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 1srp_1_A DATA FIRST_RESID 4 DATA SEQUENCE TGYDAVDDLL HYHERGNGIQ INGKDSFSNE QAGLFITREN QTWNGYKVFG DATA SEQUENCE QPVKLTFSFP DYKFSSTNVA GDTGLSKFSA EQQQQAKLSL QSWADVANIT DATA SEQUENCE FTEVAAGQKA NITFGNYSQD RPGHYDYGTQ AYAFLPNTIW QGQDLGGQTW DATA SEQUENCE YNVNQSNVKH PATEDYGRQT FTHEIGHALG LSHPGDYNAG EGNPTYRDVT DATA SEQUENCE YAEDTRQFSL MSYWSETNTG GDNGGHYAAA PLLDDIAAIQ HLYGANLSTR DATA SEQUENCE TGDTVYGFNS NTGRDFLSTT SNSQKVIFAA WDAGGNDTFD FSGYTANQRI DATA SEQUENCE NLNEKSFSDV GGLKGNVSIA AGVTIENAIG GSGNDVIVGN AANNVLKGGA DATA SEQUENCE GNDVLFGGGG ADELWGGAGK DIFVFSAASD SAPGASDWIR DFQKGIDKID DATA SEQUENCE LSFFNKEAQS SDFIHFVDHF SGAAGEALLS YNASNNVTDL SVNIGGHQAP DATA SEQUENCE DFLVKIVGQV DVATDFIV 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.751 174.700 0.086 0.000 1.109 4 T CA 0.000 62.163 62.100 0.104 0.000 1.349 4 T CB 0.000 68.968 68.868 0.167 0.000 0.612 5 G N -0.183 108.685 108.800 0.114 0.000 2.433 5 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.216 5 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.216 5 G C 1.084 176.033 174.900 0.082 0.000 1.186 5 G CA 1.314 46.467 45.100 0.088 0.000 0.779 5 G HN 0.807 nan 8.290 nan 0.000 0.543 6 Y N 2.070 122.400 120.300 0.051 0.000 2.151 6 Y HA -0.178 4.371 4.550 -0.001 0.000 0.284 6 Y C 2.496 178.389 175.900 -0.012 0.000 1.166 6 Y CA 1.969 60.081 58.100 0.021 0.000 1.163 6 Y CB -0.185 38.334 38.460 0.099 0.000 0.974 6 Y HN 0.208 nan 8.280 nan 0.000 0.511 7 D N -0.145 120.224 120.400 -0.051 0.000 2.123 7 D HA -0.201 4.439 4.640 -0.001 0.000 0.196 7 D C 2.306 178.482 176.300 -0.206 0.000 0.992 7 D CA 1.551 55.474 54.000 -0.129 0.000 0.833 7 D CB -0.589 40.203 40.800 -0.013 0.000 0.954 7 D HN 0.475 nan 8.370 nan 0.000 0.455 8 A N 0.748 123.474 122.820 -0.157 0.000 1.933 8 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 8 A C 2.580 180.023 177.584 -0.235 0.000 1.175 8 A CA 1.186 53.128 52.037 -0.159 0.000 0.628 8 A CB -0.692 18.244 19.000 -0.106 0.000 0.814 8 A HN 0.142 nan 8.150 nan 0.000 0.444 9 V N 0.401 120.117 119.914 -0.331 0.000 2.270 9 V HA -0.271 3.848 4.120 -0.001 0.000 0.245 9 V C 2.353 178.139 176.094 -0.513 0.000 1.043 9 V CA 2.492 64.517 62.300 -0.459 0.000 1.014 9 V CB -0.878 30.555 31.823 -0.650 0.000 0.645 9 V HN 0.747 nan 8.190 nan 0.000 0.447 10 D N 0.047 120.048 120.400 -0.665 0.000 2.116 10 D HA -0.240 4.399 4.640 -0.001 0.000 0.193 10 D C 1.721 177.938 176.300 -0.137 0.000 0.998 10 D CA 1.780 55.509 54.000 -0.452 0.000 0.836 10 D CB -0.138 40.344 40.800 -0.529 0.000 0.951 10 D HN 0.425 nan 8.370 nan 0.000 0.449 11 D N -0.581 119.729 120.400 -0.151 0.000 2.097 11 D HA -0.134 4.505 4.640 -0.001 0.000 0.195 11 D C 1.970 178.217 176.300 -0.088 0.000 0.989 11 D CA 0.528 54.482 54.000 -0.076 0.000 0.827 11 D CB -0.433 40.292 40.800 -0.124 0.000 0.966 11 D HN 0.229 nan 8.370 nan 0.000 0.456 12 L N 0.397 121.520 121.223 -0.166 0.000 2.093 12 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 12 L C 2.035 178.873 176.870 -0.052 0.000 1.085 12 L CA 1.243 55.999 54.840 -0.139 0.000 0.755 12 L CB -0.403 41.566 42.059 -0.149 0.000 0.904 12 L HN 0.037 nan 8.230 nan 0.000 0.435 13 L N -1.330 119.781 121.223 -0.186 0.000 2.275 13 L HA -0.178 4.161 4.340 -0.001 0.000 0.215 13 L C 1.152 177.813 176.870 -0.348 0.000 1.119 13 L CA 0.893 55.565 54.840 -0.281 0.000 0.790 13 L CB -0.448 41.340 42.059 -0.451 0.000 0.919 13 L HN 0.412 nan 8.230 nan 0.000 0.443 14 H N -2.943 116.158 119.070 0.051 0.000 2.487 14 H HA 0.101 4.657 4.556 -0.001 0.000 0.290 14 H C -0.522 174.900 175.328 0.157 0.000 1.081 14 H CA -0.507 55.592 56.048 0.086 0.000 1.116 14 H CB 0.179 29.965 29.762 0.039 0.000 1.560 14 H HN 0.031 nan 8.280 nan 0.000 0.548 15 Y N 2.043 122.390 120.300 0.078 0.000 2.402 15 Y HA 0.070 4.619 4.550 -0.001 0.000 0.333 15 Y C 0.291 176.294 175.900 0.172 0.000 1.076 15 Y CA -0.655 57.473 58.100 0.046 0.000 1.299 15 Y CB -0.281 38.229 38.460 0.083 0.000 1.197 15 Y HN 0.418 nan 8.280 nan 0.000 0.517 16 H N 4.077 123.146 119.070 -0.001 0.000 2.748 16 H HA -0.197 4.359 4.556 -0.001 0.000 0.322 16 H C -0.158 175.263 175.328 0.155 0.000 1.208 16 H CA 0.969 57.009 56.048 -0.014 0.000 1.151 16 H CB -0.903 28.759 29.762 -0.168 0.000 1.505 16 H HN 0.756 nan 8.280 nan 0.000 0.429 17 E N 1.325 121.656 120.200 0.220 0.000 2.383 17 E HA 0.366 4.716 4.350 -0.001 0.000 0.264 17 E C 1.172 177.884 176.600 0.187 0.000 1.050 17 E CA -0.285 56.240 56.400 0.209 0.000 0.896 17 E CB 1.384 31.194 29.700 0.183 0.000 0.982 17 E HN 0.531 nan 8.360 nan 0.000 0.424 18 R N 0.282 120.886 120.500 0.172 0.000 2.795 18 R HA 0.659 4.999 4.340 -0.001 0.000 0.268 18 R C 0.311 176.680 176.300 0.116 0.000 1.041 18 R CA -0.354 55.831 56.100 0.142 0.000 0.927 18 R CB 0.789 31.184 30.300 0.159 0.000 1.235 18 R HN 0.680 nan 8.270 nan 0.000 0.463 19 G N 1.131 109.996 108.800 0.107 0.000 2.527 19 G HA2 -0.461 3.499 3.960 -0.001 0.000 0.268 19 G HA3 -0.461 3.499 3.960 -0.001 0.000 0.268 19 G C 0.148 175.091 174.900 0.072 0.000 1.175 19 G CA 1.249 46.400 45.100 0.086 0.000 0.962 19 G HN 1.385 nan 8.290 nan 0.000 0.560 20 N N -1.972 116.759 118.700 0.051 0.000 1.192 20 N HA -0.141 4.599 4.740 -0.001 0.000 0.127 20 N C 0.984 176.519 175.510 0.042 0.000 0.811 20 N CA 2.482 55.559 53.050 0.045 0.000 0.897 20 N CB -1.282 37.239 38.487 0.056 0.000 1.110 20 N HN 2.168 nan 8.380 nan 0.000 0.573 21 G N 0.215 109.040 108.800 0.042 0.000 4.716 21 G HA2 0.552 4.511 3.960 -0.001 0.000 0.282 21 G HA3 0.552 4.511 3.960 -0.001 0.000 0.282 21 G C -0.435 174.489 174.900 0.040 0.000 1.173 21 G CA -0.300 44.823 45.100 0.038 0.000 0.913 21 G HN 0.497 nan 8.290 nan 0.000 0.566 22 I N 0.342 120.942 120.570 0.050 0.000 2.532 22 I HA 0.332 4.502 4.170 -0.001 0.000 0.292 22 I C 0.064 176.207 176.117 0.043 0.000 1.014 22 I CA -0.225 61.103 61.300 0.048 0.000 1.340 22 I CB 1.591 39.628 38.000 0.062 0.000 1.422 22 I HN 0.038 nan 8.210 nan 0.000 0.528 23 Q N 4.897 124.716 119.800 0.030 0.000 2.305 23 Q HA 0.489 4.829 4.340 -0.001 0.000 0.271 23 Q C -0.203 175.808 176.000 0.018 0.000 1.046 23 Q CA -0.442 55.372 55.803 0.017 0.000 0.798 23 Q CB 2.984 31.727 28.738 0.008 0.000 1.286 23 Q HN 0.617 nan 8.270 nan 0.000 0.435 24 I N 0.763 121.342 120.570 0.016 0.000 4.412 24 I HA 0.026 4.195 4.170 -0.001 0.000 0.236 24 I C 0.332 176.467 176.117 0.030 0.000 1.046 24 I CA -0.066 61.250 61.300 0.028 0.000 1.677 24 I CB 0.258 38.285 38.000 0.045 0.000 1.542 24 I HN 0.491 nan 8.210 nan 0.000 0.459 25 N N 1.246 119.977 118.700 0.051 0.000 2.623 25 N HA 0.235 4.974 4.740 -0.001 0.000 0.263 25 N C 0.566 176.080 175.510 0.007 0.000 1.218 25 N CA 0.645 53.735 53.050 0.067 0.000 0.949 25 N CB 0.364 38.983 38.487 0.220 0.000 1.270 25 N HN 0.609 nan 8.380 nan 0.000 0.507 26 G N -0.392 108.404 108.800 -0.006 0.000 2.162 26 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.260 26 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.260 26 G C 0.121 174.994 174.900 -0.046 0.000 0.976 26 G CA 0.148 45.234 45.100 -0.023 0.000 0.655 26 G HN 0.227 nan 8.290 nan 0.000 0.533 27 K N 0.714 121.078 120.400 -0.061 0.000 2.166 27 K HA 0.434 4.753 4.320 -0.001 0.000 0.245 27 K C -0.255 176.303 176.600 -0.070 0.000 0.967 27 K CA -0.848 55.379 56.287 -0.101 0.000 0.863 27 K CB 1.017 33.407 32.500 -0.183 0.000 1.107 27 K HN 0.119 nan 8.250 nan 0.000 0.436 28 D N 0.788 121.141 120.400 -0.079 0.000 2.372 28 D HA -0.013 4.627 4.640 -0.001 0.000 0.243 28 D C 0.003 176.279 176.300 -0.041 0.000 1.121 28 D CA 0.357 54.343 54.000 -0.023 0.000 0.898 28 D CB 1.006 41.829 40.800 0.039 0.000 1.202 28 D HN 0.240 nan 8.370 nan 0.000 0.428 29 S N 1.501 117.235 115.700 0.056 0.000 2.480 29 S HA 0.425 4.894 4.470 -0.001 0.000 0.286 29 S C -0.957 173.801 174.600 0.263 0.000 1.180 29 S CA -0.650 57.605 58.200 0.090 0.000 1.075 29 S CB 0.123 63.372 63.200 0.082 0.000 0.996 29 S HN 0.156 nan 8.310 nan 0.000 0.487 30 F N 2.856 122.785 119.950 -0.035 0.000 2.480 30 F HA 0.469 4.995 4.527 -0.001 0.000 0.329 30 F C 1.074 176.815 175.800 -0.099 0.000 1.091 30 F CA -1.527 56.380 58.000 -0.155 0.000 0.972 30 F CB 1.700 40.425 39.000 -0.460 0.000 1.150 30 F HN 0.711 nan 8.300 nan 0.000 0.467 31 S N 1.316 117.063 115.700 0.078 0.000 2.617 31 S HA 0.070 4.539 4.470 -0.001 0.000 0.259 31 S C 1.149 175.786 174.600 0.061 0.000 1.301 31 S CA -0.230 58.007 58.200 0.062 0.000 0.984 31 S CB 0.573 63.782 63.200 0.014 0.000 0.954 31 S HN 0.639 nan 8.310 nan 0.000 0.572 32 N N 0.771 119.530 118.700 0.098 0.000 2.061 32 N HA -0.222 4.518 4.740 -0.001 0.000 0.193 32 N C 1.681 177.221 175.510 0.051 0.000 1.030 32 N CA 2.177 55.299 53.050 0.120 0.000 0.856 32 N CB -0.450 38.118 38.487 0.134 0.000 1.023 32 N HN 0.820 nan 8.380 nan 0.000 0.424 33 E N -0.212 119.989 120.200 0.003 0.000 2.047 33 E HA -0.210 4.139 4.350 -0.001 0.000 0.191 33 E C 1.901 178.422 176.600 -0.133 0.000 0.987 33 E CA 1.041 57.404 56.400 -0.061 0.000 0.799 33 E CB -0.057 29.599 29.700 -0.073 0.000 0.752 33 E HN 0.544 nan 8.360 nan 0.000 0.449 34 Q N 0.023 119.714 119.800 -0.181 0.000 2.061 34 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 34 Q C 2.195 178.043 176.000 -0.253 0.000 0.984 34 Q CA 1.563 57.153 55.803 -0.354 0.000 0.846 34 Q CB -0.212 28.129 28.738 -0.662 0.000 0.902 34 Q HN 0.300 nan 8.270 nan 0.000 0.421 35 A N 0.981 123.735 122.820 -0.110 0.000 1.902 35 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 35 A C 2.313 179.948 177.584 0.085 0.000 1.181 35 A CA 1.693 53.714 52.037 -0.027 0.000 0.623 35 A CB -1.328 17.720 19.000 0.080 0.000 0.818 35 A HN 0.495 nan 8.150 nan 0.000 0.443 36 G N -0.102 108.720 108.800 0.036 0.000 2.440 36 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.218 36 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.218 36 G C 1.560 176.413 174.900 -0.077 0.000 1.154 36 G CA 1.139 46.247 45.100 0.013 0.000 0.767 36 G HN 0.449 nan 8.290 nan 0.000 0.552 37 L N -1.135 119.978 121.223 -0.183 0.000 2.056 37 L HA 0.060 4.400 4.340 -0.001 0.000 0.207 37 L C 2.574 179.378 176.870 -0.111 0.000 1.078 37 L CA 0.831 55.499 54.840 -0.287 0.000 0.749 37 L CB -0.462 41.396 42.059 -0.334 0.000 0.901 37 L HN 0.180 nan 8.230 nan 0.000 0.433 38 F N 0.696 120.571 119.950 -0.126 0.000 2.134 38 F HA -0.193 4.333 4.527 -0.001 0.000 0.299 38 F C 2.303 178.140 175.800 0.061 0.000 1.097 38 F CA 1.432 59.430 58.000 -0.004 0.000 1.264 38 F CB -0.073 38.975 39.000 0.080 0.000 1.001 38 F HN -0.108 nan 8.300 nan 0.000 0.479 39 I N -0.410 120.259 120.570 0.166 0.000 2.493 39 I HA -0.235 3.934 4.170 -0.001 0.000 0.254 39 I C 1.715 177.833 176.117 0.002 0.000 1.160 39 I CA 1.671 63.047 61.300 0.128 0.000 1.445 39 I CB -0.526 37.592 38.000 0.196 0.000 1.086 39 I HN 0.233 nan 8.210 nan 0.000 0.433 40 T N -2.094 112.436 114.554 -0.040 0.000 3.214 40 T HA 0.116 4.465 4.350 -0.001 0.000 0.264 40 T C 1.577 176.227 174.700 -0.084 0.000 1.012 40 T CA -0.589 61.483 62.100 -0.046 0.000 0.901 40 T CB -0.304 68.559 68.868 -0.009 0.000 1.070 40 T HN 0.404 nan 8.240 nan 0.000 0.561 41 R N 1.046 121.441 120.500 -0.174 0.000 2.261 41 R HA -0.053 4.286 4.340 -0.001 0.000 0.236 41 R C 1.242 177.480 176.300 -0.103 0.000 1.141 41 R CA 1.082 57.053 56.100 -0.215 0.000 1.001 41 R CB -0.423 29.596 30.300 -0.469 0.000 0.866 41 R HN 0.272 nan 8.270 nan 0.000 0.468 42 E N 1.029 121.195 120.200 -0.057 0.000 2.371 42 E HA -0.048 4.301 4.350 -0.001 0.000 0.194 42 E C 0.085 176.737 176.600 0.086 0.000 1.012 42 E CA 0.173 56.578 56.400 0.009 0.000 0.860 42 E CB -0.135 29.560 29.700 -0.009 0.000 0.811 42 E HN 0.392 nan 8.360 nan 0.000 0.502 43 N N 1.212 119.955 118.700 0.072 0.000 2.741 43 N HA -0.159 4.580 4.740 -0.001 0.000 0.251 43 N C -0.565 174.944 175.510 -0.002 0.000 1.112 43 N CA 0.741 53.847 53.050 0.094 0.000 0.750 43 N CB -0.944 37.459 38.487 -0.139 0.000 1.119 43 N HN 0.247 nan 8.380 nan 0.000 0.561 44 Q N 0.577 120.407 119.800 0.050 0.000 2.274 44 Q HA 0.470 4.810 4.340 -0.001 0.000 0.256 44 Q C 0.937 176.907 176.000 -0.051 0.000 0.927 44 Q CA 0.078 55.886 55.803 0.010 0.000 0.939 44 Q CB 1.869 30.596 28.738 -0.018 0.000 1.201 44 Q HN 0.444 nan 8.270 nan 0.000 0.426 45 T N -2.542 111.960 114.554 -0.087 0.000 2.865 45 T HA 0.396 4.745 4.350 -0.001 0.000 0.294 45 T C -0.027 174.667 174.700 -0.010 0.000 1.119 45 T CA -0.734 61.361 62.100 -0.009 0.000 1.007 45 T CB 0.520 69.352 68.868 -0.060 0.000 1.225 45 T HN 0.642 nan 8.240 nan 0.000 0.515 46 W N 0.861 122.289 121.300 0.214 0.000 2.699 46 W HA 0.213 4.872 4.660 -0.001 0.000 0.249 46 W C 1.816 178.381 176.519 0.077 0.000 1.280 46 W CA 0.254 57.665 57.345 0.109 0.000 1.345 46 W CB -0.319 29.167 29.460 0.043 0.000 1.128 46 W HN 0.742 nan 8.180 nan 0.000 0.642 47 N N -0.916 117.944 118.700 0.267 0.000 2.353 47 N HA 0.287 5.027 4.740 -0.001 0.000 0.185 47 N C 0.459 175.987 175.510 0.029 0.000 1.098 47 N CA 0.526 53.657 53.050 0.135 0.000 0.872 47 N CB 0.443 38.996 38.487 0.110 0.000 0.970 47 N HN 0.035 nan 8.380 nan 0.000 0.467 48 G N 0.160 108.956 108.800 -0.005 0.000 2.357 48 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.643 48 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.643 48 G C -1.701 173.150 174.900 -0.082 0.000 1.358 48 G CA -1.082 43.998 45.100 -0.034 0.000 0.986 48 G HN 0.094 nan 8.290 nan 0.000 0.620 49 Y N 1.745 121.941 120.300 -0.172 0.000 2.632 49 Y HA 0.360 4.910 4.550 -0.001 0.000 0.329 49 Y C 1.697 177.411 175.900 -0.309 0.000 1.174 49 Y CA 1.473 59.456 58.100 -0.196 0.000 1.469 49 Y CB 0.358 38.738 38.460 -0.134 0.000 1.242 49 Y HN 0.854 nan 8.280 nan 0.000 0.540 50 K N 2.109 121.890 120.400 -1.031 0.000 3.130 50 K HA -0.161 4.158 4.320 -0.001 0.000 0.282 50 K C -0.864 174.938 176.600 -1.329 0.000 1.145 50 K CA 0.769 56.268 56.287 -1.313 0.000 0.831 50 K CB -1.925 30.041 32.500 -0.890 0.000 1.226 50 K HN 0.331 nan 8.250 nan 0.000 0.478 51 V N 2.417 121.723 119.914 -1.013 0.000 2.304 51 V HA 0.324 4.443 4.120 -0.001 0.000 0.269 51 V C 0.002 175.691 176.094 -0.675 0.000 1.036 51 V CA -0.256 61.671 62.300 -0.621 0.000 0.840 51 V CB -0.130 31.522 31.823 -0.285 0.000 1.036 51 V HN 0.046 nan 8.190 nan 0.000 0.466 52 F N 1.485 121.294 119.950 -0.236 0.000 2.483 52 F HA 0.732 5.259 4.527 -0.001 0.000 0.329 52 F C 1.337 176.993 175.800 -0.240 0.000 1.064 52 F CA -0.735 57.048 58.000 -0.361 0.000 0.986 52 F CB 1.325 40.027 39.000 -0.496 0.000 1.218 52 F HN 0.598 nan 8.300 nan 0.000 0.484 53 G N 0.951 109.727 108.800 -0.040 0.000 2.168 53 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.257 53 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.257 53 G C -0.126 174.791 174.900 0.028 0.000 0.997 53 G CA -0.212 44.879 45.100 -0.015 0.000 0.708 53 G HN 0.451 nan 8.290 nan 0.000 0.520 54 Q N 0.263 120.094 119.800 0.050 0.000 2.274 54 Q HA 0.478 4.817 4.340 -0.001 0.000 0.260 54 Q C -2.141 173.954 176.000 0.158 0.000 0.974 54 Q CA -2.097 53.755 55.803 0.082 0.000 0.876 54 Q CB 2.104 30.877 28.738 0.059 0.000 1.297 54 Q HN 0.275 nan 8.270 nan 0.000 0.446 55 P HA 0.154 nan 4.420 nan 0.000 0.271 55 P C -0.558 176.760 177.300 0.029 0.000 1.244 55 P CA -0.208 62.929 63.100 0.062 0.000 0.793 55 P CB 0.855 32.565 31.700 0.017 0.000 0.984 56 V N 0.426 120.273 119.914 -0.111 0.000 3.120 56 V HA 0.395 4.514 4.120 -0.001 0.000 0.303 56 V C -1.133 174.781 176.094 -0.300 0.000 1.238 56 V CA -0.830 61.349 62.300 -0.201 0.000 1.008 56 V CB 2.541 34.171 31.823 -0.321 0.000 1.064 56 V HN 0.425 nan 8.190 nan 0.000 0.434 57 K N 4.865 125.107 120.400 -0.262 0.000 2.358 57 K HA 0.785 5.104 4.320 -0.001 0.000 0.260 57 K C -1.512 174.897 176.600 -0.319 0.000 0.956 57 K CA -0.312 55.819 56.287 -0.259 0.000 0.834 57 K CB 1.727 34.137 32.500 -0.149 0.000 1.102 57 K HN 0.532 nan 8.250 nan 0.000 0.431 58 L N 1.744 122.750 121.223 -0.361 0.000 2.371 58 L HA 0.554 4.894 4.340 -0.001 0.000 0.262 58 L C -0.112 176.709 176.870 -0.082 0.000 1.006 58 L CA -0.951 53.685 54.840 -0.339 0.000 0.818 58 L CB 2.447 44.197 42.059 -0.515 0.000 1.354 58 L HN 0.686 nan 8.230 nan 0.000 0.415 59 T N -1.176 113.322 114.554 -0.094 0.000 2.940 59 T HA 0.814 5.163 4.350 -0.001 0.000 0.288 59 T C -0.698 174.014 174.700 0.021 0.000 1.033 59 T CA -0.596 61.472 62.100 -0.054 0.000 1.033 59 T CB 1.853 70.637 68.868 -0.140 0.000 1.079 59 T HN 0.410 nan 8.240 nan 0.000 0.496 60 F N -0.807 119.085 119.950 -0.098 0.000 2.645 60 F HA 0.863 5.389 4.527 -0.001 0.000 0.310 60 F C -0.649 174.988 175.800 -0.272 0.000 1.102 60 F CA -0.901 56.999 58.000 -0.166 0.000 0.952 60 F CB 1.518 40.451 39.000 -0.112 0.000 1.326 60 F HN 0.996 nan 8.300 nan 0.000 0.456 61 S N 0.405 115.896 115.700 -0.349 0.000 2.643 61 S HA 0.754 5.223 