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 2gb3_1_C DATA FIRST_RESID 2 DATA SEQUENCE DVFSDRVLLT EESPIRKLVP FAEXAKKRGV RIHHLNIGQP DLKTPEVFFE DATA SEQUENCE RIYENKPEVV YYSHSAGIWE LREAFASYYK RRQRVDVKPE NVLVTNGGSE DATA SEQUENCE AILFSFAVIA NPGDEILVLE PFYANYNAFA KIAGVKLIPV TRRXEEGFAI DATA SEQUENCE PQNLESFINE RTKGIVLSNP CNPTGVVYGK DEXRYLVEIA ERHGLFLIVD DATA SEQUENCE EVYSEIVFRG EFASALSIES DKVVVIDSVS XKFSACGARV GCLITRNEEL DATA SEQUENCE ISHAXKLAQG RLAPPLLEQI GSVGLLNLDD SFFDFVRETY RERVETVLKK DATA SEQUENCE LEEHGLKRFT KPSGAFYITA ELPVEDAEEF ARWXLTDFNX DGETTXVAPL DATA SEQUENCE RGFYLTPGLG KKEIRIACVL EKDLLSRAID VLXEGLKXFC S 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.074 176.300 -0.377 0.000 2.045 2 D CA 0.000 53.873 54.000 -0.211 0.000 0.868 2 D CB 0.000 40.747 40.800 -0.088 0.000 0.688 3 V N 1.341 121.089 119.914 -0.275 0.000 2.740 3 V HA 0.573 4.692 4.120 -0.001 0.000 0.303 3 V C -0.438 175.411 176.094 -0.407 0.000 1.054 3 V CA -0.012 62.154 62.300 -0.224 0.000 1.106 3 V CB 0.331 32.107 31.823 -0.078 0.000 0.957 3 V HN 0.341 nan 8.190 nan 0.000 0.486 4 F N 3.590 123.545 119.950 0.008 0.000 2.509 4 F HA 0.554 5.081 4.527 -0.001 0.000 0.334 4 F C 0.832 176.638 175.800 0.010 0.000 1.060 4 F CA -0.290 57.715 58.000 0.008 0.000 0.997 4 F CB 1.457 40.461 39.000 0.007 0.000 1.271 4 F HN 0.606 nan 8.300 nan 0.000 0.488 5 S N -0.093 115.737 115.700 0.217 0.000 2.576 5 S HA 0.077 4.547 4.470 -0.001 0.000 0.276 5 S C 0.415 175.076 174.600 0.103 0.000 1.339 5 S CA -0.737 57.535 58.200 0.120 0.000 1.039 5 S CB 0.810 64.068 63.200 0.097 0.000 0.902 5 S HN 0.556 nan 8.310 nan 0.000 0.516 6 D N 2.322 122.765 120.400 0.071 0.000 2.123 6 D HA -0.195 4.445 4.640 -0.001 0.000 0.196 6 D C 2.254 178.583 176.300 0.047 0.000 0.992 6 D CA 1.838 55.871 54.000 0.056 0.000 0.833 6 D CB -0.420 40.406 40.800 0.043 0.000 0.954 6 D HN 0.858 nan 8.370 nan 0.000 0.455 7 R N 0.616 121.145 120.500 0.048 0.000 2.133 7 R HA -0.124 4.216 4.340 -0.001 0.000 0.247 7 R C 2.079 178.395 176.300 0.027 0.000 1.151 7 R CA 1.314 57.438 56.100 0.040 0.000 0.971 7 R CB -0.844 29.483 30.300 0.045 0.000 0.866 7 R HN 0.182 nan 8.270 nan 0.000 0.447 8 V N 0.615 120.548 119.914 0.032 0.000 3.307 8 V HA 0.107 4.227 4.120 -0.001 0.000 0.253 8 V C 1.936 178.023 176.094 -0.012 0.000 1.149 8 V CA 0.423 62.725 62.300 0.003 0.000 1.112 8 V CB 0.090 31.914 31.823 0.001 0.000 0.777 8 V HN 0.295 nan 8.190 nan 0.000 0.464 9 L N -0.580 120.654 121.223 0.018 0.000 2.109 9 L HA -0.044 4.296 4.340 -0.001 0.000 0.207 9 L C 2.215 179.089 176.870 0.007 0.000 1.086 9 L CA 1.375 56.223 54.840 0.014 0.000 0.760 9 L CB -0.309 41.781 42.059 0.051 0.000 0.910 9 L HN 0.290 nan 8.230 nan 0.000 0.437 10 L N -0.987 120.244 121.223 0.013 0.000 2.395 10 L HA -0.023 4.317 4.340 -0.001 0.000 0.218 10 L C 0.658 177.528 176.870 0.000 0.000 1.130 10 L CA 0.271 55.118 54.840 0.011 0.000 0.826 10 L CB -0.707 41.364 42.059 0.020 0.000 0.941 10 L HN 0.126 nan 8.230 nan 0.000 0.451 11 T N 1.674 116.221 114.554 -0.011 0.000 2.743 11 T HA 0.296 4.645 4.350 -0.001 0.000 0.290 11 T C 0.455 175.134 174.700 -0.035 0.000 0.908 11 T CA -0.047 62.037 62.100 -0.027 0.000 1.092 11 T CB 0.511 69.355 68.868 -0.040 0.000 0.882 11 T HN 0.390 nan 8.240 nan 0.000 0.531 12 E N 2.751 122.933 120.200 -0.030 0.000 2.349 12 E HA 0.283 4.632 4.350 -0.001 0.000 0.262 12 E C 0.035 176.608 176.600 -0.045 0.000 1.088 12 E CA -0.758 55.625 56.400 -0.029 0.000 0.899 12 E CB 0.464 30.154 29.700 -0.015 0.000 1.044 12 E HN 0.802 nan 8.360 nan 0.000 0.420 13 E N 0.335 120.510 120.200 -0.041 0.000 2.366 13 E HA 0.287 4.637 4.350 -0.001 0.000 0.266 13 E C -0.014 176.554 176.600 -0.052 0.000 1.051 13 E CA -0.090 56.279 56.400 -0.051 0.000 0.884 13 E CB 0.861 30.536 29.700 -0.041 0.000 1.006 13 E HN 0.567 nan 8.360 nan 0.000 0.417 14 S N 3.930 119.583 115.700 -0.078 0.000 2.593 14 S HA -0.010 4.460 4.470 -0.001 0.000 0.300 14 S C -1.723 172.853 174.600 -0.041 0.000 1.267 14 S CA -0.995 57.148 58.200 -0.095 0.000 1.065 14 S CB 0.519 63.642 63.200 -0.129 0.000 0.807 14 S HN 0.412 nan 8.310 nan 0.000 0.499 15 P HA -0.076 nan 4.420 nan 0.000 0.219 15 P C 1.096 178.423 177.300 0.045 0.000 1.146 15 P CA 1.116 64.229 63.100 0.022 0.000 0.808 15 P CB 0.041 31.761 31.700 0.033 0.000 0.779 16 I N -0.910 119.676 120.570 0.027 0.000 2.193 16 I HA -0.178 3.992 4.170 -0.001 0.000 0.240 16 I C 2.473 178.624 176.117 0.056 0.000 1.084 16 I CA 1.284 62.618 61.300 0.057 0.000 1.365 16 I CB -0.447 37.586 38.000 0.055 0.000 1.064 16 I HN -0.172 nan 8.210 nan 0.000 0.410 17 R N 1.200 121.713 120.500 0.022 0.000 2.152 17 R HA -0.155 4.185 4.340 -0.001 0.000 0.232 17 R C 2.526 178.851 176.300 0.042 0.000 1.117 17 R CA 1.612 57.725 56.100 0.021 0.000 0.981 17 R CB -0.474 29.818 30.300 -0.013 0.000 0.870 17 R HN 0.353 nan 8.270 nan 0.000 0.451 18 K N 1.020 121.455 120.400 0.059 0.000 2.362 18 K HA -0.025 4.294 4.320 -0.001 0.000 0.200 18 K C 1.754 178.480 176.600 0.211 0.000 1.046 18 K CA 1.047 57.395 56.287 0.102 0.000 0.952 18 K CB -0.546 32.020 32.500 0.110 0.000 0.753 18 K HN 0.204 nan 8.250 nan 0.000 0.466 19 L N -0.151 121.192 121.223 0.201 0.000 2.529 19 L HA 0.015 4.355 4.340 -0.001 0.000 0.223 19 L C 2.217 179.227 176.870 0.233 0.000 1.113 19 L CA 0.036 55.050 54.840 0.290 0.000 0.861 19 L CB 0.128 42.284 42.059 0.162 0.000 1.012 19 L HN 0.106 nan 8.230 nan 0.000 0.461 20 V N 0.925 120.916 119.914 0.128 0.000 2.287 20 V HA -0.179 3.940 4.120 -0.001 0.000 0.248 20 V C -0.123 175.991 176.094 0.034 0.000 1.053 20 V CA 2.062 64.409 62.300 0.079 0.000 1.027 20 V CB -1.513 30.334 31.823 0.040 0.000 0.646 20 V HN 0.358 nan 8.190 nan 0.000 0.447 21 P HA -0.119 nan 4.420 nan 0.000 0.216 21 P C 1.542 178.738 177.300 -0.174 0.000 1.150 21 P CA 1.531 64.528 63.100 -0.171 0.000 0.837 21 P CB -0.139 31.356 31.700 -0.342 0.000 0.786 22 F N -0.197 119.755 119.950 0.004 0.000 2.259 22 F HA -0.018 4.508 4.527 -0.001 0.000 0.298 22 F C 2.459 178.251 175.800 -0.013 0.000 1.088 22 F CA 1.079 59.076 58.000 -0.005 0.000 1.358 22 F CB -1.394 37.605 39.000 -0.002 0.000 1.040 22 F HN -0.109 nan 8.300 nan 0.000 0.505 23 A N -0.546 122.378 122.820 0.173 0.000 1.873 23 A HA -0.068 4.252 4.320 -0.001 0.000 0.215 23 A C 1.502 179.124 177.584 0.064 0.000 1.186 23 A CA 0.786 52.883 52.037 0.100 0.000 0.616 23 A CB -0.477 18.594 19.000 0.118 0.000 0.823 23 A HN 0.127 nan 8.150 nan 0.000 0.442 27 K N 0.844 121.236 120.400 -0.013 0.000 2.097 27 K HA -0.122 4.197 4.320 -0.001 0.000 0.206 27 K C 2.162 178.750 176.600 -0.019 0.000 1.049 27 K CA 2.055 58.333 56.287 -0.015 0.000 0.933 27 K CB -0.264 32.239 32.500 0.005 0.000 0.717 27 K HN 0.428 nan 8.250 nan 0.000 0.442 28 K N 1.386 121.776 120.400 -0.016 0.000 2.147 28 K HA -0.118 4.202 4.320 -0.001 0.000 0.205 28 K C 1.921 178.506 176.600 -0.024 0.000 1.049 28 K CA 1.644 57.920 56.287 -0.018 0.000 0.936 28 K CB -0.594 31.897 32.500 -0.016 0.000 0.722 28 K HN 0.336 nan 8.250 nan 0.000 0.446 29 R N -1.175 119.308 120.500 -0.029 0.000 2.323 29 R HA 0.137 4.477 4.340 -0.001 0.000 0.198 29 R C 0.705 176.979 176.300 -0.044 0.000 0.988 29 R CA 0.442 56.521 56.100 -0.036 0.000 1.041 29 R CB 0.074 30.348 30.300 -0.043 0.000 0.926 29 R HN 0.601 nan 8.270 nan 0.000 0.476 30 G N 0.925 109.699 108.800 -0.043 0.000 2.370 30 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.268 30 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.268 30 G C -0.438 174.425 174.900 -0.063 0.000 1.122 30 G CA -0.344 44.728 45.100 -0.047 0.000 0.963 30 G HN 0.112 nan 8.290 nan 0.000 0.500 31 V N -0.208 119.665 119.914 -0.069 0.000 2.487 31 V HA 0.886 5.005 4.120 -0.001 0.000 0.298 31 V C 0.744 176.775 176.094 -0.104 0.000 1.028 31 V CA -0.295 61.948 62.300 -0.094 0.000 0.860 31 V CB 1.517 33.277 31.823 -0.104 0.000 0.991 31 V HN 1.054 nan 8.190 nan 0.000 0.427 32 R N 4.999 125.418 120.500 -0.135 0.000 2.242 32 R HA 0.675 5.015 4.340 -0.001 0.000 0.334 32 R C -0.497 175.626 176.300 -0.295 0.000 1.071 32 R CA -0.076 55.915 56.100 -0.183 0.000 0.922 32 R CB -0.079 30.107 30.300 -0.191 0.000 1.023 32 R HN 0.762 nan 8.270 nan 0.000 0.458 33 I N 3.377 123.788 120.570 -0.266 0.000 2.353 33 I HA 0.268 4.438 4.170 -0.001 0.000 0.293 33 I C -0.044 175.802 176.117 -0.451 0.000 0.992 33 I CA -1.031 60.050 61.300 -0.364 0.000 1.268 33 I CB 1.645 39.412 38.000 -0.388 0.000 1.387 33 I HN 0.617 nan 8.210 nan 0.000 0.478 34 H N 5.484 124.435 119.070 -0.198 0.000 2.761 34 H HA 0.222 4.778 4.556 -0.001 0.000 0.284 34 H C -0.658 174.570 175.328 -0.167 0.000 1.105 34 H CA -0.525 55.458 56.048 -0.108 0.000 1.352 34 H CB 0.138 29.869 29.762 -0.051 0.000 1.423 34 H HN 0.477 nan 8.280 nan 0.000 0.464 35 H N 3.933 123.063 119.070 0.100 0.000 3.004 35 H HA 0.094 4.650 4.556 -0.001 0.000 0.267 35 H C 0.877 176.255 175.328 0.082 0.000 1.165 35 H CA -0.091 56.003 56.048 0.077 0.000 1.450 35 H CB 0.386 30.182 29.762 0.056 0.000 1.488 35 H HN 0.509 nan 8.280 nan 0.000 0.478 36 L N 2.447 123.759 121.223 0.148 0.000 2.910 36 L HA 0.102 4.441 4.340 -0.001 0.000 0.252 36 L C 1.120 178.084 176.870 0.157 0.000 1.195 36 L CA -0.108 54.809 54.840 0.128 0.000 1.003 36 L CB 0.055 42.163 42.059 0.081 0.000 1.328 36 L HN 0.637 nan 8.230 nan 0.000 0.540 37 N N 0.608 119.416 118.700 0.181 0.000 2.325 37 N HA 0.109 4.849 4.740 -0.001 0.000 0.182 37 N C 0.428 176.075 175.510 0.229 0.000 1.088 37 N CA 0.200 53.365 53.050 0.191 0.000 0.879 37 N CB 0.881 39.468 38.487 0.167 0.000 0.983 37 N HN 0.257 nan 8.380 nan 0.000 0.471 38 I N -0.105 120.605 120.570 0.233 0.000 2.569 38 I HA 0.356 4.526 4.170 -0.001 0.000 0.296 38 I C 0.619 176.917 176.117 0.302 0.000 1.028 38 I CA -1.307 60.139 61.300 0.244 0.000 1.082 38 I CB 2.264 40.364 38.000 0.167 0.000 1.264 38 I HN -0.054 nan 8.210 nan 0.000 0.429 39 G N 3.307 112.352 108.800 0.408 0.000 3.452 39 G HA2 0.056 4.015 3.960 -0.001 0.000 0.258 39 G HA3 0.056 4.015 3.960 -0.001 0.000 0.258 39 G C 0.183 175.301 174.900 0.363 0.000 1.305 39 G CA -0.056 45.373 45.100 0.548 0.000 1.514 39 G HN 0.520 nan 8.290 nan 0.000 0.593 40 Q N 1.367 121.283 119.800 0.193 0.000 2.377 40 Q HA 0.381 4.720 4.340 -0.001 0.000 0.249 40 Q C -2.416 173.599 176.000 0.025 0.000 1.005 40 Q CA -2.240 53.631 55.803 0.113 0.000 0.912 40 Q CB 1.239 30.023 28.738 0.076 0.000 1.223 40 Q HN 0.048 nan 8.270 nan 0.000 0.459 41 P HA 0.024 nan 4.420 nan 0.000 0.269 41 P C -0.456 176.836 177.300 -0.014 0.000 1.209 41 P CA 0.018 63.089 63.100 -0.048 0.000 0.776 41 P CB 0.708 32.441 31.700 0.055 0.000 0.876 42 D N 1.969 122.345 120.400 -0.040 0.000 2.349 42 D HA 0.000 4.640 4.640 -0.001 0.000 0.214 42 D C 0.322 176.618 176.300 -0.008 0.000 1.063 42 D CA 0.272 54.259 54.000 -0.022 0.000 0.847 42 D CB -0.368 40.410 40.800 -0.037 0.000 0.933 42 D HN 0.238 nan 8.370 nan 0.000 0.513 43 L N 0.956 122.179 121.223 -0.000 0.000 2.456 43 L HA 0.114 4.454 4.340 -0.001 0.000 0.272 43 L C 1.017 177.933 176.870 0.077 0.000 1.189 43 L CA -0.369 54.493 54.840 0.036 0.000 0.846 43 L CB 0.483 42.573 42.059 0.052 0.000 1.111 43 L HN -0.236 nan 8.230 nan 0.000 0.475 44 K N 1.853 122.308 120.400 0.091 0.000 2.451 44 K HA 0.079 4.399 4.320 -0.001 0.000 0.280 44 K C -0.094 176.586 176.600 0.134 0.000 1.020 44 K CA 0.050 56.396 56.287 0.098 0.000 1.008 44 K CB 0.310 32.860 32.500 0.082 0.000 0.917 44 K HN 0.525 nan 8.250 nan 0.000 0.478 45 T N 5.750 120.385 114.554 0.135 0.000 2.834 45 T HA 0.125 4.474 4.350 -0.001 0.000 0.298 45 T C -2.138 172.647 174.700 0.141 0.000 0.966 45 T CA -1.023 61.138 62.100 0.101 0.000 1.141 45 T CB 0.342 69.222 68.868 0.019 0.000 0.905 45 T HN 0.260 nan 8.240 nan 0.000 0.535 46 P HA 0.198 nan 4.420 nan 0.000 0.264 46 P C 1.028 178.393 177.300 0.108 0.000 1.183 46 P CA 0.255 63.370 63.100 0.025 0.000 0.763 46 P CB 0.323 31.909 31.700 -0.191 0.000 0.807 47 E N 2.599 122.874 120.200 0.124 0.000 2.209 47 E HA -0.186 4.163 4.350 -0.001 0.000 0.196 47 E C 1.845 178.543 176.600 0.163 0.000 0.993 47 E CA 1.699 58.220 56.400 0.201 0.000 0.819 47 E CB -1.245 28.509 29.700 0.091 0.000 0.745 47 E HN 0.344 nan 8.360 nan 0.000 0.477 48 V N -0.542 119.396 119.914 0.040 0.000 2.453 48 V HA -0.212 3.907 4.120 -0.001 0.000 0.252 48 V C 2.215 178.298 176.094 -0.019 0.000 1.068 48 V CA 2.456 64.748 62.300 -0.015 0.000 1.070 48 V CB -0.537 31.231 31.823 -0.091 0.000 0.664 48 V HN 0.694 nan 8.190 nan 0.000 0.461 49 F N 0.453 120.282 119.950 -0.202 0.000 2.095 49 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 49 F C 1.818 177.426 175.800 -0.319 0.000 1.104 49 F CA 2.368 60.161 58.000 -0.344 0.000 1.232 49 F CB -0.413 38.268 39.000 -0.531 0.000 0.987 49 F HN 0.276 nan 8.300 nan 0.000 0.475 50 F N 0.645 120.644 119.950 0.082 0.000 2.234 50 F HA -0.038 4.489 