 0.000 0.537 657 L N 2.643 123.780 121.223 -0.143 0.000 2.384 657 L HA 0.389 4.728 4.340 -0.001 0.000 0.258 657 L C -0.587 176.248 176.870 -0.057 0.000 1.266 657 L CA 0.650 55.446 54.840 -0.074 0.000 1.162 657 L CB -1.446 40.578 42.059 -0.059 0.000 1.375 657 L HN 0.869 nan 8.230 nan 0.000 0.420 658 D N 1.142 121.513 120.400 -0.049 0.000 2.648 658 D HA 0.576 5.215 4.640 -0.001 0.000 0.244 658 D C 0.317 176.601 176.300 -0.027 0.000 1.244 658 D CA 0.868 54.846 54.000 -0.036 0.000 0.772 658 D CB 1.797 42.568 40.800 -0.047 0.000 1.379 658 D HN 0.541 nan 8.370 nan 0.000 0.428 659 G N 0.882 109.672 108.800 -0.016 0.000 2.566 659 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.280 659 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.280 659 G C 1.152 176.041 174.900 -0.019 0.000 1.225 659 G CA 1.002 46.091 45.100 -0.019 0.000 0.966 659 G HN 1.285 nan 8.290 nan 0.000 0.560 660 A N -0.523 122.266 122.820 -0.052 0.000 2.019 660 A HA -0.018 4.302 4.320 -0.001 0.000 0.219 660 A C 2.121 179.659 177.584 -0.076 0.000 1.164 660 A CA 2.260 54.241 52.037 -0.093 0.000 0.644 660 A CB -0.523 18.350 19.000 -0.212 0.000 0.805 660 A HN 0.712 nan 8.150 nan 0.000 0.449 661 N N 0.217 118.884 118.700 -0.055 0.000 2.348 661 N HA -0.141 4.598 4.740 -0.001 0.000 0.185 661 N C 1.705 177.217 175.510 0.003 0.000 1.019 661 N CA 1.476 54.508 53.050 -0.029 0.000 0.880 661 N CB -0.550 37.926 38.487 -0.018 0.000 0.965 661 N HN 0.526 nan 8.380 nan 0.000 0.437 662 V N -0.046 119.875 119.914 0.012 0.000 2.407 662 V HA -0.068 4.051 4.120 -0.001 0.000 0.245 662 V C 2.029 178.162 176.094 0.065 0.000 1.041 662 V CA 1.597 63.914 62.300 0.029 0.000 1.040 662 V CB -0.256 31.579 31.823 0.019 0.000 0.671 662 V HN 0.053 nan 8.190 nan 0.000 0.455 663 E N 0.017 120.283 120.200 0.110 0.000 2.107 663 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 663 E C 2.007 178.770 176.600 0.271 0.000 0.982 663 E CA 1.707 58.232 56.400 0.207 0.000 0.809 663 E CB -0.277 29.621 29.700 0.329 0.000 0.756 663 E HN 0.751 nan 8.360 nan 0.000 0.459 664 I N 0.479 121.184 120.570 0.225 0.000 2.179 664 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 664 I C 2.389 178.573 176.117 0.111 0.000 1.088 664 I CA 1.117 62.535 61.300 0.196 0.000 1.357 664 I CB -0.288 37.729 38.000 0.029 0.000 1.051 664 I HN 0.178 nan 8.210 nan 0.000 0.409 665 A N 0.059 122.916 122.820 0.062 0.000 1.908 665 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 665 A C 2.342 179.940 177.584 0.023 0.000 1.181 665 A CA 2.070 54.123 52.037 0.028 0.000 0.627 665 A CB -0.709 18.300 19.000 0.016 0.000 0.818 665 A HN 0.526 nan 8.150 nan 0.000 0.445 666 E N -0.551 119.671 120.200 0.037 0.000 2.106 666 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 666 E C 1.705 178.315 176.600 0.017 0.000 0.984 666 E CA 1.152 57.565 56.400 0.022 0.000 0.806 666 E CB -0.018 29.698 29.700 0.026 0.000 0.750 666 E HN 0.356 nan 8.360 nan 0.000 0.458 667 K N 0.334 120.758 120.400 0.040 0.000 2.076 667 K HA -0.064 4.255 4.320 -0.001 0.000 0.204 667 K C 2.268 178.874 176.600 0.009 0.000 1.051 667 K CA 1.204 57.501 56.287 0.017 0.000 0.949 667 K CB -0.378 32.136 32.500 0.024 0.000 0.726 667 K HN 0.272 nan 8.250 nan 0.000 0.443 668 V N -1.431 118.497 119.914 0.023 0.000 3.041 668 V HA 0.195 4.315 4.120 -0.001 0.000 0.260 668 V C 0.746 176.816 176.094 -0.039 0.000 1.105 668 V CA 0.715 63.010 62.300 -0.007 0.000 1.125 668 V CB -1.195 30.625 31.823 -0.005 0.000 0.730 668 V HN 0.358 nan 8.190 nan 0.000 0.479 669 G N 1.495 110.274 108.800 -0.035 0.000 2.778 669 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.686 669 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.686 669 G C 0.056 174.913 174.900 -0.072 0.000 1.309 669 G CA 0.130 45.200 45.100 -0.050 0.000 0.904 669 G HN 0.798 nan 8.290 nan 0.000 0.593 670 E N 0.673 120.831 120.200 -0.069 0.000 2.268 670 E HA -0.101 4.248 4.350 -0.001 0.000 0.195 670 E C 2.035 178.551 176.600 -0.140 0.000 0.995 670 E CA 1.202 57.550 56.400 -0.086 0.000 0.836 670 E CB -0.023 29.642 29.700 -0.059 0.000 0.763 670 E HN 0.762 nan 8.360 nan 0.000 0.491 671 E N 1.640 121.758 120.200 -0.136 0.000 2.338 671 E HA -0.162 4.187 4.350 -0.001 0.000 0.197 671 E C 0.717 177.165 176.600 -0.254 0.000 1.007 671 E CA 0.758 57.053 56.400 -0.176 0.000 0.849 671 E CB -0.244 29.382 29.700 -0.123 0.000 0.774 671 E HN 0.298 nan 8.360 nan 0.000 0.506 672 N N 0.378 118.943 118.700 -0.224 0.000 2.234 672 N HA 0.284 5.023 4.740 -0.001 0.000 0.227 672 N C -0.138 175.227 175.510 -0.241 0.000 1.151 672 N CA -0.032 52.875 53.050 -0.239 0.000 0.865 672 N CB 1.418 39.809 38.487 -0.161 0.000 1.066 672 N HN 0.246 nan 8.380 nan 0.000 0.515 673 I N -1.136 119.263 120.570 -0.286 0.000 3.093 673 I HA 0.384 4.553 4.170 -0.001 0.000 0.308 673 I C -1.424 174.530 176.117 -0.272 0.000 1.303 673 I CA -0.829 60.373 61.300 -0.164 0.000 0.975 673 I CB 1.827 39.800 38.000 -0.045 0.000 1.286 673 I HN -0.277 nan 8.210 nan 0.000 0.459 674 F N 6.543 126.509 119.950 0.027 0.000 2.438 674 F HA 0.411 