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 1y9m_1_A DATA FIRST_RESID 20 DATA SEQUENCE FNYDQPYRGQ YHFSPQKNWM NDPNGLLYHN GTYHLFFQYN PGGIEWGNIS DATA SEQUENCE WGHAISEDLT HWEEKPVALL ARGFGSDVTE MYFSGSAVAD VNNTSGFGKD DATA SEQUENCE GKTPLVAMYT SYYPVAQTLP SGQTVQEDQQ SQSIAYSLDD GLTWTTYDAA DATA SEQUENCE NPVIPNPPSP YEAEYQNFRD PFVFWHDESQ KWVVVTSIAE LHKLAIYTSD DATA SEQUENCE NLKDWKLVSE FGPYNAQGGV WECPGLVKLP LDSGNSTKWV ITSGLNPGGP DATA SEQUENCE PGTVGSGTQY FVGEFDGTTF TPDADTVYPG NSTANWMDWG PDFYAAAGYN DATA SEQUENCE GLSLNDHVHI GWMNNWQYGA NIPTYPWRSA MAIPRHMALK TIGSKATLVQ DATA SEQUENCE QPQEAWSSIS NKRPIYSRTF KTLSEGSTNT TTTGETFKVD LSFSAKSKAS DATA SEQUENCE TFAIALRASA NFTEQTLVGY DFAKQQIFLD RTHSGDVSFD ETFASVYHGP DATA SEQUENCE LTPDSTGVVK LSIFVDRSSV EVFGGQGETT LTAQIFPSSD AVHARLASTG DATA SEQUENCE GTTEDVRADI YKIASTW 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 20 F HA 0.000 nan 4.527 nan 0.000 0.279 20 F C 0.000 175.680 175.800 -0.200 0.000 0.967 20 F CA 0.000 57.890 58.000 -0.184 0.000 1.383 20 F CB 0.000 38.757 39.000 -0.406 0.000 1.145 21 N N 3.983 122.183 118.700 -0.833 0.000 2.415 21 N HA 0.185 4.923 4.740 -0.003 0.000 0.246 21 N C -0.691 174.461 175.510 -0.597 0.000 1.078 21 N CA 0.089 52.826 53.050 -0.522 0.000 0.942 21 N CB 0.229 38.452 38.487 -0.440 0.000 1.140 21 N HN 0.585 nan 8.380 nan 0.000 0.501 22 Y N 0.720 120.904 120.300 -0.194 0.000 2.532 22 Y HA 0.148 4.697 4.550 -0.003 0.000 0.283 22 Y C 0.414 176.213 175.900 -0.169 0.000 1.181 22 Y CA -0.378 57.565 58.100 -0.262 0.000 1.256 22 Y CB 0.205 38.261 38.460 -0.674 0.000 1.112 22 Y HN 0.496 nan 8.280 nan 0.000 0.521 23 D N 1.314 121.719 120.400 0.008 0.000 2.563 23 D HA 0.160 4.798 4.640 -0.003 0.000 0.222 23 D C -0.719 175.596 176.300 0.024 0.000 1.145 23 D CA -0.027 53.996 54.000 0.038 0.000 1.001 23 D CB -0.069 40.754 40.800 0.040 0.000 1.049 23 D HN 0.166 nan 8.370 nan 0.000 0.515 24 Q N 1.884 121.716 119.800 0.054 0.000 2.348 24 Q HA 0.542 4.880 4.340 -0.003 0.000 0.271 24 Q C -2.340 173.738 176.000 0.131 0.000 1.067 24 Q CA -2.118 53.758 55.803 0.121 0.000 0.839 24 Q CB 1.558 30.464 28.738 0.279 0.000 1.354 24 Q HN 0.198 nan 8.270 nan 0.000 0.447 25 P HA -0.071 nan 4.420 nan 0.000 0.265 25 P C -0.937 176.413 177.300 0.083 0.000 1.187 25 P CA 0.486 63.524 63.100 -0.103 0.000 0.766 25 P CB 0.201 31.670 31.700 -0.386 0.000 0.820 26 Y N -1.463 119.013 120.300 0.295 0.000 4.897 26 Y HA -0.256 4.293 4.550 -0.003 0.000 0.263 26 Y C 0.918 177.076 175.900 0.430 0.000 0.945 26 Y CA 0.638 58.958 58.100 0.367 0.000 1.858 26 Y CB -2.354 36.389 38.460 0.471 0.000 1.296 26 Y HN 0.355 nan 8.280 nan 0.000 0.490 27 R N 2.781 123.521 120.500 0.399 0.000 2.345 27 R HA 0.494 4.832 4.340 -0.003 0.000 0.331 27 R C 0.796 177.125 176.300 0.049 0.000 1.067 27 R CA 0.599 56.659 56.100 -0.067 0.000 0.962 27 R CB 0.120 30.228 30.300 -0.320 0.000 0.987 27 R HN 0.346 nan 8.270 nan 0.000 0.451 28 G N 3.236 112.057 108.800 0.036 0.000 2.225 28 G HA2 -0.060 3.898 3.960 -0.003 0.000 0.245 28 G HA3 -0.060 3.898 3.960 -0.003 0.000 0.245 28 G C 0.036 175.065 174.900 0.215 0.000 1.249 28 G CA -0.435 44.706 45.100 0.068 0.000 0.919 28 G HN 0.688 nan 8.290 nan 0.000 0.486 29 Q N 1.210 121.132 119.800 0.202 0.000 2.408 29 Q HA 0.031 4.369 4.340 -0.003 0.000 0.205 29 Q C 0.657 176.677 176.000 0.034 0.000 0.919 29 Q CA 0.688 56.643 55.803 0.253 0.000 0.932 29 Q CB 0.384 29.294 28.738 0.288 0.000 1.058 29 Q HN 1.024 nan 8.270 nan 0.000 0.517 30 Y N -2.597 117.690 120.300 -0.020 0.000 2.696 30 Y HA 0.559 5.107 4.550 -0.003 0.000 0.255 30 Y C -0.739 174.999 175.900 -0.269 0.000 1.103 30 Y CA -0.979 56.994 58.100 -0.212 0.000 1.126 30 Y CB -0.216 38.170 38.460 -0.124 0.000 1.197 30 Y HN -0.128 nan 8.280 nan 0.000 0.574 31 H N 0.460 119.435 119.070 -0.159 0.000 2.717 31 H HA 0.351 4.905 4.556 -0.003 0.000 0.366 31 H C -1.550 173.768 175.328 -0.015 0.000 1.132 31 H CA -1.224 54.779 56.048 -0.075 0.000 1.180 31 H CB 1.618 31.304 29.762 -0.126 0.000 1.678 31 H HN 0.257 nan 8.280 nan 0.000 0.537 32 F N 3.052 122.967 119.950 -0.058 0.000 2.504 32 F HA 0.345 4.871 4.527 -0.002 0.000 0.369 32 F C 0.076 175.813 175.800 -0.105 0.000 1.082 32 F CA -0.020 57.871 58.000 -0.182 0.000 1.216 32 F CB 0.288 38.846 39.000 -0.736 0.000 1.108 32 F HN 0.506 nan 8.300 nan 0.000 0.554 33 S N 6.812 121.844 115.700 -1.114 0.000 2.569 33 S HA 0.709 5.177 4.470 -0.003 0.000 0.280 33 S C -3.187 170.532 174.600 -1.469 0.000 1.111 33 S CA -1.666 55.866 58.200 -1.113 0.000 0.887 33 S CB 2.278 65.035 63.200 -0.739 0.000 1.095 33 S HN 0.454 nan 8.310 nan 0.000 0.476 34 P HA 0.236 nan 4.420 nan 0.000 0.274 34 P C 0.254 177.302 177.300 -0.420 0.000 1.231 34 P CA -0.243 62.558 63.100 -0.497 0.000 0.790 34 P CB 0.659 32.289 31.700 -0.116 0.000 0.951 35 Q N 0.963 120.463 119.800 -0.500 0.000 2.077 35 Q HA -0.170 4.168 4.340 -0.003 0.000 0.206 35 Q C 0.795 176.497 176.000 -0.497 0.000 0.989 35 Q CA 1.763 56.984 55.803 -0.970 0.000 0.853 35 Q CB -0.222 27.594 28.738 -1.536 0.000 0.907 35 Q HN 0.585 nan 8.270 nan 0.000 0.418 36 K N -0.977 119.318 120.400 -0.175 0.000 2.469 36 K HA 0.493 4.811 4.320 -0.003 0.000 0.268 36 K C -0.924 175.788 176.600 0.186 0.000 1.027 36 K CA -0.721 55.582 56.287 0.027 0.000 0.893 36 K CB 1.743 34.242 32.500 -0.001 0.000 1.460 36 K HN 0.062 nan 8.250 nan 0.000 0.449 37 N N -1.346 117.444 118.700 0.150 0.000 6.627 37 N HA -0.225 4.513 4.740 -0.003 0.000 0.413 37 N C -1.600 174.066 175.510 0.259 0.000 0.988 37 N CA 0.456 53.610 53.050 0.174 0.000 1.716 37 N CB -0.416 38.120 38.487 0.082 0.000 0.767 37 N HN 0.726 nan 8.380 nan 0.000 0.427 38 W N 2.194 123.529 121.300 0.059 0.000 2.272 38 W HA 0.568 5.226 4.660 -0.004 0.000 0.318 38 W C -0.878 175.787 176.519 0.244 0.000 1.255 38 W CA -0.251 57.166 57.345 0.121 0.000 1.200 38 W CB 0.632 30.141 29.460 0.082 0.000 1.170 38 W HN 0.512 nan 8.180 nan 0.000 0.549 39 M N 8.116 127.344 119.600 -0.620 0.000 2.395 39 M HA 0.197 4.675 4.480 -0.003 0.000 0.307 39 M C -0.375 175.425 176.300 -0.834 0.000 1.091 39 M CA -0.427 54.652 55.300 -0.369 0.000 0.919 39 M CB 1.506 34.045 32.600 -0.100 0.000 1.662 39 M HN 0.637 nan 8.290 nan 0.000 0.440 40 N N 1.932 120.316 118.700 -0.525 0.000 2.761 40 N HA 0.287 5.025 4.740 -0.003 0.000 0.246 40 N C -1.118 173.887 175.510 -0.843 0.000 1.512 40 N CA -0.448 51.920 53.050 -1.137 0.000 0.949 40 N CB -0.377 37.503 38.487 -1.013 0.000 1.818 40 N HN 0.498 nan 8.380 nan 0.000 0.380 41 D N 2.961 122.993 120.400 -0.614 0.000 2.571 41 D HA 0.143 4.781 4.640 -0.003 0.000 0.231 41 D C -2.009 174.151 176.300 -0.233 0.000 1.133 41 D CA -0.255 53.522 54.000 -0.371 0.000 0.862 41 D CB -0.122 40.531 40.800 -0.245 0.000 1.179 41 D HN 0.299 nan 8.370 nan 0.000 0.474 42 P HA 0.099 nan 4.420 nan 0.000 0.271 42 P C -0.804 176.334 177.300 -0.271 0.000 1.218 42 P CA -0.199 62.798 63.100 -0.172 0.000 0.780 42 P CB 0.824 32.429 31.700 -0.157 0.000 0.901 43 N N -0.264 118.219 118.700 -0.362 0.000 2.357 43 N HA 0.487 5.226 4.740 -0.003 0.000 0.284 43 N C -0.083 175.173 175.510 -0.422 0.000 1.236 43 N CA -0.714 51.958 53.050 -0.630 0.000 0.774 43 N CB 1.544 39.110 38.487 -1.535 0.000 1.534 43 N HN 0.569 nan 8.380 nan 0.000 0.478 44 G N 0.882 109.486 108.800 -0.327 0.000 2.305 44 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.287 44 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.287 44 G C -0.275 174.766 174.900 0.235 0.000 1.036 44 G CA -0.005 45.110 45.100 0.024 0.000 0.887 44 G HN 0.369 nan 8.290 nan 0.000 0.505 45 L N -0.341 120.873 121.223 -0.016 0.000 2.456 45 L HA 0.525 4.863 4.340 -0.003 0.000 0.277 45 L C 0.264 177.136 176.870 0.004 0.000 1.124 45 L CA -0.494 54.134 54.840 -0.353 0.000 0.880 45 L CB 0.832 42.319 42.059 -0.953 0.000 1.192 45 L HN 0.234 nan 8.230 nan 0.000 0.463 46 L N 5.354 126.837 121.223 0.433 0.000 2.505 46 L HA 0.390 4.728 4.340 -0.003 0.000 0.266 46 L C -1.325 176.041 176.870 0.827 0.000 0.954 46 L CA -0.370 54.862 54.840 0.653 0.000 0.852 46 L CB 1.768 44.139 42.059 0.520 0.000 1.282 46 L HN 0.311 nan 8.230 nan 0.000 0.403 47 Y N 4.634 125.256 120.300 0.538 0.000 2.335 47 Y HA 0.655 5.203 4.550 -0.004 0.000 0.339 47 Y C -1.188 174.854 175.900 0.236 0.000 0.987 47 Y CA -0.030 58.162 58.100 0.153 0.000 1.140 47 Y CB 0.624 38.962 38.460 -0.203 0.000 1.173 47 Y HN 0.829 nan 8.280 nan 0.000 0.486 48 H N 5.041 123.823 119.070 -0.479 0.000 3.042 48 H HA 0.218 4.773 4.556 -0.002 0.000 0.345 48 H C -0.386 174.700 175.328 -0.404 0.000 1.052 48 H CA -0.714 55.156 56.048 -0.296 0.000 1.311 48 H CB 0.762 30.555 29.762 0.051 0.000 1.810 48 H HN 0.689 nan 8.280 nan 0.000 0.505 49 N N 3.466 121.637 118.700 -0.882 0.000 2.725 49 N HA -0.178 4.560 4.740 -0.003 0.000 0.251 49 N C 0.888 176.122 175.510 -0.460 0.000 1.031 49 N CA 2.184 54.877 53.050 -0.594 0.000 0.720 49 N CB -1.230 36.977 38.487 -0.466 0.000 0.930 49 N HN 1.376 nan 8.380 nan 0.000 0.543 50 G N -1.869 106.548 108.800 -0.638 0.000 2.155 50 G HA2 -0.281 3.677 3.960 -0.003 0.000 0.257 50 G HA3 -0.281 3.677 3.960 -0.003 0.000 0.257 50 G C 0.144 174.814 174.900 -0.382 0.000 0.983 50 G CA 0.788 45.650 45.100 -0.398 0.000 0.676 50 G HN 0.793 nan 8.290 nan 0.000 0.528 51 T N 0.160 114.356 114.554 -0.597 0.000 2.812 51 T HA 0.537 4.886 4.350 -0.003 0.000 0.282 51 T C -0.751 173.750 174.700 -0.332 0.000 0.990 51 T CA -0.393 61.495 62.100 -0.354 0.000 0.960 51 T CB 1.231 69.909 68.868 -0.316 0.000 0.948 51 T HN 0.185 nan 8.240 nan 0.000 0.438 52 Y N 2.519 122.827 120.300 0.014 0.000 2.383 52 Y HA 0.293 4.842 4.550 -0.003 0.000 0.344 52 Y C 0.934 176.974 175.900 0.234 0.000 0.986 52 Y CA -0.515 57.724 58.100 0.231 0.000 1.175 52 Y CB 0.171 38.680 38.460 0.081 0.000 1.152 52 Y HN 0.655 nan 8.280 nan 0.000 0.511 53 H N 3.033 122.477 119.070 0.623 0.000 2.548 53 H HA 0.384 4.939 4.556 -0.002 0.000 0.331 53 H C -0.921 174.600 175.328 0.322 0.000 1.093 53 H CA -0.521 55.767 56.048 0.400 0.000 1.367 53 H CB 1.079 31.047 29.762 0.342 0.000 1.455 53 H HN 0.465 nan 8.280 nan 0.000 0.519 54 L N 4.980 126.279 121.223 0.126 0.000 2.388 54 L HA 0.387 4.725 4.340 -0.003 0.000 0.267 54 L C -1.720 175.008 176.870 -0.237 0.000 0.995 54 L CA -0.288 54.467 54.840 -0.142 0.000 0.864 54 L CB -0.305 41.358 42.059 -0.661 0.000 1.216 54 L HN 0.412 nan 8.230 nan 0.000 0.430 55 F N 4.893 124.794 119.950 -0.082 0.000 2.411 55 F HA 0.779 5.305 4.527 -0.002 0.000 0.324 55 F C -0.069 175.517 175.800 -0.357 0.000 1.086 55 F CA -0.254 57.538 58.000 -0.346 0.000 1.028 55 F CB 1.284 39.948 39.000 -0.560 0.000 1.284 55 F HN 0.421 nan 8.300 nan 0.000 0.501 56 F N -1.758 118.026 119.950 -0.276 0.000 2.688 56 F HA 0.368 4.893 4.527 -0.003 0.000 0.308 56 F C -1.290 174.385 175.800 -0.207 0.000 1.117 56 F CA -1.568 56.254 58.000 -0.297 0.000 0.976 56 F CB 0.693 39.589 39.000 -0.173 0.000 1.291 56 F HN 0.216 nan 8.300 nan 0.000 0.439 57 Q N 2.203 121.984 119.800 -0.031 0.000 2.300 57 Q HA 0.149 4.487 4.340 -0.003 0.000 0.280 57 Q C -1.536 174.653 176.000 0.316 0.000 1.033 57 Q CA 0.593 56.441 55.803 0.076 0.000 0.903 57 Q CB 1.068 29.833 28.738 0.045 0.000 1.195 57 Q HN 0.795 nan 8.270 nan 0.000 0.386 58 Y N 2.353 122.730 120.300 0.129 0.000 2.482 58 Y HA 0.218 4.766 4.550 -0.003 0.000 0.334 58 Y C -1.241 174.739 175.900 0.133 0.000 1.091 58 Y CA -1.320 56.901 58.100 0.201 0.000 1.027 58 Y CB 1.447 39.994 38.460 0.146 0.000 1.306 58 Y HN 0.536 nan 8.280 nan 0.000 0.446 59 N N 7.391 125.856 118.700 -0.391 0.000 2.527 59 N HA 0.389 5.128 4.740 -0.003 0.000 0.236 59 N C -2.471 172.585 175.510 -0.756 0.000 0.999 59 N CA -2.634 50.169 53.050 -0.412 0.000 0.935 59 N CB 1.685 40.098 38.487 -0.124 0.000 1.132 59 N HN 0.377 nan 8.380 nan 0.000 0.511 60 P HA 0.112 nan 4.420 nan 0.000 0.234 60 P C 0.622 177.909 177.300 -0.022 0.000 1.167 60 P CA 0.626 63.442 63.100 -0.473 0.000 0.763 60 P CB 0.294 31.634 31.700 -0.600 0.000 0.835 61 G N -1.665 107.235 108.800 0.166 0.000 3.519 61 G HA2 0.508 4.466 3.960 -0.003 0.000 0.269 61 G HA3 0.508 4.466 3.960 -0.003 0.000 0.269 61 G C 0.317 175.286 174.900 0.115 0.000 1.028 61 G CA 0.152 45.425 45.100 0.288 0.000 0.809 61 G HN 0.436 nan 8.290 nan 0.000 0.521 62 G N -0.753 108.081 108.800 0.057 0.000 2.356 62 G HA2 0.318 4.276 3.960 -0.003 0.000 0.294 62 G HA3 0.318 4.276 3.960 -0.003 0.000 0.294 62 G C -0.317 174.639 174.900 0.093 0.000 1.423 62 G CA -0.670 44.468 45.100 0.064 0.000 0.806 62 G HN 0.116 nan 8.290 nan 0.000 0.527 63 I N -0.256 120.384 120.570 0.117 0.000 3.793 63 I HA 0.243 4.412 4.170 -0.003 0.000 0.315 63 I C 0.041 176.316 176.117 0.264 0.000 1.275 63 I CA 0.368 61.776 61.300 0.181 0.000 1.214 63 I CB -0.042 38.030 38.000 0.120 0.000 1.018 63 I HN 0.301 nan 8.210 nan 0.000 0.439 64 E N -0.548 119.721 120.200 0.115 0.000 2.299 64 E HA 0.092 4.441 4.350 -0.003 0.000 0.260 64 E C -1.485 174.900 176.600 -0.358 0.000 0.944 64 E CA -0.803 55.523 56.400 -0.122 0.000 0.815 64 E CB 0.780 30.421 29.700 -0.098 0.000 1.252 64 E HN 0.110 nan 8.360 nan 0.000 0.418 65 W N 0.850 121.491 121.300 -1.098 0.000 2.257 65 W HA 0.324 4.982 4.660 -0.004 0.000 0.337 65 W C 0.437 176.785 176.519 -0.285 0.000 1.321 65 W CA 1.787 58.607 57.345 -0.875 0.000 1.267 65 W CB 0.272 29.317 29.460 -0.692 0.000 1.187 65 W HN 0.572 nan 8.180 nan 0.000 0.565 66 G N 3.722 111.979 108.800 -0.905 0.000 2.352 66 G HA2 -0.021 3.937 3.960 -0.003 0.000 0.302 66 G HA3 -0.021 3.937 3.960 -0.003 0.000 0.302 66 G C -0.388 174.222 174.900 -0.483 0.000 1.370 66 G CA -0.565 44.107 45.100 -0.715 0.000 0.918 66 G HN 0.710 nan 8.290 nan 0.000 0.610 67 N N -0.520 118.039 118.700 -0.235 0.000 2.708 67 N HA -0.157 4.581 