4.527 -0.001 0.000 0.296 50 F C 2.349 178.129 175.800 -0.034 0.000 1.089 50 F CA 1.243 59.243 58.000 -0.001 0.000 1.343 50 F CB -0.903 38.145 39.000 0.078 0.000 1.040 50 F HN -0.025 nan 8.300 nan 0.000 0.498 51 E N 0.108 120.396 120.200 0.145 0.000 2.051 51 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 51 E C 2.224 178.858 176.600 0.057 0.000 0.991 51 E CA 1.168 57.623 56.400 0.091 0.000 0.799 51 E CB -0.199 29.529 29.700 0.048 0.000 0.748 51 E HN 0.086 nan 8.360 nan 0.000 0.449 52 R N 1.166 121.641 120.500 -0.042 0.000 2.091 52 R HA -0.127 4.213 4.340 -0.001 0.000 0.238 52 R C 2.030 178.264 176.300 -0.111 0.000 1.136 52 R CA 1.281 57.325 56.100 -0.093 0.000 0.959 52 R CB -0.434 29.764 30.300 -0.170 0.000 0.856 52 R HN 0.196 nan 8.270 nan 0.000 0.437 53 I N -0.962 119.509 120.570 -0.164 0.000 2.202 53 I HA -0.258 3.912 4.170 -0.001 0.000 0.242 53 I C 1.933 178.031 176.117 -0.031 0.000 1.091 53 I CA 1.311 62.518 61.300 -0.155 0.000 1.368 53 I CB -0.408 37.452 38.000 -0.234 0.000 1.058 53 I HN 0.192 nan 8.210 nan 0.000 0.410 54 Y N 1.914 122.179 120.300 -0.060 0.000 2.181 54 Y HA -0.251 4.298 4.550 -0.001 0.000 0.288 54 Y C 2.402 178.283 175.900 -0.032 0.000 1.146 54 Y CA 1.749 59.833 58.100 -0.027 0.000 1.164 54 Y CB -0.117 38.343 38.460 0.000 0.000 0.982 54 Y HN 0.162 nan 8.280 nan 0.000 0.515 55 E N -0.396 119.837 120.200 0.054 0.000 2.150 55 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 55 E C 0.256 176.806 176.600 -0.084 0.000 0.985 55 E CA 0.914 57.304 56.400 -0.017 0.000 0.814 55 E CB -0.037 29.686 29.700 0.038 0.000 0.752 55 E HN 0.435 nan 8.360 nan 0.000 0.466 56 N N 0.553 119.203 118.700 -0.084 0.000 2.610 56 N HA 0.071 4.811 4.740 -0.001 0.000 0.309 56 N C -0.682 174.769 175.510 -0.098 0.000 1.536 56 N CA 0.074 53.077 53.050 -0.078 0.000 0.954 56 N CB 0.803 39.254 38.487 -0.060 0.000 1.310 56 N HN 0.014 nan 8.380 nan 0.000 0.502 57 K N 1.866 122.185 120.400 -0.136 0.000 2.382 57 K HA 0.227 4.547 4.320 -0.001 0.000 0.286 57 K C -2.018 174.526 176.600 -0.092 0.000 1.062 57 K CA -0.966 55.241 56.287 -0.133 0.000 1.000 57 K CB -0.712 31.676 32.500 -0.187 0.000 0.954 57 K HN 0.170 nan 8.250 nan 0.000 0.470 58 P HA 0.350 nan 4.420 nan 0.000 0.282 58 P C 0.740 178.026 177.300 -0.023 0.000 1.249 58 P CA 0.141 63.224 63.100 -0.028 0.000 0.806 58 P CB 1.432 33.103 31.700 -0.048 0.000 0.984 59 E N 1.388 121.596 120.200 0.013 0.000 2.150 59 E HA 0.036 4.386 4.350 -0.001 0.000 0.193 59 E C 0.747 177.357 176.600 0.016 0.000 0.985 59 E CA 0.981 57.385 56.400 0.007 0.000 0.814 59 E CB -0.258 29.451 29.700 0.014 0.000 0.752 59 E HN 0.362 nan 8.360 nan 0.000 0.466 60 V N 0.754 120.702 119.914 0.057 0.000 2.483 60 V HA 0.346 4.466 4.120 -0.001 0.000 0.297 60 V C -0.193 175.909 176.094 0.014 0.000 1.027 60 V CA -0.875 61.465 62.300 0.066 0.000 0.855 60 V CB 1.983 33.888 31.823 0.137 0.000 0.995 60 V HN 0.219 nan 8.190 nan 0.000 0.424 61 V N 6.702 126.568 119.914 -0.079 0.000 2.287 61 V HA 0.163 4.283 4.120 -0.001 0.000 0.246 61 V C -0.010 175.964 176.094 -0.200 0.000 1.165 61 V CA -0.327 61.849 62.300 -0.207 0.000 1.088 61 V CB -1.339 30.389 31.823 -0.157 0.000 1.242 61 V HN 0.803 nan 8.190 nan 0.000 0.497 62 Y N 2.336 122.593 120.300 -0.072 0.000 2.334 62 Y HA 0.683 5.233 4.550 -0.001 0.000 0.325 62 Y C -0.229 175.637 175.900 -0.058 0.000 1.308 62 Y CA -2.245 55.805 58.100 -0.083 0.000 1.389 62 Y CB 0.157 38.616 38.460 -0.000 0.000 1.328 62 Y HN 0.361 nan 8.280 nan 0.000 0.532 63 Y N 1.481 121.947 120.300 0.278 0.000 2.465 63 Y HA 0.247 4.797 4.550 -0.000 0.000 0.331 63 Y C 1.086 177.181 175.900 0.324 0.000 1.102 63 Y CA 0.035 58.251 58.100 0.194 0.000 1.358 63 Y CB 0.355 38.889 38.460 0.123 0.000 1.213 63 Y HN 0.823 nan 8.280 nan 0.000 0.525 64 S N 2.839 118.784 115.700 0.409 0.000 2.640 64 S HA 0.104 4.573 4.470 -0.001 0.000 0.262 64 S C 0.031 174.818 174.600 0.310 0.000 1.232 64 S CA -0.839 57.603 58.200 0.404 0.000 0.988 64 S CB 0.345 63.721 63.200 0.292 0.000 1.034 64 S HN 0.789 nan 8.310 nan 0.000 0.569 65 H N 0.355 119.541 119.070 0.192 0.000 2.897 65 H HA 0.107 4.663 4.556 -0.001 0.000 0.347 65 H C 1.190 176.590 175.328 0.121 0.000 1.068 65 H CA 0.819 56.946 56.048 0.131 0.000 1.426 65 H CB 0.624 30.466 29.762 0.132 0.000 1.410 65 H HN 0.723 nan 8.280 nan 0.000 0.597 66 S N 3.527 119.098 115.700 -0.216 0.000 2.387 66 S HA -0.207 4.263 4.470 -0.001 0.000 0.230 66 S C 2.029 176.690 174.600 0.102 0.000 1.035 66 S CA 1.375 59.534 58.200 -0.070 0.000 1.014 66 S CB -0.165 62.927 63.200 -0.181 0.000 0.836 66 S HN 0.737 nan 8.310 nan 0.000 0.466 67 A N 0.550 123.538 122.820 0.281 0.000 2.206 67 A HA 0.514 4.833 4.320 -0.001 0.000 0.211 67 A C 1.082 178.820 177.584 0.256 0.000 1.158 67 A CA 0.758 52.964 52.037 0.282 0.000 0.761 67 A CB -0.647 18.549 19.000 0.325 0.000 0.801 67 A HN 0.888 nan 8.150 nan 0.000 0.473 68 G N -1.272 107.706 108.800 0.297 0.000 2.497 68 G HA2 0.014 3.973 3.960 -0.001 0.000 0.686 68 G HA3 0.014 3.973 3.960 -0.001 0.000 0.686 68 G C -0.470 174.580 174.900 0.249 0.000 1.288 68 G CA -0.600 44.639 45.100 0.231 0.000 0.899 68 G HN 0.494 nan 8.290 nan 0.000 0.608 69 I N 1.441 122.134 120.570 0.206 0.000 2.710 69 I HA -0.028 4.142 4.170 -0.001 0.000 0.286 69 I C 1.825 178.064 176.117 0.204 0.000 1.181 69 I CA -0.138 61.288 61.300 0.210 0.000 1.430 69 I CB 0.657 38.748 38.000 0.152 0.000 1.367 69 I HN 0.732 nan 8.210 nan 0.000 0.577 70 W N 5.930 127.246 121.300 0.027 0.000 2.321 70 W HA -0.235 4.424 4.660 -0.001 0.000 0.306 70 W C 1.880 178.418 176.519 0.030 0.000 1.217 70 W CA 1.873 59.217 57.345 -0.002 0.000 1.257 70 W CB 0.109 29.548 29.460 -0.035 0.000 1.145 70 W HN 0.739 nan 8.180 nan 0.000 0.509 71 E N 0.342 120.572 120.200 0.050 0.000 2.153 71 E HA -0.267 4.083 4.350 -0.001 0.000 0.194 71 E C 2.238 178.775 176.600 -0.105 0.000 0.988 71 E CA 1.363 57.730 56.400 -0.054 0.000 0.811 71 E CB -0.359 29.361 29.700 0.034 0.000 0.746 71 E HN 0.212 nan 8.360 nan 0.000 0.466 72 L N 0.976 122.173 121.223 -0.042 0.000 2.109 72 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 72 L C 2.076 178.976 176.870 0.051 0.000 1.086 72 L CA 1.469 56.301 54.840 -0.013 0.000 0.760 72 L CB -0.167 41.932 42.059 0.068 0.000 0.910 72 L HN -0.035 nan 8.230 nan 0.000 0.437 73 R N -0.404 120.073 120.500 -0.038 0.000 2.096 73 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 73 R C 2.094 178.273 176.300 -0.201 0.000 1.127 73 R CA 1.649 57.695 56.100 -0.090 0.000 0.968 73 R CB -0.326 29.822 30.300 -0.255 0.000 0.861 73 R HN 0.509 nan 8.270 nan 0.000 0.440 74 E N 0.541 120.503 120.200 -0.396 0.000 2.106 74 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 74 E C 2.081 178.621 176.600 -0.100 0.000 0.984 74 E CA 0.986 57.199 56.400 -0.313 0.000 0.806 74 E CB -0.066 29.416 29.700 -0.363 0.000 0.750 74 E HN 0.351 nan 8.360 nan 0.000 0.458 75 A N 0.833 123.600 122.820 -0.089 0.000 1.902 75 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 75 A C 1.881 179.466 177.584 0.002 0.000 1.181 75 A CA 1.201 53.192 52.037 -0.077 0.000 0.623 75 A CB -0.735 18.156 19.000 -0.182 0.000 0.818 75 A HN 0.161 nan 8.150 nan 0.000 0.443 76 F N 0.138 120.129 119.950 0.067 0.000 2.134 76 F HA -0.073 4.453 4.527 -0.001 0.000 0.299 76 F C 2.811 178.771 175.800 0.267 0.000 1.097 76 F CA 1.030 59.146 58.000 0.194 0.000 1.264 76 F CB -0.583 38.495 39.000 0.129 0.000 1.001 76 F HN 0.259 nan 8.300 nan 0.000 0.479 77 A N -0.595 122.392 122.820 0.279 0.000 1.883 77 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 77 A C 2.393 180.092 177.584 0.192 0.000 1.186 77 A CA 2.220 54.364 52.037 0.178 0.000 0.624 77 A CB -1.176 17.845 19.000 0.033 0.000 0.822 77 A HN 0.321 nan 8.150 nan 0.000 0.444 78 S N -1.680 114.104 115.700 0.139 0.000 2.382 78 S HA -0.163 4.307 4.470 -0.001 0.000 0.228 78 S C 1.798 176.477 174.600 0.132 0.000 1.027 78 S CA 1.428 59.691 58.200 0.106 0.000 0.991 78 S CB -0.578 62.662 63.200 0.067 0.000 0.823 78 S HN 0.708 nan 8.310 nan 0.000 0.469 79 Y N 1.278 121.638 120.300 0.099 0.000 2.097 79 Y HA -0.258 4.291 4.550 -0.001 0.000 0.282 79 Y C 1.978 177.886 175.900 0.014 0.000 1.152 79 Y CA 1.472 59.605 58.100 0.056 0.000 1.136 79 Y CB -0.740 37.771 38.460 0.085 0.000 0.975 79 Y HN 0.207 nan 8.280 nan 0.000 0.498 80 Y N 0.799 121.092 120.300 -0.011 0.000 2.207 80 Y HA -0.219 4.330 4.550 -0.000 0.000 0.287 80 Y C 2.359 178.182 175.900 -0.128 0.000 1.156 80 Y CA 2.073 60.113 58.100 -0.100 0.000 1.182 80 Y CB -0.291 38.221 38.460 0.087 0.000 0.979 80 Y HN 0.144 nan 8.280 nan 0.000 0.521 81 K N -0.382 120.048 120.400 0.050 0.000 2.031 81 K HA -0.087 4.233 4.320 -0.001 0.000 0.205 81 K C 2.193 178.754 176.600 -0.064 0.000 1.049 81 K CA 1.200 57.493 56.287 0.009 0.000 0.939 81 K CB -0.167 32.352 32.500 0.032 0.000 0.717 81 K HN 0.192 nan 8.250 nan 0.000 0.438 82 R N 0.341 120.781 120.500 -0.099 0.000 2.066 82 R HA 0.014 4.353 4.340 -0.001 0.000 0.232 82 R C 2.343 178.517 176.300 -0.211 0.000 1.131 82 R CA 1.094 57.124 56.100 -0.118 0.000 0.955 82 R CB 0.015 30.267 30.300 -0.079 0.000 0.851 82 R HN 0.065 nan 8.270 nan 0.000 0.432 83 R N -0.125 120.120 120.500 -0.426 0.000 2.123 83 R HA 0.085 4.425 4.340 -0.001 0.000 0.209 83 R C 1.847 177.886 176.300 -0.434 0.000 1.078 83 R CA 0.790 56.566 56.100 -0.541 0.000 1.028 83 R CB 0.018 29.728 30.300 -0.983 0.000 0.939 83 R HN 0.215 nan 8.270 nan 0.000 0.463 84 Q N 0.758 120.280 119.800 -0.464 0.000 2.319 84 Q HA 0.160 4.500 4.340 -0.001 0.000 0.202 84 Q C -0.183 175.772 176.000 -0.075 0.000 0.896 84 Q CA -0.124 55.547 55.803 -0.219 0.000 0.942 84 Q CB 0.449 29.061 28.738 -0.211 0.000 1.083 84 Q HN 0.057 nan 8.270 nan 0.000 0.510 85 R N -0.335 120.115 120.500 -0.084 0.000 3.416 85 R HA -0.126 4.214 4.340 -0.001 0.000 0.263 85 R C -0.851 175.456 176.300 0.012 0.000 1.053 85 R CA 0.267 56.349 56.100 -0.030 0.000 0.705 85 R CB -2.989 27.294 30.300 -0.028 0.000 1.124 85 R HN 0.023 nan 8.270 nan 0.000 0.444 86 V N 0.328 120.273 119.914 0.051 0.000 2.540 86 V HA 0.246 4.366 4.120 -0.001 0.000 0.302 86 V C 0.302 176.444 176.094 0.079 0.000 1.035 86 V CA -0.995 61.355 62.300 0.084 0.000 0.873 86 V CB 2.514 34.436 31.823 0.164 0.000 0.992 86 V HN 0.028 nan 8.190 nan 0.000 0.428 87 D N 3.739 124.168 120.400 0.049 0.000 2.393 87 D HA 0.397 5.037 4.640 -0.001 0.000 0.232 87 D C -0.642 175.679 176.300 0.034 0.000 1.192 87 D CA 0.278 54.303 54.000 0.041 0.000 0.882 87 D CB 1.044 41.861 40.800 0.028 0.000 1.038 87 D HN 0.261 nan 8.370 nan 0.000 0.499 88 V N 4.500 124.439 119.914 0.041 0.000 2.680 88 V HA 0.419 4.539 4.120 -0.001 0.000 0.309 88 V C 0.251 176.356 176.094 0.018 0.000 1.052 88 V CA -0.997 61.311 62.300 0.013 0.000 0.908 88 V CB 2.170 33.986 31.823 -0.011 0.000 1.001 88 V HN 0.275 nan 8.190 nan 0.000 0.431 89 K N 3.873 124.277 120.400 0.008 0.000 2.118 89 K HA 0.477 4.796 4.320 -0.001 0.000 0.254 89 K C -2.023 174.563 176.600 -0.023 0.000 0.961 89 K CA -2.385 53.910 56.287 0.013 0.000 0.876 89 K CB 1.523 34.048 32.500 0.041 0.000 1.077 89 K HN 0.186 nan 8.250 nan 0.000 0.440 90 P HA -0.137 nan 4.420 nan 0.000 0.218 90 P C 0.392 177.647 177.300 -0.074 0.000 1.148 90 P CA 1.282 64.238 63.100 -0.239 0.000 0.822 90 P CB 0.360 31.598 31.700 -0.771 0.000 0.784 91 E N -0.684 119.562 120.200 0.076 0.000 2.265 91 E HA -0.145 4.205 4.350 -0.001 0.000 0.196 91 E C 1.300 177.932 176.600 0.053 0.000 0.996 91 E CA 1.007 57.483 56.400 0.126 0.000 0.832 91 E CB -1.067 28.713 29.700 0.134 0.000 0.756 91 E HN 0.476 nan 8.360 nan 0.000 0.491 92 N N -0.428 118.280 118.700 0.013 0.000 2.467 92 N HA 0.026 4.766 4.740 -0.001 0.000 0.184 92 N C -0.602 174.881 175.510 -0.046 0.000 1.106 92 N CA -0.100 52.941 53.050 -0.015 0.000 0.892 92 N CB 0.691 39.159 38.487 -0.031 0.000 0.969 92 N HN -0.086 nan 8.380 nan 0.000 0.454 93 V N 1.757 121.642 119.914 -0.048 0.000 2.472 93 V HA 0.340 4.459 4.120 -0.001 0.000 0.290 93 V C -0.589 175.480 176.094 -0.042 0.000 1.037 93 V CA -0.769 61.482 62.300 -0.082 0.000 0.908 93 V CB 1.827 33.603 31.823 -0.079 0.000 0.985 93 V HN 0.029 nan 8.190 nan 0.000 0.454 94 L N 6.170 127.355 121.223 -0.064 0.000 2.377 94 L HA 0.576 4.915 4.340 -0.001 0.000 0.270 94 L C -0.364 176.487 176.870 -0.030 0.000 0.991 94 L CA -0.040 54.799 54.840 -0.002 0.000 0.851 94 L CB 1.690 43.759 42.059 0.017 0.000 1.218 94 L HN 0.445 nan 8.230 nan 0.000 0.420 95 V N 4.051 123.976 119.914 0.018 0.000 2.637 95 V HA 0.536 4.656 4.120 -0.001 0.000 0.296 95 V C 0.721 176.852 176.094 0.063 0.000 1.046 95 V CA 0.323 62.635 62.300 0.019 0.000 1.066 95 V CB 0.965 32.858 31.823 0.116 0.000 0.968 95 V HN 0.936 nan 8.190 nan 0.000 0.483 96 T N 0.933 115.500 114.554 0.022 0.000 2.864 96 T HA 0.378 4.728 4.350 -0.001 0.000 0.289 96 T C -0.219 174.479 174.700 -0.003 0.000 1.082 96 T CA -0.976 61.136 62.100 0.020 0.000 1.009 96 T CB 1.333 70.165 68.868 -0.060 0.000 1.234 96 T HN 0.481 nan 8.240 nan 0.000 0.526 97 N N 1.527 120.202 118.700 -0.041 0.000 2.819 97 N HA 0.391 5.131 4.740 -0.001 0.000 0.284 97 N C 0.836 176.313 175.510 -0.054 0.000 1.196 97 N CA 0.500 53.533 53.050 -0.027 0.000 1.114 97 N CB -0.295 38.176 38.487 -0.027 0.000 1.437 97 N HN 1.120 nan 8.380 nan 0.000 0.518 98 G N 0.906 109.695 108.800 -0.020 0.000 2.855 98 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.352 98 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.352 98 G C 0.934 175.786 174.900 -0.080 0.000 1.415 98 G CA -0.428 44.661 45.100 -0.018 0.000 0.871 98 G HN 0.450 nan 8.290 nan 0.000 0.543 99 G N -0.650 108.112 108.800 -0.063 0.000 2.432 99 G HA2 0.058 4.017 3.960 -0.001 0.000 0.219 99 G HA3 0.058 4.017 3.960 -0.001 0.000 0.219 99 G C 2.144 176.921 174.900 -0.205 0.000 1.135 99 G CA 2.038 47.079 45.100 -0.098 0.000 0.767 99 G HN 1.352 nan 8.290 nan 0.000 0.550 100 S N 0.240 115.826 115.700 -0.189 0.000 2.368 100 S HA -0.216 4.253 4.470 -0.001 0.000 0.226 100 S C 2.105 176.168 174.600 -0.895 0.000 1.044 100 S CA 1.728 59.644 58.200 -0.474 0.000 1.062 100 S CB -0.314 62.854 63.200 -0.054 0.000 0.931 100 S HN 0.682 nan 8.310 nan 0.000 0.440 101 E N 0.799 120.659 120.200 -0.566 0.000 2.107 101 E HA -0.056 4.294 4.350 -0.001 0.000 0.191 101 E C 2.152 178.285 176.600 -0.778 0.000 0.982 101 E CA 0.753 56.724 56.400 -0.716 0.000 0.809 101 E CB -0.237 29.094 29.700 -0.614 0.000 0.756 101 E HN 0.477 nan 8.360 nan 0.000 0.459 102 A N 0.950 123.484 122.820 -0.477 0.000 1.940 102 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 102 A C 2.087 179.494 177.584 -0.294 0.000 1.176 102 A CA 1.235 53.106 52.037 -0.278 0.000 0.631 102 A CB -0.542 18.356 19.000 -0.170 0.000 0.814 102 A HN 0.322 nan 8.150 nan 0.000 0.446 103 I N -1.056 119.234 120.570 -0.468 0.000 2.202 103 I HA -0.194 3.976 4.170 -0.001 0.000 0.242 103 I C 2.391 178.054 176.117 -0.758 0.000 1.091 103 I CA 1.036 61.985 61.300 -0.584 0.000 1.368 103 I CB -0.275 37.340 38.000 -0.642 0.000 1.058 103 I HN 0.391 nan 8.210 nan 0.000 0.410 104 L N 0.597 121.345 121.223 -0.792 0.000 2.012 104 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 104 L C 2.233 179.032 176.870 -0.119 0.000 1.073 104 L CA 2.063 56.621 54.840 -0.469 0.000 0.748 104 L CB -0.779 41.021 42.059 -0.431 0.000 0.891 104 L HN 0.031 nan 8.230 nan 0.000 0.431 105 F N -0.226 119.622 119.950 -0.169 0.000 2.102 105 F HA -0.133 4.393 4.527 -0.000 0.000 0.298 105 F C 2.707 178.476 175.800 -0.050 0.000 1.105 105 F CA 1.236 59.185 58.000 -0.084 0.000 1.239 105 F CB -1.564 37.386 39.000 -0.083 0.000 0.991 105 F HN 0.060 nan 8.300 nan 0.000 0.474 106 S N 0.224 115.999 115.700 0.126 0.000 2.365 106 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 106 S C 1.988 176.714 174.600 0.210 0.000 1.039 106 S CA 1.358 59.619 58.200 0.101 0.000 1.033 106 S CB -0.676 62.574 63.200 0.084 0.000 0.887 106 S HN 0.147 nan 8.310 nan 0.000 0.447 107 F N 1.816 121.759 119.950 -0.012 0.000 2.095 107 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 107 F C 2.684 178.487 175.800 0.004 0.000 1.104 107 F CA 0.388 58.388 58.000 0.000 0.000 1.232 107 F CB -1.436 37.588 39.000 0.040 0.000 0.987 107 F HN 0.202 nan 8.300 nan 0.000 0.475 108 A N -0.394 122.571 122.820 0.241 0.000 1.969 108 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 108 A C 2.418 180.030 177.584 0.047 0.000 1.169 108 A CA 1.719 53.838 52.037 0.138 0.000 0.635 108 A CB -1.119 17.976 19.000 0.158 0.000 0.810 108 A HN 0.194 nan 8.150 nan 0.000 0.445 109 V N 0.632 120.556 119.914 0.018 0.000 2.453 109 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 109 V C 2.386 178.395 176.094 -0.142 0.000 1.048 109 V CA 1.854 64.105 62.300 -0.082 0.000 1.049 109 V CB -0.614 31.152 31.823 -0.095 0.000 0.672 109 V HN 0.782 nan 8.190 nan 0.000 0.457 110 I N -1.714 118.779 120.570 -0.128 0.000 3.035 110 I HA 0.436 4.605 4.170 -0.001 0.000 0.271 110 I C 0.950 177.054 176.117 -0.022 0.000 1.190 110 I CA 0.541 61.766 61.300 -0.126 0.000 1.472 110 I CB 0.002 37.893 38.000 -0.182 0.000 1.116 110 I HN 0.152 nan 8.210 nan 0.000 0.443 111 A N 1.599 124.408 122.820 -0.018 0.000 2.374 111 A HA 0.624 4.944 4.320 -0.001 0.000 0.317 111 A C -0.770 176.813 177.584 -0.003 0.000 1.094 111 A CA -0.781 51.248 52.037 -0.014 0.000 0.765 111 A CB 0.909 19.881 19.000 -0.047 0.000 1.268 111 A HN 0.264 nan 8.150 nan 0.000 0.438 112 N N 0.697 119.395 118.700 -0.004 0.000 2.476 112 N HA 0.469 5.208 4.740 -0.001 0.000 0.275 112 N C -2.823 172.693 175.510 0.010 0.000 1.190 112 N CA -1.431 51.620 53.050 0.003 0.000 0.977 112 N CB 0.486 38.972 38.487 -0.001 0.000 1.200 112 N HN 0.295 nan 8.380 nan 0.000 0.515 113 P HA 0.122 nan 4.420 nan 0.000 0.267 113 P C 0.723 178.031 177.300 0.014 0.000 1.209 113 P CA 0.574 63.688 63.100 0.023 0.000 0.763 113 P CB 0.344 32.061 31.700 0.027 0.000 0.816 114 G N 2.081 110.888 108.800 0.011 0.000 2.232 114 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.226 114 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.226 114 G C 0.116 175.014 174.900 -0.004 0.000 0.996 114 G CA -0.313 44.791 45.100 0.006 0.000 0.626 114 G HN 0.477 nan 8.290 nan 0.000 0.509 115 D N 1.136 121.529 120.400 -0.012 0.000 2.398 115 D HA 0.549 5.189 4.640 -0.001 0.000 0.247 115 D C 0.659 176.932 176.300 -0.046 0.000 1.227 115 D CA 0.207 54.193 54.000 -0.024 0.000 0.980 115 D CB 0.553 41.339 40.800 -0.024 0.000 1.106 115 D HN 0.544 nan 8.370 nan 0.000 0.493 116 E N -0.228 119.938 120.200 -0.057 0.000 2.227 116 E HA 0.603 4.953 4.350 -0.001 0.000 0.268 116 E C -0.550 175.972 176.600 -0.129 0.000 0.907 116 E CA -0.628 55.722 56.400 -0.084 0.000 0.786 116 E CB 2.216 31.885 29.700 -0.053 0.000 1.191 116 E HN 0.233 nan 8.360 nan 0.000 0.411 117 I N 3.120 123.574 120.570 -0.192 0.000 2.478 117 I HA 0.244 4.413 4.170 -0.001 0.000 0.287 117 I C -0.570 175.406 176.117 -0.234 0.000 1.042 117 I CA -0.694 60.453 61.300 -0.255 0.000 1.067 117 I CB 1.277 38.992 38.000 -0.475 0.000 1.233 117 I HN 0.311 nan 8.210 nan 0.000 0.431 118 L N 6.294 127.404 121.223 -0.189 0.000 2.426 118 L HA 0.452 4.792 4.340 -0.001 0.000 0.271 118 L C -0.212 176.521 176.870 -0.229 0.000 1.169 118 L CA -0.283 54.443 54.840 -0.190 0.000 0.836 118 L CB 1.310 43.286 42.059 -0.139 0.000 1.112 118 L HN 0.349 nan 8.230 nan 0.000 0.465 119 V N 4.849 124.599 119.914 -0.272 0.000 2.760 119 V HA 0.400 4.519 4.120 -0.001 0.000 0.309 119 V C -0.460 175.506 176.094 -0.214 0.000 1.077 119 V CA -0.584 61.530 62.300 -0.310 0.000 0.910 119 V CB 2.253 33.704 31.823 -0.620 0.000 1.008 119 V HN 0.517 nan 8.190 nan 0.000 0.424 120 L N 5.631 126.810 121.223 -0.073 0.000 2.283 120 L HA 0.508 4.848 4.340 -0.001 0.000 0.287 120 L C 0.424 177.379 176.870 0.141 0.000 1.073 120 L CA 0.100 54.963 54.840 0.039 0.000 0.822 120 L CB 0.827 42.949 42.059 0.105 0.000 1.186 120 L HN 0.684 nan 8.230 nan 0.000 0.436 121 E N 6.310 126.601 120.200 0.151 0.000 2.283 121 E HA 0.320 4.670 4.350 -0.001 0.000 0.278 121 E C -2.294 174.361 176.600 0.093 0.000 1.027 121 E CA -1.958 54.576 56.400 0.224 0.000 0.843 121 E CB 1.373 31.223 29.700 0.249 0.000 1.062 121 E HN 0.246 nan 8.360 nan 0.000 0.401 122 P HA 0.130 nan 4.420 nan 0.000 0.274 122 P C -1.028 176.258 177.300 -0.025 0.000 1.231 122 P CA -0.005 62.813 63.100 -0.470 0.000 0.790 122 P CB 0.331 31.471 31.700 -0.933 0.000 0.951 123 F N -0.507 119.414 119.950 -0.048 0.000 2.664 123 F HA 0.484 5.011 4.527 -0.000 0.000 0.317 123 F C -0.857 175.051 175.800 0.181 0.000 1.108 123 F CA -1.993 56.073 58.000 0.111 0.000 0.957 123 F CB 0.329 39.457 39.000 0.214 0.000 1.365 123 F HN 0.140 nan 8.300 nan 0.000 0.475 124 Y N 2.899 123.242 120.300 0.073 0.000 2.828 124 Y HA 0.350 4.900 4.550 -0.001 0.000 0.359 124 Y C 1.309 176.960 175.900 -0.415 0.000 1.258 124 Y CA -0.304 57.649 58.100 -0.244 0.000 1.652 124 Y CB 0.351 38.526 38.460 -0.476 0.000 1.232 124 Y HN 0.880 nan 8.280 nan 0.000 0.513 125 A N 4.584 126.906 122.820 -0.830 0.000 1.971 125 A HA -0.347 3.972 4.320 -0.001 0.000 0.222 125 A C 2.106 179.284 177.584 -0.676 0.000 1.182 125 A CA 2.220 53.741 52.037 -0.861 0.000 0.649 125 A CB -0.487 17.934 19.000 -0.965 0.000 0.818 125 A HN 0.838 nan 8.150 nan 0.000 0.458 126 N N -1.085 116.972 118.700 -1.073 0.000 2.430 126 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 126 N C 1.173 176.286 175.510 -0.662 0.000 1.032 126 N CA 1.345 53.831 53.050 -0.940 0.000 0.893 126 N CB -0.596 37.259 38.487 -1.053 0.000 0.957 126 N HN 0.664 nan 8.380 nan 0.000 0.442 127 Y N 0.804 121.028 120.300 -0.127 0.000 2.274 127 Y HA -0.092 4.458 4.550 -0.000 0.000 0.290 127 Y C 2.233 178.254 175.900 0.201 0.000 1.145 127 Y CA 0.553 58.811 58.100 0.262 0.000 1.203 127 Y CB -0.883 37.867 38.460 0.484 0.000 0.984 127 Y HN 0.110 nan 8.280 nan 0.000 0.533 128 N N 0.220 119.088 118.700 0.280 0.000 2.223 128 N HA -0.132 4.607 4.740 -0.001 0.000 0.185 128 N C 1.856 177.379 175.510 0.021 0.000 1.016 128 N CA 1.146 54.312 53.050 0.194 0.000 0.863 128 N CB -0.310 38.279 38.487 0.170 0.000 0.983 128 N HN 0.312 nan 8.380 nan 0.000 0.429 129 A N -0.451 122.238 122.820 -0.218 0.000 1.898 129 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 129 A C 1.791 179.248 177.584 -0.212 0.000 1.181 129 A CA 1.021 52.870 52.037 -0.313 0.000 0.620 129 A CB -0.873 17.792 19.000 -0.558 0.000 0.819 129 A HN 0.290 nan 8.150 nan 0.000 0.442 130 F N 0.344 120.326 119.950 0.053 0.000 2.186 130 F HA 0.038 4.565 4.527 -0.001 0.000 0.299 130 F C 2.742 178.650 175.800 0.179 0.000 1.090 130 F CA 0.398 58.405 58.000 0.011 0.000 1.307 130 F CB -0.987 37.889 39.000 -0.208 0.000 1.019 130 F HN 0.243 nan 8.300 nan 0.000 0.489 131 A N 0.496 123.611 122.820 0.492 0.000 1.877 131 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 131 A C 2.263 179.988 177.584 0.234 0.000 1.186 131 A CA 1.704 54.022 52.037 0.468 0.000 0.620 131 A CB -0.687 18.516 19.000 0.339 0.000 0.822 131 A HN 0.329 nan 8.150 nan 0.000 0.443 132 K N -0.502 119.988 120.400 0.151 0.000 2.097 132 K HA -0.033 4.287 4.320 -0.001 0.000 0.206 132 K C 1.768 178.427 176.600 0.098 0.000 1.049 132 K CA 1.438 57.780 56.287 0.093 0.000 0.933 132 K CB -0.341 32.188 32.500 0.048 0.000 0.717 132 K HN 0.537 nan 8.250 nan 0.000 0.442 133 I N 0.755 121.394 120.570 0.116 0.000 2.252 133 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 133 I C 2.206 178.400 176.117 0.128 0.000 1.102 133 I CA 1.013 62.381 61.300 0.114 0.000 1.385 133 I CB -0.206 37.871 38.000 0.128 0.000 1.064 133 I HN 0.129 nan 8.210 nan 0.000 0.414 134 A N 0.144 123.067 122.820 0.171 0.000 2.208 134 A HA 0.252 4.571 4.320 -0.001 0.000 0.209 134 A C 1.845 179.501 177.584 0.120 0.000 1.161 134 A CA 0.791 52.926 52.037 0.164 0.000 0.782 134 A CB -0.599 18.544 19.000 0.238 0.000 0.816 134 A HN 0.572 nan 8.150 nan 0.000 0.477 135 G N -1.351 107.512 108.800 0.105 0.000 2.143 135 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.248 135 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.248 135 G C 0.122 175.055 174.900 0.055 0.000 0.991 135 G CA 0.282 45.424 45.100 0.071 0.000 0.689 135 G HN 0.786 nan 8.290 nan 0.000 0.522 136 V N 0.103 120.057 119.914 0.066 0.000 2.539 136 V HA 0.591 4.710 4.120 -0.001 0.000 0.292 136 V C 0.615 176.706 176.094 -0.006 0.000 1.045 136 V CA -0.784 61.522 62.300 0.010 0.000 0.945 136 V CB 1.781 33.584 31.823 -0.032 0.000 0.993 136 V HN 0.348 nan 8.190 nan 0.000 0.464 137 K N 3.526 123.905 120.400 -0.034 0.000 2.234 137 K HA 0.483 4.803 4.320 -0.001 0.000 0.282 137 K C -1.082 175.471 176.600 -0.078 0.000 1.039 137 K CA -0.226 56.043 56.287 -0.030 0.000 0.928 137 K CB 0.963 33.452 32.500 -0.019 0.000 1.039 137 K HN 0.470 nan 8.250 nan 0.000 0.470 138 L N 6.134 127.320 121.223 -0.063 0.000 2.272 138 L HA 0.445 4.785 4.340 -0.001 0.000 0.289 138 L C -1.085 175.720 176.870 -0.109 0.000 1.032 138 L CA -0.387 54.379 54.840 -0.124 0.000 0.810 138 L CB 0.922 42.932 42.059 -0.081 0.000 1.205 138 L HN 0.597 nan 8.230 nan 0.000 0.422 139 I N 7.400 127.880 120.570 -0.149 0.000 2.312 139 I HA 0.368 4.538 4.170 -0.001 0.000 0.290 139 I C -2.175 173.818 176.117 -0.207 0.000 1.008 139 I CA -2.311 58.912 61.300 -0.128 0.000 1.226 139 I CB 1.221 39.164 38.000 -0.096 0.000 1.371 139 I HN 0.407 nan 8.210 nan 0.000 0.468 140 P HA 0.233 nan 4.420 nan 0.000 0.279 140 P C -0.634 176.433 177.300 -0.388 0.000 1.239 140 P CA -0.319 62.669 63.100 -0.185 0.000 0.789 140 P CB 1.746 33.448 31.700 0.004 0.000 0.933 141 V N 3.321 123.025 119.914 -0.349 0.000 2.340 141 V HA 0.154 4.274 4.120 -0.001 0.000 0.277 141 V C 0.443 176.468 176.094 -0.115 0.000 1.017 141 V