4.937 4.527 -0.001 0.000 0.315 674 F C -0.042 175.844 175.800 0.145 0.000 1.258 674 F CA -0.587 57.455 58.000 0.069 0.000 1.180 674 F CB 0.179 39.216 39.000 0.061 0.000 1.412 674 F HN 0.040 nan 8.300 nan 0.000 0.544 675 I N 2.688 123.382 120.570 0.207 0.000 2.710 675 I HA 0.012 4.182 4.170 -0.001 0.000 0.286 675 I C 0.084 176.364 176.117 0.273 0.000 1.181 675 I CA 0.156 61.564 61.300 0.181 0.000 1.430 675 I CB -0.639 37.398 38.000 0.063 0.000 1.367 675 I HN 0.335 nan 8.210 nan 0.000 0.577 676 F N 2.851 122.839 119.950 0.063 0.000 2.711 676 F HA 0.819 5.347 4.527 0.001 0.000 0.313 676 F C 0.077 175.882 175.800 0.008 0.000 1.141 676 F CA -0.327 57.700 58.000 0.045 0.000 0.941 676 F CB 1.080 40.131 39.000 0.085 0.000 1.349 676 F HN 0.851 nan 8.300 nan 0.000 0.464 677 G N 0.823 109.579 108.800 -0.073 0.000 2.782 677 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.228 677 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.228 677 G C -1.078 173.658 174.900 -0.274 0.000 1.372 677 G CA -0.445 44.518 45.100 -0.228 0.000 0.862 677 G HN 1.216 nan 8.290 nan 0.000 0.547 678 H N 0.720 119.739 119.070 -0.084 0.000 2.815 678 H HA 0.359 4.914 4.556 -0.001 0.000 0.350 678 H C 1.459 176.724 175.328 -0.104 0.000 1.080 678 H CA 0.871 56.877 56.048 -0.070 0.000 1.433 678 H CB 0.424 30.139 29.762 -0.078 0.000 1.432 678 H HN 0.908 nan 8.280 nan 0.000 0.592 679 T N -1.655 112.923 114.554 0.039 0.000 2.754 679 T HA 0.089 4.438 4.350 -0.001 0.000 0.286 679 T C 1.821 176.517 174.700 -0.007 0.000 0.997 679 T CA -0.763 61.333 62.100 -0.006 0.000 0.982 679 T CB 0.497 69.367 68.868 0.003 0.000 1.027 679 T HN 0.280 nan 8.240 nan 0.000 0.529 680 V N 1.416 121.315 119.914 -0.024 0.000 2.324 680 V HA -0.172 3.948 4.120 -0.001 0.000 0.250 680 V C 2.715 178.791 176.094 -0.030 0.000 1.060 680 V CA 2.298 64.580 62.300 -0.031 0.000 1.042 680 V CB -1.127 30.678 31.823 -0.031 0.000 0.650 680 V HN 0.883 nan 8.190 nan 0.000 0.450 681 E N -0.401 119.789 120.200 -0.017 0.000 2.112 681 E HA -0.159 4.190 4.350 -0.001 0.000 0.190 681 E C 2.257 178.848 176.600 -0.014 0.000 0.979 681 E CA 0.748 57.139 56.400 -0.016 0.000 0.814 681 E CB -0.247 29.448 29.700 -0.008 0.000 0.762 681 E HN 0.630 nan 8.360 nan 0.000 0.460 682 Q N 0.065 119.869 119.800 0.008 0.000 2.167 682 Q HA -0.097 4.243 4.340 -0.001 0.000 0.202 682 Q C 2.108 178.057 176.000 -0.084 0.000 0.970 682 Q CA 1.015 56.826 55.803 0.013 0.000 0.855 682 Q CB 0.067 28.883 28.738 0.130 0.000 0.911 682 Q HN 0.131 nan 8.270 nan 0.000 0.438 683 V N 0.945 120.802 119.914 -0.095 0.000 2.307 683 V HA -0.278 3.842 4.120 -0.001 0.000 0.245 683 V C 1.939 177.933 176.094 -0.166 0.000 1.045 683 V CA 1.793 63.983 62.300 -0.183 0.000 1.024 683 V CB -0.395 31.348 31.823 -0.133 0.000 0.651 683 V HN 0.296 nan 8.190 nan 0.000 0.449 684 K N 0.565 120.903 120.400 -0.102 0.000 1.987 684 K HA -0.240 4.080 4.320 -0.001 0.000 0.216 684 K C 2.327 178.882 176.600 -0.074 0.000 1.051 684 K CA 1.880 58.119 56.287 -0.080 0.000 0.942 684 K CB -0.688 31.779 32.500 -0.055 0.000 0.722 684 K HN 0.444 nan 8.250 nan 0.000 0.444 685 A N 1.196 123.982 122.820 -0.057 0.000 1.917 685 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 685 A C 2.192 179.752 177.584 -0.039 0.000 1.182 685 A CA 1.741 53.758 52.037 -0.034 0.000 0.633 685 A CB -0.780 18.212 19.000 -0.013 0.000 0.819 685 A HN 0.276 nan 8.150 nan 0.000 0.448 686 I N -0.710 119.804 120.570 -0.093 0.000 2.394 686 I HA -0.205 3.965 4.170 -0.001 0.000 0.251 686 I C 2.301 178.378 176.117 -0.066 0.000 1.136 686 I CA 0.807 62.048 61.300 -0.097 0.000 1.425 686 I CB -0.150 37.679 38.000 -0.286 0.000 1.079 686 I HN 0.303 nan 8.210 nan 0.000 0.425 687 L N -0.002 121.154 121.223 -0.111 0.000 2.095 687 L HA -0.089 4.250 4.340 -0.001 0.000 0.204 687 L C 2.847 179.711 176.870 -0.009 0.000 1.080 687 L CA 1.046 55.852 54.840 -0.056 0.000 0.759 687 L CB -0.667 41.332 42.059 -0.101 0.000 0.914 687 L HN 0.202 nan 8.230 nan 0.000 0.439 688 A N 0.216 123.024 122.820 -0.021 0.000 1.865 688 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 688 A C 2.346 179.939 177.584 0.014 0.000 1.191 688 A CA 2.053 54.086 52.037 -0.007 0.000 0.623 688 A CB -0.507 18.485 19.000 -0.013 0.000 0.826 688 A HN 0.278 nan 8.150 nan 0.000 0.444 689 K N -1.240 119.175 120.400 0.026 0.000 2.283 689 K HA 0.092 4.411 4.320 -0.001 0.000 0.202 689 K C 0.417 177.055 176.600 0.063 0.000 1.048 689 K CA 0.689 57.003 56.287 0.045 0.000 0.948 689 K CB -0.335 32.200 32.500 0.058 0.000 0.742 689 K HN 0.912 nan 8.250 nan 0.000 0.458 690 G N 0.787 109.635 108.800 0.079 0.000 3.439 690 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.686 690 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.686 690 G C -1.485 173.516 174.900 0.170 0.000 1.075 690 G CA -0.423 44.734 45.100 0.096 0.000 0.926 690 G HN 0.245 nan 8.290 nan 0.000 0.485 691 Y N 2.892 123.206 120.300 0.022 0.000 2.331 691 Y HA 0.660 5.210 4.550 -0.000 0.000 0.338 691 Y C -0.530 175.406 175.900 0.060 0.000 0.976 691 Y CA -1.840 