4.470 -0.001 0.000 0.270 61 S C -1.837 172.420 174.600 -0.573 0.000 1.166 61 S CA -0.858 57.027 58.200 -0.526 0.000 0.815 61 S CB 1.581 64.596 63.200 -0.308 0.000 1.139 61 S HN 0.622 nan 8.310 nan 0.000 0.472 62 F N 1.393 121.337 119.950 -0.010 0.000 2.453 62 F HA 0.507 5.033 4.527 -0.001 0.000 0.358 62 F C -2.627 173.104 175.800 -0.115 0.000 1.129 62 F CA -2.010 55.969 58.000 -0.034 0.000 1.200 62 F CB 0.783 39.791 39.000 0.013 0.000 1.431 62 F HN 0.266 nan 8.300 nan 0.000 0.503 63 P HA -0.037 nan 4.420 nan 0.000 0.268 63 P C -0.214 176.853 177.300 -0.387 0.000 1.208 63 P CA -0.060 62.791 63.100 -0.414 0.000 0.777 63 P CB 0.815 32.024 31.700 -0.819 0.000 0.875 64 D N 1.796 122.028 120.400 -0.279 0.000 2.500 64 D HA 0.133 4.773 4.640 -0.001 0.000 0.219 64 D C -0.701 175.571 176.300 -0.046 0.000 1.137 64 D CA -0.290 53.664 54.000 -0.076 0.000 0.946 64 D CB -0.693 40.097 40.800 -0.016 0.000 1.022 64 D HN 0.141 nan 8.370 nan 0.000 0.518 65 Y N 1.727 122.134 120.300 0.178 0.000 2.304 65 Y HA 0.225 4.775 4.550 -0.001 0.000 0.327 65 Y C 1.286 177.304 175.900 0.197 0.000 1.209 65 Y CA -0.287 57.934 58.100 0.202 0.000 1.299 65 Y CB 0.793 39.421 38.460 0.281 0.000 1.249 65 Y HN -0.092 nan 8.280 nan 0.000 0.519 66 K N 3.062 123.677 120.400 0.358 0.000 2.234 66 K HA 0.060 4.379 4.320 -0.001 0.000 0.282 66 K C 0.717 177.481 176.600 0.274 0.000 1.039 66 K CA -0.301 56.152 56.287 0.276 0.000 0.928 66 K CB 0.621 33.243 32.500 0.205 0.000 1.039 66 K HN 0.735 nan 8.250 nan 0.000 0.470 67 F N 2.741 122.782 119.950 0.153 0.000 2.065 67 F HA -0.318 4.209 4.527 -0.001 0.000 0.298 67 F C 1.964 177.815 175.800 0.086 0.000 1.112 67 F CA 2.402 60.478 58.000 0.126 0.000 1.212 67 F CB 0.044 39.111 39.000 0.113 0.000 0.975 67 F HN 0.579 nan 8.300 nan 0.000 0.476 68 S N -1.123 114.708 115.700 0.217 0.000 2.607 68 S HA 0.078 4.547 4.470 -0.001 0.000 0.224 68 S C 0.906 175.524 174.600 0.030 0.000 0.969 68 S CA 0.087 58.353 58.200 0.109 0.000 0.927 68 S CB -0.630 62.669 63.200 0.166 0.000 0.772 68 S HN 0.172 nan 8.310 nan 0.000 0.533 69 S N 1.955 117.678 115.700 0.038 0.000 2.603 69 S HA 0.460 4.929 4.470 -0.001 0.000 0.268 69 S C 0.168 174.735 174.600 -0.056 0.000 1.317 69 S CA -0.346 57.871 58.200 0.029 0.000 1.012 69 S CB 0.944 64.204 63.200 0.099 0.000 0.926 69 S HN 0.426 nan 8.310 nan 0.000 0.539 70 T N 2.545 117.061 114.554 -0.064 0.000 2.829 70 T HA 0.389 4.738 4.350 -0.001 0.000 0.280 70 T C 0.117 174.725 174.700 -0.153 0.000 0.999 70 T CA -0.903 61.120 62.100 -0.129 0.000 0.983 70 T CB 0.778 69.585 68.868 -0.101 0.000 0.968 70 T HN 0.793 nan 8.240 nan 0.000 0.446 71 N N 0.732 119.256 118.700 -0.293 0.000 2.491 71 N HA 0.375 5.114 4.740 -0.001 0.000 0.279 71 N C 1.189 176.572 175.510 -0.213 0.000 1.236 71 N CA -0.916 51.929 53.050 -0.342 0.000 0.982 71 N CB 0.962 38.909 38.487 -0.900 0.000 1.194 71 N HN 0.194 nan 8.380 nan 0.000 0.582 72 V N -0.031 119.806 119.914 -0.129 0.000 2.568 72 V HA -0.188 3.931 4.120 -0.001 0.000 0.253 72 V C 2.052 178.110 176.094 -0.061 0.000 1.072 72 V CA 2.371 64.650 62.300 -0.035 0.000 1.084 72 V CB -1.138 30.678 31.823 -0.012 0.000 0.676 72 V HN 0.836 nan 8.190 nan 0.000 0.469 73 A N -1.460 121.272 122.820 -0.146 0.000 2.238 73 A HA 0.454 4.774 4.320 -0.001 0.000 0.210 73 A C 1.879 179.320 177.584 -0.238 0.000 1.179 73 A CA 1.038 52.951 52.037 -0.206 0.000 0.827 73 A CB -0.102 18.663 19.000 -0.390 0.000 0.856 73 A HN 1.388 nan 8.150 nan 0.000 0.488 74 G N -0.635 108.031 108.800 -0.223 0.000 2.176 74 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.232 74 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.232 74 G C -0.346 174.416 174.900 -0.229 0.000 0.986 74 G CA 0.110 45.096 45.100 -0.189 0.000 0.643 74 G HN 0.454 nan 8.290 nan 0.000 0.522 75 D N 0.299 120.499 120.400 -0.334 0.000 2.313 75 D HA 0.632 5.272 4.640 -0.001 0.000 0.247 75 D C 0.563 176.689 176.300 -0.290 0.000 1.094 75 D CA 0.914 54.717 54.000 -0.329 0.000 0.925 75 D CB 1.843 42.302 40.800 -0.568 0.000 1.188 75 D HN 0.180 nan 8.370 nan 0.000 0.430 76 T N -1.905 112.516 114.554 -0.221 0.000 2.626 76 T HA 0.525 4.874 4.350 -0.001 0.000 0.279 76 T C -0.087 174.391 174.700 -0.370 0.000 0.983 76 T CA 0.202 62.146 62.100 -0.261 0.000 1.059 76 T CB 0.933 69.672 68.868 -0.215 0.000 1.396 76 T HN 0.547 nan 8.240 nan 0.000 0.519 77 G N 1.418 109.799 108.800 -0.698 0.000 2.314 77 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.292 77 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.292 77 G C -0.063 174.349 174.900 -0.813 0.000 1.059 77 G CA 0.522 44.670 45.100 -1.587 0.000 0.982 77 G HN 0.686 nan 8.290 nan 0.000 0.505 78 L N 0.139 121.110 121.223 -0.420 0.000 2.436 78 L HA 0.678 5.017 4.340 -0.001 0.000 0.265 78 L C 0.951 177.982 176.870 0.267 0.000 1.168 78 L CA 0.244 55.102 54.840 0.029 0.000 0.815 78 L CB 1.330 43.429 42.059 0.067 0.000 1.109 78 L HN 0.663 nan 8.230 nan 0.000 0.462 79 S N 0.240 116.172 115.700 0.386 0.000 2.565 79 S HA 0.371 4.841 4.470 -0.001 0.000 0.269 79 S C -1.027 173.872 174.600 0.498 0.000 1.153 79 S CA -1.159 57.297 58.200 0.426 0.000 0.835 79 S CB 1.975 65.398 63.200 0.370 0.000 1.122 79 S HN 0.559 nan 8.310 nan 0.000 0.462 80 K N 0.296 120.947 120.400 0.418 0.000 2.202 80 K HA 0.379 4.698 4.320 -0.001 0.000 0.264 80 K C -0.910 175.934 176.600 0.406 0.000 1.010 80 K CA -0.543 55.974 56.287 0.383 0.000 0.940 80 K CB 0.225 32.868 32.500 0.238 0.000 0.983 80 K HN 0.515 nan 8.250 nan 0.000 0.475 81 F N 1.911 121.943 119.950 0.136 0.000 2.529 81 F HA -0.027 4.500 4.527 -0.001 0.000 0.365 81 F C 1.155 176.895 175.800 -0.101 0.000 1.102 81 F CA -0.121 57.870 58.000 -0.015 0.000 1.271 81 F CB 0.581 39.491 39.000 -0.150 0.000 1.120 81 F HN 0.557 nan 8.300 nan 0.000 0.579 82 S N 2.650 118.317 115.700 -0.054 0.000 2.640 82 S HA 0.529 4.998 4.470 -0.001 0.000 0.262 82 S C 1.177 175.688 174.600 -0.147 0.000 1.232 82 S CA -0.316 57.835 58.200 -0.081 0.000 0.988 82 S CB 0.792 63.933 63.200 -0.098 0.000 1.034 82 S HN 0.726 nan 8.310 nan 0.000 0.569 83 A N 0.169 122.925 122.820 -0.107 0.000 1.877 83 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 83 A C 2.175 179.682 177.584 -0.128 0.000 1.186 83 A CA 1.714 53.682 52.037 -0.114 0.000 0.620 83 A CB -1.311 17.652 19.000 -0.062 0.000 0.822 83 A HN 0.997 nan 8.150 nan 0.000 0.443 84 E N -0.366 119.771 120.200 -0.104 0.000 2.106 84 E HA -0.245 4.105 4.350 -0.001 0.000 0.192 84 E C 2.111 178.629 176.600 -0.137 0.000 0.984 84 E CA 1.283 57.629 56.400 -0.090 0.000 0.806 84 E CB -0.169 29.509 29.700 -0.037 0.000 0.750 84 E HN 0.766 nan 8.360 nan 0.000 0.458 85 Q N 0.049 119.706 119.800 -0.238 0.000 2.079 85 Q HA -0.187 4.153 4.340 -0.001 0.000 0.200 85 Q C 2.340 178.191 176.000 -0.248 0.000 0.974 85 Q CA 1.542 57.134 55.803 -0.352 0.000 0.840 85 Q CB -0.035 28.133 28.738 -0.949 0.000 0.898 85 Q HN 0.394 nan 8.270 nan 0.000 0.430 86 Q N 0.134 119.726 119.800 -0.347 0.000 2.061 86 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 86 Q C 2.277 178.136 176.000 -0.235 0.000 0.984 86 Q CA 1.094 56.549 55.803 -0.581 0.000 0.846 86 Q CB -0.037 28.184 28.738 -0.862 0.000 0.902 86 Q HN 0.343 nan 8.270 nan 0.000 0.421 87 Q N 0.220 119.934 119.800 -0.144 0.000 2.014 87 Q HA -0.208 4.131 4.340 -0.001 0.000 0.207 87 Q C 2.189 178.181 176.000 -0.013 0.000 0.993 87 Q CA 1.380 57.151 55.803 -0.054 0.000 0.850 87 Q CB -0.119 28.592 28.738 -0.044 0.000 0.916 87 Q HN 0.448 nan 8.270 nan 0.000 0.417 88 Q N -0.399 119.405 119.800 0.006 0.000 2.084 88 Q HA -0.092 4.248 4.340 -0.001 0.000 0.202 88 Q C 1.985 178.081 176.000 0.160 0.000 0.978 88 Q CA 1.367 57.210 55.803 0.066 0.000 0.844 88 Q CB -0.416 28.326 28.738 0.007 0.000 0.898 88 Q HN 0.369 nan 8.270 nan 0.000 0.426 89 A N 1.331 124.239 122.820 0.146 0.000 1.933 89 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 89 A C 2.090 179.567 177.584 -0.178 0.000 1.175 89 A CA 1.570 53.564 52.037 -0.072 0.000 0.628 89 A CB -0.308 18.322 19.000 -0.617 0.000 0.814 89 A HN 0.250 nan 8.150 nan 0.000 0.444 90 K N -0.468 119.862 120.400 -0.117 0.000 2.097 90 K HA 0.044 4.363 4.320 -0.001 0.000 0.205 90 K C 1.778 178.343 176.600 -0.058 0.000 1.050 90 K CA 1.081 57.293 56.287 -0.125 0.000 0.938 90 K CB -0.270 32.240 32.500 0.018 0.000 0.718 90 K HN 0.473 nan 8.250 nan 0.000 0.442 91 L N 0.313 121.540 121.223 0.007 0.000 2.056 91 L HA -0.156 4.184 4.340 -0.001 0.000 0.207 91 L C 2.286 179.185 176.870 0.048 0.000 1.078 91 L CA 1.005 55.879 54.840 0.058 0.000 0.749 91 L CB -0.353 41.753 42.059 0.078 0.000 0.901 91 L HN 0.113 nan 8.230 nan 0.000 0.433 92 S N 0.265 115.982 115.700 0.028 0.000 2.355 92 S HA -0.120 4.350 4.470 -0.001 0.000 0.222 92 S C 1.998 176.622 174.600 0.040 0.000 1.031 92 S CA 1.121 59.334 58.200 0.023 0.000 0.993 92 S CB -0.298 62.994 63.200 0.152 0.000 0.859 92 S HN 0.246 nan 8.310 nan 0.000 0.453 93 L N 1.500 122.680 121.223 -0.071 0.000 2.012 93 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 93 L C 2.864 179.764 176.870 0.050 0.000 1.073 93 L CA 1.663 56.349 54.840 -0.255 0.000 0.748 93 L CB -0.601 40.945 42.059 -0.855 0.000 0.891 93 L HN 0.385 nan 8.230 nan 0.000 0.431 94 Q N 0.071 119.908 119.800 0.061 0.000 2.112 94 Q HA -0.268 4.071 4.340 -0.001 0.000 0.206 94 Q C 2.306 178.431 176.000 0.208 0.000 0.987 94 Q CA 2.371 58.279 55.803 0.175 0.000 0.858 94 Q CB -0.095 28.730 28.738 0.144 0.000 0.905 94 Q HN 0.605 nan 8.270 nan 0.000 0.420 95 S N -1.140 114.631 115.700 0.118 0.000 2.399 95 S HA -0.172 4.298 4.470 -0.001 0.000 0.231 95 S C 1.440 176.036 174.600 -0.007 0.000 1.022 95 S CA 1.036 59.234 58.200 -0.003 0.000 0.983 95 S CB -0.784 62.184 63.200 -0.385 0.000 0.803 95 S HN 0.628 nan 8.310 nan 0.000 0.480 96 W N 1.469 122.839 121.300 0.117 0.000 2.453 96 W HA 0.377 5.036 4.660 -0.001 0.000 0.289 96 W C 2.923 179.553 176.519 0.184 0.000 1.215 96 W CA 0.177 57.614 57.345 0.154 0.000 1.297 96 W CB -0.280 29.304 29.460 0.206 0.000 1.113 96 W HN 0.398 nan 8.180 nan 0.000 0.551 97 A N 0.014 123.119 122.820 0.476 0.000 2.067 97 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 97 A C 1.485 179.203 177.584 0.223 0.000 1.158 97 A CA 1.871 54.094 52.037 0.309 0.000 0.661 97 A CB -0.579 18.624 19.000 0.339 0.000 0.801 97 A HN 0.107 nan 8.150 nan 0.000 0.452 98 D N -0.535 120.011 120.400 0.243 0.000 2.178 98 D HA -0.096 4.543 4.640 -0.001 0.000 0.202 98 D C 2.093 178.536 176.300 0.239 0.000 0.974 98 D CA 1.783 55.938 54.000 0.258 0.000 0.841 98 D CB -0.040 40.940 40.800 0.299 0.000 0.953 98 D HN 0.464 nan 8.370 nan 0.000 0.478 99 V N -2.629 117.350 119.914 0.108 0.000 3.307 99 V HA 0.533 4.652 4.120 -0.001 0.000 0.253 99 V C 0.679 176.604 176.094 -0.281 0.000 1.149 99 V CA 0.586 62.744 62.300 -0.236 0.000 1.112 99 V CB 0.032 31.747 31.823 -0.180 0.000 0.777 99 V HN 0.070 nan 8.190 nan 0.000 0.464 100 A N 0.427 123.238 122.820 -0.016 0.000 2.485 100 A HA 0.646 4.966 4.320 -0.001 0.000 0.292 100 A C -0.506 177.106 177.584 0.047 0.000 1.147 100 A CA -0.785 51.264 52.037 0.019 0.000 0.750 100 A CB 0.615 19.697 19.000 0.136 0.000 1.331 100 A HN 0.387 nan 8.150 nan 0.000 0.419 101 N N 0.356 119.090 118.700 0.057 0.000 2.971 101 N HA 0.374 5.113 4.740 -0.001 0.000 0.294 101 N C -1.167 174.294 175.510 -0.081 0.000 1.210 101 N CA 0.344 53.407 53.050 0.021 0.000 1.157 101 N CB -0.312 38.203 38.487 0.046 0.000 1.450 101 N HN 0.471 nan 8.380 nan 0.000 0.527 102 I N 0.322 120.789 120.570 -0.171 0.000 2.498 102 I HA 0.287 4.456 4.170 -0.001 0.000 0.290 102 I C -0.308 175.566 176.117 -0.405 0.000 1.032 102 I CA -0.762 60.281 61.300 -0.428 0.000 1.073 102 I CB 2.103 39.730 38.000 -0.621 0.000 1.251 102 I HN 0.054 nan 8.210 nan 0.000 0.426 103 T N 5.417 119.689 114.554 -0.469 0.000 2.792 103 T HA 0.599 4.948 4.350 -0.001 0.000 0.280 103 T C -0.702 173.754 174.700 -0.407 0.000 0.990 103 T CA -0.397 61.529 62.100 -0.289 0.000 0.960 103 T CB 0.775 69.556 68.868 -0.144 0.000 0.939 103 T HN 0.099 nan 8.240 nan 0.000 0.439 104 F N 1.624 121.593 119.950 0.032 0.000 2.469 104 F HA 0.585 5.112 4.527 -0.001 0.000 0.332 104 F C 0.739 176.656 175.800 0.194 0.000 1.103 104 F CA -0.745 57.327 58.000 0.120 0.000 0.979 104 F CB 2.108 41.191 39.000 0.137 0.000 1.137 104 F HN 0.374 nan 8.300 nan 0.000 0.463 105 T N 1.906 116.662 114.554 0.336 0.000 2.879 105 T HA 0.209 4.558 4.350 -0.001 0.000 0.290 105 T C -0.774 173.771 174.700 -0.259 0.000 0.993 105 T CA -0.814 61.343 62.100 0.095 0.000 0.975 105 T CB 1.543 70.403 68.868 -0.013 0.000 0.981 105 T HN 0.558 nan 8.240 nan 0.000 0.439 106 E N 2.744 122.680 120.200 -0.440 0.000 2.316 106 E HA 0.436 4.786 4.350 -0.001 0.000 0.275 106 E C -0.029 176.278 176.600 -0.489 0.000 1.029 106 E CA -0.613 55.198 56.400 -0.981 0.000 0.871 106 E CB 0.676 29.980 29.700 -0.660 0.000 1.022 106 E HN 0.520 nan 8.360 nan 0.000 0.418 107 V N 1.028 120.647 119.914 -0.492 0.000 3.103 107 V HA 0.818 4.938 4.120 -0.001 0.000 0.318 107 V C -0.022 175.941 176.094 -0.218 0.000 1.114 107 V CA -0.702 61.437 62.300 -0.268 0.000 1.020 107 V CB 1.271 32.971 31.823 -0.205 0.000 1.085 107 V HN 0.800 nan 8.190 nan 0.000 0.446 108 A N 1.109 123.849 122.820 -0.134 0.000 2.498 108 A HA 0.615 4.934 4.320 -0.001 0.000 0.239 108 A C 1.691 179.222 177.584 -0.088 0.000 1.068 108 A CA 0.356 52.341 52.037 -0.086 0.000 0.766 108 A CB 0.071 19.034 19.000 -0.061 0.000 1.003 108 A HN 2.179 nan 8.150 nan 0.000 0.497 109 A N 2.841 125.628 122.820 -0.055 0.000 1.940 109 A HA -0.097 4.222 4.320 -0.001 0.000 0.221 109 A C 2.283 179.817 177.584 -0.084 0.000 1.190 109 A CA 2.773 54.773 52.037 -0.062 0.000 0.647 109 A CB -1.366 17.618 19.000 -0.027 0.000 0.821 109 A HN 1.478 nan 8.150 nan 0.000 0.457 110 G N -0.002 108.762 108.800 -0.060 0.000 2.433 110 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.216 110 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.216 110 G C 0.949 175.817 174.900 -0.054 0.000 1.186 110 G CA 0.737 45.807 45.100 -0.050 0.000 0.779 110 G HN 0.789 nan 8.290 nan 0.000 0.543 111 Q N 0.297 120.061 119.800 -0.060 0.000 2.524 111 Q HA 0.225 4.565 4.340 -0.001 0.000 0.246 111 Q C -0.576 175.386 176.000 -0.064 0.000 1.063 111 Q CA -0.046 55.721 55.803 -0.059 0.000 0.945 111 Q CB 0.699 29.397 28.738 -0.068 0.000 1.292 111 Q HN 0.103 nan 8.270 nan 0.000 0.518 112 K N -0.105 120.266 120.400 -0.049 0.000 2.350 112 K HA 0.419 4.738 4.320 -0.001 0.000 0.279 112 K C -1.044 175.520 176.600 -0.060 0.000 1.027 112 K CA 0.216 56.481 56.287 -0.037 0.000 0.969 112 K CB 0.779 33.268 32.500 -0.018 0.000 0.954 112 K HN 0.659 nan 8.250 nan 0.000 0.474 113 A N 3.174 125.961 122.820 -0.056 0.000 2.515 113 A HA 0.340 4.660 4.320 -0.001 0.000 0.296 113 A C -0.200 177.351 177.584 -0.054 0.000 1.094 113 A CA -0.833 51.152 52.037 -0.087 0.000 0.718 113 A CB 1.307 20.231 19.000 -0.127 0.000 1.307 113 A HN 0.916 nan 8.150 nan 0.000 0.408 114 N N -0.407 118.226 118.700 -0.112 0.000 2.207 114 N HA 0.128 4.868 4.740 -0.001 0.000 0.182 114 N C -0.142 175.341 175.510 -0.045 0.000 1.020 114 N CA 0.963 53.913 53.050 -0.167 0.000 0.858 114 N CB 0.058 38.165 38.487 -0.633 0.000 0.991 114 N HN 0.627 nan 8.380 nan 0.000 0.427 115 I N 0.950 121.472 120.570 -0.080 0.000 2.406 115 I HA 0.228 4.397 4.170 -0.001 0.000 0.290 115 I C -0.455 175.552 176.117 -0.183 0.000 0.999 115 I CA -0.620 60.617 61.300 -0.105 0.000 1.124 115 I CB 1.758 39.701 38.000 -0.096 0.000 1.289 115 I HN 0.040 nan 8.210 nan 0.000 0.441 116 T N 2.010 116.366 114.554 -0.330 0.000 2.924 116 T HA 0.693 5.042 4.350 -0.001 0.000 0.291 116 T C -0.806 173.472 174.700 -0.704 0.000 1.045 116 T CA -0.693 61.204 62.100 -0.338 0.000 1.015 116 T CB 1.789 70.555 68.868 -0.170 0.000 1.103 116 T HN 0.145 nan 8.240 nan 0.000 0.496 117 F N 0.226 119.898 119.950 -0.464 0.000 2.507 117 F HA 0.761 5.288 4.527 -0.001 0.000 0.325 117 F C 0.718 176.110 175.800 -0.680 0.000 1.116 117 F CA -0.377 57.203 58.000 -0.699 0.000 0.930 117 F CB 2.538 40.864 39.000 -1.124 0.000 1.146 117 F HN 1.131 nan 8.300 nan 0.000 0.447 118 G N 2.079 110.585 108.800 -0.490 0.000 2.690 118 G HA2 0.506 4.465 3.960 -0.001 0.000 0.293 118 G HA3 0.506 4.465 3.960 -0.001 0.000 0.293 118 G C -1.887 173.252 174.900 0.398 0.000 1.399 118 G CA -0.995 44.025 45.100 -0.134 0.000 0.890 118 G HN 0.583 nan 8.290 nan 0.000 0.485 119 N N -0.802 118.252 118.700 0.590 0.000 2.430 119 N HA 0.694 5.434 4.740 -0.001 0.000 0.298 119 N C -1.095 174.711 175.510 0.494 0.000 1.130 119 N CA -0.646 52.734 53.050 0.550 0.000 0.894 119 N CB 1.842 40.563 38.487 0.391 0.000 1.209 119 N HN 0.688 nan 8.380 nan 0.000 0.503 120 Y N -1.785 118.686 120.300 0.285 0.000 2.576 120 Y HA 0.666 5.216 4.550 -0.001 0.000 0.346 120 Y C 0.231 