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 1smp_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 EGNPTYNDVT 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 LSFFNKEANS SDFIHFVDHF SGTAGEALLS YNASSNVTDL 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 0.000 174.746 174.700 0.077 0.000 1.109 4 T CA 0.000 62.160 62.100 0.100 0.000 1.349 4 T CB 0.000 68.962 68.868 0.157 0.000 0.612 5 G N -0.586 108.270 108.800 0.093 0.000 2.443 5 G HA2 -0.067 3.889 3.960 -0.007 0.000 0.219 5 G HA3 -0.067 3.889 3.960 -0.007 0.000 0.219 5 G C 0.987 175.901 174.900 0.023 0.000 1.131 5 G CA 0.881 46.007 45.100 0.044 0.000 0.775 5 G HN 0.763 nan 8.290 nan 0.000 0.547 6 Y N 1.883 122.193 120.300 0.015 0.000 2.224 6 Y HA -0.104 4.442 4.550 -0.007 0.000 0.289 6 Y C 2.345 178.222 175.900 -0.038 0.000 1.146 6 Y CA 1.660 59.752 58.100 -0.014 0.000 1.182 6 Y CB 0.022 38.517 38.460 0.059 0.000 0.983 6 Y HN 0.169 nan 8.280 nan 0.000 0.524 7 D N 0.090 120.454 120.400 -0.061 0.000 2.104 7 D HA -0.221 4.415 4.640 -0.007 0.000 0.194 7 D C 2.322 178.502 176.300 -0.200 0.000 0.994 7 D CA 1.549 55.488 54.000 -0.101 0.000 0.830 7 D CB -0.696 40.105 40.800 0.001 0.000 0.959 7 D HN 0.463 nan 8.370 nan 0.000 0.452 8 A N 0.784 123.501 122.820 -0.172 0.000 1.883 8 A HA -0.182 4.134 4.320 -0.007 0.000 0.217 8 A C 2.597 180.025 177.584 -0.261 0.000 1.186 8 A CA 1.645 53.576 52.037 -0.177 0.000 0.624 8 A CB -0.900 18.020 19.000 -0.132 0.000 0.822 8 A HN 0.160 nan 8.150 nan 0.000 0.444 9 V N 0.425 120.114 119.914 -0.374 0.000 2.343 9 V HA -0.278 3.837 4.120 -0.007 0.000 0.247 9 V C 2.343 178.110 176.094 -0.545 0.000 1.051 9 V CA 2.562 64.559 62.300 -0.504 0.000 1.036 9 V CB -0.874 30.498 31.823 -0.751 0.000 0.654 9 V HN 0.738 nan 8.190 nan 0.000 0.451 10 D N -0.137 119.891 120.400 -0.620 0.000 2.117 10 D HA -0.195 4.441 4.640 -0.007 0.000 0.197 10 D C 1.794 178.018 176.300 -0.127 0.000 0.987 10 D CA 1.416 55.187 54.000 -0.381 0.000 0.829 10 D CB -0.122 40.503 40.800 -0.291 0.000 0.961 10 D HN 0.387 nan 8.370 nan 0.000 0.460 11 D N -0.395 119.924 120.400 -0.134 0.000 2.092 11 D HA -0.152 4.484 4.640 -0.007 0.000 0.193 11 D C 2.001 178.236 176.300 -0.107 0.000 0.994 11 D CA 0.572 54.527 54.000 -0.076 0.000 0.828 11 D CB -0.480 40.247 40.800 -0.122 0.000 0.963 11 D HN 0.211 nan 8.370 nan 0.000 0.450 12 L N 0.406 121.515 121.223 -0.189 0.000 2.131 12 L HA -0.070 4.266 4.340 -0.007 0.000 0.210 12 L C 1.959 178.773 176.870 -0.093 0.000 1.092 12 L CA 1.279 56.015 54.840 -0.173 0.000 0.759 12 L CB -0.330 41.623 42.059 -0.177 0.000 0.903 12 L HN 0.050 nan 8.230 nan 0.000 0.435 13 L N -1.418 119.672 121.223 -0.222 0.000 2.478 13 L HA -0.065 4.271 4.340 -0.007 0.000 0.223 13 L C 1.177 177.805 176.870 -0.403 0.000 1.140 13 L CA 0.267 54.916 54.840 -0.318 0.000 0.842 13 L CB -0.426 41.338 42.059 -0.492 0.000 0.953 13 L HN 0.368 nan 8.230 nan 0.000 0.452 14 H N -2.283 116.814 119.070 0.044 0.000 2.581 14 H HA 0.149 4.701 4.556 -0.007 0.000 0.275 14 H C -0.534 174.870 175.328 0.128 0.000 1.126 14 H CA -0.482 55.609 56.048 0.072 0.000 1.097 14 H CB 0.315 30.095 29.762 0.031 0.000 1.626 14 H HN 0.045 nan 8.280 nan 0.000 0.565 15 Y N 2.749 123.073 120.300 0.040 0.000 2.402 15 Y HA 0.102 4.648 4.550 -0.007 0.000 0.333 15 Y C 0.482 176.420 175.900 0.063 0.000 1.076 15 Y CA -0.403 57.678 58.100 -0.032 0.000 1.299 15 Y CB -0.135 38.327 38.460 0.003 0.000 1.197 15 Y HN 0.320 nan 8.280 nan 0.000 0.517 16 H N 4.151 123.229 119.070 0.014 0.000 2.750 16 H HA -0.195 4.356 4.556 -0.007 0.000 0.327 16 H C -0.156 175.250 175.328 0.130 0.000 1.199 16 H CA 0.939 56.971 56.048 -0.026 0.000 1.149 16 H CB -1.007 28.622 29.762 -0.221 0.000 1.543 16 H HN 0.752 nan 8.280 nan 0.000 0.427 17 E N 1.350 121.671 120.200 0.200 0.000 2.383 17 E HA 0.361 4.706 4.350 -0.007 0.000 0.264 17 E C 1.179 177.884 176.600 0.175 0.000 1.050 17 E CA -0.291 56.225 56.400 0.193 0.000 0.896 17 E CB 1.448 31.247 29.700 0.164 0.000 0.982 17 E HN 0.546 nan 8.360 nan 0.000 0.424 18 R N 0.040 120.637 120.500 0.160 0.000 2.781 18 R HA 0.673 5.009 4.340 -0.007 0.000 0.269 18 R C 0.174 176.535 176.300 0.101 0.000 1.025 18 R CA -0.388 55.788 56.100 0.127 0.000 0.914 18 R CB 0.872 31.253 30.300 0.134 0.000 1.236 18 R HN 0.683 nan 8.270 nan 0.000 0.465 19 G N 0.903 109.757 108.800 0.090 0.000 2.645 19 G HA2 -0.329 3.627 3.960 -0.007 0.000 0.246 19 G HA3 -0.329 3.627 3.960 -0.007 0.000 0.246 19 G C -0.466 174.468 174.900 0.056 0.000 1.322 19 G CA 0.082 45.222 45.100 0.068 0.000 0.898 19 G HN 0.939 nan 8.290 nan 0.000 0.573 20 N N -0.217 118.503 118.700 0.033 0.000 2.714 20 N HA -0.101 4.635 4.740 -0.007 0.000 0.253 20 N C 1.628 177.157 175.510 0.031 0.000 1.024 20 N CA 2.731 55.798 53.050 0.029 0.000 0.726 20 N CB -1.362 37.148 38.487 0.038 0.000 0.908 20 N HN 2.592 nan 8.380 nan 0.000 0.542 21 G N -0.835 107.983 108.800 0.031 0.000 2.180 21 G HA2 -0.351 3.605 3.960 -0.007 0.000 0.263 21 G HA3 -0.351 3.605 3.960 -0.007 0.000 0.263 21 G C 0.456 175.377 174.900 0.034 0.000 0.989 21 G CA 0.661 45.779 45.100 0.031 0.000 0.692 21 G HN 0.632 nan 8.290 nan 0.000 0.526 22 I N 0.167 120.763 120.570 0.044 0.000 2.779 22 I HA 0.210 4.376 4.170 -0.007 0.000 0.285 22 I C 0.599 176.738 176.117 0.037 0.000 1.134 22 I CA 0.247 61.572 61.300 0.041 0.000 1.398 22 I CB 0.740 38.772 38.000 0.054 0.000 1.404 22 I HN 0.061 nan 8.210 nan 0.000 0.587 23 Q N 6.058 125.873 119.800 0.026 0.000 2.321 23 Q HA 0.626 4.962 4.340 -0.007 0.000 0.270 23 Q C -1.118 174.891 176.000 0.015 0.000 1.032 23 Q CA -0.556 55.255 55.803 0.013 0.000 0.784 23 Q CB 2.945 31.686 28.738 0.005 0.000 1.264 23 Q HN 0.499 nan 8.270 nan 0.000 0.448 24 I N 2.107 122.683 120.570 0.010 0.000 2.619 24 I HA 0.275 4.441 4.170 -0.007 0.000 0.292 24 I C 0.039 176.168 176.117 0.020 0.000 1.100 24 I CA -0.738 60.576 61.300 0.024 0.000 1.043 24 I CB 1.821 39.847 38.000 0.043 0.000 1.239 24 I HN 0.533 nan 8.210 nan 0.000 0.420 25 N N 4.049 122.771 118.700 0.036 0.000 2.693 25 N HA -0.207 4.529 4.740 -0.007 0.000 0.249 25 N C 0.926 176.424 175.510 -0.021 0.000 1.119 25 N CA 1.473 54.552 53.050 0.048 0.000 0.717 25 N CB -1.001 37.590 38.487 0.172 0.000 1.071 25 N HN 1.231 nan 8.380 nan 0.000 0.555 26 G N -1.762 107.020 108.800 -0.029 0.000 2.148 26 G HA2 -0.342 3.614 3.960 -0.007 0.000 0.254 26 G HA3 -0.342 3.614 3.960 -0.007 0.000 0.254 26 G C -0.045 174.807 174.900 -0.081 0.000 0.981 26 G CA 0.960 46.029 45.100 -0.052 0.000 0.670 26 G HN 0.420 nan 8.290 nan 0.000 0.528 27 K N 0.410 120.756 120.400 -0.090 0.000 2.340 27 K HA 0.466 4.782 4.320 -0.007 0.000 0.244 27 K C -0.436 176.115 176.600 -0.082 0.000 0.973 27 K CA -0.971 55.241 56.287 -0.125 0.000 0.828 27 K CB 1.306 33.678 32.500 -0.213 0.000 1.226 27 K HN 0.069 nan 8.250 nan 0.000 0.437 28 D N 0.830 121.180 120.400 -0.084 0.000 2.382 28 D HA -0.016 4.620 4.640 -0.007 0.000 0.240 28 D C -0.008 176.279 176.300 -0.021 0.000 1.146 28 D CA 0.429 54.420 54.000 -0.015 0.000 0.897 28 D CB 0.847 41.681 40.800 0.056 0.000 1.197 28 D HN 0.278 nan 8.370 nan 0.000 0.432 29 S N 1.310 117.054 115.700 0.074 0.000 2.442 29 S HA 0.432 4.898 4.470 -0.007 0.000 0.297 29 S C -0.925 173.833 174.600 0.264 0.000 1.131 29 S CA -0.699 57.559 58.200 0.097 0.000 1.092 29 S CB 0.082 63.326 63.200 0.073 0.000 0.998 29 S HN 0.151 nan 8.310 nan 0.000 0.478 30 F N 2.834 122.741 119.950 -0.072 0.000 2.432 30 F HA 0.513 5.036 4.527 -0.007 0.000 0.329 30 F C 1.162 176.878 175.800 -0.139 0.000 1.076 30 F CA -1.453 56.420 58.000 -0.211 0.000 1.018 30 F CB 1.732 40.375 39.000 -0.595 0.000 1.201 30 F HN 0.715 nan 8.300 nan 0.000 0.489 31 S N 1.280 117.001 115.700 0.035 0.000 2.681 31 S HA 0.153 4.619 4.470 -0.007 0.000 0.270 31 S C 1.188 175.811 174.600 0.038 0.000 1.209 31 S CA -0.470 57.752 58.200 0.036 0.000 0.988 31 S CB 0.710 63.908 63.200 -0.003 0.000 1.006 31 S HN 0.746 nan 8.310 nan 0.000 0.558 32 N N 0.613 119.368 118.700 0.091 0.000 2.094 32 N HA -0.256 4.480 4.740 -0.007 0.000 0.191 32 N C 1.637 177.176 175.510 0.047 0.000 1.023 32 N CA 1.783 54.904 53.050 0.118 0.000 0.857 32 N CB -0.237 38.335 38.487 0.143 0.000 1.013 32 N HN 0.851 nan 8.380 nan 0.000 0.426 33 E N 0.235 120.432 120.200 -0.004 0.000 2.072 33 E HA -0.180 4.165 4.350 -0.007 0.000 0.191 33 E C 2.026 178.546 176.600 -0.135 0.000 0.985 33 E CA 0.923 57.285 56.400 -0.062 0.000 0.801 33 E CB 0.086 29.744 29.700 -0.071 0.000 0.750 33 E HN 0.515 nan 8.360 nan 0.000 0.452 34 Q N -0.088 119.596 119.800 -0.193 0.000 2.079 34 Q HA -0.115 4.221 4.340 -0.007 0.000 0.200 34 Q C 2.187 178.039 176.000 -0.247 0.000 0.974 34 Q CA 1.309 56.899 55.803 -0.355 0.000 0.840 34 Q CB -0.132 28.195 28.738 -0.684 0.000 0.898 34 Q HN 0.273 nan 8.270 nan 0.000 0.430 35 A N 0.973 123.707 122.820 -0.143 0.000 1.933 35 A HA -0.131 4.185 4.320 -0.007 0.000 0.218 35 A C 2.268 179.913 177.584 0.102 0.000 1.175 35 A CA 1.673 53.670 52.037 -0.067 0.000 0.628 35 A CB -1.187 17.831 19.000 0.030 0.000 0.814 35 A HN 0.486 nan 8.150 nan 0.000 0.444 36 G N -0.266 108.562 108.800 0.046 0.000 2.418 36 G HA2 -0.144 3.812 3.960 -0.007 0.000 0.217 36 G HA3 -0.144 3.812 3.960 -0.007 0.000 0.217 36 G C 1.546 176.427 174.900 -0.031 0.000 1.158 36 G CA 1.032 46.156 45.100 0.039 0.000 0.771 36 G HN 0.436 nan 8.290 nan 0.000 0.545 37 L N -1.009 120.137 121.223 -0.129 0.000 2.093 37 L HA 0.093 4.429 4.340 -0.007 0.000 0.208 37 L C 2.513 179.364 176.870 -0.032 0.000 1.085 37 L CA 0.548 55.262 54.840 -0.210 0.000 0.755 37 L CB -0.320 41.565 42.059 -0.290 0.000 0.904 37 L HN 0.187 nan 8.230 nan 0.000 0.435 38 F N 0.601 120.504 119.950 -0.079 0.000 2.186 38 F HA -0.157 4.366 4.527 -0.007 0.000 0.299 38 F C 2.208 178.058 175.800 0.083 0.000 1.090 38 F CA 1.275 59.296 58.000 0.035 0.000 1.307 38 F CB -0.113 38.976 39.000 0.148 0.000 1.019 38 F HN -0.096 nan 8.300 nan 0.000 0.489 39 I N -0.272 120.383 120.570 0.142 0.000 2.614 39 I HA -0.219 3.947 4.170 -0.007 0.000 0.258 39 I C 1.484 177.582 176.117 -0.033 0.000 1.189 39 I CA 1.599 62.947 61.300 0.079 0.000 1.462 39 I CB -0.527 37.578 38.000 0.176 0.000 1.092 39 I HN 0.218 nan 8.210 nan 0.000 0.442 40 T N -2.262 112.260 114.554 -0.054 0.000 3.243 40 T HA 0.151 4.497 4.350 -0.007 0.000 0.264 40 T C 1.489 176.135 174.700 -0.089 0.000 1.000 40 T CA -0.637 61.423 62.100 -0.067 0.000 0.901 40 T CB -0.286 68.546 68.868 -0.060 0.000 1.083 40 T HN 0.398 nan 8.240 nan 0.000 0.559 41 R N 0.751 121.152 120.500 -0.166 0.000 2.193 41 R HA -0.027 4.309 4.340 -0.007 0.000 0.229 41 R C 1.595 177.852 176.300 -0.072 0.000 1.110 41 R CA 1.122 57.124 56.100 -0.163 0.000 0.988 41 R CB -0.427 29.658 30.300 -0.357 0.000 0.871 41 R HN 0.273 nan 8.270 nan 0.000 0.458 42 E N 1.271 121.437 120.200 -0.056 0.000 2.338 42 E HA -0.090 4.255 4.350 -0.007 0.000 0.197 42 E C -0.102 176.545 176.600 0.079 0.000 1.007 42 E CA 0.754 57.157 56.400 0.005 0.000 0.849 42 E CB -0.235 29.454 29.700 -0.019 0.000 0.774 42 E HN 0.558 nan 8.360 nan 0.000 0.506 43 N N -0.472 118.275 118.700 0.079 0.000 2.753 43 N HA -0.200 4.535 4.740 -0.007 0.000 0.251 43 N C -0.858 174.657 175.510 0.008 0.000 1.097 43 N CA 0.411 53.526 53.050 0.108 0.000 0.786 43 N CB -0.449 37.946 38.487 -0.154 0.000 1.137 43 N HN 0.111 nan 8.380 nan 0.000 0.566 44 Q N 0.806 120.643 119.800 0.061 0.000 2.331 44 Q HA 0.338 4.674 4.340 -0.007 0.000 0.257 44 Q C 0.353 176.322 176.000 -0.051 0.000 0.957 44 Q CA 0.112 55.926 55.803 0.018 0.000 0.923 44 Q CB 1.597 30.332 28.738 -0.006 0.000 1.212 44 Q HN 0.375 nan 8.270 nan 0.000 0.443 45 T N -2.444 112.063 114.554 -0.079 0.000 2.916 45 T HA 0.399 4.745 4.350 -0.007 0.000 0.292 45 T C 0.316 175.005 174.700 -0.018 0.000 1.064 45 T CA -0.740 61.345 62.100 -0.025 0.000 1.011 45 T CB 0.644 69.479 68.868 -0.054 0.000 1.152 45 T HN 0.636 nan 8.240 nan 0.000 0.510 46 W N 0.912 122.363 121.300 0.251 0.000 2.611 46 W HA 0.139 4.796 4.660 -0.007 0.000 0.251 46 W C 1.658 178.244 176.519 0.111 0.000 1.265 46 W CA 0.321 57.755 57.345 0.148 0.000 1.295 46 W CB -0.418 29.093 29.460 0.084 0.000 1.129 46 W HN 0.741 nan 8.180 nan 0.000 0.630 47 N N -0.897 117.980 118.700 0.294 0.000 2.280 47 N HA 0.311 5.046 4.740 -0.007 0.000 0.192 47 N C 0.356 175.896 175.510 0.051 0.000 1.109 47 N CA 0.523 53.670 53.050 0.162 0.000 0.855 47 N CB 0.572 39.145 38.487 0.144 0.000 0.974 47 N HN 0.028 nan 8.380 nan 0.000 0.482 48 G N 0.145 108.954 108.800 0.016 0.000 2.357 48 G HA2 -0.161 3.795 3.960 -0.007 0.000 0.643 48 G HA3 -0.161 3.795 3.960 -0.007 0.000 0.643 48 G C -1.779 173.086 174.900 -0.058 0.000 1.358 48 G CA -1.102 43.988 45.100 -0.017 0.000 0.986 48 G HN 0.084 nan 8.290 nan 0.000 0.620 49 Y N 1.799 122.002 120.300 -0.161 0.000 2.544 49 Y HA 0.404 4.950 4.550 -0.007 0.000 0.330 49 Y C 1.633 177.353 175.900 -0.299 0.000 1.136 49 Y CA 1.342 59.329 58.100 -0.189 0.000 1.417 49 Y CB 0.364 38.746 38.460 -0.130 0.000 1.229 49 Y HN 0.850 nan 8.280 nan 0.000 0.532 50 K N 2.277 122.129 120.400 -0.914 0.000 3.209 50 K HA -0.153 4.163 4.320 -0.007 0.000 0.289 50 K C -0.883 174.967 176.600 -1.249 0.000 1.191 50 K CA 0.756 56.283 56.287 -1.266 0.000 0.851 50 K CB -1.806 30.157 32.500 -0.896 0.000 1.242 50 K HN 0.348 nan 8.250 nan 0.000 0.480 51 V N 2.583 121.959 119.914 -0.896 0.000 2.320 51 V HA 0.315 4.431 4.120 -0.007 0.000 0.265 51 V C -0.041 175.737 176.094 -0.527 0.000 1.048 51 V CA -0.179 61.794 62.300 -0.544 0.000 0.865 51 V CB -0.122 31.558 31.823 -0.237 0.000 1.043 51 V HN 0.047 nan 8.190 nan 0.000 0.474 52 F N 1.655 121.476 119.950 -0.215 0.000 2.470 52 F HA 0.746 5.269 4.527 -0.007 0.000 0.329 52 F C 1.280 176.945 175.800 -0.225 0.000 1.072 52 F CA -0.726 57.075 58.000 -0.332 0.000 0.989 52 F CB 1.460 40.169 39.000 -0.485 0.000 1.193 52 F HN 0.584 nan 8.300 nan 0.000 0.481 53 G N 0.863 109.646 108.800 -0.029 0.000 2.148 53 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.254 53 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.254 53 G C -0.088 174.842 174.900 0.051 0.000 0.981 53 G CA -0.343 44.759 45.100 0.003 0.000 0.670 53 G HN 0.480 nan 8.290 nan 0.000 0.528 54 Q N 0.582 120.426 119.800 0.074 0.000 2.230 54 Q HA 0.474 4.810 4.340 -0.007 0.000 0.253 54 Q C -2.206 173.903 176.000 0.181 0.000 0.919 54 Q CA -1.903 53.962 55.803 0.103 0.000 0.908 54 Q CB 2.212 31.002 28.738 0.087 0.000 1.245 54 Q HN 0.329 nan 8.270 nan 0.000 0.437 55 P HA 0.254 nan 4.420 nan 0.000 0.274 55 P C -0.632 176.694 177.300 0.043 0.000 1.256 55 P CA -0.310 62.840 63.100 0.084 0.000 0.795 55 P CB 1.086 32.807 31.700 0.035 0.000 1.038 56 V N 0.356 120.209 119.914 -0.102 0.000 3.120 56 V HA 0.406 4.522 4.120 -0.007 0.000 0.303 56 V C -1.337 174.589 176.094 -0.281 0.000 1.238 56 V CA -0.840 61.351 62.300 -0.182 0.000 1.008 56 V CB 2.508 34.145 31.823 -0.310 0.000 1.064 56 V HN 0.593 nan 8.190 nan 0.000 0.434 57 K N 6.393 126.653 120.400 -0.233 0.000 2.502 57 K HA 0.743 5.058 4.320 -0.007 0.000 0.254 57 K C -1.554 174.893 176.600 -0.255 0.000 0.947 57 K CA -0.656 55.487 56.287 -0.240 0.000 0.834 57 K CB 2.141 34.563 32.500 -0.130 0.000 1.112 57 K HN 0.479 nan 8.250 nan 0.000 0.427 58 L N 1.580 122.618 121.223 -0.310 0.000 2.319 58 L HA 0.535 4.870 4.340 -0.007 0.000 0.267 58 L C 0.300 177.169 176.870 -0.001 0.000 1.011 58 L CA -0.935 53.751 54.840 -0.256 0.000 0.818 58 L CB 2.188 44.020 42.059 -0.378 0.000 1.316 58 L HN 0.770 nan 8.230 nan 0.000 0.432 59 T N -1.355 113.182 114.554 -0.030 0.000 2.940 59 T HA 0.793 5.139 4.350 -0.007 0.000 0.288 59 T C -0.686 174.088 174.700 0.124 0.000 1.033 59 T CA -0.584 61.543 62.100 0.045 0.000 1.033 59 T CB 1.773 70.605 68.868 -0.060 0.000 1.079 59 T HN 0.433 nan 8.240 nan 0.000 0.496 60 F N -0.894 119.011 119.950 -0.075 0.000 2.645 60 F HA 0.852 5.375 4.527 -0.008 0.000 0.310 60 F C -0.753 174.928 175.800 -0.199 0.000 1.102 60 F CA -0.913 57.000 58.000 -0.144 0.000 0.952 60 F CB 1.476 40.406 39.000 -0.116 0.000 1.326 60 F HN 0.998 nan 8.300 nan 0.000 0.456 61 S N 0.495 116.028 115.700 -0.278 0.000 2.615 61 S HA 0.762 5.227 4.470 -0.007 0.000 0.269 61 S C -1.837 172.456 174.600 -0.511 0.000 1.161 61 S CA -0.858 57.100 58.200 -0.403 0.000 0.817 61 S CB 1.547 64.615 63.200 -0.220 0.000 1.131 61 S HN 0.645 nan 8.310 nan 0.000 0.467 62 F N 1.085 121.011 119.950 -0.039 0.000 2.451 62 F HA 0.498 5.021 4.527 -0.007 0.000 0.367 62 F C -2.648 173.069 175.800 -0.138 0.000 1.100 62 F CA -1.891 56.071 58.000 -0.063 0.000 1.171 62 F CB 0.990 39.975 39.000 -0.026 0.000 1.405 62 F HN 0.282 nan 8.300 nan 0.000 