56.285 58.100 0.042 0.000 1.137 691 Y CB 2.214 40.651 38.460 -0.038 0.000 1.172 691 Y HN 0.443 nan 8.280 nan 0.000 0.478 692 D N 9.221 129.509 120.400 -0.187 0.000 2.479 692 D HA 0.319 4.959 4.640 -0.001 0.000 0.247 692 D C -1.992 174.125 176.300 -0.304 0.000 1.119 692 D CA -2.593 51.260 54.000 -0.244 0.000 0.922 692 D CB 1.478 42.262 40.800 -0.026 0.000 1.014 692 D HN 0.367 nan 8.370 nan 0.000 0.510 693 P HA -0.140 nan 4.420 nan 0.000 0.220 693 P C 1.449 178.713 177.300 -0.059 0.000 1.148 693 P CA 0.476 63.301 63.100 -0.458 0.000 0.803 693 P CB 0.560 32.003 31.700 -0.428 0.000 0.782 694 V N 0.818 120.698 119.914 -0.057 0.000 2.453 694 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 694 V C 2.779 178.909 176.094 0.060 0.000 1.048 694 V CA 1.505 63.809 62.300 0.006 0.000 1.049 694 V CB -1.179 30.635 31.823 -0.014 0.000 0.672 694 V HN 0.116 nan 8.190 nan 0.000 0.457 695 K N -0.784 119.664 120.400 0.081 0.000 2.034 695 K HA -0.267 4.052 4.320 -0.001 0.000 0.214 695 K C 1.982 178.657 176.600 0.124 0.000 1.051 695 K CA 2.567 58.902 56.287 0.081 0.000 0.931 695 K CB -0.271 32.270 32.500 0.067 0.000 0.715 695 K HN 0.558 nan 8.250 nan 0.000 0.446 696 W N 0.814 122.121 121.300 0.012 0.000 2.418 696 W HA -0.001 4.657 4.660 -0.003 0.000 0.292 696 W C 2.334 178.877 176.519 0.039 0.000 1.213 696 W CA 0.823 58.207 57.345 0.064 0.000 1.283 696 W CB -0.386 29.154 29.460 0.132 0.000 1.119 696 W HN 0.165 nan 8.180 nan 0.000 0.542 697 R N 1.054 121.691 120.500 0.227 0.000 2.127 697 R HA -0.179 4.161 4.340 -0.001 0.000 0.238 697 R C 1.695 178.036 176.300 0.068 0.000 1.134 697 R CA 1.356 57.515 56.100 0.098 0.000 0.975 697 R CB -0.126 30.199 30.300 0.042 0.000 0.865 697 R HN -0.035 nan 8.270 nan 0.000 0.447 698 K N 0.407 120.846 120.400 0.065 0.000 2.305 698 K HA -0.024 4.295 4.320 -0.001 0.000 0.199 698 K C 1.664 178.286 176.600 0.036 0.000 1.047 698 K CA 0.771 57.080 56.287 0.037 0.000 0.976 698 K CB 0.132 32.645 32.500 0.022 0.000 0.765 698 K HN 0.238 nan 8.250 nan 0.000 0.474 699 K N 0.666 121.095 120.400 0.048 0.000 2.366 699 K HA -0.047 4.272 4.320 -0.001 0.000 0.198 699 K C 0.236 176.877 176.600 0.069 0.000 1.044 699 K CA 0.491 56.798 56.287 0.033 0.000 0.973 699 K CB 0.281 32.779 32.500 -0.004 0.000 0.767 699 K HN 0.002 nan 8.250 nan 0.000 0.475 700 D N 0.592 121.051 120.400 0.098 0.000 2.440 700 D HA 0.083 4.722 4.640 -0.001 0.000 0.252 700 D C 0.337 176.694 176.300 0.094 0.000 1.180 700 D CA -0.117 53.961 54.000 0.129 0.000 0.894 700 D CB 0.945 41.873 40.800 0.212 0.000 1.111 700 D HN -0.128 nan 8.370 nan 0.000 0.544 701 K N 1.331 121.780 120.400 0.081 0.000 2.074 701 K HA -0.111 4.209 4.320 -0.001 0.000 0.209 701 K C 1.780 178.417 176.600 0.062 0.000 1.048 701 K CA 1.053 57.375 56.287 0.059 0.000 0.926 701 K CB 0.011 32.542 32.500 0.052 0.000 0.713 701 K HN 0.242 nan 8.250 nan 0.000 0.444 702 V N 1.968 121.946 119.914 0.106 0.000 2.270 702 V HA -0.234 3.886 4.120 -0.001 0.000 0.245 702 V C 2.348 178.481 176.094 0.064 0.000 1.043 702 V CA 1.435 63.813 62.300 0.131 0.000 1.014 702 V CB -0.499 31.460 31.823 0.226 0.000 0.645 702 V HN 0.208 nan 8.190 nan 0.000 0.447 703 L N 0.878 122.092 121.223 -0.015 0.000 1.990 703 L HA -0.245 4.094 4.340 -0.001 0.000 0.213 703 L C 2.165 178.927 176.870 -0.180 0.000 1.072 703 L CA 2.709 57.325 54.840 -0.374 0.000 0.755 703 L CB -1.087 40.712 42.059 -0.432 0.000 0.889 703 L HN 0.452 nan 8.230 nan 0.000 0.432 704 D N -0.798 119.562 120.400 -0.066 0.000 2.123 704 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 704 D C 2.025 178.317 176.300 -0.013 0.000 0.992 704 D CA 1.533 55.517 54.000 -0.027 0.000 0.833 704 D CB -0.075 40.727 40.800 0.003 0.000 0.954 704 D HN 0.492 nan 8.370 nan 0.000 0.455 705 A N -0.147 122.672 122.820 -0.002 0.000 2.014 705 A HA -0.017 4.302 4.320 -0.001 0.000 0.218 705 A C 2.445 180.040 177.584 0.018 0.000 1.163 705 A CA 1.725 53.768 52.037 0.010 0.000 0.652 705 A CB -0.649 18.361 19.000 0.016 0.000 0.808 705 A HN 0.285 nan 8.150 nan 0.000 0.449 706 V N -2.044 117.875 119.914 0.009 0.000 2.407 706 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 706 V C 2.250 178.361 176.094 0.028 0.000 1.041 706 V CA 1.447 63.765 62.300 0.031 0.000 1.040 706 V CB -1.157 30.683 31.823 0.029 0.000 0.671 706 V HN 0.405 nan 8.190 nan 0.000 0.455 707 L N -0.051 121.164 121.223 -0.013 0.000 2.013 707 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 707 L C 2.980 179.881 176.870 0.051 0.000 1.073 707 L CA 2.389 57.236 54.840 0.012 0.000 0.753 707 L CB -0.846 41.207 42.059 -0.010 0.000 0.890 707 L HN 0.307 nan 8.230 nan 0.000 0.432 708 K N 0.031 120.454 120.400 0.038 0.000 2.063 708 K HA -0.218 4.101 4.320 -0.001 0.000 0.208 708 K C 1.978 178.611 176.600 0.055 0.000 1.048 708 K CA 1.637 57.948 56.287 0.040 0.000 0.928 708 K CB -0.203 32.309 32.500 0.020 0.000 0.713 708 K HN 0.451 nan 8.250 nan 0.000 0.442 709 E N 0.798 121.042 120.200 0.074 0.000 2.110 709 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 709 E C 2.083 178.803 