4.740 -0.003 0.000 0.251 67 N C 0.629 176.098 175.510 -0.069 0.000 1.017 67 N CA 1.192 54.231 53.050 -0.018 0.000 0.742 67 N CB -0.659 37.953 38.487 0.209 0.000 0.943 67 N HN 0.598 nan 8.380 nan 0.000 0.539 68 I N 0.790 121.271 120.570 -0.149 0.000 2.587 68 I HA -0.010 4.159 4.170 -0.003 0.000 0.284 68 I C 1.048 177.254 176.117 0.149 0.000 1.134 68 I CA 0.822 62.082 61.300 -0.066 0.000 1.410 68 I CB 0.239 38.196 38.000 -0.072 0.000 1.392 68 I HN 0.008 nan 8.210 nan 0.000 0.545 69 S N 5.797 121.591 115.700 0.156 0.000 2.671 69 S HA 0.504 4.972 4.470 -0.003 0.000 0.299 69 S C -1.167 173.606 174.600 0.289 0.000 1.116 69 S CA -0.612 57.717 58.200 0.215 0.000 0.912 69 S CB 1.695 64.936 63.200 0.068 0.000 1.130 69 S HN 0.429 nan 8.310 nan 0.000 0.501 70 W N 2.321 123.507 121.300 -0.189 0.000 2.311 70 W HA 0.574 5.232 4.660 -0.003 0.000 0.317 70 W C 0.816 177.119 176.519 -0.360 0.000 1.065 70 W CA -0.944 56.218 57.345 -0.305 0.000 1.364 70 W CB 0.054 29.218 29.460 -0.492 0.000 1.233 70 W HN 0.826 nan 8.180 nan 0.000 0.409 71 G N 1.698 110.181 108.800 -0.528 0.000 2.634 71 G HA2 0.258 4.216 3.960 -0.003 0.000 0.255 71 G HA3 0.258 4.216 3.960 -0.003 0.000 0.255 71 G C -1.255 173.046 174.900 -0.998 0.000 1.205 71 G CA -0.299 44.148 45.100 -1.088 0.000 0.884 71 G HN 0.607 nan 8.290 nan 0.000 0.549 72 H N -0.939 117.718 119.070 -0.689 0.000 2.947 72 H HA 0.546 5.101 4.556 -0.002 0.000 0.354 72 H C -0.880 174.374 175.328 -0.123 0.000 1.085 72 H CA -0.568 55.242 56.048 -0.397 0.000 1.253 72 H CB 1.721 31.390 29.762 -0.154 0.000 1.757 72 H HN 0.790 nan 8.280 nan 0.000 0.523 73 A N 4.940 127.623 122.820 -0.228 0.000 2.515 73 A HA 0.683 5.001 4.320 -0.003 0.000 0.296 73 A C -1.067 176.424 177.584 -0.155 0.000 1.094 73 A CA -0.716 51.173 52.037 -0.246 0.000 0.718 73 A CB 1.527 20.274 19.000 -0.423 0.000 1.307 73 A HN 0.661 nan 8.150 nan 0.000 0.408 74 I N -1.294 119.302 120.570 0.044 0.000 2.828 74 I HA 0.909 5.077 4.170 -0.003 0.000 0.302 74 I C -0.355 175.836 176.117 0.125 0.000 1.101 74 I CA -0.667 60.692 61.300 0.098 0.000 1.031 74 I CB 2.468 40.403 38.000 -0.109 0.000 1.231 74 I HN 0.802 nan 8.210 nan 0.000 0.427 75 S N 1.784 117.425 115.700 -0.098 0.000 2.596 75 S HA 0.449 4.917 4.470 -0.003 0.000 0.270 75 S C -0.213 174.287 174.600 -0.167 0.000 1.155 75 S CA -0.772 57.203 58.200 -0.376 0.000 0.827 75 S CB 2.049 64.513 63.200 -1.227 0.000 1.130 75 S HN 0.773 nan 8.310 nan 0.000 0.467 76 E N 0.389 120.504 120.200 -0.141 0.000 2.474 76 E HA 0.084 4.432 4.350 -0.003 0.000 0.195 76 E C -0.328 176.324 176.600 0.087 0.000 1.039 76 E CA 0.532 56.938 56.400 0.009 0.000 0.881 76 E CB 0.095 29.768 29.700 -0.044 0.000 0.970 76 E HN 0.804 nan 8.360 nan 0.000 0.486 77 D N -0.598 119.698 120.400 -0.174 0.000 2.567 77 D HA 0.030 4.668 4.640 -0.003 0.000 0.268 77 D C 0.740 176.648 176.300 -0.653 0.000 1.448 77 D CA -0.361 53.452 54.000 -0.312 0.000 0.811 77 D CB -0.563 40.101 40.800 -0.226 0.000 1.192 77 D HN 0.043 nan 8.370 nan 0.000 0.488 78 L N -0.215 120.436 121.223 -0.954 0.000 4.429 78 L HA -0.270 4.068 4.340 -0.003 0.000 0.422 78 L C 0.503 176.861 176.870 -0.853 0.000 1.149 78 L CA 1.398 55.643 54.840 -0.992 0.000 0.972 78 L CB -2.157 39.411 42.059 -0.820 0.000 2.059 78 L HN 0.264 nan 8.230 nan 0.000 0.870 79 T N -4.474 109.464 114.554 -1.027 0.000 3.358 79 T HA 0.140 4.489 4.350 -0.003 0.000 0.263 79 T C 0.249 174.346 174.700 -1.005 0.000 0.998 79 T CA 0.124 61.702 62.100 -0.870 0.000 1.130 79 T CB 0.216 68.621 68.868 -0.772 0.000 1.165 79 T HN 0.248 nan 8.240 nan 0.000 0.426 80 H N 0.557 119.194 119.070 -0.723 0.000 2.818 80 H HA 0.368 4.922 4.556 -0.003 0.000 0.269 80 H C -1.165 173.862 175.328 -0.501 0.000 1.277 80 H CA -0.755 54.980 56.048 -0.521 0.000 1.290 80 H CB -0.227 29.337 29.762 -0.330 0.000 1.479 80 H HN 0.322 nan 8.280 nan 0.000 0.507 81 W N 1.745 122.924 121.300 -0.202 0.000 2.261 81 W HA 0.250 4.908 4.660 -0.004 0.000 0.323 81 W C 0.496 177.097 176.519 0.137 0.000 1.243 81 W CA -0.570 56.754 57.345 -0.035 0.000 1.210 81 W CB 0.831 30.334 29.460 0.072 0.000 1.149 81 W HN 0.470 nan 8.180 nan 0.000 0.562 82 E N 2.794 123.213 120.200 0.365 0.000 2.185 82 E HA 0.104 4.452 4.350 -0.003 0.000 0.261 82 E C -0.869 175.889 176.600 0.263 0.000 0.879 82 E CA -0.611 55.969 56.400 0.301 0.000 0.756 82 E CB 1.058 30.852 29.700 0.156 0.000 1.152 82 E HN 0.531 nan 8.360 nan 0.000 0.416 83 E N 3.957 124.353 120.200 0.328 0.000 2.384 83 E HA 0.051 4.399 4.350 -0.003 0.000 0.266 83 E C -0.591 176.064 176.600 0.092 0.000 1.012 83 E CA -0.110 56.431 56.400 0.236 0.000 0.901 83 E CB 0.621 30.474 29.700 0.255 0.000 0.967 83 E HN 0.255 nan 8.360 nan 0.000 0.435 84 K N 3.555 123.958 120.400 0.005 0.000 2.316 84 K HA 0.492 4.811 4.320 -0.003 0.000 0.234 84 K C -2.423 174.207 176.600 0.050 0.000 1.054 84 K CA -2.155 54.127 56.287 -0.008 0.000 0.879 84 K CB 0.408 32.820 32.500 -0.147 0.000 1.252 84 K HN 0.411 nan 8.250 nan 0.000 0.471 85 P HA 0.062 nan 4.420 nan 0.000 0.269 85 P C -0.391 176.969 177.300 0.099 0.000 1.215 85 P CA -0.404 62.747 63.100 0.086 0.000 0.780 85 P CB 0.349 32.105 31.700 0.093 0.000 0.898 86 V N 1.876 121.821 119.914 0.051 0.000 2.644 86 V HA -0.029 4.090 4.120 -0.003 0.000 0.305 86 V C 1.520 177.642 176.094 0.047 0.000 1.053 86 V CA 1.361 63.673 62.300 0.022 0.000 1.186 86 V CB 0.019 31.848 31.823 0.009 0.000 0.895 86 V HN 0.782 nan 8.190 nan 0.000 0.490 87 A N 5.642 128.486 122.820 0.039 0.000 1.887 87 A HA 0.347 4.665 4.320 -0.003 0.000 0.212 87 A C 0.743 178.167 177.584 -0.266 0.000 1.198 87 A CA 0.597 52.647 52.037 0.022 0.000 0.628 87 A CB 0.053 19.066 19.000 0.021 0.000 0.847 87 A HN 0.640 nan 8.150 nan 0.000 0.449 88 L N 0.965 121.918 121.223 -0.449 0.000 2.388 88 L HA 0.425 4.763 4.340 -0.003 0.000 0.267 88 L C -1.129 175.428 176.870 -0.521 0.000 0.995 88 L CA -0.610 53.737 54.840 -0.821 0.000 0.864 88 L CB 1.803 42.894 42.059 -1.613 0.000 1.216 88 L HN 0.254 nan 8.230 nan 0.000 0.430 89 L N 3.831 124.867 121.223 -0.311 0.000 2.265 89 L HA 0.587 4.926 4.340 -0.003 0.000 0.288 89 L C 0.769 177.712 176.870 0.122 0.000 1.058 89 L CA -0.055 54.721 54.840 -0.106 0.000 0.809 89 L CB 1.185 43.182 42.059 -0.103 0.000 1.179 89 L HN 0.678 nan 8.230 nan 0.000 0.429 90 A N 5.515 128.451 122.820 0.194 0.000 2.600 90 A HA -0.090 4.229 4.320 -0.003 0.000 0.253 90 A C 0.661 178.380 177.584 0.225 0.000 0.997 90 A CA 0.324 52.504 52.037 0.239 0.000 0.820 90 A CB -0.402 18.703 19.000 0.176 0.000 0.888 90 A HN 0.823 nan 8.150 nan 0.000 0.508 91 R N 2.213 122.808 120.500 0.158 0.000 2.421 91 R HA 0.335 4.673 4.340 -0.003 0.000 0.305 91 R C 1.343 177.697 176.300 0.090 0.000 1.039 91 R CA 1.323 57.495 56.100 0.120 0.000 1.003 91 R CB -0.101 30.238 30.300 0.065 0.000 0.959 91 R HN 1.776 nan 8.270 nan 0.000 0.427 92 G N 3.932 112.795 108.800 0.105 0.000 2.141 92 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.242 92 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.242 92 G C -0.017 174.941 174.900 0.096 0.000 0.982 92 G CA -0.093 45.053 45.100 0.076 0.000 0.662 92 G HN 0.639 nan 8.290 nan 0.000 0.527 93 F N 1.303 121.263 119.950 0.017 0.000 2.623 93 F HA 0.376 4.902 4.527 -0.003 0.000 0.383 93 F C 1.591 177.398 175.800 0.012 0.000 1.077 93 F CA 1.884 59.892 58.000 0.013 0.000 1.268 93 F CB 0.592 39.607 39.000 0.025 0.000 1.053 93 F HN 1.160 nan 8.300 nan 0.000 0.571 94 G N 2.760 111.095 108.800 -0.776 0.000 2.234 94 G HA2 -0.244 3.715 3.960 -0.003 0.000 0.235 94 G HA3 -0.244 3.715 3.960 -0.003 0.000 0.235 94 G C 0.323 175.072 174.900 -0.252 0.000 0.997 94 G CA 0.646 45.431 45.100 -0.524 0.000 0.623 94 G HN 1.390 nan 8.290 nan 0.000 0.514 95 S N -0.671 114.928 115.700 -0.167 0.000 4.163 95 S HA 0.627 5.095 4.470 -0.003 0.000 0.246 95 S C -1.084 173.473 174.600 -0.070 0.000 1.069 95 S CA 0.167 58.310 58.200 -0.095 0.000 1.544 95 S CB 1.091 64.259 63.200 -0.053 0.000 1.166 95 S HN 0.048 nan 8.310 nan 0.000 0.747 96 D N 1.796 122.173 120.400 -0.037 0.000 2.317 96 D HA 0.411 5.050 4.640 -0.003 0.000 0.252 96 D C -0.456 175.838 176.300 -0.010 0.000 1.174 96 D CA -0.028 53.958 54.000 -0.022 0.000 0.866 96 D CB 1.327 42.117 40.800 -0.016 0.000 1.127 96 D HN 0.333 nan 8.370 nan 0.000 0.467 97 V N 2.778 122.691 119.914 -0.001 0.000 2.555 97 V HA 0.067 4.185 4.120 -0.003 0.000 0.286 97 V C 1.679 177.761 176.094 -0.020 0.000 1.044 97 V CA 0.260 62.566 62.300 0.010 0.000 1.026 97 V CB 1.159 33.004 31.823 0.036 0.000 0.981 97 V HN 0.723 nan 8.190 nan 0.000 0.480 98 T N 0.501 115.038 114.554 -0.029 0.000 3.001 98 T HA 0.264 4.612 4.350 -0.003 0.000 0.251 98 T C 0.309 174.961 174.700 -0.080 0.000 1.040 98 T CA 0.001 62.077 62.100 -0.041 0.000 0.985 98 T CB 0.307 69.169 68.868 -0.010 0.000 1.011 98 T HN 0.644 nan 8.240 nan 0.000 0.509 99 E N 0.399 120.503 120.200 -0.159 0.000 2.343 99 E HA 0.468 4.816 4.350 -0.003 0.000 0.288 99 E C -1.487 174.833 176.600 -0.467 0.000 0.907 99 E CA -0.550 55.633 56.400 -0.362 0.000 0.792 99 E CB 1.685 31.180 29.700 -0.342 0.000 1.275 99 E HN 0.255 nan 8.360 nan 0.000 0.402 100 M N 2.753 122.071 119.600 -0.469 0.000 2.528 100 M HA 0.374 4.853 4.480 -0.003 0.000 0.318 100 M C -1.097 174.914 176.300 -0.481 0.000 1.195 100 M CA -0.824 54.294 55.300 -0.303 0.000 1.000 100 M CB 1.298 33.973 32.600 0.125 0.000 1.615 100 M HN 0.479 nan 8.290 nan 0.000 0.469 101 Y N 1.558 121.913 120.300 0.090 0.000 2.841 101 Y HA 0.330 4.877 4.550 -0.004 0.000 0.329 101 Y C -0.355 175.814 175.900 0.448 0.000 1.062 101 Y CA -0.462 57.651 58.100 0.021 0.000 1.281 101 Y CB -0.204 38.028 38.460 -0.380 0.000 1.147 101 Y HN 0.397 nan 8.280 nan 0.000 0.521 102 F N -0.052 120.051 119.950 0.255 0.000 2.239 102 F HA 0.262 4.787 4.527 -0.003 0.000 0.288 102 F C 1.247 177.290 175.800 0.405 0.000 1.225 102 F CA -1.159 57.010 58.000 0.280 0.000 1.162 102 F CB 0.280 39.388 39.000 0.180 0.000 1.484 102 F HN 0.125 nan 8.300 nan 0.000 0.512 103 S N -0.729 115.213 115.700 0.405 0.000 2.584 103 S HA 0.571 5.039 4.470 -0.003 0.000 0.270 103 S C 0.402 175.216 174.600 0.357 0.000 1.346 103 S CA 0.271 58.617 58.200 0.242 0.000 1.018 103 S CB 0.839 64.069 63.200 0.050 0.000 0.899 103 S HN 0.952 nan 8.310 nan 0.000 0.542 104 G N 0.312 109.292 108.800 0.301 0.000 2.348 104 G HA2 0.546 4.504 3.960 -0.003 0.000 0.296 104 G HA3 0.546 4.504 3.960 -0.003 0.000 0.296 104 G C -1.275 173.781 174.900 0.260 0.000 1.258 104 G CA -0.116 45.209 45.100 0.374 0.000 0.868 104 G HN 1.037 nan 8.290 nan 0.000 0.488 105 S N -1.571 114.319 115.700 0.316 0.000 2.720 105 S HA 0.973 5.441 4.470 -0.003 0.000 0.287 105 S C -0.514 174.193 174.600 0.179 0.000 1.168 105 S CA -0.023 58.294 58.200 0.195 0.000 0.832 105 S CB 1.679 64.947 63.200 0.113 0.000 1.166 105 S HN 2.462 nan 8.310 nan 0.000 0.493 106 A N 0.089 122.989 122.820 0.133 0.000 2.549 106 A HA 0.858 5.176 4.320 -0.003 0.000 0.297 106 A C -0.718 176.969 177.584 0.172 0.000 1.061 106 A CA -0.486 51.632 52.037 0.133 0.000 0.690 106 A CB 1.345 20.430 19.000 0.143 0.000 1.287 106 A HN 2.068 nan 8.150 nan 0.000 0.402 107 V N -1.855 118.150 119.914 0.152 0.000 3.078 107 V HA 0.959 5.077 4.120 -0.003 0.000 0.311 107 V C 0.059 176.225 176.094 0.121 0.000 1.138 107 V CA -0.525 61.893 62.300 0.196 0.000 1.007 107 V CB 1.506 33.473 31.823 0.241 0.000 1.045 107 V HN 2.074 nan 8.190 nan 0.000 0.432 108 A N 1.160 124.045 122.820 0.110 0.000 2.260 108 A HA 0.579 4.897 4.320 -0.003 0.000 0.312 108 A C -0.097 177.535 177.584 0.080 0.000 1.321 108 A CA -0.102 51.891 52.037 -0.072 0.000 0.928 108 A CB 0.077 18.854 19.000 -0.372 0.000 1.158 108 A HN 0.974 nan 8.150 nan 0.000 0.542 109 D N 3.294 123.723 120.400 0.049 0.000 2.713 109 D HA 0.152 4.791 4.640 -0.003 0.000 0.229 109 D C 1.398 177.715 176.300 0.028 0.000 1.136 109 D CA 0.266 54.337 54.000 0.118 0.000 1.010 109 D CB 0.062 40.870 40.800 0.014 0.000 1.084 109 D HN 0.324 nan 8.370 nan 0.000 0.495 110 V N 0.504 120.420 119.914 0.003 0.000 2.594 110 V HA -0.113 4.005 4.120 -0.003 0.000 0.253 110 V C 1.237 177.299 176.094 -0.054 0.000 1.069 110 V CA 1.154 63.441 62.300 -0.021 0.000 1.082 110 V CB -0.459 31.361 31.823 -0.004 0.000 0.680 110 V HN 0.270 nan 8.190 nan 0.000 0.469 111 N N 0.981 119.623 118.700 -0.097 0.000 2.322 111 N HA 0.056 4.794 4.740 -0.003 0.000 0.194 111 N C 0.755 176.223 175.510 -0.070 0.000 1.126 111 N CA 0.724 53.713 53.050 -0.102 0.000 0.845 111 N CB -0.552 37.832 38.487 -0.172 0.000 0.976 111 N HN 0.695 nan 8.380 nan 0.000 0.475 112 N N 0.525 119.193 118.700 -0.054 0.000 2.727 112 N HA -0.191 4.547 4.740 -0.003 0.000 0.249 112 N C 0.784 176.237 175.510 -0.094 0.000 1.048 112 N CA 0.980 53.983 53.050 -0.078 0.000 0.714 112 N CB -1.362 37.075 38.487 -0.083 0.000 0.959 112 N HN 0.424 nan 8.380 nan 0.000 0.544 113 T N -4.661 109.872 114.554 -0.034 0.000 2.929 113 T HA -0.130 4.219 4.350 -0.003 0.000 0.271 113 T C 1.768 176.384 174.700 -0.141 0.000 1.085 113 T CA 1.528 63.624 62.100 -0.007 0.000 1.125 113 T CB -0.412 68.591 68.868 0.225 0.000 0.874 113 T HN 0.444 nan 8.240 nan 0.000 0.494 114 S N 0.316 115.849 115.700 -0.278 0.000 2.501 114 S HA 0.417 4.885 4.470 -0.003 0.000 0.220 114 S C 2.073 176.171 174.600 -0.837 0.000 0.997 114 S CA 0.509 58.342 58.200 -0.611 0.000 0.919 114 S CB -0.618 62.148 63.200 -0.724 0.000 0.778 114 S HN 1.240 nan 8.310 nan 0.000 0.523 115 G N 0.605 109.094 108.800 -0.519 0.000 2.184 115 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.264 115 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.264 115 G C 0.305 174.962 174.900 -0.404 0.000 0.975 115 G CA 0.397 45.249 45.100 -0.413 0.000 0.642 115 G HN 0.523 