0.482 63 P HA -0.057 nan 4.420 nan 0.000 0.268 63 P C -0.159 176.870 177.300 -0.452 0.000 1.208 63 P CA -0.051 62.794 63.100 -0.424 0.000 0.777 63 P CB 0.752 31.985 31.700 -0.778 0.000 0.875 64 D N 1.973 122.197 120.400 -0.294 0.000 2.558 64 D HA 0.087 4.723 4.640 -0.007 0.000 0.221 64 D C -0.398 175.854 176.300 -0.081 0.000 1.143 64 D CA -0.108 53.826 54.000 -0.109 0.000 1.010 64 D CB -0.464 40.320 40.800 -0.027 0.000 1.068 64 D HN 0.220 nan 8.370 nan 0.000 0.511 65 Y N 1.568 121.969 120.300 0.167 0.000 2.425 65 Y HA 0.016 4.561 4.550 -0.007 0.000 0.331 65 Y C 1.265 177.278 175.900 0.189 0.000 1.157 65 Y CA -0.281 57.936 58.100 0.196 0.000 1.372 65 Y CB 0.528 39.152 38.460 0.273 0.000 1.253 65 Y HN 0.143 nan 8.280 nan 0.000 0.536 66 K N 2.828 123.423 120.400 0.326 0.000 2.205 66 K HA 0.190 4.505 4.320 -0.007 0.000 0.279 66 K C 0.475 177.246 176.600 0.285 0.000 1.027 66 K CA -0.493 55.953 56.287 0.265 0.000 0.932 66 K CB 0.446 33.062 32.500 0.193 0.000 1.032 66 K HN 0.590 nan 8.250 nan 0.000 0.466 67 F N 3.014 123.055 119.950 0.153 0.000 2.111 67 F HA -0.277 4.246 4.527 -0.007 0.000 0.300 67 F C 1.507 177.362 175.800 0.092 0.000 1.088 67 F CA 2.103 60.181 58.000 0.129 0.000 1.243 67 F CB 0.067 39.132 39.000 0.108 0.000 0.996 67 F HN 0.684 nan 8.300 nan 0.000 0.483 68 S N -0.626 115.204 115.700 0.217 0.000 2.593 68 S HA 0.071 4.537 4.470 -0.007 0.000 0.217 68 S C 0.833 175.450 174.600 0.028 0.000 0.966 68 S CA 0.083 58.342 58.200 0.099 0.000 0.914 68 S CB -0.254 63.034 63.200 0.147 0.000 0.776 68 S HN 0.176 nan 8.310 nan 0.000 0.523 69 S N 1.606 117.331 115.700 0.041 0.000 2.617 69 S HA 0.369 4.835 4.470 -0.007 0.000 0.259 69 S C 0.332 174.898 174.600 -0.058 0.000 1.301 69 S CA -0.149 58.067 58.200 0.027 0.000 0.984 69 S CB 0.750 64.009 63.200 0.099 0.000 0.954 69 S HN 0.247 nan 8.310 nan 0.000 0.572 70 T N 2.232 116.741 114.554 -0.075 0.000 2.916 70 T HA 0.435 4.780 4.350 -0.007 0.000 0.298 70 T C -0.355 174.231 174.700 -0.191 0.000 1.031 70 T CA -0.989 61.020 62.100 -0.152 0.000 0.993 70 T CB 1.154 69.954 68.868 -0.114 0.000 1.045 70 T HN 0.716 nan 8.240 nan 0.000 0.454 71 N N 1.069 119.555 118.700 -0.358 0.000 2.448 71 N HA 0.223 4.959 4.740 -0.007 0.000 0.274 71 N C 1.704 177.039 175.510 -0.292 0.000 1.239 71 N CA -0.686 52.105 53.050 -0.431 0.000 0.982 71 N CB -0.159 37.697 38.487 -1.051 0.000 1.199 71 N HN 0.358 nan 8.380 nan 0.000 0.576 72 V N -3.916 115.863 119.914 -0.225 0.000 2.568 72 V HA -0.096 4.019 4.120 -0.007 0.000 0.253 72 V C 1.784 177.751 176.094 -0.213 0.000 1.072 72 V CA 1.935 64.135 62.300 -0.165 0.000 1.084 72 V CB -1.667 30.034 31.823 -0.202 0.000 0.676 72 V HN 0.759 nan 8.190 nan 0.000 0.469 73 A N 0.011 122.669 122.820 -0.269 0.000 2.238 73 A HA 0.467 4.783 4.320 -0.007 0.000 0.208 73 A C 2.037 179.436 177.584 -0.308 0.000 1.177 73 A CA 0.925 52.770 52.037 -0.319 0.000 0.804 73 A CB -0.900 17.823 19.000 -0.461 0.000 0.823 73 A HN 1.831 nan 8.150 nan 0.000 0.482 74 G N -0.496 108.147 108.800 -0.263 0.000 2.136 74 G HA2 -0.189 3.767 3.960 -0.007 0.000 0.242 74 G HA3 -0.189 3.767 3.960 -0.007 0.000 0.242 74 G C -0.397 174.355 174.900 -0.247 0.000 0.989 74 G CA 0.206 45.178 45.100 -0.213 0.000 0.682 74 G HN 0.486 nan 8.290 nan 0.000 0.522 75 D N -0.143 120.051 120.400 -0.343 0.000 2.193 75 D HA 0.702 5.337 4.640 -0.007 0.000 0.249 75 D C 0.437 176.563 176.300 -0.291 0.000 1.034 75 D CA 0.568 54.360 54.000 -0.346 0.000 0.902 75 D CB 1.915 42.364 40.800 -0.586 0.000 1.182 75 D HN 0.145 nan 8.370 nan 0.000 0.436 76 T N -1.633 112.794 114.554 -0.211 0.000 2.716 76 T HA 0.543 4.888 4.350 -0.007 0.000 0.286 76 T C 0.038 174.545 174.700 -0.321 0.000 1.052 76 T CA 0.208 62.163 62.100 -0.241 0.000 1.024 76 T CB 1.130 69.869 68.868 -0.215 0.000 1.349 76 T HN 0.533 nan 8.240 nan 0.000 0.525 77 G N 1.310 109.722 108.800 -0.646 0.000 2.256 77 G HA2 -0.148 3.808 3.960 -0.007 0.000 0.272 77 G HA3 -0.148 3.808 3.960 -0.007 0.000 0.272 77 G C -0.005 174.525 174.900 -0.617 0.000 1.076 77 G CA 0.464 44.775 45.100 -1.315 0.000 0.882 77 G HN 0.697 nan 8.290 nan 0.000 0.497 78 L N -0.113 120.925 121.223 -0.310 0.000 2.475 78 L HA 0.719 5.054 4.340 -0.007 0.000 0.253 78 L C 1.025 178.068 176.870 0.289 0.000 1.198 78 L CA 0.203 55.096 54.840 0.089 0.000 0.814 78 L CB 1.114 43.251 42.059 0.129 0.000 1.134 78 L HN 0.754 nan 8.230 nan 0.000 0.478 79 S N -1.075 114.876 115.700 0.419 0.000 2.597 79 S HA 0.285 4.751 4.470 -0.007 0.000 0.274 79 S C -1.134 173.774 174.600 0.513 0.000 1.132 79 S CA -1.183 57.283 58.200 0.442 0.000 0.835 79 S CB 1.637 65.064 63.200 0.379 0.000 1.092 79 S HN 0.589 nan 8.310 nan 0.000 0.457 80 K N 0.232 120.873 120.400 0.401 0.000 2.202 80 K HA 0.400 4.716 4.320 -0.007 0.000 0.264 80 K C -0.957 175.892 176.600 0.415 0.000 1.010 80 K CA -0.556 55.945 56.287 0.355 0.000 0.940 80 K CB 0.237 32.859 32.500 0.204 0.000 0.983 80 K HN 0.509 nan 8.250 nan 0.000 0.475 81 F N 2.173 122.232 119.950 0.183 0.000 2.538 81 F HA -0.031 4.492 4.527 -0.007 0.000 0.371 81 F C 1.097 176.871 175.800 -0.044 0.000 1.087 81 F CA -0.135 57.903 58.000 0.063 0.000 1.250 81 F CB 0.452 39.472 39.000 0.033 0.000 1.110 81 F HN 0.577 nan 8.300 nan 0.000 0.570 82 S N 2.971 118.678 115.700 0.011 0.000 2.617 82 S HA 0.410 4.875 4.470 -0.007 0.000 0.255 82 S C 1.225 175.751 174.600 -0.123 0.000 1.318 82 S CA -0.318 57.853 58.200 -0.049 0.000 0.978 82 S CB 0.725 63.881 63.200 -0.074 0.000 0.961 82 S HN 0.740 nan 8.310 nan 0.000 0.582 83 A N 0.111 122.871 122.820 -0.101 0.000 1.902 83 A HA -0.092 4.224 4.320 -0.007 0.000 0.217 83 A C 2.194 179.696 177.584 -0.136 0.000 1.181 83 A CA 1.715 53.678 52.037 -0.123 0.000 0.623 83 A CB -1.269 17.686 19.000 -0.076 0.000 0.818 83 A HN 1.004 nan 8.150 nan 0.000 0.443 84 E N -0.290 119.845 120.200 -0.107 0.000 2.051 84 E HA -0.262 4.084 4.350 -0.007 0.000 0.192 84 E C 2.172 178.689 176.600 -0.138 0.000 0.991 84 E CA 1.446 57.791 56.400 -0.093 0.000 0.799 84 E CB -0.204 29.469 29.700 -0.045 0.000 0.748 84 E HN 0.751 nan 8.360 nan 0.000 0.449 85 Q N -0.043 119.616 119.800 -0.236 0.000 2.084 85 Q HA -0.217 4.119 4.340 -0.007 0.000 0.202 85 Q C 2.328 178.158 176.000 -0.283 0.000 0.978 85 Q CA 1.701 57.279 55.803 -0.375 0.000 0.844 85 Q CB -0.062 28.062 28.738 -1.023 0.000 0.898 85 Q HN 0.425 nan 8.270 nan 0.000 0.426 86 Q N 0.290 119.891 119.800 -0.330 0.000 2.119 86 Q HA -0.213 4.123 4.340 -0.007 0.000 0.201 86 Q C 2.157 178.006 176.000 -0.251 0.000 0.972 86 Q CA 1.235 56.718 55.803 -0.534 0.000 0.847 86 Q CB -0.112 28.127 28.738 -0.831 0.000 0.903 86 Q HN 0.407 nan 8.270 nan 0.000 0.433 87 Q N 0.521 120.228 119.800 -0.154 0.000 2.020 87 Q HA -0.229 4.106 4.340 -0.007 0.000 0.202 87 Q C 2.033 178.025 176.000 -0.012 0.000 0.982 87 Q CA 1.195 56.959 55.803 -0.066 0.000 0.838 87 Q CB 0.096 28.799 28.738 -0.058 0.000 0.899 87 Q HN 0.313 nan 8.270 nan 0.000 0.423 88 Q N -0.014 119.789 119.800 0.005 0.000 2.124 88 Q HA -0.102 4.234 4.340 -0.007 0.000 0.202 88 Q C 2.019 178.120 176.000 0.168 0.000 0.977 88 Q CA 1.452 57.292 55.803 0.062 0.000 0.850 88 Q CB -0.436 28.302 28.738 -0.001 0.000 0.901 88 Q HN 0.528 nan 8.270 nan 0.000 0.429 89 A N 1.248 124.175 122.820 0.178 0.000 1.933 89 A HA -0.173 4.143 4.320 -0.007 0.000 0.218 89 A C 2.058 179.603 177.584 -0.065 0.000 1.175 89 A CA 1.399 53.461 52.037 0.043 0.000 0.628 89 A CB -0.276 18.515 19.000 -0.349 0.000 0.814 89 A HN 0.233 nan 8.150 nan 0.000 0.444 90 K N -0.509 119.876 120.400 -0.025 0.000 2.217 90 K HA 0.082 4.398 4.320 -0.007 0.000 0.202 90 K C 1.702 178.301 176.600 -0.001 0.000 1.051 90 K CA 0.805 57.068 56.287 -0.040 0.000 0.952 90 K CB -0.230 32.319 32.500 0.082 0.000 0.736 90 K HN 0.478 nan 8.250 nan 0.000 0.453 91 L N 0.195 121.445 121.223 0.045 0.000 2.109 91 L HA -0.127 4.208 4.340 -0.007 0.000 0.207 91 L C 2.282 179.199 176.870 0.079 0.000 1.086 91 L CA 0.905 55.796 54.840 0.086 0.000 0.760 91 L CB -0.289 41.829 42.059 0.099 0.000 0.910 91 L HN 0.077 nan 8.230 nan 0.000 0.437 92 S N 0.225 115.966 115.700 0.069 0.000 2.355 92 S HA -0.106 4.359 4.470 -0.007 0.000 0.222 92 S C 2.002 176.670 174.600 0.115 0.000 1.031 92 S CA 1.066 59.309 58.200 0.073 0.000 0.993 92 S CB -0.257 63.067 63.200 0.207 0.000 0.859 92 S HN 0.252 nan 8.310 nan 0.000 0.453 93 L N 1.404 122.633 121.223 0.010 0.000 2.012 93 L HA -0.233 4.102 4.340 -0.007 0.000 0.210 93 L C 2.852 179.780 176.870 0.097 0.000 1.073 93 L CA 1.645 56.371 54.840 -0.189 0.000 0.748 93 L CB -0.537 41.067 42.059 -0.758 0.000 0.891 93 L HN 0.408 nan 8.230 nan 0.000 0.431 94 Q N -0.003 119.859 119.800 0.104 0.000 2.096 94 Q HA -0.230 4.106 4.340 -0.007 0.000 0.204 94 Q C 2.274 178.412 176.000 0.231 0.000 0.982 94 Q CA 2.230 58.157 55.803 0.207 0.000 0.850 94 Q CB -0.020 28.818 28.738 0.166 0.000 0.901 94 Q HN 0.613 nan 8.270 nan 0.000 0.422 95 S N -1.150 114.633 115.700 0.138 0.000 2.419 95 S HA -0.159 4.307 4.470 -0.007 0.000 0.233 95 S C 1.326 175.914 174.600 -0.019 0.000 1.016 95 S CA 0.946 59.163 58.200 0.027 0.000 0.974 95 S CB -0.668 62.334 63.200 -0.331 0.000 0.786 95 S HN 0.573 nan 8.310 nan 0.000 0.492 96 W N 1.620 123.010 121.300 0.149 0.000 2.494 96 W HA 0.388 5.044 4.660 -0.007 0.000 0.286 96 W C 2.893 179.520 176.519 0.180 0.000 1.218 96 W CA 0.195 57.642 57.345 0.170 0.000 1.313 96 W CB -0.359 29.243 29.460 0.235 0.000 1.105 96 W HN 0.355 nan 8.180 nan 0.000 0.561 97 A N 0.113 123.221 122.820 0.481 0.000 2.015 97 A HA -0.183 4.133 4.320 -0.007 0.000 0.219 97 A C 1.533 179.243 177.584 0.210 0.000 1.163 97 A CA 1.960 54.169 52.037 0.288 0.000 0.646 97 A CB -0.647 18.544 19.000 0.319 0.000 0.806 97 A HN 0.118 nan 8.150 nan 0.000 0.448 98 D N -0.329 120.211 120.400 0.233 0.000 2.117 98 D HA -0.121 4.515 4.640 -0.007 0.000 0.197 98 D C 2.189 178.623 176.300 0.225 0.000 0.987 98 D CA 1.926 56.075 54.000 0.248 0.000 0.829 98 D CB -0.174 40.799 40.800 0.289 0.000 0.961 98 D HN 0.457 nan 8.370 nan 0.000 0.460 99 V N -2.257 117.707 119.914 0.083 0.000 2.725 99 V HA 0.418 4.533 4.120 -0.007 0.000 0.247 99 V C 0.885 176.800 176.094 -0.298 0.000 1.058 99 V CA 0.708 62.847 62.300 -0.268 0.000 1.080 99 V CB -0.330 31.371 31.823 -0.203 0.000 0.713 99 V HN 0.105 nan 8.190 nan 0.000 0.465 100 A N 0.338 123.145 122.820 -0.022 0.000 2.387 100 A HA 0.638 4.953 4.320 -0.007 0.000 0.303 100 A C -0.342 177.267 177.584 0.042 0.000 1.145 100 A CA -0.792 51.256 52.037 0.017 0.000 0.801 100 A CB 0.522 19.606 19.000 0.141 0.000 1.342 100 A HN 0.417 nan 8.150 nan 0.000 0.440 101 N N 0.328 119.059 118.700 0.052 0.000 3.103 101 N HA 0.333 5.069 4.740 -0.007 0.000 0.305 101 N C -1.068 174.390 175.510 -0.087 0.000 1.232 101 N CA 0.299 53.360 53.050 0.017 0.000 1.190 101 N CB -0.349 38.168 38.487 0.049 0.000 1.461 101 N HN 0.487 nan 8.380 nan 0.000 0.538 102 I N 0.266 120.728 120.570 -0.181 0.000 2.474 102 I HA 0.304 4.470 4.170 -0.007 0.000 0.294 102 I C -0.211 175.627 176.117 -0.464 0.000 1.005 102 I CA -0.754 60.271 61.300 -0.458 0.000 1.113 102 I CB 2.061 39.662 38.000 -0.664 0.000 1.289 102 I HN 0.061 nan 8.210 nan 0.000 0.436 103 T N 5.153 119.398 114.554 -0.514 0.000 2.833 103 T HA 0.543 4.888 4.350 -0.007 0.000 0.297 103 T C -0.636 173.854 174.700 -0.349 0.000 1.015 103 T CA -0.441 61.474 62.100 -0.309 0.000 0.963 103 T CB 0.401 69.182 68.868 -0.146 0.000 0.955 103 T HN 0.075 nan 8.240 nan 0.000 0.449 104 F N 2.468 122.436 119.950 0.031 0.000 2.421 104 F HA 0.626 5.148 4.527 -0.008 0.000 0.337 104 F C 1.045 176.970 175.800 0.209 0.000 1.105 104 F CA -0.791 57.273 58.000 0.107 0.000 1.049 104 F CB 1.733 40.782 39.000 0.082 0.000 1.139 104 F HN 0.512 nan 8.300 nan 0.000 0.479 105 T N -0.565 114.229 114.554 0.400 0.000 2.928 105 T HA 0.346 4.692 4.350 -0.007 0.000 0.296 105 T C -0.866 173.807 174.700 -0.045 0.000 1.000 105 T CA -0.982 61.233 62.100 0.193 0.000 0.989 105 T CB 1.521 70.430 68.868 0.068 0.000 1.005 105 T HN 0.651 nan 8.240 nan 0.000 0.442 106 E N 2.335 122.331 120.200 -0.340 0.000 2.316 106 E HA 0.447 4.793 4.350 -0.007 0.000 0.275 106 E C 0.112 176.475 176.600 -0.395 0.000 1.029 106 E CA -0.775 55.104 56.400 -0.868 0.000 0.871 106 E CB 0.765 29.961 29.700 -0.840 0.000 1.022 106 E HN 0.689 nan 8.360 nan 0.000 0.418 107 V N 1.135 120.830 119.914 -0.365 0.000 2.881 107 V HA 0.791 4.907 4.120 -0.007 0.000 0.316 107 V C 0.122 176.118 176.094 -0.164 0.000 1.070 107 V CA -0.841 61.342 62.300 -0.194 0.000 0.976 107 V CB 1.331 33.068 31.823 -0.144 0.000 1.038 107 V HN 0.802 nan 8.190 nan 0.000 0.446 108 A N 2.045 124.805 122.820 -0.100 0.000 2.445 108 A HA 0.662 4.977 4.320 -0.007 0.000 0.242 108 A C 0.883 178.428 177.584 -0.066 0.000 1.075 108 A CA 0.164 52.160 52.037 -0.068 0.000 0.777 108 A CB -0.148 18.825 19.000 -0.046 0.000 1.013 108 A HN 2.293 nan 8.150 nan 0.000 0.493 109 A N 1.056 123.850 122.820 -0.044 0.000 2.537 109 A HA 0.475 4.791 4.320 -0.007 0.000 0.260 109 A C 1.465 179.014 177.584 -0.059 0.000 1.082 109 A CA 0.867 52.870 52.037 -0.056 0.000 0.765 109 A CB -1.003 17.976 19.000 -0.035 0.000 1.019 109 A HN 2.655 nan 8.150 nan 0.000 0.507 110 G N 1.504 110.263 108.800 -0.069 0.000 2.336 110 G HA2 -0.129 3.827 3.960 -0.007 0.000 0.194 110 G HA3 -0.129 3.827 3.960 -0.007 0.000 0.194 110 G C 0.119 174.995 174.900 -0.039 0.000 0.999 110 G CA -0.033 45.039 45.100 -0.048 0.000 0.669 110 G HN 0.776 nan 8.290 nan 0.000 0.482 111 Q N 0.533 120.303 119.800 -0.049 0.000 2.227 111 Q HA 0.436 4.772 4.340 -0.007 0.000 0.245 111 Q C -0.242 175.732 176.000 -0.043 0.000 0.926 111 Q CA -0.591 55.186 55.803 -0.044 0.000 0.895 111 Q CB 1.575 30.280 28.738 -0.056 0.000 1.230 111 Q HN 0.066 nan 8.270 nan 0.000 0.450 112 K N 1.435 121.818 120.400 -0.028 0.000 2.383 112 K HA 0.344 4.659 4.320 -0.007 0.000 0.286 112 K C -1.124 175.456 176.600 -0.034 0.000 1.051 112 K CA 0.130 56.407 56.287 -0.016 0.000 0.974 112 K CB 0.250 32.750 32.500 0.001 0.000 0.968 112 K HN 0.704 nan 8.250 nan 0.000 0.475 113 A N 4.216 127.013 122.820 -0.038 0.000 2.380 113 A HA 0.385 4.701 4.320 -0.007 0.000 0.315 113 A C 0.519 178.072 177.584 -0.051 0.000 1.101 113 A CA -0.743 51.257 52.037 -0.063 0.000 0.771 113 A CB 0.925 19.871 19.000 -0.090 0.000 1.287 113 A HN 0.774 nan 8.150 nan 0.000 0.436 114 N N 0.090 118.716 118.700 -0.123 0.000 2.109 114 N HA 0.048 4.784 4.740 -0.007 0.000 0.188 114 N C -0.050 175.397 175.510 -0.105 0.000 1.034 114 N CA 1.213 54.127 53.050 -0.227 0.000 0.846 114 N CB -0.117 37.916 38.487 -0.756 0.000 1.010 114 N HN 0.669 nan 8.380 nan 0.000 0.425 115 I N 0.489 120.978 120.570 -0.135 0.000 2.404 115 I HA 0.290 4.456 4.170 -0.007 0.000 0.293 115 I C -0.324 175.659 176.117 -0.223 0.000 0.992 115 I CA -0.676 60.528 61.300 -0.159 0.000 1.149 115 I CB 1.786 39.665 38.000 -0.202 0.000 1.315 115 I HN 0.093 nan 8.210 nan 0.000 0.446 116 T N 1.933 116.258 114.554 -0.382 0.000 2.906 116 T HA 0.720 5.066 4.350 -0.007 0.000 0.295 116 T C -0.909 173.364 174.700 -0.711 0.000 1.075 116 T CA -0.679 61.195 62.100 -0.377 0.000 1.005 116 T CB 1.741 70.499 68.868 -0.183 0.000 1.136 116 T HN 0.166 nan 8.240 nan 0.000 0.498 117 F N -0.053 119.534 119.950 -0.605 0.000 2.551 117 F HA 0.850 5.373 4.527 -0.006 0.000 0.316 117 F C 0.693 176.037 175.800 -0.759 0.000 1.089 117 F CA -0.497 57.004 58.000 -0.833 0.000 0.915 117 F CB 2.700 40.886 39.000 -1.357 0.000 1.186 117 F HN 1.169 nan 8.300 nan 0.000 0.456 118 G N 1.659 110.117 108.800 -0.569 0.000 2.673 118 G HA2 0.374 4.329 3.960 -0.007 0.000 0.292 118 G HA3 0.374 4.329 3.960 -0.007 0.000 0.292 118 G C -1.903 173.128 174.900 0.219 0.000 1.450 118 G CA -0.969 44.018 45.100 -0.187 0.000 0.837 118 G HN 0.466 nan 8.290 nan 0.000 0.505 119 N N -0.735 118.250 118.700 0.475 0.000 2.477 119 N HA 0.676 5.412 4.740 -0.007 0.000 0.284 119 N C -1.236 174.553 175.510 0.465 0.000 1.182 119 N CA -0.173 53.162 53.050 0.473 0.000 0.949 119 N CB 2.078 40.794 38.487 0.382 0.000 1.204 119 N HN 0.679 nan 8.380 nan 0.000 0.526 120 Y N -2.686 117.785 120.300 0.286 0.000 2.597 120 Y HA 0.502 5.048 4.550 -0.007 0.000 0.340 120 Y C -0.025 175.952 175.900 0.129 0.000 1.097 120 Y CA -0.967 57.208 58.100 0.126 0.000 1.037 120 Y CB 1.037 39.521 38.460 0.039 0.000 1.305 120 Y HN 0.476 nan 8.280 nan 0.000 0.463 121 S N -0.470 115.323 115.700 0.156 0.000 2.744 121 S HA 0.366 4.832 4.470 -0.007 0.000 0.265 121 S C -0.407 174.248 174.600 0.091 0.000 1.065 121 S CA -0.306 57.988 58.200 0.158 0.000 1.191 121 S CB 0.231 63.609 63.200 0.297 0.000 1.150 121 S HN 0.704 nan 8.310 nan 