CA -0.381 61.633 62.300 -0.476 0.000 0.820 141 V CB 0.887 32.465 31.823 -0.407 0.000 1.028 141 V HN 0.521 nan 8.190 nan 0.000 0.436 142 T N 5.783 120.321 114.554 -0.026 0.000 2.928 142 T HA 0.307 4.657 4.350 -0.001 0.000 0.305 142 T C 0.239 175.044 174.700 0.176 0.000 1.035 142 T CA 0.236 62.421 62.100 0.143 0.000 1.145 142 T CB 0.314 69.287 68.868 0.174 0.000 0.963 142 T HN 0.559 nan 8.240 nan 0.000 0.545 143 R N 1.905 122.561 120.500 0.260 0.000 2.740 143 R HA 0.618 4.958 4.340 -0.001 0.000 0.282 143 R C -0.140 176.296 176.300 0.227 0.000 0.969 143 R CA -1.171 55.093 56.100 0.274 0.000 0.918 143 R CB 1.514 32.064 30.300 0.416 0.000 1.175 143 R HN 0.392 nan 8.270 nan 0.000 0.464 147 E N 0.645 120.745 120.200 -0.168 0.000 2.476 147 E HA 0.178 4.527 4.350 -0.001 0.000 0.196 147 E C 0.761 177.317 176.600 -0.073 0.000 1.029 147 E CA 0.376 56.721 56.400 -0.092 0.000 0.896 147 E CB 1.002 30.670 29.700 -0.054 0.000 1.012 147 E HN 0.324 nan 8.360 nan 0.000 0.475 148 G N 1.393 110.116 108.800 -0.130 0.000 2.176 148 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.252 148 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.252 148 G C 0.245 175.205 174.900 0.100 0.000 1.024 148 G CA 0.039 45.120 45.100 -0.032 0.000 0.755 148 G HN 0.362 nan 8.290 nan 0.000 0.507 149 F N -2.590 117.388 119.950 0.046 0.000 3.067 149 F HA -0.157 4.370 4.527 -0.001 0.000 0.279 149 F C 1.552 177.437 175.800 0.142 0.000 0.945 149 F CA 0.886 58.933 58.000 0.079 0.000 0.948 149 F CB -1.854 37.174 39.000 0.047 0.000 0.898 149 F HN 1.154 nan 8.300 nan 0.000 0.746 150 A N 0.120 123.085 122.820 0.242 0.000 2.313 150 A HA 0.639 4.959 4.320 -0.001 0.000 0.261 150 A C 0.549 178.292 177.584 0.264 0.000 1.090 150 A CA -0.536 51.665 52.037 0.274 0.000 0.807 150 A CB 0.468 19.558 19.000 0.150 0.000 1.055 150 A HN 0.321 nan 8.150 nan 0.000 0.492 151 I N 2.506 123.207 120.570 0.220 0.000 2.505 151 I HA 0.151 4.321 4.170 -0.001 0.000 0.287 151 I C -1.578 174.608 176.117 0.115 0.000 1.104 151 I CA -1.205 60.166 61.300 0.118 0.000 1.387 151 I CB 0.479 38.491 38.000 0.019 0.000 1.404 151 I HN 0.498 nan 8.210 nan 0.000 0.528 152 P HA 0.094 nan 4.420 nan 0.000 0.272 152 P C 0.302 177.683 177.300 0.134 0.000 1.223 152 P CA -0.173 63.003 63.100 0.128 0.000 0.784 152 P CB 0.756 32.551 31.700 0.159 0.000 0.923 153 Q N 2.145 122.005 119.800 0.101 0.000 2.291 153 Q HA -0.149 4.191 4.340 -0.001 0.000 0.205 153 Q C 1.266 177.336 176.000 0.117 0.000 0.970 153 Q CA 1.724 57.584 55.803 0.094 0.000 0.876 153 Q CB -1.186 27.581 28.738 0.049 0.000 0.935 153 Q HN 0.723 nan 8.270 nan 0.000 0.455 154 N N -0.097 118.682 118.700 0.131 0.000 2.322 154 N HA 0.086 4.826 4.740 -0.001 0.000 0.216 154 N C 1.075 176.699 175.510 0.189 0.000 1.144 154 N CA 0.271 53.380 53.050 0.098 0.000 0.830 154 N CB 0.118 38.627 38.487 0.037 0.000 1.034 154 N HN 0.358 nan 8.380 nan 0.000 0.484 155 L N 0.840 122.205 121.223 0.237 0.000 2.042 155 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 155 L C 1.865 178.849 176.870 0.191 0.000 1.076 155 L CA 1.869 56.873 54.840 0.274 0.000 0.749 155 L CB -0.492 41.673 42.059 0.176 0.000 0.893 155 L HN 0.196 nan 8.230 nan 0.000 0.432 156 E N -1.337 118.906 120.200 0.071 0.000 2.204 156 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 156 E C 2.226 178.771 176.600 -0.093 0.000 0.990 156 E CA 1.052 57.426 56.400 -0.043 0.000 0.821 156 E CB -0.163 29.548 29.700 0.018 0.000 0.750 156 E HN 0.544 nan 8.360 nan 0.000 0.477 157 S N -0.093 115.532 115.700 -0.124 0.000 2.419 157 S HA -0.121 4.349 4.470 -0.001 0.000 0.233 157 S C 1.387 175.781 174.600 -0.343 0.000 1.016 157 S CA 0.811 58.846 58.200 -0.275 0.000 0.974 157 S CB -0.163 62.777 63.200 -0.433 0.000 0.786 157 S HN 0.203 nan 8.310 nan 0.000 0.492 158 F N 1.275 121.190 119.950 -0.059 0.000 2.780 158 F HA 0.399 4.925 4.527 -0.001 0.000 0.299 158 F C 0.789 176.534 175.800 -0.091 0.000 1.146 158 F CA -0.129 57.836 58.000 -0.060 0.000 1.428 158 F CB -0.253 38.719 39.000 -0.047 0.000 1.115 158 F HN 0.105 nan 8.300 nan 0.000 0.583 159 I N 2.103 122.666 120.570 -0.012 0.000 2.529 159 I HA 0.093 4.263 4.170 -0.001 0.000 0.284 159 I C -0.001 176.071 176.117 -0.075 0.000 1.082 159 I CA -0.248 60.991 61.300 -0.102 0.000 1.406 159 I CB 0.488 38.294 38.000 -0.323 0.000 1.405 159 I HN 0.171 nan 8.210 nan 0.000 0.548 160 N N 3.627 122.299 118.700 -0.047 0.000 3.316 160 N HA 0.096 4.836 4.740 -0.001 0.000 0.300 160 N C 0.204 175.705 175.510 -0.014 0.000 1.567 160 N CA -0.854 52.182 53.050 -0.024 0.000 0.821 160 N CB 0.474 38.955 38.487 -0.011 0.000 1.748 160 N HN 0.549 nan 8.380 nan 0.000 0.603 161 E N -0.301 119.896 120.200 -0.005 0.000 2.160 161 E HA -0.117 4.233 4.350 -0.001 0.000 0.195 161 E C 0.736 177.335 176.600 -0.002 0.000 0.991 161 E CA 1.084 57.484 56.400 -0.000 0.000 0.810 161 E CB 0.089 29.789 29.700 0.001 0.000 0.742 161 E HN 0.452 nan 8.360 nan 0.000 0.466 162 R N 0.057 120.553 120.500 -0.006 0.000 2.297 162 R HA 0.082 4.422 4.340 -0.001 0.000 0.197 162 R C 0.276 176.566 176.300 -0.017 0.000 0.943 162 R CA 0.276 56.371 56.100 -0.009 0.000 1.038 162 R CB 0.262 30.557 30.300 -0.007 0.000 0.957 162 R HN -0.010 nan 8.270 nan 0.000 0.484 163 T N 1.924 116.465 114.554 -0.021 0.000 2.834 163 T HA 0.105 4.455 4.350 -0.001 0.000 0.298 163 T C 0.989 175.676 174.700 -0.022 0.000 0.966 163 T CA 0.160 62.239 62.100 -0.035 0.000 1.141 163 T CB 1.107 69.948 68.868 -0.046 0.000 0.905 163 T HN -0.055 nan 8.240 nan 0.000 0.535 164 K N 1.478 121.864 120.400 -0.024 0.000 2.412 164 K HA 0.327 4.647 4.320 -0.001 0.000 0.202 164 K C 0.890 177.523 176.600 0.056 0.000 1.102 164 K CA -0.009 56.293 56.287 0.024 0.000 1.027 164 K CB 1.499 34.016 32.500 0.028 0.000 0.931 164 K HN 0.791 nan 8.250 nan 0.000 0.557 165 G N 0.493 109.286 108.800 -0.012 0.000 2.495 165 G HA2 0.540 4.500 3.960 -0.001 0.000 0.294 165 G HA3 0.540 4.500 3.960 -0.001 0.000 0.294 165 G C -1.704 173.155 174.900 -0.069 0.000 1.397 165 G CA -0.774 44.327 45.100 0.002 0.000 0.790 165 G HN -0.041 nan 8.290 nan 0.000 0.486 166 I N -0.106 120.432 120.570 -0.053 0.000 2.582 166 I HA 0.643 4.813 4.170 -0.001 0.000 0.292 166 I C -0.861 175.213 176.117 -0.072 0.000 1.066 166 I CA -1.241 60.009 61.300 -0.083 0.000 1.053 166 I CB 2.256 40.217 38.000 -0.066 0.000 1.241 166 I HN 0.421 nan 8.210 nan 0.000 0.421 167 V N 7.513 127.360 119.914 -0.112 0.000 2.709 167 V HA 0.773 4.892 4.120 -0.001 0.000 0.308 167 V C -1.142 174.902 176.094 -0.084 0.000 1.062 167 V CA -0.352 61.883 62.300 -0.109 0.000 0.901 167 V CB 2.195 33.922 31.823 -0.160 0.000 1.003 167 V HN 0.679 nan 8.190 nan 0.000 0.425 168 L N 3.427 124.649 121.223 -0.003 0.000 2.892 168 L HA 0.917 5.257 4.340 -0.001 0.000 0.269 168 L C -0.910 176.099 176.870 0.231 0.000 1.058 168 L CA -0.678 54.249 54.840 0.144 0.000 0.923 168 L CB 1.996 44.145 42.059 0.150 0.000 1.518 168 L HN 0.643 nan 8.230 nan 0.000 0.402 169 S N 0.378 116.271 115.700 0.321 0.000 2.503 169 S HA 0.750 5.220 4.470 -0.001 0.000 0.301 169 S C -0.841 173.924 174.600 0.276 0.000 1.087 169 S CA -0.586 57.798 58.200 0.308 0.000 1.042 169 S CB 1.477 64.874 63.200 0.329 0.000 1.043 169 S HN 0.758 nan 8.310 nan 0.000 0.489 170 N N 1.844 120.713 118.700 0.281 0.000 2.571 170 N HA 0.473 5.212 4.740 -0.001 0.000 0.286 170 N C -3.316 172.387 175.510 0.321 0.000 1.138 170 N CA -1.386 51.857 53.050 0.321 0.000 0.859 170 N CB 1.771 40.508 38.487 0.416 0.000 1.414 170 N HN 0.279 nan 8.380 nan 0.000 0.529 171 P HA 0.035 nan 4.420 nan 0.000 0.267 171 P C -0.061 177.239 177.300 0.000 0.000 1.200 171 P CA -0.346 62.749 63.100 -0.009 0.000 0.772 171 P CB 0.536 32.123 31.700 -0.188 0.000 0.855 172 C N 3.706 122.967 119.300 -0.065 0.000 2.536 172 C HA 0.423 4.883 4.460 -0.001 0.000 0.396 172 C C 0.185 175.047 174.990 -0.212 0.000 1.279 172 C CA -0.104 58.876 59.018 -0.063 0.000 2.148 172 C CB -1.010 26.693 27.740 -0.063 0.000 2.584 172 C HN 0.515 nan 8.230 nan 0.000 0.579 173 N N 4.835 123.421 118.700 -0.190 0.000 2.407 173 N HA 0.510 5.249 4.740 -0.001 0.000 0.277 173 N C -1.968 173.378 175.510 -0.273 0.000 0.995 173 N CA -2.168 50.646 53.050 -0.394 0.000 0.903 173 N CB 2.107 40.384 38.487 -0.349 0.000 1.218 173 N HN 0.524 nan 8.380 nan 0.000 0.487 174 P HA 0.110 nan 4.420 nan 0.000 0.267 174 P C 0.783 177.796 177.300 -0.478 0.000 1.289 174 P CA 0.317 63.007 63.100 -0.683 0.000 0.866 174 P CB 0.244 31.346 31.700 -0.997 0.000 1.309 175 T N -3.947 110.317 114.554 -0.482 0.000 2.904 175 T HA 0.115 4.464 4.350 -0.001 0.000 0.267 175 T C 1.696 176.252 174.700 -0.241 0.000 1.059 175 T CA 1.301 63.099 62.100 -0.502 0.000 1.137 175 T CB -1.355 67.050 68.868 -0.772 0.000 0.879 175 T HN 0.191 nan 8.240 nan 0.000 0.467 176 G N 1.087 109.761 108.800 -0.210 0.000 2.143 176 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.248 176 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.248 176 G C 0.197 175.022 174.900 -0.125 0.000 0.991 176 G CA 0.256 45.271 45.100 -0.141 0.000 0.689 176 G HN 1.531 nan 8.290 nan 0.000 0.522 177 V N -2.085 117.725 119.914 -0.172 0.000 2.881 177 V HA 0.783 4.902 4.120 -0.001 0.000 0.303 177 V C 0.566 176.499 176.094 -0.268 0.000 1.070 177 V CA -0.708 61.458 62.300 -0.224 0.000 1.074 177 V CB 2.004 33.620 31.823 -0.346 0.000 1.012 177 V HN 0.649 nan 8.190 nan 0.000 0.482 178 V N 4.544 124.310 119.914 -0.248 0.000 2.409 178 V HA 0.374 4.494 4.120 -0.001 0.000 0.290 178 V C -0.972 175.053 176.094 -0.114 0.000 1.017 178 V CA -0.433 61.806 62.300 -0.101 0.000 0.841 178 V CB 1.017 32.857 31.823 0.028 0.000 1.003 178 V HN 0.836 nan 8.190 nan 0.000 0.426 179 Y N 2.951 123.327 120.300 0.125 0.000 2.359 179 Y HA 0.552 5.102 4.550 -0.000 0.000 0.334 179 Y C 1.232 177.160 175.900 0.047 0.000 1.058 179 Y CA 0.299 58.450 58.100 0.085 0.000 1.244 179 Y CB 0.922 39.434 38.460 0.087 0.000 1.187 179 Y HN 0.707 nan 8.280 nan 0.000 0.510 180 G N 2.382 111.289 108.800 0.179 0.000 2.588 180 G HA2 0.065 4.025 3.960 -0.001 0.000 0.278 180 G HA3 0.065 4.025 3.960 -0.001 0.000 0.278 180 G C 0.884 175.810 174.900 0.045 0.000 1.307 180 G CA -0.561 44.586 45.100 0.077 0.000 1.016 180 G HN 0.746 nan 8.290 nan 0.000 0.503 181 K N -0.893 119.507 120.400 -0.001 0.000 2.032 181 K HA -0.149 4.171 4.320 -0.001 0.000 0.209 181 K C 1.928 178.541 176.600 0.022 0.000 1.048 181 K CA 2.010 58.289 56.287 -0.012 0.000 0.927 181 K CB -0.123 32.363 32.500 -0.023 0.000 0.712 181 K HN 0.450 nan 8.250 nan 0.000 0.441 182 D N 0.754 121.176 120.400 0.036 0.000 2.104 182 D HA -0.107 4.532 4.640 -0.001 0.000 0.194 182 D C 0.496 176.841 176.300 0.075 0.000 0.994 182 D CA 1.022 55.050 54.000 0.047 0.000 0.830 182 D CB -0.178 40.643 40.800 0.034 0.000 0.959 182 D HN 0.372 nan 8.370 nan 0.000 0.452 186 Y N 1.906 122.193 120.300 -0.023 0.000 2.151 186 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 186 Y C 1.787 177.670 175.900 -0.028 0.000 1.166 186 Y CA 2.222 60.309 58.100 -0.022 0.000 1.163 186 Y CB -0.155 38.292 38.460 -0.021 0.000 0.974 186 Y HN 0.250 nan 8.280 nan 0.000 0.511 187 L N -0.630 120.529 121.223 -0.107 0.000 2.141 187 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 187 L C 2.262 179.029 176.870 -0.173 0.000 1.094 187 L CA 1.349 56.064 54.840 -0.208 0.000 0.763 187 L CB -0.749 41.254 42.059 -0.093 0.000 0.908 187 L HN 0.195 nan 8.230 nan 0.000 0.437 188 V N -0.619 119.233 119.914 -0.104 0.000 2.358 188 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 188 V C 2.389 178.419 176.094 -0.107 0.000 1.047 188 V CA 1.714 63.965 62.300 -0.081 0.000 1.035 188 V CB -0.539 31.258 31.823 -0.044 0.000 0.658 188 V HN 0.469 nan 8.190 nan 0.000 0.452 189 E N 0.029 120.155 120.200 -0.124 0.000 2.118 189 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 189 E C 2.170 178.676 176.600 -0.156 0.000 0.992 189 E CA 1.491 57.817 56.400 -0.125 0.000 0.804 189 E CB -0.184 29.457 29.700 -0.098 0.000 0.741 189 E HN 0.555 nan 8.360 nan 0.000 0.458 190 I N 0.934 121.367 120.570 -0.229 0.000 2.252 190 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 190 I C 2.554 178.653 176.117 -0.031 0.000 1.102 190 I CA 0.771 61.987 61.300 -0.140 0.000 1.385 190 I CB -0.332 37.518 38.000 -0.249 0.000 1.064 190 I HN 0.094 nan 8.210 nan 0.000 0.414 191 A N 0.749 123.516 122.820 -0.087 0.000 1.865 191 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 191 A C 2.208 179.733 177.584 -0.098 0.000 1.191 191 A CA 1.890 53.881 52.037 -0.077 0.000 0.623 191 A CB -0.663 18.283 19.000 -0.090 0.000 0.826 191 A HN 0.444 nan 8.150 nan 0.000 0.444 192 E N -1.020 119.110 120.200 -0.116 0.000 2.077 192 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 192 E C 2.326 178.844 176.600 -0.137 0.000 0.989 192 E CA 1.096 57.417 56.400 -0.130 0.000 0.800 192 E CB -0.199 29.434 29.700 -0.110 0.000 0.746 192 E HN 0.591 nan 8.360 nan 0.000 0.452 193 R N 0.359 120.764 120.500 -0.158 0.000 2.096 193 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 193 R C 1.432 177.515 176.300 -0.361 0.000 1.127 193 R CA 1.276 57.217 56.100 -0.264 0.000 0.968 193 R CB 0.038 30.138 30.300 -0.333 0.000 0.861 193 R HN 0.307 nan 8.270 nan 0.000 0.440 194 H N -1.491 117.521 119.070 -0.097 0.000 2.549 194 H HA 0.166 4.722 4.556 -0.001 0.000 0.279 194 H C 0.612 175.879 175.328 -0.101 0.000 1.018 194 H CA 0.611 56.608 56.048 -0.085 0.000 1.175 194 H CB 1.008 30.725 29.762 -0.075 0.000 1.485 194 H HN 0.501 nan 8.280 nan 0.000 0.543 195 G N 1.754 110.517 108.800 -0.062 0.000 2.273 195 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.280 195 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.280 195 G C -0.033 174.756 174.900 -0.186 0.000 1.047 195 G CA 0.202 45.219 45.100 -0.138 0.000 0.869 195 G HN 0.274 nan 8.290 nan 0.000 0.502 196 L N -1.297 119.821 121.223 -0.174 0.000 2.330 196 L HA 0.762 5.102 4.340 -0.001 0.000 0.271 196 L C 0.317 177.041 176.870 -0.243 0.000 1.013 196 L CA -1.315 53.439 54.840 -0.142 0.000 0.816 196 L CB 1.272 43.302 42.059 -0.047 0.000 1.287 196 L HN 0.011 nan 8.230 nan 0.000 0.435 197 F N 1.839 121.774 119.950 -0.024 0.000 2.394 197 F HA 0.366 4.893 4.527 -0.001 0.000 0.340 197 F C 0.029 175.813 175.800 -0.028 0.000 1.105 197 F CA -0.436 57.554 58.000 -0.018 0.000 1.124 197 F CB 1.399 40.396 39.000 -0.005 0.000 1.145 197 F HN 0.168 nan 8.300 nan 0.000 0.505 198 L N 5.405 126.719 121.223 0.151 0.000 2.262 198 L HA 0.502 4.842 4.340 -0.001 0.000 0.288 198 L C -0.749 176.175 176.870 0.091 0.000 1.035 198 L CA -0.178 54.706 54.840 0.073 0.000 0.820 198 L CB 0.188 42.261 42.059 0.024 0.000 1.204 198 L HN 0.425 nan 8.230 nan 0.000 0.424 199 I N 6.208 126.821 120.570 0.072 0.000 2.291 199 I HA 0.283 4.453 4.170 -0.001 0.000 0.290 199 I C -0.620 175.529 176.117 0.054 0.000 1.050 199 I CA -0.592 60.748 61.300 0.067 0.000 1.245 199 I CB 1.160 39.210 38.000 0.083 0.000 1.405 199 I HN 0.243 nan 8.210 nan 0.000 0.478 200 V N 5.248 125.207 119.914 0.075 0.000 2.357 200 V HA 0.181 4.301 4.120 -0.001 0.000 0.284 200 V C -0.022 176.154 176.094 0.136 0.000 1.018 200 V CA -0.612 61.755 62.300 0.111 0.000 0.841 200 V CB 1.613 33.509 31.823 0.122 0.000 0.991 200 V HN 0.595 nan 8.190 nan 0.000 0.437 201 D N 4.360 124.859 120.400 0.165 0.000 2.393 201 D HA 0.150 4.789 4.640 -0.001 0.000 0.232 201 D C 0.521 176.938 176.300 0.195 0.000 1.192 201 D CA -0.096 54.013 54.000 0.181 0.000 0.882 201 D CB 0.861 41.828 40.800 0.278 0.000 1.038 201 D HN 0.661 nan 8.370 nan 0.000 0.499 202 E N 2.719 123.031 120.200 0.187 0.000 2.511 202 E HA 0.037 4.386 4.350 -0.001 0.000 0.214 202 E C 1.771 178.419 176.600 0.080 0.000 1.062 202 E CA -0.123 56.404 56.400 0.212 0.000 1.213 202 E CB 0.654 30.574 29.700 0.367 0.000 1.214 202 E HN 0.420 nan 8.360 nan 0.000 0.441 203 V N -2.056 117.836 119.914 -0.037 0.000 2.594 203 V HA -0.248 3.871 4.120 -0.001 0.000 0.253 203 V C 1.345 177.197 176.094 -0.403 0.000 1.069 203 V CA 1.334 63.493 62.300 -0.235 0.000 1.082 203 V CB -0.791 30.795 31.823 -0.394 0.000 0.680 203 V HN 0.326 nan 8.190 nan 0.000 0.469 204 Y N 2.216 122.411 120.300 -0.175 0.000 2.461 204 Y HA 0.372 4.922 4.550 -0.001 0.000 0.277 204 Y C 1.746 177.414 175.900 -0.386 0.000 1.182 204 Y CA -0.028 57.893 58.100 -0.299 0.000 1.276 204 Y CB -0.554 37.686 38.460 -0.367 0.000 1.087 204 Y HN 0.401 nan 8.280 nan 0.000 0.519 205 S N 0.251 115.774 115.700 -0.295 0.000 2.568 205 S HA 0.072 4.541 4.470 -0.001 0.000 0.282 205 S C 0.607 174.998 174.600 -0.347 0.000 1.338 205 S CA 0.034 57.871 58.200 -0.606 0.000 1.045 205 S CB 1.077 64.013 63.200 -0.439 0.000 0.873 205 S HN 0.488 nan 8.310 nan 0.000 0.516 206 E N -0.280 119.698 120.200 -0.370 0.000 4.374 206 E HA -0.184 4.166 4.350 -0.001 0.000 0.251 206 E C -0.038 176.449 176.600 -0.190 0.000 0.709 206 E CA 1.400 57.698 56.400 -0.170 0.000 2.266 206 E CB -1.475 28.229 29.700 0.007 0.000 1.709 206 E HN 0.837 nan 8.360 nan 0.000 0.570 207 I N 2.654 123.051 120.570 -0.288 0.000 2.261 207 I HA 0.194 4.363 4.170 -0.001 0.000 0.285 207 I C -0.102 175.574 176.117 -0.735 0.000 1.113 207 I CA -0.233 60.832 61.300 -0.392 0.000 1.377 207 I CB 0.471 38.289 38.000 -0.303 0.000 1.530 207 I HN -0.205 nan 8.210 nan 0.000 0.607 208 V N 3.476 122.975 119.914 -0.692 0.000 2.588 208 V HA 0.360 4.480 4.120 -0.001 0.000 0.304 208 V C -0.027 175.736 176.094 -0.552 0.000 1.042 208 V CA -0.282 61.634 62.300 -0.641 0.000 0.877 208 V CB 1.982 33.610 31.823 -0.325 0.000 0.996 208 V HN 0.362 nan 8.190 nan 0.000 0.425 209 F N 1.860 121.803 119.950 -0.012 0.000 2.532 209 F HA 0.435 4.962 4.527 -0.001 0.000 0.278 209 F C 1.208 177.016 175.800 0.014 0.000 0.975 209 F CA -0.208 57.794 58.000 0.003 0.000 1.292 209 F CB 0.013 39.014 39.000 0.002 0.000 1.112 209 F HN 0.251 nan 8.300 nan 0.000 0.703 210 R N 0.206 120.819 120.500 0.188 0.000 2.668 210 R HA 0.556 4.896 4.340 -0.001 0.000 0.279 210 R C 0.217 176.565 176.300 0.080 0.000 0.976 210 R CA -0.119 56.052 56.100 0.118 0.000 0.978 210 R CB 1.203 31.567 30.300 0.107 0.000 1.133 210 R HN 0.327 nan 8.270 nan 0.000 0.484 211 G N 1.498 110.340 108.800 0.070 0.000 2.877 211 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.279 211 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.279 211 G C -0.925 174.019 174.900 0.074 0.000 1.431 211 G CA -0.409 44.730 45.100 0.065 0.000 0.883 211 G HN 0.555 nan 8.290 nan 0.000 0.547 212 E N -0.760 119.483 120.200 0.071 0.000 2.109 212 E HA 0.610 4.959 4.350 -0.001 0.000 0.278 212 E C -0.290 176.373 176.600 0.106 0.000 0.954 212 E CA -0.888 55.558 56.400 0.078 0.000 0.779 212 E CB 0.482 30.208 29.700 0.045 0.000 1.093 212 E HN 0.680 nan 8.360 nan 0.000 0.401 213 F N 3.842 123.785 119.950 -0.011 0.000 2.443 213 F HA 0.523 5.050 4.527 -0.001 0.000 0.353 213 F C -0.435 175.369 175.800 0.006 0.000 1.101 213 F CA -0.304 57.693 58.000 -0.006 0.000 1.226 213 F CB 0.721 39.703 39.000 -0.030 0.000 1.140 213 F HN 0.488 nan 8.300 nan 0.000 0.557 214 A N 4.977 127.334 122.820 -0.771 0.000 2.335 214 A HA 0.510 4.830 4.320 -0.001 0.000 0.304 214 A C -0.449 176.637 177.584 -0.830 0.000 1.118 214 A CA -0.594 51.106 52.037 -0.561 0.000 0.757 214 A CB 0.968 19.814 19.000 -0.257 0.000 1.188 214 A HN 0.792 nan 8.150 nan 0.000 0.460 215 S N 1.683 117.087 115.700 -0.493 0.000 2.572 215 S HA 0.367 4.836 4.470 -0.001 0.000 0.279 215 S C 1.542 176.084 174.600 -0.097 0.000 1.341 215 S CA 0.166 58.251 58.200 -0.192 0.000 1.043 215 S CB 0.762 64.056 63.200 0.156 0.000 0.887 215 S HN 1.621 nan 8.310 nan 0.000 0.516 216 A N 4.500 127.313 122.820 -0.011 0.000 2.019 216 A HA 0.015 4.334 4.320 -0.001 0.000 0.219 216 A C 1.948 179.539 177.584 0.012 0.000 1.164 216 A CA 1.172 53.212 52.037 0.004 0.000 0.644 216 A CB -0.665 18.359 19.000 0.041 0.000 0.805 216 A HN 0.866 nan 8.150 nan 0.000 0.449 217 L N 0.539 121.782 121.223 0.033 0.000 2.376 217 L HA -0.128 4.212 4.340 -0.001 0.000 0.219 217 L C 2.762 179.644 176.870 0.019 0.000 1.133 217 L CA 1.132 55.985 54.840 0.021 0.000 0.816 217 L CB -0.445 41.622 42.059 0.013 0.000 0.933 217 L HN 0.597 nan 8.230 nan 0.000 0.449 218 S N -0.137 115.570 115.700 0.011 0.000 2.442 218 S HA -0.050 4.419 4.470 -0.001 0.000 0.236 218 S C 1.042 175.638 174.600 -0.007 0.000 1.007 218 S CA 0.366 58.564 58.200 -0.002 0.000 0.965 218 S CB -0.323 62.859 63.200 -0.030 0.000 0.773 218 S HN 0.198 nan 8.310 nan 0.000 0.504 219 I N 2.866 123.431 120.570 -0.009 0.000 2.287 219 I HA 0.365 4.535 4.170 -0.001 0.000 0.290 219 I C 0.645 176.760 176.117 -0.003 0.000 1.069 219 I CA -0.579 60.716 61.300 -0.007 0.000 1.237 219 I CB -0.554 37.440 38.000 -0.010 0.000 1.418 219 I HN 0.378 nan 8.210 nan 0.000 0.481 220 E N 4.363 124.562 120.200 -0.002 0.000 2.271 220 E HA 0.292 4.642 4.350 -0.001 0.000 0.255 220 E C 0.087 176.686 176.600 -0.003 0.000 1.177 220 E CA -0.039 56.361 56.400 0.000 0.000 0.946 220 E CB 0.408 30.109 29.700 0.002 0.000 1.009 220 E HN 0.585 nan 8.360 nan 0.000 0.451 221 S N 1.043 116.743 115.700 -0.000 0.000 2.546 221 S HA 0.382 4.851 4.470 -0.001 0.000 0.274 221 S C 0.070 174.675 174.600 0.010 0.000 1.121 221 S CA -0.338 57.858 58.200 -0.006 0.000 0.887 221 S CB 2.004 65.195 63.200 -0.015 0.000 1.094 221 S HN 0.513 nan 8.310 nan 0.000 0.474 222 D N 1.859 122.261 120.400 0.004 0.000 2.355 222 D HA 0.170 4.809 4.640 -0.001 0.000 0.218 222 D C 0.934 177.276 176.300 0.069 0.000 1.004 222 D CA 0.894 54.914 54.000 0.034 0.000 0.880 222 D CB 0.259 41.067 40.800 0.013 0.000 0.911 222 D HN 0.523 nan 8.370 nan 0.000 0.528 223 K N -0.526 119.880 120.400 0.011 0.000 2.373 223 K HA 0.184 4.504 4.320 -0.001 0.000 0.202 223 K C -0.387 176.302 176.600 0.148 0.000 1.025 223 K CA -0.124 56.167 56.287 0.006 0.000 1.115 223 K CB 1.984 34.322 32.500 -0.270 0.000 0.858 223 K HN -0.042 nan 8.250 nan 0.000 0.525 224 V N 2.081 122.060 119.914 0.108 0.000 2.439 224 V HA 0.205 4.324 4.120 -0.001 0.000 0.282 224 V C -0.191 175.961 176.094 0.097 0.000 1.039 224 V CA -0.630 61.724 62.300 0.090 0.000 0.913 224 V CB 1.714 33.562 31.823 0.043 0.000 0.983 224 V HN -0.165 nan 8.190 nan 0.000 0.460 225 V N 5.839 125.806 119.914 0.088 0.000 2.443 225 V HA 0.427 4.547 4.120 -0.001 0.000 0.293 225 V C -0.237 175.877 176.094 0.035 0.000 1.021 225 V CA -0.569 61.760 62.300 0.049 0.000 0.848 225 V CB 1.939 33.788 31.823 0.042 0.000 0.998 225 V HN 0.584 nan 8.190 nan 0.000 0.424 226 V N 5.962 125.879 119.914 0.004 0.000 2.472 226 V HA 0.528 4.648 4.120 -0.001 0.000 0.290 226 V C -0.228 175.865 176.094 -0.002 0.000 1.037 226 V CA -0.523 61.791 62.300 0.023 0.000 0.908 226 V CB 1.899 33.737 31.823 0.026 0.000 0.985 226 V HN 0.579 nan 8.190 nan 0.000 0.454 227 I N 3.808 124.401 120.570 0.039 0.000 2.404 227 I HA 0.604 4.774 4.170 -0.001 0.000 0.293 227 I C -0.352 175.798 176.117 0.056 0.000 0.992 227 I CA -0.213 61.092 61.300 0.009 0.000 1.149 227 I CB 1.648 39.655 38.000 0.012 0.000 1.315 227 I HN 0.607 nan 8.210 nan 0.000 0.446 228 D N 2.850 123.265 120.400 0.025 0.000 2.610 228 D HA 0.668 5.307 4.640 -0.001 0.000 0.271 228 D C -1.338 174.998 176.300 0.060 0.000 1.174 228 D CA -0.127 53.934 54.000 0.102 0.000 0.949 228 D CB 2.665 43.641 40.800 0.294 0.000 1.430 228 D HN 0.500 nan 8.370 nan 0.000 0.467 229 S N -0.400 115.374 115.700 0.124 0.000 2.588 229 S HA 0.347 4.817 4.470 -0.001 0.000 0.269 229 S C -0.068 174.666 174.600 0.223 0.000 1.157 229 S CA -0.525 57.764 58.200 0.148 0.000 0.824 229 S CB 1.169 64.386 63.200 0.029 0.000 1.126 229 S HN 0.097 nan 8.310 nan 0.000 0.464 230 V N 2.090 122.161 119.914 0.261 0.000 3.541 230 V HA 0.155 4.274 4.120 -0.001 0.000 0.267 230 V C 1.321 177.565 176.094 0.249 0.000 1.213 230 V CA 0.629 63.142 62.300 0.356 0.000 1.149 230 V CB -0.350 31.578 31.823 0.176 0.000 0.822 230 V HN 0.738 nan 8.190 nan 0.000 0.462 234 F N 1.534 121.574 119.950 0.149 0.000 2.688 234 F HA 0.368 4.895 4.527 -0.001 0.000 0.310 234 F C 0.438 176.295 175.800 0.095 0.000 1.098 234 F CA 0.255 58.360 58.000 0.176 0.000 1.228 234 F CB 1.604 40.604 39.000 0.001 0.000 1.042 234 F HN 0.011 nan 8.300 nan 0.000 0.557 235 S N 1.269 117.092 115.700 0.205 0.000 3.628 235 S HA -0.190 4.280 4.470 -0.001 0.000 0.373 235 S C 0.300 174.920 174.600 0.033 0.000 0.968 235 S CA 0.521 58.797 58.200 0.127 0.000 1.215 235 S CB -1.139 62.142 63.200 0.136 0.000 0.912 235 S HN 0.634 nan 8.310 nan 0.000 0.495 236 A N 0.602 123.423 122.820 0.001 0.000 2.795 236 A HA 0.513 4.833 4.320 -0.001 0.000 0.282 236 A C 1.435 178.973 177.584 -0.076 0.000 0.964 236 A CA 0.284 52.224 52.037 -0.162 0.000 1.045 236 A CB -0.586 18.221 19.000 -0.321 0.000 1.174 236 A HN 0.791 nan 8.150 nan 0.000 0.493 237 C N -1.015 118.280 119.300 -0.009 0.000 2.401 237 C HA -0.135 4.324 4.460 -0.001 0.000 0.276 237 C C 2.797 177.797 174.990 0.016 0.000 1.233 237 C CA 1.873 60.905 59.018 0.023 0.000 1.753 237 C CB -1.138 26.633 27.740 0.052 0.000 2.029 237 C HN 0.778 nan 8.230 nan 0.000 0.478 238 G N -0.349 108.449 108.800 -0.003 0.000 2.679 238 G HA2 0.167 4.127 3.960 -0.001 0.000 0.212 238 G HA3 0.167 4.127 3.960 -0.001 0.000 0.212 238 G C 1.682 176.593 174.900 0.019 0.000 1.137 238 G CA 0.818 45.927 45.100 0.015 0.000 0.787 238 G HN 0.627 nan 8.290 nan 0.000 0.534 239 A N 0.836 123.648 122.820 -0.014 0.000 1.930 239 A HA 0.102 4.421 4.320 -0.001 0.000 0.217 239 A C 1.701 179.326 177.584 0.068 0.000 1.175 239 A CA 0.965 53.027 52.037 0.042 0.000 0.627 239 A CB -0.098 18.904 19.000 0.004 0.000 0.815 239 A HN 0.267 nan 8.150 nan 0.000 0.443 240 R N -2.014 118.517 120.500 0.052 0.000 3.332 240 R HA -0.124 4.216 4.340 -0.001 0.000 0.263 