176.600 0.200 0.000 0.988 709 E CA 0.904 57.364 56.400 0.101 0.000 0.804 709 E CB -0.107 29.703 29.700 0.183 0.000 0.745 709 E HN 0.248 nan 8.360 nan 0.000 0.458 710 L N 0.658 122.026 121.223 0.240 0.000 2.141 710 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 710 L C 2.102 179.156 176.870 0.308 0.000 1.094 710 L CA 1.093 56.126 54.840 0.322 0.000 0.763 710 L CB -0.186 41.967 42.059 0.157 0.000 0.908 710 L HN 0.100 nan 8.230 nan 0.000 0.437 711 E N -0.702 119.599 120.200 0.169 0.000 2.230 711 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 711 E C 2.124 178.749 176.600 0.043 0.000 0.987 711 E CA 1.046 57.509 56.400 0.105 0.000 0.841 711 E CB 0.128 29.878 29.700 0.084 0.000 0.783 711 E HN 0.371 nan 8.360 nan 0.000 0.481 712 S N -0.740 114.982 115.700 0.038 0.000 2.593 712 S HA 0.131 4.601 4.470 -0.001 0.000 0.217 712 S C 1.583 176.159 174.600 -0.041 0.000 0.966 712 S CA 0.525 58.716 58.200 -0.015 0.000 0.914 712 S CB 0.368 63.553 63.200 -0.026 0.000 0.776 712 S HN 0.331 nan 8.310 nan 0.000 0.523 713 G N 1.833 110.622 108.800 -0.019 0.000 2.159 713 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.256 713 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.256 713 G C 0.710 175.576 174.900 -0.058 0.000 0.977 713 G CA 0.605 45.676 45.100 -0.049 0.000 0.652 713 G HN 0.610 nan 8.290 nan 0.000 0.531 714 K N -0.599 119.735 120.400 -0.110 0.000 2.044 714 K HA -0.108 4.212 4.320 -0.001 0.000 0.210 714 K C 1.802 178.223 176.600 -0.299 0.000 1.049 714 K CA 1.873 57.988 56.287 -0.286 0.000 0.927 714 K CB -0.207 31.976 32.500 -0.527 0.000 0.713 714 K HN 0.486 nan 8.250 nan 0.000 0.443 715 Y N 0.213 120.570 120.300 0.095 0.000 2.490 715 Y HA 0.071 4.621 4.550 -0.001 0.000 0.281 715 Y C 1.190 177.139 175.900 0.082 0.000 1.174 715 Y CA 0.383 58.545 58.100 0.103 0.000 1.295 715 Y CB 0.562 39.094 38.460 0.120 0.000 1.062 715 Y HN 0.113 nan 8.280 nan 0.000 0.522 716 S N -2.020 113.745 115.700 0.107 0.000 2.809 716 S HA 0.231 4.701 4.470 -0.001 0.000 0.248 716 S C -0.465 174.125 174.600 -0.018 0.000 1.071 716 S CA -0.444 57.747 58.200 -0.016 0.000 1.059 716 S CB -0.418 62.642 63.200 -0.233 0.000 0.923 716 S HN 0.303 nan 8.310 nan 0.000 0.516 717 D N 1.218 121.617 120.400 -0.002 0.000 2.772 717 D HA -0.098 4.542 4.640 -0.001 0.000 0.233 717 D C 1.148 177.430 176.300 -0.029 0.000 1.143 717 D CA 1.559 55.554 54.000 -0.009 0.000 0.700 717 D CB -1.630 39.177 40.800 0.011 0.000 1.076 717 D HN 0.972 nan 8.370 nan 0.000 0.430 718 G N -0.486 108.286 108.800 -0.048 0.000 2.199 718 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.254 718 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.254 718 G C -0.031 174.818 174.900 -0.084 0.000 0.982 718 G CA 0.051 45.114 45.100 -0.062 0.000 0.632 718 G HN 0.594 nan 8.290 nan 0.000 0.529 719 D N 0.973 121.320 120.400 -0.089 0.000 2.342 719 D HA 0.343 4.982 4.640 -0.001 0.000 0.260 719 D C 1.468 177.653 176.300 -0.193 0.000 1.278 719 D CA -0.032 53.894 54.000 -0.123 0.000 0.910 719 D CB 0.468 41.219 40.800 -0.081 0.000 1.079 719 D HN 0.419 nan 8.370 nan 0.000 0.496 720 K N 2.265 122.503 120.400 -0.270 0.000 2.432 720 K HA -0.054 4.265 4.320 -0.001 0.000 0.196 720 K C 0.998 177.424 176.600 -0.291 0.000 1.038 720 K CA 0.550 56.666 56.287 -0.286 0.000 0.986 720 K CB 0.310 32.619 32.500 -0.317 0.000 0.782 720 K HN 0.499 nan 8.250 nan 0.000 0.485 721 H N -0.494 118.524 119.070 -0.086 0.000 2.553 721 H HA 0.226 4.782 4.556 -0.001 0.000 0.265 721 H C 1.867 177.097 175.328 -0.164 0.000 0.964 721 H CA 0.495 56.488 56.048 -0.091 0.000 1.156 721 H CB 0.118 29.846 29.762 -0.058 0.000 1.411 721 H HN 0.168 nan 8.280 nan 0.000 0.558 722 A N 1.222 123.917 122.820 -0.208 0.000 1.915 722 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 722 A C 1.146 178.482 177.584 -0.414 0.000 1.198 722 A CA 1.807 53.607 52.037 -0.394 0.000 0.647 722 A CB -0.882 17.591 19.000 -0.877 0.000 0.825 722 A HN 0.246 nan 8.150 nan 0.000 0.456 723 F N -0.266 119.739 119.950 0.092 0.000 2.684 723 F HA 0.235 4.761 4.527 -0.001 0.000 0.298 723 F C 1.017 176.806 175.800 -0.019 0.000 1.120 723 F CA -0.899 57.129 58.000 0.046 0.000 1.332 723 F CB -0.305 38.691 39.000 -0.006 0.000 0.986 723 F HN 0.065 nan 8.300 nan 0.000 0.524 724 D N 0.751 121.149 120.400 -0.003 0.000 2.149 724 D HA -0.229 4.410 4.640 -0.001 0.000 0.194 724 D C 2.016 178.083 176.300 -0.389 0.000 1.001 724 D CA 1.609 55.438 54.000 -0.284 0.000 0.849 724 D CB -0.026 40.595 40.800 -0.298 0.000 0.939 724 D HN 0.405 nan 8.370 nan 0.000 0.449 725 Q N -0.615 119.109 119.800 -0.128 0.000 2.046 725 Q HA -0.089 4.250 4.340 -0.001 0.000 0.200 725 Q C 2.263 178.279 176.000 0.026 0.000 0.975 725 Q CA 0.935 56.709 55.803 -0.048 0.000 0.836 725 Q CB -0.121 28.633 28.738 0.027 0.000 0.896 725 Q HN 0.327 nan 8.270 nan 0.000 0.428 726 M N 0.165 119.803 119.600 0.063 0.000 2.086 726 M HA -0.187 4.293 4.480 -0.001 0.000 0.261 726 M C 1.616 177.993 176.300 0.129 0.000 1.067 726 M CA 1.172 56.523 55.300 0.085 0.000 1.116 726 M CB 