176.168 175.900 0.061 0.000 1.018 120 Y CA -1.017 57.132 58.100 0.082 0.000 1.050 120 Y CB 1.521 39.968 38.460 -0.022 0.000 1.280 120 Y HN 0.523 nan 8.280 nan 0.000 0.474 121 S N -0.558 115.172 115.700 0.051 0.000 2.661 121 S HA 0.343 4.812 4.470 -0.001 0.000 0.275 121 S C -0.447 174.104 174.600 -0.082 0.000 1.075 121 S CA -0.289 57.908 58.200 -0.005 0.000 1.251 121 S CB 0.037 63.334 63.200 0.162 0.000 1.167 121 S HN 0.736 nan 8.310 nan 0.000 0.648 122 Q N 1.320 121.049 119.800 -0.118 0.000 2.372 122 Q HA 0.380 4.719 4.340 -0.001 0.000 0.273 122 Q C -0.981 174.988 176.000 -0.051 0.000 1.078 122 Q CA -0.472 55.210 55.803 -0.201 0.000 0.806 122 Q CB 1.915 30.432 28.738 -0.368 0.000 1.332 122 Q HN 0.306 nan 8.270 nan 0.000 0.435 123 D N 1.026 121.428 120.400 0.004 0.000 2.350 123 D HA 0.008 4.648 4.640 -0.001 0.000 0.213 123 D C -0.101 176.190 176.300 -0.016 0.000 1.031 123 D CA 0.264 54.272 54.000 0.012 0.000 0.861 123 D CB 0.490 41.340 40.800 0.083 0.000 0.926 123 D HN 0.511 nan 8.370 nan 0.000 0.520 124 R N -1.406 119.088 120.500 -0.010 0.000 2.687 124 R HA 0.456 4.795 4.340 -0.001 0.000 0.265 124 R C -3.307 172.972 176.300 -0.034 0.000 1.048 124 R CA -1.798 54.285 56.100 -0.029 0.000 0.884 124 R CB -0.168 30.118 30.300 -0.024 0.000 1.258 124 R HN -0.293 nan 8.270 nan 0.000 0.469 125 P HA 0.022 nan 4.420 nan 0.000 0.261 125 P C 0.604 177.908 177.300 0.007 0.000 1.183 125 P CA 1.587 64.670 63.100 -0.029 0.000 0.761 125 P CB 0.498 32.194 31.700 -0.007 0.000 0.785 126 G N 1.811 110.606 108.800 -0.009 0.000 2.153 126 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.252 126 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.252 126 G C -0.045 174.890 174.900 0.058 0.000 0.994 126 G CA 0.304 45.426 45.100 0.036 0.000 0.698 126 G HN 0.835 nan 8.290 nan 0.000 0.521 127 H N -0.899 118.084 119.070 -0.144 0.000 2.991 127 H HA 0.585 5.140 4.556 -0.001 0.000 0.304 127 H C -0.166 175.065 175.328 -0.161 0.000 1.040 127 H CA -0.979 55.031 56.048 -0.062 0.000 1.410 127 H CB 0.192 29.949 29.762 -0.009 0.000 1.529 127 H HN 0.196 nan 8.280 nan 0.000 0.509 128 Y N 2.621 122.712 120.300 -0.348 0.000 2.511 128 Y HA 0.099 4.649 4.550 -0.001 0.000 0.332 128 Y C 0.642 176.126 175.900 -0.692 0.000 1.177 128 Y CA 0.352 58.190 58.100 -0.438 0.000 1.422 128 Y CB 0.506 38.761 38.460 -0.341 0.000 1.271 128 Y HN 0.660 nan 8.280 nan 0.000 0.550 129 D N 2.176 122.319 120.400 -0.429 0.000 2.349 129 D HA 0.151 4.790 4.640 -0.001 0.000 0.232 129 D C -0.869 175.176 176.300 -0.425 0.000 1.071 129 D CA -0.448 53.389 54.000 -0.270 0.000 0.832 129 D CB 0.327 41.121 40.800 -0.011 0.000 1.086 129 D HN 0.433 nan 8.370 nan 0.000 0.504 130 Y N 1.501 121.841 120.300 0.066 0.000 2.507 130 Y HA 0.330 4.879 4.550 -0.001 0.000 0.254 130 Y C 1.968 177.906 175.900 0.063 0.000 1.171 130 Y CA -0.239 57.896 58.100 0.058 0.000 1.238 130 Y CB 1.350 39.833 38.460 0.038 0.000 1.148 130 Y HN 0.553 nan 8.280 nan 0.000 0.525 131 G N -0.601 108.294 108.800 0.160 0.000 2.833 131 G HA2 0.041 4.000 3.960 -0.001 0.000 0.210 131 G HA3 0.041 4.000 3.960 -0.001 0.000 0.210 131 G C 0.697 175.669 174.900 0.119 0.000 1.139 131 G CA 0.480 45.659 45.100 0.132 0.000 0.771 131 G HN 0.271 nan 8.290 nan 0.000 0.535 132 T N -2.791 111.853 114.554 0.149 0.000 2.936 132 T HA 0.567 4.916 4.350 -0.001 0.000 0.282 132 T C 0.624 175.444 174.700 0.199 0.000 1.003 132 T CA -0.335 61.881 62.100 0.193 0.000 1.005 132 T CB 2.465 71.508 68.868 0.293 0.000 1.097 132 T HN 0.046 nan 8.240 nan 0.000 0.532 133 Q N 0.580 120.520 119.800 0.232 0.000 2.652 133 Q HA 0.673 5.013 4.340 -0.001 0.000 0.211 133 Q C 0.033 176.200 176.000 0.279 0.000 0.858 133 Q CA 0.732 56.669 55.803 0.224 0.000 0.895 133 Q CB 0.410 29.273 28.738 0.208 0.000 1.194 133 Q HN 1.169 nan 8.270 nan 0.000 0.645 134 A N -1.159 121.842 122.820 0.302 0.000 2.540 134 A HA 0.645 4.964 4.320 -0.001 0.000 0.291 134 A C -1.920 175.782 177.584 0.196 0.000 1.083 134 A CA -0.217 51.930 52.037 0.183 0.000 0.650 134 A CB 0.446 19.532 19.000 0.144 0.000 1.292 134 A HN 0.576 nan 8.150 nan 0.000 0.435 135 Y N -3.393 116.910 120.300 0.005 0.000 2.677 135 Y HA 0.877 5.427 4.550 -0.001 0.000 0.334 135 Y C -0.517 175.248 175.900 -0.225 0.000 1.196 135 Y CA -0.738 57.304 58.100 -0.095 0.000 1.059 135 Y CB 0.702 39.046 38.460 -0.192 0.000 1.315 135 Y HN 2.049 nan 8.280 nan 0.000 0.455 136 A N 1.024 123.721 122.820 -0.206 0.000 2.610 136 A HA 0.832 5.151 4.320 -0.001 0.000 0.291 136 A C -2.399 174.869 177.584 -0.527 0.000 1.086 136 A CA -0.926 50.933 52.037 -0.298 0.000 0.677 136 A CB 1.107 20.066 19.000 -0.068 0.000 1.278 136 A HN 0.624 nan 8.150 nan 0.000 0.414 137 F N 0.296 120.280 119.950 0.057 0.000 2.469 137 F HA 0.623 5.149 4.527 -0.001 0.000 0.332 137 F C 0.130 175.915 175.800 -0.025 0.000 1.103 137 F CA -0.654 57.346 58.000 0.000 0.000 0.979 137 F CB 1.543 40.557 39.000 0.023 0.000 1.137 137 F HN 0.389 nan 8.300 nan 0.000 0.463 138 L N 4.538 125.811 121.223 0.085 0.000 2.452 138 L HA 0.312 4.651 4.340 -0.001 0.000 0.267 138 L C -2.075 174.727 176.870 -0.114 0.000 1.188 138 L CA -1.428 53.405 54.840 -0.012 0.000 0.821 138 L CB -0.119 41.916 42.059 -0.041 0.000 1.102 138 L HN 0.366 nan 8.230 nan 0.000 0.470 139 P HA 0.025 nan 4.420 nan 0.000 0.266 139 P C -0.638 176.429 177.300 -0.389 0.000 1.193 139 P CA 0.222 62.915 63.100 -0.679 0.000 0.770 139 P CB 0.116 31.147 31.700 -1.116 0.000 0.836 140 N N -1.683 116.788 118.700 -0.382 0.000 2.780 140 N HA -0.122 4.617 4.740 -0.001 0.000 0.248 140 N C -0.950 174.482 175.510 -0.129 0.000 1.102 140 N CA 0.305 53.233 53.050 -0.204 0.000 0.697 140 N CB -2.064 36.327 38.487 -0.161 0.000 1.028 140 N HN 0.356 nan 8.380 nan 0.000 0.554 141 T N 1.677 116.164 114.554 -0.111 0.000 2.762 141 T HA 0.372 4.721 4.350 -0.001 0.000 0.303 141 T C 0.343 175.009 174.700 -0.056 0.000 0.977 141 T CA -0.329 61.728 62.100 -0.071 0.000 0.961 141 T CB 0.698 69.549 68.868 -0.028 0.000 0.944 141 T HN 0.126 nan 8.240 nan 0.000 0.481 142 I N 3.213 123.772 120.570 -0.019 0.000 2.321 142 I HA 0.353 4.522 4.170 -0.001 0.000 0.291 142 I C -0.288 175.948 176.117 0.200 0.000 0.998 142 I CA -0.814 60.514 61.300 0.046 0.000 1.227 142 I CB 1.094 39.103 38.000 0.015 0.000 1.368 142 I HN 0.725 nan 8.210 nan 0.000 0.466 143 W N 7.602 128.828 121.300 -0.123 0.000 2.554 143 W HA 0.242 4.901 4.660 -0.001 0.000 0.324 143 W C -0.300 176.162 176.519 -0.095 0.000 1.018 143 W CA -0.614 56.658 57.345 -0.121 0.000 1.243 143 W CB 1.234 30.591 29.460 -0.171 0.000 1.345 143 W HN 0.663 nan 8.180 nan 0.000 0.441 144 Q N 3.526 123.088 119.800 -0.397 0.000 2.453 144 Q HA -0.229 4.111 4.340 -0.001 0.000 0.294 144 Q C 0.912 176.786 176.000 -0.210 0.000 1.295 144 Q CA 1.171 56.695 55.803 -0.465 0.000 0.853 144 Q CB -1.949 26.384 28.738 -0.675 0.000 1.193 144 Q HN 1.072 nan 8.270 nan 0.000 0.461 145 G N -0.323 108.415 108.800 -0.103 0.000 2.166 145 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.260 145 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.260 145 G C -0.026 174.847 174.900 -0.044 0.000 0.986 145 G CA 0.898 45.961 45.100 -0.063 0.000 0.683 145 G HN 0.483 nan 8.290 nan 0.000 0.527 146 Q N 0.051 119.831 119.800 -0.034 0.000 2.337 146 Q HA 0.466 4.806 4.340 -0.001 0.000 0.266 146 Q C -1.387 174.621 176.000 0.013 0.000 1.023 146 Q CA -0.949 54.847 55.803 -0.012 0.000 0.829 146 Q CB 2.186 30.912 28.738 -0.020 0.000 1.306 146 Q HN 0.206 nan 8.270 nan 0.000 0.449 147 D N 2.471 122.877 120.400 0.009 0.000 2.295 147 D HA 0.155 4.794 4.640 -0.001 0.000 0.248 147 D C 0.355 176.652 176.300 -0.005 0.000 1.154 147 D CA -0.110 53.889 54.000 -0.003 0.000 0.857 147 D CB 0.925 41.727 40.800 0.005 0.000 1.117 147 D HN 0.528 nan 8.370 nan 0.000 0.468 148 L N 2.681 123.866 121.223 -0.063 0.000 2.416 148 L HA 0.256 4.595 4.340 -0.001 0.000 0.216 148 L C 1.533 178.412 176.870 0.015 0.000 1.098 148 L CA -0.113 54.642 54.840 -0.141 0.000 0.840 148 L CB -0.322 41.413 42.059 -0.540 0.000 0.981 148 L HN 0.440 nan 8.230 nan 0.000 0.462 149 G N -0.019 108.789 108.800 0.014 0.000 2.257 149 G HA2 0.211 4.171 3.960 -0.001 0.000 0.235 149 G HA3 0.211 4.171 3.960 -0.001 0.000 0.235 149 G C 1.138 176.173 174.900 0.225 0.000 1.225 149 G CA 0.503 45.621 45.100 0.031 0.000 0.878 149 G HN 0.489 nan 8.290 nan 0.000 0.505 150 G N 1.123 110.109 108.800 0.309 0.000 2.234 150 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.235 150 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.235 150 G C 0.514 175.476 174.900 0.104 0.000 0.997 150 G CA 0.474 45.787 45.100 0.356 0.000 0.623 150 G HN 0.880 nan 8.290 nan 0.000 0.514 151 Q N 1.562 121.469 119.800 0.178 0.000 2.304 151 Q HA 0.499 4.838 4.340 -0.001 0.000 0.260 151 Q C 0.299 176.231 176.000 -0.113 0.000 0.965 151 Q CA 0.830 56.674 55.803 0.068 0.000 0.898 151 Q CB 0.973 29.970 28.738 0.431 0.000 1.196 151 Q HN 0.535 nan 8.270 nan 0.000 0.402 152 T N -0.235 113.984 114.554 -0.559 0.000 2.861 152 T HA 0.655 5.004 4.350 -0.001 0.000 0.287 152 T C -1.256 172.842 174.700 -1.002 0.000 1.003 152 T CA -0.707 60.999 62.100 -0.657 0.000 0.977 152 T CB 0.777 69.306 68.868 -0.564 0.000 0.996 152 T HN 0.535 nan 8.240 nan 0.000 0.448 153 W N 1.934 122.753 121.300 -0.800 0.000 2.915 153 W HA 0.682 5.341 4.660 -0.001 0.000 0.337 153 W C -1.613 174.486 176.519 -0.700 0.000 1.102 153 W CA -0.960 56.022 57.345 -0.605 0.000 1.224 153 W CB 1.892 30.856 29.460 -0.827 0.000 1.416 153 W HN 0.671 nan 8.180 nan 0.000 0.503 154 Y N 0.568 121.098 120.300 0.383 0.000 2.524 154 Y HA 0.232 4.782 4.550 -0.001 0.000 0.347 154 Y C -0.140 175.612 175.900 -0.247 0.000 1.005 154 Y CA -1.665 56.557 58.100 0.204 0.000 1.025 154 Y CB 1.608 40.268 38.460 0.333 0.000 1.275 154 Y HN 0.405 nan 8.280 nan 0.000 0.460 155 N N 1.333 119.844 118.700 -0.314 0.000 2.402 155 N HA 0.128 4.867 4.740 -0.001 0.000 0.259 155 N C 0.487 175.890 175.510 -0.178 0.000 1.167 155 N CA -0.063 52.613 53.050 -0.623 0.000 0.949 155 N CB 0.729 39.001 38.487 -0.357 0.000 1.212 155 N HN 0.649 nan 8.380 nan 0.000 0.493 156 V N 3.740 123.571 119.914 -0.138 0.000 3.444 156 V HA -0.077 4.042 4.120 -0.001 0.000 0.271 156 V C 1.062 177.151 176.094 -0.008 0.000 1.188 156 V CA 1.363 63.650 62.300 -0.023 0.000 1.168 156 V CB -0.838 31.005 31.823 0.034 0.000 0.810 156 V HN 0.714 nan 8.190 nan 0.000 0.500 157 N N -0.584 118.104 118.700 -0.020 0.000 2.446 157 N HA 0.003 4.742 4.740 -0.001 0.000 0.179 157 N C 0.260 175.828 175.510 0.096 0.000 1.054 157 N CA 0.087 53.164 53.050 0.046 0.000 0.905 157 N CB 0.132 38.587 38.487 -0.053 0.000 0.973 157 N HN 0.439 nan 8.380 nan 0.000 0.448 158 Q N 0.573 120.406 119.800 0.055 0.000 2.279 158 Q HA 0.108 4.448 4.340 -0.001 0.000 0.256 158 Q C 0.927 176.956 176.000 0.048 0.000 0.937 158 Q CA -0.075 55.773 55.803 0.075 0.000 0.933 158 Q CB 1.524 30.313 28.738 0.085 0.000 1.189 158 Q HN 0.257 nan 8.270 nan 0.000 0.417 159 S N 2.748 118.485 115.700 0.061 0.000 2.383 159 S HA -0.284 4.186 4.470 -0.001 0.000 0.229 159 S C 1.328 175.953 174.600 0.042 0.000 1.030 159 S CA 1.660 59.898 58.200 0.065 0.000 1.002 159 S CB -0.313 62.946 63.200 0.099 0.000 0.829 159 S HN 0.782 nan 8.310 nan 0.000 0.467 160 N N 1.719 120.442 118.700 0.038 0.000 2.166 160 N HA -0.104 4.636 4.740 -0.001 0.000 0.186 160 N C 1.410 176.864 175.510 -0.095 0.000 1.019 160 N CA 1.409 54.462 53.050 0.005 0.000 0.856 160 N CB -0.717 37.816 38.487 0.077 0.000 0.993 160 N HN 0.324 nan 8.380 nan 0.000 0.426 161 V N 0.213 120.091 119.914 -0.060 0.000 2.453 161 V HA -0.125 3.995 4.120 -0.001 0.000 0.247 161 V C 2.531 178.521 176.094 -0.174 0.000 1.048 161 V CA 1.628 63.880 62.300 -0.080 0.000 1.049 161 V CB -0.689 31.177 31.823 0.071 0.000 0.672 161 V HN 0.435 nan 8.190 nan 0.000 0.457 162 K N -0.806 119.475 120.400 -0.198 0.000 2.155 162 K HA -0.095 4.225 4.320 -0.001 0.000 0.203 162 K C 0.639 176.871 176.600 -0.614 0.000 1.052 162 K CA 1.019 57.072 56.287 -0.389 0.000 0.948 162 K CB 0.127 32.390 32.500 -0.396 0.000 0.728 162 K HN 0.486 nan 8.250 nan 0.000 0.448 163 H N 0.029 119.030 119.070 -0.115 0.000 2.379 163 H HA 0.172 4.727 4.556 -0.001 0.000 0.229 163 H C -2.200 173.033 175.328 -0.158 0.000 1.423 163 H CA -1.919 54.059 56.048 -0.117 0.000 1.375 163 H CB 1.533 31.253 29.762 -0.070 0.000 1.592 163 H HN 0.221 nan 8.280 nan 0.000 0.507 164 P HA -0.022 nan 4.420 nan 0.000 0.233 164 P C 1.288 178.487 177.300 -0.167 0.000 1.167 164 P CA 0.571 63.487 63.100 -0.306 0.000 0.770 164 P CB 0.390 31.689 31.700 -0.668 0.000 0.837 165 A N 0.211 122.983 122.820 -0.080 0.000 2.123 165 A HA -0.004 4.315 4.320 -0.001 0.000 0.214 165 A C 1.966 179.537 177.584 -0.021 0.000 1.152 165 A CA 1.796 53.807 52.037 -0.043 0.000 0.728 165 A CB -1.134 17.852 19.000 -0.024 0.000 0.814 165 A HN 0.360 nan 8.150 nan 0.000 0.464 166 T N -3.987 110.561 114.554 -0.010 0.000 2.959 166 T HA 0.265 4.615 4.350 -0.001 0.000 0.254 166 T C 0.304 175.017 174.700 0.022 0.000 1.003 166 T CA -0.068 62.032 62.100 -0.000 0.000 0.950 166 T CB 0.173 69.024 68.868 -0.028 0.000 1.090 166 T HN 0.327 nan 8.240 nan 0.000 0.503 167 E N 2.432 122.641 120.200 0.015 0.000 2.102 167 E HA 0.215 4.565 4.350 -0.001 0.000 0.263 167 E C -0.153 176.460 176.600 0.021 0.000 0.894 167 E CA -0.378 56.044 56.400 0.037 0.000 0.746 167 E CB 1.201 30.922 29.700 0.034 0.000 1.129 167 E HN 0.372 nan 8.360 nan 0.000 0.416 168 D N 2.562 123.024 120.400 0.103 0.000 2.309 168 D HA -0.258 4.381 4.640 -0.001 0.000 0.212 168 D C 1.393 177.739 176.300 0.076 0.000 0.968 168 D CA 0.857 54.929 54.000 0.120 0.000 0.882 168 D CB -0.152 40.785 40.800 0.230 0.000 0.918 168 D HN 0.472 nan 8.370 nan 0.000 0.503 169 Y N 1.439 121.666 120.300 -0.121 0.000 2.293 169 Y HA 0.086 4.635 4.550 -0.001 0.000 0.291 169 Y C 2.463 178.210 175.900 -0.255 0.000 1.137 169 Y CA 1.478 59.341 58.100 -0.394 0.000 1.202 169 Y CB -0.334 37.782 38.460 -0.574 0.000 0.990 169 Y HN 0.049 nan 8.280 nan 0.000 0.537 170 G N -0.185 108.468 108.800 -0.244 0.000 2.404 170 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.215 170 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.215 170 G C 1.719 176.216 174.900 -0.672 0.000 1.174 170 G CA 0.884 45.726 45.100 -0.430 0.000 0.780 170 G HN 0.306 nan 8.290 nan 0.000 0.537 171 R N 0.560 120.776 120.500 -0.473 0.000 2.081 171 R HA -0.050 4.289 4.340 -0.001 0.000 0.235 171 R C 2.542 178.710 176.300 -0.221 0.000 1.131 171 R CA 2.118 57.989 56.100 -0.382 0.000 0.960 171 R CB -0.833 29.358 30.300 -0.182 0.000 0.856 171 R HN 0.498 nan 8.270 nan 0.000 0.436 172 Q N -0.751 118.928 119.800 -0.201 0.000 2.135 172 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 172 Q C 1.400 177.330 176.000 -0.115 0.000 0.981 172 Q CA 2.284 58.003 55.803 -0.141 0.000 0.856 172 Q CB -0.153 28.511 28.738 -0.123 0.000 0.902 172 Q HN 0.404 nan 8.270 nan 0.000 0.425 173 T N 0.651 115.049 114.554 -0.260 0.000 2.746 173 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 173 T C 1.272 176.238 174.700 0.443 0.000 1.039 173 T CA 1.248 63.329 62.100 -0.031 0.000 1.142 173 T CB -0.292 68.528 68.868 -0.081 0.000 0.866 173 T HN 0.246 nan 8.240 nan 0.000 0.444 174 F N 2.089 122.139 119.950 0.166 0.000 2.069 174 F HA -0.105 4.421 4.527 -0.001 0.000 0.298 174 F C 2.865 178.862 175.800 0.327 0.000 1.113 174 F CA 0.906 59.071 58.000 0.274 0.000 1.214 174 F CB -1.758 37.303 39.000 0.102 0.000 0.978 174 F HN 0.146 nan 8.300 nan 0.000 0.474 175 T N -1.710 113.092 114.554 0.412 0.000 2.746 175 T HA -0.257 4.092 4.350 -0.001 0.000 0.267 175 T C 1.790 176.795 174.700 0.508 0.000 1.039 175 T CA 1.849 64.170 62.100 0.368 0.000 1.142 175 T CB -0.649 68.237 68.868 0.030 0.000 0.866 175 T HN 0.427 nan 8.240 nan 0.000 0.444 176 H N 1.065 120.289 119.070 0.257 0.000 2.326 176 H HA -0.043 4.512 4.556 -0.001 0.000 0.301 176 H C 2.308 177.696 175.328 0.101 0.000 1.081 176 H CA 1.449 57.589 56.048 0.153 0.000 1.334 176 H CB 0.139 29.936 29.762 0.058 0.000 1.385 176 H HN 0.107 nan 8.280 nan 0.000 0.504 177 E N 0.632 121.107 120.200 0.458 0.000 2.077 177 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 177 E C 2.497 179.197 176.600 0.167 0.000 0.989 177 E CA 1.012 57.617 56.400 0.342 0.000 0.800 177 E CB -0.174 29.709 29.700 0.305 0.000 0.746 177 E HN 0.635 nan 8.360 nan 0.000 0.452 178 I N 0.811 121.512 120.570 0.218 0.000 2.286 178 I HA -0.188 3.981 4.170 -0.001 0.000 0.248 178 I C 2.423 178.460 176.117 -0.134 0.000 1.115 178 I CA 1.173 62.520 61.300 0.080 0.000 1.392 178 I CB -0.566 37.581 38.000 0.245 0.000 1.065 178 I HN 0.114 nan 8.210 nan 0.000 0.418 179 G N 0.291 109.010 108.800 -0.134 0.000 2.446 179 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.217 179 