240 R C -1.064 175.274 176.300 0.063 0.000 1.053 240 R CA 0.820 56.950 56.100 0.051 0.000 0.705 240 R CB -3.102 27.226 30.300 0.046 0.000 1.166 240 R HN 0.376 nan 8.270 nan 0.000 0.427 241 V N -0.546 119.420 119.914 0.086 0.000 2.443 241 V HA 0.851 4.970 4.120 -0.001 0.000 0.293 241 V C 0.945 177.136 176.094 0.162 0.000 1.021 241 V CA 0.048 62.426 62.300 0.129 0.000 0.848 241 V CB 2.128 34.050 31.823 0.165 0.000 0.998 241 V HN 0.554 nan 8.190 nan 0.000 0.424 242 G N 2.537 111.395 108.800 0.098 0.000 2.975 242 G HA2 0.826 4.785 3.960 -0.001 0.000 0.291 242 G HA3 0.826 4.785 3.960 -0.001 0.000 0.291 242 G C -0.862 173.924 174.900 -0.191 0.000 1.334 242 G CA -0.084 45.026 45.100 0.018 0.000 0.843 242 G HN 1.229 nan 8.290 nan 0.000 0.548 243 C N -1.700 117.415 119.300 -0.308 0.000 3.312 243 C HA 0.815 5.274 4.460 -0.001 0.000 0.332 243 C C -1.044 173.799 174.990 -0.246 0.000 1.340 243 C CA -1.070 57.709 59.018 -0.398 0.000 1.265 243 C CB 0.781 27.975 27.740 -0.909 0.000 1.563 243 C HN 1.029 nan 8.230 nan 0.000 0.471 244 L N 2.035 123.149 121.223 -0.182 0.000 2.325 244 L HA 0.841 5.181 4.340 -0.001 0.000 0.281 244 L C -1.160 175.630 176.870 -0.134 0.000 1.004 244 L CA -0.789 53.985 54.840 -0.110 0.000 0.823 244 L CB 0.973 43.012 42.059 -0.033 0.000 1.236 244 L HN 0.804 nan 8.230 nan 0.000 0.415 245 I N 4.361 124.847 120.570 -0.139 0.000 2.465 245 I HA 0.574 4.744 4.170 -0.001 0.000 0.291 245 I C -0.356 175.703 176.117 -0.097 0.000 1.014 245 I CA -0.388 60.817 61.300 -0.158 0.000 1.093 245 I CB 2.209 40.035 38.000 -0.290 0.000 1.267 245 I HN 0.573 nan 8.210 nan 0.000 0.431 246 T N 4.040 118.554 114.554 -0.066 0.000 2.886 246 T HA 0.339 4.688 4.350 -0.001 0.000 0.330 246 T C 0.104 174.799 174.700 -0.008 0.000 1.488 246 T CA -0.580 61.507 62.100 -0.021 0.000 1.054 246 T CB 1.597 70.469 68.868 0.006 0.000 1.348 246 T HN 0.678 nan 8.240 nan 0.000 0.489 247 R N 1.323 121.830 120.500 0.012 0.000 2.300 247 R HA 0.181 4.521 4.340 -0.001 0.000 0.199 247 R C 0.503 176.824 176.300 0.034 0.000 0.920 247 R CA -0.219 55.891 56.100 0.017 0.000 1.046 247 R CB 0.091 30.401 30.300 0.016 0.000 0.984 247 R HN 0.353 nan 8.270 nan 0.000 0.493 248 N N 2.180 120.913 118.700 0.056 0.000 2.402 248 N HA -0.035 4.704 4.740 -0.001 0.000 0.259 248 N C 0.254 175.791 175.510 0.045 0.000 1.167 248 N CA 0.334 53.431 53.050 0.079 0.000 0.949 248 N CB 0.843 39.425 38.487 0.158 0.000 1.212 248 N HN 0.156 nan 8.380 nan 0.000 0.493 249 E N 1.997 122.214 120.200 0.029 0.000 2.153 249 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 249 E C 1.014 177.599 176.600 -0.027 0.000 0.988 249 E CA 0.895 57.297 56.400 0.003 0.000 0.811 249 E CB 0.258 29.959 29.700 0.003 0.000 0.746 249 E HN 0.724 nan 8.360 nan 0.000 0.466 250 E N 0.982 121.177 120.200 -0.009 0.000 2.072 250 E HA -0.160 4.190 4.350 -0.001 0.000 0.190 250 E C 2.171 178.747 176.600 -0.041 0.000 0.982 250 E CA 0.423 56.785 56.400 -0.063 0.000 0.803 250 E CB 0.018 29.740 29.700 0.036 0.000 0.755 250 E HN 0.214 nan 8.360 nan 0.000 0.453 251 L N 0.875 122.137 121.223 0.065 0.000 2.017 251 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 251 L C 2.504 179.371 176.870 -0.004 0.000 1.073 251 L CA 1.273 56.139 54.840 0.044 0.000 0.745 251 L CB -0.216 41.808 42.059 -0.058 0.000 0.894 251 L HN 0.293 nan 8.230 nan 0.000 0.432 252 I N -0.703 119.853 120.570 -0.024 0.000 2.394 252 I HA -0.283 3.886 4.170 -0.001 0.000 0.251 252 I C 2.544 178.625 176.117 -0.059 0.000 1.136 252 I CA 1.441 62.721 61.300 -0.033 0.000 1.425 252 I CB 0.043 38.033 38.000 -0.016 0.000 1.079 252 I HN 0.517 nan 8.210 nan 0.000 0.425 253 S N -0.555 115.082 115.700 -0.105 0.000 2.406 253 S HA -0.200 4.269 4.470 -0.001 0.000 0.228 253 S C 2.001 176.490 174.600 -0.187 0.000 1.020 253 S CA 0.788 58.892 58.200 -0.160 0.000 0.965 253 S CB -0.627 62.442 63.200 -0.218 0.000 0.798 253 S HN 0.524 nan 8.310 nan 0.000 0.488 254 H N 2.080 121.105 119.070 -0.076 0.000 2.395 254 H HA 0.396 4.952 4.556 -0.001 0.000 0.299 254 H C 1.699 176.936 175.328 -0.153 0.000 1.070 254 H CA 0.788 56.777 56.048 -0.098 0.000 1.356 254 H CB -0.865 28.843 29.762 -0.089 0.000 1.401 254 H HN 0.599 nan 8.280 nan 0.000 0.524 258 L N 1.282 122.290 121.223 -0.357 0.000 2.109 258 L HA 0.041 4.381 4.340 -0.001 0.000 0.207 258 L C 2.468 179.022 176.870 -0.526 0.000 1.086 258 L CA 1.559 56.103 54.840 -0.492 0.000 0.760 258 L CB -0.466 41.096 42.059 -0.827 0.000 0.910 258 L HN 0.232 nan 8.230 nan 0.000 0.437 259 A N -0.208 122.249 122.820 -0.605 0.000 1.972 259 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 259 A C 2.232 179.761 177.584 -0.093 0.000 1.169 259 A CA 1.359 53.264 52.037 -0.220 0.000 0.635 259 A CB -0.353 18.567 19.000 -0.134 0.000 0.810 259 A HN 0.466 nan 8.150 nan 0.000 0.446 260 Q N -0.837 118.877 119.800 -0.143 0.000 2.123 260 Q HA -0.051 4.289 4.340 -0.001 0.000 0.199 260 Q C 2.195 178.132 176.000 -0.104 0.000 0.966 260 Q CA 1.009 56.735 55.803 -0.128 0.000 0.845 260 Q CB -0.365 28.292 28.738 -0.135 0.000 0.907 260 Q HN 0.676 nan 8.270 nan 0.000 0.439 261 G N 1.079 109.831 108.800 -0.080 0.000 2.422 261 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.218 261 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.218 261 G C 1.395 176.288 174.900 -0.013 0.000 1.146 261 G CA 0.479 45.553 45.100 -0.043 0.000 0.769 261 G HN 0.175 nan 8.290 nan 0.000 0.547 262 R N -0.154 120.365 120.500 0.032 0.000 2.189 262 R HA 0.129 4.468 4.340 -0.001 0.000 0.218 262 R C 1.468 177.790 176.300 0.038 0.000 1.074 262 R CA 1.029 57.179 56.100 0.083 0.000 0.991 262 R CB -0.143 30.274 30.300 0.195 0.000 0.883 262 R HN 0.414 nan 8.270 nan 0.000 0.457 263 L N -3.038 118.157 121.223 -0.047 0.000 2.993 263 L HA -0.339 4.001 4.340 -0.001 0.000 0.419 263 L C 0.142 177.000 176.870 -0.019 0.000 3.281 263 L CA 1.449 56.192 54.840 -0.162 0.000 2.356 263 L CB -1.585 40.223 42.059 -0.418 0.000 2.614 263 L HN 0.362 nan 8.230 nan 0.000 0.822 264 A N -1.490 121.404 122.820 0.122 0.000 2.567 264 A HA 0.764 5.084 4.320 -0.001 0.000 0.291 264 A C -2.914 174.770 177.584 0.166 0.000 1.048 264 A CA -0.585 51.553 52.037 0.168 0.000 0.661 264 A CB 1.140 20.288 19.000 0.246 0.000 1.288 264 A HN 0.003 nan 8.150 nan 0.000 0.424 265 P HA 0.554 nan 4.420 nan 0.000 0.282 265 P C -2.790 174.566 177.300 0.094 0.000 1.287 265 P CA -1.607 61.560 63.100 0.112 0.000 0.792 265 P CB -0.557 31.208 31.700 0.109 0.000 1.163 266 P HA 0.063 nan 4.420 nan 0.000 0.271 266 P C 0.686 177.991 177.300 0.007 0.000 1.226 266 P CA -0.089 63.032 63.100 0.035 0.000 0.765 266 P CB 0.226 31.950 31.700 0.039 0.000 0.835 267 L N 5.110 126.306 121.223 -0.045 0.000 1.976 267 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 267 L C 1.767 178.567 176.870 -0.116 0.000 1.071 267 L CA 2.087 56.864 54.840 -0.105 0.000 0.746 267 L CB -1.299 40.614 42.059 -0.243 0.000 0.890 267 L HN 0.234 nan 8.230 nan 0.000 0.432 268 L N -0.135 121.013 121.223 -0.124 0.000 2.083 268 L HA -0.175 4.165 4.340 -0.001 0.000 0.209 268 L C 2.544 179.302 176.870 -0.185 0.000 1.083 268 L CA 1.420 56.168 54.840 -0.153 0.000 0.752 268 L CB -1.116 40.869 42.059 -0.124 0.000 0.899 268 L HN 0.321 nan 8.230 nan 0.000 0.433 269 E N -0.316 119.840 120.200 -0.073 0.000 2.106 269 E HA -0.207 4.143 4.350 -0.001 0.000 0.192 269 E C 2.160 178.757 176.600 -0.006 0.000 0.984 269 E CA 0.934 57.349 56.400 0.024 0.000 0.806 269 E CB -0.226 29.545 29.700 0.118 0.000 0.750 269 E HN 0.643 nan 8.360 nan 0.000 0.458 270 Q N 0.256 120.043 119.800 -0.021 0.000 2.079 270 Q HA -0.028 4.312 4.340 -0.001 0.000 0.200 270 Q C 2.436 178.385 176.000 -0.085 0.000 0.974 270 Q CA 0.809 56.608 55.803 -0.007 0.000 0.840 270 Q CB -0.085 28.673 28.738 0.033 0.000 0.898 270 Q HN 0.286 nan 8.270 nan 0.000 0.430 271 I N 0.432 120.920 120.570 -0.138 0.000 2.226 271 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 271 I C 2.292 178.244 176.117 -0.275 0.000 1.100 271 I CA 1.261 62.457 61.300 -0.174 0.000 1.374 271 I CB -0.539 37.359 38.000 -0.171 0.000 1.057 271 I HN 0.283 nan 8.210 nan 0.000 0.413 272 G N -0.303 108.208 108.800 -0.481 0.000 2.421 272 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.217 272 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.217 272 G C 1.723 176.439 174.900 -0.307 0.000 1.143 272 G CA 0.687 45.318 45.100 -0.782 0.000 0.784 272 G HN 0.347 nan 8.290 nan 0.000 0.541 273 S N 0.120 115.738 115.700 -0.137 0.000 2.419 273 S HA -0.083 4.387 4.470 -0.001 0.000 0.233 273 S C 2.437 176.858 174.600 -0.298 0.000 1.016 273 S CA 0.873 58.983 58.200 -0.150 0.000 0.974 273 S CB -0.062 63.081 63.200 -0.096 0.000 0.786 273 S HN 0.195 nan 8.310 nan 0.000 0.492 274 V N 1.657 121.431 119.914 -0.233 0.000 2.407 274 V HA -0.147 3.972 4.120 -0.001 0.000 0.248 274 V C 2.576 178.542 176.094 -0.214 0.000 1.055 274 V CA 1.926 64.097 62.300 -0.215 0.000 1.049 274 V CB -1.383 30.355 31.823 -0.141 0.000 0.662 274 V HN 0.587 nan 8.190 nan 0.000 0.455 275 G N -0.389 108.284 108.800 -0.212 0.000 2.402 275 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.216 275 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.216 275 G C 1.570 176.307 174.900 -0.272 0.000 1.162 275 G CA 0.699 45.683 45.100 -0.194 0.000 0.777 275 G HN 0.456 nan 8.290 nan 0.000 0.539 276 L N -0.060 120.915 121.223 -0.412 0.000 2.017 276 L HA 0.007 4.347 4.340 -0.001 0.000 0.208 276 L C 2.825 179.252 176.870 -0.738 0.000 1.073 276 L CA 0.642 55.019 54.840 -0.772 0.000 0.745 276 L CB -0.439 40.893 42.059 -1.213 0.000 0.894 276 L HN 0.158 nan 8.230 nan 0.000 0.432 277 L N -0.095 120.782 121.223 -0.576 0.000 2.265 277 L HA -0.161 4.179 4.340 -0.001 0.000 0.215 277 L C 1.507 178.405 176.870 0.047 0.000 1.117 277 L CA 0.665 55.370 54.840 -0.226 0.000 0.782 277 L CB -0.486 41.355 42.059 -0.365 0.000 0.914 277 L HN 0.352 nan 8.230 nan 0.000 0.441 278 N N -0.331 118.351 118.700 -0.031 0.000 2.336 278 N HA 0.149 4.889 4.740 -0.001 0.000 0.189 278 N C 0.329 175.894 175.510 0.092 0.000 1.113 278 N CA 0.125 53.201 53.050 0.043 0.000 0.858 278 N CB 0.006 38.484 38.487 -0.014 0.000 0.970 278 N HN 0.202 nan 8.380 nan 0.000 0.471 279 L N 1.695 122.976 121.223 0.097 0.000 2.514 279 L HA -0.047 4.293 4.340 -0.001 0.000 0.280 279 L C 0.738 177.804 176.870 0.326 0.000 1.223 279 L CA -0.217 54.673 54.840 0.084 0.000 0.864 279 L CB 0.199 42.122 42.059 -0.225 0.000 1.118 279 L HN 0.213 nan 8.230 nan 0.000 0.494 280 D N 0.660 121.204 120.400 0.241 0.000 2.384 280 D HA -0.017 4.623 4.640 -0.001 0.000 0.244 280 D C 0.463 177.029 176.300 0.443 0.000 1.251 280 D CA -0.499 53.670 54.000 0.282 0.000 0.961 280 D CB 0.486 41.388 40.800 0.169 0.000 1.116 280 D HN 0.385 nan 8.370 nan 0.000 0.484 281 D N -0.292 120.315 120.400 0.344 0.000 2.149 281 D HA -0.149 4.491 4.640 -0.001 0.000 0.198 281 D C 2.030 178.536 176.300 0.343 0.000 0.990 281 D CA 1.446 55.660 54.000 0.357 0.000 0.839 281 D CB -0.486 40.429 40.800 0.192 0.000 0.948 281 D HN 0.372 nan 8.370 nan 0.000 0.460 282 S N 0.362 116.211 115.700 0.248 0.000 2.374 282 S HA -0.212 4.258 4.470 -0.001 0.000 0.227 282 S C 1.724 176.453 174.600 0.214 0.000 1.037 282 S CA 0.871 59.188 58.200 0.195 0.000 1.024 282 S CB -0.536 62.748 63.200 0.141 0.000 0.861 282 S HN 0.340 nan 8.310 nan 0.000 0.456 283 F N 1.764 121.757 119.950 0.073 0.000 2.095 283 F HA -0.113 4.414 4.527 -0.001 0.000 0.298 283 F C 1.679 177.451 175.800 -0.047 0.000 1.104 283 F CA 1.280 59.249 58.000 -0.051 0.000 1.232 283 F CB -0.524 38.337 39.000 -0.232 0.000 0.987 283 F HN 0.133 nan 8.300 nan 0.000 0.475 284 F N 0.853 120.831 119.950 0.047 0.000 2.234 284 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 284 F C 2.213 177.976 175.800 -0.062 0.000 1.087 284 F CA 1.288 59.239 58.000 -0.082 0.000 1.340 284 F CB -0.895 38.153 39.000 0.080 0.000 1.031 284 F HN -0.035 nan 8.300 nan 0.000 0.500 285 D N -0.114 120.395 120.400 0.181 0.000 2.117 285 D HA -0.211 4.429 4.640 -0.001 0.000 0.197 285 D C 2.032 178.378 176.300 0.078 0.000 0.987 285 D CA 1.147 55.224 54.000 0.128 0.000 0.829 285 D CB -0.801 40.082 40.800 0.139 0.000 0.961 285 D HN 0.240 nan 8.370 nan 0.000 0.460 286 F N 1.364 121.259 119.950 -0.092 0.000 2.102 286 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 286 F C 2.134 177.824 175.800 -0.184 0.000 1.105 286 F CA 1.075 58.995 58.000 -0.133 0.000 1.239 286 F CB -0.235 38.674 39.000 -0.152 0.000 0.991 286 F HN -0.206 nan 8.300 nan 0.000 0.474 287 V N 1.159 120.920 119.914 -0.255 0.000 2.307 287 V HA -0.286 3.833 4.120 -0.001 0.000 0.245 287 V C 2.604 178.664 176.094 -0.056 0.000 1.045 287 V CA 2.282 64.417 62.300 -0.275 0.000 1.024 287 V CB -0.848 30.783 31.823 -0.320 0.000 0.651 287 V HN 0.335 nan 8.190 nan 0.000 0.449 288 R N 0.111 120.625 120.500 0.023 