0.051 32.691 32.600 0.066 0.000 1.348 726 M HN 0.206 nan 8.290 nan 0.000 0.407 727 L N 0.363 121.657 121.223 0.119 0.000 1.989 727 L HA -0.256 4.084 4.340 -0.001 0.000 0.211 727 L C 2.561 179.570 176.870 0.231 0.000 1.071 727 L CA 1.981 56.916 54.840 0.158 0.000 0.749 727 L CB -2.026 40.135 42.059 0.169 0.000 0.890 727 L HN 0.384 nan 8.230 nan 0.000 0.431 728 H N -0.925 118.202 119.070 0.095 0.000 2.456 728 H HA -0.042 4.513 4.556 -0.001 0.000 0.296 728 H C 2.419 177.793 175.328 0.077 0.000 1.079 728 H CA 1.145 57.237 56.048 0.072 0.000 1.322 728 H CB -0.612 29.187 29.762 0.062 0.000 1.388 728 H HN 0.448 nan 8.280 nan 0.000 0.538 729 S N 0.630 116.459 115.700 0.216 0.000 2.419 729 S HA -0.089 4.380 4.470 -0.001 0.000 0.233 729 S C 1.873 176.577 174.600 0.174 0.000 1.016 729 S CA 1.302 59.614 58.200 0.186 0.000 0.974 729 S CB -0.532 62.781 63.200 0.188 0.000 0.786 729 S HN 0.640 nan 8.310 nan 0.000 0.492 730 I N -1.910 118.758 120.570 0.165 0.000 4.082 730 I HA 0.505 4.674 4.170 -0.001 0.000 0.337 730 I C 1.125 177.278 176.117 0.061 0.000 1.352 730 I CA -0.326 61.044 61.300 0.117 0.000 1.097 730 I CB -0.338 37.726 38.000 0.106 0.000 1.048 730 I HN 0.257 nan 8.210 nan 0.000 0.393 731 G N 1.268 110.114 108.800 0.077 0.000 2.714 731 G HA2 0.178 4.137 3.960 -0.001 0.000 0.197 731 G HA3 0.178 4.137 3.960 -0.001 0.000 0.197 731 G C 0.631 175.528 174.900 -0.005 0.000 1.449 731 G CA -0.195 44.926 45.100 0.036 0.000 1.065 731 G HN -0.098 nan 8.290 nan 0.000 0.575 732 K N -0.588 119.795 120.400 -0.027 0.000 2.228 732 K HA 0.006 4.326 4.320 -0.001 0.000 0.202 732 K C 2.737 179.310 176.600 -0.045 0.000 1.051 732 K CA 0.849 57.106 56.287 -0.049 0.000 0.960 732 K CB -0.128 32.339 32.500 -0.055 0.000 0.743 732 K HN 0.394 nan 8.250 nan 0.000 0.458 733 Q N -0.959 118.808 119.800 -0.055 0.000 2.050 733 Q HA -0.056 4.284 4.340 -0.001 0.000 0.202 733 Q C 2.031 178.042 176.000 0.018 0.000 0.980 733 Q CA 1.846 57.624 55.803 -0.041 0.000 0.840 733 Q CB -0.473 28.208 28.738 -0.094 0.000 0.898 733 Q HN 0.380 nan 8.270 nan 0.000 0.424 734 G N -1.523 107.311 108.800 0.057 0.000 2.492 734 G HA2 0.238 4.197 3.960 -0.001 0.000 0.214 734 G HA3 0.238 4.197 3.960 -0.001 0.000 0.214 734 G C 0.997 175.921 174.900 0.041 0.000 1.147 734 G CA 0.382 45.525 45.100 0.072 0.000 0.809 734 G HN 0.560 nan 8.290 nan 0.000 0.533 735 G N 0.088 108.895 108.800 0.013 0.000 2.179 735 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.260 735 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.260 735 G C 0.319 175.218 174.900 -0.002 0.000 0.977 735 G CA 0.888 45.972 45.100 -0.025 0.000 0.641 735 G HN 1.193 nan 8.290 nan 0.000 0.533 736 D N -0.687 119.748 120.400 0.058 0.000 2.737 736 D HA -0.143 4.496 4.640 -0.001 0.000 0.238 736 D C -0.019 176.369 176.300 0.146 0.000 1.157 736 D CA 1.223 55.302 54.000 0.131 0.000 0.694 736 D CB -0.208 40.674 40.800 0.137 0.000 1.021 736 D HN 0.409 nan 8.370 nan 0.000 0.420 737 P HA -0.159 nan 4.420 nan 0.000 0.225 737 P C 0.677 177.706 177.300 -0.453 0.000 1.148 737 P CA 1.137 64.088 63.100 -0.249 0.000 0.779 737 P CB -0.096 31.346 31.700 -0.430 0.000 0.780 738 Y N -0.969 119.392 120.300 0.102 0.000 2.555 738 Y HA 0.334 4.884 4.550 -0.001 0.000 0.259 738 Y C 1.527 177.424 175.900 -0.005 0.000 1.179 738 Y CA -0.508 57.633 58.100 0.069 0.000 1.230 738 Y CB -0.006 38.562 38.460 0.181 0.000 1.146 738 Y HN -0.286 nan 8.280 nan 0.000 0.526 739 L N -1.218 120.026 121.223 0.035 0.000 4.140 739 L HA -0.326 4.013 4.340 -0.001 0.000 0.406 739 L C 1.066 177.923 176.870 -0.022 0.000 1.175 739 L CA -0.045 54.728 54.840 -0.111 0.000 0.939 739 L CB -2.121 39.779 42.059 -0.264 0.000 2.105 739 L HN 0.126 nan 8.230 nan 0.000 0.803 740 V N -0.599 119.323 119.914 0.014 0.000 2.332 740 V HA -0.347 3.772 4.120 -0.001 0.000 0.248 740 V C 2.480 178.606 176.094 0.053 0.000 1.055 740 V CA 2.572 64.857 62.300 -0.025 0.000 1.038 740 V CB -0.302 31.417 31.823 -0.172 0.000 0.651 740 V HN 0.436 nan 8.190 nan 0.000 0.450 741 M N -0.215 119.412 119.600 0.045 0.000 2.117 741 M HA -0.115 4.364 4.480 -0.001 0.000 0.262 741 M C 2.343 178.688 176.300 0.076 0.000 1.065 741 M CA 2.257 57.594 55.300 0.062 0.000 1.114 741 M CB -1.461 31.168 32.600 0.049 0.000 1.361 741 M HN 0.418 nan 8.290 nan 0.000 0.408 742 A N -0.755 121.976 122.820 -0.150 0.000 2.066 742 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 742 A C 1.672 179.317 177.584 0.102 0.000 1.157 742 A CA 1.467 53.223 52.037 -0.467 0.000 0.670 742 A CB -0.327 18.102 19.000 -0.952 0.000 0.804 742 A HN 0.375 nan 8.150 nan 0.000 0.453 743 D N -2.358 118.159 120.400 0.194 0.000 2.398 743 D HA 0.142 4.781 4.640 -0.001 0.000 0.210 743 D C 1.109 177.632 176.300 0.372 0.000 1.094 743 D CA -0.155 54.015 54.000 0.283 0.000 0.839 743 D CB -0.021 40.918 40.800 0.232 0.000 0.963 743 D HN 0.382 nan 8.370 nan 0.000 0.506 744 F N 2.010 122.080 119.950 0.200 0.000 2.102 744 F HA -0.116 4.410 4.527 -0.002 0.000 0.298 744 F C 2.099 178.018 175.800 0.199 0.000 1.105 744 F CA 1.603 