0.000 0.646 122 Q N 1.218 121.024 119.800 0.009 0.000 2.359 122 Q HA 0.370 4.705 4.340 -0.007 0.000 0.274 122 Q C -0.975 175.004 176.000 -0.035 0.000 1.074 122 Q CA -0.485 55.249 55.803 -0.114 0.000 0.810 122 Q CB 1.950 30.494 28.738 -0.323 0.000 1.342 122 Q HN 0.237 nan 8.270 nan 0.000 0.427 123 D N 0.786 121.169 120.400 -0.030 0.000 2.323 123 D HA -0.048 4.588 4.640 -0.007 0.000 0.209 123 D C 0.008 176.261 176.300 -0.077 0.000 0.973 123 D CA 0.506 54.472 54.000 -0.058 0.000 0.874 123 D CB 0.308 41.081 40.800 -0.045 0.000 0.930 123 D HN 0.486 nan 8.370 nan 0.000 0.521 124 R N -2.115 118.359 120.500 -0.043 0.000 2.664 124 R HA 0.404 4.739 4.340 -0.007 0.000 0.260 124 R C -3.319 172.996 176.300 0.026 0.000 1.062 124 R CA -1.827 54.265 56.100 -0.014 0.000 0.902 124 R CB -0.102 30.200 30.300 0.003 0.000 1.258 124 R HN -0.329 nan 8.270 nan 0.000 0.465 125 P HA -0.090 nan 4.420 nan 0.000 0.259 125 P C 0.756 178.011 177.300 -0.075 0.000 1.155 125 P CA 2.595 65.676 63.100 -0.031 0.000 0.759 125 P CB 0.345 32.044 31.700 -0.001 0.000 0.753 126 G N 2.176 110.880 108.800 -0.160 0.000 2.189 126 G HA2 -0.268 3.688 3.960 -0.007 0.000 0.267 126 G HA3 -0.268 3.688 3.960 -0.007 0.000 0.267 126 G C -0.130 174.486 174.900 -0.473 0.000 0.975 126 G CA 0.006 44.942 45.100 -0.272 0.000 0.644 126 G HN 0.703 nan 8.290 nan 0.000 0.537 127 H N -0.916 118.068 119.070 -0.145 0.000 2.685 127 H HA 0.532 5.084 4.556 -0.007 0.000 0.307 127 H C -0.437 174.756 175.328 -0.225 0.000 1.017 127 H CA -0.722 55.252 56.048 -0.122 0.000 1.237 127 H CB 0.520 30.232 29.762 -0.083 0.000 1.409 127 H HN 0.268 nan 8.280 nan 0.000 0.488 128 Y N 1.570 121.812 120.300 -0.098 0.000 2.442 128 Y HA 0.012 4.557 4.550 -0.007 0.000 0.330 128 Y C 0.679 176.305 175.900 -0.457 0.000 1.129 128 Y CA 0.097 58.033 58.100 -0.273 0.000 1.365 128 Y CB 0.497 38.716 38.460 -0.402 0.000 1.233 128 Y HN 0.613 nan 8.280 nan 0.000 0.529 129 D N 2.987 123.341 120.400 -0.077 0.000 2.428 129 D HA 0.095 4.731 4.640 -0.007 0.000 0.221 129 D C -0.737 175.637 176.300 0.124 0.000 1.123 129 D CA -0.261 53.743 54.000 0.008 0.000 0.869 129 D CB 0.144 41.048 40.800 0.174 0.000 1.032 129 D HN 0.381 nan 8.370 nan 0.000 0.506 130 Y N 1.464 121.864 120.300 0.165 0.000 2.524 130 Y HA 0.338 4.884 4.550 -0.007 0.000 0.266 130 Y C 1.902 177.860 175.900 0.096 0.000 1.180 130 Y CA -0.488 57.684 58.100 0.119 0.000 1.244 130 Y CB 0.771 39.288 38.460 0.095 0.000 1.125 130 Y HN 0.491 nan 8.280 nan 0.000 0.524 131 G N -0.629 108.305 108.800 0.223 0.000 2.743 131 G HA2 0.022 3.978 3.960 -0.007 0.000 0.206 131 G HA3 0.022 3.978 3.960 -0.007 0.000 0.206 131 G C 0.788 175.778 174.900 0.150 0.000 1.115 131 G CA 0.479 45.676 45.100 0.161 0.000 0.782 131 G HN 0.321 nan 8.290 nan 0.000 0.524 132 T N -2.345 112.325 114.554 0.192 0.000 2.862 132 T HA 0.527 4.872 4.350 -0.007 0.000 0.276 132 T C 0.746 175.572 174.700 0.210 0.000 0.974 132 T CA -0.062 62.168 62.100 0.218 0.000 0.966 132 T CB 2.293 71.349 68.868 0.313 0.000 1.072 132 T HN 0.080 nan 8.240 nan 0.000 0.538 133 Q N 0.195 120.122 119.800 0.213 0.000 2.620 133 Q HA 0.636 4.972 4.340 -0.007 0.000 0.232 133 Q C 0.035 176.157 176.000 0.204 0.000 0.836 133 Q CA 0.702 56.608 55.803 0.171 0.000 0.938 133 Q CB 0.561 29.369 28.738 0.118 0.000 1.242 133 Q HN 1.166 nan 8.270 nan 0.000 0.624 134 A N -1.130 121.829 122.820 0.232 0.000 2.515 134 A HA 0.612 4.927 4.320 -0.007 0.000 0.292 134 A C -1.932 175.766 177.584 0.190 0.000 1.065 134 A CA -0.214 51.897 52.037 0.122 0.000 0.641 134 A CB 0.306 19.320 19.000 0.023 0.000 1.306 134 A HN 0.544 nan 8.150 nan 0.000 0.441 135 Y N -3.399 116.868 120.300 -0.056 0.000 2.741 135 Y HA 0.886 5.432 4.550 -0.007 0.000 0.339 135 Y C -0.525 175.215 175.900 -0.268 0.000 1.226 135 Y CA -0.707 57.309 58.100 -0.140 0.000 1.072 135 Y CB 0.561 38.891 38.460 -0.217 0.000 1.331 135 Y HN 2.169 nan 8.280 nan 0.000 0.453 136 A N 0.813 123.505 122.820 -0.213 0.000 2.599 136 A HA 0.833 5.149 4.320 -0.007 0.000 0.290 136 A C -2.481 174.738 177.584 -0.608 0.000 1.101 136 A CA -0.911 50.930 52.037 -0.327 0.000 0.674 136 A CB 1.146 20.078 19.000 -0.113 0.000 1.277 136 A HN 0.639 nan 8.150 nan 0.000 0.419 137 F N 0.240 120.199 119.950 0.016 0.000 2.507 137 F HA 0.618 5.141 4.527 -0.007 0.000 0.325 137 F C 0.063 175.831 175.800 -0.054 0.000 1.116 137 F CA -0.649 57.327 58.000 -0.041 0.000 0.930 137 F CB 1.611 40.603 39.000 -0.012 0.000 1.146 137 F HN 0.396 nan 8.300 nan 0.000 0.447 138 L N 5.313 126.562 121.223 0.044 0.000 2.473 138 L HA 0.257 4.593 4.340 -0.007 0.000 0.268 138 L C -1.873 174.911 176.870 -0.142 0.000 1.215 138 L CA -1.359 53.457 54.840 -0.040 0.000 0.823 138 L CB -0.240 41.778 42.059 -0.068 0.000 1.099 138 L HN 0.362 nan 8.230 nan 0.000 0.483 139 P HA -0.022 nan 4.420 nan 0.000 0.268 139 P C -0.550 176.467 177.300 -0.471 0.000 1.208 139 P CA 0.032 62.635 63.100 -0.829 0.000 0.777 139 P CB 0.285 31.055 31.700 -1.550 0.000 0.875 140 N N -1.718 116.725 118.700 -0.428 0.000 2.747 140 N HA -0.116 4.619 4.740 -0.007 0.000 0.249 140 N C -0.621 174.815 175.510 -0.123 0.000 1.107 140 N CA 1.014 53.937 53.050 -0.212 0.000 0.707 140 N CB -2.601 35.781 38.487 -0.175 0.000 1.054 140 N HN 0.418 nan 8.380 nan 0.000 0.555 141 T N 2.062 116.558 114.554 -0.096 0.000 2.992 141 T HA 0.276 4.622 4.350 -0.007 0.000 0.299 141 T C 0.863 175.549 174.700 -0.024 0.000 1.027 141 T CA -0.339 61.736 62.100 -0.042 0.000 1.001 141 T CB 0.392 69.260 68.868 -0.001 0.000 1.005 141 T HN 0.071 nan 8.240 nan 0.000 0.599 142 I N 3.823 124.390 120.570 -0.005 0.000 2.396 142 I HA 0.257 4.423 4.170 -0.007 0.000 0.289 142 I C 0.012 176.195 176.117 0.109 0.000 1.056 142 I CA -0.861 60.449 61.300 0.018 0.000 1.365 142 I CB 0.459 38.447 38.000 -0.019 0.000 1.407 142 I HN 0.693 nan 8.210 nan 0.000 0.509 143 W N 7.957 129.179 121.300 -0.129 0.000 2.756 143 W HA 0.256 4.912 4.660 -0.007 0.000 0.333 143 W C -0.555 175.896 176.519 -0.113 0.000 1.025 143 W CA -0.586 56.681 57.345 -0.131 0.000 1.246 143 W CB 1.358 30.708 29.460 -0.183 0.000 1.358 143 W HN 0.718 nan 8.180 nan 0.000 0.444 144 Q N 4.134 123.557 119.800 -0.628 0.000 2.451 144 Q HA -0.222 4.114 4.340 -0.007 0.000 0.305 144 Q C 1.083 176.920 176.000 -0.272 0.000 1.345 144 Q CA 1.452 56.910 55.803 -0.576 0.000 0.854 144 Q CB -1.545 26.714 28.738 -0.797 0.000 1.162 144 Q HN 1.118 nan 8.270 nan 0.000 0.440 145 G N -0.430 108.262 108.800 -0.180 0.000 2.184 145 G HA2 -0.365 3.591 3.960 -0.007 0.000 0.264 145 G HA3 -0.365 3.591 3.960 -0.007 0.000 0.264 145 G C -0.032 174.830 174.900 -0.065 0.000 0.975 145 G CA 0.797 45.832 45.100 -0.108 0.000 0.642 145 G HN 0.654 nan 8.290 nan 0.000 0.536 146 Q N -0.181 119.592 119.800 -0.046 0.000 2.394 146 Q HA 0.661 4.997 4.340 -0.007 0.000 0.273 146 Q C -1.544 174.460 176.000 0.006 0.000 1.089 146 Q CA -1.131 54.665 55.803 -0.011 0.000 0.812 146 Q CB 2.163 30.902 28.738 0.000 0.000 1.353 146 Q HN 0.032 nan 8.270 nan 0.000 0.438 147 D N 2.178 122.582 120.400 0.006 0.000 2.348 147 D HA 0.174 4.810 4.640 -0.007 0.000 0.253 147 D C 0.054 176.349 176.300 -0.008 0.000 1.161 147 D CA -0.069 53.932 54.000 0.002 0.000 0.876 147 D CB 1.060 41.873 40.800 0.021 0.000 1.160 147 D HN 0.707 nan 8.370 nan 0.000 0.459 148 L N 2.536 123.721 121.223 -0.063 0.000 2.766 148 L HA 0.289 4.625 4.340 -0.007 0.000 0.242 148 L C 1.461 178.335 176.870 0.007 0.000 1.136 148 L CA -0.415 54.336 54.840 -0.147 0.000 0.933 148 L CB 0.348 42.066 42.059 -0.569 0.000 1.241 148 L HN 0.348 nan 8.230 nan 0.000 0.522 149 G N -0.012 108.809 108.800 0.035 0.000 2.265 149 G HA2 0.306 4.261 3.960 -0.007 0.000 0.240 149 G HA3 0.306 4.261 3.960 -0.007 0.000 0.240 149 G C 1.114 176.165 174.900 0.251 0.000 1.270 149 G CA 0.655 45.795 45.100 0.066 0.000 0.901 149 G HN 0.426 nan 8.290 nan 0.000 0.507 150 G N 1.175 110.156 108.800 0.302 0.000 2.194 150 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.236 150 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.236 150 G C 0.427 175.391 174.900 0.106 0.000 0.987 150 G CA 0.380 45.693 45.100 0.355 0.000 0.635 150 G HN 0.855 nan 8.290 nan 0.000 0.520 151 Q N 1.238 121.143 119.800 0.176 0.000 2.288 151 Q HA 0.524 4.860 4.340 -0.007 0.000 0.254 151 Q C 0.290 176.225 176.000 -0.109 0.000 0.932 151 Q CA 0.676 56.519 55.803 0.065 0.000 0.902 151 Q CB 1.202 30.205 28.738 0.442 0.000 1.203 151 Q HN 0.528 nan 8.270 nan 0.000 0.415 152 T N -0.958 113.266 114.554 -0.549 0.000 2.861 152 T HA 0.653 4.998 4.350 -0.007 0.000 0.287 152 T C -1.265 172.798 174.700 -1.061 0.000 1.003 152 T CA -0.746 60.969 62.100 -0.642 0.000 0.977 152 T CB 0.814 69.350 68.868 -0.552 0.000 0.996 152 T HN 0.527 nan 8.240 nan 0.000 0.448 153 W N 1.679 122.450 121.300 -0.882 0.000 2.883 153 W HA 0.671 5.327 4.660 -0.007 0.000 0.335 153 W C -1.556 174.456 176.519 -0.846 0.000 1.083 153 W CA -0.933 55.964 57.345 -0.748 0.000 1.233 153 W CB 1.812 30.658 29.460 -1.023 0.000 1.412 153 W HN 0.662 nan 8.180 nan 0.000 0.490 154 Y N 1.538 121.980 120.300 0.236 0.000 2.462 154 Y HA 0.268 4.814 4.550 -0.007 0.000 0.346 154 Y C 0.123 175.862 175.900 -0.268 0.000 0.976 154 Y CA -1.494 56.679 58.100 0.121 0.000 1.044 154 Y CB 1.410 40.026 38.460 0.260 0.000 1.230 154 Y HN 0.275 nan 8.280 nan 0.000 0.455 155 N N 1.933 120.451 118.700 -0.303 0.000 2.415 155 N HA 0.026 4.762 4.740 -0.007 0.000 0.250 155 N C 0.358 175.796 175.510 -0.120 0.000 1.127 155 N CA 0.207 52.912 53.050 -0.575 0.000 0.945 155 N CB 1.274 39.571 38.487 -0.317 0.000 1.196 155 N HN 0.693 nan 8.380 nan 0.000 0.499 156 V N 3.851 123.727 119.914 -0.065 0.000 3.383 156 V HA -0.051 4.064 4.120 -0.007 0.000 0.272 156 V C 1.303 177.429 176.094 0.054 0.000 1.181 156 V CA 0.936 63.259 62.300 0.038 0.000 1.171 156 V CB -0.653 31.224 31.823 0.090 0.000 0.800 156 V HN 0.593 nan 8.190 nan 0.000 0.515 157 N N 0.034 118.787 118.700 0.089 0.000 2.457 157 N HA -0.007 4.729 4.740 -0.007 0.000 0.180 157 N C 0.575 176.123 175.510 0.063 0.000 1.050 157 N CA 0.397 53.528 53.050 0.136 0.000 0.906 157 N CB 0.022 38.698 38.487 0.315 0.000 0.968 157 N HN 0.523 nan 8.380 nan 0.000 0.445 158 Q N 0.672 120.504 119.800 0.053 0.000 2.295 158 Q HA 0.134 4.470 4.340 -0.007 0.000 0.259 158 Q C 1.268 177.273 176.000 0.009 0.000 0.976 158 Q CA -0.109 55.717 55.803 0.038 0.000 0.923 158 Q CB 1.245 30.021 28.738 0.064 0.000 1.185 158 Q HN 0.213 nan 8.270 nan 0.000 0.410 159 S N 3.032 118.736 115.700 0.008 0.000 2.387 159 S HA -0.302 4.164 4.470 -0.007 0.000 0.230 159 S C 1.257 175.866 174.600 0.015 0.000 1.035 159 S CA 1.883 60.097 58.200 0.023 0.000 1.014 159 S CB -0.360 62.876 63.200 0.061 0.000 0.836 159 S HN 0.786 nan 8.310 nan 0.000 0.466 160 N N 1.476 120.186 118.700 0.015 0.000 2.309 160 N HA -0.031 4.705 4.740 -0.007 0.000 0.182 160 N C 1.361 176.811 175.510 -0.101 0.000 1.018 160 N CA 1.032 54.074 53.050 -0.015 0.000 0.876 160 N CB -0.603 37.900 38.487 0.026 0.000 0.972 160 N HN 0.333 nan 8.380 nan 0.000 0.434 161 V N 0.270 120.150 119.914 -0.057 0.000 2.591 161 V HA -0.081 4.034 4.120 -0.007 0.000 0.249 161 V C 2.460 178.487 176.094 -0.112 0.000 1.053 161 V CA 1.311 63.592 62.300 -0.032 0.000 1.068 161 V CB -0.540 31.350 31.823 0.112 0.000 0.689 161 V HN 0.383 nan 8.190 nan 0.000 0.462 162 K N -0.772 119.520 120.400 -0.181 0.000 2.155 162 K HA -0.083 4.233 4.320 -0.007 0.000 0.203 162 K C 0.654 176.908 176.600 -0.576 0.000 1.052 162 K CA 0.928 56.990 56.287 -0.375 0.000 0.948 162 K CB 0.126 32.359 32.500 -0.445 0.000 0.728 162 K HN 0.483 nan 8.250 nan 0.000 0.448 163 H N 0.159 119.170 119.070 -0.099 0.000 2.386 163 H HA 0.168 4.720 4.556 -0.007 0.000 0.232 163 H C -2.099 173.134 175.328 -0.158 0.000 1.416 163 H CA -2.010 53.971 56.048 -0.111 0.000 1.285 163 H CB 1.249 30.967 29.762 -0.073 0.000 1.625 163 H HN 0.216 nan 8.280 nan 0.000 0.521 164 P HA -0.132 nan 4.420 nan 0.000 0.219 164 P C 1.409 178.600 177.300 -0.181 0.000 1.146 164 P CA 1.058 63.959 63.100 -0.331 0.000 0.808 164 P CB 0.366 31.649 31.700 -0.694 0.000 0.779 165 A N 0.031 122.794 122.820 -0.096 0.000 2.067 165 A HA -0.066 4.250 4.320 -0.007 0.000 0.219 165 A C 1.991 179.558 177.584 -0.027 0.000 1.158 165 A CA 2.053 54.059 52.037 -0.053 0.000 0.661 165 A CB -1.371 17.608 19.000 -0.034 0.000 0.801 165 A HN 0.408 nan 8.150 nan 0.000 0.452 166 T N -3.567 110.977 114.554 -0.017 0.000 3.003 166 T HA 0.292 4.638 4.350 -0.007 0.000 0.261 166 T C 0.114 174.821 174.700 0.012 0.000 1.003 166 T CA -0.097 61.998 62.100 -0.009 0.000 0.917 166 T CB 0.168 69.013 68.868 -0.038 0.000 1.084 166 T HN 0.401 nan 8.240 nan 0.000 0.522 167 E N 2.373 122.576 120.200 0.006 0.000 2.267 167 E HA 0.221 4.567 4.350 -0.007 0.000 0.248 167 E C -0.341 176.271 176.600 0.020 0.000 0.899 167 E CA -0.479 55.938 56.400 0.029 0.000 0.764 167 E CB 1.379 31.095 29.700 0.026 0.000 1.227 167 E HN 0.294 nan 8.360 nan 0.000 0.421 168 D N 1.815 122.273 120.400 0.097 0.000 2.265 168 D HA -0.282 4.354 4.640 -0.007 0.000 0.208 168 D C 1.410 177.765 176.300 0.093 0.000 0.977 168 D CA 1.002 55.073 54.000 0.118 0.000 0.871 168 D CB -0.175 40.761 40.800 0.227 0.000 0.925 168 D HN 0.463 nan 8.370 nan 0.000 0.485 169 Y N 1.494 121.754 120.300 -0.067 0.000 2.293 169 Y HA 0.048 4.593 4.550 -0.007 0.000 0.291 169 Y C 2.524 178.277 175.900 -0.246 0.000 1.137 169 Y CA 1.553 59.467 58.100 -0.310 0.000 1.202 169 Y CB -0.435 37.719 38.460 -0.509 0.000 0.990 169 Y HN 0.060 nan 8.280 nan 0.000 0.537 170 G N -0.360 108.277 108.800 -0.271 0.000 2.402 170 G HA2 -0.289 3.667 3.960 -0.007 0.000 0.216 170 G HA3 -0.289 3.667 3.960 -0.007 0.000 0.216 170 G C 1.727 176.194 174.900 -0.722 0.000 1.162 170 G CA 0.855 45.680 45.100 -0.458 0.000 0.777 170 G HN 0.313 nan 8.290 nan 0.000 0.539 171 R N 0.518 120.707 120.500 -0.518 0.000 2.081 171 R HA -0.023 4.313 4.340 -0.007 0.000 0.235 171 R C 2.467 178.628 176.300 -0.232 0.000 1.131 171 R CA 2.073 57.913 56.100 -0.432 0.000 0.960 171 R CB -0.787 29.391 30.300 -0.203 0.000 0.856 171 R HN 0.472 nan 8.270 nan 0.000 0.436 172 Q N -0.757 118.926 119.800 -0.195 0.000 2.124 172 Q HA -0.126 4.210 4.340 -0.007 0.000 0.202 172 Q C 1.407 177.356 176.000 -0.086 0.000 0.977 172 Q CA 2.117 57.855 55.803 -0.108 0.000 0.850 172 Q CB -0.059 28.624 28.738 -0.091 0.000 0.901 172 Q HN 0.417 nan 8.270 nan 0.000 0.429 173 T N 0.752 115.147 114.554 -0.265 0.000 2.720 173 T HA -0.138 4.208 4.350 -0.007 0.000 0.268 173 T C 1.276 176.239 174.700 0.438 0.000 1.037 173 T CA 1.231 63.299 62.100 -0.054 0.000 1.144 173 T CB -0.268 68.526 68.868 -0.122 0.000 0.864 173 T HN 0.244 nan 8.240 nan 0.000 0.444 174 F N 2.001 122.038 119.950 0.146 0.000 2.102 174 F HA -0.066 4.456 4.527 -0.007 0.000 0.298 174 F C 2.832 178.831 175.800 0.332 0.000 1.105 174 F CA 0.732 58.889 58.000 0.261 0.000 1.239 174 F CB -1.794 37.268 39.000 0.103 0.000 0.991 174 F HN 0.150 nan 8.300 nan 0.000 0.474 175 T N -1.599 113.227 114.554 0.454 0.000 2.746 175 T HA -0.249 4.096 4.350 -0.007 0.000 0.267 175 T C 1.776 176.836 174.700 0.600 0.000 1.039 175 T CA 1.844 64.229 62.100 0.475 0.000 1.142 175 T CB -0.647 68.323 68.868 0.169 0.000 0.866 175 T HN 0.385 nan 8.240 nan 0.000 0.444 176 H N 1.322 120.588 119.070 0.326 0.000 2.270 176 H HA -0.065 4.487 4.556 -0.007 0.000 0.299 176 H C 2.309 177.733 175.328 0.160 0.000 1.077 176 H CA 1.653 57.842 56.048 0.234 0.000 1.294 176 H CB 0.076 29.936 29.762 0.164 0.000 1.371 176 H HN 0.116 nan 8.280 nan 0.000 0.491 177 E N 0.447 120.939 120.200 0.487 0.000 2.153 177 E HA -0.138 4.208 4.350 -0.007 0.000 0.194 177 E C 2.464 179.160 176.600 0.160 0.000 0.988 177 E CA 0.999 57.609 56.400 0.350 0.000 0.811 177 E CB -0.114 29.765 29.700 0.299 0.000 0.746 177 E HN 0.655 nan 8.360 nan 0.000 0.466 178 I N 0.620 121.298 120.570 0.180 0.000 2.394 178 I HA -0.137 4.029 4.170 -0.007 0.000 0.251 178 I C 2.409 178.384 176.117 -0.238 0.000 1.136 178 I CA 0.958 62.259 61.300 0.001 0.000 1.425 178 I CB -0.487 37.588 38.000 0.124 0.000 1.079 178 I HN 0.091 nan 8.210 nan 0.000 0.425 179 G N 0.352 109.005 108.800 -0.245 0.000 2.446 179 G HA2 -0.258 3.697 3.960 -0.007 0.000 0.217 179 G HA3 -0.258 3.697 3.960 -0.007 0.000 0.217 179 G C 1.515 176.222 174.900 -0.322 0.000 1.168 179 G CA 0.718 45.487 45.100 -0.552 0.000 0.771 179 G HN 0.327 nan 8.290 nan 0.000 0.551 180 H N 0.927 119.907 119.070 -0.149 0.000 2.321 180 H HA -0.007 4.545 4.556 -0.007 0.000 0.300 180 H C 2.970 178.254 175.328 -0.074 0.000 1.087 180 H CA 1.296 57.273 56.048 -0.119 0.000 1.319 180 H CB -0.763 28.938 