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.217 179 G C 1.512 176.231 174.900 -0.302 0.000 1.168 179 G CA 0.776 45.609 45.100 -0.445 0.000 0.771 179 G HN 0.355 nan 8.290 nan 0.000 0.551 180 H N 0.829 119.820 119.070 -0.132 0.000 2.321 180 H HA 0.034 4.589 4.556 -0.001 0.000 0.300 180 H C 2.963 178.258 175.328 -0.056 0.000 1.087 180 H CA 1.177 57.156 56.048 -0.116 0.000 1.319 180 H CB -0.728 28.971 29.762 -0.105 0.000 1.379 180 H HN 0.374 nan 8.280 nan 0.000 0.501 181 A N 0.859 123.741 122.820 0.104 0.000 2.131 181 A HA -0.094 4.226 4.320 -0.001 0.000 0.220 181 A C 2.444 180.201 177.584 0.288 0.000 1.158 181 A CA 0.992 53.122 52.037 0.155 0.000 0.665 181 A CB -0.688 18.366 19.000 0.090 0.000 0.795 181 A HN 0.315 nan 8.150 nan 0.000 0.460 182 L N -2.588 118.718 121.223 0.138 0.000 2.554 182 L HA 0.284 4.623 4.340 -0.001 0.000 0.225 182 L C 1.606 178.608 176.870 0.220 0.000 1.104 182 L CA 0.632 55.619 54.840 0.244 0.000 0.866 182 L CB 0.218 42.260 42.059 -0.030 0.000 1.047 182 L HN 0.536 nan 8.230 nan 0.000 0.468 183 G N -0.105 108.735 108.800 0.067 0.000 2.198 183 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.156 183 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.156 183 G C 0.045 174.944 174.900 -0.002 0.000 1.012 183 G CA -0.646 44.467 45.100 0.020 0.000 0.692 183 G HN 0.060 nan 8.290 nan 0.000 0.492 184 L N 1.317 122.524 121.223 -0.027 0.000 2.379 184 L HA 0.744 5.083 4.340 -0.001 0.000 0.269 184 L C 0.559 177.456 176.870 0.044 0.000 1.084 184 L CA -0.483 54.340 54.840 -0.030 0.000 0.802 184 L CB 1.518 43.523 42.059 -0.090 0.000 1.175 184 L HN 0.141 nan 8.230 nan 0.000 0.448 185 S N -1.461 114.253 115.700 0.024 0.000 2.759 185 S HA 0.447 4.916 4.470 -0.001 0.000 0.310 185 S C -0.593 174.042 174.600 0.058 0.000 1.123 185 S CA -0.769 57.442 58.200 0.019 0.000 0.959 185 S CB 1.250 64.423 63.200 -0.044 0.000 1.172 185 S HN 0.507 nan 8.310 nan 0.000 0.539 186 H N 0.950 120.132 119.070 0.186 0.000 2.771 186 H HA 0.121 4.676 4.556 -0.001 0.000 0.364 186 H C -1.716 173.711 175.328 0.165 0.000 1.133 186 H CA -1.588 54.561 56.048 0.167 0.000 1.423 186 H CB 0.217 30.117 29.762 0.231 0.000 1.425 186 H HN 0.332 nan 8.280 nan 0.000 0.606 187 P HA 0.020 nan 4.420 nan 0.000 0.239 187 P C -0.046 177.581 177.300 0.545 0.000 1.184 187 P CA 0.722 64.122 63.100 0.501 0.000 0.760 187 P CB 0.570 32.544 31.700 0.456 0.000 0.884 188 G N -1.455 107.467 108.800 0.203 0.000 2.677 188 G HA2 0.213 4.172 3.960 -0.001 0.000 0.291 188 G HA3 0.213 4.172 3.960 -0.001 0.000 0.291 188 G C -0.558 173.904 174.900 -0.730 0.000 1.435 188 G CA -0.382 44.651 45.100 -0.112 0.000 0.826 188 G HN -0.280 nan 8.290 nan 0.000 0.491 189 D N -0.621 119.520 120.400 -0.431 0.000 2.277 189 D HA 0.021 4.661 4.640 -0.001 0.000 0.209 189 D C 0.389 176.529 176.300 -0.267 0.000 0.970 189 D CA 0.668 54.490 54.000 -0.298 0.000 0.874 189 D CB 0.038 40.802 40.800 -0.059 0.000 0.982 189 D HN 0.464 nan 8.370 nan 0.000 0.504 190 Y N 0.775 121.197 120.300 0.204 0.000 3.721 190 Y HA -0.273 4.276 4.550 -0.001 0.000 0.218 190 Y C 1.305 177.282 175.900 0.129 0.000 1.188 190 Y CA 0.411 58.618 58.100 0.177 0.000 1.607 190 Y CB -3.254 35.369 38.460 0.271 0.000 1.496 190 Y HN 0.279 nan 8.280 nan 0.000 0.626 191 N N 0.526 119.323 118.700 0.162 0.000 2.453 191 N HA 0.069 4.808 4.740 -0.001 0.000 0.183 191 N C 1.192 176.764 175.510 0.104 0.000 1.041 191 N CA 0.433 53.552 53.050 0.115 0.000 0.900 191 N CB 0.066 38.596 38.487 0.070 0.000 0.961 191 N HN 0.547 nan 8.380 nan 0.000 0.443 192 A N 0.827 123.716 122.820 0.114 0.000 2.614 192 A HA 0.298 4.617 4.320 -0.001 0.000 0.231 192 A C 1.615 179.241 177.584 0.069 0.000 1.076 192 A CA 0.732 52.816 52.037 0.079 0.000 0.767 192 A CB -0.946 18.095 19.000 0.068 0.000 1.012 192 A HN 0.571 nan 8.150 nan 0.000 0.512 193 G N -0.178 108.648 108.800 0.044 0.000 2.987 193 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.363 193 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.363 193 G C 0.845 175.769 174.900 0.039 0.000 1.224 193 G CA 1.680 46.800 45.100 0.034 0.000 1.042 193 G HN 1.349 nan 8.290 nan 0.000 0.644 194 E N -0.452 119.776 120.200 0.047 0.000 4.448 194 E HA 0.463 4.813 4.350 -0.001 0.000 0.159 194 E C 1.242 177.881 176.600 0.066 0.000 1.117 194 E CA 0.427 56.855 56.400 0.046 0.000 0.873 194 E CB 0.214 29.933 29.700 0.033 0.000 1.896 194 E HN 0.938 nan 8.360 nan 0.000 0.412 195 G N 1.170 110.006 108.800 0.060 0.000 4.144 195 G HA2 0.242 4.201 3.960 -0.001 0.000 0.297 195 G HA3 0.242 4.201 3.960 -0.001 0.000 0.297 195 G C -0.422 174.522 174.900 0.073 0.000 1.090 195 G CA -0.300 44.845 45.100 0.075 0.000 0.870 195 G HN 0.273 nan 8.290 nan 0.000 0.532 196 N N 2.070 120.811 118.700 0.070 0.000 2.914 196 N HA 0.246 4.985 4.740 -0.001 0.000 0.304 196 N C -2.476 173.075 175.510 0.068 0.000 1.727 196 N CA -1.041 52.044 53.050 0.059 0.000 0.986 196 N CB 1.675 40.182 38.487 0.034 0.000 1.297 196 N HN 0.190 nan 8.380 nan 0.000 0.490 197 P HA 0.193 nan 4.420 nan 0.000 0.275 197 P C -0.380 176.963 177.300 0.071 0.000 1.228 197 P CA 0.106 63.292 63.100 0.143 0.000 0.786 197 P CB 1.703 33.583 31.700 0.299 0.000 0.927 198 T N 0.891 115.266 114.554 -0.298 0.000 2.864 198 T HA 0.113 4.462 4.350 -0.001 0.000 0.299 198 T C 0.319 174.162 174.700 -1.428 0.000 1.166 198 T CA -0.136 61.489 62.100 -0.790 0.000 1.007 198 T CB 0.966 69.629 68.868 -0.341 0.000 1.219 198 T HN 0.348 nan 8.240 nan 0.000 0.506 199 Y N 1.618 120.903 120.300 -1.691 0.000 2.256 199 Y HA -0.125 4.424 4.550 -0.001 0.000 0.288 199 Y C 2.411 177.873 175.900 -0.730 0.000 1.155 199 Y CA 1.697 58.910 58.100 -1.479 0.000 1.203 199 Y CB -0.036 37.944 38.460 -0.800 0.000 0.980 199 Y HN 0.499 nan 8.280 nan 0.000 0.530 200 R N 0.143 120.332 120.500 -0.518 0.000 2.139 200 R HA -0.189 4.150 4.340 -0.001 0.000 0.243 200 R C 1.232 177.329 176.300 -0.338 0.000 1.145 200 R CA 1.642 57.532 56.100 -0.349 0.000 0.976 200 R CB -0.273 29.901 30.300 -0.209 0.000 0.866 200 R HN 0.467 nan 8.270 nan 0.000 0.449 201 D N 0.416 120.621 120.400 -0.327 0.000 2.349 201 D HA -0.037 4.602 4.640 -0.001 0.000 0.224 201 D C 0.731 177.043 176.300 0.020 0.000 1.029 201 D CA 0.338 54.274 54.000 -0.106 0.000 0.879 201 D CB -0.062 40.756 40.800 0.029 0.000 0.906 201 D HN 0.101 nan 8.370 nan 0.000 0.528 202 V N -0.777 119.030 119.914 -0.180 0.000 3.096 202 V HA 0.069 4.188 4.120 -0.001 0.000 0.306 202 V C 1.375 177.396 176.094 -0.123 0.000 1.088 202 V CA 0.014 62.281 62.300 -0.055 0.000 1.129 202 V CB 1.010 32.609 31.823 -0.373 0.000 1.014 202 V HN -0.138 nan 8.190 nan 0.000 0.486 203 T N 2.255 116.758 114.554 -0.085 0.000 2.937 203 T HA 0.180 4.529 4.350 -0.001 0.000 0.260 203 T C 0.143 174.642 174.700 -0.335 0.000 1.051 203 T CA 1.875 63.880 62.100 -0.160 0.000 1.141 203 T CB -0.296 68.478 68.868 -0.156 0.000 0.879 203 T HN 0.954 nan 8.240 nan 0.000 0.459 204 Y N -1.865 118.072 120.300 -0.605 0.000 2.553 204 Y HA 0.815 5.365 4.550 -0.001 0.000 0.347 204 Y C 0.888 176.535 175.900 -0.421 0.000 1.019 204 Y CA -1.776 55.856 58.100 -0.779 0.000 1.032 204 Y CB 0.893 38.365 38.460 -1.647 0.000 1.284 204 Y HN -0.103 nan 8.280 nan 0.000 0.466 205 A N 1.177 123.839 122.820 -0.264 0.000 1.940 205 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 205 A C 1.257 178.764 177.584 -0.128 0.000 1.176 205 A CA 1.990 53.948 52.037 -0.132 0.000 0.631 205 A CB -0.735 18.253 19.000 -0.020 0.000 0.814 205 A HN 0.871 nan 8.150 nan 0.000 0.446 206 E N 0.580 120.609 120.200 -0.284 0.000 2.438 206 E HA 0.030 4.379 4.350 -0.001 0.000 0.192 206 E C -0.122 176.272 176.600 -0.342 0.000 1.110 206 E CA 0.189 56.282 56.400 -0.512 0.000 0.893 206 E CB -0.154 28.982 29.700 -0.940 0.000 0.990 206 E HN 0.471 nan 8.360 nan 0.000 0.490 207 D N 1.576 121.692 120.400 -0.474 0.000 2.508 207 D HA 0.019 4.658 4.640 -0.001 0.000 0.224 207 D C -0.584 175.886 176.300 0.282 0.000 1.171 207 D CA -0.015 53.852 54.000 -0.221 0.000 1.006 207 D CB -0.262 40.324 40.800 -0.357 0.000 1.073 207 D HN 0.100 nan 8.370 nan 0.000 0.513 208 T N -0.840 113.889 114.554 0.292 0.000 2.816 208 T HA 0.381 4.731 4.350 -0.001 0.000 0.299 208 T C 0.953 175.814 174.700 0.268 0.000 1.230 208 T CA -0.933 61.358 62.100 0.318 0.000 1.007 208 T CB 1.192 70.193 68.868 0.223 0.000 1.289 208 T HN 0.124 nan 8.240 nan 0.000 0.508 209 R N 0.061 120.679 120.500 0.197 0.000 2.357 209 R HA -0.014 4.325 4.340 -0.001 0.000 0.202 209 R C 2.208 178.566 176.300 0.098 0.000 1.047 209 R CA 0.814 57.008 56.100 0.157 0.000 1.034 209 R CB -0.121 30.277 30.300 0.164 0.000 0.875 209 R HN 0.729 nan 8.270 nan 0.000 0.473 210 Q N -0.378 119.459 119.800 0.060 0.000 2.137 210 Q HA -0.088 4.251 4.340 -0.001 0.000 0.198 210 Q C 0.821 176.698 176.000 -0.206 0.000 0.960 210 Q CA 1.339 57.036 55.803 -0.176 0.000 0.847 210 Q CB 0.229 28.709 28.738 -0.430 0.000 0.915 210 Q HN 0.265 nan 8.270 nan 0.000 0.448 211 F N -0.919 119.091 119.950 0.100 0.000 2.622 211 F HA 0.294 4.821 4.527 -0.001 0.000 0.288 211 F C 0.618 176.526 175.800 0.181 0.000 1.120 211 F CA -0.118 57.998 58.000 0.195 0.000 1.423 211 F CB 1.130 40.253 39.000 0.204 0.000 1.127 211 F HN -0.150 nan 8.300 nan 0.000 0.588 212 S N 0.133 116.034 115.700 0.334 0.000 2.566 212 S HA 0.417 4.886 4.470 -0.001 0.000 0.273 212 S C 0.021 174.727 174.600 0.176 0.000 1.157 212 S CA -0.730 57.617 58.200 0.245 0.000 0.938 212 S CB 0.952 64.322 63.200 0.282 0.000 1.087 212 S HN 0.129 nan 8.310 nan 0.000 0.474 213 L N 2.957 124.261 121.223 0.135 0.000 2.599 213 L HA 0.411 4.750 4.340 -0.001 0.000 0.230 213 L C 1.522 178.483 176.870 0.152 0.000 1.141 213 L CA 0.758 55.676 54.840 0.131 0.000 0.877 213 L CB -0.855 41.261 42.059 0.094 0.000 1.009 213 L HN 0.532 nan 8.230 nan 0.000 0.447 214 M N -0.780 118.872 119.600 0.085 0.000 2.506 214 M HA 0.163 4.643 4.480 -0.001 0.000 0.260 214 M C 1.069 177.381 176.300 0.021 0.000 1.104 214 M CA 0.327 55.600 55.300 -0.045 0.000 1.112 214 M CB -0.734 31.852 32.600 -0.023 0.000 1.401 214 M HN 0.459 nan 8.290 nan 0.000 0.473 215 S N -0.705 115.005 115.700 0.018 0.000 2.617 215 S HA 0.191 4.661 4.470 -0.001 0.000 0.269 215 S C 0.312 174.701 174.600 -0.352 0.000 1.292 215 S CA -0.284 57.860 58.200 -0.094 0.000 1.010 215 S CB 0.864 64.111 63.200 0.077 0.000 0.944 215 S HN 0.299 nan 8.310 nan 0.000 0.536 216 Y N 0.719 120.727 120.300 -0.486 0.000 2.442 216 Y HA 0.368 4.917 4.550 -0.001 0.000 0.250 216 Y C -0.024 175.585 175.900 -0.486 0.000 1.113 216 Y CA -0.916 56.822 58.100 -0.603 0.000 1.273 216 Y CB 0.146 38.002 38.460 -1.007 0.000 1.138 216 Y HN 0.593 nan 8.280 nan 0.000 0.522 217 W N 0.217 121.628 121.300 0.186 0.000 2.316 217 W HA 0.419 5.079 4.660 -0.000 0.000 0.321 217 W C 0.878 177.442 176.519 0.074 0.000 1.203 217 W CA -0.998 56.419 57.345 0.119 0.000 1.214 217 W CB 0.628 30.189 29.460 0.169 0.000 1.169 217 W HN -0.336 nan 8.180 nan 0.000 0.561 218 S N 2.829 118.702 115.700 0.288 0.000 2.558 218 S HA -0.140 4.329 4.470 -0.001 0.000 0.293 218 S C 1.599 176.221 174.600 0.037 0.000 1.292 218 S CA -0.079 58.193 58.200 0.119 0.000 1.063 218 S CB 0.570 63.798 63.200 0.047 0.000 0.831 218 S HN 0.606 nan 8.310 nan 0.000 0.499 219 E N 3.790 123.997 120.200 0.011 0.000 2.265 219 E HA -0.168 4.181 4.350 -0.001 0.000 0.196 219 E C 1.635 178.187 176.600 -0.081 0.000 0.996 219 E CA 1.692 58.070 56.400 -0.037 0.000 0.832 219 E CB -1.315 28.339 29.700 -0.077 0.000 0.756 219 E HN 0.846 nan 8.360 nan 0.000 0.491 220 T N -0.640 113.863 114.554 -0.085 0.000 2.929 220 T HA -0.098 4.252 4.350 -0.001 0.000 0.271 220 T C 1.600 176.213 174.700 -0.146 0.000 1.085 220 T CA 1.060 63.102 62.100 -0.097 0.000 1.125 220 T CB -0.374 68.445 68.868 -0.081 0.000 0.874 220 T HN 0.086 nan 8.240 nan 0.000 0.494 221 N N 1.809 120.365 118.700 -0.241 0.000 2.289 221 N HA -0.072 4.668 4.740 -0.001 0.000 0.184 221 N C 1.562 176.872 175.510 -0.333 0.000 1.016 221 N CA 1.877 54.642 53.050 -0.477 0.000 0.872 221 N CB -0.243 37.574 38.487 -1.116 0.000 0.973 221 N HN 0.798 nan 8.380 nan 0.000 0.433 222 T N -4.022 110.441 114.554 -0.150 0.000 3.129 222 T HA 0.439 4.788 4.350 -0.001 0.000 0.267 222 T C 1.136 175.872 174.700 0.059 0.000 1.018 222 T CA 0.269 62.376 62.100 0.011 0.000 0.903 222 T CB 0.868 69.852 68.868 0.193 0.000 1.067 222 T HN 0.209 nan 8.240 nan 0.000 0.549 223 G N 0.324 109.117 108.800 -0.012 0.000 2.176 223 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.232 223 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.232 223 G C 0.402 175.307 174.900 0.008 0.000 0.986 223 G CA -0.363 44.740 45.100 0.006 0.000 0.643 223 G HN 0.975 nan 8.290 nan 0.000 0.522 224 G N -0.849 107.918 108.800 -0.056 0.000 2.522 224 G HA2 0.556 4.515 3.960 -0.001 0.000 0.304 224 G HA3 0.556 4.515 3.960 -0.001 0.000 0.304 224 G C -0.968 173.884 174.900 -0.080 0.000 1.210 224 G CA 0.478 45.515 45.100 -0.104 0.000 0.960 224 G HN 0.522 nan 8.290 nan 0.000 0.497 225 D N -1.411 118.938 120.400 -0.085 0.000 2.419 225 D HA 0.071 4.710 4.640 -0.001 0.000 0.219 225 D C -0.237 176.008 176.300 -0.091 0.000 1.349 225 D CA -0.562 53.388 54.000 -0.083 0.000 0.964 225 D CB 0.267 41.028 40.800 -0.065 0.000 1.463 225 D HN 0.338 nan 8.370 nan 0.000 0.573 226 N N 1.589 120.224 118.700 -0.107 0.000 2.314 226 N HA 0.245 4.984 4.740 -0.001 0.000 0.200 226 N C 1.057 176.532 175.510 -0.058 0.000 1.135 226 N CA 0.144 53.139 53.050 -0.092 0.000 0.835 226 N CB 0.535 38.950 38.487 -0.120 0.000 0.989 226 N HN 0.589 nan 8.380 nan 0.000 0.478 227 G N 0.955 109.700 108.800 -0.091 0.000 2.341 227 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.292 227 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.292 227 G C 0.949 175.682 174.900 -0.279 0.000 1.021 227 G CA 0.469 45.502 45.100 -0.111 0.000 0.905 227 G HN 0.575 nan 8.290 nan 0.000 0.508 228 G N -1.927 106.691 108.800 -0.304 0.000 2.159 228 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.256 228 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.256 228 G C 0.292 174.890 174.900 -0.504 0.000 0.977 228 G CA 0.895 45.773 45.100 -0.371 0.000 0.652 228 G HN 1.203 nan 8.290 nan 0.000 0.531 229 H N -1.170 117.729 119.070 -0.285 0.000 2.559 229 H HA 0.657 5.212 4.556 -0.001 0.000 0.343 229 H C -0.706 174.281 175.328 -0.569 0.000 1.209 229 H CA -0.278 55.619 56.048 -0.252 0.000 1.287 229 H CB 1.117 30.817 29.762 -0.103 0.000 1.650 229 H HN 0.173 nan 8.280 nan 0.000 0.567 230 Y N -0.720 119.702 120.300 0.203 0.000 2.361 230 Y HA 0.398 4.947 4.550 -0.001 0.000 0.337 230 Y C 0.277 176.230 175.900 0.088 0.000 0.965 230 Y CA -0.977 57.210 58.100 0.145 0.000 1.091 230 Y CB 1.516 40.085 38.460 0.180 0.000 1.182 230 Y HN 0.693 nan 8.280 nan 0.000 0.450 231 A N 1.666 124.588 122.820 0.170 0.000 2.511 231 A HA 0.436 4.755 4.320 -0.001 0.000 0.242 231 A C 1.055 178.666 177.584 0.046 0.000 1.069 231 A CA 0.509 52.598 52.037 0.087 0.000 0.763 231 A CB 0.101 19.133 19.000 0.054 0.000 1.001 231 A HN 1.040 nan 8.150 nan 0.000 0.498 232 A N 2.061 124.868 122.820 -0.021 0.000 2.081 232 A HA 0.546 4.865 4.320 -0.001 0.000 0.214 232 A C 1.197 178.575 177.584 -0.343 0.000 1.158 232 A CA 1.268 53.234 52.037 -0.119 0.000 0.724 232 A CB -0.189 18.778 19.000 -0.055 0.000 0.826 232 A HN 1.873 nan 8.150 nan 0.000 0.463 233 A N -0.333 122.185 122.820 -0.503 0.000 2.423 233 A HA 0.703 5.022 4.320 -0.001 0.000 0.304 233 A C -2.975 174.311 177.584 -0.497 0.000 1.104 233 A CA -2.109 49.479 52.037 -0.748 0.000 0.757 233 A CB 0.441 18.497 19.000 -1.573 0.000 1.313 233 A HN 0.025 nan 8.150 nan 0.000 0.423 234 P HA 0.082 nan 4.420 nan 0.000 0.261 234 P C -0.411 176.793 177.300 -0.161 0.000 1.165 234 P CA 0.700 63.504 63.100 -0.493 0.000 0.759 234 P CB 0.157 31.439 31.700 -0.697 0.000 0.772 235 L N 2.858 124.060 121.223 -0.036 0.000 2.657 235 L HA 0.221 4.560 4.340 -0.001 0.000 0.240 235 L C 2.114 179.049 176.870 0.109 0.000 1.151 235 L CA -0.876 53.999 54.840 0.058 0.000 0.831 235 L CB -0.253 41.861 42.059 0.090 0.000 1.539 235 L HN 0.227 nan 8.230 nan 0.000 0.511 236 L N 0.585 121.885 121.223 0.129 0.000 1.997 236 L HA -0.267 4.073 4.340 -0.001 0.000 0.216 236 L C 1.886 178.879 176.870 0.206 0.000 1.074 236 L CA 2.104 57.032 54.840 0.148 0.000 0.763 236 L CB -0.547 41.574 42.059 0.103 0.000 0.890 236 L HN 0.601 nan 8.230 nan 0.000 0.434 237 D N -0.896 119.675 120.400 0.284 0.000 2.234 237 D HA -0.122 4.517 4.640 -0.001 0.000 0.205 237 D C 1.787 178.223 176.300 0.227 0.000 0.962 237 D CA 0.965 55.128 54.000 0.271 0.000 0.855 237 D CB -0.252 40.756 40.800 0.347 0.000 0.951 237 D HN 0.443 nan 8.370 nan 0.000 0.500 238 D N 0.579 121.114 120.400 0.224 0.000 2.117 238 D HA -0.071 4.569 4.640 -0.001 0.000 0.198 238 D C 2.320 