nan 8.290 nan 0.000 0.536 116 F N 1.723 121.446 119.950 -0.379 0.000 2.661 116 F HA 0.317 4.848 4.527 0.006 0.000 0.298 116 F C 2.250 177.805 175.800 -0.410 0.000 1.137 116 F CA -0.215 57.421 58.000 -0.606 0.000 1.454 116 F CB -0.641 37.784 39.000 -0.958 0.000 1.103 116 F HN 0.315 nan 8.300 nan 0.000 0.577 117 G N 0.863 109.600 108.800 -0.104 0.000 2.491 117 G HA2 0.269 4.227 3.960 -0.003 0.000 0.238 117 G HA3 0.269 4.227 3.960 -0.003 0.000 0.238 117 G C -0.507 174.359 174.900 -0.057 0.000 1.277 117 G CA -0.221 44.837 45.100 -0.068 0.000 0.851 117 G HN 0.203 nan 8.290 nan 0.000 0.573 118 K N 0.992 121.372 120.400 -0.033 0.000 2.553 118 K HA 0.295 4.613 4.320 -0.003 0.000 0.250 118 K C -0.910 175.682 176.600 -0.013 0.000 0.953 118 K CA -0.724 55.551 56.287 -0.020 0.000 0.800 118 K CB 1.278 33.775 32.500 -0.005 0.000 1.243 118 K HN 0.476 nan 8.250 nan 0.000 0.435 119 D N 3.097 123.489 120.400 -0.012 0.000 2.699 119 D HA -0.196 4.442 4.640 -0.003 0.000 0.239 119 D C 0.709 177.003 176.300 -0.010 0.000 1.136 119 D CA 1.841 55.835 54.000 -0.009 0.000 0.668 119 D CB -1.257 39.540 40.800 -0.005 0.000 1.060 119 D HN 1.065 nan 8.370 nan 0.000 0.429 120 G N -0.567 108.224 108.800 -0.014 0.000 2.284 120 G HA2 -0.417 3.541 3.960 -0.003 0.000 0.261 120 G HA3 -0.417 3.541 3.960 -0.003 0.000 0.261 120 G C 0.470 175.364 174.900 -0.010 0.000 0.997 120 G CA 0.918 46.010 45.100 -0.013 0.000 0.621 120 G HN 0.617 nan 8.290 nan 0.000 0.534 121 K N 2.411 122.805 120.400 -0.010 0.000 2.349 121 K HA 0.527 4.845 4.320 -0.003 0.000 0.288 121 K C 0.954 177.546 176.600 -0.014 0.000 1.058 121 K CA 0.444 56.727 56.287 -0.006 0.000 0.953 121 K CB 0.405 32.901 32.500 -0.007 0.000 0.997 121 K HN 0.412 nan 8.250 nan 0.000 0.477 122 T N 2.943 117.493 114.554 -0.008 0.000 2.909 122 T HA 0.521 4.870 4.350 -0.003 0.000 0.289 122 T C -2.291 172.390 174.700 -0.031 0.000 1.005 122 T CA -1.779 60.309 62.100 -0.020 0.000 1.084 122 T CB 1.189 70.049 68.868 -0.013 0.000 0.975 122 T HN 0.447 nan 8.240 nan 0.000 0.509 123 P HA 0.431 nan 4.420 nan 0.000 0.284 123 P C -0.647 176.617 177.300 -0.061 0.000 1.258 123 P CA -0.855 62.226 63.100 -0.031 0.000 0.824 123 P CB 0.979 32.701 31.700 0.036 0.000 1.038 124 L N 1.800 122.950 121.223 -0.121 0.000 2.326 124 L HA 0.451 4.789 4.340 -0.003 0.000 0.278 124 L C 0.061 176.978 176.870 0.079 0.000 1.092 124 L CA -0.923 53.876 54.840 -0.069 0.000 0.810 124 L CB 1.176 43.159 42.059 -0.126 0.000 1.153 124 L HN 0.097 nan 8.230 nan 0.000 0.439 125 V N 2.189 122.207 119.914 0.174 0.000 2.487 125 V HA 0.590 4.708 4.120 -0.003 0.000 0.298 125 V C 0.136 176.341 176.094 0.186 0.000 1.028 125 V CA -0.608 61.828 62.300 0.227 0.000 0.860 125 V CB 1.649 33.516 31.823 0.074 0.000 0.991 125 V HN 0.876 nan 8.190 nan 0.000 0.427 126 A N 5.827 128.734 122.820 0.145 0.000 2.301 126 A HA 0.895 5.213 4.320 -0.003 0.000 0.312 126 A C -0.497 177.051 177.584 -0.059 0.000 1.182 126 A CA -0.503 51.443 52.037 -0.152 0.000 0.826 126 A CB 1.105 19.602 19.000 -0.839 0.000 1.134 126 A HN 0.898 nan 8.150 nan 0.000 0.501 127 M N 3.071 122.656 119.600 -0.025 0.000 2.321 127 M HA 0.684 5.162 4.480 -0.003 0.000 0.315 127 M C -1.639 174.656 176.300 -0.008 0.000 1.052 127 M CA -0.553 54.675 55.300 -0.120 0.000 0.936 127 M CB 1.363 33.881 32.600 -0.138 0.000 1.639 127 M HN 0.814 nan 8.290 nan 0.000 0.433 128 Y N 0.091 120.317 120.300 -0.123 0.000 2.638 128 Y HA 0.644 5.194 4.550 -0.000 0.000 0.335 128 Y C -1.133 174.735 175.900 -0.055 0.000 1.155 128 Y CA -1.267 56.822 58.100 -0.020 0.000 1.046 128 Y CB 0.834 39.210 38.460 -0.141 0.000 1.303 128 Y HN 0.434 nan 8.280 nan 0.000 0.460 129 T N 2.165 116.844 114.554 0.209 0.000 2.749 129 T HA 0.326 4.674 4.350 -0.003 0.000 0.295 129 T C -0.268 174.489 174.700 0.096 0.000 0.936 129 T CA -0.414 61.723 62.100 0.062 0.000 1.060 129 T CB 0.405 69.343 68.868 0.116 0.000 0.904 129 T HN 0.623 nan 8.240 nan 0.000 0.500 130 S N 3.185 118.808 115.700 -0.129 0.000 2.499 130 S HA 0.261 4.729 4.470 -0.003 0.000 0.275 130 S C -0.660 173.513 174.600 -0.712 0.000 1.257 130 S CA -0.552 57.380 58.200 -0.446 0.000 1.050 130 S CB 0.033 62.881 63.200 -0.586 0.000 0.937 130 S HN 0.636 nan 8.310 nan 0.000 0.490 131 Y N 4.140 123.849 120.300 -0.985 0.000 2.328 131 Y HA 0.484 5.032 4.550 -0.004 0.000 0.337 131 Y C -1.625 173.811 175.900 -0.774 0.000 0.966 131 Y CA -1.436 56.086 58.100 -0.964 0.000 1.136 131 Y CB 0.445 37.956 38.460 -1.581 0.000 1.170 131 Y HN 0.597 nan 8.280 nan 0.000 0.470 132 Y N 8.616 128.413 120.300 -0.839 0.000 2.417 132 Y HA 0.362 4.909 4.550 -0.004 0.000 0.336 132 Y C -1.898 173.507 175.900 -0.823 0.000 0.961 132 Y CA -2.761 54.945 58.100 -0.657 0.000 1.215 132 Y CB 1.170 39.437 38.460 -0.320 0.000 1.120 132 Y HN 0.561 nan 8.280 nan 0.000 0.499 133 P HA -0.121 nan 4.420 nan 0.000 0.221 133 P C -0.191 177.035 177.300 -0.122 0.000 1.150 133 P CA 1.038 63.924 63.100 -0.357 0.000 0.800 133 P CB 0.275 31.890 31.700 -0.141 0.000 0.787 134 V N -4.913 114.946 119.914 -0.092 0.000 2.864 134 V HA 0.819 4.937 4.120 -0.003 0.000 0.314 134 V C -0.173 175.892 176.094 -0.049 0.000 1.073 134 V CA -2.157 60.116 62.300 -0.044 0.000 0.956 134 V CB 1.201 33.003 31.823 -0.035 0.000 1.023 134 V HN -0.050 nan 8.190 nan 0.000 0.435 135 A N 3.589 126.383 122.820 -0.043 0.000 2.477 135 A HA 0.613 4.932 4.320 -0.003 0.000 0.246 135 A C 0.168 177.700 177.584 -0.086 0.000 1.078 135 A CA 0.246 52.241 52.037 -0.070 0.000 0.770 135 A CB -0.030 18.937 19.000 -0.054 0.000 1.011 135 A HN 1.340 nan 8.150 nan 0.000 0.494 136 Q N 0.210 119.933 119.800 -0.128 0.000 2.702 136 Q HA 0.538 4.877 4.340 -0.003 0.000 0.289 136 Q C -1.392 174.520 176.000 -0.147 0.000 0.923 136 Q CA -0.919 54.812 55.803 -0.120 0.000 0.787 136 Q CB 0.904 29.576 28.738 -0.109 0.000 1.476 136 Q HN 0.420 nan 8.270 nan 0.000 0.402 137 T N 1.886 116.373 114.554 -0.112 0.000 2.767 137 T HA 0.527 4.875 4.350 -0.003 0.000 0.284 137 T C 0.019 174.658 174.700 -0.101 0.000 0.973 137 T CA -0.575 61.459 62.100 -0.109 0.000 0.996 137 T CB 0.461 69.282 68.868 -0.078 0.000 0.927 137 T HN 0.334 nan 8.240 nan 0.000 0.456 138 L N 4.210 125.363 121.223 -0.117 0.000 2.416 138 L HA 0.326 4.664 4.340 -0.003 0.000 0.262 138 L C -1.231 175.601 176.870 -0.062 0.000 1.093 138 L CA -2.469 52.316 54.840 -0.092 0.000 0.801 138 L CB 0.877 42.867 42.059 -0.116 0.000 1.191 138 L HN 0.380 nan 8.230 nan 0.000 0.459 139 P HA -0.153 nan 4.420 nan 0.000 0.219 139 P C 1.432 178.702 177.300 -0.050 0.000 1.146 139 P CA 1.049 64.128 63.100 -0.035 0.000 0.808 139 P CB 0.137 31.826 31.700 -0.018 0.000 0.779 140 S N -1.890 113.768 115.700 -0.069 0.000 2.474 140 S HA 0.070 4.538 4.470 -0.003 0.000 0.235 140 S C 1.856 176.415 174.600 -0.067 0.000 0.997 140 S CA 1.029 59.178 58.200 -0.085 0.000 0.949 140 S CB -1.279 61.858 63.200 -0.106 0.000 0.766 140 S HN 0.308 nan 8.310 nan 0.000 0.517 141 G N 0.214 108.976 108.800 -0.064 0.000 2.234 141 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.235 141 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.235 141 G C -0.052 174.807 174.900 -0.069 0.000 0.997 141 G CA 0.051 45.116 45.100 -0.058 0.000 0.623 141 G HN 0.602 nan 8.290 nan 0.000 0.514 142 Q N 0.884 120.635 119.800 -0.081 0.000 2.392 142 Q HA 0.480 4.818 4.340 -0.003 0.000 0.262 142 Q C -0.172 175.752 176.000 -0.128 0.000 1.003 142 Q CA 0.772 56.518 55.803 -0.094 0.000 0.888 142 Q CB 0.649 29.329 28.738 -0.095 0.000 1.260 142 Q HN 0.233 nan 8.270 nan 0.000 0.435 143 T N 1.569 116.045 114.554 -0.130 0.000 2.824 143 T HA 0.495 4.843 4.350 -0.003 0.000 0.280 143 T C -0.614 173.966 174.700 -0.200 0.000 0.995 143 T CA -0.703 61.304 62.100 -0.154 0.000 1.009 143 T CB 1.094 69.892 68.868 -0.115 0.000 0.955 143 T HN 0.450 nan 8.240 nan 0.000 0.452 144 V N 1.696 121.451 119.914 -0.266 0.000 2.769 144 V HA 0.640 4.759 4.120 -0.003 0.000 0.312 144 V C -0.461 175.516 176.094 -0.195 0.000 1.061 144 V CA -1.162 60.956 62.300 -0.303 0.000 0.931 144 V CB 1.704 33.123 31.823 -0.674 0.000 1.010 144 V HN 0.827 nan 8.190 nan 0.000 0.433 145 Q N 1.138 120.867 119.800 -0.119 0.000 2.312 145 Q HA 0.374 4.712 4.340 -0.003 0.000 0.236 145 Q C -0.334 175.703 176.000 0.062 0.000 0.965 145 Q CA -0.514 55.260 55.803 -0.050 0.000 0.894 145 Q CB 1.282 29.939 28.738 -0.135 0.000 1.225 145 Q HN 0.793 nan 8.270 nan 0.000 0.478 146 E N 1.632 121.878 120.200 0.077 0.000 2.529 146 E HA -0.154 4.194 4.350 -0.003 0.000 0.259 146 E C -0.556 176.151 176.600 0.177 0.000 0.966 146 E CA 0.324 56.778 56.400 0.090 0.000 0.937 146 E CB 0.191 29.939 29.700 0.080 0.000 0.923 146 E HN 0.491 nan 8.360 nan 0.000 0.468 147 D N 1.461 121.916 120.400 0.092 0.000 3.076 147 D HA -0.218 4.420 4.640 -0.003 0.000 0.218 147 D C 0.086 176.543 176.300 0.261 0.000 1.156 147 D CA 0.982 55.105 54.000 0.206 0.000 0.921 147 D CB -0.949 40.000 40.800 0.247 0.000 1.113 147 D HN 0.582 nan 8.370 nan 0.000 0.418 148 Q N 0.332 120.298 119.800 0.277 0.000 2.364 148 Q HA 0.132 4.470 4.340 -0.003 0.000 0.267 148 Q C -0.218 175.977 176.000 0.325 0.000 0.999 148 Q CA 0.508 56.545 55.803 0.390 0.000 0.886 148 Q CB 0.618 29.598 28.738 0.404 0.000 1.243 148 Q HN 0.173 nan 8.270 nan 0.000 0.415 149 Q N 1.870 121.850 119.800 0.300 0.000 2.331 149 Q HA 0.470 4.808 4.340 -0.003 0.000 0.267 149 Q C -1.309 174.844 176.000 0.256 0.000 1.006 149 Q CA -0.507 55.412 55.803 0.193 0.000 0.818 149 Q CB 2.281 31.123 28.738 0.175 0.000 1.276 149 Q HN 0.573 nan 8.270 nan 0.000 0.450 150 S N 1.447 117.224 115.700 0.129 0.000 2.661 150 S HA 0.444 4.912 4.470 -0.003 0.000 0.285 150 S C -1.258 173.269 174.600 -0.121 0.000 1.138 150 S CA -0.919 57.353 58.200 0.121 0.000 0.855 150 S CB 1.727 65.087 63.200 0.267 0.000 1.136 150 S HN 0.389 nan 8.310 nan 0.000 0.484 151 Q N 1.202 120.879 119.800 -0.205 0.000 2.290 151 Q HA 0.711 5.049 4.340 -0.003 0.000 0.259 151 Q C -0.749 175.057 176.000 -0.323 0.000 0.941 151 Q CA -0.372 55.222 55.803 -0.348 0.000 0.912 151 Q CB 1.551 29.994 28.738 -0.490 0.000 1.244 151 Q HN 0.537 nan 8.270 nan 0.000 0.441 152 S N 1.630 117.006 115.700 -0.540 0.000 2.667 152 S HA 0.836 5.304 4.470 -0.003 0.000 0.292 152 S C -0.148 173.960 174.600 -0.821 0.000 1.126 152 S CA -0.779 57.079 58.200 -0.570 0.000 0.881 152 S CB 1.395 64.272 63.200 -0.538 0.000 1.132 152 S HN 0.599 nan 8.310 nan 0.000 0.492 153 I N -1.445 118.905 120.570 -0.366 0.000 2.934 153 I HA 1.017 5.185 4.170 -0.003 0.000 0.306 153 I C -0.726 175.468 176.117 0.129 0.000 1.110 153 I CA -1.168 60.047 61.300 -0.142 0.000 1.019 153 I CB 1.882 39.938 38.000 0.094 0.000 1.227 153 I HN 0.701 nan 8.210 nan 0.000 0.434 154 A N 3.025 125.950 122.820 0.175 0.000 2.532 154 A HA 0.920 5.238 4.320 -0.003 0.000 0.290 154 A C -1.646 176.042 177.584 0.173 0.000 1.143 154 A CA -0.590 51.499 52.037 0.086 0.000 0.728 154 A CB 1.699 20.682 19.000 -0.028 0.000 1.317 154 A HN 1.009 nan 8.150 nan 0.000 0.414 155 Y N -1.225 119.055 120.300 -0.035 0.000 2.562 155 Y HA 0.831 5.381 4.550 -0.001 0.000 0.345 155 Y C -0.429 175.200 175.900 -0.453 0.000 1.045 155 Y CA -0.898 57.099 58.100 -0.172 0.000 1.028 155 Y CB 1.469 39.665 38.460 -0.440 0.000 1.297 155 Y HN 0.778 nan 8.280 nan 0.000 0.463 156 S N 2.392 117.672 115.700 -0.701 0.000 2.532 156 S HA 0.572 5.040 4.470 -0.003 0.000 0.299 156 S C -0.662 173.698 174.600 -0.399 0.000 1.105 156 S CA -0.784 56.847 58.200 -0.948 0.000 1.018 156 S CB 0.857 62.911 63.200 -1.909 0.000 1.021 156 S HN 0.856 nan 8.310 nan 0.000 0.483 157 L N 3.092 124.165 121.223 -0.249 0.000 2.808 157 L HA 0.362 4.701 4.340 -0.003 0.000 0.246 157 L C 0.028 176.830 176.870 -0.113 0.000 1.153 157 L CA -0.054 54.719 54.840 -0.113 0.000 0.956 157 L CB 0.148 42.195 42.059 -0.020 0.000 1.270 157 L HN 0.651 nan 8.230 nan 0.000 0.528 158 D N -2.481 117.816 120.400 -0.171 0.000 2.788 158 D HA 0.126 4.764 4.640 -0.003 0.000 0.289 158 D C -0.214 176.050 176.300 -0.060 0.000 1.340 158 D CA -0.518 53.426 54.000 -0.092 0.000 0.831 158 D CB 0.159 40.913 40.800 -0.076 0.000 1.103 158 D HN -0.119 nan 8.370 nan 0.000 0.476 159 D N -0.278 120.082 120.400 -0.067 0.000 2.800 159 D HA -0.071 4.567 4.640 -0.003 0.000 0.232 159 D C 1.359 177.706 176.300 0.079 0.000 1.137 159 D CA 1.700 55.728 54.000 0.045 0.000 0.718 159 D CB -1.216 39.669 40.800 0.142 0.000 1.084 159 D HN 0.652 nan 8.370 nan 0.000 0.432 160 G N -1.708 106.989 108.800 -0.172 0.000 2.175 160 G HA2 -0.374 3.585 3.960 -0.003 0.000 0.244 160 G HA3 -0.374 3.585 3.960 -0.003 0.000 0.244 160 G C 0.928 175.963 174.900 0.225 0.000 0.982 160 G CA 0.504 45.570 45.100 -0.057 0.000 0.641 160 G HN 0.517 nan 8.290 nan 0.000 0.527 161 L N 1.599 122.894 121.223 0.120 0.000 2.005 161 L HA 0.328 4.666 4.340 -0.003 0.000 0.207 161 L C 1.752 178.717 176.870 0.159 0.000 1.072 161 L CA 3.047 58.019 54.840 0.220 0.000 0.744 161 L CB -0.429 41.703 42.059 0.122 0.000 0.895 161 L HN 0.777 nan 8.230 nan 0.000 0.433 162 T N -4.118 110.385 114.554 -0.086 0.000 2.916 162 T HA 0.490 4.838 4.350 -0.003 0.000 0.292 162 T C -1.210 173.254 174.700 -0.394 0.000 1.055 162 T CA -0.602 61.454 62.100 -0.074 0.000 1.009 162 T CB 1.270 70.096 68.868 -0.070 0.000 1.118 162 T HN 0.172 nan 8.240 nan 0.000 0.497 163 W N 0.262 121.413 121.300 -0.248 0.000 2.936 163 W HA 0.594 5.250 4.660 -0.006 0.000 0.338 163 W C -0.693 175.544 176.519 -0.470 0.000 1.121 163 W CA -0.625 56.485 57.345 -0.392 0.000 1.209 163 W CB 2.469 31.657 29.460 -0.454 0.000 1.420 163 W HN 0.720 nan 8.180 nan 0.000 0.516 164 T N 1.435 115.684 114.554 -0.509 0.000 2.786 164 T HA 0.372 4.720 4.350 -0.003 0.000 0.283 164 T C 0.008 174.407 174.700 -0.500 0.000 