0.000 2.083 288 R HA -0.254 4.085 4.340 -0.001 0.000 0.237 288 R C 2.319 178.730 176.300 0.185 0.000 1.137 288 R CA 2.244 58.431 56.100 0.146 0.000 0.951 288 R CB -0.233 30.125 30.300 0.097 0.000 0.851 288 R HN 0.500 nan 8.270 nan 0.000 0.434 289 E N -0.441 119.767 120.200 0.015 0.000 2.208 289 E HA -0.078 4.271 4.350 -0.001 0.000 0.193 289 E C 1.601 178.098 176.600 -0.171 0.000 0.988 289 E CA 1.642 58.016 56.400 -0.042 0.000 0.828 289 E CB -0.050 29.612 29.700 -0.063 0.000 0.763 289 E HN 0.304 nan 8.360 nan 0.000 0.478 290 T N -0.329 114.007 114.554 -0.363 0.000 2.674 290 T HA -0.153 4.197 4.350 -0.001 0.000 0.265 290 T C 1.215 175.700 174.700 -0.357 0.000 1.039 290 T CA 1.570 63.361 62.100 -0.515 0.000 1.150 290 T CB -0.496 67.856 68.868 -0.859 0.000 0.864 290 T HN 0.250 nan 8.240 nan 0.000 0.427 291 Y N 1.185 121.431 120.300 -0.090 0.000 2.352 291 Y HA 0.025 4.574 4.550 -0.001 0.000 0.292 291 Y C 2.611 178.441 175.900 -0.117 0.000 1.136 291 Y CA 0.602 58.713 58.100 0.018 0.000 1.227 291 Y CB -0.333 38.282 38.460 0.259 0.000 0.991 291 Y HN 0.058 nan 8.280 nan 0.000 0.545 292 R N 0.856 121.331 120.500 -0.042 0.000 2.070 292 R HA -0.185 4.155 4.340 -0.001 0.000 0.233 292 R C 1.843 177.939 176.300 -0.340 0.000 1.137 292 R CA 1.999 57.791 56.100 -0.513 0.000 0.945 292 R CB -0.184 29.991 30.300 -0.208 0.000 0.845 292 R HN 0.397 nan 8.270 nan 0.000 0.430 293 E N -0.225 119.854 120.200 -0.201 0.000 2.110 293 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 293 E C 2.258 178.768 176.600 -0.151 0.000 0.988 293 E CA 1.090 57.393 56.400 -0.162 0.000 0.804 293 E CB 0.003 29.618 29.700 -0.142 0.000 0.745 293 E HN 0.359 nan 8.360 nan 0.000 0.458 294 R N 0.404 120.815 120.500 -0.148 0.000 2.062 294 R HA -0.097 4.243 4.340 -0.001 0.000 0.231 294 R C 2.506 178.748 176.300 -0.097 0.000 1.136 294 R CA 1.176 57.210 56.100 -0.110 0.000 0.948 294 R CB -0.467 29.784 30.300 -0.082 0.000 0.845 294 R HN 0.035 nan 8.270 nan 0.000 0.430 295 V N 1.207 121.048 119.914 -0.122 0.000 2.287 295 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 295 V C 2.388 178.406 176.094 -0.127 0.000 1.053 295 V CA 2.214 64.439 62.300 -0.127 0.000 1.027 295 V CB -0.455 31.230 31.823 -0.230 0.000 0.646 295 V HN 0.347 nan 8.190 nan 0.000 0.447 296 E N -0.671 119.428 120.200 -0.169 0.000 2.085 296 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 296 E C 2.288 178.841 176.600 -0.079 0.000 0.994 296 E CA 1.647 57.978 56.400 -0.115 0.000 0.801 296 E CB -1.064 28.561 29.700 -0.125 0.000 0.743 296 E HN 0.841 nan 8.360 nan 0.000 0.453 297 T N 0.694 115.196 114.554 -0.086 0.000 2.684 297 T HA -0.174 4.176 4.350 -0.001 0.000 0.267 297 T C 2.103 176.762 174.700 -0.068 0.000 1.036 297 T CA 1.589 63.647 62.100 -0.070 0.000 1.148 297 T CB -0.440 68.384 68.868 -0.075 0.000 0.863 297 T HN 0.176 nan 8.240 nan 0.000 0.436 298 V N 1.488 121.356 119.914 -0.077 0.000 2.307 298 V HA -0.110 4.009 4.120 -0.001 0.000 0.245 298 V C 2.525 178.542 176.094 -0.128 0.000 1.045 298 V CA 1.425 63.670 62.300 -0.091 0.000 1.024 298 V CB -0.751 31.026 31.823 -0.075 0.000 0.651 298 V HN 0.435 nan 8.190 nan 0.000 0.449 299 L N -0.419 120.743 121.223 -0.101 0.000 2.043 299 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 299 L C 2.625 179.429 176.870 -0.109 0.000 1.075 299 L CA 1.884 56.661 54.840 -0.105 0.000 0.752 299 L CB -0.682 41.414 42.059 0.062 0.000 0.891 299 L HN 0.316 nan 8.230 nan 0.000 0.432 300 K N -0.368 120.001 120.400 -0.052 0.000 2.057 300 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 300 K C 2.220 178.800 176.600 -0.033 0.000 1.050 300 K CA 0.911 57.182 56.287 -0.027 0.000 0.935 300 K CB -0.049 32.439 32.500 -0.020 0.000 0.715 300 K HN 0.118 nan 8.250 nan 0.000 0.439 301 K N 1.126 121.507 120.400 -0.031 0.000 2.097 301 K HA -0.080 4.240 4.320 -0.001 0.000 0.206 301 K C 2.151 178.798 176.600 0.078 0.000 1.049 301 K CA 1.106 57.427 56.287 0.057 0.000 0.933 301 K CB -0.287 32.225 32.500 0.020 0.000 0.717 301 K HN 0.173 nan 8.250 nan 0.000 0.442 302 L N 0.556 121.691 121.223 -0.147 0.000 2.056 302 L HA -0.163 4.177 4.340 -0.001 0.000 0.207 302 L C 2.614 179.359 176.870 -0.208 0.000 1.078 302 L CA 1.294 55.965 54.840 -0.282 0.000 0.749 302 L CB -0.414 41.217 42.059 -0.713 0.000 0.901 302 L HN 0.279 nan 8.230 nan 0.000 0.433 303 E N 0.853 120.938 120.200 -0.191 0.000 2.072 303 E HA -0.260 4.089 4.350 -0.001 0.000 0.191 303 E C 1.994 178.601 176.600 0.011 0.000 0.985 303 E CA 1.477 57.883 56.400 0.011 0.000 0.801 303 E CB 0.054 29.821 29.700 0.111 0.000 0.750 303 E HN 0.642 nan 8.360 nan 0.000 0.452 304 E N -0.812 119.372 120.200 -0.027 0.000 2.268 304 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 304 E C 0.934 177.393 176.600 -0.234 0.000 0.995 304 E CA 1.117 57.443 56.400 -0.123 0.000 0.836 304 E CB -0.295 29.303 29.700 -0.171 0.000 0.763 304 E HN 0.462 nan 8.360 nan 0.000 0.491 305 H N -0.244 118.803 119.070 -0.039 0.000 2.538 305 H HA 0.290 4.846 4.556 -0.001 0.000 0.286 305 H C 1.016 176.330 175.328 -0.024 0.000 1.035 305 H CA 0.412 56.441 56.048 -0.031 0.000 1.169 305 H CB 0.896 30.634 29.762 -0.039 0.000 1.417 305 H HN 0.399 nan 8.280 nan 0.000 0.567 306 G N 0.631 109.459 108.800 0.046 0.000 2.184 306 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.264 306 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.264 306 G C 0.124 175.059 174.900 0.059 0.000 0.975 306 G CA 0.162 45.288 45.100 0.044 0.000 0.642 306 G HN 0.338 nan 8.290 nan 0.000 0.536 307 L N 0.596 121.855 121.223 0.060 0.000 2.410 307 L HA 0.667 5.006 4.340 -0.001 0.000 0.273 307 L C 1.457 178.460 176.870 0.222 0.000 1.144 307 L CA 1.650 56.535 54.840 0.074 0.000 0.863 307 L CB 0.598 42.651 42.059 -0.010 0.000 1.140 307 L HN 0.416 nan 8.230 nan 0.000 0.463 308 K N 4.835 125.355 120.400 0.199 0.000 2.102 308 K HA 0.220 4.540 4.320 -0.001 0.000 0.206 308 K C 1.000 177.705 176.600 0.176 0.000 1.031 308 K CA 0.739 57.141 56.287 0.192 0.000 0.962 308 K CB -0.395 32.147 32.500 0.070 0.000 0.811 308 K HN 0.667 nan 8.250 nan 0.000 0.453 309 R N 1.144 121.722 120.500 0.130 0.000 2.429 309 R HA 0.365 4.705 4.340 -0.001 0.000 0.302 309 R C -1.064 175.347 176.300 0.185 0.000 1.268 309 R CA -0.228 55.909 56.100 0.062 0.000 1.090 309 R CB -0.749 29.568 30.300 0.027 0.000 1.102 309 R HN 0.570 nan 8.270 nan 0.000 0.522 310 F N -2.036 117.926 119.950 0.020 0.000 2.645 310 F HA 0.469 4.996 4.527 -0.001 0.000 0.310 310 F C -0.546 175.285 175.800 0.053 0.000 1.102 310 F CA -1.265 56.758 58.000 0.038 0.000 0.952 310 F CB 1.622 40.637 39.000 0.025 0.000 1.326 310 F HN -0.049 nan 8.300 nan 0.000 0.456 311 T N 1.105 115.776 114.554 0.194 0.000 2.859 311 T HA 0.419 4.769 4.350 -0.001 0.000 0.281 311 T C -0.882 173.913 174.700 0.160 0.000 1.005 311 T CA -0.731 61.434 62.100 0.108 0.000 1.025 311 T CB 0.701 69.693 68.868 0.207 0.000 0.977 311 T HN 0.706 nan 8.240 nan 0.000 0.458 312 K N 6.028 126.475 120.400 0.078 0.000 2.263 312 K HA 0.351 4.670 4.320 -0.001 0.000 0.282 312 K C -2.170 174.487 176.600 0.094 0.000 1.089 312 K CA -1.695 54.654 56.287 0.104 0.000 0.907 312 K CB 0.979 33.514 32.500 0.059 0.000 1.148 312 K HN 0.534 nan 8.250 nan 0.000 0.470 313 P HA 0.108 nan 4.420 nan 0.000 0.278 313 P C -0.236 177.171 177.300 0.178 0.000 1.238 313 P CA -0.327 62.840 63.100 0.110 0.000 0.794 313 P CB 1.535 33.306 31.700 0.118 0.000 0.955 314 S N 0.229 115.993 115.700 0.107 0.000 2.503 314 S HA 0.287 4.756 4.470 -0.001 0.000 0.217 314 S C 0.974 175.578 174.600 0.008 0.000 0.999 314 S CA 0.556 58.823 58.200 0.111 0.000 0.914 314 S CB 0.042 63.259 63.200 0.029 0.000 0.782 314 S HN 0.839 nan 8.310 nan 0.000 0.520 315 G N -0.453 108.291 108.800 -0.093 0.000 2.645 315 G HA2 0.666 4.626 3.960 -0.001 0.000 0.292 315 G HA3 0.666 4.626 3.960 -0.001 0.000 0.292 315 G C -0.682 174.022 174.900 -0.327 0.000 1.415 315 G CA -0.040 44.816 45.100 -0.407 0.000 0.785 315 G HN 0.744 nan 8.290 nan 0.000 0.483 316 A N -1.481 121.038 122.820 -0.502 0.000 6.506 316 A HA 0.221 4.540 4.320 -0.001 0.000 0.234 316 A C 0.203 177.519 177.584 -0.447 0.000 2.257 316 A CA 1.335 52.956 52.037 -0.693 0.000 0.695 316 A CB -1.412 17.025 19.000 -0.939 0.000 0.929 316 A HN 2.341 nan 8.150 nan 0.000 0.364 317 F N -2.974 116.629 119.950 -0.579 0.000 2.850 317 F HA 0.702 5.229 4.527 -0.001 0.000 0.329 317 F C -0.329 175.132 175.800 -0.565 0.000 1.182 317 F CA -0.947 56.775 58.000 -0.464 0.000 1.270 317 F CB -0.549 38.127 39.000 -0.539 0.000 0.979 317 F HN 0.437 nan 8.300 nan 0.000 0.506 318 Y N 1.048 121.307 120.300 -0.068 0.000 2.468 318 Y HA 0.732 5.282 4.550 -0.001 0.000 0.342 318 Y C -0.141 175.729 175.900 -0.050 0.000 1.021 318 Y CA -1.890 56.173 58.100 -0.062 0.000 1.079 318 Y CB 1.957 40.290 38.460 -0.211 0.000 1.226 318 Y HN -0.019 nan 8.280 nan 0.000 0.460 319 I N 2.118 122.771 120.570 0.139 0.000 2.478 319 I HA 0.319 4.489 4.170 -0.001 0.000 0.287 319 I C -0.818 175.337 176.117 0.064 0.000 1.042 319 I CA -0.554 60.802 61.300 0.094 0.000 1.067 319 I CB 2.087 40.137 38.000 0.082 0.000 1.233 319 I HN 0.564 nan 8.210 nan 0.000 0.431 320 T N 5.239 119.826 114.554 0.055 0.000 2.795 320 T HA 0.762 5.112 4.350 -0.001 0.000 0.282 320 T C -0.234 174.549 174.700 0.138 0.000 0.980 320 T CA -0.481 61.642 62.100 0.038 0.000 1.012 320 T CB 1.547 70.399 68.868 -0.027 0.000 0.936 320 T HN 0.701 nan 8.240 nan 0.000 0.457 321 A N 2.031 124.922 122.820 0.118 0.000 2.515 321 A HA 0.714 5.033 4.320 -0.001 0.000 0.298 321 A C -0.697 176.948 177.584 0.101 0.000 1.059 321 A CA -0.788 51.340 52.037 0.152 0.000 0.698 321 A CB 1.639 20.716 19.000 0.128 0.000 1.289 321 A HN 0.557 nan 8.150 nan 0.000 0.404 322 E N 1.784 122.043 120.200 0.098 0.000 2.156 322 E HA 0.597 4.946 4.350 -0.001 0.000 0.279 322 E C -0.891 175.708 176.600 -0.001 0.000 0.965 322 E CA -0.393 56.033 56.400 0.044 0.000 0.789 322 E CB 0.885 30.610 29.700 0.042 0.000 1.098 322 E HN 0.566 nan 8.360 nan 0.000 0.397 323 L N 5.052 126.236 121.223 -0.065 0.000 2.375 323 L HA 0.561 4.901 4.340 -0.001 0.000 0.268 323 L C -1.710 175.072 176.870 -0.148 0.000 1.058 323 L CA -2.412 52.336 54.840 -0.153 0.000 0.803 323 L CB 1.845 43.721 42.059 -0.304 0.000 1.212 323 L HN 0.547 nan 8.230 nan 0.000 0.451 324 P HA 0.199 nan 4.420 nan 0.000 0.214 324 P C -0.897 176.317 177.300 -0.143 0.000 1.826 324 P CA 0.044 63.072 63.100 -0.120 0.000 0.977 324 P CB 0.250 31.895 31.700 -0.093 0.000 1.930 325 V N -0.234 119.585 119.914 -0.159 0.000 3.078 325 V HA 0.457 4.577 4.120 -0.001 0.000 0.311 325 V C 1.702 177.757 176.094 -0.064 0.000 1.138 325 V CA -0.252 61.969 62.300 -0.131 0.000 1.007 325 V CB 1.333 32.961 31.823 -0.326 0.000 1.045 325 V HN 0.140 nan 8.190 nan 0.000 0.432 326 E N 1.028 121.225 120.200 -0.004 0.000 2.028 326 E HA -0.116 4.233 4.350 -0.001 0.000 0.191 326 E C 0.577 177.177 176.600 0.000 0.000 0.988 326 E CA 1.754 58.155 56.400 0.001 0.000 0.799 326 E CB -0.004 29.709 29.700 0.020 0.000 0.755 326 E HN 0.816 nan 8.360 nan 0.000 0.447 327 D N -2.182 118.230 120.400 0.020 0.000 2.549 327 D HA 0.615 5.255 4.640 -0.001 0.000 0.251 327 D C 0.614 176.923 176.300 0.015 0.000 1.153 327 D CA 0.192 54.206 54.000 0.024 0.000 0.861 327 D CB 1.355 42.186 40.800 0.051 0.000 1.207 327 D HN 0.131 nan 8.370 nan 0.000 0.543 328 A N 3.683 126.508 122.820 0.009 0.000 1.930 328 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 328 A C 1.797 179.436 177.584 0.092 0.000 1.175 328 A CA 1.416 53.476 52.037 0.038 0.000 0.627 328 A CB -0.421 18.605 19.000 0.042 0.000 0.815 328 A HN 0.709 nan 8.150 nan 0.000 0.443 329 E N -0.397 119.843 120.200 0.068 0.000 2.153 329 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 329 E C 2.116 178.742 176.600 0.044 0.000 0.988 329 E CA 1.465 57.900 56.400 0.058 0.000 0.811 329 E CB -0.131 29.602 29.700 0.056 0.000 0.746 329 E HN 0.689 nan 8.360 nan 0.000 0.466 330 E N 0.493 120.734 120.200 0.069 0.000 2.107 330 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 330 E C 1.576 178.259 176.600 0.138 0.000 0.982 330 E CA 1.124 57.584 56.400 0.099 0.000 0.809 330 E CB -0.995 28.796 29.700 0.151 0.000 0.756 330 E HN 0.456 nan 8.360 nan 0.000 0.459 331 F N 1.394 121.258 119.950 -0.144 0.000 2.186 331 F HA 0.166 4.693 4.527 -0.001 0.000 0.299 331 F C 2.584 178.327 175.800 -0.095 0.000 1.090 331 F CA 1.467 59.233 58.000 -0.390 0.000 1.307 331 F CB -0.403 38.123 39.000 -0.791 0.000 1.019 331 F HN 0.255 nan 8.300 nan 0.000 0.489 332 A N 1.745 124.461 122.820 -0.173 0.000 1.902 332 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 332 A C 2.343 179.817 177.584 -0.183 0.000 1.181 332 A CA 1.880 53.787 52.037 -0.216 0.000 0.623 332 A CB -0.859 18.110 19.000 -0.052 0.000 0.818 332 A HN 0.600 nan 8.150 nan 0.000 0.443 333 R N -2.076 