178.768 176.300 0.247 0.000 0.982 238 D CA 0.433 54.587 54.000 0.256 0.000 0.828 238 D CB -0.088 40.847 40.800 0.225 0.000 0.967 238 D HN 0.267 nan 8.370 nan 0.000 0.464 239 I N 1.537 122.204 120.570 0.161 0.000 2.179 239 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 239 I C 2.598 178.763 176.117 0.081 0.000 1.088 239 I CA 1.080 62.443 61.300 0.105 0.000 1.357 239 I CB -0.269 37.774 38.000 0.071 0.000 1.051 239 I HN -0.085 nan 8.210 nan 0.000 0.409 240 A N 0.806 123.684 122.820 0.096 0.000 1.908 240 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 240 A C 2.547 180.171 177.584 0.067 0.000 1.181 240 A CA 2.110 54.188 52.037 0.068 0.000 0.627 240 A CB -0.930 18.112 19.000 0.071 0.000 0.818 240 A HN 0.450 nan 8.150 nan 0.000 0.445 241 A N -0.458 122.421 122.820 0.100 0.000 1.845 241 A HA -0.107 4.212 4.320 -0.001 0.000 0.215 241 A C 2.132 179.769 177.584 0.089 0.000 1.195 241 A CA 1.801 53.894 52.037 0.093 0.000 0.616 241 A CB -0.662 18.412 19.000 0.123 0.000 0.832 241 A HN 0.579 nan 8.150 nan 0.000 0.443 242 I N -0.103 120.550 120.570 0.139 0.000 2.394 242 I HA -0.225 3.944 4.170 -0.001 0.000 0.251 242 I C 2.475 178.639 176.117 0.077 0.000 1.136 242 I CA 1.494 62.877 61.300 0.138 0.000 1.425 242 I CB -0.276 37.907 38.000 0.305 0.000 1.079 242 I HN 0.423 nan 8.210 nan 0.000 0.425 243 Q N -1.136 118.685 119.800 0.035 0.000 2.172 243 Q HA -0.261 4.079 4.340 -0.001 0.000 0.200 243 Q C 2.086 178.080 176.000 -0.010 0.000 0.964 243 Q CA 1.533 57.321 55.803 -0.025 0.000 0.855 243 Q CB -0.347 28.320 28.738 -0.117 0.000 0.918 243 Q HN 0.618 nan 8.270 nan 0.000 0.444 244 H N 1.014 120.020 119.070 -0.106 0.000 2.353 244 H HA -0.089 4.466 4.556 -0.001 0.000 0.300 244 H C 1.727 176.937 175.328 -0.196 0.000 1.090 244 H CA 1.557 57.501 56.048 -0.175 0.000 1.327 244 H CB -0.121 29.487 29.762 -0.258 0.000 1.383 244 H HN 0.108 nan 8.280 nan 0.000 0.508 245 L N -1.186 119.799 121.223 -0.397 0.000 2.023 245 L HA -0.126 4.214 4.340 -0.001 0.000 0.205 245 L C 1.292 177.748 176.870 -0.690 0.000 1.073 245 L CA 1.260 55.720 54.840 -0.632 0.000 0.745 245 L CB -0.342 41.196 42.059 -0.870 0.000 0.900 245 L HN 0.317 nan 8.230 nan 0.000 0.435 246 Y N -0.324 119.966 120.300 -0.017 0.000 2.584 246 Y HA 0.486 5.035 4.550 -0.001 0.000 0.254 246 Y C 1.063 176.951 175.900 -0.019 0.000 1.177 246 Y CA -0.215 57.876 58.100 -0.015 0.000 1.216 246 Y CB 0.027 38.474 38.460 -0.021 0.000 1.172 246 Y HN 0.203 nan 8.280 nan 0.000 0.529 247 G N 0.934 109.762 108.800 0.046 0.000 2.733 247 G HA2 0.096 4.056 3.960 -0.001 0.000 0.686 247 G HA3 0.096 4.056 3.960 -0.001 0.000 0.686 247 G C -0.268 174.637 174.900 0.008 0.000 1.373 247 G CA -0.789 44.333 45.100 0.038 0.000 0.838 247 G HN 0.608 nan 8.290 nan 0.000 0.588 248 A N 0.613 123.422 122.820 -0.018 0.000 2.388 248 A HA 0.631 4.951 4.320 -0.001 0.000 0.257 248 A C 0.698 178.306 177.584 0.041 0.000 1.095 248 A CA 0.332 52.297 52.037 -0.120 0.000 0.791 248 A CB 0.439 19.411 19.000 -0.046 0.000 1.029 248 A HN 1.209 nan 8.150 nan 0.000 0.489 249 N N 2.006 120.730 118.700 0.040 0.000 2.439 249 N HA 0.245 4.984 4.740 -0.001 0.000 0.243 249 N C 0.129 175.933 175.510 0.489 0.000 1.088 249 N CA -0.643 52.545 53.050 0.230 0.000 0.940 249 N CB 0.172 38.779 38.487 0.201 0.000 1.180 249 N HN 0.493 nan 8.380 nan 0.000 0.505 250 L N 2.274 123.694 121.223 0.327 0.000 2.599 250 L HA 0.097 4.437 4.340 -0.001 0.000 0.230 250 L C 1.665 178.647 176.870 0.188 0.000 1.141 250 L CA 0.942 55.948 54.840 0.277 0.000 0.877 250 L CB -0.169 42.005 42.059 0.191 0.000 1.009 250 L HN 0.520 nan 8.230 nan 0.000 0.447 251 S N -1.846 113.968 115.700 0.190 0.000 2.535 251 S HA 0.095 4.565 4.470 -0.001 0.000 0.214 251 S C 0.833 175.511 174.600 0.131 0.000 0.980 251 S CA -0.000 58.277 58.200 0.129 0.000 0.907 251 S CB 0.102 63.368 63.200 0.111 0.000 0.790 251 S HN 0.353 nan 8.310 nan 0.000 0.510 252 T N 3.012 117.686 114.554 0.199 0.000 2.814 252 T HA 0.247 4.597 4.350 -0.001 0.000 0.297 252 T C 0.272 175.011 174.700 0.067 0.000 0.956 252 T CA -0.222 61.987 62.100 0.181 0.000 1.123 252 T CB 0.250 69.335 68.868 0.363 0.000 0.902 252 T HN 0.267 nan 8.240 nan 0.000 0.528 253 R N 1.285 121.813 120.500 0.046 0.000 3.158 253 R HA -0.181 4.158 4.340 -0.001 0.000 0.244 253 R C 1.344 177.631 176.300 -0.021 0.000 0.900 253 R CA 0.734 56.833 56.100 -0.002 0.000 0.618 253 R CB -2.024 28.276 30.300 -0.000 0.000 1.061 253 R HN 0.941 nan 8.270 nan 0.000 0.471 254 T N -3.519 111.029 114.554 -0.010 0.000 3.118 254 T HA 0.085 4.434 4.350 -0.001 0.000 0.260 254 T C 1.246 175.934 174.700 -0.021 0.000 1.139 254 T CA 0.468 62.557 62.100 -0.018 0.000 1.085 254 T CB 0.461 69.329 68.868 0.001 0.000 0.934 254 T HN 0.487 nan 8.240 nan 0.000 0.518 255 G N 0.589 109.375 108.800 -0.024 0.000 2.531 255 G HA2 0.442 4.402 3.960 -0.001 0.000 0.281 255 G HA3 0.442 4.402 3.960 -0.001 0.000 0.281 255 G C -1.073 173.808 174.900 -0.031 0.000 1.382 255 G CA -0.777 44.307 45.100 -0.027 0.000 1.045 255 G HN 0.217 nan 8.290 nan 0.000 0.533 256 D N 0.892 121.272 120.400 -0.033 0.000 2.338 256 D HA 0.353 4.992 4.640 -0.001 0.000 0.255 256 D C 0.099 176.369 176.300 -0.050 0.000 1.237 256 D CA 0.555 54.537 54.000 -0.030 0.000 0.883 256 D CB 0.717 41.501 40.800 -0.026 0.000 1.087 256 D HN 0.116 nan 8.370 nan 0.000 0.485 257 T N 0.975 115.505 114.554 -0.040 0.000 2.823 257 T HA 0.484 4.833 4.350 -0.001 0.000 0.279 257 T C 0.148 174.783 174.700 -0.108 0.000 0.998 257 T CA -0.774 61.247 62.100 -0.132 0.000 0.994 257 T CB 1.768 70.508 68.868 -0.213 0.000 0.960 257 T HN -0.053 nan 8.240 nan 0.000 0.448 258 V N 3.381 123.169 119.914 -0.210 0.000 2.417 258 V HA 0.438 4.557 4.120 -0.001 0.000 0.291 258 V C -1.192 174.736 176.094 -0.276 0.000 1.024 258 V CA -0.905 61.333 62.300 -0.103 0.000 0.861 258 V CB 0.632 32.415 31.823 -0.067 0.000 0.985 258 V HN 0.800 nan 8.190 nan 0.000 0.436 259 Y N 2.813 123.113 120.300 0.000 0.000 2.377 259 Y HA 0.779 5.329 4.550 -0.001 0.000 0.339 259 Y C 0.984 176.870 175.900 -0.024 0.000 1.011 259 Y CA 0.792 58.860 58.100 -0.053 0.000 1.093 259 Y CB 1.914 40.401 38.460 0.045 0.000 1.201 259 Y HN 0.952 nan 8.280 nan 0.000 0.455 260 G N 1.771 110.660 108.800 0.150 0.000 2.754 260 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.241 260 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.241 260 G C -0.674 174.194 174.900 -0.053 0.000 1.281 260 G CA -0.732 44.502 45.100 0.223 0.000 0.971 260 G HN 0.413 nan 8.290 nan 0.000 0.569 261 F N 2.628 122.604 119.950 0.044 0.000 2.410 261 F HA 0.442 4.968 4.527 -0.001 0.000 0.334 261 F C 1.498 177.265 175.800 -0.054 0.000 1.134 261 F CA 1.046 59.022 58.000 -0.040 0.000 1.227 261 F CB 0.528 39.485 39.000 -0.071 0.000 1.194 261 F HN 0.640 nan 8.300 nan 0.000 0.571 262 N N -0.135 118.626 118.700 0.102 0.000 2.727 262 N HA -0.235 4.505 4.740 -0.001 0.000 0.249 262 N C -0.504 174.984 175.510 -0.037 0.000 1.048 262 N CA 0.481 53.545 53.050 0.023 0.000 0.714 262 N CB -1.030 37.473 38.487 0.026 0.000 0.959 262 N HN 0.419 nan 8.380 nan 0.000 0.544 263 S N 0.568 116.222 115.700 -0.076 0.000 2.564 263 S HA 0.249 4.718 4.470 -0.001 0.000 0.278 263 S C 1.087 175.593 174.600 -0.157 0.000 1.333 263 S CA -0.374 57.737 58.200 -0.148 0.000 1.048 263 S CB 0.438 63.520 63.200 -0.198 0.000 0.900 263 S HN 0.498 nan 8.310 nan 0.000 0.505 264 N N 1.762 120.342 118.700 -0.199 0.000 2.235 264 N HA 0.013 4.753 4.740 -0.001 0.000 0.231 264 N C 1.000 176.381 175.510 -0.215 0.000 1.177 264 N CA 0.359 53.307 53.050 -0.170 0.000 0.874 264 N CB -0.423 37.983 38.487 -0.134 0.000 1.097 264 N HN 0.589 nan 8.380 nan 0.000 0.518 265 T N -3.407 110.969 114.554 -0.296 0.000 2.904 265 T HA 0.138 4.488 4.350 -0.001 0.000 0.267 265 T C 1.581 176.141 174.700 -0.233 0.000 1.059 265 T CA 1.116 63.021 62.100 -0.324 0.000 1.137 265 T CB -0.811 67.777 68.868 -0.465 0.000 0.879 265 T HN 0.435 nan 8.240 nan 0.000 0.467 266 G N 1.785 110.460 108.800 -0.208 0.000 2.176 266 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.252 266 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.252 266 G C -0.076 174.710 174.900 -0.190 0.000 1.024 266 G CA -0.176 44.831 45.100 -0.155 0.000 0.755 266 G HN 0.658 nan 8.290 nan 0.000 0.507 267 R N 0.212 120.526 120.500 -0.309 0.000 2.480 267 R HA 0.334 4.673 4.340 -0.001 0.000 0.306 267 R C 1.003 177.029 176.300 -0.456 0.000 0.958 267 R CA -0.196 55.617 56.100 -0.478 0.000 0.861 267 R CB 1.405 31.162 30.300 -0.905 0.000 1.171 267 R HN 0.332 nan 8.270 nan 0.000 0.445 268 D N 2.948 123.190 120.400 -0.263 0.000 2.117 268 D HA -0.208 4.431 4.640 -0.001 0.000 0.197 268 D C 1.380 177.614 176.300 -0.109 0.000 0.987 268 D CA 1.452 55.379 54.000 -0.122 0.000 0.829 268 D CB -0.317 40.486 40.800 0.004 0.000 0.961 268 D HN 0.576 nan 8.370 nan 0.000 0.460 269 F N -0.332 119.600 119.950 -0.030 0.000 2.748 269 F HA 0.282 4.808 4.527 -0.001 0.000 0.299 269 F C 1.750 177.548 175.800 -0.004 0.000 1.154 269 F CA 0.055 58.058 58.000 0.006 0.000 1.446 269 F CB -0.436 38.579 39.000 0.025 0.000 1.112 269 F HN -0.107 nan 8.300 nan 0.000 0.584 270 L N -0.265 120.629 121.223 -0.549 0.000 2.693 270 L HA 0.317 4.657 4.340 -0.001 0.000 0.235 270 L C 0.018 176.706 176.870 -0.302 0.000 1.127 270 L CA -0.114 54.393 54.840 -0.556 0.000 0.914 270 L CB -0.011 41.638 42.059 -0.683 0.000 1.193 270 L HN 0.004 nan 8.230 nan 0.000 0.502 271 S N -0.966 114.602 115.700 -0.220 0.000 2.568 271 S HA 0.670 5.139 4.470 -0.001 0.000 0.293 271 S C -0.349 174.141 174.600 -0.183 0.000 1.089 271 S CA -0.517 57.570 58.200 -0.188 0.000 0.945 271 S CB 2.763 65.840 63.200 -0.205 0.000 1.077 271 S HN 0.052 nan 8.310 nan 0.000 0.485 272 T N -0.138 114.224 114.554 -0.319 0.000 2.923 272 T HA 0.580 4.929 4.350 -0.001 0.000 0.311 272 T C 0.105 174.482 174.700 -0.538 0.000 1.183 272 T CA -0.282 61.543 62.100 -0.458 0.000 1.020 272 T CB 1.453 69.932 68.868 -0.649 0.000 1.165 272 T HN 0.733 nan 8.240 nan 0.000 0.482 273 T N -0.312 114.058 114.554 -0.306 0.000 3.043 273 T HA 0.489 4.838 4.350 -0.001 0.000 0.272 273 T C 0.387 175.125 174.700 0.063 0.000 0.990 273 T CA 0.383 62.429 62.100 -0.091 0.000 0.897 273 T CB -0.274 68.570 68.868 -0.039 0.000 1.111 273 T HN 1.061 nan 8.240 nan 0.000 0.529 274 S N 0.039 115.764 115.700 0.043 0.000 2.578 274 S HA 0.389 4.858 4.470 -0.001 0.000 0.272 274 S C 0.224 174.954 174.600 0.218 0.000 1.145 274 S CA -0.514 57.804 58.200 0.197 0.000 0.835 274 S CB 1.037 64.297 63.200 0.100 0.000 1.104 274 S HN -0.046 nan 8.310 nan 0.000 0.458 275 N N 1.458 120.300 118.700 0.238 0.000 2.192 275 N HA -0.105 4.635 4.740 -0.001 0.000 0.188 275 N C 1.515 177.234 175.510 0.347 0.000 1.013 275 N CA 2.232 55.468 53.050 0.309 0.000 0.863 275 N CB -0.365 38.238 38.487 0.193 0.000 0.990 275 N HN 0.535 nan 8.380 nan 0.000 0.430 276 S N -0.733 115.089 115.700 0.203 0.000 2.414 276 S HA -0.059 4.410 4.470 -0.001 0.000 0.227 276 S C 0.607 175.285 174.600 0.128 0.000 1.022 276 S CA 0.080 58.371 58.200 0.151 0.000 0.958 276 S CB -0.129 63.129 63.200 0.097 0.000 0.797 276 S HN 0.518 nan 8.310 nan 0.000 0.493 277 Q N 2.269 122.133 119.800 0.107 0.000 2.344 277 Q HA 0.080 4.420 4.340 -0.001 0.000 0.253 277 Q C -1.011 175.034 176.000 0.075 0.000 1.050 277 Q CA -0.314 55.504 55.803 0.026 0.000 0.912 277 Q CB 0.310 29.033 28.738 -0.025 0.000 1.258 277 Q HN -0.031 nan 8.270 nan 0.000 0.443 278 K N 2.726 123.095 120.400 -0.051 0.000 2.218 278 K HA 0.256 4.575 4.320 -0.001 0.000 0.276 278 K C -0.206 176.334 176.600 -0.101 0.000 1.022 278 K CA -0.371 55.857 56.287 -0.099 0.000 0.946 278 K CB 1.301 33.652 32.500 -0.248 0.000 1.000 278 K HN 0.531 nan 8.250 nan 0.000 0.468 279 V N 0.051 119.936 119.914 -0.049 0.000 2.547 279 V HA 0.672 4.791 4.120 -0.001 0.000 0.299 279 V C -0.032 175.995 176.094 -0.112 0.000 1.040 279 V CA -0.878 61.438 62.300 0.028 0.000 0.913 279 V CB 1.167 33.128 31.823 0.231 0.000 0.992 279 V HN 0.613 nan 8.190 nan 0.000 0.449 280 I N 6.003 126.582 120.570 0.014 0.000 2.529 280 I HA 0.716 4.885 4.170 -0.001 0.000 0.284 280 I C -0.969 175.240 176.117 0.154 0.000 1.088 280 I CA -0.174 61.097 61.300 -0.048 0.000 1.062 280 I CB 1.626 39.616 38.000 -0.017 0.000 1.218 280 I HN 0.895 nan 8.210 nan 0.000 0.442 281 F N 4.251 124.223 119.950 0.036 0.000 2.770 281 F HA 0.880 5.407 4.527 -0.001 0.000 0.313 281 F C -1.482 174.350 175.800 0.054 0.000 1.154 281 F CA -1.335 56.722 58.000 0.094 0.000 0.923 281 F CB 1.143 40.272 39.000 0.214 0.000 1.301 281 F HN 0.324 nan 8.300 nan 0.000 0.449 282 A N 1.640 124.703 122.820 0.405 0.000 2.273 282 A HA 0.855 5.174 4.320 -0.001 0.000 0.315 282 A C -0.465 177.370 177.584 0.419 0.000 1.256 282 A CA -0.341 51.858 52.037 0.271 0.000 0.851 282 A CB 0.341 19.423 19.000 0.137 0.000 1.172 282 A HN 1.712 nan 8.150 nan 0.000 0.508 283 A N 3.407 126.486 122.820 0.431 0.000 2.404 283 A HA 0.493 4.813 4.320 -0.001 0.000 0.273 283 A C -0.318 177.432 177.584 0.276 0.000 1.144 283 A CA -0.245 51.967 52.037 0.293 0.000 0.806 283 A CB 0.077 19.185 19.000 0.181 0.000 1.080 283 A HN 1.073 nan 8.150 nan 0.000 0.509 284 W N 4.183 125.567 121.300 0.141 0.000 2.532 284 W HA 0.528 5.187 4.660 -0.001 0.000 0.321 284 W C -1.710 174.902 176.519 0.154 0.000 1.037 284 W CA -0.405 57.019 57.345 0.132 0.000 1.220 284 W CB 1.464 31.009 29.460 0.141 0.000 1.361 284 W HN 0.695 nan 8.180 nan 0.000 0.468 285 D N 3.897 123.799 120.400 -0.830 0.000 2.966 285 D HA 0.357 4.997 4.640 -0.001 0.000 0.222 285 D C -0.201 175.634 176.300 -0.776 0.000 1.292 285 D CA -0.183 53.487 54.000 -0.550 0.000 0.907 285 D CB 2.401 43.109 40.800 -0.154 0.000 1.621 285 D HN 0.438 nan 8.370 nan 0.000 0.557 286 A N 1.992 124.511 122.820 -0.502 0.000 2.275 286 A HA 0.603 4.922 4.320 -0.001 0.000 0.212 286 A C 0.868 178.356 177.584 -0.160 0.000 1.201 286 A CA 0.849 52.692 52.037 -0.323 0.000 0.843 286 A CB 0.194 19.141 19.000 -0.089 0.000 0.873 286 A HN 0.635 nan 8.150 nan 0.000 0.492 287 G N -3.317 105.406 108.800 -0.128 0.000 2.328 287 G HA2 0.600 4.560 3.960 -0.001 0.000 0.295 287 G HA3 0.600 4.560 3.960 -0.001 0.000 0.295 287 G C -0.064 174.805 174.900 -0.052 0.000 1.413 287 G CA 0.180 45.237 45.100 -0.072 0.000 0.817 287 G HN 1.897 nan 8.290 nan 0.000 0.546 288 G N -0.798 107.980 108.800 -0.036 0.000 2.655 288 G HA2 0.063 4.022 3.960 -0.001 0.000 0.680 288 G HA3 0.063 4.022 3.960 -0.001 0.000 0.680 288 G C -0.648 174.237 174.900 -0.024 0.000 1.302 288 G CA -0.158 44.926 45.100 -0.026 0.000 0.872 288 G HN 1.191 nan 8.290 nan 0.000 0.540 289 N N 1.601 120.291 118.700 -0.017 0.000 2.457 289 N HA 0.490 5.230 4.740 -0.001 0.000 0.250 289 N C -1.123 174.384 175.510 -0.005 0.000 0.982 289 N CA -0.679 52.363 53.050 -0.014 0.000 0.941 289 N CB 1.178 39.660 38.487 -0.009 0.000 1.120 289 N HN 0.515 nan 8.380 nan 0.000 0.505 290 D N 1.264 121.662 120.400 -0.003 0.000 2.340 290 D HA 0.418 5.057 4.640 -0.001 0.000 0.240 290 D C -0.455 175.861 176.300 0.026 0.000 1.001 290 D CA -0.280 53.745 54.000 0.042 0.000 0.888 290 D CB 2.070 42.935 40.800 0.108 0.000 1.310 290 D HN 0.244 nan 8.370 nan 0.000 0.474 291 T N 0.727 115.347 114.554 0.111 0.000 2.881 291 T HA 0.311 4.660 4.350 -0.001 0.000 0.290 291 T C -0.610 174.260 174.700 0.283 0.000 1.000 291 T CA -0.567 61.598 62.100 0.108 0.000 0.978 291 T CB 0.873 69.772 68.868 0.053 0.000 0.997 291 T HN 0.103 nan 8.240 nan 0.000 0.443 292 F N 3.242 123.133 119.950 -0.097 0.000 2.368 292 F HA 0.301 4.828 4.527 -0.001 0.000 0.362 292 F C 0.580 176.036 175.800 -0.574 0.000 1.137 292 F CA -1.697 56.061 58.000 -0.404 0.000 1.161 292 F CB 0.409 39.172 39.000 -0.396 0.000 1.265 292 F HN 0.476 nan 8.300 nan 0.000 0.530 293 D N 4.227 124.436 120.400 -0.318 0.000 2.456 293 D HA 0.159 4.799 4.640 -0.001 0.000 0.219 293 D C -0.493 175.817 176.300 0.016 0.000 1.126 293 D CA -0.160 53.770 54.000 -0.116 0.000 0.890 293 D CB 0.085 40.906 40.800 0.035 0.000 1.025 293 D HN 0.116 nan 8.370 nan 0.000 0.511 294 F N 1.443 121.564 119.950 0.286 0.000 2.855 294 F HA 0.099 4.625 4.527 -0.001 0.000 0.317 294 F C 2.154 178.012 175.800 0.097 0.000 1.169 294 F CA -0.589 57.635 58.000 0.372 0.000 1.299 294 F CB -0.225 39.006 39.000 0.386 0.000 0.962 294 F HN 0.252 nan 8.300 nan 0.000 0.506 295 S N -0.933 114.775 115.700 0.012 0.000 2.423 295 S HA -0.076 4.393 4.470 -0.001 0.000 0.231 295 S C 2.177 176.488 174.600 -0.481 0.000 1.014 295 S CA 1.126 59.213 58.200 -0.189 0.000 0.965 295 S CB -0.608 62.489 63.200 -0.172 0.000 0.785 295 S HN 0.395 nan 8.310 nan 0.000 0.495 296 G N -0.508 107.532 108.800 -1.267 0.000 2.920 296 G HA2 0.210 4.169 3.960 -0.001 0.000 0.208 296 G HA3 0.210 4.169 3.960 -0.001 0.000 0.208 296 G C -0.208 174.266 174.900 -0.709 0.000 