0.992 164 T CA -0.694 61.053 62.100 -0.587 0.000 0.954 164 T CB 0.766 69.107 68.868 -0.879 0.000 0.934 164 T HN 0.384 nan 8.240 nan 0.000 0.440 165 T N 0.867 115.291 114.554 -0.217 0.000 2.919 165 T HA 0.182 4.531 4.350 -0.003 0.000 0.302 165 T C 0.023 174.771 174.700 0.079 0.000 1.031 165 T CA -0.627 61.454 62.100 -0.032 0.000 1.127 165 T CB 0.298 69.204 68.868 0.064 0.000 0.952 165 T HN 0.460 nan 8.240 nan 0.000 0.540 166 Y N 2.586 122.889 120.300 0.006 0.000 2.603 166 Y HA 0.172 4.718 4.550 -0.006 0.000 0.341 166 Y C 0.652 176.605 175.900 0.088 0.000 1.272 166 Y CA -1.577 56.562 58.100 0.065 0.000 1.891 166 Y CB -1.337 37.207 38.460 0.141 0.000 1.910 166 Y HN 0.696 nan 8.280 nan 0.000 0.432 167 D N 2.243 122.695 120.400 0.086 0.000 2.178 167 D HA -0.178 4.460 4.640 -0.003 0.000 0.201 167 D C 2.142 178.372 176.300 -0.116 0.000 0.980 167 D CA 1.319 55.317 54.000 -0.003 0.000 0.842 167 D CB -0.118 40.700 40.800 0.029 0.000 0.948 167 D HN 0.586 nan 8.370 nan 0.000 0.472 168 A N 0.588 123.310 122.820 -0.165 0.000 1.948 168 A HA -0.027 4.291 4.320 -0.003 0.000 0.220 168 A C 2.101 179.472 177.584 -0.354 0.000 1.177 168 A CA 2.442 54.355 52.037 -0.207 0.000 0.636 168 A CB -0.204 18.747 19.000 -0.082 0.000 0.815 168 A HN 0.285 nan 8.150 nan 0.000 0.449 169 A N -1.712 120.683 122.820 -0.708 0.000 2.427 169 A HA 0.284 4.602 4.320 -0.003 0.000 0.225 169 A C 0.529 177.943 177.584 -0.284 0.000 1.257 169 A CA -0.286 51.440 52.037 -0.519 0.000 0.985 169 A CB -0.107 18.512 19.000 -0.634 0.000 1.136 169 A HN 0.523 nan 8.150 nan 0.000 0.538 170 N N 2.058 120.613 118.700 -0.243 0.000 2.454 170 N HA 0.215 4.953 4.740 -0.003 0.000 0.254 170 N C -2.643 172.856 175.510 -0.018 0.000 1.228 170 N CA -0.785 52.234 53.050 -0.051 0.000 0.900 170 N CB 0.756 39.259 38.487 0.026 0.000 1.089 170 N HN 0.248 nan 8.380 nan 0.000 0.449 171 P HA 0.007 nan 4.420 nan 0.000 0.282 171 P C 0.742 178.059 177.300 0.029 0.000 1.249 171 P CA -0.310 62.810 63.100 0.033 0.000 0.806 171 P CB 1.214 32.968 31.700 0.090 0.000 0.984 172 V N 0.400 120.337 119.914 0.039 0.000 2.951 172 V HA 0.121 4.239 4.120 -0.003 0.000 0.255 172 V C 0.965 177.119 176.094 0.100 0.000 1.088 172 V CA 1.088 63.467 62.300 0.131 0.000 1.109 172 V CB -0.834 31.162 31.823 0.288 0.000 0.724 172 V HN 0.317 nan 8.190 nan 0.000 0.471 173 I N 2.036 122.588 120.570 -0.030 0.000 2.668 173 I HA 0.334 4.502 4.170 -0.003 0.000 0.276 173 I C -1.723 174.466 176.117 0.119 0.000 1.139 173 I CA -1.698 59.589 61.300 -0.021 0.000 1.133 173 I CB 1.862 39.686 38.000 -0.293 0.000 1.327 173 I HN 0.021 nan 8.210 nan 0.000 0.520 174 P HA -0.100 nan 4.420 nan 0.000 0.217 174 P C -0.165 177.283 177.300 0.246 0.000 1.150 174 P CA 1.362 64.557 63.100 0.159 0.000 0.832 174 P CB 0.135 31.882 31.700 0.079 0.000 0.787 175 N N -0.625 118.192 118.700 0.194 0.000 2.272 175 N HA 0.402 5.141 4.740 -0.003 0.000 0.305 175 N C -2.912 172.413 175.510 -0.309 0.000 1.103 175 N CA -2.163 50.910 53.050 0.037 0.000 0.791 175 N CB 1.152 39.645 38.487 0.010 0.000 1.356 175 N HN -0.116 nan 8.380 nan 0.000 0.486 176 P HA 0.136 nan 4.420 nan 0.000 0.270 176 P C -2.522 174.614 177.300 -0.272 0.000 1.223 176 P CA -0.813 61.725 63.100 -0.936 0.000 0.785 176 P CB -0.151 31.208 31.700 -0.569 0.000 0.923 177 P HA 0.013 nan 4.420 nan 0.000 0.272 177 P C -0.076 177.188 177.300 -0.060 0.000 1.223 177 P CA 0.014 63.117 63.100 0.006 0.000 0.784 177 P CB 0.405 32.137 31.700 0.052 0.000 0.923 178 S N 2.458 118.095 115.700 -0.105 0.000 2.552 178 S HA 0.095 4.563 4.470 -0.003 0.000 0.289 178 S C -1.447 172.909 174.600 -0.406 0.000 1.304 178 S CA -0.807 57.273 58.200 -0.201 0.000 1.063 178 S CB -0.641 62.480 63.200 -0.132 0.000 0.848 178 S HN 0.354 nan 8.310 nan 0.000 0.499 179 P HA 0.241 nan 4.420 nan 0.000 0.248 179 P C -0.915 176.103 177.300 -0.470 0.000 1.708 179 P CA -0.123 62.676 63.100 -0.501 0.000 1.062 179 P CB -0.305 31.137 31.700 -0.430 0.000 1.562 180 Y N -0.406 119.855 120.300 -0.065 0.000 2.658 180 Y HA 0.228 4.775 4.550 -0.004 0.000 0.276 180 Y C 1.734 177.594 175.900 -0.068 0.000 1.167 180 Y CA -0.486 57.571 58.100 -0.072 0.000 1.230 180 Y CB -0.326 38.077 38.460 -0.094 0.000 1.144 180 Y HN -0.044 nan 8.280 nan 0.000 0.529 181 E N 1.142 121.358 120.200 0.026 0.000 2.171 181 E HA -0.224 4.124 4.350 -0.003 0.000 0.197 181 E C 2.252 178.926 176.600 0.123 0.000 0.997 181 E CA 1.377 57.796 56.400 0.031 0.000 0.810 181 E CB -0.169 29.525 29.700 -0.010 0.000 0.738 181 E HN 0.477 nan 8.360 nan 0.000 0.467 182 A N 0.948 123.844 122.820 0.127 0.000 2.178 182 A HA -0.139 4.179 4.320 -0.003 0.000 0.218 182 A C 1.280 178.968 177.584 0.173 0.000 1.157 182 A CA 0.924 53.072 52.037 0.185 0.000 0.689 182 A CB -0.086 18.980 19.000 0.110 0.000 0.787 182 A HN 0.004 nan 8.150 nan 0.000 0.465 183 E N -0.403 119.865 120.200 0.115 0.000 2.359 183 E HA 0.018 4.366 4.350 -0.003 0.000 0.187 183 E C 0.907 177.533 176.600 0.044 0.000 1.081 183 E CA -0.043 56.375 56.400 0.030 0.000 0.929 183 E CB -0.651 29.056 29.700 0.011 0.000 1.086 183 E HN 0.952 nan 8.360 nan 0.000 0.462 184 Y N 0.079 120.407 120.300 0.047 0.000 2.384 184 Y HA -0.167 4.381 4.550 -0.004 0.000 0.289 184 Y C 1.559 177.552 175.900 0.156 0.000 1.152 184 Y CA 1.134 59.287 58.100 0.088 0.000 1.258 184 Y CB -0.364 38.132 38.460 0.059 0.000 0.979 184 Y HN 0.010 nan 8.280 nan 0.000 0.549 185 Q N 0.241 119.795 119.800 -0.410 0.000 2.392 185 Q HA 0.121 4.459 4.340 -0.003 0.000 0.203 185 Q C -0.317 175.676 176.000 -0.012 0.000 0.917 185 Q CA 0.202 55.866 55.803 -0.232 0.000 0.939 185 Q CB 0.293 28.797 28.738 -0.389 0.000 1.063 185 Q HN 0.436 nan 8.270 nan 0.000 0.516 186 N N 0.289 119.013 118.700 0.041 0.000 2.707 186 N HA 0.186 4.924 4.740 -0.003 0.000 0.249 186 N C -1.896 173.750 175.510 0.227 0.000 1.299 186 N CA -0.104 53.002 53.050 0.093 0.000 0.769 186 N CB 1.099 39.592 38.487 0.010 0.000 1.236 186 N HN 0.024 nan 8.380 nan 0.000 0.524 187 F N 3.240 123.230 119.950 0.066 0.000 3.287 187 F HA 0.364 4.887 4.527 -0.006 0.000 0.379 187 F C -1.149 174.711 175.800 0.100 0.000 1.268 187 F CA -0.576 57.474 58.000 0.084 0.000 1.220 187 F CB 0.545 39.602 39.000 0.095 0.000 1.687 187 F HN 0.271 nan 8.300 nan 0.000 0.648 188 R N 2.605 123.053 120.500 -0.086 0.000 2.733 188 R HA 0.649 4.987 4.340 -0.003 0.000 0.272 188 R C -1.631 174.649 176.300 -0.033 0.000 1.029 188 R CA -0.852 55.199 56.100 -0.081 0.000 0.888 188 R CB 1.212 31.578 30.300 0.110 0.000 1.251 188 R HN 0.203 nan 8.270 nan 0.000 0.464 189 D N -0.146 120.264 120.400 0.017 0.000 2.823 189 D HA -0.064 4.574 4.640 -0.003 0.000 0.248 189 D C -2.443 173.893 176.300 0.061 0.000 1.076 189 D CA 0.483 54.523 54.000 0.067 0.000 0.760 189 D CB -0.837 40.005 40.800 0.071 0.000 1.065 189 D HN 0.516 nan 8.370 nan 0.000 0.432 190 P HA 0.168 nan 4.420 nan 0.000 0.271 190 P C -0.390 176.989 177.300 0.131 0.000 1.233 190 P CA -0.239 62.855 63.100 -0.009 0.000 0.764 190 P CB 0.208 31.806 31.700 -0.170 0.000 0.825 191 F N 5.739 125.718 119.950 0.049 0.000 2.332 191 F HA 0.374 4.901 4.527 -0.000 0.000 0.368 191 F C -0.802 175.142 175.800 0.240 0.000 1.110 191 F CA -0.966 57.108 58.000 0.124 0.000 1.087 191 F CB 0.900 39.962 39.000 0.104 0.000 1.235 191 F HN 0.087 nan 8.300 nan 0.000 0.470 192 V N 8.594 128.347 119.914 -0.268 0.000 2.532 192 V HA 0.742 4.861 4.120 -0.003 0.000 0.295 192 V C -1.117 174.958 176.094 -0.032 0.000 1.041 192 V CA -0.457 61.802 62.300 -0.068 0.000 0.926 192 V CB 1.499 33.337 31.823 0.025 0.000 0.992 192 V HN 0.671 nan 8.190 nan 0.000 0.457 193 F N 3.889 123.917 119.950 0.130 0.000 2.713 193 F HA 0.490 5.021 4.527 0.006 0.000 0.311 193 F C -1.233 174.940 175.800 0.622 0.000 1.141 193 F CA -1.404 56.787 58.000 0.319 0.000 0.939 193 F CB 1.196 40.295 39.000 0.165 0.000 1.325 193 F HN 0.681 nan 8.300 nan 0.000 0.453 194 W N 3.714 125.260 121.300 0.410 0.000 2.388 194 W HA 0.277 4.927 4.660 -0.016 0.000 0.308 194 W C -1.185 175.470 176.519 0.226 0.000 1.263 194 W CA -0.230 57.090 57.345 -0.041 0.000 1.286 194 W CB 0.652 29.935 29.460 -0.296 0.000 1.294 194 W HN 0.815 nan 8.180 nan 0.000 0.493 195 H N 5.931 124.646 119.070 -0.592 0.000 2.820 195 H HA 0.097 4.648 4.556 -0.007 0.000 0.278 195 H C 1.268 176.211 175.328 -0.642 0.000 1.142 195 H CA 0.273 56.151 56.048 -0.284 0.000 1.346 195 H CB 0.508 30.181 29.762 -0.149 0.000 1.438 195 H HN 0.442 nan 8.280 nan 0.000 0.473 196 D N 3.689 123.770 120.400 -0.531 0.000 2.133 196 D HA -0.188 4.451 4.640 -0.003 0.000 0.195 196 D C 1.101 177.192 176.300 -0.349 0.000 0.997 196 D CA 1.476 55.284 54.000 -0.320 0.000 0.840 196 D CB 0.376 41.185 40.800 0.014 0.000 0.947 196 D HN 0.661 nan 8.370 nan 0.000 0.452 197 E N 0.456 120.352 120.200 -0.507 0.000 2.072 197 E HA -0.109 4.239 4.350 -0.003 0.000 0.191 197 E C 2.121 178.613 176.600 -0.179 0.000 0.985 197 E CA 1.209 57.441 56.400 -0.280 0.000 0.801 197 E CB -0.145 29.433 29.700 -0.203 0.000 0.750 197 E HN 0.246 nan 8.360 nan 0.000 0.452 198 S N -0.424 115.180 115.700 -0.159 0.000 2.556 198 S HA 0.014 4.483 4.470 -0.003 0.000 0.216 198 S C 0.250 174.728 174.600 -0.204 0.000 0.970 198 S CA -0.282 57.880 58.200 -0.064 0.000 0.912 198 S CB 0.178 63.419 63.200 0.067 0.000 0.790 198 S HN 0.045 nan 8.310 nan 0.000 0.504 199 Q N 0.148 119.711 119.800 -0.396 0.000 2.452 199 Q HA -0.141 4.197 4.340 -0.003 0.000 0.318 199 Q C -0.750 174.798 176.000 -0.754 0.000 1.386 199 Q CA 1.127 56.609 55.803 -0.535 0.000 0.872 199 Q CB -1.625 27.077 28.738 -0.059 0.000 1.151 199 Q HN 0.740 nan 8.270 nan 0.000 0.417 200 K N -0.901 118.843 120.400 -1.094 0.000 2.508 200 K HA 0.511 4.829 4.320 -0.003 0.000 0.260 200 K C -0.977 175.197 176.600 -0.709 0.000 0.949 200 K CA -0.631 55.261 56.287 -0.659 0.000 0.834 200 K CB 1.138 33.493 32.500 -0.242 0.000 1.365 200 K HN 0.076 nan 8.250 nan 0.000 0.437 201 W N 1.765 123.030 121.300 -0.057 0.000 2.238 201 W HA 0.385 5.035 4.660 -0.016 0.000 0.321 201 W C -0.353 176.183 176.519 0.028 0.000 1.293 201 W CA -0.543 56.850 57.345 0.081 0.000 1.204 201 W CB 0.840 30.406 29.460 0.177 0.000 1.167 201 W HN -0.006 nan 8.180 nan 0.000 0.553 202 V N 4.575 124.535 119.914 0.077 0.000 2.588 202 V HA 0.490 4.609 4.120 -0.003 0.000 0.304 202 V C -0.755 175.356 176.094 0.029 0.000 1.042 202 V CA -1.131 61.153 62.300 -0.026 0.000 0.877 202 V CB 1.652 33.201 31.823 -0.455 0.000 0.996 202 V HN 0.319 nan 8.190 nan 0.000 0.425 203 V N 5.967 126.008 119.914 0.212 0.000 2.604 203 V HA 0.696 4.814 4.120 -0.003 0.000 0.305 203 V C -0.779 175.439 176.094 0.206 0.000 1.043 203 V CA -0.314 62.041 62.300 0.092 0.000 0.888 203 V CB 2.362 33.991 31.823 -0.323 0.000 0.995 203 V HN 0.647 nan 8.190 nan 0.000 0.429 204 V N 5.675 125.739 119.914 0.251 0.000 2.417 204 V HA 0.697 4.816 4.120 -0.003 0.000 0.291 204 V C 0.241 176.459 176.094 0.207 0.000 1.024 204 V CA -0.150 62.304 62.300 0.257 0.000 0.861 204 V CB 1.641 33.619 31.823 0.259 0.000 0.985 204 V HN 1.052 nan 8.190 nan 0.000 0.436 205 T N 0.663 115.353 114.554 0.226 0.000 2.930 205 T HA 0.689 5.037 4.350 -0.003 0.000 0.290 205 T C -0.382 174.464 174.700 0.242 0.000 1.052 205 T CA -0.788 61.410 62.100 0.163 0.000 1.017 205 T CB 1.968 70.907 68.868 0.118 0.000 1.137 205 T HN 0.583 nan 8.240 nan 0.000 0.511 206 S N 0.475 116.302 115.700 0.212 0.000 2.498 206 S HA 0.517 4.986 4.470 -0.003 0.000 0.317 206 S C -0.262 174.515 174.600 0.295 0.000 1.090 206 S CA -0.986 57.376 58.200 0.270 0.000 1.089 206 S CB -0.153 63.208 63.200 0.270 0.000 0.997 206 S HN 0.635 nan 8.310 nan 0.000 0.470 207 I N 5.378 126.093 120.570 0.241 0.000 2.270 207 I HA 0.186 4.355 4.170 -0.003 0.000 0.300 207 I C 1.578 177.706 176.117 0.018 0.000 1.186 207 I CA -0.451 60.930 61.300 0.135 0.000 1.431 207 I CB 0.098 38.065 38.000 -0.054 0.000 1.485 207 I HN 0.809 nan 8.210 nan 0.000 0.650 208 A N 4.853 127.725 122.820 0.086 0.000 1.917 208 A HA -0.169 4.149 4.320 -0.003 0.000 0.219 208 A C 2.175 179.714 177.584 -0.076 0.000 1.182 208 A CA 1.517 53.609 52.037 0.092 0.000 0.633 208 A CB -0.179 18.891 19.000 0.117 0.000 0.819 208 A HN 0.640 nan 8.150 nan 0.000 0.448 209 E N -0.263 119.832 120.200 -0.174 0.000 2.216 209 E HA -0.015 4.333 4.350 -0.003 0.000 0.192 209 E C 1.614 177.816 176.600 -0.663 0.000 0.988 209 E CA 0.623 56.828 56.400 -0.324 0.000 0.834 209 E CB -0.179 29.403 29.700 -0.196 0.000 0.772 209 E HN 0.691 nan 8.360 nan 0.000 0.479 210 L N -0.160 120.724 121.223 -0.565 0.000 2.592 210 L HA 0.116 4.454 4.340 -0.003 0.000 0.227 210 L C -0.311 176.127 176.870 -0.720 0.000 1.127 210 L CA -0.010 54.460 54.840 -0.616 0.000 0.884 210 L CB -0.663 41.082 42.059 -0.524 0.000 1.065 210 L HN 0.198 nan 8.230 nan 0.000 0.457 211 H N 0.056 118.793 119.070 -0.556 0.000 2.692 211 H HA -0.201 4.354 4.556 -0.003 0.000 0.316 211 H C 0.062 174.611 175.328 -1.299 0.000 1.176 211 H CA 0.632 55.920 56.048 -1.267 0.000 1.142 211 H CB -1.563 27.329 29.762 -1.450 0.000 1.475 211 H HN 0.531 nan 8.280 nan 0.000 0.423 212 K N -0.138 119.950 120.400 -0.521 0.000 2.502 212 K HA 0.710 5.028 4.320 -0.003 0.000 0.257 212 K C -1.114 175.519 176.600 0.054 0.000 0.938 212 K CA -1.092 55.019 56.287 -0.293 0.000 0.819 212 K CB 2.511 34.798 32.500 -0.355 0.000 1.333 212 K HN 0.060 nan 8.250 nan 0.000 0.434 213 L N 1.514 122.873 121.223 0.227 0.000 2.325 213 L HA 0.740 5.079 4.340 -0.003 0.000 0.278 213 L C -0.433 176.582 176.870 0.242 0.000 1.023 213 L CA -1.154 53.869 54.840 0.305 0.000 0.811 213 L CB 1.918 44.219 42.059 0.402 0.000 1.249 213 L HN 0.920 nan 8.230 nan 0.000 0.431 214 A N 4.043 127.022 122.820 0.265 0.000 2.331 214 A HA 0.785 5.103 4.320 -0.003 0.000 