29.762 -0.101 0.000 1.379 180 H HN 0.365 nan 8.280 nan 0.000 0.501 181 A N 0.716 123.591 122.820 0.091 0.000 2.076 181 A HA -0.101 4.214 4.320 -0.007 0.000 0.220 181 A C 2.584 180.349 177.584 0.302 0.000 1.160 181 A CA 1.057 53.180 52.037 0.143 0.000 0.653 181 A CB -0.710 18.326 19.000 0.061 0.000 0.801 181 A HN 0.321 nan 8.150 nan 0.000 0.455 182 L N -2.469 118.843 121.223 0.148 0.000 2.446 182 L HA 0.221 4.557 4.340 -0.007 0.000 0.219 182 L C 1.718 178.720 176.870 0.219 0.000 1.116 182 L CA 0.736 55.735 54.840 0.266 0.000 0.844 182 L CB 0.157 42.203 42.059 -0.021 0.000 0.970 182 L HN 0.570 nan 8.230 nan 0.000 0.457 183 G N -0.677 108.154 108.800 0.052 0.000 2.370 183 G HA2 -0.122 3.833 3.960 -0.007 0.000 0.174 183 G HA3 -0.122 3.833 3.960 -0.007 0.000 0.174 183 G C 0.064 174.957 174.900 -0.011 0.000 1.002 183 G CA -0.664 44.439 45.100 0.004 0.000 0.730 183 G HN 0.045 nan 8.290 nan 0.000 0.497 184 L N 1.634 122.839 121.223 -0.030 0.000 2.399 184 L HA 0.716 5.052 4.340 -0.007 0.000 0.266 184 L C 0.563 177.457 176.870 0.041 0.000 1.114 184 L CA -0.474 54.344 54.840 -0.036 0.000 0.804 184 L CB 1.505 43.504 42.059 -0.099 0.000 1.146 184 L HN 0.161 nan 8.230 nan 0.000 0.451 185 S N -1.485 114.220 115.700 0.008 0.000 2.726 185 S HA 0.448 4.914 4.470 -0.007 0.000 0.308 185 S C -0.549 174.081 174.600 0.050 0.000 1.115 185 S CA -0.806 57.402 58.200 0.014 0.000 0.965 185 S CB 1.197 64.331 63.200 -0.111 0.000 1.145 185 S HN 0.490 nan 8.310 nan 0.000 0.532 186 H N 0.924 119.988 119.070 -0.010 0.000 2.771 186 H HA 0.115 4.667 4.556 -0.007 0.000 0.364 186 H C -1.656 173.614 175.328 -0.096 0.000 1.133 186 H CA -1.811 54.163 56.048 -0.123 0.000 1.423 186 H CB 0.262 29.738 29.762 -0.476 0.000 1.425 186 H HN 0.343 nan 8.280 nan 0.000 0.606 187 P HA 0.004 nan 4.420 nan 0.000 0.234 187 P C 0.148 177.713 177.300 0.442 0.000 1.167 187 P CA 0.679 64.003 63.100 0.374 0.000 0.763 187 P CB 0.545 32.476 31.700 0.384 0.000 0.835 188 G N -1.252 107.595 108.800 0.078 0.000 2.725 188 G HA2 0.300 4.255 3.960 -0.007 0.000 0.288 188 G HA3 0.300 4.255 3.960 -0.007 0.000 0.288 188 G C -1.567 173.157 174.900 -0.293 0.000 1.399 188 G CA -0.429 44.729 45.100 0.097 0.000 0.859 188 G HN -0.283 nan 8.290 nan 0.000 0.479 189 D N 1.120 121.490 120.400 -0.051 0.000 2.522 189 D HA 0.375 5.011 4.640 -0.007 0.000 0.218 189 D C -0.860 175.460 176.300 0.034 0.000 1.149 189 D CA 0.452 54.411 54.000 -0.069 0.000 0.981 189 D CB 0.307 41.127 40.800 0.034 0.000 1.041 189 D HN 0.377 nan 8.370 nan 0.000 0.518 190 Y N -0.958 119.426 120.300 0.140 0.000 2.625 190 Y HA 0.650 5.196 4.550 -0.007 0.000 0.338 190 Y C -1.078 174.917 175.900 0.158 0.000 1.123 190 Y CA -1.590 56.594 58.100 0.139 0.000 1.046 190 Y CB 1.363 39.935 38.460 0.186 0.000 1.299 190 Y HN -0.116 nan 8.280 nan 0.000 0.464 191 N N 0.138 119.092 118.700 0.423 0.000 2.367 191 N HA 0.660 5.396 4.740 -0.007 0.000 0.278 191 N C -1.457 174.345 175.510 0.486 0.000 1.117 191 N CA -0.254 53.055 53.050 0.432 0.000 0.867 191 N CB 2.303 40.925 38.487 0.225 0.000 1.649 191 N HN 1.139 nan 8.380 nan 0.000 0.479 192 A N 1.023 124.204 122.820 0.602 0.000 2.540 192 A HA 0.466 4.782 4.320 -0.007 0.000 0.239 192 A C 1.495 179.210 177.584 0.218 0.000 1.061 192 A CA 1.069 53.334 52.037 0.379 0.000 0.758 192 A CB -0.882 18.240 19.000 0.203 0.000 0.991 192 A HN 1.467 nan 8.150 nan 0.000 0.502 193 G N 1.160 110.063 108.800 0.172 0.000 2.284 193 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.261 193 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.261 193 G C 0.255 175.218 174.900 0.105 0.000 0.997 193 G CA 0.504 45.673 45.100 0.115 0.000 0.621 193 G HN 0.789 nan 8.290 nan 0.000 0.534 194 E N 2.032 122.313 120.200 0.135 0.000 1.852 194 E HA 0.473 4.819 4.350 -0.007 0.000 0.276 194 E C 1.253 177.924 176.600 0.118 0.000 1.163 194 E CA 1.073 57.538 56.400 0.108 0.000 1.117 194 E CB -0.272 29.494 29.700 0.110 0.000 1.124 194 E HN 1.522 nan 8.360 nan 0.000 0.458 195 G N 3.687 112.542 108.800 0.092 0.000 2.512 195 G HA2 -0.319 3.636 3.960 -0.007 0.000 0.240 195 G HA3 -0.319 3.636 3.960 -0.007 0.000 0.240 195 G C 0.020 174.981 174.900 0.101 0.000 1.246 195 G CA -0.131 45.019 45.100 0.084 0.000 0.919 195 G HN 0.497 nan 8.290 nan 0.000 0.577 196 N N 2.355 121.111 118.700 0.093 0.000 2.976 196 N HA 0.530 5.266 4.740 -0.007 0.000 0.255 196 N C -1.966 173.610 175.510 0.110 0.000 1.312 196 N CA -0.993 52.115 53.050 0.096 0.000 0.897 196 N CB 1.026 39.547 38.487 0.056 0.000 1.184 196 N HN 0.571 nan 8.380 nan 0.000 0.497 197 P HA 0.244 nan 4.420 nan 0.000 0.279 197 P C -0.617 176.754 177.300 0.118 0.000 1.239 197 P CA -0.098 63.132 63.100 0.217 0.000 0.789 197 P CB 1.409 33.354 31.700 0.409 0.000 0.933 198 T N -1.135 113.257 114.554 -0.271 0.000 2.838 198 T HA 0.168 4.514 4.350 -0.007 0.000 0.292 198 T C 0.662 174.533 174.700 -1.383 0.000 1.113 198 T CA -0.554 61.080 62.100 -0.776 0.000 1.008 198 T CB 0.582 69.232 68.868 -0.364 0.000 1.259 198 T HN 0.259 nan 8.240 nan 0.000 0.520 199 Y N 1.461 120.740 120.300 -1.702 0.000 2.384 199 Y HA -0.091 4.455 4.550 -0.007 0.000 0.289 199 Y C 1.916 177.388 175.900 -0.713 0.000 1.152 199 Y CA 1.546 58.764 58.100 -1.471 0.000 1.258 199 Y CB -0.801 37.166 38.460 -0.821 0.000 0.979 199 Y HN 0.593 nan 8.280 nan 0.000 0.549 200 N N 0.299 118.650 118.700 -0.582 0.000 2.453 200 N HA -0.133 4.602 4.740 -0.007 0.000 0.183 200 N C 0.542 175.848 175.510 -0.340 0.000 1.041 200 N CA 1.316 54.115 53.050 -0.419 0.000 0.900 200 N CB -0.205 38.133 38.487 -0.248 0.000 0.961 200 N HN 0.500 nan 8.380 nan 0.000 0.443 201 D N 0.516 120.728 120.400 -0.313 0.000 2.328 201 D HA 0.001 4.636 4.640 -0.007 0.000 0.221 201 D C 0.799 177.096 176.300 -0.006 0.000 1.072 201 D CA -0.015 53.929 54.000 -0.094 0.000 0.850 201 D CB 0.232 41.063 40.800 0.051 0.000 0.922 201 D HN 0.097 nan 8.370 nan 0.000 0.516 202 V N -1.342 118.461 119.914 -0.185 0.000 2.881 202 V HA 0.173 4.289 4.120 -0.007 0.000 0.303 202 V C 1.359 177.363 176.094 -0.150 0.000 1.070 202 V CA -0.146 62.097 62.300 -0.095 0.000 1.074 202 V CB 1.308 32.951 31.823 -0.299 0.000 1.012 202 V HN -0.168 nan 8.190 nan 0.000 0.482 203 T N 2.373 116.862 114.554 -0.109 0.000 2.976 203 T HA 0.185 4.531 4.350 -0.007 0.000 0.257 203 T C 0.144 174.613 174.700 -0.385 0.000 1.051 203 T CA 1.862 63.852 62.100 -0.183 0.000 1.141 203 T CB -0.282 68.489 68.868 -0.162 0.000 0.881 203 T HN 0.927 nan 8.240 nan 0.000 0.461 204 Y N -1.974 117.929 120.300 -0.662 0.000 2.545 204 Y HA 0.818 5.364 4.550 -0.007 0.000 0.348 204 Y C 0.908 176.566 175.900 -0.403 0.000 1.002 204 Y CA -1.822 55.800 58.100 -0.797 0.000 1.039 204 Y CB 0.852 38.363 38.460 -1.583 0.000 1.271 204 Y HN -0.115 nan 8.280 nan 0.000 0.467 205 A N 0.937 123.627 122.820 -0.217 0.000 1.978 205 A HA -0.154 4.162 4.320 -0.007 0.000 0.220 205 A C 1.302 178.832 177.584 -0.090 0.000 1.170 205 A CA 1.910 53.883 52.037 -0.106 0.000 0.636 205 A CB -0.747 18.239 19.000 -0.023 0.000 0.810 205 A HN 0.875 nan 8.150 nan 0.000 0.448 206 E N 0.497 120.563 120.200 -0.224 0.000 2.485 206 E HA 0.003 4.348 4.350 -0.007 0.000 0.194 206 E C -0.067 176.354 176.600 -0.297 0.000 1.098 206 E CA 0.203 56.309 56.400 -0.491 0.000 0.878 206 E CB -0.138 29.044 29.700 -0.863 0.000 0.939 206 E HN 0.459 nan 8.360 nan 0.000 0.503 207 D N 1.398 121.575 120.400 -0.371 0.000 2.619 207 D HA 0.010 4.646 4.640 -0.007 0.000 0.224 207 D C -0.601 175.870 176.300 0.285 0.000 1.133 207 D CA -0.033 53.867 54.000 -0.166 0.000 1.017 207 D CB -0.363 40.257 40.800 -0.299 0.000 1.077 207 D HN 0.080 nan 8.370 nan 0.000 0.503 208 T N -1.734 112.989 114.554 0.282 0.000 2.841 208 T HA 0.411 4.757 4.350 -0.007 0.000 0.296 208 T C 1.116 175.970 174.700 0.255 0.000 1.166 208 T CA -0.930 61.334 62.100 0.274 0.000 1.007 208 T CB 1.283 70.255 68.868 0.174 0.000 1.253 208 T HN 0.071 nan 8.240 nan 0.000 0.511 209 R N -0.043 120.564 120.500 0.179 0.000 2.328 209 R HA -0.026 4.309 4.340 -0.007 0.000 0.207 209 R C 2.322 178.681 176.300 0.097 0.000 1.056 209 R CA 0.849 57.045 56.100 0.160 0.000 1.016 209 R CB -0.142 30.255 30.300 0.162 0.000 0.872 209 R HN 0.726 nan 8.270 nan 0.000 0.471 210 Q N -0.183 119.638 119.800 0.036 0.000 2.172 210 Q HA -0.112 4.224 4.340 -0.007 0.000 0.200 210 Q C 0.752 176.608 176.000 -0.240 0.000 0.964 210 Q CA 1.368 57.052 55.803 -0.199 0.000 0.855 210 Q CB 0.228 28.681 28.738 -0.475 0.000 0.918 210 Q HN 0.289 nan 8.270 nan 0.000 0.444 211 F N -0.985 119.024 119.950 0.098 0.000 2.653 211 F HA 0.302 4.825 4.527 -0.007 0.000 0.288 211 F C 0.576 176.496 175.800 0.200 0.000 1.121 211 F CA -0.151 57.967 58.000 0.196 0.000 1.384 211 F CB 1.188 40.311 39.000 0.204 0.000 1.115 211 F HN -0.149 nan 8.300 nan 0.000 0.599 212 S N 0.120 116.030 115.700 0.350 0.000 2.543 212 S HA 0.431 4.897 4.470 -0.007 0.000 0.271 212 S C -0.123 174.625 174.600 0.247 0.000 1.148 212 S CA -0.729 57.643 58.200 0.287 0.000 0.914 212 S CB 0.958 64.351 63.200 0.321 0.000 1.096 212 S HN 0.113 nan 8.310 nan 0.000 0.471 213 L N 2.628 123.985 121.223 0.223 0.000 2.591 213 L HA 0.486 4.822 4.340 -0.007 0.000 0.228 213 L C 1.451 178.545 176.870 0.372 0.000 1.133 213 L CA 0.618 55.611 54.840 0.254 0.000 0.880 213 L CB -0.737 41.438 42.059 0.193 0.000 1.033 213 L HN 0.534 nan 8.230 nan 0.000 0.450 214 M N -0.621 119.143 119.600 0.273 0.000 2.556 214 M HA 0.200 4.676 4.480 -0.007 0.000 0.245 214 M C 0.988 177.477 176.300 0.314 0.000 1.128 214 M CA 0.265 55.659 55.300 0.156 0.000 1.069 214 M CB -0.668 31.966 32.600 0.058 0.000 1.469 214 M HN 0.472 nan 8.290 nan 0.000 0.494 215 S N -0.597 115.274 115.700 0.285 0.000 2.632 215 S HA 0.220 4.685 4.470 -0.007 0.000 0.271 215 S C 0.451 175.113 174.600 0.103 0.000 1.260 215 S CA -0.350 57.962 58.200 0.187 0.000 1.010 215 S CB 0.993 64.310 63.200 0.195 0.000 0.965 215 S HN 0.282 nan 8.310 nan 0.000 0.534 216 Y N 0.782 120.689 120.300 -0.654 0.000 2.458 216 Y HA 0.341 4.887 4.550 -0.007 0.000 0.254 216 Y C 0.075 175.427 175.900 -0.914 0.000 1.120 216 Y CA -1.491 56.014 58.100 -0.990 0.000 1.282 216 Y CB -0.227 37.140 38.460 -1.821 0.000 1.109 216 Y HN 0.592 nan 8.280 nan 0.000 0.526 217 W N -0.094 121.303 121.300 0.161 0.000 2.376 217 W HA 0.476 5.131 4.660 -0.007 0.000 0.322 217 W C 0.849 177.375 176.519 0.010 0.000 1.160 217 W CA -1.042 56.333 57.345 0.050 0.000 1.218 217 W CB 0.597 30.072 29.460 0.025 0.000 1.205 217 W HN -0.384 nan 8.180 nan 0.000 0.559 218 S N 2.674 118.491 115.700 0.195 0.000 2.558 218 S HA -0.134 4.332 4.470 -0.007 0.000 0.293 218 S C 1.586 176.188 174.600 0.002 0.000 1.292 218 S CA -0.026 58.216 58.200 0.070 0.000 1.063 218 S CB 0.567 63.781 63.200 0.023 0.000 0.831 218 S HN 0.617 nan 8.310 nan 0.000 0.499 219 E N 3.667 123.861 120.200 -0.010 0.000 2.265 219 E HA -0.164 4.182 4.350 -0.007 0.000 0.196 219 E C 1.600 178.147 176.600 -0.088 0.000 0.996 219 E CA 1.683 58.052 56.400 -0.052 0.000 0.832 219 E CB -1.254 28.396 29.700 -0.084 0.000 0.756 219 E HN 0.842 nan 8.360 nan 0.000 0.491 220 T N -0.748 113.756 114.554 -0.084 0.000 2.977 220 T HA -0.074 4.272 4.350 -0.007 0.000 0.271 220 T C 1.540 176.176 174.700 -0.108 0.000 1.105 220 T CA 0.953 63.003 62.100 -0.083 0.000 1.116 220 T CB -0.299 68.528 68.868 -0.070 0.000 0.878 220 T HN 0.047 nan 8.240 nan 0.000 0.509 221 N N 1.888 120.475 118.700 -0.187 0.000 2.289 221 N HA -0.064 4.672 4.740 -0.007 0.000 0.184 221 N C 1.712 177.122 175.510 -0.167 0.000 1.016 221 N CA 1.900 54.758 53.050 -0.319 0.000 0.872 221 N CB -0.305 37.667 38.487 -0.859 0.000 0.973 221 N HN 0.792 nan 8.380 nan 0.000 0.433 222 T N -3.965 110.544 114.554 -0.075 0.000 3.054 222 T HA 0.437 4.783 4.350 -0.007 0.000 0.255 222 T C 1.225 175.978 174.700 0.088 0.000 1.035 222 T CA 0.355 62.483 62.100 0.046 0.000 0.941 222 T CB 0.912 69.869 68.868 0.147 0.000 1.026 222 T HN 0.235 nan 8.240 nan 0.000 0.533 223 G N 0.605 109.416 108.800 0.018 0.000 2.201 223 G HA2 -0.035 3.921 3.960 -0.007 0.000 0.212 223 G HA3 -0.035 3.921 3.960 -0.007 0.000 0.212 223 G C 0.474 175.378 174.900 0.007 0.000 0.994 223 G CA -0.343 44.784 45.100 0.045 0.000 0.644 223 G HN 0.923 nan 8.290 nan 0.000 0.508 224 G N -0.552 108.193 108.800 -0.093 0.000 2.651 224 G HA2 0.489 4.445 3.960 -0.007 0.000 0.260 224 G HA3 0.489 4.445 3.960 -0.007 0.000 0.260 224 G C -0.701 174.149 174.900 -0.084 0.000 1.216 224 G CA 0.721 45.742 45.100 -0.132 0.000 0.913 224 G HN 0.584 nan 8.290 nan 0.000 0.535 225 D N -1.073 119.277 120.400 -0.084 0.000 2.419 225 D HA 0.138 4.774 4.640 -0.007 0.000 0.219 225 D C -0.358 175.888 176.300 -0.091 0.000 1.349 225 D CA -0.674 53.278 54.000 -0.079 0.000 0.964 225 D CB 0.672 41.438 40.800 -0.057 0.000 1.463 225 D HN 0.085 nan 8.370 nan 0.000 0.573 226 N N 1.797 120.431 118.700 -0.109 0.000 2.279 226 N HA 0.265 5.001 4.740 -0.007 0.000 0.226 226 N C 1.227 176.708 175.510 -0.048 0.000 1.126 226 N CA 0.542 53.534 53.050 -0.097 0.000 0.846 226 N CB 0.872 39.281 38.487 -0.129 0.000 1.050 226 N HN 0.719 nan 8.380 nan 0.000 0.502 227 G N 0.578 109.338 108.800 -0.066 0.000 2.269 227 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.277 227 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.277 227 G C 0.938 175.734 174.900 -0.173 0.000 1.008 227 G CA 0.904 45.971 45.100 -0.055 0.000 0.774 227 G HN 0.792 nan 8.290 nan 0.000 0.511 228 G N -2.544 106.094 108.800 -0.270 0.000 2.159 228 G HA2 -0.147 3.809 3.960 -0.007 0.000 0.227 228 G HA3 -0.147 3.809 3.960 -0.007 0.000 0.227 228 G C 0.071 174.629 174.900 -0.569 0.000 0.986 228 G CA 0.835 45.707 45.100 -0.381 0.000 0.651 228 G HN 1.242 nan 8.290 nan 0.000 0.523 229 H N -1.380 117.463 119.070 -0.380 0.000 2.615 229 H HA 0.751 5.303 4.556 -0.007 0.000 0.346 229 H C -0.790 174.168 175.328 -0.616 0.000 1.200 229 H CA -0.466 55.400 56.048 -0.303 0.000 1.264 229 H CB 1.089 30.777 29.762 -0.125 0.000 1.699 229 H HN 0.207 nan 8.280 nan 0.000 0.567 230 Y N -0.259 120.150 120.300 0.181 0.000 2.406 230 Y HA 0.478 5.023 4.550 -0.007 0.000 0.340 230 Y C 0.010 175.965 175.900 0.091 0.000 0.975 230 Y CA -1.257 56.921 58.100 0.130 0.000 1.056 230 Y CB 1.480 40.044 38.460 0.173 0.000 1.210 230 Y HN 0.777 nan 8.280 nan 0.000 0.448 231 A N 1.475 124.394 122.820 0.166 0.000 2.520 231 A HA 0.424 4.740 4.320 -0.007 0.000 0.235 231 A C 0.990 178.606 177.584 0.053 0.000 1.065 231 A CA 0.606 52.698 52.037 0.092 0.000 0.764 231 A CB 0.051 19.088 19.000 0.061 0.000 1.002 231 A HN 1.062 nan 8.150 nan 0.000 0.502 232 A N 1.369 124.171 122.820 -0.029 0.000 2.140 232 A HA 0.593 4.909 4.320 -0.007 0.000 0.209 232 A C 1.147 178.514 177.584 -0.360 0.000 1.181 232 A CA 1.183 53.144 52.037 -0.127 0.000 0.824 232 A CB -0.212 18.748 19.000 -0.065 0.000 0.879 232 A HN 1.893 nan 8.150 nan 0.000 0.480 233 A N 0.088 122.592 122.820 -0.527 0.000 2.387 233 A HA 0.719 5.035 4.320 -0.007 0.000 0.303 233 A C -2.922 174.378 177.584 -0.473 0.000 1.145 233 A CA -2.135 49.457 52.037 -0.742 0.000 0.801 233 A CB 0.489 18.639 19.000 -1.417 0.000 1.342 233 A HN 0.043 nan 8.150 nan 0.000 0.440 234 P HA 0.099 nan 4.420 nan 0.000 0.260 234 P C -0.441 176.775 177.300 -0.140 0.000 1.172 234 P CA 0.701 63.522 63.100 -0.466 0.000 0.760 234 P CB 0.166 31.412 31.700 -0.756 0.000 0.773 235 L N 3.148 124.363 121.223 -0.014 0.000 2.543 235 L HA 0.143 4.479 4.340 -0.007 0.000 0.231 235 L C 2.269 179.212 176.870 0.122 0.000 1.194 235 L CA -0.901 53.983 54.840 0.073 0.000 0.823 235 L CB -0.251 41.874 42.059 0.110 0.000 1.374 235 L HN 0.200 nan 8.230 nan 0.000 0.507 236 L N 0.718 122.025 121.223 0.140 0.000 1.991 236 L HA -0.288 4.048 4.340 -0.007 0.000 0.221 236 L C 1.930 178.931 176.870 0.218 0.000 1.079 236 L CA 2.093 57.032 54.840 0.164 0.000 0.778 236 L CB -0.677 41.473 42.059 0.152 0.000 0.893 236 L HN 0.619 nan 8.230 nan 0.000 0.437 237 D N -0.842 119.737 120.400 0.299 0.000 2.269 237 D HA -0.133 4.503 4.640 -0.007 0.000 0.208 237 D C 1.799 178.244 176.300 0.240 0.000 0.963 237 D CA 0.982 55.154 54.000 0.286 0.000 0.864 237 D CB -0.214 40.809 40.800 0.372 0.000 0.936 237 D HN 0.463 nan 8.370 nan 0.000 0.505 238 D N 0.498 121.040 120.400 0.235 0.000 2.117 238 D HA -0.067 4.569 4.640 -0.007 0.000 0.198 238 D C 2.329 178.775 176.300 0.243 0.000 0.982 238 D CA 0.393 54.548 54.000 0.258 0.000 0.828 238 D CB -0.091 40.835 40.800 0.210 0.000 0.967 238 D HN 0.272 nan 8.370 nan 0.000 0.464 239 I N 1.348 122.011 120.570 0.156 0.000 2.208 239 I HA -0.266 3.900 4.170 -0.007 0.000 0.245 239 I C 2.528 178.691 176.117 0.076 0.000 1.097 239 