1.159 296 G CA -0.162 44.004 45.100 -1.557 0.000 0.784 296 G HN 0.470 nan 8.290 nan 0.000 0.535 297 Y N 0.236 120.440 120.300 -0.160 0.000 2.334 297 Y HA 0.368 4.917 4.550 -0.001 0.000 0.328 297 Y C 1.722 177.617 175.900 -0.008 0.000 1.130 297 Y CA -0.637 57.487 58.100 0.040 0.000 1.163 297 Y CB 1.900 40.437 38.460 0.130 0.000 1.207 297 Y HN 0.045 nan 8.280 nan 0.000 0.471 298 T N -1.580 113.087 114.554 0.187 0.000 3.037 298 T HA 0.445 4.794 4.350 -0.001 0.000 0.251 298 T C 0.836 175.575 174.700 0.065 0.000 1.079 298 T CA 0.244 62.397 62.100 0.087 0.000 1.067 298 T CB -0.130 68.775 68.868 0.062 0.000 0.948 298 T HN 0.582 nan 8.240 nan 0.000 0.496 299 A N 1.698 124.556 122.820 0.065 0.000 2.296 299 A HA 0.428 4.748 4.320 -0.001 0.000 0.264 299 A C 0.134 177.721 177.584 0.005 0.000 1.097 299 A CA -0.705 51.337 52.037 0.008 0.000 0.811 299 A CB -0.126 18.848 19.000 -0.043 0.000 1.072 299 A HN 0.590 nan 8.150 nan 0.000 0.495 300 N N 0.827 119.517 118.700 -0.016 0.000 2.420 300 N HA 0.203 4.942 4.740 -0.001 0.000 0.262 300 N C -0.506 174.984 175.510 -0.034 0.000 1.144 300 N CA 0.104 53.143 53.050 -0.019 0.000 0.952 300 N CB 0.460 38.928 38.487 -0.030 0.000 1.081 300 N HN 0.598 nan 8.380 nan 0.000 0.480 301 Q N 1.949 121.742 119.800 -0.013 0.000 2.297 301 Q HA 0.527 4.866 4.340 -0.001 0.000 0.269 301 Q C -0.569 175.426 176.000 -0.009 0.000 1.051 301 Q CA -0.783 55.005 55.803 -0.024 0.000 0.869 301 Q CB 2.263 31.014 28.738 0.021 0.000 1.346 301 Q HN 0.375 nan 8.270 nan 0.000 0.457 302 R N 1.233 121.724 120.500 -0.015 0.000 2.473 302 R HA 0.500 4.840 4.340 -0.001 0.000 0.303 302 R C -1.113 175.228 176.300 0.069 0.000 1.002 302 R CA -0.382 55.713 56.100 -0.007 0.000 0.884 302 R CB 1.038 31.280 30.300 -0.096 0.000 1.173 302 R HN 0.518 nan 8.270 nan 0.000 0.464 303 I N 2.007 122.654 120.570 0.129 0.000 2.389 303 I HA 0.279 4.449 4.170 -0.001 0.000 0.288 303 I C -0.261 175.973 176.117 0.196 0.000 0.999 303 I CA -0.460 60.980 61.300 0.234 0.000 1.129 303 I CB 1.788 40.004 38.000 0.360 0.000 1.288 303 I HN 0.484 nan 8.210 nan 0.000 0.444 304 N N 6.224 125.049 118.700 0.208 0.000 2.443 304 N HA 0.411 5.150 4.740 -0.001 0.000 0.269 304 N C 0.238 175.832 175.510 0.139 0.000 0.985 304 N CA -0.558 52.585 53.050 0.154 0.000 0.921 304 N CB 1.197 39.773 38.487 0.147 0.000 1.195 304 N HN 0.645 nan 8.380 nan 0.000 0.492 305 L N 1.981 123.252 121.223 0.079 0.000 2.611 305 L HA 0.184 4.523 4.340 -0.001 0.000 0.229 305 L C 0.021 176.876 176.870 -0.024 0.000 1.137 305 L CA 0.015 54.840 54.840 -0.025 0.000 0.901 305 L CB -0.526 41.495 42.059 -0.064 0.000 1.098 305 L HN 0.550 nan 8.230 nan 0.000 0.456 306 N N 0.581 119.297 118.700 0.026 0.000 2.503 306 N HA 0.065 4.804 4.740 -0.001 0.000 0.267 306 N C 0.076 175.595 175.510 0.014 0.000 1.214 306 N CA -0.267 52.798 53.050 0.025 0.000 0.959 306 N CB 0.641 39.156 38.487 0.046 0.000 1.142 306 N HN 0.066 nan 8.380 nan 0.000 0.455 307 E N 1.325 121.533 120.200 0.013 0.000 2.452 307 E HA -0.122 4.228 4.350 -0.001 0.000 0.261 307 E C -0.208 176.410 176.600 0.030 0.000 0.987 307 E CA 0.606 57.018 56.400 0.020 0.000 0.926 307 E CB 0.263 29.985 29.700 0.037 0.000 0.934 307 E HN 0.455 nan 8.360 nan 0.000 0.452 308 K N -0.039 120.370 120.400 0.015 0.000 3.407 308 K HA -0.213 4.106 4.320 -0.001 0.000 0.312 308 K C -0.298 176.272 176.600 -0.051 0.000 1.302 308 K CA 0.927 57.212 56.287 -0.004 0.000 0.931 308 K CB -1.543 30.998 32.500 0.068 0.000 1.257 308 K HN 0.546 nan 8.250 nan 0.000 0.454 309 S N -0.454 115.212 115.700 -0.057 0.000 2.651 309 S HA 0.732 5.201 4.470 -0.001 0.000 0.291 309 S C -0.142 174.361 174.600 -0.162 0.000 1.141 309 S CA -0.989 57.212 58.200 0.002 0.000 1.027 309 S CB 1.066 64.326 63.200 0.099 0.000 1.043 309 S HN 0.122 nan 8.310 nan 0.000 0.530 310 F N 1.052 121.065 119.950 0.106 0.000 2.422 310 F HA 0.601 5.128 4.527 -0.001 0.000 0.333 310 F C 0.838 176.764 175.800 0.210 0.000 1.095 310 F CA -0.179 57.864 58.000 0.072 0.000 1.038 310 F CB 2.077 41.022 39.000 -0.092 0.000 1.156 310 F HN 0.613 nan 8.300 nan 0.000 0.483 311 S N 1.030 116.910 115.700 0.300 0.000 2.600 311 S HA 0.436 4.905 4.470 -0.001 0.000 0.300 311 S C -1.548 173.126 174.600 0.123 0.000 1.087 311 S CA -0.944 57.378 58.200 0.203 0.000 0.965 311 S CB 1.554 64.838 63.200 0.139 0.000 1.089 311 S HN 0.366 nan 8.310 nan 0.000 0.496 312 D N 2.007 122.432 120.400 0.042 0.000 2.454 312 D HA 0.491 5.130 4.640 -0.001 0.000 0.225 312 D C -0.895 175.299 176.300 -0.175 0.000 1.081 312 D CA -0.029 53.945 54.000 -0.044 0.000 0.864 312 D CB 1.338 42.110 40.800 -0.046 0.000 1.040 312 D HN 0.101 nan 8.370 nan 0.000 0.517 313 V N 0.408 120.130 119.914 -0.321 0.000 2.823 313 V HA 0.606 4.726 4.120 -0.001 0.000 0.312 313 V C 1.164 176.867 176.094 -0.650 0.000 1.072 313 V CA -0.625 61.354 62.300 -0.535 0.000 0.937 313 V CB 1.930 33.210 31.823 -0.905 0.000 1.013 313 V HN 0.775 nan 8.190 nan 0.000 0.430 314 G N 2.510 110.782 108.800 -0.880 0.000 2.233 314 G HA2 0.027 3.986 3.960 -0.001 0.000 0.270 314 G HA3 0.027 3.986 3.960 -0.001 0.000 0.270 314 G C 1.174 175.730 174.900 -0.573 0.000 1.011 314 G CA 1.027 45.311 45.100 -1.359 0.000 0.762 314 G HN 2.426 nan 8.290 nan 0.000 0.511 315 G N -2.214 106.384 108.800 -0.336 0.000 2.176 315 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.232 315 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.232 315 G C 0.396 175.201 174.900 -0.160 0.000 0.986 315 G CA 0.511 45.500 45.100 -0.186 0.000 0.643 315 G HN 1.202 nan 8.290 nan 0.000 0.522 316 L N -0.611 120.490 121.223 -0.204 0.000 2.376 316 L HA 0.699 5.038 4.340 -0.001 0.000 0.267 316 L C 0.437 177.237 176.870 -0.116 0.000 1.035 316 L CA -0.949 53.802 54.840 -0.148 0.000 0.800 316 L CB 1.355 43.313 42.059 -0.168 0.000 1.290 316 L HN -0.034 nan 8.230 nan 0.000 0.462 317 K N -0.060 120.295 120.400 -0.074 0.000 2.413 317 K HA 0.404 4.724 4.320 -0.001 0.000 0.257 317 K C 0.116 176.714 176.600 -0.003 0.000 0.946 317 K CA -0.291 55.993 56.287 -0.004 0.000 0.823 317 K CB 1.718 34.236 32.500 0.030 0.000 1.109 317 K HN 0.835 nan 8.250 nan 0.000 0.427 318 G N 2.855 111.706 108.800 0.085 0.000 2.323 318 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.292 318 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.292 318 G C 0.197 175.087 174.900 -0.016 0.000 1.040 318 G CA 0.957 46.077 45.100 0.033 0.000 0.942 318 G HN 0.930 nan 8.290 nan 0.000 0.506 319 N N -2.125 116.544 118.700 -0.052 0.000 2.299 319 N HA 0.335 5.074 4.740 -0.001 0.000 0.187 319 N C 0.289 175.659 175.510 -0.233 0.000 1.099 319 N CA 0.142 53.113 53.050 -0.131 0.000 0.867 319 N CB 0.911 39.283 38.487 -0.192 0.000 0.974 319 N HN 0.287 nan 8.380 nan 0.000 0.477 320 V N 0.898 120.661 119.914 -0.251 0.000 2.656 320 V HA 0.600 4.719 4.120 -0.001 0.000 0.307 320 V C -0.582 175.366 176.094 -0.243 0.000 1.051 320 V CA -0.665 61.348 62.300 -0.478 0.000 0.893 320 V CB 1.688 33.080 31.823 -0.717 0.000 0.999 320 V HN 0.463 nan 8.190 nan 0.000 0.426 321 S N 4.604 120.155 115.700 -0.248 0.000 2.671 321 S HA 0.798 5.268 4.470 -0.001 0.000 0.277 321 S C -1.156 173.427 174.600 -0.029 0.000 1.165 321 S CA -0.862 57.140 58.200 -0.330 0.000 0.822 321 S CB 2.028 64.672 63.200 -0.928 0.000 1.150 321 S HN 0.434 nan 8.310 nan 0.000 0.479 322 I N 1.392 121.931 120.570 -0.052 0.000 2.436 322 I HA 0.602 4.771 4.170 -0.001 0.000 0.289 322 I C 0.586 176.734 176.117 0.052 0.000 1.010 322 I CA -0.913 60.423 61.300 0.060 0.000 1.098 322 I CB 1.706 39.721 38.000 0.025 0.000 1.266 322 I HN 0.981 nan 8.210 nan 0.000 0.434 323 A N 4.682 127.591 122.820 0.149 0.000 2.429 323 A HA 0.595 4.915 4.320 -0.001 0.000 0.242 323 A C 0.574 178.274 177.584 0.193 0.000 1.088 323 A CA -0.142 52.025 52.037 0.216 0.000 0.784 323 A CB 0.237 19.488 19.000 0.419 0.000 1.038 323 A HN 0.851 nan 8.150 nan 0.000 0.501 324 A N -0.171 122.767 122.820 0.196 0.000 2.511 324 A HA 0.485 4.804 4.320 -0.001 0.000 0.242 324 A C 1.574 179.292 177.584 0.223 0.000 1.069 324 A CA 0.755 52.891 52.037 0.165 0.000 0.763 324 A CB -0.862 18.223 19.000 0.141 0.000 1.001 324 A HN 2.767 nan 8.150 nan 0.000 0.498 325 G N 0.722 109.611 108.800 0.148 0.000 2.159 325 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.256 325 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.256 325 G C 0.078 175.000 174.900 0.038 0.000 0.977 325 G CA 0.218 45.399 45.100 0.135 0.000 0.652 325 G HN 1.474 nan 8.290 nan 0.000 0.531 326 V N 0.833 120.743 119.914 -0.007 0.000 2.513 326 V HA 0.701 4.820 4.120 -0.001 0.000 0.299 326 V C 0.324 176.353 176.094 -0.108 0.000 1.035 326 V CA -0.203 62.014 62.300 -0.138 0.000 0.889 326 V CB 1.940 33.671 31.823 -0.154 0.000 0.988 326 V HN 0.243 nan 8.190 nan 0.000 0.440 327 T N 6.118 120.595 114.554 -0.129 0.000 2.772 327 T HA 0.539 4.889 4.350 -0.001 0.000 0.288 327 T C -0.383 174.224 174.700 -0.154 0.000 0.994 327 T CA -0.249 61.786 62.100 -0.109 0.000 0.951 327 T CB 0.543 69.369 68.868 -0.071 0.000 0.933 327 T HN 0.260 nan 8.240 nan 0.000 0.447 328 I N 3.748 124.190 120.570 -0.213 0.000 2.336 328 I HA 0.348 4.517 4.170 -0.001 0.000 0.292 328 I C 0.862 176.850 176.117 -0.215 0.000 0.991 328 I CA -0.668 60.444 61.300 -0.314 0.000 1.227 328 I CB 1.656 39.239 38.000 -0.694 0.000 1.366 328 I HN 0.612 nan 8.210 nan 0.000 0.466 329 E N 3.835 123.949 120.200 -0.142 0.000 2.166 329 E HA 0.062 4.412 4.350 -0.001 0.000 0.192 329 E C -0.184 176.388 176.600 -0.047 0.000 0.967 329 E CA 0.791 57.146 56.400 -0.075 0.000 0.840 329 E CB 0.154 29.832 29.700 -0.035 0.000 0.795 329 E HN 0.626 nan 8.360 nan 0.000 0.470 330 N N -0.424 118.247 118.700 -0.049 0.000 2.292 330 N HA 0.699 5.439 4.740 -0.001 0.000 0.303 330 N C -1.382 174.132 175.510 0.008 0.000 1.140 330 N CA -0.682 52.369 53.050 0.002 0.000 0.788 330 N CB 2.260 40.759 38.487 0.019 0.000 1.361 330 N HN 0.043 nan 8.380 nan 0.000 0.489 331 A N 1.108 123.963 122.820 0.058 0.000 2.455 331 A HA 0.672 4.992 4.320 -0.001 0.000 0.300 331 A C -1.302 176.340 177.584 0.097 0.000 1.040 331 A CA -0.515 51.580 52.037 0.096 0.000 0.697 331 A CB 0.708 19.800 19.000 0.153 0.000 1.265 331 A HN 0.633 nan 8.150 nan 0.000 0.407 332 I N 2.492 123.108 120.570 0.078 0.000 2.436 332 I HA 0.518 4.687 4.170 -0.001 0.000 0.289 332 I C 0.942 177.143 176.117 0.139 0.000 1.010 332 I CA -0.599 60.747 61.300 0.076 0.000 1.098 332 I CB 2.061 40.072 38.000 0.019 0.000 1.266 332 I HN 0.766 nan 8.210 nan 0.000 0.434 333 G N 3.508 112.390 108.800 0.137 0.000 2.543 333 G HA2 0.643 4.603 3.960 -0.001 0.000 0.290 333 G HA3 0.643 4.603 3.960 -0.001 0.000 0.290 333 G C 0.071 175.042 174.900 0.118 0.000 1.310 333 G CA -0.237 44.964 45.100 0.168 0.000 1.025 333 G HN 0.719 nan 8.290 nan 0.000 0.502 334 G N -1.693 107.178 108.800 0.118 0.000 2.990 334 G HA2 0.409 4.369 3.960 -0.001 0.000 0.208 334 G HA3 0.409 4.369 3.960 -0.001 0.000 0.208 334 G C 1.141 176.061 174.900 0.033 0.000 1.334 334 G CA 0.737 45.871 45.100 0.058 0.000 1.024 334 G HN 1.108 nan 8.290 nan 0.000 0.574 335 S N -1.125 114.584 115.700 0.015 0.000 2.603 335 S HA 0.284 4.753 4.470 -0.001 0.000 0.220 335 S C 1.146 175.755 174.600 0.015 0.000 0.967 335 S CA 0.340 58.545 58.200 0.008 0.000 0.920 335 S CB -0.188 63.008 63.200 -0.007 0.000 0.773 335 S HN 0.841 nan 8.310 nan 0.000 0.529 336 G N 0.971 109.787 108.800 0.027 0.000 2.537 336 G HA2 0.435 4.394 3.960 -0.001 0.000 0.297 336 G HA3 0.435 4.394 3.960 -0.001 0.000 0.297 336 G C -0.724 174.182 174.900 0.010 0.000 1.310 336 G CA -1.267 43.843 45.100 0.017 0.000 1.027 336 G HN 0.475 nan 8.290 nan 0.000 0.505 337 N N 1.151 119.850 118.700 -0.001 0.000 2.439 337 N HA 0.228 4.967 4.740 -0.001 0.000 0.243 337 N C -1.105 174.398 175.510 -0.011 0.000 1.088 337 N CA -0.330 52.713 53.050 -0.011 0.000 0.940 337 N CB 0.914 39.390 38.487 -0.019 0.000 1.180 337 N HN 0.317 nan 8.380 nan 0.000 0.505 338 D N 0.999 121.398 120.400 -0.002 0.000 2.384 338 D HA 0.399 5.039 4.640 -0.001 0.000 0.250 338 D C -0.319 175.976 176.300 -0.007 0.000 1.029 338 D CA -0.405 53.599 54.000 0.007 0.000 0.990 338 D CB 2.068 42.895 40.800 0.045 0.000 1.175 338 D HN -0.003 nan 8.370 nan 0.000 0.532 339 V N 1.442 121.355 119.914 -0.001 0.000 2.483 339 V HA 0.420 4.539 4.120 -0.001 0.000 0.297 339 V C -0.173 175.941 176.094 0.035 0.000 1.027 339 V CA -0.646 61.647 62.300 -0.011 0.000 0.855 339 V CB 1.349 33.140 31.823 -0.053 0.000 0.995 339 V HN 0.345 nan 8.190 nan 0.000 0.424 340 I N 5.184 125.790 120.570 0.059 0.000 2.410 340 I HA 0.529 4.699 4.170 -0.001 0.000 0.286 340 I C -0.723 175.474 176.117 0.133 0.000 1.009 340 I CA -0.803 60.562 61.300 0.108 0.000 1.111 340 I CB 2.073 40.147 38.000 0.123 0.000 1.262 340 I HN 0.254 nan 8.210 nan 0.000 0.443 341 V N 5.261 125.260 119.914 0.142 0.000 2.417 341 V HA 0.629 4.748 4.120 -0.001 0.000 0.291 341 V C 0.707 176.916 176.094 0.191 0.000 1.024 341 V CA -0.349 62.077 62.300 0.209 0.000 0.861 341 V CB 1.596 33.478 31.823 0.099 0.000 0.985 341 V HN 0.894 nan 8.190 nan 0.000 0.436 342 G N 3.990 112.918 108.800 0.214 0.000 2.532 342 G HA2 0.483 4.442 3.960 -0.001 0.000 0.291 342 G HA3 0.483 4.442 3.960 -0.001 0.000 0.291 342 G C -0.324 174.651 174.900 0.126 0.000 1.349 342 G CA -0.643 44.526 45.100 0.116 0.000 1.038 342 G HN 0.800 nan 8.290 nan 0.000 0.518 343 N N -2.408 116.332 118.700 0.066 0.000 3.184 343 N HA 0.458 5.197 4.740 -0.001 0.000 0.353 343 N C 1.008 176.545 175.510 0.045 0.000 1.441 343 N CA -0.177 52.910 53.050 0.061 0.000 0.723 343 N CB 1.438 39.942 38.487 0.028 0.000 1.547 343 N HN 0.430 nan 8.380 nan 0.000 0.624 344 A N -0.672 122.173 122.820 0.041 0.000 2.209 344 A HA 0.296 4.616 4.320 -0.001 0.000 0.212 344 A C 1.063 178.662 177.584 0.025 0.000 1.158 344 A CA 0.637 52.696 52.037 0.036 0.000 0.742 344 A CB -0.861 18.164 19.000 0.042 0.000 0.790 344 A HN 0.727 nan 8.150 nan 0.000 0.472 345 A N -0.001 122.829 122.820 0.017 0.000 2.246 345 A HA 0.463 4.782 4.320 -0.001 0.000 0.291 345 A C 0.082 177.676 177.584 0.018 0.000 1.103 345 A CA -0.661 51.384 52.037 0.013 0.000 0.844 345 A CB 0.002 19.002 19.000 -0.000 0.000 1.136 345 A HN 0.560 nan 8.150 nan 0.000 0.500 346 N N 0.594 119.306 118.700 0.021 0.000 2.475 346 N HA 0.161 4.901 4.740 -0.001 0.000 0.267 346 N C -0.949 174.582 175.510 0.035 0.000 1.169 346 N CA 0.220 53.290 53.050 0.034 0.000 0.947 346 N CB 0.245 38.754 38.487 0.037 0.000 1.061 346 N HN 0.628 nan 8.380 nan 0.000 0.466 347 N N 0.519 119.248 118.700 0.048 0.000 2.272 347 N HA 0.379 5.118 4.740 -0.001 0.000 0.305 347 N C -1.325 174.243 175.510 0.097 0.000 1.103 347 N CA -0.755 52.329 53.050 0.056 0.000 0.791 347 N CB 2.289 40.807 38.487 0.051 0.000 1.356 347 N HN 0.087 nan 8.380 nan 0.000 0.486 348 V N 2.751 122.728 119.914 0.106 0.000 2.328 348 V HA 0.339 4.458 4.120 -0.001 0.000 0.278 348 V C -0.503 175.697 176.094 0.176 0.000 1.021 348 V CA -0.515 61.888 62.300 0.173 0.000 0.838 348 V CB 0.269 32.184 31.823 0.155 0.000 0.999 348 V HN 0.462 nan 8.190 nan 0.000 0.447 349 L N 5.995 127.359 121.223 0.236 0.000 2.305 349 L HA 0.616 4.955 4.340 -0.001 0.000 0.284 349 L C -0.129 176.919 176.870 0.297 0.000 1.013 349 L CA -0.565 54.405 54.840 0.217 0.000 0.819 349 L CB 1.499 43.668 42.059 0.184 0.000 1.227 349 L HN 0.495 nan 8.230 nan 0.000 0.417 350 K N 2.059 122.590 120.400 0.217 0.000 2.450 350 K HA 0.351 4.670 4.320 -0.001 0.000 0.257 350 K C 0.765 177.455 176.600 0.150 0.000 0.953 350 K CA -0.494 55.918 56.287 0.209 0.000 0.844 350 K CB 2.408 34.947 32.500 0.065 0.000 1.103 350 K HN 0.748 nan 8.250 nan 0.000 0.429 351 G N 2.003 110.898 108.800 0.158 0.000 2.394 351 G HA2 0.149 4.108 3.960 -0.001 0.000 0.215 351 G HA3 0.149 4.108 3.960 -0.001 0.000 0.215 351 G C 0.719 175.662 174.900 0.072 0.000 1.165 351 G CA 0.749 45.905 45.100 0.093 0.000 0.784 351 G HN 0.944 nan 8.290 nan 0.000 0.535 352 G N -0.717 108.125 108.800 0.071 0.000 2.681 352 G HA2 0.319 4.278 3.960 -0.001 0.000 0.220 352 G HA3 0.319 4.278 3.960 -0.001 0.000 0.220 352 G C 0.377 175.296 174.900 0.032 0.000 1.353 352 G CA -0.000 45.121 45.100 0.035 0.000 0.872 352 G HN 1.426 nan 8.290 nan 0.000 0.557 353 A N -0.727 122.101 122.820 0.014 0.000 2.346 353 A HA 0.933 5.252 4.320 -0.001 0.000 0.255 353 A C 1.776 179.365 177.584 0.008 0.000 1.113 353 A CA 2.008 54.051 52.037 0.010 0.000 0.798 353 A CB -0.113 18.887 19.000 0.000 0.000 1.073 353 A HN 3.056 nan 8.150 nan 0.000 0.502 354 G N -0.517 108.284 108.800 0.001 0.000 2.707 354 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.686 354 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.686 354 G C -0.679 174.213 174.900 -0.014 0.000 1.315 354 G CA -0.246 44.852 45.100 -0.004 0.000 0.832 354 G HN 1.098 nan 8.290 nan 0.000 