0.320 214 A C -0.699 177.011 177.584 0.210 0.000 1.138 214 A CA -0.460 51.696 52.037 0.198 0.000 0.790 214 A CB 0.794 19.926 19.000 0.220 0.000 1.206 214 A HN 0.644 nan 8.150 nan 0.000 0.470 215 I N 2.213 122.837 120.570 0.090 0.000 2.377 215 I HA 0.437 4.606 4.170 -0.003 0.000 0.293 215 I C -1.020 175.118 176.117 0.035 0.000 0.987 215 I CA -0.414 60.986 61.300 0.167 0.000 1.185 215 I CB 1.253 39.379 38.000 0.210 0.000 1.341 215 I HN 0.683 nan 8.210 nan 0.000 0.455 216 Y N 2.727 123.155 120.300 0.213 0.000 2.570 216 Y HA 0.583 5.128 4.550 -0.010 0.000 0.345 216 Y C 0.464 176.624 175.900 0.434 0.000 1.014 216 Y CA -0.858 57.429 58.100 0.311 0.000 1.063 216 Y CB 2.351 41.021 38.460 0.349 0.000 1.272 216 Y HN 0.523 nan 8.280 nan 0.000 0.477 217 T N -1.624 113.277 114.554 0.579 0.000 2.924 217 T HA 0.789 5.137 4.350 -0.003 0.000 0.291 217 T C -0.730 174.090 174.700 0.201 0.000 1.045 217 T CA -0.867 61.474 62.100 0.403 0.000 1.015 217 T CB 1.887 70.854 68.868 0.165 0.000 1.103 217 T HN 0.605 nan 8.240 nan 0.000 0.496 218 S N -0.621 115.021 115.700 -0.097 0.000 2.537 218 S HA 0.386 4.854 4.470 -0.003 0.000 0.271 218 S C -0.600 173.964 174.600 -0.060 0.000 1.148 218 S CA -0.659 57.286 58.200 -0.424 0.000 0.868 218 S CB 1.774 64.031 63.200 -1.573 0.000 1.115 218 S HN 0.737 nan 8.310 nan 0.000 0.461 219 D N 1.858 122.231 120.400 -0.044 0.000 2.346 219 D HA 0.065 4.703 4.640 -0.003 0.000 0.206 219 D C 0.884 177.299 176.300 0.192 0.000 1.001 219 D CA 0.639 54.706 54.000 0.111 0.000 0.871 219 D CB 0.120 40.940 40.800 0.034 0.000 0.943 219 D HN 0.688 nan 8.370 nan 0.000 0.518 220 N N -0.219 118.473 118.700 -0.015 0.000 2.118 220 N HA 0.039 4.777 4.740 -0.003 0.000 0.226 220 N C 0.999 176.329 175.510 -0.301 0.000 1.305 220 N CA -0.070 52.914 53.050 -0.110 0.000 0.890 220 N CB 0.136 38.531 38.487 -0.154 0.000 1.118 220 N HN -0.014 nan 8.380 nan 0.000 0.511 221 L N -1.466 119.472 121.223 -0.476 0.000 5.081 221 L HA -0.341 3.997 4.340 -0.003 0.000 0.423 221 L C 1.092 177.894 176.870 -0.113 0.000 1.019 221 L CA 1.664 56.245 54.840 -0.431 0.000 1.223 221 L CB -1.151 40.644 42.059 -0.440 0.000 1.940 221 L HN 0.245 nan 8.230 nan 0.000 0.675 222 K N -1.057 119.188 120.400 -0.258 0.000 2.344 222 K HA 0.201 4.519 4.320 -0.003 0.000 0.200 222 K C 0.192 176.780 176.600 -0.019 0.000 1.132 222 K CA 0.174 56.476 56.287 0.025 0.000 0.935 222 K CB 0.552 33.076 32.500 0.041 0.000 1.089 222 K HN 0.140 nan 8.250 nan 0.000 0.496 223 D N 0.184 120.424 120.400 -0.268 0.000 2.303 223 D HA 0.169 4.807 4.640 -0.003 0.000 0.236 223 D C -1.126 174.969 176.300 -0.342 0.000 1.068 223 D CA -0.155 53.756 54.000 -0.148 0.000 0.830 223 D CB 0.911 41.661 40.800 -0.083 0.000 1.109 223 D HN -0.016 nan 8.370 nan 0.000 0.496 224 W N 1.656 123.011 121.300 0.093 0.000 2.666 224 W HA 0.345 5.021 4.660 0.026 0.000 0.334 224 W C 0.426 177.084 176.519 0.232 0.000 1.051 224 W CA -0.984 56.450 57.345 0.149 0.000 1.224 224 W CB 1.873 31.371 29.460 0.063 0.000 1.405 224 W HN 0.030 nan 8.180 nan 0.000 0.513 225 K N 3.427 124.126 120.400 0.498 0.000 2.413 225 K HA 0.469 4.787 4.320 -0.003 0.000 0.257 225 K C -1.070 175.732 176.600 0.336 0.000 0.946 225 K CA -0.965 55.531 56.287 0.348 0.000 0.823 225 K CB 1.242 33.852 32.500 0.182 0.000 1.109 225 K HN 0.571 nan 8.250 nan 0.000 0.427 226 L N 6.104 127.430 121.223 0.171 0.000 2.534 226 L HA 0.009 4.347 4.340 -0.003 0.000 0.271 226 L C 0.515 177.337 176.870 -0.080 0.000 1.178 226 L CA 0.569 55.275 54.840 -0.223 0.000 0.907 226 L CB 1.130 43.036 42.059 -0.254 0.000 1.164 226 L HN 0.658 nan 8.230 nan 0.000 0.482 227 V N 0.944 120.811 119.914 -0.079 0.000 3.307 227 V HA 0.501 4.619 4.120 -0.003 0.000 0.244 227 V C 0.526 176.622 176.094 0.002 0.000 1.196 227 V CA 0.836 63.133 62.300 -0.005 0.000 1.132 227 V CB -0.230 31.614 31.823 0.036 0.000 0.875 227 V HN 0.884 nan 8.190 nan 0.000 0.468 228 S N -0.779 114.925 115.700 0.007 0.000 2.611 228 S HA 0.658 5.126 4.470 -0.003 0.000 0.268 228 S C -1.466 173.182 174.600 0.080 0.000 1.156 228 S CA -0.768 57.468 58.200 0.061 0.000 0.817 228 S CB 2.199 65.472 63.200 0.121 0.000 1.122 228 S HN 0.473 nan 8.310 nan 0.000 0.466 229 E N -0.053 120.222 120.200 0.125 0.000 2.317 229 E HA 0.657 5.005 4.350 -0.003 0.000 0.270 229 E C -1.903 174.841 176.600 0.240 0.000 0.885 229 E CA -0.637 55.853 56.400 0.151 0.000 0.760 229 E CB 2.383 32.141 29.700 0.097 0.000 1.227 229 E HN 0.515 nan 8.360 nan 0.000 0.434 230 F N 1.377 121.386 119.950 0.098 0.000 2.529 230 F HA 0.631 5.156 4.527 -0.004 0.000 0.320 230 F C 0.186 176.021 175.800 0.058 0.000 1.118 230 F CA 0.390 58.474 58.000 0.140 0.000 0.915 230 F CB 1.465 40.579 39.000 0.190 0.000 1.161 230 F HN 0.646 nan 8.300 nan 0.000 0.445 231 G N 5.122 113.385 108.800 -0.894 0.000 2.685 231 G HA2 -0.053 3.906 3.960 -0.003 0.000 0.387 231 G HA3 -0.053 3.906 3.960 -0.003 0.000 0.387 231 G C -3.214 171.221 174.900 -0.774 0.000 1.324 231 G CA -0.795 43.676 45.100 -1.048 0.000 0.878 231 G HN 0.601 nan 8.290 nan 0.000 0.527 232 P HA 0.547 nan 4.420 nan 0.000 0.275 232 P C -1.107 175.750 177.300 -0.738 0.000 1.228 232 P CA 0.188 62.825 63.100 -0.773 0.000 0.786 232 P CB 0.475 31.831 31.700 -0.574 0.000 0.927 233 Y N 0.262 120.541 120.300 -0.035 0.000 2.581 233 Y HA 0.257 4.805 4.550 -0.004 0.000 0.345 233 Y C 1.095 177.237 175.900 0.404 0.000 1.036 233 Y CA -0.406 57.766 58.100 0.120 0.000 1.042 233 Y CB 1.329 39.820 38.460 0.051 0.000 1.289 233 Y HN 0.374 nan 8.280 nan 0.000 0.471 234 N N -0.023 118.962 118.700 0.475 0.000 1.170 234 N HA -0.284 4.454 4.740 -0.003 0.000 0.121 234 N C -0.420 175.259 175.510 0.282 0.000 0.786 234 N CA 1.087 54.348 53.050 0.352 0.000 0.876 234 N CB -1.343 37.320 38.487 0.293 0.000 1.094 234 N HN 0.874 nan 8.380 nan 0.000 0.586 235 A N 0.470 123.394 122.820 0.174 0.000 2.492 235 A HA 0.328 4.646 4.320 -0.003 0.000 0.254 235 A C 0.579 178.364 177.584 0.336 0.000 1.091 235 A CA 0.509 52.652 52.037 0.177 0.000 0.768 235 A CB -0.075 18.943 19.000 0.031 0.000 1.028 235 A HN 0.429 nan 8.150 nan 0.000 0.498 236 Q N 2.033 121.932 119.800 0.165 0.000 2.057 236 Q HA 0.164 4.502 4.340 -0.003 0.000 0.216 236 Q C 1.231 177.100 176.000 -0.219 0.000 0.788 236 Q CA 0.379 56.095 55.803 -0.145 0.000 1.053 236 Q CB 1.027 29.602 28.738 -0.271 0.000 1.210 236 Q HN 0.892 nan 8.270 nan 0.000 0.455 237 G N 0.097 108.918 108.800 0.035 0.000 3.124 237 G HA2 0.379 4.337 3.960 -0.003 0.000 0.212 237 G HA3 0.379 4.337 3.960 -0.003 0.000 0.212 237 G C 0.367 175.333 174.900 0.111 0.000 1.181 237 G CA 0.531 45.673 45.100 0.070 0.000 0.803 237 G HN 0.275 nan 8.290 nan 0.000 0.529 238 G N -1.211 107.683 108.800 0.157 0.000 2.559 238 G HA2 0.517 4.476 3.960 -0.003 0.000 0.291 238 G HA3 0.517 4.476 3.960 -0.003 0.000 0.291 238 G C -0.706 174.445 174.900 0.420 0.000 1.424 238 G CA -0.024 45.218 45.100 0.237 0.000 0.786 238 G HN 0.744 nan 8.290 nan 0.000 0.485 239 V N -2.011 118.109 119.914 0.345 0.000 2.740 239 V HA 0.512 4.630 4.120 -0.003 0.000 0.303 239 V C -0.398 176.028 176.094 0.553 0.000 1.054 239 V CA -0.835 61.695 62.300 0.383 0.000 1.106 239 V CB 0.625 32.547 31.823 0.165 0.000 0.957 239 V HN 0.529 nan 8.190 nan 0.000 0.486 240 W N 2.791 124.254 121.300 0.272 0.000 2.272 240 W HA 0.640 5.298 4.660 -0.005 0.000 0.318 240 W C 0.422 177.047 176.519 0.177 0.000 1.255 240 W CA -0.451 57.038 57.345 0.241 0.000 1.200 240 W CB 0.238 29.842 29.460 0.240 0.000 1.170 240 W HN 0.756 nan 8.180 nan 0.000 0.549 241 E N 0.907 121.282 120.200 0.293 0.000 2.429 241 E HA 0.332 4.680 4.350 -0.003 0.000 0.276 241 E C -0.730 175.888 176.600 0.029 0.000 0.953 241 E CA -0.919 55.578 56.400 0.161 0.000 0.787 241 E CB 1.890 31.687 29.700 0.163 0.000 1.307 241 E HN 0.318 nan 8.360 nan 0.000 0.458 242 C N 1.424 120.721 119.300 -0.006 0.000 3.896 242 C HA -0.097 4.362 4.460 -0.003 0.000 0.300 242 C C -1.950 172.997 174.990 -0.073 0.000 1.322 242 C CA -0.467 58.504 59.018 -0.078 0.000 2.130 242 C CB -2.620 24.991 27.740 -0.215 0.000 1.363 242 C HN 0.466 nan 8.230 nan 0.000 0.642 243 P HA 0.500 nan 4.420 nan 0.000 0.274 243 P C 0.367 177.594 177.300 -0.120 0.000 1.231 243 P CA 0.958 64.050 63.100 -0.013 0.000 0.790 243 P CB 1.156 32.915 31.700 0.097 0.000 0.951 244 G N 0.775 109.436 108.800 -0.233 0.000 2.690 244 G HA2 0.592 4.550 3.960 -0.003 0.000 0.291 244 G HA3 0.592 4.550 3.960 -0.003 0.000 0.291 244 G C -2.245 172.448 174.900 -0.345 0.000 1.403 244 G CA -0.572 44.198 45.100 -0.549 0.000 0.864 244 G HN 0.567 nan 8.290 nan 0.000 0.480 245 L N 0.805 121.822 121.223 -0.342 0.000 2.505 245 L HA 0.850 5.188 4.340 -0.003 0.000 0.266 245 L C -1.388 175.366 176.870 -0.192 0.000 0.954 245 L CA -0.819 53.895 54.840 -0.211 0.000 0.852 245 L CB 1.797 43.735 42.059 -0.201 0.000 1.282 245 L HN 0.840 nan 8.230 nan 0.000 0.403 246 V N 4.360 124.225 119.914 -0.082 0.000 3.048 246 V HA 0.530 4.648 4.120 -0.003 0.000 0.303 246 V C -1.203 174.579 176.094 -0.521 0.000 1.214 246 V CA -0.772 61.335 62.300 -0.321 0.000 0.984 246 V CB 2.437 33.994 31.823 -0.443 0.000 1.054 246 V HN 0.888 nan 8.190 nan 0.000 0.430 247 K N 5.197 124.967 120.400 -1.050 0.000 2.227 247 K HA 0.687 5.005 4.320 -0.003 0.000 0.280 247 K C -1.362 174.944 176.600 -0.489 0.000 1.041 247 K CA -0.413 55.212 56.287 -1.102 0.000 0.905 247 K CB 0.854 32.471 32.500 -1.471 0.000 1.068 247 K HN 0.666 nan 8.250 nan 0.000 0.470 248 L N 6.334 127.375 121.223 -0.304 0.000 2.354 248 L HA 0.556 4.894 4.340 -0.003 0.000 0.269 248 L C -2.169 174.665 176.870 -0.060 0.000 1.005 248 L CA -2.589 52.175 54.840 -0.125 0.000 0.819 248 L CB 2.018 44.001 42.059 -0.126 0.000 1.311 248 L HN 0.631 nan 8.230 nan 0.000 0.423 249 P HA 0.134 nan 4.420 nan 0.000 0.275 249 P C -1.081 176.230 177.300 0.019 0.000 1.228 249 P CA -0.417 62.691 63.100 0.013 0.000 0.786 249 P CB 1.487 33.208 31.700 0.036 0.000 0.927 250 L N 3.578 124.816 121.223 0.025 0.000 2.305 250 L HA 0.418 4.756 4.340 -0.003 0.000 0.284 250 L C 0.248 177.139 176.870 0.035 0.000 1.013 250 L CA 0.498 55.358 54.840 0.034 0.000 0.819 250 L CB -0.109 41.975 42.059 0.041 0.000 1.227 250 L HN 0.466 nan 8.230 nan 0.000 0.417 251 D N 2.236 122.657 120.400 0.036 0.000 3.307 251 D HA -0.280 4.358 4.640 -0.003 0.000 0.197 251 D C 0.616 176.932 176.300 0.027 0.000 1.363 251 D CA 1.675 55.694 54.000 0.032 0.000 1.100 251 D CB -0.757 40.062 40.800 0.031 0.000 0.616 251 D HN 0.736 nan 8.370 nan 0.000 0.719 252 S N -0.649 115.065 115.700 0.022 0.000 2.559 252 S HA 0.454 4.922 4.470 -0.003 0.000 0.226 252 S C 0.917 175.527 174.600 0.017 0.000 1.000 252 S CA 0.562 58.772 58.200 0.017 0.000 0.948 252 S CB 1.055 64.261 63.200 0.011 0.000 0.870 252 S HN 0.713 nan 8.310 nan 0.000 0.497 253 G N 2.121 110.934 108.800 0.021 0.000 2.829 253 G HA2 0.315 4.273 3.960 -0.003 0.000 0.173 253 G HA3 0.315 4.273 3.960 -0.003 0.000 0.173 253 G C 0.455 175.368 174.900 0.023 0.000 1.476 253 G CA -0.383 44.730 45.100 0.021 0.000 1.072 253 G HN 0.311 nan 8.290 nan 0.000 0.577 254 N N -0.159 118.556 118.700 0.026 0.000 2.282 254 N HA 0.095 4.833 4.740 -0.003 0.000 0.185 254 N C 0.948 176.477 175.510 0.033 0.000 1.099 254 N CA 0.154 53.221 53.050 0.028 0.000 0.878 254 N CB 0.273 38.777 38.487 0.029 0.000 0.993 254 N HN 0.398 nan 8.380 nan 0.000 0.481 255 S N 0.293 116.014 115.700 0.035 0.000 2.579 255 S HA 0.438 4.906 4.470 -0.003 0.000 0.275 255 S C 0.629 175.250 174.600 0.036 0.000 1.345 255 S CA -0.472 57.753 58.200 0.041 0.000 1.031 255 S CB 1.191 64.418 63.200 0.044 0.000 0.892 255 S HN 0.319 nan 8.310 nan 0.000 0.529 256 T N -1.365 113.214 114.554 0.042 0.000 2.841 256 T HA 0.726 5.075 4.350 -0.003 0.000 0.296 256 T C -1.361 173.368 174.700 0.048 0.000 1.166 256 T CA -1.104 61.007 62.100 0.018 0.000 1.007 256 T CB 1.665 70.522 68.868 -0.018 0.000 1.253 256 T HN 0.556 nan 8.240 nan 0.000 0.511 257 K N 0.082 120.494 120.400 0.021 0.000 2.508 257 K HA 0.370 4.688 4.320 -0.003 0.000 0.260 257 K C -1.649 174.987 176.600 0.061 0.000 0.949 257 K CA -0.480 55.873 56.287 0.111 0.000 0.834 257 K CB 2.401 34.976 32.500 0.126 0.000 1.365 257 K HN 0.731 nan 8.250 nan 0.000 0.437 258 W N 0.905 122.313 121.300 0.181 0.000 2.376 258 W HA 0.430 5.090 4.660 -0.000 0.000 0.322 258 W C -0.050 176.646 176.519 0.295 0.000 1.160 258 W CA -0.418 57.068 57.345 0.236 0.000 1.218 258 W CB 1.112 30.798 29.460 0.378 0.000 1.205 258 W HN 0.003 nan 8.180 nan 0.000 0.559 259 V N 5.177 125.284 119.914 0.321 0.000 2.525 259 V HA 0.362 4.480 4.120 -0.003 0.000 0.299 259 V C -0.188 175.860 176.094 -0.076 0.000 1.034 259 V CA -1.119 61.272 62.300 0.151 0.000 0.863 259 V CB 1.388 33.209 31.823 -0.003 0.000 0.999 259 V HN 0.340 nan 8.190 nan 0.000 0.423 260 I N 4.648 125.062 120.570 -0.259 0.000 2.342 260 I HA 0.391 4.559 4.170 -0.003 0.000 0.291 260 I C 0.557 176.646 176.117 -0.048 0.000 1.010 260 I CA -0.016 61.078 61.300 -0.343 0.000 1.308 260 I CB 1.824 39.377 38.000 -0.744 0.000 1.400 260 I HN 0.725 nan 8.210 nan 0.000 0.488 261 T N 2.304 116.814 114.554 -0.073 0.000 2.859 261 T HA 0.709 5.057 4.350 -0.003 0.000 0.281 261 T C -0.266 174.401 174.700 -0.055 0.000 1.005 261 T CA -0.750 61.336 62.100 -0.023 0.000 1.025 261 T CB 1.635 70.520 68.868 0.028 0.000 0.977 261 T HN 0.649 nan 8.240 nan 0.000 0.458 262 S N 0.896 116.546 115.700 -0.083 0.000 2.533 262 S HA 0.778 5.246 4.470 -0.003 0.000 0.271 262 S C -0.129 174.375 174.600 -0.160 0.000 1.143 262 S CA -0.877 57.239 58.200 -0.141 0.000 0.891 262 S CB 1.352 64.418 63.200 -0.224 0.000 1.105 262 S HN 1.226 nan 8.310 nan 0.000 0.468 263 G N 0.884 109.618 108.800 -0.110 0.000 2.488 263 G HA2 0.775 4.733 3.960 -0.003 0.000 0.318 263 G HA3 0.775 4.733 3.960 -0.003 0.000 0.318 263 G C -0.664 174.349 174.900 0.187 0.000 1.188 263 G CA -1.089 44.050 45.100 0.065 0.000 0.944 263 G HN 1.525 nan 8.290 nan 0.000 0.495 264 L N -1.378 120.100 121.223 0.425 0.000 2.434 264 L HA 0.852 5.190 4.340 -0.003 0.000 0.260 264 L C -1.499 175.560 176.870 0.314 0.000 0.983 264 L CA -1.256 53.813 54.840 0.382 0.000 0.820 264 L CB 2.711 44.945 42.059 0.291 0.000 1.361 264 L HN 0.480 nan 8.230 nan 0.000 0.410 265 N N 2.453 121.287 118.700 0.223 0.000 2.454 265 N HA 0.628 5.366 4.740 -0.003 0.000 0.291 265 N C -2.737 172.813 175.510 0.067 0.000 1.079 265 N CA -1.265 51.813 53.050 0.047 0.000 0.893 265 N CB 3.032 41.481 38.487 -0.063 0.000 1.512 265 N HN 0.504 nan 8.380 nan 0.000 0.497 266 P HA 0.302 nan 4.420 nan 0.000 0.342 266 P C 0.143 177.499 177.300 0.092 0.000 1.397 266 P CA 0.547 63.673 63.100 0.043 0.000 0.838 266 P CB 0.122 31.844 31.700 0.037 0.000 2.030 267 G N -1.844 107.005 108.800 0.081 0.000 2.149 267 G HA2 -0.103 3.855 3.960 -0.003 0.000 0.235 267 G HA3 -0.103 3.855 3.960 -0.003 0.000 0.235 267 G C 0.598 175.595 174.900 0.162 0.000 1.018 267 G CA -0.008 45.167 45.100 0.124 0.000 0.728 267 G HN 0.786 nan 8.290 nan 0.000 0.508 268 G N 0.136 108.957 108.800 0.034 0.000 2.583 268 G HA2 0.595 4.553 3.960 -0.003 0.000 0.275 268 G HA3 0.595 4.553 3.960 -0.003 0.000 0.275 268 G C -1.243 173.264 174.900 -0.655 0.000 1.342 268 G CA -0.233 44.787 45.100 -0.133 0.000 1.030 268 G HN 0.333 nan 8.290 nan 0.000 0.520 269 P HA 0.164 nan 4.420 nan 0.000 0.268 269 P C -2.582 174.281 177.300 -0.729 0.000 1.208 269 P CA -0.977 61.031 63.100 -1.820 0.000 0.777 269 P CB -0.210 30.556 31.700 -1.558 0.000 0.875 270 P HA 0.006 nan 4.420 nan 0.000 0.264 270 P C 1.112 178.429 177.300 0.029 0.000 1.183 270 P CA 1.601 64.642 63.100 -0.099 0.000 0.763 270 P CB -0.242 31.501 31.700 0.072 0.000 0.807 271 G N 1.402 110.237 108.800 0.059 0.000 2.217 271 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.246 271 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.246 271 G C 0.311 175.331 174.900 0.200 0.000 0.990 271 G CA 0.369 45.547 45.100 0.131 0.000 0.627 271 G HN 0.849 nan 8.290 nan 0.000 0.522 272 T N -1.975 112.657 114.554 0.130 0.000 2.945 272 T HA 0.736 5.084 4.350 -0.003 0.000 0.286 272 T C -0.464 174.279 174.700 0.071 0.000 1.025 272 T CA -0.361 61.831 62.100 0.152 0.000 1.039 272 T CB 2.817 71.674 68.868 -0.019 0.000 1.068 272 T HN 0.860 nan 8.240 nan 0.000 0.497 273 V N 2.228 122.204 119.914 0.104 0.000 2.407 273 V HA 0.775 4.894 4.120 -0.003 0.000 0.291 273 V C 0.876 177.000 176.094 0.051 0.000 1.018 273 V CA 0.529 62.874 62.300 0.076 0.000 0.842 273 V CB 0.330 32.215 31.823 0.104 0.000 0.996 273 V HN 1.591 nan 8.190 nan 0.000 0.426 274 G N 4.380 113.186 108.800 0.009 0.000 2.255 274 G HA2 0.031 3.990 3.960 -0.003 0.000 0.216 274 G HA3 0.031 3.990 3.960 -0.003 0.000 0.216 274 G C -0.238 174.624 174.900 -0.064 0.000 1.307 274 G CA -0.220 44.862 45.100 -0.029 0.000 1.162 274 G HN 1.175 nan 8.290 nan 0.000 0.494 275 S N -0.345 115.266 115.700 -0.149 0.000 2.632 275 S HA 0.887 5.356 4.470 -0.003 0.000 0.271 275 S C 0.465 175.012 174.600 -0.088 0.000 1.260 275 S CA 0.725 58.764 58.200 -0.267 0.000 1.010 275 S CB 1.628 64.338 63.200 -0.818 0.000 0.965 275 S HN 2.500 nan 8.310 nan 0.000 0.534 276 G N -0.168 108.723 108.800 0.152 0.000 2.488 276 G HA2 0.560 4.518 3.960 -0.003 0.000 0.301 276 G HA3 0.560 4.518 3.960 -0.003 0.000 0.301 276 G C -1.616 173.587 174.900 0.506 0.000 1.339 276 G CA -0.753 44.540 45.100 0.321 0.000 0.803 276 G HN 0.780 nan 8.290 nan 0.000 0.482 277 T N 0.885 115.718 114.554 0.464 0.000 2.841 277 T HA 0.591 4.939 4.350 -0.003 0.000 0.285 277 T C -0.035 174.799 174.700 0.222 0.000 0.991 277 T CA -0.498 61.797 62.100 0.325 0.000 0.966 277 T CB 1.517 70.602 68.868 0.361 0.000 0.962 277 T HN 0.809 nan 8.240 nan 0.000 0.438 278 Q N 2.138 121.883 119.800 -0.090 0.000 2.418 278 Q HA 0.813 5.151 4.340 -0.003 0.000 0.276 278 Q C -1.335 174.457 176.000 -0.347 0.000 1.081 278 Q CA -1.113 54.412 55.803 -0.462 0.000 0.864 278 Q CB 1.838 30.006 28.738 -0.950 0.000 1.384 278 Q HN 0.772 nan 8.270 nan 0.000 0.467 279 Y N -2.084 117.803 120.300 -0.689 0.000 2.625 279 Y HA 0.779 5.327 4.550 -0.004 0.000 0.338 279 Y C -1.980 173.444 175.900 -0.793 0.000 1.123 279 Y CA -1.574 56.196 58.100 -0.550 0.000 1.046 279 Y CB 1.496 39.798 38.460 -0.264 0.000 1.299 279 Y HN 0.559 nan 8.280 nan 0.000 0.464 280 F N 1.012 121.022 119.950 0.101 0.000 2.569 280 F HA 0.658 5.184 4.527 -0.002 0.000 0.312 280 F C -0.932 175.059 175.800 0.318 0.000 1.109 280 F CA -1.256 56.823 58.000 0.130 0.000 0.919 280 F CB 2.301 41.414 39.000 0.188 0.000 1.211 280 F HN 0.405 nan 8.300 nan 0.000 0.446 281 V N 2.277 122.468 119.914 0.461 0.000 2.435 281 V HA 0.955 5.073 4.120 -0.003 0.000 0.290 281 V C 0.202 176.493 176.094 0.328 0.000 1.030 281 V CA -0.105 62.438 62.300 0.405 0.000 0.881 281 V CB 1.027 33.019 31.823 0.283 0.000 0.983 281 V HN 1.039 nan 8.190 nan 0.000 0.445 282 G N 3.920 112.888 108.800 0.279 0.000 2.510 282 G HA2 0.528 4.486 3.960 -0.003 0.000 0.277 282 G HA3 0.528 4.486 3.960 -0.003 0.000 0.277 282 G C -1.667 173.216 174.900 -0.028 0.000 1.223 282 G CA -0.397 44.631 45.100 -0.121 0.000 0.887 282 G HN 0.441 nan 8.290 nan 0.000 0.485 283 E N -0.803 119.227 120.200 -0.285 0.000 2.312 283 E HA 0.671 5.019 4.350 -0.003 0.000 0.267 283 E C -1.927 174.596 176.600 -0.127 0.000 0.894 283 E CA -0.621 55.774 56.400 -0.008 0.000 0.773 283 E CB 2.956 32.647 29.700 -0.015 0.000 1.241 283 E HN 0.351 nan 8.360 nan 0.000 0.432 284 F N 2.388 122.101 119.950 -0.395 0.000 2.557 284 F HA 0.236 4.761 4.527 -0.004 0.000 0.316 284 F C -0.261 175.253 175.800 -0.477 0.000 1.141 284 F CA -0.994 56.649 58.000 -0.595 0.000 0.922 284 F CB 1.249 39.559 39.000 -1.150 0.000 1.194 284 F HN 0.297 nan 8.300 nan 0.000 0.443 285 D N 2.253 122.110 120.400 -0.905 0.000 2.363 285 D HA 0.316 4.954 4.640 -0.003 0.000 0.214 285 D C 1.430 177.238 176.300 -0.820 0.000 1.093 285 D CA 0.546 54.180 54.000 -0.611 0.000 0.837 285 D CB 0.486 41.090 40.800 -0.327 0.000 0.948 285 D HN 0.937 nan 8.370 nan 0.000 0.507 286 G N -0.130 107.558 108.800 -1.854 0.000 2.238 286 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.217 286 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.217 286 G C 1.121 175.468 174.900 -0.921 0.000 0.996 286 G CA 0.737 44.968 45.100 -1.448 0.000 0.632 286 G HN 0.634 nan 8.290 nan 0.000 0.503 287 T N -3.669 110.398 114.554 -0.812 0.000 3.057 287 T HA 0.420 4.768 4.350 -0.003 0.000 0.254 287 T C 0.676 175.342 174.700 -0.056 0.000 0.965 287 T CA 1.386 63.328 62.100 -0.263 0.000 0.978 287 T CB 1.012 69.788 68.868 -0.153 0.000 1.169 287 T HN 0.514 nan 8.240 nan 0.000 0.489 288 T N 2.404 116.855 114.554 -0.171 0.000 2.807 288 T HA 0.615 4.963 4.350 -0.003 0.000 0.279 288 T C -1.778 173.054 174.700 0.220 0.000 0.993 288 T CA -0.520 61.625 62.100 0.075 0.000 0.970 288 T CB 1.513 70.386 68.868 0.009 0.000 0.950 288 T HN 0.299 nan 8.240 nan 0.000 0.441 289 F N 3.307 123.405 119.950 0.248 0.000 2.391 289 F HA 0.430 4.954 4.527 -0.005 0.000 0.359 289 F C 0.172 176.048 175.800 0.126 0.000 1.122 289 F CA -0.400 57.701 58.000 0.167 0.000 1.120 289 F CB 0.687 39.655 39.000 -0.052 0.000 1.142 289 F HN 0.378 nan 8.300 nan 0.000 0.483 290 T N 8.653 122.912 114.554 -0.492 0.000 2.753 290 T HA 0.302 4.650 4.350 -0.003 0.000 0.297 290 T C -2.602 171.700 174.700 -0.664 0.000 0.981 290 T CA -1.299 60.589 62.100 -0.354 0.000 0.956 290 T CB 0.828 69.578 68.868 -0.196 0.000 0.936 290 T HN 0.359 nan 8.240 nan 0.000 0.463 291 P HA 0.213 nan 4.420 nan 0.000 0.276 291 P C -0.458 176.750 177.300 -0.154 0.000 1.230 291 P CA -0.542 62.438 63.100 -0.200 0.000 0.776 291 P CB 0.709 32.428 31.700 0.032 0.000 0.888 292 D N 1.650 121.997 120.400 -0.089 0.000 2.449 292 D HA 0.034 4.673 4.640 -0.003 0.000 0.236 292 D C 1.611 177.867 176.300 -0.074 0.000 1.149 292 D CA 0.164 54.132 54.000 -0.053 0.000 0.878 292 D CB 0.470 41.271 40.800 0.002 0.000 1.198 292 D HN 0.337 nan 8.370 nan 0.000 0.446 293 A N 2.551 125.336 122.820 -0.057 0.000 1.978 293 A HA -0.213 4.105 4.320 -0.003 0.000 0.220 293 A C 1.350 178.883 177.584 -0.085 0.000 1.170 293 A CA 1.819 53.819 52.037 -0.063 0.000 0.636 293 A CB -0.240 18.745 19.000 -0.024 0.000 0.810 293 A HN 0.648 nan 8.150 nan 0.000 0.448 294 D N -2.426 117.942 120.400 -0.055 0.000 2.342 294 D HA 0.036 4.674 4.640 -0.003 0.000 0.221 294 D C 1.089 177.310 176.300 -0.132 0.000 1.101 294 D CA 0.978 54.954 54.000 -0.041 0.000 0.837 294 D CB -0.457 40.375 40.800 0.054 0.000 0.938 294 D HN 0.205 nan 8.370 nan 0.000 0.508 295 T N -0.316 114.110 114.554 -0.213 0.000 3.037 295 T HA 0.143 4.491 4.350 -0.003 0.000 0.251 295 T C 0.522 174.853 174.700 -0.614 0.000 1.079 295 T CA 0.229 62.174 62.100 -0.259 0.000 1.067 295 T CB 0.060 68.934 68.868 0.010 0.000 0.948 295 T HN 0.162 nan 8.240 nan 0.000 0.496 296 V N 0.175 119.701 119.914 -0.647 0.000 2.581 296 V HA 0.762 4.880 4.120 -0.003 0.000 0.303 296 V C -1.378 174.298 176.094 -0.698 0.000 1.041 296 V CA -1.285 60.676 62.300 -0.564 0.000 0.907 296 V CB 0.955 32.558 31.823 -0.366 0.000 0.994 296 V HN 0.159 nan 8.190 nan 0.000 0.442 297 Y N 2.334 122.694 120.300 0.100 0.000 2.462 297 Y HA 0.718 5.266 4.550 -0.002 0.000 0.346 297 Y C -2.336 173.628 175.900 0.106 0.000 0.976 297 Y CA -2.903 55.248 58.100 0.085 0.000 1.044 297 Y CB 1.357 39.855 38.460 0.064 0.000 1.230 297 Y HN 0.501 nan 8.280 nan 0.000 0.455 298 P HA 0.255 nan 4.420 nan 0.000 0.264 298 P C 0.469 177.865 177.300 0.160 0.000 1.183 298 P CA 1.234 64.431 63.100 0.162 0.000 0.763 298 P CB 0.432 32.209 31.700 0.129 0.000 0.807 299 G N 2.956 111.833 108.800 0.130 0.000 2.512 299 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.210 299 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.210 299 G C -0.301 174.672 174.900 0.122 0.000 1.295 299 G CA 0.017 45.184 45.100 0.111 0.000 0.934 299 G HN 0.732 nan 8.290 nan 0.000 0.554 300 N N -1.241 117.526 118.700 0.112 0.000 2.387 300 N HA 0.482 5.220 4.740 -0.003 0.000 0.259 300 N C 0.549 176.136 175.510 0.129 0.000 1.369 300 N CA 0.981 54.097 53.050 0.110 0.000 0.867 300 N CB 1.127 39.650 38.487 0.059 0.000 1.341 300 N HN 0.658 nan 8.380 nan 0.000 0.495 301 S N -0.736 115.053 115.700 0.147 0.000 3.313 301 S HA 0.221 4.689 4.470 -0.003 0.000 0.247 301 S C 0.030 174.745 174.600 0.192 0.000 1.058 301 S CA 0.158 58.458 58.200 0.167 0.000 0.794 301 S CB -0.340 62.944 63.200 0.139 0.000 0.842 301 S HN 0.302 nan 8.310 nan 0.000 0.526 302 T N 2.886 117.535 114.554 0.158 0.000 2.908 302 T HA 0.547 4.896 4.350 -0.003 0.000 0.301 302 T C -0.170 174.577 174.700 0.078 0.000 1.019 302 T CA 0.581 62.742 62.100 0.102 0.000 1.152 302 T CB 0.787 69.655 68.868 -0.001 0.000 0.966 302 T HN 0.555 nan 8.240 nan 0.000 0.540 303 A N 3.534 126.280 122.820 -0.124 0.000 2.599 303 A HA 0.641 4.959 4.320 -0.003 0.000 0.290 303 A C -1.071 176.095 177.584 -0.696 0.000 1.101 303 A CA -1.243 50.519 52.037 -0.458 0.000 0.674 303 A CB 1.117 19.516 19.000 -1.001 0.000 1.277 303 A HN 0.783 nan 8.150 nan 0.000 0.419 304 N N 0.392 118.597 118.700 -0.824 0.000 2.414 304 N HA 0.424 5.162 4.740 -0.003 0.000 0.256 304 N C -1.478 173.403 175.510 -1.048 0.000 1.029 304 N CA 0.087 52.596 53.050 -0.901 0.000 0.948 304 N CB 0.585 38.255 38.487 -1.363 0.000 1.102 304 N HN 0.607 nan 8.380 nan 0.000 0.496 305 W N 2.727 123.785 121.300 -0.404 0.000 2.338 305 W HA 0.294 4.953 4.660 -0.002 0.000 0.307 305 W C 1.451 177.936 176.519 -0.057 0.000 1.167 305 W CA -0.800 56.284 57.345 -0.434 0.000 1.208 305 W CB 0.866 29.646 29.460 -1.133 0.000 1.228 305 W HN 0.521 nan 8.180 nan 0.000 0.499 306 M N 1.166 120.930 119.600 0.274 0.000 2.229 306 M HA -0.077 4.401 4.480 -0.003 0.000 0.264 306 M C -0.049 176.273 176.300 0.037 0.000 1.063 306 M CA 1.855 57.273 55.300 0.197 0.000 1.114 306 M CB 0.194 32.894 32.600 0.167 0.000 1.387 306 M HN 0.312 nan 8.290 nan 0.000 0.420 307 D N -1.979 118.445 120.400 0.040 0.000 2.947 307 D HA 0.087 4.725 4.640 -0.003 0.000 0.224 307 D C -1.135 175.127 176.300 -0.064 0.000 1.230 307 D CA -0.438 53.529 54.000 -0.054 0.000 0.871 307 D CB 0.935 41.606 40.800 -0.215 0.000 1.671 307 D HN 0.267 nan 8.370 nan 0.000 0.507 308 W N 2.020 123.286 121.300 -0.055 0.000 3.290 308 W HA 0.283 4.942 4.660 -0.002 0.000 0.287 308 W C 1.292 177.714 176.519 -0.163 0.000 1.288 308 W CA -0.212 57.071 57.345 -0.104 0.000 1.725 308 W CB 0.673 30.108 29.460 -0.040 0.000 1.103 308 W HN 0.304 nan 8.180 nan 0.000 0.670 309 G N 0.790 109.566 108.800 -0.039 0.000 2.522 309 G HA2 0.281 4.239 3.960 -0.003 0.000 0.304 309 G HA3 0.281 4.239 3.960 -0.003 0.000 0.304 309 G C -1.682 173.023 174.900 -0.324 0.000 1.210 309 G CA -0.936 44.015 45.100 -0.248 0.000 0.960 309 G HN -0.223 nan 8.290 nan 0.000 0.497 310 P HA 0.106 nan 4.420 nan 0.000 0.235 310 P C -0.121 177.078 177.300 -0.168 0.000 1.177 310 P CA 0.676 63.562 63.100 -0.356 0.000 0.785 310 P CB 0.741 32.156 31.700 -0.476 0.000 0.885 311 D N -0.113 120.210 120.400 -0.128 0.000 3.018 311 D HA 0.214 4.852 4.640 -0.003 0.000 0.331 311 D C -1.024 175.299 176.300 0.038 0.000 1.334 311 D CA -0.205 53.740 54.000 -0.092 0.000 0.900 311 D CB -0.142 40.603 40.800 -0.092 0.000 1.059 311 D HN 0.086 nan 8.370 nan 0.000 0.498 312 F N 2.226 122.142 119.950 -0.058 0.000 2.902 312 F HA 0.270 4.795 4.527 -0.003 0.000 0.368 312 F C -1.818 174.098 175.800 0.193 0.000 1.202 312 F CA -0.828 57.194 58.000 0.037 0.000 1.109 312 F CB 0.946 39.953 39.000 0.011 0.000 