59.729 58.000 0.210 0.000 1.239 744 F CB -0.076 39.027 39.000 0.171 0.000 0.991 744 F HN -0.046 nan 8.300 nan 0.000 0.474 745 A N 0.758 123.746 122.820 0.280 0.000 1.865 745 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 745 A C 2.440 180.022 177.584 -0.003 0.000 1.191 745 A CA 2.180 54.274 52.037 0.096 0.000 0.623 745 A CB -1.705 17.439 19.000 0.240 0.000 0.826 745 A HN 0.548 nan 8.150 nan 0.000 0.444 746 A N -1.874 121.015 122.820 0.114 0.000 1.940 746 A HA -0.137 4.183 4.320 -0.001 0.000 0.219 746 A C 2.166 179.778 177.584 0.047 0.000 1.176 746 A CA 1.901 54.022 52.037 0.139 0.000 0.631 746 A CB -0.694 18.441 19.000 0.226 0.000 0.814 746 A HN 0.792 nan 8.150 nan 0.000 0.446 747 Y N -0.079 120.062 120.300 -0.264 0.000 2.269 747 Y HA -0.010 4.539 4.550 -0.001 0.000 0.294 747 Y C 2.331 177.814 175.900 -0.695 0.000 1.120 747 Y CA 1.228 58.825 58.100 -0.839 0.000 1.159 747 Y CB -0.462 37.571 38.460 -0.712 0.000 1.024 747 Y HN 0.030 nan 8.280 nan 0.000 0.532 748 V N 0.749 120.244 119.914 -0.700 0.000 2.392 748 V HA -0.238 3.881 4.120 -0.001 0.000 0.249 748 V C 2.468 178.306 176.094 -0.426 0.000 1.059 748 V CA 2.193 64.085 62.300 -0.680 0.000 1.051 748 V CB -0.515 30.955 31.823 -0.589 0.000 0.658 748 V HN 0.324 nan 8.190 nan 0.000 0.455 749 E N 0.703 120.732 120.200 -0.285 0.000 2.007 749 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 749 E C 2.335 178.840 176.600 -0.158 0.000 0.999 749 E CA 1.869 58.182 56.400 -0.144 0.000 0.811 749 E CB -0.681 28.988 29.700 -0.052 0.000 0.762 749 E HN 0.487 nan 8.360 nan 0.000 0.450 750 A N 1.169 123.869 122.820 -0.200 0.000 2.024 750 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 750 A C 2.097 179.527 177.584 -0.256 0.000 1.164 750 A CA 1.628 53.596 52.037 -0.114 0.000 0.643 750 A CB -0.414 18.534 19.000 -0.087 0.000 0.806 750 A HN 0.246 nan 8.150 nan 0.000 0.451 751 Q N -0.462 119.063 119.800 -0.459 0.000 2.245 751 Q HA -0.066 4.273 4.340 -0.001 0.000 0.201 751 Q C 1.868 177.730 176.000 -0.230 0.000 0.955 751 Q CA 1.187 56.712 55.803 -0.464 0.000 0.870 751 Q CB -0.149 28.159 28.738 -0.717 0.000 0.945 751 Q HN 0.736 nan 8.270 nan 0.000 0.461 752 K N 0.723 121.030 120.400 -0.156 0.000 2.026 752 K HA -0.160 4.160 4.320 -0.001 0.000 0.208 752 K C 2.158 178.756 176.600 -0.004 0.000 1.048 752 K CA 1.150 57.402 56.287 -0.057 0.000 0.929 752 K CB -0.019 32.458 32.500 -0.038 0.000 0.713 752 K HN 0.205 nan 8.250 nan 0.000 0.439 753 Q N 0.387 120.210 119.800 0.039 0.000 2.112 753 Q HA -0.184 4.155 4.340 -0.001 0.000 0.206 753 Q C 2.159 178.306 176.000 0.244 0.000 0.987 753 Q CA 1.491 57.409 55.803 0.192 0.000 0.858 753 Q CB -0.204 28.744 28.738 0.349 0.000 0.905 753 Q HN 0.118 nan 8.270 nan 0.000 0.420 754 V N 1.271 121.145 119.914 -0.067 0.000 2.287 754 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 754 V C 1.376 177.522 176.094 0.087 0.000 1.053 754 V CA 2.237 64.427 62.300 -0.183 0.000 1.027 754 V CB -0.523 30.994 31.823 -0.510 0.000 0.646 754 V HN 0.359 nan 8.190 nan 0.000 0.447 755 D N -0.444 119.959 120.400 0.005 0.000 2.133 755 D HA -0.163 4.477 4.640 -0.001 0.000 0.195 755 D C 2.049 178.414 176.300 0.108 0.000 0.997 755 D CA 1.442 55.457 54.000 0.024 0.000 0.840 755 D CB -0.233 40.565 40.800 -0.002 0.000 0.947 755 D HN 0.295 nan 8.370 nan 0.000 0.452 756 V N 0.306 120.302 119.914 0.137 0.000 2.261 756 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 756 V C 2.280 178.500 176.094 0.210 0.000 1.047 756 V CA 1.123 63.512 62.300 0.148 0.000 1.015 756 V CB -0.441 31.464 31.823 0.137 0.000 0.642 756 V HN 0.197 nan 8.190 nan 0.000 0.446 757 L N -1.063 120.366 121.223 0.343 0.000 2.141 757 L HA -0.145 4.195 4.340 -0.001 0.000 0.209 757 L C 2.196 179.356 176.870 0.485 0.000 1.094 757 L CA 1.840 56.946 54.840 0.443 0.000 0.763 757 L CB -0.719 41.725 42.059 0.641 0.000 0.908 757 L HN 0.439 nan 8.230 nan 0.000 0.437 758 Y N -0.315 120.120 120.300 0.224 0.000 2.395 758 Y HA -0.089 4.461 4.550 -0.001 0.000 0.293 758 Y C 2.510 178.334 175.900 -0.126 0.000 1.123 758 Y CA 1.110 59.103 58.100 -0.177 0.000 1.227 758 Y CB 0.012 38.137 38.460 -0.558 0.000 1.012 758 Y HN 0.097 nan 8.280 nan 0.000 0.552 759 R N -0.360 120.168 120.500 0.046 0.000 2.148 759 R HA -0.116 4.224 4.340 -0.001 0.000 0.227 759 R C 0.188 176.467 176.300 -0.035 0.000 1.103 759 R CA 1.148 57.243 56.100 -0.008 0.000 0.983 759 R CB -0.241 30.080 30.300 0.034 0.000 0.874 759 R HN 0.159 nan 8.270 nan 0.000 0.451 760 D N 0.813 121.222 120.400 0.015 0.000 2.522 760 D HA 0.005 4.645 4.640 -0.001 0.000 0.218 760 D C 0.804 177.116 176.300 0.020 0.000 1.149 760 D CA -0.016 54.000 54.000 0.027 0.000 0.981 760 D CB 0.778 41.621 40.800 0.071 0.000 1.041 760 D HN -0.098 nan 8.370 nan 0.000 0.518 761 Q N 1.652 121.416 119.800 -0.059 0.000 2.181 761 Q HA -0.186 4.154 4.340 -0.001 0.000 0.205 761 Q C 1.503 177.519 176.000 0.027 0.000 0.980 761 Q CA 1.010 56.761 55.803 -0.087 0.000 0.862 761 Q CB 0.102 28.749 28.738 -0.151 0.000 0.905 761 Q HN 0.716 nan 8.270 nan 0.000 0.429 762 