I CA 1.023 62.379 61.300 0.094 0.000 1.363 239 I CB -0.238 37.804 38.000 0.069 0.000 1.051 239 I HN -0.080 nan 8.210 nan 0.000 0.413 240 A N 0.786 123.667 122.820 0.102 0.000 1.902 240 A HA -0.155 4.161 4.320 -0.007 0.000 0.217 240 A C 2.563 180.194 177.584 0.078 0.000 1.181 240 A CA 1.870 53.953 52.037 0.076 0.000 0.623 240 A CB -0.832 18.219 19.000 0.085 0.000 0.818 240 A HN 0.430 nan 8.150 nan 0.000 0.443 241 A N -0.402 122.487 122.820 0.114 0.000 1.858 241 A HA -0.107 4.209 4.320 -0.007 0.000 0.216 241 A C 2.116 179.759 177.584 0.099 0.000 1.190 241 A CA 1.803 53.903 52.037 0.104 0.000 0.617 241 A CB -0.622 18.459 19.000 0.135 0.000 0.827 241 A HN 0.550 nan 8.150 nan 0.000 0.443 242 I N -0.064 120.603 120.570 0.161 0.000 2.394 242 I HA -0.215 3.950 4.170 -0.007 0.000 0.251 242 I C 2.432 178.612 176.117 0.105 0.000 1.136 242 I CA 1.472 62.876 61.300 0.174 0.000 1.425 242 I CB -0.305 37.918 38.000 0.373 0.000 1.079 242 I HN 0.412 nan 8.210 nan 0.000 0.425 243 Q N -1.020 118.812 119.800 0.053 0.000 2.224 243 Q HA -0.236 4.100 4.340 -0.007 0.000 0.203 243 Q C 2.066 178.071 176.000 0.010 0.000 0.970 243 Q CA 1.338 57.136 55.803 -0.007 0.000 0.865 243 Q CB -0.407 28.271 28.738 -0.099 0.000 0.922 243 Q HN 0.682 nan 8.270 nan 0.000 0.445 244 H N 0.828 119.839 119.070 -0.098 0.000 2.357 244 H HA -0.064 4.488 4.556 -0.007 0.000 0.301 244 H C 1.933 177.133 175.328 -0.214 0.000 1.082 244 H CA 0.925 56.871 56.048 -0.170 0.000 1.342 244 H CB 0.201 29.812 29.762 -0.252 0.000 1.389 244 H HN 0.193 nan 8.280 nan 0.000 0.511 245 L N -0.338 120.636 121.223 -0.416 0.000 2.044 245 L HA -0.162 4.174 4.340 -0.007 0.000 0.205 245 L C 1.235 177.701 176.870 -0.673 0.000 1.075 245 L CA 1.172 55.629 54.840 -0.639 0.000 0.747 245 L CB -0.229 41.347 42.059 -0.804 0.000 0.903 245 L HN 0.313 nan 8.230 nan 0.000 0.435 246 Y N -0.740 119.554 120.300 -0.010 0.000 2.641 246 Y HA 0.495 5.041 4.550 -0.007 0.000 0.248 246 Y C 0.945 176.842 175.900 -0.006 0.000 1.170 246 Y CA -0.182 57.919 58.100 0.001 0.000 1.201 246 Y CB 0.361 38.822 38.460 0.001 0.000 1.232 246 Y HN 0.146 nan 8.280 nan 0.000 0.537 247 G N 1.041 109.888 108.800 0.077 0.000 2.712 247 G HA2 0.139 4.095 3.960 -0.007 0.000 0.686 247 G HA3 0.139 4.095 3.960 -0.007 0.000 0.686 247 G C -0.401 174.509 174.900 0.017 0.000 1.321 247 G CA -0.791 44.341 45.100 0.054 0.000 0.813 247 G HN 0.598 nan 8.290 nan 0.000 0.599 248 A N 0.887 123.703 122.820 -0.007 0.000 2.363 248 A HA 0.622 4.938 4.320 -0.007 0.000 0.270 248 A C 0.674 178.286 177.584 0.046 0.000 1.121 248 A CA -0.008 51.965 52.037 -0.106 0.000 0.800 248 A CB 0.619 19.587 19.000 -0.052 0.000 1.052 248 A HN 1.217 nan 8.150 nan 0.000 0.493 249 N N 2.731 121.444 118.700 0.022 0.000 2.448 249 N HA 0.140 4.876 4.740 -0.007 0.000 0.250 249 N C 0.316 176.114 175.510 0.480 0.000 1.136 249 N CA -0.060 53.122 53.050 0.219 0.000 0.953 249 N CB 0.119 38.721 38.487 0.191 0.000 1.251 249 N HN 0.619 nan 8.380 nan 0.000 0.502 250 L N 1.439 122.866 121.223 0.340 0.000 2.645 250 L HA 0.068 4.404 4.340 -0.007 0.000 0.235 250 L C 1.021 178.011 176.870 0.200 0.000 1.150 250 L CA 0.214 55.236 54.840 0.304 0.000 0.911 250 L CB -0.049 42.137 42.059 0.211 0.000 1.077 250 L HN 0.369 nan 8.230 nan 0.000 0.438 251 S N -1.831 113.992 115.700 0.205 0.000 2.539 251 S HA 0.062 4.528 4.470 -0.007 0.000 0.221 251 S C 0.858 175.543 174.600 0.142 0.000 0.987 251 S CA -0.161 58.122 58.200 0.138 0.000 0.929 251 S CB 0.399 63.668 63.200 0.115 0.000 0.832 251 S HN 0.258 nan 8.310 nan 0.000 0.492 252 T N 3.249 117.936 114.554 0.221 0.000 2.814 252 T HA 0.243 4.589 4.350 -0.007 0.000 0.297 252 T C 0.322 175.066 174.700 0.074 0.000 0.956 252 T CA -0.180 62.041 62.100 0.202 0.000 1.123 252 T CB 0.201 69.313 68.868 0.406 0.000 0.902 252 T HN 0.267 nan 8.240 nan 0.000 0.528 253 R N 1.503 122.033 120.500 0.050 0.000 3.158 253 R HA -0.173 4.163 4.340 -0.007 0.000 0.244 253 R C 1.198 177.485 176.300 -0.022 0.000 0.900 253 R CA 0.729 56.828 56.100 -0.003 0.000 0.618 253 R CB -1.995 28.301 30.300 -0.006 0.000 1.061 253 R HN 0.894 nan 8.270 nan 0.000 0.471 254 T N -3.318 111.230 114.554 -0.010 0.000 3.160 254 T HA 0.117 4.463 4.350 -0.007 0.000 0.257 254 T C 1.222 175.911 174.700 -0.020 0.000 1.147 254 T CA 0.312 62.402 62.100 -0.017 0.000 1.064 254 T CB 0.544 69.414 68.868 0.002 0.000 0.949 254 T HN 0.496 nan 8.240 nan 0.000 0.526 255 G N 0.515 109.300 108.800 -0.025 0.000 2.583 255 G HA2 0.472 4.428 3.960 -0.007 0.000 0.280 255 G HA3 0.472 4.428 3.960 -0.007 0.000 0.280 255 G C -1.204 173.677 174.900 -0.033 0.000 1.376 255 G CA -0.821 44.262 45.100 -0.028 0.000 1.043 255 G HN 0.192 nan 8.290 nan 0.000 0.538 256 D N 0.887 121.266 120.400 -0.035 0.000 2.352 256 D HA 0.389 5.025 4.640 -0.007 0.000 0.245 256 D C 0.098 176.364 176.300 -0.056 0.000 1.224 256 D CA 0.387 54.368 54.000 -0.033 0.000 0.879 256 D CB 0.723 41.506 40.800 -0.029 0.000 1.057 256 D HN 0.120 nan 8.370 nan 0.000 0.491 257 T N 0.900 115.421 114.554 -0.055 0.000 2.867 257 T HA 0.509 4.855 4.350 -0.007 0.000 0.282 257 T C 0.168 174.784 174.700 -0.139 0.000 1.000 257 T CA -0.754 61.254 62.100 -0.154 0.000 1.042 257 T CB 1.684 70.412 68.868 -0.233 0.000 0.973 257 T HN -0.057 nan 8.240 nan 0.000 0.465 258 V N 3.204 122.970 119.914 -0.246 0.000 2.448 258 V HA 0.460 4.576 4.120 -0.007 0.000 0.295 258 V C -1.213 174.703 176.094 -0.295 0.000 1.025 258 V CA -0.912 61.308 62.300 -0.135 0.000 0.859 258 V CB 0.832 32.600 31.823 -0.093 0.000 0.988 258 V HN 0.794 nan 8.190 nan 0.000 0.431 259 Y N 2.424 122.700 120.300 -0.040 0.000 2.446 259 Y HA 0.812 5.358 4.550 -0.006 0.000 0.338 259 Y C 1.002 176.837 175.900 -0.108 0.000 1.055 259 Y CA 0.689 58.715 58.100 -0.124 0.000 1.101 259 Y CB 1.958 40.360 38.460 -0.097 0.000 1.221 259 Y HN 0.942 nan 8.280 nan 0.000 0.460 260 G N 1.329 110.176 108.800 0.078 0.000 2.669 260 G HA2 -0.251 3.704 3.960 -0.007 0.000 0.250 260 G HA3 -0.251 3.704 3.960 -0.007 0.000 0.250 260 G C -0.681 174.159 174.900 -0.100 0.000 1.247 260 G CA -0.627 44.564 45.100 0.152 0.000 0.958 260 G HN 0.422 nan 8.290 nan 0.000 0.559 261 F N 2.603 122.557 119.950 0.006 0.000 2.410 261 F HA 0.454 4.976 4.527 -0.009 0.000 0.334 261 F C 1.558 177.310 175.800 -0.079 0.000 1.134 261 F CA 0.984 58.947 58.000 -0.063 0.000 1.227 261 F CB 0.540 39.486 39.000 -0.089 0.000 1.194 261 F HN 0.658 nan 8.300 nan 0.000 0.571 262 N N -0.344 118.411 118.700 0.091 0.000 2.721 262 N HA -0.234 4.501 4.740 -0.007 0.000 0.249 262 N C -0.415 175.063 175.510 -0.054 0.000 1.072 262 N CA 0.389 53.444 53.050 0.008 0.000 0.710 262 N CB -0.914 37.580 38.487 0.011 0.000 0.993 262 N HN 0.442 nan 8.380 nan 0.000 0.547 263 S N 0.824 116.466 115.700 -0.097 0.000 2.576 263 S HA 0.239 4.705 4.470 -0.007 0.000 0.276 263 S C 0.913 175.409 174.600 -0.175 0.000 1.339 263 S CA -0.316 57.782 58.200 -0.171 0.000 1.039 263 S CB 0.486 63.548 63.200 -0.231 0.000 0.902 263 S HN 0.455 nan 8.310 nan 0.000 0.516 264 N N 1.779 120.350 118.700 -0.215 0.000 2.416 264 N HA 0.050 4.785 4.740 -0.007 0.000 0.267 264 N C 0.696 176.071 175.510 -0.225 0.000 1.294 264 N CA 0.177 53.118 53.050 -0.181 0.000 0.891 264 N CB -0.183 38.217 38.487 -0.145 0.000 1.238 264 N HN 0.594 nan 8.380 nan 0.000 0.508 265 T N -4.251 110.125 114.554 -0.296 0.000 3.009 265 T HA 0.225 4.571 4.350 -0.007 0.000 0.258 265 T C 1.464 176.024 174.700 -0.234 0.000 1.063 265 T CA 0.828 62.735 62.100 -0.322 0.000 1.139 265 T CB -0.561 68.026 68.868 -0.467 0.000 0.890 265 T HN 0.373 nan 8.240 nan 0.000 0.471 266 G N 2.145 110.816 108.800 -0.215 0.000 2.221 266 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.265 266 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.265 266 G C -0.152 174.633 174.900 -0.191 0.000 1.041 266 G CA -0.246 44.756 45.100 -0.162 0.000 0.807 266 G HN 0.627 nan 8.290 nan 0.000 0.502 267 R N 0.147 120.458 120.500 -0.314 0.000 2.513 267 R HA 0.313 4.649 4.340 -0.007 0.000 0.301 267 R C 0.978 176.982 176.300 -0.494 0.000 0.968 267 R CA -0.282 55.527 56.100 -0.485 0.000 0.872 267 R CB 1.322 31.106 30.300 -0.860 0.000 1.177 267 R HN 0.349 nan 8.270 nan 0.000 0.444 268 D N 2.734 122.958 120.400 -0.293 0.000 2.178 268 D HA -0.181 4.455 4.640 -0.007 0.000 0.201 268 D C 1.305 177.526 176.300 -0.132 0.000 0.980 268 D CA 1.333 55.245 54.000 -0.147 0.000 0.842 268 D CB -0.156 40.643 40.800 -0.002 0.000 0.948 268 D HN 0.542 nan 8.370 nan 0.000 0.472 269 F N -0.151 119.771 119.950 -0.048 0.000 2.615 269 F HA 0.286 4.809 4.527 -0.006 0.000 0.297 269 F C 1.838 177.604 175.800 -0.058 0.000 1.124 269 F CA -0.076 57.912 58.000 -0.019 0.000 1.451 269 F CB -0.596 38.411 39.000 0.012 0.000 1.103 269 F HN -0.155 nan 8.300 nan 0.000 0.569 270 L N 0.173 121.027 121.223 -0.615 0.000 2.700 270 L HA 0.324 4.660 4.340 -0.007 0.000 0.234 270 L C -0.160 176.484 176.870 -0.378 0.000 1.156 270 L CA -0.108 54.353 54.840 -0.631 0.000 0.946 270 L CB -0.345 41.304 42.059 -0.682 0.000 1.216 270 L HN 0.038 nan 8.230 nan 0.000 0.493 271 S N -1.146 114.399 115.700 -0.259 0.000 2.569 271 S HA 0.675 5.141 4.470 -0.007 0.000 0.280 271 S C -0.431 174.042 174.600 -0.211 0.000 1.111 271 S CA -0.558 57.508 58.200 -0.222 0.000 0.887 271 S CB 2.863 65.925 63.200 -0.230 0.000 1.095 271 S HN 0.071 nan 8.310 nan 0.000 0.476 272 T N -0.276 114.071 114.554 -0.345 0.000 2.894 272 T HA 0.621 4.966 4.350 -0.007 0.000 0.309 272 T C -0.002 174.387 174.700 -0.519 0.000 1.208 272 T CA -0.200 61.621 62.100 -0.464 0.000 1.016 272 T CB 1.478 69.931 68.868 -0.693 0.000 1.192 272 T HN 0.744 nan 8.240 nan 0.000 0.491 273 T N -0.555 113.824 114.554 -0.291 0.000 3.058 273 T HA 0.459 4.805 4.350 -0.007 0.000 0.278 273 T C 0.425 175.170 174.700 0.074 0.000 0.974 273 T CA 0.359 62.411 62.100 -0.080 0.000 0.893 273 T CB -0.234 68.611 68.868 -0.039 0.000 1.138 273 T HN 0.986 nan 8.240 nan 0.000 0.529 274 S N 0.252 115.978 115.700 0.043 0.000 2.588 274 S HA 0.463 4.928 4.470 -0.007 0.000 0.269 274 S C 0.282 175.001 174.600 0.199 0.000 1.157 274 S CA -0.580 57.724 58.200 0.174 0.000 0.824 274 S CB 1.422 64.672 63.200 0.084 0.000 1.126 274 S HN -0.026 nan 8.310 nan 0.000 0.464 275 N N 1.182 120.012 118.700 0.217 0.000 2.223 275 N HA -0.078 4.658 4.740 -0.007 0.000 0.185 275 N C 1.388 177.100 175.510 0.338 0.000 1.016 275 N CA 1.977 55.207 53.050 0.300 0.000 0.863 275 N CB -0.302 38.312 38.487 0.212 0.000 0.983 275 N HN 0.546 nan 8.380 nan 0.000 0.429 276 S N -0.851 114.963 115.700 0.190 0.000 2.489 276 S HA -0.048 4.417 4.470 -0.007 0.000 0.228 276 S C 0.609 175.276 174.600 0.111 0.000 0.995 276 S CA 0.072 58.356 58.200 0.139 0.000 0.934 276 S CB -0.058 63.197 63.200 0.091 0.000 0.771 276 S HN 0.465 nan 8.310 nan 0.000 0.522 277 Q N 2.455 122.315 119.800 0.101 0.000 2.456 277 Q HA 0.123 4.458 4.340 -0.007 0.000 0.234 277 Q C -0.956 175.083 176.000 0.065 0.000 1.061 277 Q CA -0.613 55.202 55.803 0.019 0.000 0.896 277 Q CB 0.288 29.003 28.738 -0.038 0.000 1.233 277 Q HN 0.037 nan 8.270 nan 0.000 0.506 278 K N 1.939 122.308 120.400 -0.052 0.000 2.185 278 K HA 0.280 4.596 4.320 -0.007 0.000 0.271 278 K C 0.041 176.583 176.600 -0.098 0.000 1.013 278 K CA -0.384 55.850 56.287 -0.088 0.000 0.943 278 K CB 0.856 33.199 32.500 -0.262 0.000 0.998 278 K HN 0.418 nan 8.250 nan 0.000 0.468 279 V N -1.174 118.720 119.914 -0.033 0.000 2.732 279 V HA 0.698 4.814 4.120 -0.007 0.000 0.310 279 V C -0.061 176.011 176.094 -0.037 0.000 1.053 279 V CA -1.016 61.322 62.300 0.062 0.000 0.957 279 V CB 1.245 33.241 31.823 0.287 0.000 1.018 279 V HN 0.657 nan 8.190 nan 0.000 0.452 280 I N 4.773 125.396 120.570 0.087 0.000 2.563 280 I HA 0.688 4.854 4.170 -0.007 0.000 0.285 280 I C -0.996 175.228 176.117 0.179 0.000 1.123 280 I CA -0.103 61.190 61.300 -0.012 0.000 1.059 280 I CB 1.578 39.576 38.000 -0.004 0.000 1.229 280 I HN 0.900 nan 8.210 nan 0.000 0.442 281 F N 4.168 124.128 119.950 0.017 0.000 2.773 281 F HA 0.907 5.430 4.527 -0.007 0.000 0.314 281 F C -1.490 174.329 175.800 0.030 0.000 1.160 281 F CA -1.222 56.822 58.000 0.073 0.000 0.920 281 F CB 1.322 40.434 39.000 0.188 0.000 1.323 281 F HN 0.304 nan 8.300 nan 0.000 0.457 282 A N 1.593 124.632 122.820 0.364 0.000 2.310 282 A HA 0.851 5.166 4.320 -0.007 0.000 0.304 282 A C -0.506 177.326 177.584 0.414 0.000 1.231 282 A CA -0.374 51.802 52.037 0.233 0.000 0.799 282 A CB 0.403 19.480 19.000 0.129 0.000 1.162 282 A HN 1.701 nan 8.150 nan 0.000 0.486 283 A N 3.128 126.208 122.820 0.434 0.000 2.454 283 A HA 0.480 4.796 4.320 -0.007 0.000 0.260 283 A C -0.284 177.484 177.584 0.306 0.000 1.106 283 A CA -0.117 52.113 52.037 0.322 0.000 0.780 283 A CB 0.106 19.218 19.000 0.187 0.000 1.044 283 A HN 1.138 nan 8.150 nan 0.000 0.498 284 W N 4.093 125.491 121.300 0.164 0.000 2.538 284 W HA 0.500 5.155 4.660 -0.007 0.000 0.322 284 W C -1.737 174.890 176.519 0.180 0.000 1.028 284 W CA -0.432 57.003 57.345 0.150 0.000 1.228 284 W CB 1.485 31.036 29.460 0.152 0.000 1.356 284 W HN 0.727 nan 8.180 nan 0.000 0.452 285 D N 3.789 123.703 120.400 -0.810 0.000 2.964 285 D HA 0.412 5.048 4.640 -0.007 0.000 0.234 285 D C -0.254 175.594 176.300 -0.754 0.000 1.223 285 D CA -0.185 53.507 54.000 -0.513 0.000 0.889 285 D CB 2.550 43.280 40.800 -0.117 0.000 1.609 285 D HN 0.430 nan 8.370 nan 0.000 0.523 286 A N 1.933 124.468 122.820 -0.475 0.000 2.348 286 A HA 0.614 4.930 4.320 -0.007 0.000 0.224 286 A C 0.807 178.303 177.584 -0.147 0.000 1.227 286 A CA 0.772 52.620 52.037 -0.315 0.000 0.885 286 A CB 0.275 19.222 19.000 -0.088 0.000 0.933 286 A HN 0.639 nan 8.150 nan 0.000 0.506 287 G N -3.152 105.576 108.800 -0.121 0.000 2.338 287 G HA2 0.600 4.555 3.960 -0.007 0.000 0.295 287 G HA3 0.600 4.555 3.960 -0.007 0.000 0.295 287 G C -0.040 174.834 174.900 -0.045 0.000 1.461 287 G CA 0.211 45.272 45.100 -0.065 0.000 0.817 287 G HN 1.911 nan 8.290 nan 0.000 0.556 288 G N -0.502 108.279 108.800 -0.031 0.000 2.631 288 G HA2 0.110 4.066 3.960 -0.007 0.000 0.504 288 G HA3 0.110 4.066 3.960 -0.007 0.000 0.504 288 G C -0.464 174.425 174.900 -0.018 0.000 1.306 288 G CA 0.035 45.123 45.100 -0.021 0.000 0.897 288 G HN 1.328 nan 8.290 nan 0.000 0.520 289 N N 1.507 120.200 118.700 -0.013 0.000 2.527 289 N HA 0.301 5.037 4.740 -0.007 0.000 0.236 289 N C -0.841 174.670 175.510 0.001 0.000 0.999 289 N CA -0.310 52.735 53.050 -0.009 0.000 0.935 289 N CB 0.329 38.811 38.487 -0.008 0.000 1.132 289 N HN 0.525 nan 8.380 nan 0.000 0.511 290 D N 1.783 122.190 120.400 0.011 0.000 2.326 290 D HA 0.371 5.007 4.640 -0.007 0.000 0.251 290 D C -0.286 176.047 176.300 0.055 0.000 1.023 290 D CA -0.033 54.005 54.000 0.064 0.000 0.966 290 D CB 1.888 42.771 40.800 0.139 0.000 1.156 290 D HN 0.289 nan 8.370 nan 0.000 0.494 291 T N 0.752 115.388 114.554 0.136 0.000 2.971 291 T HA 0.263 4.609 4.350 -0.007 0.000 0.304 291 T C -0.748 174.117 174.700 0.274 0.000 1.038 291 T CA -0.557 61.611 62.100 0.113 0.000 1.007 291 T CB 0.805 69.701 68.868 0.045 0.000 1.055 291 T HN 0.099 nan 8.240 nan 0.000 0.451 292 F N 3.278 123.171 119.950 -0.096 0.000 2.377 292 F HA 0.294 4.816 4.527 -0.008 0.000 0.360 292 F C 0.622 176.043 175.800 -0.633 0.000 1.147 292 F CA -1.702 56.070 58.000 -0.380 0.000 1.170 292 F CB 0.360 39.180 39.000 -0.299 0.000 1.339 292 F HN 0.467 nan 8.300 nan 0.000 0.552 293 D N 4.017 124.192 120.400 -0.374 0.000 2.411 293 D HA 0.124 4.760 4.640 -0.007 0.000 0.225 293 D C -0.362 175.869 176.300 -0.117 0.000 1.156 293 D CA -0.070 53.813 54.000 -0.195 0.000 0.874 293 D CB 0.171 40.963 40.800 -0.013 0.000 1.034 293 D HN 0.146 nan 8.370 nan 0.000 0.502 294 F N 1.388 121.511 119.950 0.288 0.000 2.791 294 F HA 0.077 4.599 4.527 -0.007 0.000 0.308 294 F C 2.214 178.080 175.800 0.110 0.000 1.138 294 F CA -0.531 57.694 58.000 0.375 0.000 1.294 294 F CB -0.259 38.981 39.000 0.400 0.000 0.975 294 F HN 0.257 nan 8.300 nan 0.000 0.512 295 S N -0.754 114.941 115.700 -0.008 0.000 2.399 295 S HA -0.120 4.346 4.470 -0.007 0.000 0.231 295 S C 2.279 176.576 174.600 -0.505 0.000 1.022 295 S CA 1.284 59.355 58.200 -0.215 0.000 0.983 295 S CB -0.787 62.284 63.200 -0.216 0.000 0.803 295 S HN 0.400 nan 8.310 nan 0.000 0.480 296 G N -0.439 107.550 108.800 -1.351 0.000 2.744 296 G HA2 0.135 4.091 3.960 -0.007 0.000 0.211 296 G HA3 0.135 4.091 3.960 -0.007 0.000 0.211 296 G C -0.054 174.487 174.900 -0.599 0.000 1.143 296 G CA -0.108 44.145 45.100 -1.412 0.000 0.788 296 G HN 0.489 nan 8.290 nan 0.000 0.534 297 Y N 0.729 120.950 120.300 -0.133 0.000 2.299 297 Y HA 0.328 4.875 4.550 -0.006 