0.573 355 N N 1.716 120.403 118.700 -0.022 0.000 2.500 355 N HA 0.414 5.153 4.740 -0.001 0.000 0.236 355 N C -0.903 174.578 175.510 -0.048 0.000 1.022 355 N CA -0.670 52.357 53.050 -0.038 0.000 0.935 355 N CB 0.980 39.447 38.487 -0.033 0.000 1.147 355 N HN 0.479 nan 8.380 nan 0.000 0.512 356 D N 1.097 121.454 120.400 -0.073 0.000 2.326 356 D HA 0.356 4.995 4.640 -0.001 0.000 0.251 356 D C -0.339 175.878 176.300 -0.138 0.000 1.023 356 D CA -0.388 53.562 54.000 -0.082 0.000 0.966 356 D CB 2.427 43.189 40.800 -0.062 0.000 1.156 356 D HN 0.026 nan 8.370 nan 0.000 0.494 357 V N 1.885 121.738 119.914 -0.103 0.000 2.409 357 V HA 0.321 4.440 4.120 -0.001 0.000 0.291 357 V C -0.453 175.596 176.094 -0.076 0.000 1.020 357 V CA -0.653 61.583 62.300 -0.106 0.000 0.848 357 V CB 1.472 33.262 31.823 -0.055 0.000 0.990 357 V HN 0.285 nan 8.190 nan 0.000 0.430 358 L N 5.250 126.405 121.223 -0.113 0.000 2.346 358 L HA 0.644 4.984 4.340 -0.001 0.000 0.276 358 L C -0.893 176.037 176.870 0.099 0.000 1.006 358 L CA -0.183 54.659 54.840 0.003 0.000 0.817 358 L CB 1.768 43.819 42.059 -0.013 0.000 1.272 358 L HN 0.625 nan 8.230 nan 0.000 0.421 359 F N 1.424 121.349 119.950 -0.043 0.000 2.579 359 F HA 0.568 5.095 4.527 -0.001 0.000 0.325 359 F C 0.812 176.594 175.800 -0.029 0.000 1.162 359 F CA -0.540 57.413 58.000 -0.079 0.000 0.946 359 F CB 1.864 40.831 39.000 -0.054 0.000 1.211 359 F HN 0.488 nan 8.300 nan 0.000 0.447 360 G N 3.137 111.646 108.800 -0.485 0.000 2.408 360 G HA2 0.343 4.302 3.960 -0.001 0.000 0.215 360 G HA3 0.343 4.302 3.960 -0.001 0.000 0.215 360 G C 0.879 175.543 174.900 -0.392 0.000 1.156 360 G CA 0.624 45.548 45.100 -0.294 0.000 0.793 360 G HN 1.536 nan 8.290 nan 0.000 0.535 361 G N -0.992 107.308 108.800 -0.833 0.000 2.593 361 G HA2 0.279 4.238 3.960 -0.001 0.000 0.237 361 G HA3 0.279 4.238 3.960 -0.001 0.000 0.237 361 G C 0.633 175.451 174.900 -0.137 0.000 1.312 361 G CA -0.074 44.783 45.100 -0.404 0.000 0.896 361 G HN 1.227 nan 8.290 nan 0.000 0.574 362 G N -1.040 107.753 108.800 -0.011 0.000 2.653 362 G HA2 0.734 4.693 3.960 -0.001 0.000 0.265 362 G HA3 0.734 4.693 3.960 -0.001 0.000 0.265 362 G C 1.171 176.083 174.900 0.020 0.000 1.237 362 G CA 1.544 46.659 45.100 0.026 0.000 0.946 362 G HN 2.702 nan 8.290 nan 0.000 0.522 363 G N -1.917 106.901 108.800 0.031 0.000 2.796 363 G HA2 0.413 4.372 3.960 -0.001 0.000 0.571 363 G HA3 0.413 4.372 3.960 -0.001 0.000 0.571 363 G C -0.021 174.899 174.900 0.034 0.000 1.370 363 G CA -0.006 45.112 45.100 0.030 0.000 0.856 363 G HN 2.025 nan 8.290 nan 0.000 0.538 364 A N 0.843 123.689 122.820 0.043 0.000 2.341 364 A HA 0.644 4.964 4.320 -0.001 0.000 0.326 364 A C -0.111 177.522 177.584 0.081 0.000 1.402 364 A CA -0.243 51.831 52.037 0.063 0.000 0.957 364 A CB 0.373 19.416 19.000 0.072 0.000 1.151 364 A HN 0.590 nan 8.150 nan 0.000 0.533 365 D N 1.448 121.902 120.400 0.089 0.000 2.268 365 D HA 0.352 4.991 4.640 -0.001 0.000 0.249 365 D C -0.384 176.000 176.300 0.141 0.000 1.008 365 D CA -0.101 53.959 54.000 0.101 0.000 0.939 365 D CB 1.384 42.229 40.800 0.075 0.000 1.170 365 D HN 0.517 nan 8.370 nan 0.000 0.468 366 E N 1.306 121.597 120.200 0.153 0.000 2.145 366 E HA 0.338 4.687 4.350 -0.001 0.000 0.262 366 E C -0.620 176.078 176.600 0.163 0.000 0.883 366 E CA -0.491 55.998 56.400 0.148 0.000 0.748 366 E CB 1.665 31.484 29.700 0.198 0.000 1.140 366 E HN 0.243 nan 8.360 nan 0.000 0.417 367 L N 2.643 123.908 121.223 0.069 0.000 2.296 367 L HA 0.509 4.848 4.340 -0.001 0.000 0.286 367 L C -0.817 176.111 176.870 0.096 0.000 1.023 367 L CA -0.888 54.075 54.840 0.205 0.000 0.812 367 L CB 0.847 43.098 42.059 0.319 0.000 1.223 367 L HN 0.375 nan 8.230 nan 0.000 0.421 368 W N 1.815 123.296 121.300 0.303 0.000 2.424 368 W HA 0.514 5.174 4.660 -0.001 0.000 0.318 368 W C 1.025 177.725 176.519 0.301 0.000 1.016 368 W CA -0.650 56.855 57.345 0.266 0.000 1.268 368 W CB 1.748 31.300 29.460 0.152 0.000 1.297 368 W HN 0.628 nan 8.180 nan 0.000 0.428 369 G N 1.559 110.710 108.800 0.585 0.000 2.430 369 G HA2 0.339 4.299 3.960 -0.001 0.000 0.216 369 G HA3 0.339 4.299 3.960 -0.001 0.000 0.216 369 G C 0.936 175.974 174.900 0.229 0.000 1.146 369 G CA 0.766 46.060 45.100 0.324 0.000 0.793 369 G HN 1.008 nan 8.290 nan 0.000 0.537 370 G N -0.504 108.461 108.800 0.275 0.000 2.542 370 G HA2 0.294 4.253 3.960 -0.001 0.000 0.235 370 G HA3 0.294 4.253 3.960 -0.001 0.000 0.235 370 G C 0.370 175.339 174.900 0.115 0.000 1.286 370 G CA 0.121 45.326 45.100 0.175 0.000 0.904 370 G HN 1.393 nan 8.290 nan 0.000 0.577 371 A N -0.674 122.186 122.820 0.066 0.000 2.259 371 A HA 1.053 5.372 4.320 -0.001 0.000 0.278 371 A C 1.626 179.221 177.584 0.019 0.000 1.107 371 A CA 1.728 53.788 52.037 0.037 0.000 0.828 371 A CB 0.419 19.433 19.000 0.023 0.000 1.111 371 A HN 3.045 nan 8.150 nan 0.000 0.498 372 G N -0.460 108.341 108.800 0.002 0.000 2.660 372 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.247 372 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.247 372 G C -0.612 174.270 174.900 -0.030 0.000 1.328 372 G CA -0.098 44.994 45.100 -0.013 0.000 0.884 372 G HN 0.850 nan 8.290 nan 0.000 0.531 373 K N 1.383 121.759 120.400 -0.041 0.000 2.292 373 K HA 0.445 4.765 4.320 -0.001 0.000 0.270 373 K C -0.790 175.762 176.600 -0.079 0.000 1.062 373 K CA -0.611 55.641 56.287 -0.059 0.000 0.916 373 K CB 1.042 33.516 32.500 -0.044 0.000 1.166 373 K HN 0.450 nan 8.250 nan 0.000 0.458 374 D N 2.675 123.008 120.400 -0.113 0.000 2.268 374 D HA 0.437 5.077 4.640 -0.001 0.000 0.249 374 D C -0.017 176.131 176.300 -0.253 0.000 1.008 374 D CA -0.380 53.483 54.000 -0.228 0.000 0.939 374 D CB 1.943 42.553 40.800 -0.317 0.000 1.170 374 D HN 0.278 nan 8.370 nan 0.000 0.468 375 I N 0.758 121.108 120.570 -0.366 0.000 2.498 375 I HA 0.313 4.482 4.170 -0.001 0.000 0.290 375 I C -1.009 174.897 176.117 -0.353 0.000 1.032 375 I CA -0.800 60.400 61.300 -0.168 0.000 1.073 375 I CB 1.404 39.395 38.000 -0.015 0.000 1.251 375 I HN 0.082 nan 8.210 nan 0.000 0.426 376 F N 5.295 125.348 119.950 0.171 0.000 2.426 376 F HA 0.563 5.090 4.527 -0.001 0.000 0.348 376 F C -0.028 175.801 175.800 0.047 0.000 1.124 376 F CA -0.891 57.163 58.000 0.090 0.000 1.008 376 F CB 1.668 40.791 39.000 0.204 0.000 1.139 376 F HN -0.015 nan 8.300 nan 0.000 0.452 377 V N 3.894 123.809 119.914 0.002 0.000 2.581 377 V HA 0.543 4.662 4.120 -0.001 0.000 0.303 377 V C -0.690 175.265 176.094 -0.231 0.000 1.041 377 V CA -0.990 61.383 62.300 0.121 0.000 0.907 377 V CB 1.772 33.793 31.823 0.331 0.000 0.994 377 V HN 0.498 nan 8.190 nan 0.000 0.442 378 F N 1.243 121.452 119.950 0.431 0.000 2.578 378 F HA 0.553 5.080 4.527 -0.001 0.000 0.311 378 F C 0.572 176.493 175.800 0.201 0.000 1.094 378 F CA -0.529 57.690 58.000 0.365 0.000 0.923 378 F CB 2.441 41.741 39.000 0.500 0.000 1.230 378 F HN 0.459 nan 8.300 nan 0.000 0.450 379 S N 0.047 115.898 115.700 0.252 0.000 2.817 379 S HA 0.783 5.252 4.470 -0.001 0.000 0.262 379 S C -0.258 174.196 174.600 -0.244 0.000 1.051 379 S CA 0.118 58.059 58.200 -0.431 0.000 1.185 379 S CB 0.407 63.119 63.200 -0.813 0.000 1.152 379 S HN 0.936 nan 8.310 nan 0.000 0.653 380 A N 0.356 123.352 122.820 0.293 0.000 2.574 380 A HA 0.903 5.222 4.320 -0.001 0.000 0.297 380 A C 0.804 178.667 177.584 0.465 0.000 1.062 380 A CA -0.288 51.988 52.037 0.398 0.000 0.686 380 A CB 0.428 19.565 19.000 0.228 0.000 1.285 380 A HN 0.754 nan 8.150 nan 0.000 0.403 381 A N 0.862 123.902 122.820 0.368 0.000 1.940 381 A HA -0.033 4.286 4.320 -0.001 0.000 0.219 381 A C 2.197 180.008 177.584 0.377 0.000 1.176 381 A CA 2.646 54.895 52.037 0.354 0.000 0.631 381 A CB -0.918 18.209 19.000 0.211 0.000 0.814 381 A HN 2.017 nan 8.150 nan 0.000 0.446 382 S N -0.227 115.630 115.700 0.262 0.000 2.547 382 S HA -0.123 4.346 4.470 -0.001 0.000 0.235 382 S C 1.074 175.779 174.600 0.175 0.000 0.980 382 S CA 1.245 59.553 58.200 0.181 0.000 0.941 382 S CB -0.427 62.853 63.200 0.134 0.000 0.763 382 S HN 0.480 nan 8.310 nan 0.000 0.532 383 D N 1.514 122.072 120.400 0.264 0.000 2.178 383 D HA 0.056 4.695 4.640 -0.001 0.000 0.202 383 D C 0.651 177.058 176.300 0.179 0.000 0.974 383 D CA 1.136 55.275 54.000 0.232 0.000 0.841 383 D CB -0.072 40.975 40.800 0.411 0.000 0.953 383 D HN 0.439 nan 8.370 nan 0.000 0.478 384 S N -0.535 115.239 115.700 0.125 0.000 2.440 384 S HA 0.585 5.054 4.470 -0.001 0.000 0.142 384 S C -0.756 173.726 174.600 -0.196 0.000 1.578 384 S CA -0.606 57.497 58.200 -0.162 0.000 1.260 384 S CB -0.118 62.764 63.200 -0.530 0.000 1.407 384 S HN 0.199 nan 8.310 nan 0.000 0.392 385 A N 3.759 126.546 122.820 -0.055 0.000 2.371 385 A HA 0.690 5.009 4.320 -0.001 0.000 0.257 385 A C -2.617 174.914 177.584 -0.088 0.000 1.089 385 A CA -1.345 50.668 52.037 -0.039 0.000 0.794 385 A CB -0.195 18.811 19.000 0.010 0.000 1.029 385 A HN 0.489 nan 8.150 nan 0.000 0.488 386 P HA 0.279 nan 4.420 nan 0.000 0.264 386 P C 1.021 178.287 177.300 -0.058 0.000 1.193 386 P CA 1.651 64.696 63.100 -0.093 0.000 0.763 386 P CB 0.777 32.430 31.700 -0.078 0.000 0.810 387 G N 2.452 111.224 108.800 -0.047 0.000 2.339 387 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.209 387 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.209 387 G C 0.277 175.174 174.900 -0.005 0.000 1.015 387 G CA 0.107 45.196 45.100 -0.019 0.000 0.635 387 G HN 0.863 nan 8.290 nan 0.000 0.499 388 A N 0.424 123.234 122.820 -0.017 0.000 3.448 388 A HA 0.758 5.077 4.320 -0.001 0.000 0.232 388 A C 0.221 177.790 177.584 -0.024 0.000 1.018 388 A CA 0.975 53.013 52.037 0.002 0.000 0.996 388 A CB 0.221 19.227 19.000 0.011 0.000 1.283 388 A HN 0.949 nan 8.150 nan 0.000 0.586 389 S N 0.854 116.518 115.700 -0.060 0.000 2.576 389 S HA 0.316 4.785 4.470 -0.001 0.000 0.276 389 S C -0.026 174.521 174.600 -0.088 0.000 1.339 389 S CA -0.152 57.952 58.200 -0.160 0.000 1.039 389 S CB 0.568 63.590 63.200 -0.297 0.000 0.902 389 S HN 0.604 nan 8.310 nan 0.000 0.516 390 D N 0.212 120.531 120.400 -0.135 0.000 2.344 390 D HA 0.367 5.006 4.640 -0.001 0.000 0.244 390 D C -0.938 175.296 176.300 -0.110 0.000 1.134 390 D CA 0.098 54.093 54.000 -0.008 0.000 0.930 390 D CB 0.477 41.321 40.800 0.074 0.000 1.175 390 D HN 0.437 nan 8.370 nan 0.000 0.437 391 W N 0.724 121.972 121.300 -0.087 0.000 2.739 391 W HA 0.485 5.144 4.660 -0.001 0.000 0.331 391 W C -0.465 175.925 176.519 -0.215 0.000 1.049 391 W CA -0.549 56.706 57.345 -0.150 0.000 1.234 391 W CB 0.941 30.308 29.460 -0.155 0.000 1.404 391 W HN 0.073 nan 8.180 nan 0.000 0.477 392 I N 5.111 125.648 120.570 -0.055 0.000 2.306 392 I HA 0.237 4.406 4.170 -0.001 0.000 0.288 392 I C 1.159 177.146 176.117 -0.216 0.000 1.036 392 I CA -0.734 60.402 61.300 -0.274 0.000 1.221 392 I CB 1.049 38.731 38.000 -0.530 0.000 1.385 392 I HN 0.421 nan 8.210 nan 0.000 0.472 393 R N 3.552 123.775 120.500 -0.461 0.000 2.299 393 R HA 0.011 4.350 4.340 -0.001 0.000 0.197 393 R C -0.093 175.967 176.300 -0.401 0.000 0.971 393 R CA 0.486 56.197 56.100 -0.648 0.000 1.030 393 R CB -0.184 29.079 30.300 -1.729 0.000 0.932 393 R HN 0.727 nan 8.270 nan 0.000 0.477 394 D N -1.712 118.590 120.400 -0.164 0.000 3.007 394 D HA -0.026 4.614 4.640 -0.001 0.000 0.363 394 D C -0.465 175.905 176.300 0.118 0.000 1.474 394 D CA -0.637 53.395 54.000 0.055 0.000 0.767 394 D CB -1.155 39.766 40.800 0.202 0.000 1.227 394 D HN -0.134 nan 8.370 nan 0.000 0.471 395 F N 1.991 121.906 119.950 -0.057 0.000 2.578 395 F HA 0.210 4.736 4.527 -0.001 0.000 0.376 395 F C 0.458 176.265 175.800 0.013 0.000 1.085 395 F CA 0.574 58.555 58.000 -0.031 0.000 1.260 395 F CB 0.741 39.657 39.000 -0.140 0.000 1.095 395 F HN -0.047 nan 8.300 nan 0.000 0.573 396 Q N 6.378 125.907 119.800 -0.452 0.000 2.394 396 Q HA 0.166 4.505 4.340 -0.001 0.000 0.259 396 Q C -0.544 175.238 176.000 -0.364 0.000 1.021 396 Q CA -1.055 54.591 55.803 -0.261 0.000 0.805 396 Q CB 1.601 30.235 28.738 -0.175 0.000 1.226 396 Q HN 0.598 nan 8.270 nan 0.000 0.476 397 K N -0.173 120.195 120.400 -0.054 0.000 2.436 397 K HA 0.297 4.617 4.320 -0.001 0.000 0.275 397 K C 0.967 177.548 176.600 -0.032 0.000 0.999 397 K CA 0.686 57.005 56.287 0.054 0.000 0.980 397 K CB 0.326 32.885 32.500 0.098 0.000 0.919 397 K HN 0.662 nan 8.250 nan 0.000 0.484 398 G N 2.054 110.847 108.800 -0.012 0.000 2.212 398 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.266 398 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.266 398 G C 0.600 175.468 174.900 -0.053 0.000 0.978 398 G CA 0.642 45.730 45.100 -0.020 0.000 0.632 398 G HN 0.649 nan 8.290 nan 0.000 0.537 399 I N -0.322 120.177 120.570 -0.118 0.000 3.518 399 I HA 0.270 4.439 4.170 -0.001 0.000 0.260 399 I C 0.839 176.851 176.117 -0.175 0.000 1.148 399 I CA -0.106 61.117 61.300 -0.128 0.000 1.440 399 I CB -0.004 37.922 38.000 -0.123 0.000 1.485 399 I HN -0.066 nan 8.210 nan 0.000 0.456 400 D N 2.271 122.451 120.400 -0.366 0.000 2.383 400 D HA 0.340 4.980 4.640 -0.001 0.000 0.248 400 D C -0.217 175.995 176.300 -0.147 0.000 1.170 400 D CA 0.213 53.991 54.000 -0.371 0.000 0.977 400 D CB 0.900 41.249 40.800 -0.751 0.000 1.120 400 D HN -0.054 nan 8.370 nan 0.000 0.481 401 K N 0.383 120.880 120.400 0.161 0.000 2.508 401 K HA 0.523 4.843 4.320 -0.001 0.000 0.260 401 K C -0.756 176.123 176.600 0.464 0.000 0.949 401 K CA -0.720 55.732 56.287 0.275 0.000 0.834 401 K CB 2.114 34.717 32.500 0.172 0.000 1.365 401 K HN 0.287 nan 8.250 nan 0.000 0.437 402 I N 1.425 122.150 120.570 0.258 0.000 2.355 402 I HA 0.107 4.276 4.170 -0.001 0.000 0.288 402 I C -0.472 175.909 176.117 0.440 0.000 0.999 402 I CA -0.457 61.058 61.300 0.357 0.000 1.163 402 I CB 1.482 39.570 38.000 0.147 0.000 1.316 402 I HN 0.368 nan 8.210 nan 0.000 0.454 403 D N 7.529 128.229 120.400 0.500 0.000 2.373 403 D HA 0.319 4.959 4.640 -0.001 0.000 0.227 403 D C 0.073 176.683 176.300 0.517 0.000 1.091 403 D CA -0.120 54.145 54.000 0.442 0.000 0.840 403 D CB 1.198 42.202 40.800 0.339 0.000 1.060 403 D HN 0.433 nan 8.370 nan 0.000 0.502 404 L N 2.854 124.366 121.223 0.482 0.000 2.857 404 L HA 0.062 4.401 4.340 -0.001 0.000 0.249 404 L C 2.130 179.208 176.870 0.347 0.000 1.172 404 L CA -0.126 55.002 54.840 0.479 0.000 0.980 404 L CB 0.157 42.473 42.059 0.428 0.000 1.299 404 L HN 0.319 nan 8.230 nan 0.000 0.535 405 S N 0.241 116.097 115.700 0.261 0.000 2.440 405 S HA -0.268 4.201 4.470 -0.001 0.000 0.240 405 S C 1.846 176.462 174.600 0.026 0.000 1.014 405 S CA 0.996 59.294 58.200 0.164 0.000 0.980 405 S CB -0.616 62.689 63.200 0.174 0.000 0.775 405 S HN 0.502 nan 8.310 nan 0.000 0.499 406 F N 2.231 122.012 119.950 -0.282 0.000 2.095 406 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 406 F C 1.633 177.201 175.800 -0.386 0.000 1.104 406 F CA 1.343 58.981 58.000 -0.603 0.000 1.232 406 F CB -0.584 37.756 39.000 -1.101 0.000 0.987 406 F HN 0.189 nan 8.300 nan 0.000 0.475 407 F N 0.813 120.730 119.950 -0.055 0.000 2.075 407 F HA -0.195 4.332 4.527 -0.001 0.000 0.297 407 F C 2.357 178.149 175.800 -0.015 0.000 1.113 407 F CA 2.062 60.045 58.000 -0.029 0.000 1.218 407 F CB -1.495 37.606 39.000 0.170 0.000 0.984 407 F HN 0.017 nan 8.300 nan 0.000 0.472 408 N N -0.017 118.806 118.700 0.206 0.000 2.244 408 N HA -0.186 4.553 4.740 -0.001 0.000 0.183 408 N C 1.891 177.394 175.510 -0.013 0.000 1.016 408 N CA 0.771 53.908 53.050 0.145 0.000 0.866 408 N CB -0.147 38.419 38.487 0.132 0.000 0.980 408 N HN 0.263 nan 8.380 nan 0.000 0.430 409 K N 1.802 122.140 120.400 -0.102 0.000 2.032 409 K HA -0.229 4.091 4.320 -0.001 0.000 0.209 409 K C 1.996 178.456 176.600 -0.233 0.000 1.048 409 K CA 1.479 57.672 56.287 -0.158 0.000 0.927 409 K CB 0.003 32.387 32.500 -0.193 0.000 0.712 409 K HN 0.143 nan 8.250 nan 0.000 0.441 410 E N -0.336 119.617 120.200 -0.413 0.000 2.072 410 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 410 E C 1.599 178.054 176.600 -0.243 0.000 0.985 410 E CA 1.015 57.175 56.400 -0.401 0.000 0.801 410 E CB -0.126 29.178 29.700 -0.660 0.000 0.750 410 E HN 0.433 nan 8.360 nan 0.000 0.452 411 A N 0.162 122.852 122.820 -0.215 0.000 2.167 411 A HA -0.059 4.260 4.320 -0.001 0.000 0.214 411 A C 0.743 178.251 177.584 -0.128 0.000 1.151 411 A CA 0.597 52.501 52.037 -0.223 0.000 0.735 411 A CB 0.049 18.854 19.000 -0.325 0.000 0.802 411 A HN 0.333 nan 8.150 nan 0.000 0.467 412 Q N -0.640 119.105 119.800 -0.093 0.000 2.468 412 Q HA -0.165 4.175 4.340 -0.001 0.000 0.289 412 Q C -0.083 175.900 176.000 -0.029 0.000 1.299 412 Q CA 1.248 57.018 55.803 -0.056 0.000 0.838 412 Q CB -2.197 26.505 28.738 -0.059 0.000 1.195 412 Q HN 0.741 nan 8.270 nan 0.000 0.456 413 S N -1.845 113.855 115.700 -0.000 0.000 2.572 413 S HA 0.508 4.977 4.470 -0.001 0.000 0.274 413 S C 0.691 175.330 174.600 0.065 0.000 