E N -0.326 119.891 120.200 0.028 0.000 2.072 762 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 762 E C 1.806 178.441 176.600 0.059 0.000 0.985 762 E CA 0.954 57.378 56.400 0.041 0.000 0.801 762 E CB 0.008 29.722 29.700 0.023 0.000 0.750 762 E HN 0.262 nan 8.360 nan 0.000 0.452 763 A N 1.876 124.739 122.820 0.071 0.000 1.933 763 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 763 A C 2.033 179.677 177.584 0.100 0.000 1.175 763 A CA 1.215 53.293 52.037 0.069 0.000 0.628 763 A CB -1.234 17.809 19.000 0.072 0.000 0.814 763 A HN 0.724 nan 8.150 nan 0.000 0.444 764 W N 1.167 122.460 121.300 -0.011 0.000 2.352 764 W HA -0.179 4.481 4.660 -0.000 0.000 0.322 764 W C 1.925 178.454 176.519 0.018 0.000 1.208 764 W CA 2.486 59.844 57.345 0.022 0.000 1.286 764 W CB -0.947 28.496 29.460 -0.028 0.000 1.167 764 W HN 0.365 nan 8.180 nan 0.000 0.469 765 T N 1.320 116.034 114.554 0.267 0.000 2.778 765 T HA -0.230 4.119 4.350 -0.001 0.000 0.269 765 T C 1.857 176.518 174.700 -0.065 0.000 1.050 765 T CA 1.860 64.043 62.100 0.137 0.000 1.137 765 T CB -0.353 68.607 68.868 0.153 0.000 0.860 765 T HN 0.193 nan 8.240 nan 0.000 0.468 766 R N 0.682 121.150 120.500 -0.052 0.000 2.081 766 R HA 0.018 4.358 4.340 -0.001 0.000 0.235 766 R C 2.838 179.046 176.300 -0.153 0.000 1.131 766 R CA 1.352 57.394 56.100 -0.097 0.000 0.960 766 R CB -0.429 29.835 30.300 -0.061 0.000 0.856 766 R HN 0.384 nan 8.270 nan 0.000 0.436 767 A N 1.065 123.774 122.820 -0.186 0.000 1.898 767 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 767 A C 2.355 179.797 177.584 -0.236 0.000 1.181 767 A CA 1.483 53.380 52.037 -0.233 0.000 0.620 767 A CB -0.607 18.202 19.000 -0.319 0.000 0.819 767 A HN 0.388 nan 8.150 nan 0.000 0.442 768 A N -0.040 122.613 122.820 -0.278 0.000 1.940 768 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 768 A C 2.100 179.628 177.584 -0.094 0.000 1.176 768 A CA 1.631 53.594 52.037 -0.123 0.000 0.631 768 A CB -0.623 18.414 19.000 0.062 0.000 0.814 768 A HN 0.504 nan 8.150 nan 0.000 0.446 769 I N -0.478 119.899 120.570 -0.322 0.000 2.315 769 I HA -0.227 3.943 4.170 -0.001 0.000 0.248 769 I C 2.262 178.295 176.117 -0.140 0.000 1.117 769 I CA 0.956 62.023 61.300 -0.389 0.000 1.404 769 I CB -0.205 37.546 38.000 -0.415 0.000 1.071 769 I HN 0.291 nan 8.210 nan 0.000 0.419 770 L N 0.121 121.269 121.223 -0.126 0.000 2.141 770 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 770 L C 2.248 179.094 176.870 -0.041 0.000 1.094 770 L CA 1.090 55.881 54.840 -0.082 0.000 0.763 770 L CB -0.728 41.274 42.059 -0.095 0.000 0.908 770 L HN 0.363 nan 8.230 nan 0.000 0.437 771 N N -0.388 118.293 118.700 -0.032 0.000 2.043 771 N HA -0.171 4.569 4.740 -0.001 0.000 0.193 771 N C 1.702 177.247 175.510 0.058 0.000 1.037 771 N CA 2.064 55.124 53.050 0.017 0.000 0.851 771 N CB -0.162 38.333 38.487 0.013 0.000 1.027 771 N HN 0.292 nan 8.380 nan 0.000 0.422 772 T N 1.324 115.927 114.554 0.081 0.000 2.635 772 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 772 T C 1.958 176.689 174.700 0.050 0.000 1.040 772 T CA 1.613 63.772 62.100 0.098 0.000 1.156 772 T CB -0.344 68.633 68.868 0.182 0.000 0.863 772 T HN 0.367 nan 8.240 nan 0.000 0.430 773 A N 0.786 123.619 122.820 0.021 0.000 2.119 773 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 773 A C 2.229 179.809 177.584 -0.006 0.000 1.153 773 A CA 0.958 52.993 52.037 -0.003 0.000 0.692 773 A CB -0.267 18.718 19.000 -0.025 0.000 0.799 773 A HN 0.402 nan 8.150 nan 0.000 0.458 774 R N -2.164 118.337 120.500 0.003 0.000 2.334 774 R HA 0.145 4.484 4.340 -0.001 0.000 0.212 774 R C 0.377 176.675 176.300 -0.004 0.000 0.897 774 R CA 0.219 56.314 56.100 -0.008 0.000 1.056 774 R CB 0.039 30.335 30.300 -0.007 0.000 1.046 774 R HN 0.440 nan 8.270 nan 0.000 0.513 775 C N 0.423 119.753 119.300 0.050 0.000 2.589 775 C HA 0.230 4.690 4.460 -0.001 0.000 0.307 775 C C 1.976 176.983 174.990 0.030 0.000 1.328 775 C CA -0.558 58.532 59.018 0.121 0.000 1.742 775 C CB -0.472 27.463 27.740 0.324 0.000 2.037 775 C HN 0.623 nan 8.230 nan 0.000 0.592 776 G N 1.611 110.387 108.800 -0.040 0.000 2.509 776 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 776 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 776 G C 1.474 176.323 174.900 -0.084 0.000 1.124 776 G CA 0.884 45.971 45.100 -0.021 0.000 0.776 776 G HN 0.710 nan 8.290 nan 0.000 0.547 777 M N -2.054 117.380 119.600 -0.277 0.000 2.595 777 M HA 0.402 4.881 4.480 -0.001 0.000 0.248 777 M C 1.057 177.179 176.300 -0.296 0.000 1.119 777 M CA 0.723 55.833 55.300 -0.317 0.000 1.079 777 M CB -0.105 32.230 32.600 -0.442 0.000 1.472 777 M HN -0.041 nan 8.290 nan 0.000 0.501 778 F N 1.012 120.991 119.950 0.048 0.000 2.811 778 F HA 0.289 4.815 4.527 -0.002 0.000 0.301 778 F C 1.408 177.262 175.800 0.089 0.000 1.151 778 F CA -0.596 57.441 58.000 0.060 0.000 1.412 778 F CB -0.817 38.210 39.000 0.044 0.000 1.113 778 F HN 0.148 nan 8.300 nan 0.000 0.579 779 S N 0.301 116.121 115.700 0.200 0.000 2.552 779 S HA 0.004 4.474 4.470 -0.001 0.000 