1.418 312 F HN -0.118 nan 8.300 nan 0.000 0.527 313 Y N 3.669 123.809 120.300 -0.265 0.000 2.609 313 Y HA 0.599 5.148 4.550 -0.002 0.000 0.342 313 Y C 0.290 176.157 175.900 -0.055 0.000 1.058 313 Y CA -0.886 57.197 58.100 -0.029 0.000 1.055 313 Y CB 2.253 40.832 38.460 0.198 0.000 1.292 313 Y HN 0.701 nan 8.280 nan 0.000 0.476 314 A N 1.501 123.795 122.820 -0.877 0.000 2.783 314 A HA -0.028 4.290 4.320 -0.003 0.000 0.292 314 A C 0.168 177.532 177.584 -0.366 0.000 1.495 314 A CA 0.852 52.513 52.037 -0.627 0.000 0.787 314 A CB -2.176 16.577 19.000 -0.411 0.000 1.017 314 A HN 1.699 nan 8.150 nan 0.000 0.516 315 A N -0.529 122.091 122.820 -0.332 0.000 2.491 315 A HA 0.647 4.965 4.320 -0.003 0.000 0.261 315 A C 0.722 178.188 177.584 -0.197 0.000 1.101 315 A CA 0.869 52.777 52.037 -0.214 0.000 0.772 315 A CB -0.028 18.990 19.000 0.031 0.000 1.043 315 A HN 2.304 nan 8.150 nan 0.000 0.501 316 A N 2.462 125.091 122.820 -0.319 0.000 2.374 316 A HA 0.818 5.136 4.320 -0.003 0.000 0.317 316 A C 0.359 177.444 177.584 -0.832 0.000 1.094 316 A CA -0.049 51.680 52.037 -0.514 0.000 0.765 316 A CB 1.330 20.147 19.000 -0.306 0.000 1.268 316 A HN 1.639 nan 8.150 nan 0.000 0.438 317 G N -0.413 107.775 108.800 -1.020 0.000 2.412 317 G HA2 0.507 4.466 3.960 -0.003 0.000 0.318 317 G HA3 0.507 4.466 3.960 -0.003 0.000 0.318 317 G C -0.953 173.927 174.900 -0.032 0.000 1.146 317 G CA -0.331 44.378 45.100 -0.651 0.000 0.882 317 G HN 0.533 nan 8.290 nan 0.000 0.501 318 Y N 0.743 121.146 120.300 0.171 0.000 2.442 318 Y HA 0.080 4.628 4.550 -0.003 0.000 0.330 318 Y C 1.280 177.420 175.900 0.399 0.000 1.129 318 Y CA 0.513 58.806 58.100 0.322 0.000 1.365 318 Y CB 0.714 39.386 38.460 0.353 0.000 1.233 318 Y HN 0.525 nan 8.280 nan 0.000 0.529 319 N N 0.797 119.811 118.700 0.523 0.000 2.483 319 N HA 0.395 5.133 4.740 -0.003 0.000 0.269 319 N C 0.572 176.398 175.510 0.526 0.000 1.209 319 N CA 0.652 54.000 53.050 0.496 0.000 0.969 319 N CB 0.792 39.520 38.487 0.401 0.000 1.173 319 N HN 0.857 nan 8.380 nan 0.000 0.475 320 G N 0.041 109.116 108.800 0.459 0.000 2.157 320 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.239 320 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.239 320 G C -0.356 174.764 174.900 0.367 0.000 0.982 320 G CA -0.270 45.087 45.100 0.430 0.000 0.650 320 G HN 0.333 nan 8.290 nan 0.000 0.527 321 L N 1.355 122.751 121.223 0.288 0.000 2.342 321 L HA 0.699 5.037 4.340 -0.003 0.000 0.271 321 L C 1.101 177.924 176.870 -0.080 0.000 1.008 321 L CA -0.585 54.298 54.840 0.072 0.000 0.818 321 L CB 1.992 44.075 42.059 0.041 0.000 1.296 321 L HN 0.326 nan 8.230 nan 0.000 0.427 322 S N 0.786 116.383 115.700 -0.173 0.000 2.655 322 S HA 0.191 4.659 4.470 -0.003 0.000 0.265 322 S C 0.876 175.211 174.600 -0.442 0.000 1.240 322 S CA -0.685 57.404 58.200 -0.184 0.000 0.986 322 S CB 1.072 64.227 63.200 -0.075 0.000 0.985 322 S HN 0.590 nan 8.310 nan 0.000 0.562 323 L N 0.946 122.055 121.223 -0.191 0.000 2.034 323 L HA -0.193 4.145 4.340 -0.003 0.000 0.217 323 L C 1.473 178.284 176.870 -0.099 0.000 1.077 323 L CA 2.042 56.829 54.840 -0.089 0.000 0.769 323 L CB -1.038 41.024 42.059 0.005 0.000 0.890 323 L HN 0.723 nan 8.230 nan 0.000 0.435 324 N N -0.641 118.014 118.700 -0.076 0.000 2.322 324 N HA 0.007 4.745 4.740 -0.003 0.000 0.194 324 N C 0.124 175.698 175.510 0.107 0.000 1.126 324 N CA 0.518 53.587 53.050 0.032 0.000 0.845 324 N CB 0.079 38.589 38.487 0.039 0.000 0.976 324 N HN 0.481 nan 8.380 nan 0.000 0.475 325 D N -0.740 119.599 120.400 -0.102 0.000 2.513 325 D HA 0.052 4.691 4.640 -0.003 0.000 0.222 325 D C 0.000 176.205 176.300 -0.158 0.000 1.210 325 D CA -0.187 53.779 54.000 -0.056 0.000 0.825 325 D CB 0.268 41.000 40.800 -0.115 0.000 1.037 325 D HN 0.157 nan 8.370 nan 0.000 0.506 326 H N 0.569 119.547 119.070 -0.154 0.000 2.928 326 H HA 0.206 4.760 4.556 -0.004 0.000 0.338 326 H C 0.134 175.379 175.328 -0.137 0.000 1.047 326 H CA 0.473 56.459 56.048 -0.104 0.000 1.435 326 H CB 1.298 31.002 29.762 -0.098 0.000 1.428 326 H HN -0.200 nan 8.280 nan 0.000 0.590 327 V N 4.409 124.464 119.914 0.236 0.000 2.638 327 V HA 0.112 4.230 4.120 -0.003 0.000 0.306 327 V C -0.424 175.939 176.094 0.448 0.000 1.052 327 V CA -0.731 61.719 62.300 0.250 0.000 0.885 327 V CB 1.834 33.743 31.823 0.145 0.000 0.999 327 V HN 0.733 nan 8.190 nan 0.000 0.424 328 H N 3.497 122.681 119.070 0.190 0.000 2.472 328 H HA 0.695 5.249 4.556 -0.003 0.000 0.338 328 H C -0.479 174.987 175.328 0.230 0.000 1.133 328 H CA -0.459 55.696 56.048 0.178 0.000 1.216 328 H CB 1.627 31.464 29.762 0.125 0.000 1.497 328 H HN 0.508 nan 8.280 nan 0.000 0.500 329 I N 1.761 122.451 120.570 0.201 0.000 2.474 329 I HA 0.463 4.632 4.170 -0.003 0.000 0.294 329 I C 0.583 176.695 176.117 -0.008 0.000 1.005 329 I CA -0.618 60.777 61.300 0.157 0.000 1.113 329 I CB 2.039 40.114 38.000 0.125 0.000 1.289 329 I HN 0.616 nan 8.210 nan 0.000 0.436 330 G N 3.862 112.608 108.800 -0.090 0.000 2.473 330 G HA2 0.371 4.329 3.960 -0.003 0.000 0.321 330 G HA3 0.371 4.329 3.960 -0.003 0.000 0.321 330 G C -2.046 172.721 174.900 -0.222 0.000 1.200 330 G CA -0.452 44.333 45.100 -0.525 0.000 0.963 330 G HN 0.571 nan 8.290 nan 0.000 0.483 331 W N 2.871 123.935 121.300 -0.393 0.000 2.345 331 W HA 0.490 5.149 4.660 -0.002 0.000 0.308 331 W C 0.560 176.961 176.519 -0.196 0.000 1.273 331 W CA -1.225 55.975 57.345 -0.243 0.000 1.243 331 W CB 1.180 30.518 29.460 -0.204 0.000 1.260 331 W HN 0.281 nan 8.180 nan 0.000 0.509 332 M N 7.529 126.929 119.600 -0.333 0.000 3.561 332 M HA 0.131 4.609 4.480 -0.003 0.000 0.230 332 M C -0.789 175.143 176.300 -0.613 0.000 1.387 332 M CA 0.423 55.522 55.300 -0.335 0.000 1.570 332 M CB -0.901 31.602 32.600 -0.163 0.000 1.057 332 M HN 0.498 nan 8.290 nan 0.000 0.607 333 N N 0.400 118.516 118.700 -0.973 0.000 3.106 333 N HA 0.443 5.182 4.740 -0.003 0.000 0.253 333 N C -2.121 172.789 175.510 -1.000 0.000 1.506 333 N CA -0.618 51.758 53.050 -1.124 0.000 0.876 333 N CB 1.528 38.880 38.487 -1.891 0.000 1.452 333 N HN 0.377 nan 8.380 nan 0.000 0.542 334 N N 0.168 118.331 118.700 -0.895 0.000 2.336 334 N HA 0.235 4.973 4.740 -0.003 0.000 0.290 334 N C -0.016 175.153 175.510 -0.569 0.000 1.058 334 N CA -0.362 52.263 53.050 -0.709 0.000 0.865 334 N CB 0.764 38.741 38.487 -0.849 0.000 1.581 334 N HN 0.678 nan 8.380 nan 0.000 0.480 335 W N 1.453 122.650 121.300 -0.172 0.000 2.421 335 W HA -0.142 4.516 4.660 -0.004 0.000 0.270 335 W C 2.183 178.632 176.519 -0.116 0.000 1.233 335 W CA 0.480 57.811 57.345 -0.023 0.000 1.226 335 W CB 0.286 29.721 29.460 -0.042 0.000 1.121 335 W HN 0.660 nan 8.180 nan 0.000 0.579 336 Q N 0.668 120.446 119.800 -0.036 0.000 2.061 336 Q HA -0.252 4.086 4.340 -0.003 0.000 0.204 336 Q C 1.400 177.466 176.000 0.110 0.000 0.984 336 Q CA 2.315 58.126 55.803 0.013 0.000 0.846 336 Q CB -0.646 28.102 28.738 0.016 0.000 0.902 336 Q HN 0.587 nan 8.270 nan 0.000 0.421 337 Y N -4.341 116.082 120.300 0.205 0.000 2.672 337 Y HA 0.619 5.167 4.550 -0.003 0.000 0.252 337 Y C 1.460 177.456 175.900 0.160 0.000 1.132 337 Y CA -0.351 57.884 58.100 0.224 0.000 1.228 337 Y CB -0.504 38.165 38.460 0.349 0.000 1.310 337 Y HN -0.011 nan 8.280 nan 0.000 0.549 338 G N 1.274 110.132 108.800 0.096 0.000 2.450 338 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.220 338 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.220 338 G C 1.669 176.768 174.900 0.332 0.000 1.130 338 G CA 1.101 46.282 45.100 0.136 0.000 0.760 338 G HN 0.568 nan 8.290 nan 0.000 0.557 339 A N 0.579 123.575 122.820 0.294 0.000 2.121 339 A HA 0.025 4.343 4.320 -0.003 0.000 0.218 339 A C 1.935 179.570 177.584 0.084 0.000 1.154 339 A CA 1.336 53.487 52.037 0.190 0.000 0.679 339 A CB -0.113 18.934 19.000 0.077 0.000 0.795 339 A HN 0.352 nan 8.150 nan 0.000 0.458 340 N N -0.135 118.581 118.700 0.026 0.000 2.184 340 N HA 0.166 4.904 4.740 -0.003 0.000 0.206 340 N C 0.354 175.493 175.510 -0.618 0.000 1.151 340 N CA -0.052 52.916 53.050 -0.137 0.000 0.878 340 N CB 0.145 38.663 38.487 0.051 0.000 1.014 340 N HN 0.722 nan 8.380 nan 0.000 0.512 341 I N -0.045 120.114 120.570 -0.685 0.000 2.752 341 I HA 0.197 4.365 4.170 -0.003 0.000 0.287 341 I C -1.861 173.634 176.117 -1.036 0.000 1.188 341 I CA -1.334 59.185 61.300 -1.301 0.000 1.427 341 I CB 0.360 37.910 38.000 -0.750 0.000 1.365 341 I HN -0.211 nan 8.210 nan 0.000 0.585 342 P HA 0.093 nan 4.420 nan 0.000 0.218 342 P C -0.322 176.795 177.300 -0.306 0.000 1.793 342 P CA -0.124 62.607 63.100 -0.615 0.000 0.941 342 P CB -0.706 30.701 31.700 -0.488 0.000 1.919 343 T N -1.579 112.728 114.554 -0.412 0.000 2.902 343 T HA 0.571 4.919 4.350 -0.003 0.000 0.283 343 T C -1.133 173.305 174.700 -0.436 0.000 1.009 343 T CA -0.794 60.968 62.100 -0.563 0.000 1.051 343 T CB 1.676 69.831 68.868 -1.188 0.000 0.999 343 T HN 0.138 nan 8.240 nan 0.000 0.474 344 Y N 2.908 122.908 120.300 -0.499 0.000 2.482 344 Y HA 0.460 5.008 4.550 -0.003 0.000 0.334 344 Y C -2.457 173.554 175.900 0.185 0.000 1.091 344 Y CA -2.079 55.931 58.100 -0.150 0.000 1.027 344 Y CB 2.487 40.913 38.460 -0.057 0.000 1.306 344 Y HN 0.497 nan 8.280 nan 0.000 0.446 345 P HA 0.068 nan 4.420 nan 0.000 0.255 345 P C -0.619 176.549 177.300 -0.221 0.000 1.248 345 P CA 0.498 63.033 63.100 -0.941 0.000 0.807 345 P CB -0.096 31.161 31.700 -0.738 0.000 1.150 346 W N 0.935 122.121 121.300 -0.189 0.000 2.485 346 W HA 0.693 5.351 4.660 -0.003 0.000 0.364 346 W C -0.633 175.875 176.519 -0.018 0.000 1.171 346 W CA -1.310 55.980 57.345 -0.093 0.000 1.304 346 W CB 0.934 30.314 29.460 -0.133 0.000 1.335 346 W HN -0.343 nan 8.180 nan 0.000 0.643 347 R N 2.747 123.099 120.500 -0.246 0.000 2.510 347 R HA 0.512 4.850 4.340 -0.003 0.000 0.294 347 R C -1.409 174.775 176.300 -0.194 0.000 1.056 347 R CA -0.327 55.549 56.100 -0.373 0.000 0.918 347 R CB 1.322 31.616 30.300 -0.010 0.000 1.187 347 R HN 0.847 nan 8.270 nan 0.000 0.437 348 S N 0.656 116.293 115.700 -0.105 0.000 2.941 348 S HA 0.156 4.624 4.470 -0.003 0.000 0.848 348 S C -1.456 173.210 174.600 0.110 0.000 0.920 348 S CA -0.266 57.896 58.200 -0.064 0.000 1.411 348 S CB -0.582 62.527 63.200 -0.150 0.000 1.008 348 S HN 0.950 nan 8.310 nan 0.000 0.232 349 A N 3.193 126.006 122.820 -0.012 0.000 2.527 349 A HA 0.911 5.229 4.320 -0.003 0.000 0.293 349 A C -0.622 176.951 177.584 -0.018 0.000 1.117 349 A CA -0.819 51.202 52.037 -0.026 0.000 0.723 349 A CB 0.903 19.886 19.000 -0.028 0.000 1.313 349 A HN 0.612 nan 8.150 nan 0.000 0.411 350 M N 1.042 120.671 119.600 0.048 0.000 2.291 350 M HA 0.545 5.023 4.480 -0.003 0.000 0.324 350 M C 0.768 177.170 176.300 0.170 0.000 1.148 350 M CA -0.379 54.972 55.300 0.084 0.000 1.104 350 M CB 0.896 33.528 32.600 0.053 0.000 1.483 350 M HN 0.902 nan 8.290 nan 0.000 0.467 351 A N 1.972 124.911 122.820 0.199 0.000 2.280 351 A HA 0.575 4.893 4.320 -0.003 0.000 0.268 351 A C 0.181 177.980 177.584 0.358 0.000 1.111 351 A CA -0.606 51.648 52.037 0.361 0.000 0.814 351 A CB 0.043 19.297 19.000 0.424 0.000 1.093 351 A HN 0.802 nan 8.150 nan 0.000 0.498 352 I N 1.443 122.205 120.570 0.320 0.000 2.752 352 I HA 0.048 4.216 4.170 -0.003 0.000 0.289 352 I C -1.910 174.344 176.117 0.227 0.000 1.197 352 I CA -0.984 60.409 61.300 0.156 0.000 1.432 352 I CB 0.412 38.518 38.000 0.176 0.000 1.359 352 I HN 0.368 nan 8.210 nan 0.000 0.571 353 P HA 0.038 nan 4.420 nan 0.000 0.266 353 P C -0.974 176.444 177.300 0.198 0.000 1.195 353 P CA 0.026 63.237 63.100 0.184 0.000 0.768 353 P CB 0.448 32.202 31.700 0.090 0.000 0.838 354 R N 2.273 122.925 120.500 0.252 0.000 2.337 354 R HA 0.263 4.601 4.340 -0.003 0.000 0.319 354 R C 0.125 176.541 176.300 0.194 0.000 0.954 354 R CA -0.592 55.656 56.100 0.246 0.000 0.840 354 R CB 0.324 30.778 30.300 0.257 0.000 1.164 354 R HN 0.656 nan 8.270 nan 0.000 0.472 355 H N 4.564 123.685 119.070 0.085 0.000 2.848 355 H HA 0.131 4.686 4.556 -0.002 0.000 0.341 355 H C -0.698 174.660 175.328 0.050 0.000 1.060 355 H CA 0.475 56.557 56.048 0.057 0.000 1.444 355 H CB 0.784 30.552 29.762 0.010 0.000 1.446 355 H HN 0.261 nan 8.280 nan 0.000 0.583 356 M N 3.843 123.172 119.600 -0.453 0.000 2.243 356 M HA 0.524 5.003 4.480 -0.003 0.000 0.324 356 M C -0.398 175.777 176.300 -0.207 0.000 1.031 356 M CA -0.596 54.559 55.300 -0.241 0.000 0.949 356 M CB 1.325 33.785 32.600 -0.232 0.000 1.615 356 M HN 0.694 nan 8.290 nan 0.000 0.430 357 A N 3.463 126.250 122.820 -0.055 0.000 2.581 357 A HA 0.928 5.246 4.320 -0.003 0.000 0.290 357 A C -1.857 175.715 177.584 -0.020 0.000 1.119 357 A CA -0.718 51.323 52.037 0.008 0.000 0.670 357 A CB 1.653 20.736 19.000 0.138 0.000 1.280 357 A HN 0.758 nan 8.150 nan 0.000 0.425 358 L N 0.705 121.929 121.223 0.002 0.000 2.342 358 L HA 0.630 4.968 4.340 -0.003 0.000 0.271 358 L C -0.410 176.481 176.870 0.036 0.000 1.008 358 L CA -0.835 54.011 54.840 0.010 0.000 0.818 358 L CB 2.019 44.089 42.059 0.019 0.000 1.296 358 L HN 0.561 nan 8.230 nan 0.000 0.427 359 K N 0.988 121.415 120.400 0.046 0.000 2.426 359 K HA 0.438 4.756 4.320 -0.003 0.000 0.251 359 K C -1.003 175.634 176.600 0.062 0.000 0.941 359 K CA -0.738 55.579 56.287 0.050 0.000 0.808 359 K CB 2.293 34.821 32.500 0.047 0.000 1.265 359 K HN 0.416 nan 8.250 nan 0.000 0.432 360 T N 2.899 117.487 114.554 0.057 0.000 2.727 360 T HA 0.393 4.741 4.350 -0.003 0.000 0.295 360 T C 0.348 175.084 174.700 0.060 0.000 0.915 360 T CA -0.064 62.073 62.100 0.062 0.000 1.066 360 T CB -0.357 68.543 68.868 0.054 0.000 0.891 360 T HN 0.280 nan 8.240 nan 0.000 0.516 361 I N 2.102 122.715 120.570 0.072 0.000 2.447 361 I HA 0.456 4.624 4.170 -0.003 0.000 0.287 361 I C 0.961 177.122 176.117 0.073 