0.000 0.326 297 Y C 1.831 177.731 175.900 0.001 0.000 1.164 297 Y CA -0.251 57.884 58.100 0.059 0.000 1.234 297 Y CB 1.605 40.150 38.460 0.141 0.000 1.219 297 Y HN 0.043 nan 8.280 nan 0.000 0.497 298 T N -1.546 113.126 114.554 0.198 0.000 3.060 298 T HA 0.472 4.818 4.350 -0.007 0.000 0.249 298 T C 0.761 175.503 174.700 0.071 0.000 1.079 298 T CA 0.111 62.267 62.100 0.094 0.000 1.013 298 T CB -0.127 68.780 68.868 0.065 0.000 0.975 298 T HN 0.586 nan 8.240 nan 0.000 0.518 299 A N 2.134 125.000 122.820 0.077 0.000 2.332 299 A HA 0.536 4.852 4.320 -0.007 0.000 0.258 299 A C 0.153 177.742 177.584 0.009 0.000 1.087 299 A CA -0.727 51.319 52.037 0.015 0.000 0.802 299 A CB 0.056 19.033 19.000 -0.038 0.000 1.042 299 A HN 0.382 nan 8.150 nan 0.000 0.489 300 N N 1.270 119.962 118.700 -0.013 0.000 2.497 300 N HA 0.272 5.008 4.740 -0.007 0.000 0.268 300 N C -0.327 175.165 175.510 -0.030 0.000 1.171 300 N CA 0.330 53.370 53.050 -0.016 0.000 0.948 300 N CB 0.747 39.217 38.487 -0.028 0.000 1.069 300 N HN 0.638 nan 8.380 nan 0.000 0.460 301 Q N 1.392 121.185 119.800 -0.011 0.000 2.416 301 Q HA 0.573 4.909 4.340 -0.007 0.000 0.279 301 Q C -0.503 175.491 176.000 -0.010 0.000 1.101 301 Q CA -0.824 54.967 55.803 -0.020 0.000 0.830 301 Q CB 2.610 31.361 28.738 0.022 0.000 1.402 301 Q HN 0.281 nan 8.270 nan 0.000 0.445 302 R N 1.319 121.809 120.500 -0.017 0.000 2.473 302 R HA 0.514 4.850 4.340 -0.007 0.000 0.303 302 R C -1.111 175.221 176.300 0.054 0.000 1.002 302 R CA -0.353 55.739 56.100 -0.013 0.000 0.884 302 R CB 1.122 31.365 30.300 -0.094 0.000 1.173 302 R HN 0.535 nan 8.270 nan 0.000 0.464 303 I N 2.367 123.003 120.570 0.111 0.000 2.389 303 I HA 0.266 4.432 4.170 -0.007 0.000 0.288 303 I C -0.328 175.885 176.117 0.159 0.000 0.999 303 I CA -0.822 60.600 61.300 0.203 0.000 1.129 303 I CB 1.746 39.937 38.000 0.319 0.000 1.288 303 I HN 0.358 nan 8.210 nan 0.000 0.444 304 N N 6.914 125.713 118.700 0.165 0.000 2.399 304 N HA 0.393 5.128 4.740 -0.007 0.000 0.280 304 N C -0.244 175.317 175.510 0.085 0.000 1.008 304 N CA -0.492 52.625 53.050 0.111 0.000 0.894 304 N CB 1.786 40.337 38.487 0.107 0.000 1.273 304 N HN 0.586 nan 8.380 nan 0.000 0.486 305 L N 1.786 123.027 121.223 0.029 0.000 2.653 305 L HA 0.255 4.590 4.340 -0.007 0.000 0.232 305 L C 0.338 177.176 176.870 -0.053 0.000 1.169 305 L CA -0.097 54.700 54.840 -0.072 0.000 0.951 305 L CB -0.372 41.624 42.059 -0.105 0.000 1.181 305 L HN 0.359 nan 8.230 nan 0.000 0.460 306 N N 1.897 120.597 118.700 0.000 0.000 2.518 306 N HA 0.084 4.819 4.740 -0.007 0.000 0.283 306 N C -0.040 175.472 175.510 0.003 0.000 1.119 306 N CA -0.172 52.884 53.050 0.010 0.000 0.983 306 N CB 1.184 39.692 38.487 0.036 0.000 1.139 306 N HN 0.297 nan 8.380 nan 0.000 0.465 307 E N 1.268 121.472 120.200 0.006 0.000 2.415 307 E HA -0.024 4.322 4.350 -0.007 0.000 0.262 307 E C -0.343 176.276 176.600 0.031 0.000 1.038 307 E CA -0.070 56.339 56.400 0.016 0.000 0.921 307 E CB 0.480 30.200 29.700 0.034 0.000 0.950 307 E HN 0.454 nan 8.360 nan 0.000 0.438 308 K N -0.573 119.838 120.400 0.019 0.000 3.407 308 K HA -0.206 4.110 4.320 -0.007 0.000 0.312 308 K C -0.225 176.363 176.600 -0.021 0.000 1.302 308 K CA 1.070 57.367 56.287 0.015 0.000 0.931 308 K CB -2.119 30.433 32.500 0.086 0.000 1.257 308 K HN 0.777 nan 8.250 nan 0.000 0.454 309 S N -0.220 115.448 115.700 -0.054 0.000 2.690 309 S HA 0.749 5.215 4.470 -0.007 0.000 0.291 309 S C -0.150 174.334 174.600 -0.192 0.000 1.138 309 S CA -0.923 57.280 58.200 0.005 0.000 1.013 309 S CB 1.139 64.390 63.200 0.085 0.000 1.053 309 S HN 0.150 nan 8.310 nan 0.000 0.539 310 F N 0.644 120.666 119.950 0.120 0.000 2.458 310 F HA 0.651 5.173 4.527 -0.007 0.000 0.330 310 F C 0.677 176.600 175.800 0.205 0.000 1.082 310 F CA -0.322 57.733 58.000 0.092 0.000 0.995 310 F CB 2.347 41.337 39.000 -0.018 0.000 1.170 310 F HN 0.638 nan 8.300 nan 0.000 0.478 311 S N 0.537 116.401 115.700 0.275 0.000 2.599 311 S HA 0.458 4.924 4.470 -0.007 0.000 0.294 311 S C -1.731 172.942 174.600 0.121 0.000 1.094 311 S CA -0.985 57.327 58.200 0.186 0.000 0.931 311 S CB 1.756 65.026 63.200 0.118 0.000 1.093 311 S HN 0.360 nan 8.310 nan 0.000 0.488 312 D N 2.004 122.432 120.400 0.046 0.000 2.454 312 D HA 0.460 5.095 4.640 -0.007 0.000 0.225 312 D C -0.857 175.348 176.300 -0.157 0.000 1.081 312 D CA -0.082 53.900 54.000 -0.030 0.000 0.864 312 D CB 1.284 42.069 40.800 -0.024 0.000 1.040 312 D HN 0.117 nan 8.370 nan 0.000 0.517 313 V N 0.656 120.392 119.914 -0.297 0.000 2.581 313 V HA 0.600 4.716 4.120 -0.007 0.000 0.303 313 V C 1.262 176.983 176.094 -0.622 0.000 1.041 313 V CA -0.570 61.426 62.300 -0.507 0.000 0.907 313 V CB 1.715 33.018 31.823 -0.866 0.000 0.994 313 V HN 0.800 nan 8.190 nan 0.000 0.442 314 G N 3.020 111.327 108.800 -0.821 0.000 2.203 314 G HA2 0.025 3.981 3.960 -0.007 0.000 0.263 314 G HA3 0.025 3.981 3.960 -0.007 0.000 0.263 314 G C 1.141 175.684 174.900 -0.595 0.000 1.012 314 G CA 0.866 45.181 45.100 -1.309 0.000 0.749 314 G HN 2.344 nan 8.290 nan 0.000 0.512 315 G N -2.207 106.392 108.800 -0.335 0.000 2.176 315 G HA2 -0.180 3.776 3.960 -0.007 0.000 0.232 315 G HA3 -0.180 3.776 3.960 -0.007 0.000 0.232 315 G C 0.442 175.248 174.900 -0.157 0.000 0.986 315 G CA 0.551 45.539 45.100 -0.187 0.000 0.643 315 G HN 1.229 nan 8.290 nan 0.000 0.522 316 L N -0.326 120.777 121.223 -0.200 0.000 2.376 316 L HA 0.702 5.038 4.340 -0.007 0.000 0.267 316 L C 0.391 177.197 176.870 -0.107 0.000 1.035 316 L CA -0.998 53.755 54.840 -0.145 0.000 0.800 316 L CB 1.136 43.091 42.059 -0.172 0.000 1.290 316 L HN -0.083 nan 8.230 nan 0.000 0.462 317 K N 0.034 120.395 120.400 -0.064 0.000 2.397 317 K HA 0.362 4.678 4.320 -0.007 0.000 0.253 317 K C 0.180 176.779 176.600 -0.002 0.000 0.932 317 K CA -0.322 55.972 56.287 0.011 0.000 0.795 317 K CB 1.872 34.401 32.500 0.048 0.000 1.159 317 K HN 0.831 nan 8.250 nan 0.000 0.424 318 G N 2.788 111.640 108.800 0.087 0.000 2.321 318 G HA2 -0.304 3.651 3.960 -0.007 0.000 0.287 318 G HA3 -0.304 3.651 3.960 -0.007 0.000 0.287 318 G C 0.510 175.415 174.900 0.008 0.000 1.018 318 G CA 0.887 45.994 45.100 0.011 0.000 0.855 318 G HN 0.826 nan 8.290 nan 0.000 0.507 319 N N -1.236 117.435 118.700 -0.048 0.000 2.373 319 N HA 0.112 4.847 4.740 -0.007 0.000 0.181 319 N C 0.376 175.736 175.510 -0.250 0.000 1.082 319 N CA 0.740 53.708 53.050 -0.137 0.000 0.885 319 N CB 0.575 38.950 38.487 -0.187 0.000 0.977 319 N HN 0.383 nan 8.380 nan 0.000 0.462 320 V N 1.159 120.907 119.914 -0.277 0.000 2.656 320 V HA 0.573 4.689 4.120 -0.007 0.000 0.307 320 V C -0.404 175.487 176.094 -0.337 0.000 1.051 320 V CA -0.672 61.310 62.300 -0.529 0.000 0.893 320 V CB 1.775 33.166 31.823 -0.719 0.000 0.999 320 V HN 0.464 nan 8.190 nan 0.000 0.426 321 S N 4.282 119.761 115.700 -0.369 0.000 2.638 321 S HA 0.813 5.278 4.470 -0.007 0.000 0.274 321 S C -1.147 173.402 174.600 -0.085 0.000 1.157 321 S CA -0.861 57.102 58.200 -0.395 0.000 0.826 321 S CB 2.062 64.733 63.200 -0.880 0.000 1.139 321 S HN 0.448 nan 8.310 nan 0.000 0.474 322 I N 1.414 121.945 120.570 -0.066 0.000 2.418 322 I HA 0.599 4.764 4.170 -0.007 0.000 0.287 322 I C 0.580 176.727 176.117 0.050 0.000 1.008 322 I CA -0.913 60.420 61.300 0.055 0.000 1.104 322 I CB 1.682 39.691 38.000 0.015 0.000 1.264 322 I HN 0.974 nan 8.210 nan 0.000 0.438 323 A N 4.654 127.564 122.820 0.150 0.000 2.429 323 A HA 0.605 4.921 4.320 -0.007 0.000 0.242 323 A C 0.540 178.244 177.584 0.199 0.000 1.088 323 A CA -0.138 52.031 52.037 0.221 0.000 0.784 323 A CB 0.249 19.510 19.000 0.435 0.000 1.038 323 A HN 0.844 nan 8.150 nan 0.000 0.501 324 A N -0.291 122.653 122.820 0.208 0.000 2.477 324 A HA 0.506 4.822 4.320 -0.007 0.000 0.246 324 A C 1.501 179.222 177.584 0.229 0.000 1.078 324 A CA 0.657 52.798 52.037 0.174 0.000 0.770 324 A CB -0.747 18.341 19.000 0.147 0.000 1.011 324 A HN 2.752 nan 8.150 nan 0.000 0.494 325 G N 0.803 109.692 108.800 0.147 0.000 2.157 325 G HA2 -0.134 3.822 3.960 -0.007 0.000 0.248 325 G HA3 -0.134 3.822 3.960 -0.007 0.000 0.248 325 G C 0.086 175.011 174.900 0.042 0.000 0.979 325 G CA 0.157 45.335 45.100 0.129 0.000 0.650 325 G HN 1.380 nan 8.290 nan 0.000 0.529 326 V N 0.979 120.897 119.914 0.006 0.000 2.483 326 V HA 0.711 4.826 4.120 -0.007 0.000 0.295 326 V C 0.332 176.370 176.094 -0.092 0.000 1.035 326 V CA -0.007 62.225 62.300 -0.113 0.000 0.896 326 V CB 1.919 33.666 31.823 -0.127 0.000 0.986 326 V HN 0.263 nan 8.190 nan 0.000 0.447 327 T N 6.032 120.516 114.554 -0.117 0.000 2.842 327 T HA 0.521 4.867 4.350 -0.007 0.000 0.308 327 T C -0.438 174.181 174.700 -0.134 0.000 1.041 327 T CA -0.273 61.765 62.100 -0.102 0.000 0.964 327 T CB 0.453 69.281 68.868 -0.067 0.000 0.972 327 T HN 0.242 nan 8.240 nan 0.000 0.460 328 I N 3.422 123.873 120.570 -0.199 0.000 2.353 328 I HA 0.370 4.535 4.170 -0.007 0.000 0.293 328 I C 0.963 176.964 176.117 -0.193 0.000 0.992 328 I CA -0.705 60.433 61.300 -0.269 0.000 1.268 328 I CB 1.596 39.221 38.000 -0.624 0.000 1.387 328 I HN 0.606 nan 8.210 nan 0.000 0.478 329 E N 3.377 123.504 120.200 -0.121 0.000 2.251 329 E HA 0.105 4.450 4.350 -0.007 0.000 0.194 329 E C -0.243 176.331 176.600 -0.044 0.000 0.964 329 E CA 0.644 57.005 56.400 -0.066 0.000 0.868 329 E CB 0.311 29.994 29.700 -0.030 0.000 0.828 329 E HN 0.542 nan 8.360 nan 0.000 0.481 330 N N -0.150 118.523 118.700 -0.046 0.000 2.312 330 N HA 0.682 5.418 4.740 -0.007 0.000 0.296 330 N C -1.147 174.361 175.510 -0.004 0.000 1.193 330 N CA -0.628 52.420 53.050 -0.004 0.000 0.773 330 N CB 2.165 40.660 38.487 0.014 0.000 1.435 330 N HN 0.010 nan 8.380 nan 0.000 0.484 331 A N 0.620 123.465 122.820 0.042 0.000 2.520 331 A HA 0.737 5.053 4.320 -0.007 0.000 0.298 331 A C -1.303 176.330 177.584 0.082 0.000 1.051 331 A CA -0.594 51.492 52.037 0.081 0.000 0.690 331 A CB 1.055 20.132 19.000 0.128 0.000 1.281 331 A HN 0.585 nan 8.150 nan 0.000 0.402 332 I N 2.255 122.869 120.570 0.072 0.000 2.468 332 I HA 0.474 4.639 4.170 -0.007 0.000 0.285 332 I C 0.908 177.102 176.117 0.127 0.000 1.039 332 I CA -0.566 60.772 61.300 0.063 0.000 1.074 332 I CB 1.986 39.986 38.000 0.001 0.000 1.228 332 I HN 0.813 nan 8.210 nan 0.000 0.436 333 G N 3.584 112.463 108.800 0.132 0.000 2.653 333 G HA2 0.564 4.520 3.960 -0.007 0.000 0.265 333 G HA3 0.564 4.520 3.960 -0.007 0.000 0.265 333 G C 0.230 175.200 174.900 0.117 0.000 1.237 333 G CA 0.020 45.216 45.100 0.159 0.000 0.946 333 G HN 0.701 nan 8.290 nan 0.000 0.522 334 G N -1.643 107.229 108.800 0.119 0.000 2.990 334 G HA2 0.411 4.366 3.960 -0.007 0.000 0.208 334 G HA3 0.411 4.366 3.960 -0.007 0.000 0.208 334 G C 1.200 176.119 174.900 0.032 0.000 1.334 334 G CA 0.726 45.863 45.100 0.063 0.000 1.024 334 G HN 1.107 nan 8.290 nan 0.000 0.574 335 S N -1.103 114.607 115.700 0.017 0.000 2.603 335 S HA 0.284 4.750 4.470 -0.007 0.000 0.220 335 S C 1.175 175.784 174.600 0.016 0.000 0.967 335 S CA 0.363 58.568 58.200 0.007 0.000 0.920 335 S CB -0.128 63.068 63.200 -0.007 0.000 0.773 335 S HN 0.831 nan 8.310 nan 0.000 0.529 336 G N 1.341 110.158 108.800 0.029 0.000 2.557 336 G HA2 0.420 4.376 3.960 -0.007 0.000 0.292 336 G HA3 0.420 4.376 3.960 -0.007 0.000 0.292 336 G C -0.611 174.295 174.900 0.010 0.000 1.237 336 G CA -0.950 44.161 45.100 0.018 0.000 0.978 336 G HN 0.308 nan 8.290 nan 0.000 0.498 337 N N 1.597 120.295 118.700 -0.003 0.000 2.401 337 N HA 0.219 4.955 4.740 -0.007 0.000 0.255 337 N C -0.824 174.678 175.510 -0.014 0.000 1.110 337 N CA -0.001 53.040 53.050 -0.014 0.000 0.949 337 N CB 1.268 39.741 38.487 -0.022 0.000 1.110 337 N HN 0.376 nan 8.380 nan 0.000 0.490 338 D N 0.400 120.795 120.400 -0.008 0.000 2.392 338 D HA 0.453 5.088 4.640 -0.007 0.000 0.246 338 D C -0.149 176.140 176.300 -0.018 0.000 1.013 338 D CA -0.491 53.509 54.000 -0.000 0.000 0.993 338 D CB 1.977 42.802 40.800 0.041 0.000 1.219 338 D HN -0.015 nan 8.370 nan 0.000 0.538 339 V N 1.305 121.210 119.914 -0.016 0.000 2.483 339 V HA 0.432 4.548 4.120 -0.007 0.000 0.297 339 V C -0.214 175.887 176.094 0.012 0.000 1.027 339 V CA -0.622 61.659 62.300 -0.031 0.000 0.855 339 V CB 1.365 33.144 31.823 -0.073 0.000 0.995 339 V HN 0.367 nan 8.190 nan 0.000 0.424 340 I N 5.124 125.714 120.570 0.034 0.000 2.447 340 I HA 0.536 4.702 4.170 -0.007 0.000 0.287 340 I C -0.741 175.437 176.117 0.102 0.000 1.023 340 I CA -0.759 60.590 61.300 0.082 0.000 1.083 340 I CB 2.197 40.257 38.000 0.101 0.000 1.245 340 I HN 0.272 nan 8.210 nan 0.000 0.434 341 V N 5.291 125.273 119.914 0.113 0.000 2.448 341 V HA 0.639 4.755 4.120 -0.007 0.000 0.295 341 V C 0.672 176.857 176.094 0.152 0.000 1.025 341 V CA -0.392 62.015 62.300 0.179 0.000 0.859 341 V CB 1.602 33.487 31.823 0.104 0.000 0.988 341 V HN 0.879 nan 8.190 nan 0.000 0.431 342 G N 3.774 112.671 108.800 0.160 0.000 2.532 342 G HA2 0.535 4.491 3.960 -0.007 0.000 0.291 342 G HA3 0.535 4.491 3.960 -0.007 0.000 0.291 342 G C -0.357 174.591 174.900 0.081 0.000 1.349 342 G CA -0.501 44.643 45.100 0.073 0.000 1.038 342 G HN 0.815 nan 8.290 nan 0.000 0.518 343 N N -2.588 116.132 118.700 0.034 0.000 3.184 343 N HA 0.512 5.248 4.740 -0.007 0.000 0.353 343 N C 0.781 176.306 175.510 0.024 0.000 1.441 343 N CA -0.041 53.032 53.050 0.037 0.000 0.723 343 N CB 0.720 39.212 38.487 0.009 0.000 1.547 343 N HN 0.503 nan 8.380 nan 0.000 0.624 344 A N -1.481 121.355 122.820 0.027 0.000 2.235 344 A HA 0.502 4.817 4.320 -0.007 0.000 0.208 344 A C 0.881 178.476 177.584 0.018 0.000 1.172 344 A CA 0.547 52.600 52.037 0.026 0.000 0.786 344 A CB -1.323 17.698 19.000 0.034 0.000 0.804 344 A HN 0.819 nan 8.150 nan 0.000 0.479 345 A N 0.054 122.880 122.820 0.009 0.000 2.242 345 A HA 0.540 4.856 4.320 -0.007 0.000 0.304 345 A C -0.230 177.362 177.584 0.013 0.000 1.100 345 A CA -0.731 51.310 52.037 0.008 0.000 0.860 345 A CB 0.125 19.122 19.000 -0.004 0.000 1.168 345 A HN 0.307 nan 8.150 nan 0.000 0.503 346 N N 1.451 120.162 118.700 0.020 0.000 2.411 346 N HA 0.249 4.985 4.740 -0.007 0.000 0.259 346 N C -0.989 174.541 175.510 0.034 0.000 1.103 346 N CA 0.201 53.271 53.050 0.033 0.000 0.954 346 N CB 0.293 38.803 38.487 0.038 0.000 1.085 346 N HN 0.608 nan 8.380 nan 0.000 0.485 347 N N -0.179 118.547 118.700 0.044 0.000 2.404 347 N HA 0.543 5.279 4.740 -0.007 0.000 0.297 347 N C -1.079 174.489 175.510 0.096 0.000 1.163 347 N CA -0.815 52.266 53.050 0.051 0.000 0.864 347 N CB 1.991 40.501 38.487 0.038 0.000 1.247 347 N HN 0.043 nan 8.380 nan 0.000 0.510 348 V N 2.108 122.087 119.914 0.108 0.000 2.350 348 V HA 0.393 4.508 4.120 -0.007 0.000 0.285 348 V C -0.775 175.423 176.094 0.173 0.000 1.014 348 V CA -0.568 61.840 62.300 0.180 0.000 0.831 348 V CB 0.522 32.436 31.823 0.152 0.000 1.000 348 V HN 0.449 nan 8.190 nan 0.000 0.433 349 L N 5.582 126.950 121.223 0.241 0.000 2.341 349 L HA 0.677 5.013 4.340 -0.007 0.000 0.278 349 L C -0.292 176.755 176.870 0.295 0.000 1.005 349 L CA -0.681 54.285 54.840 0.209 0.000 0.818 349 L CB 1.945 44.108 42.059 0.174 0.000 1.259 349 L HN 0.474 nan 8.230 nan 0.000 0.418 350 K N 1.492 122.012 120.400 0.202 0.000 2.471 350 K HA 0.369 4.685 4.320 -0.007 0.000 0.252 350 K C 0.617 177.303 176.600 0.143 0.000 0.938 350 K CA -0.569 55.840 56.287 0.204 0.000 0.796 350 K CB 2.423 34.947 32.500 0.041 0.000 1.161 350 K HN 0.773 nan 8.250 nan 0.000 0.425 351 G N 1.704 110.593 108.800 0.148 0.000 2.511 351 G HA2 0.209 4.165 3.960 -0.007 0.000 0.217 351 G HA3 0.209 4.165 3.960 -0.007 0.000 0.217 351 G C 0.729 175.667 174.900 0.062 0.000 1.133 351 G CA 0.639 45.789 45.100 0.083 0.000 0.792 351 G HN 0.957 nan 8.290 nan 0.000 0.539 352 G N -0.374 108.464 108.800 0.063 0.000 2.645 352 G HA2 0.257 4.212 3.960 -0.007 0.000 0.239 352 G HA3 0.257 4.212 3.960 -0.007 0.000 0.239 352 G C 0.498 175.414 174.900 0.027 0.000 1.331 352 G CA -0.005 45.113 45.100 0.030 0.000 0.890 352 G HN 1.379 nan 8.290 nan 0.000 0.572 353 A N -0.689 122.137 122.820 0.010 0.000 2.346 353 A HA 0.884 5.200 4.320 -0.007 0.000 0.255 353 A C 1.811 179.398 177.584 0.005 0.000 1.113 353 A CA 1.950 53.991 52.037 0.007 0.000 0.798 353 A CB -0.160 18.839 19.000 -0.002 0.000 1.073 353 A HN 3.040 nan 8.150 nan 0.000 0.502 354 G N -0.269 108.531 108.800 -0.001 0.000 2.781 354 G HA2 -0.099 3.857 3.960 -0.007 0.000 0.683 354 G HA3 -0.099 3.857 3.960 -0.007 0.000 0.683 354 G C -0.729 174.161 174.900 -0.017 0.000 1.390 354 G CA -0.264 44.832 45.100 -0.007 0.000 0.850 354 G HN 1.085 nan 8.290 nan 0.000 0.557 355 N N 2.198 120.882 118.700 -0.026 0.000 2.469 355 N HA 0.354 5.089 4.740 -0.007 0.000 0.239 355 N