0.289 779 S C 1.590 176.301 174.600 0.185 0.000 1.304 779 S CA 0.237 58.545 58.200 0.180 0.000 1.063 779 S CB 0.536 63.808 63.200 0.121 0.000 0.848 779 S HN 0.405 nan 8.310 nan 0.000 0.499 780 S N 3.173 119.005 115.700 0.221 0.000 2.481 780 S HA -0.073 4.396 4.470 -0.001 0.000 0.231 780 S C 1.028 175.706 174.600 0.130 0.000 0.996 780 S CA 0.748 59.105 58.200 0.262 0.000 0.942 780 S CB -0.293 63.142 63.200 0.391 0.000 0.768 780 S HN 0.792 nan 8.310 nan 0.000 0.520 781 D N 1.830 122.290 120.400 0.100 0.000 2.144 781 D HA -0.085 4.555 4.640 -0.001 0.000 0.199 781 D C 2.080 178.394 176.300 0.024 0.000 0.984 781 D CA 0.765 54.796 54.000 0.052 0.000 0.834 781 D CB -0.351 40.476 40.800 0.045 0.000 0.955 781 D HN 0.311 nan 8.370 nan 0.000 0.465 782 R N 1.101 121.619 120.500 0.029 0.000 2.075 782 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 782 R C 2.030 178.305 176.300 -0.042 0.000 1.126 782 R CA 0.874 56.970 56.100 -0.006 0.000 0.963 782 R CB -0.374 29.923 30.300 -0.006 0.000 0.858 782 R HN 0.014 nan 8.270 nan 0.000 0.435 783 S N 1.231 116.920 115.700 -0.019 0.000 2.365 783 S HA -0.141 4.328 4.470 -0.001 0.000 0.225 783 S C 1.944 176.446 174.600 -0.164 0.000 1.039 783 S CA 1.336 59.479 58.200 -0.095 0.000 1.033 783 S CB -0.185 62.993 63.200 -0.037 0.000 0.887 783 S HN 0.233 nan 8.310 nan 0.000 0.447 784 I N 1.285 121.774 120.570 -0.135 0.000 2.315 784 I HA -0.038 4.131 4.170 -0.001 0.000 0.248 784 I C 2.374 178.452 176.117 -0.064 0.000 1.117 784 I CA 1.115 62.365 61.300 -0.084 0.000 1.404 784 I CB -1.151 36.852 38.000 0.005 0.000 1.071 784 I HN 0.132 nan 8.210 nan 0.000 0.419 785 R N 1.194 121.661 120.500 -0.055 0.000 2.091 785 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 785 R C 1.842 178.074 176.300 -0.113 0.000 1.136 785 R CA 1.278 57.347 56.100 -0.052 0.000 0.959 785 R CB -0.970 29.307 30.300 -0.038 0.000 0.856 785 R HN 0.373 nan 8.270 nan 0.000 0.437 786 D N -0.618 119.678 120.400 -0.174 0.000 2.084 786 D HA -0.160 4.479 4.640 -0.001 0.000 0.194 786 D C 2.000 178.067 176.300 -0.389 0.000 0.990 786 D CA 1.217 55.061 54.000 -0.260 0.000 0.826 786 D CB -0.477 40.143 40.800 -0.300 0.000 0.971 786 D HN 0.206 nan 8.370 nan 0.000 0.453 787 Y N 1.431 121.404 120.300 -0.545 0.000 2.151 787 Y HA -0.196 4.354 4.550 -0.000 0.000 0.284 787 Y C 2.626 178.040 175.900 -0.810 0.000 1.166 787 Y CA 1.338 58.862 58.100 -0.961 0.000 1.163 787 Y CB -0.367 36.986 38.460 -1.844 0.000 0.974 787 Y HN 0.087 nan 8.280 nan 0.000 0.511 788 Q N -0.916 118.713 119.800 -0.286 0.000 2.079 788 Q HA -0.172 4.167 4.340 -0.001 0.000 0.200 788 Q C 2.570 178.559 176.000 -0.019 0.000 0.974 788 Q CA 1.342 57.149 55.803 0.006 0.000 0.840 788 Q CB -0.336 28.462 28.738 0.100 0.000 0.898 788 Q HN 0.522 nan 8.270 nan 0.000 0.430 789 A N 1.234 124.009 122.820 -0.075 0.000 1.872 789 A HA -0.138 4.182 4.320 -0.001 0.000 0.214 789 A C 1.961 179.498 177.584 -0.077 0.000 1.187 789 A CA 1.131 53.135 52.037 -0.054 0.000 0.614 789 A CB -0.259 18.708 19.000 -0.056 0.000 0.826 789 A HN 0.190 nan 8.150 nan 0.000 0.442 790 R N -1.259 119.140 120.500 -0.169 0.000 2.200 790 R HA 0.277 4.616 4.340 -0.001 0.000 0.208 790 R C 1.111 177.247 176.300 -0.274 0.000 1.033 790 R CA 1.229 57.196 56.100 -0.222 0.000 1.000 790 R CB -0.049 30.050 30.300 -0.335 0.000 0.906 790 R HN 0.571 nan 8.270 nan 0.000 0.462 791 I N -2.703 117.751 120.570 -0.193 0.000 3.557 791 I HA 0.011 4.180 4.170 -0.001 0.000 0.259 791 I C 1.237 177.531 176.117 0.294 0.000 1.108 791 I CA -0.242 61.060 61.300 0.005 0.000 1.536 791 I CB -0.239 37.659 38.000 -0.171 0.000 1.727 791 I HN 0.012 nan 8.210 nan 0.000 0.408 792 W N 2.228 123.620 121.300 0.153 0.000 2.374 792 W HA -0.052 4.608 4.660 -0.000 0.000 0.288 792 W C 1.772 178.329 176.519 0.062 0.000 1.218 792 W CA 0.769 58.193 57.345 0.133 0.000 1.245 792 W CB -0.602 28.916 29.460 0.098 0.000 1.126 792 W HN 0.280 nan 8.180 nan 0.000 0.545 793 Q N -1.283 118.661 119.800 0.241 0.000 2.149 793 Q HA 0.337 4.676 4.340 -0.001 0.000 0.221 793 Q C 0.618 176.653 176.000 0.059 0.000 0.807 793 Q CA 0.014 55.889 55.803 0.121 0.000 1.000 793 Q CB -0.090 28.713 28.738 0.109 0.000 1.157 793 Q HN -0.015 nan 8.270 nan 0.000 0.487 794 A N 1.809 124.665 122.820 0.061 0.000 2.429 794 A HA 0.261 4.581 4.320 -0.001 0.000 0.242 794 A C 0.387 177.970 177.584 -0.002 0.000 1.088 794 A CA -0.148 51.911 52.037 0.037 0.000 0.784 794 A CB 0.256 19.296 19.000 0.068 0.000 1.038 794 A HN 0.143 nan 8.150 nan 0.000 0.501 795 K N 0.923 121.322 120.400 -0.001 0.000 2.174 795 K HA 0.372 4.692 4.320 -0.001 0.000 0.275 795 K C 0.025 176.598 176.600 -0.044 0.000 1.015 795 K CA -0.096 56.173 56.287 -0.029 0.000 0.933 795 K CB 0.698 33.193 32.500 -0.008 0.000 1.025 795 K HN 0.669 nan 8.250 nan 0.000 0.463 796 R N 0.000 120.442 120.500 -0.097 0.000 2.786 796 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 796 R CA 0.000 56.027 56.100 -0.122 0.000 0.921 796 R CB 0.000 30.144 30.300 -0.260 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535