118.332 120.500 -0.154 0.000 2.075 333 R HA -0.112 4.227 4.340 -0.001 0.000 0.232 333 R C 1.374 177.545 176.300 -0.216 0.000 1.126 333 R CA 0.815 56.728 56.100 -0.313 0.000 0.963 333 R CB -0.688 29.254 30.300 -0.598 0.000 0.858 333 R HN 0.551 nan 8.270 nan 0.000 0.435 337 T N -2.241 112.228 114.554 -0.142 0.000 2.706 337 T HA -0.033 4.316 4.350 -0.001 0.000 0.255 337 T C 1.165 175.741 174.700 -0.206 0.000 1.048 337 T CA 1.553 63.589 62.100 -0.106 0.000 1.153 337 T CB -0.803 68.024 68.868 -0.068 0.000 0.865 337 T HN 0.317 nan 8.240 nan 0.000 0.414 338 D N -0.014 120.136 120.400 -0.417 0.000 2.491 338 D HA 0.559 5.198 4.640 -0.001 0.000 0.228 338 D C -0.325 175.581 176.300 -0.656 0.000 1.183 338 D CA -0.694 53.003 54.000 -0.504 0.000 0.827 338 D CB -0.618 39.892 40.800 -0.483 0.000 0.989 338 D HN 0.498 nan 8.370 nan 0.000 0.494 339 F N -0.994 118.530 119.950 -0.710 0.000 2.650 339 F HA 0.545 5.071 4.527 -0.001 0.000 0.310 339 F C -0.508 175.106 175.800 -0.311 0.000 1.112 339 F CA 0.078 57.724 58.000 -0.590 0.000 0.986 339 F CB 1.111 39.551 39.000 -0.933 0.000 1.285 339 F HN 0.288 nan 8.300 nan 0.000 0.440 343 G N 0.828 109.553 108.800 -0.124 0.000 2.179 343 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.257 343 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.257 343 G C -0.010 174.818 174.900 -0.120 0.000 1.010 343 G CA 0.458 45.487 45.100 -0.119 0.000 0.736 343 G HN 0.389 nan 8.290 nan 0.000 0.513 344 E N -0.886 119.241 120.200 -0.121 0.000 2.312 344 E HA 0.733 5.082 4.350 -0.001 0.000 0.267 344 E C -0.459 176.098 176.600 -0.072 0.000 0.894 344 E CA -0.529 55.815 56.400 -0.094 0.000 0.773 344 E CB 2.401 32.118 29.700 0.028 0.000 1.241 344 E HN 0.117 nan 8.360 nan 0.000 0.432 345 T N 0.338 114.864 114.554 -0.047 0.000 2.843 345 T HA 0.509 4.859 4.350 -0.001 0.000 0.302 345 T C -1.041 173.692 174.700 0.055 0.000 1.232 345 T CA -0.288 61.830 62.100 0.031 0.000 1.009 345 T CB 1.930 70.780 68.868 -0.030 0.000 1.254 345 T HN 0.409 nan 8.240 nan 0.000 0.504 349 A N 2.178 125.068 122.820 0.117 0.000 2.252 349 A HA 0.931 5.251 4.320 -0.001 0.000 0.309 349 A C -2.601 175.074 177.584 0.151 0.000 1.285 349 A CA -1.822 50.308 52.037 0.154 0.000 0.900 349 A CB 0.396 19.529 19.000 0.220 0.000 1.157 349 A HN 0.765 nan 8.150 nan 0.000 0.536 350 P HA 0.048 nan 4.420 nan 0.000 0.268 350 P C 0.647 178.082 177.300 0.224 0.000 1.204 350 P CA -0.194 62.993 63.100 0.146 0.000 0.768 350 P CB 0.653 32.424 31.700 0.117 0.000 0.842 351 L N 3.724 125.063 121.223 0.194 0.000 2.554 351 L HA 0.079 4.419 4.340 -0.001 0.000 0.226 351 L C 2.253 179.377 176.870 0.424 0.000 1.137 351 L CA 1.086 56.087 54.840 0.268 0.000 0.863 351 L CB -0.825 41.322 42.059 0.147 0.000 0.985 351 L HN 0.264 nan 8.230 nan 0.000 0.451 352 R N -0.486 120.180 120.500 0.277 0.000 2.117 352 R HA -0.166 4.173 4.340 -0.001 0.000 0.243 352 R C 1.932 178.347 176.300 0.193 0.000 1.143 352 R CA 1.505 57.736 56.100 0.218 0.000 0.968 352 R CB -0.599 29.764 30.300 0.105 0.000 0.863 352 R HN 0.472 nan 8.270 nan 0.000 0.444 353 G N -0.853 108.013 108.800 0.111 0.000 2.598 353 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.215 353 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.215 353 G C 0.731 175.413 174.900 -0.363 0.000 1.131 353 G CA 0.075 45.092 45.100 -0.138 0.000 0.785 353 G HN 0.305 nan 8.290 nan 0.000 0.539 354 F N -0.889 118.939 119.950 -0.204 0.000 2.765 354 F HA 0.398 4.925 4.527 -0.001 0.000 0.302 354 F C 0.157 175.606 175.800 -0.585 0.000 1.111 354 F CA -0.646 57.062 58.000 -0.486 0.000 1.359 354 F CB 0.110 38.854 39.000 -0.428 0.000 1.097 354 F HN -0.042 nan 8.300 nan 0.000 0.577 355 Y N -0.854 119.401 120.300 -0.074 0.000 2.446 355 Y HA 0.393 4.943 4.550 -0.001 0.000 0.338 355 Y C 0.552 176.491 175.900 0.064 0.000 1.055 355 Y CA -0.909 57.220 58.100 0.048 0.000 1.101 355 Y CB 1.617 40.133 38.460 0.093 0.000 1.221 355 Y HN -0.229 nan 8.280 nan 0.000 0.460 356 L N 0.562 122.005 121.223 0.366 0.000 2.316 356 L HA 0.191 4.531 4.340 -0.001 0.000 0.207 356 L C 0.704 177.692 176.870 0.197 0.000 1.070 356 L CA 0.991 55.993 54.840 0.271 0.000 0.820 356 L CB -0.035 42.226 42.059 0.336 0.000 0.992 356 L HN 0.595 nan 8.230 nan 0.000 0.466 357 T N 3.816 118.501 114.554 0.218 0.000 2.829 357 T HA 0.116 4.466 4.350 -0.001 0.000 0.293 357 T C -2.380 172.378 174.700 0.097 0.000 0.970 357 T CA -0.786 61.400 62.100 0.144 0.000 1.168 357 T CB 0.129 69.087 68.868 0.150 0.000 0.911 357 T HN 0.131 nan 8.240 nan 0.000 0.535 358 P HA 0.250 nan 4.420 nan 0.000 0.271 358 P C 1.008 178.310 177.300 0.002 0.000 1.216 358 P CA 0.191 63.312 63.100 0.035 0.000 0.771 358 P CB 0.774 32.495 31.700 0.034 0.000 0.864 359 G N 1.969 110.756 108.800 -0.021 0.000 2.258 359 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.233 359 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.233 359 G C -0.006 174.821 174.900 -0.123 0.000 1.006 359 G CA -0.248 44.822 45.100 -0.049 0.000 0.620 359 G HN 0.480 nan 8.290 nan 0.000 0.511 360 L N 0.737 121.830 121.223 -0.216 0.000 2.371 360 L HA 0.505 4.844 4.340 -0.001 0.000 0.272 360 L C 1.721 178.171 176.870 -0.700 0.000 1.124 360 L CA 0.677 55.202 54.840 -0.525 0.000 0.816 360 L CB 0.994 42.603 42.059 -0.750 0.000 1.129 360 L HN 1.153 nan 8.230 nan 0.000 0.448 361 G N 0.805 109.232 108.800 -0.622 0.000 2.147 361 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.244 361 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.244 361 G C 0.922 175.798 174.900 -0.040 0.000 1.005 361 G CA 0.653 45.627 45.100 -0.210 0.000 0.713 361 G HN 0.792 nan 8.290 nan 0.000 0.515 362 K N 0.412 120.769 120.400 -0.071 0.000 2.097 362 K HA 0.128 4.448 4.320 -0.001 0.000 0.205 362 K C 2.028 178.624 176.600 -0.007 0.000 1.050 362 K CA 1.914 58.187 56.287 -0.023 0.000 0.938 362 K CB -0.501 31.980 32.500 -0.032 0.000 0.718 362 K HN 1.062 nan 8.250 nan 0.000 0.442 363 K N 0.504 120.893 120.400 -0.018 0.000 2.440 363 K HA 0.243 4.563 4.320 -0.001 0.000 0.206 363 K C -0.546 176.049 176.600 -0.008 0.000 1.025 363 K CA -0.291 55.980 56.287 -0.026 0.000 1.135 363 K CB 0.488 32.962 32.500 -0.044 0.000 0.856 363 K HN 0.421 nan 8.250 nan 0.000 0.502 364 E N 1.860 122.080 120.200 0.033 0.000 2.212 364 E HA 0.491 4.841 4.350 -0.001 0.000 0.270 364 E C -0.388 176.255 176.600 0.071 0.000 0.956 364 E CA -1.038 55.403 56.400 0.067 0.000 0.825 364 E CB 1.919 31.697 29.700 0.130 0.000 1.167 364 E HN 0.319 nan 8.360 nan 0.000 0.400 365 I N -1.971 118.633 120.570 0.057 0.000 3.074 365 I HA 0.618 4.788 4.170 -0.001 0.000 0.310 365 I C -0.994 175.125 176.117 0.003 0.000 1.153 365 I CA -1.179 60.151 61.300 0.050 0.000 0.993 365 I CB 2.365 40.410 38.000 0.075 0.000 1.237 365 I HN 0.320 nan 8.210 nan 0.000 0.443 366 R N 3.444 123.931 120.500 -0.022 0.000 2.562 366 R HA 0.730 5.070 4.340 -0.001 0.000 0.298 366 R C -1.734 174.596 176.300 0.050 0.000 0.961 366 R CA -0.716 55.346 56.100 -0.064 0.000 0.881 366 R CB 1.894 32.034 30.300 -0.266 0.000 1.159 366 R HN 0.769 nan 8.270 nan 0.000 0.450 367 I N 3.204 123.826 120.570 0.086 0.000 2.389 367 I HA 0.364 4.534 4.170 -0.001 0.000 0.288 367 I C -0.227 176.000 176.117 0.183 0.000 0.999 367 I CA -0.788 60.578 61.300 0.111 0.000 1.129 367 I CB 2.003 40.038 38.000 0.058 0.000 1.288 367 I HN 0.640 nan 8.210 nan 0.000 0.444 368 A N 5.479 128.421 122.820 0.204 0.000 2.260 368 A HA 0.379 4.699 4.320 -0.001 0.000 0.308 368 A C -0.155 177.471 177.584 0.070 0.000 1.254 368 A CA -0.380 51.777 52.037 0.199 0.000 0.874 368 A CB 0.307 19.482 19.000 0.291 0.000 1.153 368 A HN 0.866 nan 8.150 nan 0.000 0.527 369 C N 3.700 123.018 119.300 0.031 0.000 2.861 369 C HA 0.323 4.783 4.460 -0.001 0.000 0.542 369 C C 1.367 176.303 174.990 -0.090 0.000 1.074 369 C CA -0.108 58.910 59.018 -0.000 0.000 1.232 369 C CB -2.134 25.643 27.740 0.061 0.000 1.433 369 C HN 0.719 nan 8.230 nan 0.000 0.606 370 V N -0.523 119.319 119.914 -0.119 0.000 2.933 370 V HA 0.501 4.621 4.120 -0.001 0.000 0.374 370 V C -0.221 175.821 176.094 -0.086 0.000 1.321 370 V CA 0.141 62.342 62.300 -0.166 0.000 1.290 370 V CB -0.871 30.833 31.823 -0.199 0.000 1.346 370 V HN 0.551 nan 8.190 nan 0.000 0.560 371 L N -0.333 120.845 121.223 -0.075 0.000 2.376 371 L HA 0.617 4.957 4.340 -0.001 0.000 0.258 371 L C 0.021 176.838 176.870 -0.088 0.000 1.013 371 L CA -0.719 54.089 54.840 -0.052 0.000 0.822 371 L CB 2.244 44.296 42.059 -0.011 0.000 1.388 371 L HN 0.116 nan 8.230 nan 0.000 0.413 372 E N 1.926 122.080 120.200 -0.076 0.000 2.442 372 E HA -0.057 4.293 4.350 -0.001 0.000 0.262 372 E C 0.574 177.121 176.600 -0.087 0.000 1.004 372 E CA 0.117 56.462 56.400 -0.091 0.000 0.928 372 E CB 1.182 30.846 29.700 -0.061 0.000 0.937 372 E HN 0.644 nan 8.360 nan 0.000 0.446 373 K N 3.960 124.299 120.400 -0.102 0.000 2.107 373 K HA -0.257 4.062 4.320 -0.001 0.000 0.211 373 K C 0.915 177.470 176.600 -0.075 0.000 1.049 373 K CA 2.167 58.399 56.287 -0.092 0.000 0.927 373 K CB -0.110 32.332 32.500 -0.096 0.000 0.714 373 K HN 0.301 nan 8.250 nan 0.000 0.452 374 D N 1.068 121.430 120.400 -0.063 0.000 2.117 374 D HA -0.061 4.579 4.640 -0.001 0.000 0.198 374 D C 2.096 178.356 176.300 -0.067 0.000 0.982 374 D CA 1.031 54.999 54.000 -0.054 0.000 0.828 374 D CB -0.190 40.587 40.800 -0.038 0.000 0.967 374 D HN 0.211 nan 8.370 nan 0.000 0.464 375 L N -0.042 121.142 121.223 -0.064 0.000 2.056 375 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 375 L C 2.306 179.078 176.870 -0.163 0.000 1.078 375 L CA 0.384 55.172 54.840 -0.087 0.000 0.749 375 L CB -0.315 41.732 42.059 -0.021 0.000 0.901 375 L HN 0.071 nan 8.230 nan 0.000 0.433 376 L N -0.555 120.599 121.223 -0.115 0.000 2.042 376 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 376 L C 2.790 179.583 176.870 -0.128 0.000 1.076 376 L CA 1.838 56.609 54.840 -0.115 0.000 0.749 376 L CB -0.567 41.441 42.059 -0.084 0.000 0.893 376 L HN 0.165 nan 8.230 nan 0.000 0.432 377 S N -1.091 114.545 115.700 -0.107 0.000 2.368 377 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 377 S C 2.255 176.790 174.600 -0.108 0.000 1.030 377 S CA 1.407 59.555 58.200 -0.087 0.000 0.999 377 S CB -0.283 62.881 63.200 -0.060 0.000 0.844 377 S HN 0.456 nan 8.310 nan 0.000 0.459 378 R N 1.471 121.884 120.500 -0.145 0.000 2.075 378 R HA 0.198 4.537 4.340 -0.001 0.000 0.232 378 R C 2.231 178.366 176.300 -0.274 0.000 1.126 378 R CA 1.790 57.786 56.100 -0.173 0.000 0.963 378 R CB -1.240 28.960 30.300 -0.167 0.000 0.858 378 R HN 0.371 nan 8.270 nan 0.000 0.435 379 A N 0.760 123.323 122.820 -0.428 0.000 1.940 379 A HA -0.103 4.217 4.320 -0.001 0.000 0.219 379 A C 2.017 179.499 177.584 -0.170 0.000 1.176 379 A CA 1.533 53.319 52.037 -0.419 0.000 0.631 379 A CB -0.495 18.296 19.000 -0.347 0.000 0.814 379 A HN 0.307 nan 8.150 nan 0.000 0.446 380 I N 0.175 120.653 120.570 -0.153 0.000 2.353 380 I HA -0.135 4.035 4.170 -0.001 0.000 0.248 380 I C 1.631 177.633 176.117 -0.192 0.000 1.119 380 I CA 1.247 62.462 61.300 -0.142 0.000 1.417 380 I CB -1.447 36.471 38.000 -0.137 0.000 1.078 380 I HN 0.246 nan 8.210 nan 0.000 0.421 381 D N 0.991 121.289 120.400 -0.170 0.000 2.117 381 D HA -0.122 4.518 4.640 -0.001 0.000 0.197 381 D C 2.431 178.688 176.300 -0.072 0.000 0.987 381 D CA 1.005 54.906 54.000 -0.166 0.000 0.829 381 D CB -0.130 40.641 40.800 -0.048 0.000 0.961 381 D HN 0.110 nan 8.370 nan 0.000 0.460 382 V N 0.917 120.827 119.914 -0.007 0.000 2.427 382 V HA -0.131 3.989 4.120 -0.001 0.000 0.248 382 V C 1.449 177.631 176.094 0.148 0.000 1.051 382 V CA 0.448 62.822 62.300 0.123 0.000 1.048 382 V CB -0.396 31.519 31.823 0.153 0.000 0.666 382 V HN 0.122 nan 8.190 nan 0.000 0.456 386 G N 0.719 109.441 108.800 -0.131 0.000 2.408 386 G HA2 0.124 4.083 3.960 -0.001 0.000 0.217 386 G HA3 0.124 4.083 3.960 -0.001 0.000 0.217 386 G C 1.745 176.628 174.900 -0.028 0.000 1.150 386 G CA 1.450 46.113 45.100 -0.729 0.000 0.776 386 G HN 0.665 nan 8.290 nan 0.000 0.542 387 L N 1.206 122.498 121.223 0.115 0.000 2.083 387 L HA 0.138 4.478 4.340 -0.001 0.000 0.209 387 L C 1.923 178.786 176.870 -0.013 0.000 1.083 387 L CA 0.952 55.816 54.840 0.041 0.000 0.752 387 L CB -0.556 41.444 42.059 -0.099 0.000 0.899 387 L HN -0.006 nan 8.230 nan 0.000 0.433 391 C N 3.014 122.270 119.300 -0.074 0.000 2.428 391 C HA 0.697 5.156 4.460 -0.001 0.000 0.362 391 C C 0.355 175.282 174.990 -0.105 0.000 1.114 391 C CA 0.233 59.198 59.018 -0.088 0.000 1.473 391 C CB -2.029 25.691 27.740 -0.034 0.000 2.003 391 C HN 0.376 nan 8.230 nan 0.000 0.526 392 S N 0.000 115.604 115.700 -0.160 0.000 2.498 392 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 392 S CA 0.000 58.135 58.200 -0.108 0.000 1.107 392 S CB 0.000 63.146 63.200 -0.090 0.000 0.593 392 S HN 0.000 nan 8.310 nan 0.000 0.517