1.150 413 S CA -0.019 58.198 58.200 0.029 0.000 0.944 413 S CB 1.797 65.018 63.200 0.034 0.000 1.071 413 S HN 0.092 nan 8.310 nan 0.000 0.479 414 S N 2.502 118.228 115.700 0.044 0.000 2.481 414 S HA 0.011 4.480 4.470 -0.001 0.000 0.231 414 S C 0.471 175.099 174.600 0.048 0.000 0.996 414 S CA 0.730 58.959 58.200 0.049 0.000 0.942 414 S CB -0.137 63.083 63.200 0.032 0.000 0.768 414 S HN 0.778 nan 8.310 nan 0.000 0.520 415 D N -0.072 120.349 120.400 0.035 0.000 2.402 415 D HA 0.191 4.831 4.640 -0.001 0.000 0.216 415 D C 0.919 177.219 176.300 0.001 0.000 1.128 415 D CA -0.135 53.852 54.000 -0.022 0.000 0.833 415 D CB 0.028 40.778 40.800 -0.084 0.000 0.971 415 D HN 0.287 nan 8.370 nan 0.000 0.503 416 F N 1.833 121.763 119.950 -0.034 0.000 2.022 416 F HA -0.009 4.517 4.527 -0.001 0.000 0.293 416 F C 0.677 176.526 175.800 0.083 0.000 1.142 416 F CA 0.668 58.663 58.000 -0.008 0.000 1.177 416 F CB -0.025 38.961 39.000 -0.022 0.000 0.982 416 F HN -0.270 nan 8.300 nan 0.000 0.473 417 I N 3.406 123.727 120.570 -0.415 0.000 2.471 417 I HA 0.116 4.286 4.170 -0.001 0.000 0.286 417 I C -0.426 175.550 176.117 -0.235 0.000 1.079 417 I CA 0.275 61.270 61.300 -0.507 0.000 1.398 417 I CB -0.625 37.147 38.000 -0.381 0.000 1.403 417 I HN 0.434 nan 8.210 nan 0.000 0.530 418 H N 5.197 123.964 119.070 -0.505 0.000 3.029 418 H HA 0.366 4.922 4.556 -0.001 0.000 0.358 418 H C -1.729 173.336 175.328 -0.440 0.000 1.129 418 H CA -0.967 54.881 56.048 -0.334 0.000 1.230 418 H CB 0.373 30.027 29.762 -0.181 0.000 1.827 418 H HN 0.158 nan 8.280 nan 0.000 0.530 419 F N 2.138 121.909 119.950 -0.298 0.000 2.412 419 F HA 0.381 4.907 4.527 -0.001 0.000 0.348 419 F C 1.054 176.679 175.800 -0.291 0.000 1.102 419 F CA -0.110 57.690 58.000 -0.332 0.000 1.196 419 F CB 1.397 40.226 39.000 -0.285 0.000 1.144 419 F HN 0.532 nan 8.300 nan 0.000 0.541 420 V N -0.710 119.087 119.914 -0.195 0.000 3.141 420 V HA 0.525 4.644 4.120 -0.001 0.000 0.312 420 V C -0.284 175.663 176.094 -0.245 0.000 1.157 420 V CA -0.803 61.347 62.300 -0.249 0.000 1.041 420 V CB 2.158 33.751 31.823 -0.385 0.000 1.071 420 V HN 0.622 nan 8.190 nan 0.000 0.441 421 D N 0.300 120.563 120.400 -0.228 0.000 2.327 421 D HA 0.130 4.770 4.640 -0.001 0.000 0.205 421 D C 0.371 176.584 176.300 -0.145 0.000 0.989 421 D CA 1.299 55.219 54.000 -0.133 0.000 0.873 421 D CB 0.119 40.903 40.800 -0.025 0.000 0.955 421 D HN 0.930 nan 8.370 nan 0.000 0.515 422 H N -1.874 117.074 119.070 -0.202 0.000 2.996 422 H HA 0.261 4.816 4.556 -0.001 0.000 0.368 422 H C -1.109 174.100 175.328 -0.198 0.000 1.185 422 H CA -0.784 55.143 56.048 -0.202 0.000 1.160 422 H CB 0.215 29.930 29.762 -0.078 0.000 1.820 422 H HN -0.333 nan 8.280 nan 0.000 0.547 423 F N 1.584 121.524 119.950 -0.016 0.000 2.418 423 F HA 0.171 4.698 4.527 -0.001 0.000 0.341 423 F C 1.724 177.564 175.800 0.067 0.000 1.120 423 F CA 0.647 58.611 58.000 -0.060 0.000 1.232 423 F CB 1.641 40.617 39.000 -0.040 0.000 1.175 423 F HN 0.747 nan 8.300 nan 0.000 0.569 424 S N -0.319 115.521 115.700 0.234 0.000 2.687 424 S HA 0.390 4.859 4.470 -0.001 0.000 0.247 424 S C 1.126 175.791 174.600 0.109 0.000 1.050 424 S CA 0.247 58.556 58.200 0.182 0.000 1.063 424 S CB 0.376 63.652 63.200 0.127 0.000 1.039 424 S HN 1.343 nan 8.310 nan 0.000 0.580 425 G N 1.166 110.014 108.800 0.080 0.000 2.176 425 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.232 425 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.232 425 G C 0.314 175.203 174.900 -0.019 0.000 0.986 425 G CA -0.121 44.977 45.100 -0.002 0.000 0.643 425 G HN 1.370 nan 8.290 nan 0.000 0.522 426 A N 0.355 123.184 122.820 0.015 0.000 2.425 426 A HA 0.831 5.150 4.320 -0.001 0.000 0.249 426 A C 0.995 178.573 177.584 -0.012 0.000 1.084 426 A CA 0.985 53.036 52.037 0.023 0.000 0.781 426 A CB 0.500 19.542 19.000 0.070 0.000 1.019 426 A HN 2.085 nan 8.150 nan 0.000 0.490 427 A N 1.092 123.919 122.820 0.011 0.000 2.407 427 A HA 0.527 4.847 4.320 -0.001 0.000 0.248 427 A C 1.553 179.113 177.584 -0.040 0.000 1.082 427 A CA 0.623 52.669 52.037 0.014 0.000 0.785 427 A CB -0.390 18.703 19.000 0.154 0.000 1.020 427 A HN 2.722 nan 8.150 nan 0.000 0.489 428 G N 0.749 109.323 108.800 -0.377 0.000 2.217 428 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.246 428 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.246 428 G C 0.149 174.629 174.900 -0.699 0.000 0.990 428 G CA 0.432 44.966 45.100 -0.944 0.000 0.627 428 G HN 0.884 nan 8.290 nan 0.000 0.522 429 E N 1.140 121.044 120.200 -0.494 0.000 2.417 429 E HA 0.478 4.827 4.350 -0.001 0.000 0.261 429 E C 0.452 176.818 176.600 -0.389 0.000 1.000 429 E CA 0.468 56.528 56.400 -0.567 0.000 0.919 429 E CB 0.795 30.395 29.700 -0.168 0.000 0.955 429 E HN 0.733 nan 8.360 nan 0.000 0.455 430 A N 4.109 126.559 122.820 -0.616 0.000 2.343 430 A HA 0.601 4.920 4.320 -0.001 0.000 0.316 430 A C -1.340 175.978 177.584 -0.443 0.000 1.104 430 A CA -0.629 51.049 52.037 -0.600 0.000 0.768 430 A CB 0.870 19.122 19.000 -1.247 0.000 1.213 430 A HN 0.458 nan 8.150 nan 0.000 0.456 431 L N 2.514 123.577 121.223 -0.267 0.000 2.410 431 L HA 0.670 5.010 4.340 -0.001 0.000 0.270 431 L C -1.522 175.307 176.870 -0.067 0.000 0.983 431 L CA -0.288 54.397 54.840 -0.257 0.000 0.822 431 L CB 1.671 43.301 42.059 -0.715 0.000 1.285 431 L HN 0.655 nan 8.230 nan 0.000 0.409 432 L N 4.162 125.377 121.223 -0.014 0.000 2.296 432 L HA 0.602 4.942 4.340 -0.001 0.000 0.286 432 L C -0.509 176.354 176.870 -0.011 0.000 1.023 432 L CA -0.309 54.539 54.840 0.013 0.000 0.812 432 L CB 1.780 43.853 42.059 0.023 0.000 1.223 432 L HN 0.667 nan 8.230 nan 0.000 0.421 433 S N 2.898 118.601 115.700 0.004 0.000 2.707 433 S HA 0.366 4.835 4.470 -0.001 0.000 0.312 433 S C -1.137 173.514 174.600 0.084 0.000 1.116 433 S CA -0.494 57.717 58.200 0.019 0.000 1.078 433 S CB 1.004 64.196 63.200 -0.013 0.000 0.997 433 S HN 0.375 nan 8.310 nan 0.000 0.477 434 Y N 3.548 123.821 120.300 -0.045 0.000 2.331 434 Y HA 0.561 5.110 4.550 -0.001 0.000 0.338 434 Y C -0.510 175.376 175.900 -0.024 0.000 0.992 434 Y CA -1.269 56.809 58.100 -0.036 0.000 1.121 434 Y CB 0.861 39.305 38.460 -0.027 0.000 1.184 434 Y HN 0.574 nan 8.280 nan 0.000 0.469 435 N N 4.637 123.110 118.700 -0.379 0.000 2.546 435 N HA 0.328 5.067 4.740 -0.001 0.000 0.238 435 N C 0.237 175.342 175.510 -0.674 0.000 0.984 435 N CA 0.340 53.138 53.050 -0.421 0.000 0.935 435 N CB 1.388 39.773 38.487 -0.170 0.000 1.122 435 N HN 0.857 nan 8.380 nan 0.000 0.510 436 A N 2.355 124.674 122.820 -0.835 0.000 2.015 436 A HA -0.056 4.263 4.320 -0.001 0.000 0.219 436 A C 1.956 179.404 177.584 -0.226 0.000 1.163 436 A CA 1.258 52.938 52.037 -0.594 0.000 0.646 436 A CB -0.136 18.619 19.000 -0.408 0.000 0.806 436 A HN 0.612 nan 8.150 nan 0.000 0.448 437 S N 0.472 116.064 115.700 -0.179 0.000 2.387 437 S HA -0.123 4.346 4.470 -0.001 0.000 0.226 437 S C 1.542 176.110 174.600 -0.054 0.000 1.026 437 S CA 1.212 59.359 58.200 -0.087 0.000 0.972 437 S CB -0.397 62.762 63.200 -0.069 0.000 0.814 437 S HN 0.995 nan 8.310 nan 0.000 0.477 438 N N 0.515 119.178 118.700 -0.061 0.000 2.205 438 N HA 0.119 4.858 4.740 -0.001 0.000 0.201 438 N C 0.042 175.568 175.510 0.026 0.000 1.128 438 N CA -0.002 53.044 53.050 -0.007 0.000 0.867 438 N CB -0.173 38.321 38.487 0.010 0.000 0.996 438 N HN 0.332 nan 8.380 nan 0.000 0.503 439 N N 0.124 118.833 118.700 0.015 0.000 2.758 439 N HA -0.155 4.584 4.740 -0.001 0.000 0.248 439 N C -1.474 174.129 175.510 0.156 0.000 1.076 439 N CA 0.026 53.148 53.050 0.120 0.000 0.696 439 N CB -0.553 38.003 38.487 0.115 0.000 0.979 439 N HN 0.075 nan 8.380 nan 0.000 0.550 440 V N 0.993 120.979 119.914 0.119 0.000 2.656 440 V HA 0.470 4.589 4.120 -0.001 0.000 0.307 440 V C 0.219 176.381 176.094 0.113 0.000 1.051 440 V CA -0.447 61.923 62.300 0.116 0.000 0.893 440 V CB 2.061 33.948 31.823 0.106 0.000 0.999 440 V HN 0.138 nan 8.190 nan 0.000 0.426 441 T N 2.797 117.386 114.554 0.059 0.000 2.807 441 T HA 0.484 4.833 4.350 -0.001 0.000 0.279 441 T C -1.034 173.600 174.700 -0.110 0.000 0.993 441 T CA -0.515 61.607 62.100 0.036 0.000 0.970 441 T CB 1.325 70.185 68.868 -0.014 0.000 0.950 441 T HN 0.607 nan 8.240 nan 0.000 0.441 442 D N 2.360 122.707 120.400 -0.088 0.000 2.193 442 D HA 0.358 4.998 4.640 -0.001 0.000 0.244 442 D C -0.652 175.590 176.300 -0.097 0.000 1.064 442 D CA -0.423 53.489 54.000 -0.147 0.000 0.845 442 D CB 1.271 41.999 40.800 -0.119 0.000 1.148 442 D HN 0.273 nan 8.370 nan 0.000 0.464 443 L N 2.088 123.229 121.223 -0.136 0.000 2.316 443 L HA 0.418 4.757 4.340 -0.001 0.000 0.280 443 L C -1.024 175.807 176.870 -0.064 0.000 1.006 443 L CA -0.305 54.507 54.840 -0.046 0.000 0.836 443 L CB 0.760 42.814 42.059 -0.008 0.000 1.221 443 L HN 0.252 nan 8.230 nan 0.000 0.418 444 S N 3.919 119.639 115.700 0.032 0.000 2.473 444 S HA 0.735 5.205 4.470 -0.001 0.000 0.307 444 S C -0.536 174.182 174.600 0.197 0.000 1.094 444 S CA -0.561 57.711 58.200 0.120 0.000 1.070 444 S CB 2.298 65.666 63.200 0.281 0.000 1.019 444 S HN 0.382 nan 8.310 nan 0.000 0.480 445 V N 2.589 122.604 119.914 0.169 0.000 2.789 445 V HA 0.439 4.558 4.120 -0.001 0.000 0.311 445 V C -0.365 175.650 176.094 -0.133 0.000 1.073 445 V CA -0.945 61.343 62.300 -0.020 0.000 0.921 445 V CB 2.017 33.702 31.823 -0.229 0.000 1.009 445 V HN 0.950 nan 8.190 nan 0.000 0.426 446 N N 2.795 121.354 118.700 -0.235 0.000 2.801 446 N HA 0.413 5.152 4.740 -0.001 0.000 0.235 446 N C 0.719 176.062 175.510 -0.279 0.000 1.069 446 N CA -0.249 52.622 53.050 -0.298 0.000 0.946 446 N CB 0.570 38.824 38.487 -0.388 0.000 1.212 446 N HN 0.702 nan 8.380 nan 0.000 0.509 447 I N 1.229 121.649 120.570 -0.249 0.000 2.277 447 I HA -0.031 4.138 4.170 -0.001 0.000 0.243 447 I C 2.372 178.452 176.117 -0.061 0.000 1.094 447 I CA 0.900 62.077 61.300 -0.205 0.000 1.393 447 I CB -0.054 37.760 38.000 -0.309 0.000 1.078 447 I HN 0.563 nan 8.210 nan 0.000 0.417 448 G N -0.252 108.460 108.800 -0.147 0.000 2.422 448 G HA2 0.034 3.993 3.960 -0.001 0.000 0.218 448 G HA3 0.034 3.993 3.960 -0.001 0.000 0.218 448 G C 1.319 175.844 174.900 -0.625 0.000 1.140 448 G CA 0.711 45.614 45.100 -0.327 0.000 0.775 448 G HN 0.610 nan 8.290 nan 0.000 0.545 449 G N -0.240 108.209 108.800 -0.586 0.000 2.165 449 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.226 449 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.226 449 G C 0.185 174.835 174.900 -0.416 0.000 1.035 449 G CA 0.144 45.019 45.100 -0.374 0.000 0.744 449 G HN 0.703 nan 8.290 nan 0.000 0.501 450 H N -0.550 118.476 119.070 -0.073 0.000 2.497 450 H HA 0.354 4.909 4.556 -0.001 0.000 0.331 450 H C 1.401 176.671 175.328 -0.097 0.000 1.457 450 H CA -0.074 55.931 56.048 -0.070 0.000 1.459 450 H CB 0.409 30.131 29.762 -0.067 0.000 1.728 450 H HN 0.147 nan 8.280 nan 0.000 0.691 451 Q N -0.503 119.342 119.800 0.074 0.000 2.291 451 Q HA 0.059 4.399 4.340 -0.001 0.000 0.206 451 Q C 0.225 176.189 176.000 -0.061 0.000 0.976 451 Q CA 0.882 56.684 55.803 -0.002 0.000 0.875 451 Q CB 0.268 29.008 28.738 0.003 0.000 0.927 451 Q HN 0.536 nan 8.270 nan 0.000 0.450 452 A N 1.017 123.799 122.820 -0.063 0.000 2.515 452 A HA 0.584 4.903 4.320 -0.001 0.000 0.296 452 A C -2.647 174.816 177.584 -0.201 0.000 1.094 452 A CA -1.650 50.289 52.037 -0.163 0.000 0.718 452 A CB 1.201 20.142 19.000 -0.098 0.000 1.307 452 A HN -0.164 nan 8.150 nan 0.000 0.408 453 P HA 0.145 nan 4.420 nan 0.000 0.266 453 P C -0.591 176.652 177.300 -0.096 0.000 1.195 453 P CA 0.365 63.271 63.100 -0.323 0.000 0.768 453 P CB 0.524 31.984 31.700 -0.399 0.000 0.838 454 D N 0.840 121.237 120.400 -0.004 0.000 2.395 454 D HA 0.130 4.769 4.640 -0.001 0.000 0.213 454 D C -0.464 175.914 176.300 0.130 0.000 1.110 454 D CA -0.104 53.941 54.000 0.075 0.000 0.835 454 D CB -0.439 40.466 40.800 0.176 0.000 0.965 454 D HN 0.285 nan 8.370 nan 0.000 0.505 455 F N 0.776 120.657 119.950 -0.114 0.000 2.588 455 F HA 0.545 5.071 4.527 -0.001 0.000 0.318 455 F C -2.311 173.400 175.800 -0.149 0.000 1.155 455 F CA -1.358 56.567 58.000 -0.125 0.000 0.967 455 F CB 1.870 40.778 39.000 -0.153 0.000 1.236 455 F HN -0.148 nan 8.300 nan 0.000 0.455 456 L N 7.631 128.498 121.223 -0.594 0.000 2.516 456 L HA 0.756 5.095 4.340 -0.001 0.000 0.267 456 L C -1.950 174.506 176.870 -0.690 0.000 0.957 456 L CA -0.490 54.045 54.840 -0.509 0.000 0.860 456 L CB 1.881 43.774 42.059 -0.278 0.000 1.265 456 L HN 0.417 nan 8.230 nan 0.000 0.403 457 V N 4.475 123.977 119.914 -0.687 0.000 2.513 457 V HA 0.633 4.752 4.120 -0.001 0.000 0.299 457 V C -0.327 175.422 176.094 -0.576 0.000 1.035 457 V CA -0.840 61.071 62.300 -0.647 0.000 0.889 457 V CB 1.832 33.252 31.823 -0.671 0.000 0.988 457 V HN 0.580 nan 8.190 nan 0.000 0.440 458 K N 4.907 124.852 120.400 -0.758 0.000 2.235 458 K HA 0.661 4.980 4.320 -0.001 0.000 0.266 458 K C -0.970 175.199 176.600 -0.719 0.000 0.980 458 K CA -0.247 55.433 56.287 -1.013 0.000 0.849 458 K CB 2.202 33.359 32.500 -2.239 0.000 1.098 458 K HN 0.533 nan 8.250 nan 0.000 0.445 459 I N 2.087 122.392 120.570 -0.440 0.000 2.465 459 I HA 0.227 4.396 4.170 -0.001 0.000 0.291 459 I C -0.173 175.924 176.117 -0.034 0.000 1.014 459 I CA -1.354 59.806 61.300 -0.234 0.000 1.093 459 I CB 2.158 39.956 38.000 -0.337 0.000 1.267 459 I HN 0.055 nan 8.210 nan 0.000 0.431 460 V N 5.581 125.543 119.914 0.079 0.000 2.389 460 V HA 0.758 4.878 4.120 -0.001 0.000 0.264 460 V C 0.655 176.814 176.094 0.109 0.000 1.049 460 V CA 0.187 62.567 62.300 0.133 0.000 0.932 460 V CB 0.036 31.917 31.823 0.097 0.000 1.011 460 V HN 1.101 nan 8.190 nan 0.000 0.475 461 G N 4.761 113.640 108.800 0.132 0.000 2.381 461 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.672 461 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.672 461 G C -1.152 173.807 174.900 0.098 0.000 1.324 461 G CA -0.913 44.275 45.100 0.146 0.000 0.975 461 G HN 0.533 nan 8.290 nan 0.000 0.593 462 Q N -1.128 118.686 119.800 0.024 0.000 2.230 462 Q HA 0.633 4.972 4.340 -0.001 0.000 0.248 462 Q C -0.365 175.590 176.000 -0.075 0.000 0.915 462 Q CA -0.780 54.877 55.803 -0.244 0.000 0.900 462 Q CB 2.393 30.897 28.738 -0.390 0.000 1.229 462 Q HN 0.526 nan 8.270 nan 0.000 0.439 463 V N 1.471 121.274 119.914 -0.186 0.000 2.531 463 V HA 0.160 4.280 4.120 -0.001 0.000 0.301 463 V C -0.805 175.246 176.094 -0.073 0.000 1.034 463 V CA -0.840 61.389 62.300 -0.117 0.000 0.865 463 V CB 1.850 33.479 31.823 -0.324 0.000 0.995 463 V HN 0.686 nan 8.190 nan 0.000 0.424 464 D N 3.521 123.925 120.400 0.007 0.000 2.428 464 D HA 0.203 4.842 4.640 -0.001 0.000 0.221 464 D C 0.827 177.149 176.300 0.037 0.000 1.123 464 D CA -0.097 53.898 54.000 -0.010 0.000 0.869 464 D CB 1.876 42.672 40.800 -0.007 0.000 1.032 464 D HN 0.233 nan 8.370 nan 0.000 0.506 465 V N 4.605 124.518 119.914 -0.001 0.000 2.439 465 V HA -0.309 3.810 4.120 -0.001 0.000 0.253 465 V C 2.074 178.139 176.094 -0.049 0.000 1.074 465 V CA 2.705 64.955 62.300 -0.083 0.000 1.076 465 V CB -0.418 31.133 31.823 -0.454 0.000 0.664 465 V HN 0.707 nan 8.190 nan 0.000 0.461 466 A N -0.764 122.034 122.820 -0.037 0.000 2.015 466 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 466 A C 2.170 179.780 177.584 0.043 0.000 1.163 466 A CA 2.306 54.338 52.037 -0.008 0.000 0.646 466 A CB -0.448 18.544 19.000 -0.014 0.000 0.806 466 A HN 0.758 nan 8.150 nan 0.000 0.448 467 T N -5.657 108.934 114.554 0.062 0.000 3.041 467 T HA 0.155 4.504 4.350 -0.001 0.000 0.276 467 T C 0.176 174.929 174.700 0.087 0.000 0.948 467 T CA 0.375 62.518 62.100 0.071 0.000 0.885 467 T CB 0.156 69.048 68.868 0.040 0.000 1.175 467 T HN 0.138 nan 8.240 nan 0.000 0.529 468 D N 0.588 121.039 120.400 0.085 0.000 2.342 468 D HA 0.368 5.007 4.640 -0.001 0.000 0.221 468 D C -0.631 175.551 176.300 -0.197 0.000 1.101 468 D CA -0.105 53.889 54.000 -0.011 0.000 0.837 468 D CB 0.100 40.904 40.800 0.007 0.000 0.938 468 D HN 0.403 nan 8.370 nan 0.000 0.508 469 F N 0.012 120.059 119.950 0.161 0.000 2.579 469 F HA 0.510 5.036 4.527 -0.001 0.000 0.324 469 F C 0.110 176.027 175.800 0.196 0.000 1.058 469 F CA -1.099 57.028 58.000 0.212 0.000 0.944 469 F CB 1.867 41.008 39.000 0.236 0.000 1.245 469 F HN -0.362 nan 8.300 nan 0.000 0.477 470 I N 2.922 123.749 120.570 0.427 0.000 2.411 470 I HA 0.513 4.682 4.170 -0.001 0.000 0.284 470 I C -0.895 175.420 176.117 0.330 0.000 1.012 470 I CA -0.489 60.996 61.300 0.308 0.000 1.119 470 I CB 1.300 39.448 38.000 0.246 0.000 1.261 470 I HN 0.238 nan 8.210 nan 0.000 0.448 471 V N 0.000 120.075 119.914 0.269 0.000 2.409 471 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 471 V CA 0.000 62.433 62.300 0.222 0.000 1.235 471 V CB 0.000 31.950 31.823 0.212 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556