C -0.451 175.025 175.510 -0.056 0.000 1.053 355 N CA -0.204 52.819 53.050 -0.044 0.000 0.937 355 N CB 0.900 39.363 38.487 -0.039 0.000 1.163 355 N HN 0.556 nan 8.380 nan 0.000 0.509 356 D N 0.281 120.633 120.400 -0.080 0.000 2.385 356 D HA 0.433 5.068 4.640 -0.007 0.000 0.254 356 D C -0.034 176.177 176.300 -0.149 0.000 1.053 356 D CA -0.460 53.486 54.000 -0.090 0.000 0.992 356 D CB 2.034 42.795 40.800 -0.065 0.000 1.145 356 D HN -0.028 nan 8.370 nan 0.000 0.523 357 V N 1.296 121.136 119.914 -0.124 0.000 2.531 357 V HA 0.355 4.470 4.120 -0.007 0.000 0.301 357 V C -0.622 175.408 176.094 -0.106 0.000 1.034 357 V CA -0.666 61.553 62.300 -0.136 0.000 0.865 357 V CB 1.564 33.335 31.823 -0.087 0.000 0.995 357 V HN 0.283 nan 8.190 nan 0.000 0.424 358 L N 5.314 126.452 121.223 -0.142 0.000 2.365 358 L HA 0.650 4.986 4.340 -0.007 0.000 0.273 358 L C -0.940 175.963 176.870 0.054 0.000 1.000 358 L CA -0.219 54.604 54.840 -0.029 0.000 0.819 358 L CB 1.901 43.944 42.059 -0.027 0.000 1.284 358 L HN 0.618 nan 8.230 nan 0.000 0.418 359 F N 1.000 120.901 119.950 -0.082 0.000 2.612 359 F HA 0.591 5.114 4.527 -0.007 0.000 0.332 359 F C 0.788 176.557 175.800 -0.052 0.000 1.167 359 F CA -0.555 57.376 58.000 -0.114 0.000 0.970 359 F CB 1.891 40.826 39.000 -0.108 0.000 1.234 359 F HN 0.481 nan 8.300 nan 0.000 0.453 360 G N 3.052 111.559 108.800 -0.489 0.000 2.551 360 G HA2 0.355 4.311 3.960 -0.007 0.000 0.216 360 G HA3 0.355 4.311 3.960 -0.007 0.000 0.216 360 G C 0.932 175.585 174.900 -0.412 0.000 1.137 360 G CA 0.564 45.484 45.100 -0.301 0.000 0.798 360 G HN 1.481 nan 8.290 nan 0.000 0.536 361 G N -0.664 107.560 108.800 -0.960 0.000 2.528 361 G HA2 0.191 4.147 3.960 -0.007 0.000 0.262 361 G HA3 0.191 4.147 3.960 -0.007 0.000 0.262 361 G C 0.665 175.443 174.900 -0.203 0.000 1.200 361 G CA 0.089 44.852 45.100 -0.561 0.000 0.951 361 G HN 1.226 nan 8.290 nan 0.000 0.566 362 G N -0.851 107.917 108.800 -0.053 0.000 2.562 362 G HA2 0.770 4.726 3.960 -0.007 0.000 0.275 362 G HA3 0.770 4.726 3.960 -0.007 0.000 0.275 362 G C 1.011 175.917 174.900 0.010 0.000 1.196 362 G CA 1.428 46.531 45.100 0.006 0.000 0.908 362 G HN 2.640 nan 8.290 nan 0.000 0.524 363 G N -1.307 107.511 108.800 0.030 0.000 2.760 363 G HA2 0.389 4.344 3.960 -0.007 0.000 0.246 363 G HA3 0.389 4.344 3.960 -0.007 0.000 0.246 363 G C 0.128 175.052 174.900 0.041 0.000 1.359 363 G CA -0.014 45.106 45.100 0.033 0.000 0.861 363 G HN 2.016 nan 8.290 nan 0.000 0.541 364 A N 0.854 123.704 122.820 0.050 0.000 2.391 364 A HA 0.607 4.923 4.320 -0.007 0.000 0.316 364 A C 0.136 177.773 177.584 0.088 0.000 1.381 364 A CA -0.050 52.030 52.037 0.072 0.000 0.998 364 A CB 0.081 19.128 19.000 0.080 0.000 1.147 364 A HN 0.590 nan 8.150 nan 0.000 0.545 365 D N 1.175 121.633 120.400 0.096 0.000 2.332 365 D HA 0.351 4.987 4.640 -0.007 0.000 0.252 365 D C -0.356 176.037 176.300 0.155 0.000 1.050 365 D CA -0.141 53.923 54.000 0.108 0.000 0.970 365 D CB 1.623 42.468 40.800 0.075 0.000 1.141 365 D HN 0.677 nan 8.370 nan 0.000 0.485 366 E N 1.085 121.383 120.200 0.163 0.000 2.216 366 E HA 0.424 4.770 4.350 -0.007 0.000 0.260 366 E C -1.365 175.346 176.600 0.186 0.000 0.880 366 E CA -0.557 55.941 56.400 0.164 0.000 0.765 366 E CB 0.852 30.674 29.700 0.204 0.000 1.174 366 E HN 0.286 nan 8.360 nan 0.000 0.417 367 L N 4.075 125.341 121.223 0.072 0.000 2.346 367 L HA 0.626 4.962 4.340 -0.007 0.000 0.274 367 L C -1.189 175.704 176.870 0.039 0.000 1.007 367 L CA -0.898 54.065 54.840 0.204 0.000 0.818 367 L CB 1.367 43.623 42.059 0.328 0.000 1.284 367 L HN 0.543 nan 8.230 nan 0.000 0.424 368 W N 0.942 122.418 121.300 0.293 0.000 2.647 368 W HA 0.522 5.179 4.660 -0.005 0.000 0.328 368 W C 0.840 177.539 176.519 0.300 0.000 1.018 368 W CA -0.675 56.828 57.345 0.263 0.000 1.245 368 W CB 1.776 31.324 29.460 0.146 0.000 1.356 368 W HN 0.604 nan 8.180 nan 0.000 0.443 369 G N 1.466 110.620 108.800 0.590 0.000 2.494 369 G HA2 0.358 4.314 3.960 -0.007 0.000 0.216 369 G HA3 0.358 4.314 3.960 -0.007 0.000 0.216 369 G C 0.948 175.973 174.900 0.209 0.000 1.140 369 G CA 0.673 45.963 45.100 0.318 0.000 0.801 369 G HN 1.029 nan 8.290 nan 0.000 0.536 370 G N -0.259 108.703 108.800 0.270 0.000 2.598 370 G HA2 0.241 4.197 3.960 -0.007 0.000 0.244 370 G HA3 0.241 4.197 3.960 -0.007 0.000 0.244 370 G C 0.472 175.437 174.900 0.109 0.000 1.302 370 G CA 0.057 45.263 45.100 0.176 0.000 0.903 370 G HN 1.400 nan 8.290 nan 0.000 0.575 371 A N -0.552 122.307 122.820 0.065 0.000 2.346 371 A HA 0.909 5.224 4.320 -0.007 0.000 0.252 371 A C 1.644 179.238 177.584 0.017 0.000 1.089 371 A CA 1.899 53.958 52.037 0.036 0.000 0.797 371 A CB 0.129 19.143 19.000 0.023 0.000 1.047 371 A HN 3.019 nan 8.150 nan 0.000 0.494 372 G N -0.046 108.755 108.800 0.001 0.000 2.655 372 G HA2 -0.053 3.903 3.960 -0.007 0.000 0.680 372 G HA3 -0.053 3.903 3.960 -0.007 0.000 0.680 372 G C -0.693 174.187 174.900 -0.033 0.000 1.302 372 G CA -0.269 44.822 45.100 -0.015 0.000 0.872 372 G HN 0.922 nan 8.290 nan 0.000 0.540 373 K N 1.509 121.883 120.400 -0.043 0.000 2.250 373 K HA 0.387 4.702 4.320 -0.007 0.000 0.280 373 K C -0.685 175.863 176.600 -0.088 0.000 1.098 373 K CA -0.616 55.634 56.287 -0.062 0.000 0.916 373 K CB 0.949 33.423 32.500 -0.043 0.000 1.209 373 K HN 0.458 nan 8.250 nan 0.000 0.461 374 D N 2.744 123.066 120.400 -0.131 0.000 2.326 374 D HA 0.427 5.063 4.640 -0.007 0.000 0.251 374 D C 0.137 176.248 176.300 -0.315 0.000 1.023 374 D CA -0.415 53.436 54.000 -0.249 0.000 0.966 374 D CB 1.839 42.435 40.800 -0.340 0.000 1.156 374 D HN 0.287 nan 8.370 nan 0.000 0.494 375 I N 0.695 121.016 120.570 -0.415 0.000 2.498 375 I HA 0.295 4.460 4.170 -0.007 0.000 0.290 375 I C -0.939 174.913 176.117 -0.441 0.000 1.032 375 I CA -0.794 60.356 61.300 -0.249 0.000 1.073 375 I CB 1.312 39.269 38.000 -0.072 0.000 1.251 375 I HN 0.074 nan 8.210 nan 0.000 0.426 376 F N 5.364 125.389 119.950 0.124 0.000 2.411 376 F HA 0.489 5.011 4.527 -0.008 0.000 0.352 376 F C 0.058 175.854 175.800 -0.007 0.000 1.123 376 F CA -0.863 57.173 58.000 0.060 0.000 1.044 376 F CB 1.581 40.702 39.000 0.200 0.000 1.135 376 F HN 0.003 nan 8.300 nan 0.000 0.461 377 V N 4.387 124.262 119.914 -0.066 0.000 2.472 377 V HA 0.475 4.591 4.120 -0.007 0.000 0.290 377 V C -0.557 175.342 176.094 -0.325 0.000 1.037 377 V CA -0.852 61.463 62.300 0.025 0.000 0.908 377 V CB 1.383 33.355 31.823 0.249 0.000 0.985 377 V HN 0.483 nan 8.190 nan 0.000 0.454 378 F N 1.728 121.891 119.950 0.355 0.000 2.576 378 F HA 0.570 5.093 4.527 -0.007 0.000 0.313 378 F C 0.699 176.450 175.800 -0.081 0.000 1.078 378 F CA -0.456 57.701 58.000 0.263 0.000 0.921 378 F CB 2.482 41.768 39.000 0.476 0.000 1.232 378 F HN 0.487 nan 8.300 nan 0.000 0.459 379 S N -0.108 115.558 115.700 -0.056 0.000 2.733 379 S HA 0.721 5.187 4.470 -0.007 0.000 0.270 379 S C -0.189 174.116 174.600 -0.492 0.000 1.062 379 S CA 0.129 57.877 58.200 -0.754 0.000 1.256 379 S CB 0.443 63.100 63.200 -0.905 0.000 1.187 379 S HN 0.821 nan 8.310 nan 0.000 0.666 380 A N 0.667 123.553 122.820 0.111 0.000 2.486 380 A HA 0.931 5.247 4.320 -0.007 0.000 0.300 380 A C 0.874 178.755 177.584 0.496 0.000 1.048 380 A CA -0.269 51.974 52.037 0.343 0.000 0.696 380 A CB 0.893 20.003 19.000 0.183 0.000 1.278 380 A HN 0.696 nan 8.150 nan 0.000 0.405 381 A N 1.053 124.106 122.820 0.388 0.000 1.902 381 A HA -0.042 4.274 4.320 -0.007 0.000 0.217 381 A C 2.155 179.946 177.584 0.346 0.000 1.181 381 A CA 2.530 54.782 52.037 0.357 0.000 0.623 381 A CB -0.906 18.165 19.000 0.117 0.000 0.818 381 A HN 1.837 nan 8.150 nan 0.000 0.443 382 S N -0.272 115.563 115.700 0.226 0.000 2.555 382 S HA -0.103 4.362 4.470 -0.007 0.000 0.230 382 S C 1.145 175.842 174.600 0.161 0.000 0.978 382 S CA 1.075 59.368 58.200 0.156 0.000 0.934 382 S CB -0.353 62.917 63.200 0.116 0.000 0.766 382 S HN 0.471 nan 8.310 nan 0.000 0.533 383 D N 2.657 123.200 120.400 0.239 0.000 2.123 383 D HA -0.040 4.596 4.640 -0.007 0.000 0.196 383 D C 0.615 177.017 176.300 0.170 0.000 0.992 383 D CA 1.615 55.738 54.000 0.206 0.000 0.833 383 D CB -0.116 40.883 40.800 0.333 0.000 0.954 383 D HN 0.628 nan 8.370 nan 0.000 0.455 384 S N -0.788 115.012 115.700 0.166 0.000 2.496 384 S HA 0.732 5.198 4.470 -0.007 0.000 0.221 384 S C -0.438 174.080 174.600 -0.136 0.000 1.260 384 S CA -1.016 57.155 58.200 -0.048 0.000 1.181 384 S CB 1.528 64.598 63.200 -0.216 0.000 1.136 384 S HN 0.194 nan 8.310 nan 0.000 0.467 385 A N 3.372 126.159 122.820 -0.055 0.000 2.304 385 A HA 0.839 5.154 4.320 -0.007 0.000 0.301 385 A C -2.794 174.727 177.584 -0.105 0.000 1.132 385 A CA -2.118 49.885 52.037 -0.057 0.000 0.819 385 A CB -0.234 18.766 19.000 0.000 0.000 1.094 385 A HN 0.526 nan 8.150 nan 0.000 0.492 386 P HA 0.266 nan 4.420 nan 0.000 0.264 386 P C 0.945 178.204 177.300 -0.068 0.000 1.193 386 P CA 1.992 65.024 63.100 -0.114 0.000 0.763 386 P CB 0.683 32.325 31.700 -0.097 0.000 0.810 387 G N 2.674 111.436 108.800 -0.062 0.000 2.194 387 G HA2 -0.073 3.883 3.960 -0.007 0.000 0.236 387 G HA3 -0.073 3.883 3.960 -0.007 0.000 0.236 387 G C 0.374 175.269 174.900 -0.007 0.000 0.987 387 G CA 0.058 45.142 45.100 -0.025 0.000 0.635 387 G HN 0.862 nan 8.290 nan 0.000 0.520 388 A N -0.177 122.631 122.820 -0.021 0.000 3.224 388 A HA 0.682 4.998 4.320 -0.007 0.000 0.198 388 A C 0.468 178.042 177.584 -0.017 0.000 1.080 388 A CA 1.158 53.198 52.037 0.006 0.000 1.184 388 A CB -0.486 18.522 19.000 0.013 0.000 1.277 388 A HN 1.829 nan 8.150 nan 0.000 0.680 389 S N -0.340 115.319 115.700 -0.069 0.000 2.624 389 S HA 0.571 5.036 4.470 -0.007 0.000 0.263 389 S C -0.244 174.307 174.600 -0.082 0.000 1.287 389 S CA -0.433 57.674 58.200 -0.156 0.000 0.990 389 S CB 0.860 63.867 63.200 -0.322 0.000 0.950 389 S HN 0.308 nan 8.310 nan 0.000 0.561 390 D N -0.251 120.084 120.400 -0.109 0.000 2.329 390 D HA 0.416 5.051 4.640 -0.007 0.000 0.246 390 D C -1.231 175.015 176.300 -0.088 0.000 1.111 390 D CA 0.059 54.076 54.000 0.028 0.000 0.941 390 D CB 0.422 41.323 40.800 0.169 0.000 1.169 390 D HN 0.621 nan 8.370 nan 0.000 0.441 391 W N 0.666 121.930 121.300 -0.062 0.000 2.739 391 W HA 0.484 5.141 4.660 -0.006 0.000 0.331 391 W C -0.502 175.899 176.519 -0.195 0.000 1.049 391 W CA -0.563 56.701 57.345 -0.134 0.000 1.234 391 W CB 1.034 30.408 29.460 -0.143 0.000 1.404 391 W HN 0.075 nan 8.180 nan 0.000 0.477 392 I N 5.329 125.878 120.570 -0.036 0.000 2.307 392 I HA 0.217 4.382 4.170 -0.007 0.000 0.289 392 I C 1.049 177.033 176.117 -0.222 0.000 1.021 392 I CA -0.778 60.370 61.300 -0.254 0.000 1.224 392 I CB 1.145 38.872 38.000 -0.455 0.000 1.376 392 I HN 0.393 nan 8.210 nan 0.000 0.470 393 R N 3.714 123.913 120.500 -0.500 0.000 2.313 393 R HA 0.015 4.351 4.340 -0.007 0.000 0.199 393 R C -0.139 175.899 176.300 -0.437 0.000 0.958 393 R CA 0.381 56.059 56.100 -0.704 0.000 1.047 393 R CB -0.421 28.753 30.300 -1.877 0.000 0.955 393 R HN 0.730 nan 8.270 nan 0.000 0.481 394 D N -2.051 118.237 120.400 -0.187 0.000 3.279 394 D HA -0.031 4.605 4.640 -0.007 0.000 0.336 394 D C -0.444 175.910 176.300 0.090 0.000 1.512 394 D CA -0.633 53.388 54.000 0.035 0.000 0.754 394 D CB -1.250 39.666 40.800 0.193 0.000 1.278 394 D HN -0.136 nan 8.370 nan 0.000 0.553 395 F N 1.716 121.616 119.950 -0.083 0.000 2.572 395 F HA 0.264 4.787 4.527 -0.007 0.000 0.370 395 F C 0.411 176.217 175.800 0.010 0.000 1.103 395 F CA 0.677 58.645 58.000 -0.054 0.000 1.286 395 F CB 0.801 39.713 39.000 -0.147 0.000 1.105 395 F HN -0.060 nan 8.300 nan 0.000 0.583 396 Q N 5.799 125.372 119.800 -0.378 0.000 2.394 396 Q HA 0.170 4.506 4.340 -0.007 0.000 0.259 396 Q C -0.608 175.312 176.000 -0.134 0.000 1.021 396 Q CA -0.786 54.929 55.803 -0.146 0.000 0.805 396 Q CB 1.369 30.023 28.738 -0.139 0.000 1.226 396 Q HN 0.501 nan 8.270 nan 0.000 0.476 397 K N 1.241 121.742 120.400 0.168 0.000 2.472 397 K HA 0.056 4.372 4.320 -0.007 0.000 0.280 397 K C 0.725 177.379 176.600 0.089 0.000 1.028 397 K CA 1.316 57.738 56.287 0.226 0.000 1.045 397 K CB -0.006 32.565 32.500 0.118 0.000 0.902 397 K HN 0.854 nan 8.250 nan 0.000 0.478 398 G N 3.682 112.544 108.800 0.104 0.000 2.184 398 G HA2 -0.257 3.698 3.960 -0.007 0.000 0.264 398 G HA3 -0.257 3.698 3.960 -0.007 0.000 0.264 398 G C 0.564 175.467 174.900 0.005 0.000 0.975 398 G CA 0.536 45.666 45.100 0.050 0.000 0.642 398 G HN 0.666 nan 8.290 nan 0.000 0.536 399 I N -0.664 119.873 120.570 -0.054 0.000 3.650 399 I HA 0.223 4.389 4.170 -0.007 0.000 0.261 399 I C 0.710 176.743 176.117 -0.140 0.000 1.154 399 I CA -0.180 61.069 61.300 -0.084 0.000 1.418 399 I CB 0.033 37.980 38.000 -0.089 0.000 1.539 399 I HN -0.069 nan 8.210 nan 0.000 0.449 400 D N 2.489 122.684 120.400 -0.341 0.000 2.377 400 D HA 0.359 4.994 4.640 -0.007 0.000 0.245 400 D C -0.276 175.932 176.300 -0.154 0.000 1.196 400 D CA 0.247 54.013 54.000 -0.390 0.000 0.962 400 D CB 0.885 41.200 40.800 -0.808 0.000 1.127 400 D HN 0.030 nan 8.370 nan 0.000 0.471 401 K N 0.225 120.691 120.400 0.111 0.000 2.508 401 K HA 0.524 4.839 4.320 -0.007 0.000 0.260 401 K C -0.784 176.065 176.600 0.416 0.000 0.949 401 K CA -0.722 55.720 56.287 0.258 0.000 0.834 401 K CB 2.276 34.869 32.500 0.155 0.000 1.365 401 K HN 0.274 nan 8.250 nan 0.000 0.437 402 I N 1.422 122.147 120.570 0.259 0.000 2.362 402 I HA 0.119 4.285 4.170 -0.007 0.000 0.289 402 I C -0.454 175.908 176.117 0.409 0.000 0.994 402 I CA -0.577 60.938 61.300 0.359 0.000 1.158 402 I CB 1.494 39.546 38.000 0.086 0.000 1.315 402 I HN 0.455 nan 8.210 nan 0.000 0.451 403 D N 7.732 128.414 120.400 0.470 0.000 2.396 403 D HA 0.261 4.896 4.640 -0.007 0.000 0.225 403 D C 0.279 176.871 176.300 0.486 0.000 1.121 403 D CA -0.097 54.152 54.000 0.416 0.000 0.853 403 D CB 1.320 42.307 40.800 0.312 0.000 1.043 403 D HN 0.498 nan 8.370 nan 0.000 0.500 404 L N 2.848 124.353 121.223 0.470 0.000 2.766 404 L HA -0.018 4.318 4.340 -0.007 0.000 0.242 404 L C 2.344 179.398 176.870 0.307 0.000 1.136 404 L CA -0.056 55.062 54.840 0.463 0.000 0.933 404 L CB 0.146 42.516 42.059 0.518 0.000 1.241 404 L HN 0.326 nan 8.230 nan 0.000 0.522 405 S N 0.661 116.500 115.700 0.233 0.000 2.392 405 S HA -0.313 4.153 4.470 -0.007 0.000 0.232 405 S C 1.860 176.455 174.600 -0.009 0.000 1.041 405 S CA 1.367 59.647 58.200 0.134 0.000 1.026 405 S CB -0.794 62.489 63.200 0.138 0.000 0.845 405 S HN 0.470 nan 8.310 nan 0.000 0.465 406 F N 2.233 121.993 119.950 -0.318 0.000 2.065 406 F HA -0.102 4.421 4.527 -0.007 0.000 0.298 406 F C 1.786 177.360 175.800 -0.377 0.000 1.112 406 F CA 1.658 59.303 58.000 -0.590 0.000 1.212 406 F CB -0.602 37.788 39.000 -1.015 0.000 0.975 406 F HN 0.175 nan 8.300 nan 0.000 0.476 407 F N 0.673 120.644 119.950 0.035 0.000 2.202 407 F HA -0.242 4.280 4.527 -0.007 0.000 0.301 407 F C 2.291 177.992 175.800 -0.166 0.000 1.082 407 F CA 1.378 59.356 58.000 -0.036 0.000 1.313 407 F CB -1.351 37.720 39.000 0.118 0.000 1.024 407 F HN 0.055 nan 8.300 nan 0.000 0.495 408 N N 0.627 119.386 118.700 0.098 0.000 2.109 408 N HA -0.106 4.629 4.740 -0.007 0.000 0.188 408 N C 1.785 177.204 175.510 -0.151 0.000 1.034 408 N CA 1.148 54.226 53.050 0.047 0.000 0.846 408 N CB -0.387 38.164 38.487 0.107 0.000 1.010 408 N HN 0.258 nan 8.380 nan 0.000 0.425 409 K N 1.037 121.298 120.400 -0.232 0.000 2.044 409 K HA -0.174 4.141 4.320 -0.007 0.000 0.210 409 K C 1.891 178.260 176.600 -0.385 0.000 1.049 409 K CA 1.200 57.314 56.287 -0.289 0.000 0.927 409 K CB -0.141 32.152 32.500 -0.345 0.000 0.713 409 K HN 0.341 nan 8.250 nan 0.000 0.443 410 E N 0.719 120.563 120.200 -0.594 0.000 2.110 410 E HA -0.158 4.188 4.350 -0.007 0.000 0.193 410 E C 1.593 177.961 176.600 -0.387 0.000 0.988 410 E CA 0.981 57.058 56.400 -0.539 0.000 0.804 410 E CB 0.004 29.309 29.700 -0.658 0.000 0.745 410 E HN 0.344 nan 8.360 nan 0.000 0.458 411 A N 0.472 123.017 122.820 -0.459 0.000 2.238 411 A HA 0.002 4.318 4.320 -0.007 0.000 0.208 411 A C 0.542 177.948 177.584 -0.296 0.000 1.177 411 A CA 0.680 52.388 52.037 -0.549 0.000 0.804 411 A CB -0.480 17.814 19.000 -1.176 0.000 0.823 411 A HN 0.545 nan 8.150 nan 0.000 0.482 412 N N -1.375 117.191 118.700 -0.222 0.000 2.708 412 N HA -0.158 4.577 4.740 -0.007 0.000 0.251 412 N C -0.186 175.276 175.510 -0.080 0.000 1.123 412 N CA 0.980 53.950 53.050 -0.134 0.000 0.739 412 N CB -1.062 37.359 38.487 -0.110 0.000 1.113 412 N HN 0.390 nan 8.380 nan 0.000 0.561 413 S N -1.696 113.967 115.700 -0.061 0.000 2.546 413 S HA 0.517 4.982 4.470 -0.007 0.000 0.272 413 S C 0.885 175.523 174.600 0.062 0.000 1.140 413 S CA -0.104 58.105 58.200 0.014 0.000 0.920 413 S CB 1.312 64.545 63.200 0.055 0.000 1.083 413 S HN 0.241 nan 8.310 nan 0.000 0.476 414 S N 1.657 117.392 115.700 0.057 0.000 2.414 414 S HA -0.075 4.391 4.470 -0.007 0.000 0.227 414 S C 1.043 175.702 174.600 0.098 0.000 1.022 414 S CA 1.259 59.503 58.200 0.074 0.000 0.958 414 S CB -0.816 62.415 63.200 0.053 0.000 0.797 414 S HN 0.852 nan 8.310 nan 0.000 0.493 415 D N -0.386 120.063 120.400 0.082 0.000 2.319 415 D HA 0.185 4.821 4.640 -0.007 0.000 0.230 415 D C 1.227 177.573 176.300 0.077 0.000 1.094 415 D CA -0.150 53.883 54.000 0.055 0.000 0.856 415 D CB -0.989 39.813 40.800 0.003 0.000 0.915 415 D HN 0.489 nan 8.370 nan 0.000 0.517 416 F N 1.311 121.265 119.950 0.006 0.000 2.051 416 F HA 0.110 4.633 4.527 -0.007 0.000 0.296 416 F C 0.945 176.805 175.800 0.100 0.000 1.122 416 F CA 0.525 58.542 58.000 0.028 0.000 1.201 416 F CB -0.140 38.862 39.000 0.003 0.000 0.978 416 F HN 0.006 nan 8.300 nan 0.000 0.472 417 I N 3.325 123.852 120.570 -0.073 0.000 2.471 417 I HA 0.083 4.249 4.170 -0.007 0.000 0.286 417 I C -0.429 175.561 176.117 -0.211 0.000 1.079 417 I CA 0.265 61.389 61.300 -0.292 0.000 1.398 417 I CB -0.436 37.482 38.000 -0.136 0.000 1.403 417 I HN 0.386 nan 8.210 nan 0.000 0.530 418 H N 5.421 124.195 119.070 -0.492 0.000 2.947 418 H HA 0.345 4.897 4.556 -0.007 0.000 0.354 418 H C -1.649 173.414 175.328 -0.442 0.000 1.085 418 H CA -0.925 54.905 56.048 -0.364 0.000 1.253 418 H CB 0.372 30.004 29.762 -0.218 0.000 1.757 418 H HN 0.147 nan 8.280 nan 0.000 0.523 419 F N 2.747 122.574 119.950 -0.204 0.000 2.467 419 F HA 0.317 4.840 4.527 -0.007 0.000 0.362 419 F C 1.034 176.713 175.800 -0.202 0.000 1.090 419 F CA -0.219 57.628 58.000 -0.255 0.000 1.202 419 F CB 1.208 40.061 39.000 -0.245 0.000 1.113 419 F HN 0.492 nan 8.300 nan 0.000 0.541 420 V N -0.463 119.373 119.914 -0.131 0.000 3.046 420 V HA 0.539 4.655 4.120 -0.007 0.000 0.316 420 V C -0.223 175.763 176.094 -0.180 0.000 1.104 420 V CA -0.901 61.303 62.300 -0.160 0.000 1.006 420 V CB 1.976 33.622 31.823 -0.295 0.000 1.058 420 V HN 0.679 nan 8.190 nan 0.000 0.440 421 D N -0.565 119.779 120.400 -0.093 0.000 2.367 421 D HA 0.115 4.751 4.640 -0.007 0.000 0.207 421 D C 0.530 176.804 176.300 -0.044 0.000 1.034 421 D CA 0.843 54.809 54.000 -0.056 0.000 0.861 421 D CB -0.114 40.697 40.800 0.019 0.000 0.943 421 D HN 0.971 nan 8.370 nan 0.000 0.515 422 H N -1.402 117.535 119.070 -0.222 0.000 3.029 422 H HA 0.320 4.871 4.556 -0.007 0.000 0.358 422 H C -1.595 173.621 175.328 -0.185 0.000 1.129 422 H CA -1.123 54.808 56.048 -0.195 0.000 1.230 422 H CB 0.031 29.747 29.762 -0.077 0.000 1.827 422 H HN -0.228 nan 8.280 nan 0.000 0.530 423 F N 1.651 121.526 119.950 -0.125 0.000 2.429 423 F HA 0.188 4.711 4.527 -0.007 0.000 0.348 423 F C 1.338 177.043 175.800 -0.158 0.000 1.109 423 F CA 0.275 58.169 58.000 -0.177 0.000 1.232 423 F CB 1.517 40.460 39.000 -0.096 0.000 1.157 423 F HN 0.629 nan 8.300 nan 0.000 0.564 424 S N 0.323 116.066 115.700 0.071 0.000 2.549 424 S HA 0.318 4.784 4.470 -0.007 0.000 0.225 424 S C 1.405 176.031 174.600 0.043 0.000 1.039 424 S CA 0.196 58.416 58.200 0.034 0.000 0.942 424 S CB 0.773 63.959 63.200 -0.023 0.000 0.881 424 S HN 1.090 nan 8.310 nan 0.000 0.503 425 G N 1.818 110.634 108.800 0.027 0.000 2.179 425 G HA2 -0.224 3.732 3.960 -0.007 0.000 0.220 425 G HA3 -0.224 3.732 3.960 -0.007 0.000 0.220 425 G C 0.136 175.025 174.900 -0.018 0.000 0.990 425 G CA 0.052 45.139 45.100 -0.021 0.000 0.646 425 G HN 0.458 nan 8.290 nan 0.000 0.517 426 T N 1.587 116.140 114.554 -0.002 0.000 2.918 426 T HA 0.594 4.940 4.350 -0.007 0.000 0.302 426 T C 0.874 175.548 174.700 -0.042 0.000 1.045 426 T CA 0.461 62.564 62.100 0.006 0.000 1.114 426 T CB 1.642 70.535 68.868 0.042 0.000 0.965 426 T HN 1.377 nan 8.240 nan 0.000 0.540 427 A N 1.441 124.248 122.820 -0.023 0.000 2.407 427 A HA 0.564 4.880 4.320 -0.007 0.000 0.248 427 A C 1.558 178.933 177.584 -0.348 0.000 1.082 427 A CA 0.092 52.081 52.037 -0.080 0.000 0.785 427 A CB -0.715 18.359 19.000 0.123 0.000 1.020 427 A HN 1.661 nan 8.150 nan 0.000 0.489 428 G N 0.658 109.053 108.800 -0.676 0.000 2.162 428 G HA2 -0.214 3.742 3.960 -0.007 0.000 0.260 428 G HA3 -0.214 3.742 3.960 -0.007 0.000 0.260 428 G C 0.032 174.388 174.900 -0.907 0.000 0.976 428 G CA 0.563 44.949 45.100 -1.189 0.000 0.655 428 G HN 0.877 nan 8.290 nan 0.000 0.533 429 E N 0.736 120.530 120.200 -0.677 0.000 2.223 429 E HA 0.549 4.894 4.350 -0.007 0.000 0.282 429 E C 0.440 176.839 176.600 -0.334 0.000 1.046 429 E CA 0.314 56.309 56.400 -0.676 0.000 0.857 429 E CB 1.031 30.625 29.700 -0.177 0.000 1.055 429 E HN 0.606 nan 8.360 nan 0.000 0.409 430 A N 3.892 126.373 122.820 -0.564 0.000 2.330 430 A HA 0.573 4.888 4.320 -0.007 0.000 0.327 430 A C -1.315 176.109 177.584 -0.267 0.000 1.155 430 A CA -0.636 51.120 52.037 -0.469 0.000 0.803 430 A CB 0.853 19.138 19.000 -1.192 0.000 1.208 430 A HN 0.425 nan 8.150 nan 0.000 0.477 431 L N 2.908 124.072 121.223 -0.099 0.000 2.404 431 L HA 0.548 4.883 4.340 -0.007 0.000 0.272 431 L C -1.422 175.453 176.870 0.009 0.000 0.980 431 L CA -0.285 54.441 54.840 -0.191 0.000 0.836 431 L CB 1.309 42.909 42.059 -0.765 0.000 1.238 431 L HN 0.669 nan 8.230 nan 0.000 0.408 432 L N 4.552 125.798 121.223 0.039 0.000 2.272 432 L HA 0.678 5.014 4.340 -0.007 0.000 0.289 432 L C -0.356 176.507 176.870 -0.012 0.000 1.032 432 L CA -0.325 54.531 54.840 0.027 0.000 0.810 432 L CB 1.785 43.837 42.059 -0.012 0.000 1.205 432 L HN 0.859 nan 8.230 nan 0.000 0.422 433 S N 2.826 118.527 115.700 0.001 0.000 2.538 433 S HA 0.477 4.943 4.470 -0.007 0.000 0.288 433 S C -1.178 173.465 174.600 0.072 0.000 1.108 433 S CA -0.760 57.450 58.200 0.016 0.000 0.971 433 S CB 1.926 65.118 63.200 -0.013 0.000 1.041 433 S HN 0.411 nan 8.310 nan 0.000 0.483 434 Y N 2.693 122.961 120.300 -0.053 0.000 2.342 434 Y HA 0.600 5.146 4.550 -0.007 0.000 0.334 434 Y C -0.400 175.480 175.900 -0.033 0.000 1.067 434 Y CA -1.047 57.024 58.100 -0.048 0.000 1.128 434 Y CB 1.428 39.863 38.460 -0.041 0.000 1.200 434 Y HN 0.858 nan 8.280 nan 0.000 0.464 435 N N 4.420 122.724 118.700 -0.660 0.000 2.609 435 N HA 0.290 5.026 4.740 -0.007 0.000 0.234 435 N C 0.181 175.145 175.510 -0.909 0.000 1.001 435 N CA 0.333 53.053 53.050 -0.550 0.000 0.926 435 N CB 1.153 39.464 38.487 -0.292 0.000 1.130 435 N HN 0.836 nan 8.380 nan 0.000 0.510 436 A N 2.454 124.843 122.820 -0.718 0.000 2.015 436 A HA -0.111 4.204 4.320 -0.007 0.000 0.219 436 A C 2.147 179.605 177.584 -0.210 0.000 1.163 436 A CA 1.572 53.337 52.037 -0.453 0.000 0.646 436 A CB -0.472 18.460 19.000 -0.113 0.000 0.806 436 A HN 0.651 nan 8.150 nan 0.000 0.448 437 S N -0.603 114.992 115.700 -0.176 0.000 2.368 437 S HA -0.099 4.366 4.470 -0.007 0.000 0.225 437 S C 1.866 176.423 174.600 -0.072 0.000 1.030 437 S CA 2.074 60.219 58.200 -0.091 0.000 0.999 437 S CB -0.239 62.916 63.200 -0.074 0.000 0.844 437 S HN 0.475 nan 8.310 nan 0.000 0.459 438 S N 0.887 116.527 115.700 -0.101 0.000 2.523 438 S HA 0.255 4.721 4.470 -0.007 0.000 0.217 438 S C 0.403 174.996 174.600 -0.012 0.000 0.996 438 S CA 0.292 58.469 58.200 -0.038 0.000 0.921 438 S CB -0.100 63.099 63.200 -0.002 0.000 0.829 438 S HN 0.758 nan 8.310 nan 0.000 0.495 439 N N 1.200 119.848 118.700 -0.087 0.000 2.756 439 N HA -0.164 4.572 4.740 -0.007 0.000 0.248 439 N C -1.301 174.319 175.510 0.182 0.000 1.062 439 N CA 0.353 53.466 53.050 0.104 0.000 0.696 439 N CB -1.583 37.009 38.487 0.175 0.000 0.946 439 N HN 0.115 nan 8.380 nan 0.000 0.548 440 V N 0.822 120.744 119.914 0.013 0.000 2.588 440 V HA 0.530 4.646 4.120 -0.007 0.000 0.304 440 V C 0.410 176.545 176.094 0.068 0.000 1.042 440 V CA -0.521 61.823 62.300 0.073 0.000 0.877 440 V CB 2.057 33.908 31.823 0.046 0.000 0.996 440 V HN 0.279 nan 8.190 nan 0.000 0.425 441 T N 3.557 118.162 114.554 0.086 0.000 2.795 441 T HA 0.369 4.715 4.350 -0.007 0.000 0.282 441 T C -0.678 173.955 174.700 -0.112 0.000 0.980 441 T CA -0.424 61.710 62.100 0.056 0.000 1.012 441 T CB 0.750 69.608 68.868 -0.017 0.000 0.936 441 T HN 0.590 nan 8.240 nan 0.000 0.457 442 D N 2.790 123.132 120.400 -0.097 0.000 2.303 442 D HA 0.309 4.945 4.640 -0.007 0.000 0.236 442 D C -0.769 175.472 176.300 -0.099 0.000 1.068 442 D CA -0.516 53.391 54.000 -0.155 0.000 0.830 442 D CB 2.102 42.825 40.800 -0.129 0.000 1.109 442 D HN 0.225 nan 8.370 nan 0.000 0.496 443 L N 2.222 123.364 121.223 -0.135 0.000 2.276 443 L HA 0.328 4.664 4.340 -0.007 0.000 0.286 443 L C -0.767 176.071 176.870 -0.053 0.000 1.024 443 L CA -0.201 54.623 54.840 -0.027 0.000 0.826 443 L CB 1.282 43.352 42.059 0.019 0.000 1.211 443 L HN 0.062 nan 8.230 nan 0.000 0.422 444 S N 3.787 119.522 115.700 0.059 0.000 2.472 444 S HA 0.859 5.325 4.470 -0.007 0.000 0.303 444 S C -0.811 173.906 174.600 0.196 0.000 1.099 444 S CA -0.586 57.677 58.200 0.104 0.000 1.077 444 S CB 1.830 65.178 63.200 0.248 0.000 1.031 444 S HN 0.430 nan 8.310 nan 0.000 0.487 445 V N 2.963 122.943 119.914 0.110 0.000 2.760 445 V HA 0.463 4.579 4.120 -0.007 0.000 0.309 445 V C -0.635 175.347 176.094 -0.185 0.000 1.077 445 V CA -0.941 61.347 62.300 -0.019 0.000 0.910 445 V CB 2.141 33.908 31.823 -0.093 0.000 1.008 445 V HN 0.804 nan 8.190 nan 0.000 0.424 446 N N 3.818 122.338 118.700 -0.299 0.000 2.817 446 N HA 0.341 5.077 4.740 -0.007 0.000 0.234 446 N C 0.729 176.056 175.510 -0.303 0.000 1.066 446 N CA -0.417 52.420 53.050 -0.356 0.000 0.926 446 N CB 0.529 38.759 38.487 -0.429 0.000 1.176 446 N HN 0.538 nan 8.380 nan 0.000 0.506 447 I N 0.620 121.010 120.570 -0.301 0.000 2.133 447 I HA -0.041 4.125 4.170 -0.007 0.000 0.238 447 I C 1.875 177.944 176.117 -0.079 0.000 1.074 447 I CA 1.151 62.330 61.300 -0.202 0.000 1.342 447 I CB -1.170 36.649 38.000 -0.301 0.000 1.053 447 I HN 0.510 nan 8.210 nan 0.000 0.404 448 G N -0.103 108.544 108.800 -0.255 0.000 3.327 448 G HA2 0.258 4.214 3.960 -0.007 0.000 0.240 448 G HA3 0.258 4.214 3.960 -0.007 0.000 0.240 448 G C 1.141 175.990 174.900 -0.084 0.000 1.222 448 G CA 0.270 45.234 45.100 -0.226 0.000 0.871 448 G HN 0.635 nan 8.290 nan 0.000 0.525 449 G N 0.557 109.316 108.800 -0.068 0.000 2.393 449 G HA2 -0.257 3.699 3.960 -0.007 0.000 0.299 449 G HA3 -0.257 3.699 3.960 -0.007 0.000 0.299 449 G C 0.156 175.158 174.900 0.169 0.000 0.990 449 G CA 0.221 45.336 45.100 0.024 0.000 1.118 449 G HN 0.585 nan 8.290 nan 0.000 0.513 450 H N -1.359 117.653 119.070 -0.097 0.000 2.530 450 H HA 0.718 5.269 4.556 -0.007 0.000 0.342 450 H C 1.640 176.899 175.328 -0.115 0.000 1.312 450 H CA 0.273 56.267 56.048 -0.090 0.000 1.376 450 H CB 0.154 29.862 29.762 -0.090 0.000 1.692 450 H HN 0.386 nan 8.280 nan 0.000 0.622 451 Q N 0.123 119.940 119.800 0.027 0.000 2.084 451 Q HA 0.242 4.578 4.340 -0.007 0.000 0.202 451 Q C 0.855 176.811 176.000 -0.073 0.000 0.978 451 Q CA 1.507 57.293 55.803 -0.028 0.000 0.844 451 Q CB -0.362 28.356 28.738 -0.033 0.000 0.898 451 Q HN 0.777 nan 8.270 nan 0.000 0.426 452 A N 0.239 123.018 122.820 -0.070 0.000 2.355 452 A HA 0.697 5.013 4.320 -0.007 0.000 0.324 452 A C -2.769 174.687 177.584 -0.213 0.000 1.117 452 A CA -1.965 49.985 52.037 -0.146 0.000 0.785 452 A CB 1.252 20.204 19.000 -0.079 0.000 1.254 452 A HN 0.228 nan 8.150 nan 0.000 0.453 453 P HA 0.143 nan 4.420 nan 0.000 0.269 453 P C -0.552 176.625 177.300 -0.206 0.000 1.215 453 P CA 0.333 63.194 63.100 -0.398 0.000 0.780 453 P CB 0.589 32.003 31.700 -0.476 0.000 0.898 454 D N 0.396 120.686 120.400 -0.183 0.000 2.433 454 D HA 0.130 4.766 4.640 -0.007 0.000 0.211 454 D C -0.441 175.861 176.300 0.003 0.000 1.114 454 D CA 0.038 53.977 54.000 -0.102 0.000 0.837 454 D CB -0.356 40.338 40.800 -0.176 0.000 0.984 454 D HN 0.217 nan 8.370 nan 0.000 0.505 455 F N 1.015 120.843 119.950 -0.204 0.000 2.547 455 F HA 0.610 5.133 4.527 -0.007 0.000 0.316 455 F C -2.012 173.677 175.800 -0.184 0.000 1.121 455 F CA -1.503 56.388 58.000 -0.183 0.000 0.911 455 F CB 1.915 40.768 39.000 -0.246 0.000 1.179 455 F HN -0.137 nan 8.300 nan 0.000 0.443 456 L N 7.037 127.791 121.223 -0.782 0.000 2.493 456 L HA 0.795 5.131 4.340 -0.007 0.000 0.265 456 L C -2.014 174.362 176.870 -0.823 0.000 0.954 456 L CA -0.501 53.955 54.840 -0.639 0.000 0.844 456 L CB 2.103 43.948 42.059 -0.357 0.000 1.302 456 L HN 0.404 nan 8.230 nan 0.000 0.405 457 V N 4.521 123.997 119.914 -0.731 0.000 2.531 457 V HA 0.519 4.635 4.120 -0.007 0.000 0.301 457 V C -0.458 175.291 176.094 -0.576 0.000 1.034 457 V CA -0.753 61.139 62.300 -0.681 0.000 0.865 457 V CB 1.862 33.243 31.823 -0.737 0.000 0.995 457 V HN 0.682 nan 8.190 nan 0.000 0.424 458 K N 5.680 125.624 120.400 -0.761 0.000 2.234 458 K HA 0.680 4.995 4.320 -0.007 0.000 0.277 458 K C -1.066 175.058 176.600 -0.794 0.000 1.038 458 K CA -0.334 55.366 56.287 -0.978 0.000 0.888 458 K CB 1.746 33.177 32.500 -1.782 0.000 1.091 458 K HN 0.524 nan 8.250 nan 0.000 0.467 459 I N 2.637 122.928 120.570 -0.466 0.000 2.406 459 I HA 0.177 4.343 4.170 -0.007 0.000 0.290 459 I C -0.255 175.828 176.117 -0.056 0.000 0.999 459 I CA -1.261 59.886 61.300 -0.255 0.000 1.124 459 I CB 1.988 39.789 38.000 -0.332 0.000 1.289 459 I HN 0.192 nan 8.210 nan 0.000 0.441 460 V N 6.273 126.236 119.914 0.080 0.000 2.372 460 V HA 0.720 4.836 4.120 -0.007 0.000 0.261 460 V C 0.713 176.877 176.094 0.117 0.000 1.055 460 V CA 0.455 62.845 62.300 0.150 0.000 0.930 460 V CB -0.127 31.771 31.823 0.126 0.000 1.031 460 V HN 1.107 nan 8.190 nan 0.000 0.479 461 G N 5.125 114.015 108.800 0.150 0.000 2.331 461 G HA2 0.001 3.957 3.960 -0.007 0.000 0.402 461 G HA3 0.001 3.957 3.960 -0.007 0.000 0.402 461 G C -1.265 173.661 174.900 0.045 0.000 1.275 461 G CA -0.833 44.347 45.100 0.134 0.000 1.003 461 G HN 0.506 nan 8.290 nan 0.000 0.500 462 Q N -1.163 118.602 119.800 -0.058 0.000 2.301 462 Q HA 0.697 5.033 4.340 -0.007 0.000 0.267 462 Q C -0.782 175.137 176.000 -0.135 0.000 1.035 462 Q CA -0.991 54.666 55.803 -0.243 0.000 0.856 462 Q CB 2.876 31.385 28.738 -0.383 0.000 1.337 462 Q HN 0.537 nan 8.270 nan 0.000 0.450 463 V N 1.172 120.954 119.914 -0.219 0.000 2.588 463 V HA 0.200 4.316 4.120 -0.007 0.000 0.304 463 V C -0.914 175.130 176.094 -0.083 0.000 1.042 463 V CA -0.826 61.343 62.300 -0.220 0.000 0.877 463 V CB 1.968 33.528 31.823 -0.438 0.000 0.996 463 V HN 0.694 nan 8.190 nan 0.000 0.425 464 D N 3.208 123.613 120.400 0.008 0.000 2.359 464 D HA 0.287 4.923 4.640 -0.007 0.000 0.230 464 D C 0.869 177.208 176.300 0.065 0.000 1.118 464 D CA -0.207 53.801 54.000 0.013 0.000 0.844 464 D CB 2.040 42.859 40.800 0.033 0.000 1.059 464 D HN 0.222 nan 8.370 nan 0.000 0.493 465 V N 3.969 123.880 119.914 -0.004 0.000 2.594 465 V HA -0.197 3.919 4.120 -0.007 0.000 0.253 465 V C 2.324 178.418 176.094 -0.000 0.000 1.069 465 V CA 1.943 64.198 62.300 -0.075 0.000 1.082 465 V CB -0.750 30.768 31.823 -0.508 0.000 0.680 465 V HN 0.681 nan 8.190 nan 0.000 0.469 466 A N 0.367 123.191 122.820 0.007 0.000 2.119 466 A HA -0.068 4.248 4.320 -0.007 0.000 0.217 466 A C 2.158 179.793 177.584 0.085 0.000 1.153 466 A CA 1.930 53.987 52.037 0.034 0.000 0.692 466 A CB -0.348 18.661 19.000 0.015 0.000 0.799 466 A HN 0.650 nan 8.150 nan 0.000 0.458 467 T N -5.624 109.000 114.554 0.117 0.000 3.046 467 T HA 0.128 4.474 4.350 -0.007 0.000 0.270 467 T C 0.077 174.873 174.700 0.159 0.000 0.920 467 T CA 0.348 62.522 62.100 0.124 0.000 0.874 467 T CB 0.005 68.923 68.868 0.084 0.000 1.214 467 T HN 0.126 nan 8.240 nan 0.000 0.536 468 D N 0.800 121.312 120.400 0.187 0.000 2.395 468 D HA 0.398 5.034 4.640 -0.007 0.000 0.226 468 D C -0.781 175.486 176.300 -0.055 0.000 1.146 468 D CA -0.138 53.937 54.000 0.126 0.000 0.830 468 D CB -0.089 40.799 40.800 0.146 0.000 0.958 468 D HN 0.401 nan 8.370 nan 0.000 0.501 469 F N 0.058 120.123 119.950 0.192 0.000 2.563 469 F HA 0.501 5.024 4.527 -0.007 0.000 0.316 469 F C -0.017 175.914 175.800 0.217 0.000 1.076 469 F CA -1.040 57.102 58.000 0.237 0.000 0.921 469 F CB 2.037 41.194 39.000 0.263 0.000 1.209 469 F HN -0.336 nan 8.300 nan 0.000 0.462 470 I N 3.959 124.792 120.570 0.440 0.000 2.410 470 I HA 0.545 4.711 4.170 -0.007 0.000 0.286 470 I C -0.818 175.497 176.117 0.330 0.000 1.009 470 I CA -0.800 60.688 61.300 0.314 0.000 1.111 470 I CB 1.415 39.564 38.000 0.248 0.000 1.262 470 I HN 0.390 nan 8.210 nan 0.000 0.443 471 V N 0.000 120.072 119.914 0.264 0.000 2.409 471 V HA 0.000 4.116 4.120 -0.007 0.000 0.244 471 V CA 0.000 62.434 62.300 0.224 0.000 1.235 471 V CB 0.000 31.949 31.823 0.210 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556