0.000 1.023 361 I CA -0.703 60.638 61.300 0.069 0.000 1.083 361 I CB 1.760 39.806 38.000 0.076 0.000 1.245 361 I HN 0.781 nan 8.210 nan 0.000 0.434 362 G N 4.140 112.977 108.800 0.062 0.000 2.323 362 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.292 362 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.292 362 G C 0.602 175.542 174.900 0.066 0.000 1.040 362 G CA 0.590 45.727 45.100 0.061 0.000 0.942 362 G HN 0.811 nan 8.290 nan 0.000 0.506 363 S N -2.401 113.336 115.700 0.061 0.000 3.084 363 S HA -0.227 4.241 4.470 -0.003 0.000 0.277 363 S C 0.680 175.323 174.600 0.072 0.000 1.295 363 S CA 2.457 60.694 58.200 0.061 0.000 1.170 363 S CB -1.081 62.154 63.200 0.057 0.000 1.412 363 S HN 1.932 nan 8.310 nan 0.000 0.669 364 K N -0.066 120.385 120.400 0.085 0.000 2.426 364 K HA 0.819 5.137 4.320 -0.003 0.000 0.251 364 K C -0.448 176.218 176.600 0.109 0.000 0.941 364 K CA -0.417 55.931 56.287 0.100 0.000 0.808 364 K CB 1.940 34.512 32.500 0.119 0.000 1.265 364 K HN 0.193 nan 8.250 nan 0.000 0.432 365 A N 2.299 125.187 122.820 0.114 0.000 2.491 365 A HA 0.298 4.616 4.320 -0.003 0.000 0.261 365 A C -0.566 177.117 177.584 0.164 0.000 1.101 365 A CA 0.200 52.310 52.037 0.120 0.000 0.772 365 A CB -0.301 18.769 19.000 0.116 0.000 1.043 365 A HN 0.676 nan 8.150 nan 0.000 0.501 366 T N 3.242 117.884 114.554 0.146 0.000 2.861 366 T HA 0.427 4.775 4.350 -0.003 0.000 0.287 366 T C -0.326 174.430 174.700 0.093 0.000 1.003 366 T CA -0.458 61.755 62.100 0.188 0.000 0.977 366 T CB 1.212 70.182 68.868 0.169 0.000 0.996 366 T HN 0.612 nan 8.240 nan 0.000 0.448 367 L N 5.094 126.320 121.223 0.004 0.000 2.455 367 L HA 0.513 4.851 4.340 -0.003 0.000 0.272 367 L C -0.350 176.475 176.870 -0.075 0.000 1.174 367 L CA 0.110 54.809 54.840 -0.234 0.000 0.869 367 L CB 0.202 41.776 42.059 -0.809 0.000 1.130 367 L HN 0.523 nan 8.230 nan 0.000 0.474 368 V N 2.724 122.613 119.914 -0.043 0.000 2.540 368 V HA 0.665 4.783 4.120 -0.003 0.000 0.302 368 V C -0.539 175.587 176.094 0.055 0.000 1.035 368 V CA -0.730 61.589 62.300 0.032 0.000 0.873 368 V CB 1.481 33.339 31.823 0.059 0.000 0.992 368 V HN 0.867 nan 8.190 nan 0.000 0.428 369 Q N 2.576 122.444 119.800 0.113 0.000 2.348 369 Q HA 0.668 5.007 4.340 -0.003 0.000 0.271 369 Q C -1.184 174.965 176.000 0.249 0.000 1.067 369 Q CA -0.839 55.072 55.803 0.181 0.000 0.839 369 Q CB 2.593 31.441 28.738 0.184 0.000 1.354 369 Q HN 0.739 nan 8.270 nan 0.000 0.447 370 Q N 1.551 121.464 119.800 0.188 0.000 2.375 370 Q HA 0.420 4.758 4.340 -0.003 0.000 0.271 370 Q C -2.523 173.412 176.000 -0.108 0.000 1.074 370 Q CA -2.188 53.600 55.803 -0.024 0.000 0.808 370 Q CB 2.126 30.831 28.738 -0.055 0.000 1.327 370 Q HN 0.396 nan 8.270 nan 0.000 0.441 371 P HA 0.042 nan 4.420 nan 0.000 0.274 371 P C -0.533 176.821 177.300 0.091 0.000 1.291 371 P CA -0.205 62.681 63.100 -0.357 0.000 0.815 371 P CB 0.440 31.561 31.700 -0.966 0.000 0.897 372 Q N 3.221 123.041 119.800 0.035 0.000 2.673 372 Q HA 0.218 4.556 4.340 -0.003 0.000 0.224 372 Q C -0.503 175.281 176.000 -0.360 0.000 1.226 372 Q CA 0.153 55.903 55.803 -0.090 0.000 1.019 372 Q CB 0.103 28.813 28.738 -0.047 0.000 1.312 372 Q HN 0.401 nan 8.270 nan 0.000 0.566 373 E N 0.459 120.176 120.200 -0.806 0.000 2.423 373 E HA 0.689 5.037 4.350 -0.003 0.000 0.269 373 E C -1.120 174.758 176.600 -1.203 0.000 0.948 373 E CA -1.259 54.399 56.400 -1.236 0.000 0.802 373 E CB 1.371 29.992 29.700 -1.800 0.000 1.339 373 E HN 0.392 nan 8.360 nan 0.000 0.445 374 A N 0.943 123.250 122.820 -0.856 0.000 3.004 374 A HA 0.122 4.440 4.320 -0.003 0.000 0.286 374 A C -0.022 177.331 177.584 -0.384 0.000 1.632 374 A CA -0.243 51.498 52.037 -0.492 0.000 1.339 374 A CB -1.081 17.740 19.000 -0.298 0.000 1.136 374 A HN 0.704 nan 8.150 nan 0.000 0.577 375 W N 0.984 122.195 121.300 -0.148 0.000 2.363 375 W HA -0.241 4.417 4.660 -0.003 0.000 0.296 375 W C 2.517 178.963 176.519 -0.122 0.000 1.212 375 W CA 1.360 58.617 57.345 -0.146 0.000 1.260 375 W CB -0.128 29.254 29.460 -0.130 0.000 1.131 375 W HN 0.743 nan 8.180 nan 0.000 0.530 376 S N -0.087 115.665 115.700 0.087 0.000 2.442 376 S HA -0.227 4.241 4.470 -0.003 0.000 0.236 376 S C 1.806 176.414 174.600 0.014 0.000 1.007 376 S CA 1.387 59.606 58.200 0.031 0.000 0.965 376 S CB -1.062 62.138 63.200 0.000 0.000 0.773 376 S HN 0.275 nan 8.310 nan 0.000 0.504 377 S N 2.097 117.796 115.700 -0.002 0.000 2.481 377 S HA 0.108 4.576 4.470 -0.003 0.000 0.231 377 S C 1.539 176.163 174.600 0.040 0.000 0.996 377 S CA 0.530 58.739 58.200 0.015 0.000 0.942 377 S CB -0.835 62.396 63.200 0.052 0.000 0.768 377 S HN 0.924 nan 8.310 nan 0.000 0.520 378 I N -3.061 117.526 120.570 0.028 0.000 4.541 378 I HA 0.511 4.679 4.170 -0.003 0.000 0.337 378 I C 0.005 176.151 176.117 0.047 0.000 1.338 378 I CA -0.595 60.722 61.300 0.028 0.000 1.244 378 I CB 0.745 38.721 38.000 -0.040 0.000 1.417 378 I HN 0.172 nan 8.210 nan 0.000 0.501 379 S N 1.587 117.324 115.700 0.063 0.000 2.668 379 S HA 0.366 4.834 4.470 -0.003 0.000 0.277 379 S C -1.163 173.466 174.600 0.048 0.000 1.170 379 S CA -0.580 57.658 58.200 0.063 0.000 0.994 379 S CB 1.506 64.738 63.200 0.055 0.000 1.051 379 S HN 0.364 nan 8.310 nan 0.000 0.484 380 N N 2.902 121.645 118.700 0.072 0.000 2.513 380 N HA 0.254 4.993 4.740 -0.003 0.000 0.274 380 N C 0.635 176.201 175.510 0.094 0.000 1.189 380 N CA -0.131 52.959 53.050 0.068 0.000 0.975 380 N CB 0.886 39.417 38.487 0.074 0.000 1.157 380 N HN 0.629 nan 8.380 nan 0.000 0.465 381 K N 0.826 121.256 120.400 0.051 0.000 2.486 381 K HA 0.081 4.400 4.320 -0.003 0.000 0.194 381 K C 0.090 176.825 176.600 0.226 0.000 1.033 381 K CA 0.269 56.595 56.287 0.064 0.000 1.004 381 K CB 0.281 32.770 32.500 -0.018 0.000 0.798 381 K HN 0.225 nan 8.250 nan 0.000 0.495 382 R N 2.318 122.915 120.500 0.162 0.000 2.343 382 R HA 0.100 4.438 4.340 -0.003 0.000 0.326 382 R C -2.428 173.939 176.300 0.112 0.000 1.055 382 R CA -1.859 54.310 56.100 0.115 0.000 0.961 382 R CB 0.024 30.357 30.300 0.055 0.000 0.978 382 R HN 0.107 nan 8.270 nan 0.000 0.443 383 P HA 0.038 nan 4.420 nan 0.000 0.271 383 P C 0.998 178.193 177.300 -0.174 0.000 1.218 383 P CA -0.050 62.828 63.100 -0.370 0.000 0.780 383 P CB 0.539 31.913 31.700 -0.544 0.000 0.901 384 I N -0.783 119.697 120.570 -0.150 0.000 2.928 384 I HA 0.134 4.302 4.170 -0.003 0.000 0.266 384 I C 0.149 176.270 176.117 0.006 0.000 1.234 384 I CA 0.698 61.967 61.300 -0.051 0.000 1.483 384 I CB -0.290 37.692 38.000 -0.030 0.000 1.097 384 I HN 0.139 nan 8.210 nan 0.000 0.455 385 Y N 0.702 120.880 120.300 -0.204 0.000 2.401 385 Y HA 0.612 5.160 4.550 -0.003 0.000 0.330 385 Y C -1.182 174.608 175.900 -0.183 0.000 1.071 385 Y CA -0.810 57.194 58.100 -0.158 0.000 1.049 385 Y CB 1.800 40.180 38.460 -0.133 0.000 1.239 385 Y HN -0.019 nan 8.280 nan 0.000 0.437 386 S N 6.496 121.831 115.700 -0.607 0.000 2.614 386 S HA 0.783 5.251 4.470 -0.003 0.000 0.275 386 S C -1.826 172.441 174.600 -0.556 0.000 1.161 386 S CA -0.712 57.216 58.200 -0.452 0.000 0.969 386 S CB 0.790 63.822 63.200 -0.281 0.000 1.059 386 S HN 0.677 nan 8.310 nan 0.000 0.482 387 R N 1.742 121.996 120.500 -0.410 0.000 2.698 387 R HA 0.616 4.955 4.340 -0.003 0.000 0.275 387 R C -0.999 175.082 176.300 -0.364 0.000 1.001 387 R CA -0.689 55.141 56.100 -0.450 0.000 0.896 387 R CB 1.503 31.556 30.300 -0.412 0.000 1.218 387 R HN 0.807 nan 8.270 nan 0.000 0.462 388 T N -1.350 112.881 114.554 -0.539 0.000 2.876 388 T HA 0.792 5.140 4.350 -0.003 0.000 0.289 388 T C -0.701 173.615 174.700 -0.640 0.000 1.014 388 T CA -0.619 61.255 62.100 -0.376 0.000 0.986 388 T CB 1.072 69.817 68.868 -0.206 0.000 1.021 388 T HN 0.309 nan 8.240 nan 0.000 0.458 389 F N 1.372 121.301 119.950 -0.034 0.000 2.579 389 F HA 0.516 5.041 4.527 -0.003 0.000 0.325 389 F C 1.212 176.984 175.800 -0.047 0.000 1.162 389 F CA -1.292 56.685 58.000 -0.039 0.000 0.946 389 F CB 2.343 41.319 39.000 -0.040 0.000 1.211 389 F HN 0.701 nan 8.300 nan 0.000 0.447 390 K N 0.935 121.397 120.400 0.103 0.000 2.097 390 K HA -0.006 4.312 4.320 -0.003 0.000 0.206 390 K C -0.046 176.583 176.600 0.049 0.000 1.049 390 K CA 1.464 57.782 56.287 0.051 0.000 0.933 390 K CB 0.123 32.635 32.500 0.020 0.000 0.717 390 K HN 0.624 nan 8.250 nan 0.000 0.442 391 T N 1.312 115.911 114.554 0.075 0.000 3.078 391 T HA 0.247 4.595 4.350 -0.003 0.000 0.328 391 T C -1.558 173.152 174.700 0.016 0.000 0.987 391 T CA -0.737 61.374 62.100 0.019 0.000 1.049 391 T CB 1.154 70.021 68.868 -0.002 0.000 1.011 391 T HN 0.076 nan 8.240 nan 0.000 0.463 392 L N 3.755 124.925 121.223 -0.088 0.000 2.361 392 L HA 0.473 4.811 4.340 -0.003 0.000 0.278 392 L C 0.464 177.214 176.870 -0.199 0.000 1.113 392 L CA 0.301 54.957 54.840 -0.307 0.000 0.849 392 L CB 0.370 42.122 42.059 -0.513 0.000 1.155 392 L HN 0.542 nan 8.230 nan 0.000 0.452 393 S N 3.590 119.186 115.700 -0.173 0.000 2.563 393 S HA 0.007 4.475 4.470 -0.003 0.000 0.284 393 S C 0.128 174.670 174.600 -0.096 0.000 1.331 393 S CA -0.331 57.807 58.200 -0.103 0.000 1.047 393 S CB 0.156 63.309 63.200 -0.077 0.000 0.859 393 S HN 0.731 nan 8.310 nan 0.000 0.514 394 E N 0.731 120.894 120.200 -0.061 0.000 2.481 394 E HA 0.307 4.656 4.350 -0.003 0.000 0.263 394 E C 0.839 177.409 176.600 -0.051 0.000 0.992 394 E CA 0.738 57.112 56.400 -0.043 0.000 0.938 394 E CB 0.008 29.689 29.700 -0.032 0.000 0.933 394 E HN 0.821 nan 8.360 nan 0.000 0.453 395 G N 2.472 111.245 108.800 -0.046 0.000 2.451 395 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.208 395 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.208 395 G C -0.878 173.970 174.900 -0.087 0.000 1.248 395 G CA -0.255 44.807 45.100 -0.063 0.000 0.989 395 G HN 0.628 nan 8.290 nan 0.000 0.559 396 S N 0.291 115.923 115.700 -0.113 0.000 2.501 396 S HA 0.773 5.241 4.470 -0.003 0.000 0.301 396 S C 0.617 175.135 174.600 -0.137 0.000 1.096 396 S CA 0.218 58.323 58.200 -0.158 0.000 1.063 396 S CB 1.602 64.659 63.200 -0.238 0.000 1.042 396 S HN 1.496 nan 8.310 nan 0.000 0.494 397 T N 0.643 115.120 114.554 -0.127 0.000 2.788 397 T HA 0.326 4.674 4.350 -0.003 0.000 0.287 397 T C 0.241 174.902 174.700 -0.064 0.000 1.007 397 T CA -0.719 61.347 62.100 -0.056 0.000 1.005 397 T CB 0.172 69.058 68.868 0.031 0.000 1.012 397 T HN 0.447 nan 8.240 nan 0.000 0.530 398 N N 0.359 119.067 118.700 0.014 0.000 2.482 398 N HA 0.132 4.870 4.740 -0.003 0.000 0.260 398 N C -0.027 175.506 175.510 0.038 0.000 1.236 398 N CA 0.144 53.207 53.050 0.021 0.000 0.938 398 N CB 0.716 39.238 38.487 0.058 0.000 1.128 398 N HN 0.805 nan 8.380 nan 0.000 0.448 399 T N 1.058 115.661 114.554 0.082 0.000 2.934 399 T HA 0.079 4.427 4.350 -0.003 0.000 0.306 399 T C -0.111 174.641 174.700 0.087 0.000 1.042 399 T CA 0.454 62.663 62.100 0.183 0.000 1.145 399 T CB -0.180 68.857 68.868 0.282 0.000 0.982 399 T HN 0.463 nan 8.240 nan 0.000 0.544 400 T N 3.318 117.871 114.554 -0.003 0.000 2.907 400 T HA 0.547 4.895 4.350 -0.003 0.000 0.292 400 T C -0.596 174.049 174.700 -0.091 0.000 1.043 400 T CA -0.626 61.412 62.100 -0.103 0.000 1.003 400 T CB 1.324 69.935 68.868 -0.428 0.000 1.084 400 T HN 0.650 nan 8.240 nan 0.000 0.483 401 T N 2.523 117.024 114.554 -0.088 0.000 2.767 401 T HA 0.387 4.735 4.350 -0.003 0.000 0.288 401 T C 1.365 175.923 174.700 -0.236 0.000 0.963 401 T CA -0.425 61.581 62.100 -0.158 0.000 1.019 401 T CB 1.117 69.921 68.868 -0.107 0.000 0.923 401 T HN 0.809 nan 8.240 nan 0.000 0.468 402 T N -0.122 114.224 114.554 -0.346 0.000 2.990 402 T HA 0.486 4.834 4.350 -0.003 0.000 0.250 402 T C 1.248 175.803 174.700 -0.242 0.000 1.041 402 T CA 0.270 62.067 62.100 -0.504 0.000 1.010 402 T CB -0.174 67.953 68.868 -1.235 0.000 1.003 402 T HN 1.031 nan 8.240 nan 0.000 0.499 403 G N 1.882 110.604 108.800 -0.129 0.000 2.697 403 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.240 403 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.240 403 G C 0.243 175.267 174.900 0.207 0.000 1.346 403 G CA 0.199 45.314 45.100 0.025 0.000 0.887 403 G HN 0.420 nan 8.290 nan 0.000 0.569 404 E N -0.373 119.974 120.200 0.245 0.000 2.400 404 E HA 0.193 4.541 4.350 -0.003 0.000 0.195 404 E C 1.033 177.822 176.600 0.314 0.000 1.012 404 E CA 1.005 57.574 56.400 0.281 0.000 0.875 404 E CB 0.323 30.135 29.700 0.186 0.000 0.859 404 E HN 0.764 nan 8.360 nan 0.000 0.498 405 T N -0.280 114.508 114.554 0.390 0.000 2.864 405 T HA 0.567 4.915 4.350 -0.003 0.000 0.299 405 T C -0.559 174.384 174.700 0.404 0.000 1.011 405 T CA -0.945 61.373 62.100 0.363 0.000 0.975 405 T CB 0.185 69.284 68.868 0.387 0.000 0.962 405 T HN 0.125 nan 8.240 nan 0.000 0.448 406 F N -0.885 119.183 119.950 0.197 0.000 2.770 406 F HA 0.755 5.280 4.527 -0.003 0.000 0.313 406 F C -1.522 174.266 175.800 -0.020 0.000 1.154 406 F CA -1.371 56.666 58.000 0.062 0.000 0.923 406 F CB 1.545 40.567 39.000 0.036 0.000 1.301 406 F HN 0.619 nan 8.300 nan 0.000 0.449 407 K N 1.741 122.166 120.400 0.042 0.000 2.259 407 K HA 0.816 5.134 4.320 -0.003 0.000 0.252 407 K C -2.051 174.594 176.600 0.075 0.000 0.936 407 K CA -0.849 55.259 56.287 -0.298 0.000 0.810 407 K CB 2.325 34.383 32.500 -0.736 0.000 1.143 407 K HN 0.703 nan 8.250 nan 0.000 0.427 408 V N 3.255 123.171 119.914 0.003 0.000 2.487 408 V HA 0.270 4.388 4.120 -0.003 0.000 0.298 408 V C -0.979 175.144 176.094 0.048 0.000 1.028 408 V CA -0.981 61.388 62.300 0.115 0.000 0.860 408 V CB 1.710 33.638 31.823 0.173 0.000 0.991 408 V HN 0.784 nan 8.190 nan 0.000 0.427 409 D N 4.589 125.060 120.400 0.118 0.000 2.193 409 D HA 0.677 5.315 4.640 -0.003 0.000 0.244 409 D C -0.584 175.810 176.300 0.157 0.000 1.064 409 D CA -0.055 54.007 54.000 0.104 0.000 0.845 409 D CB 2.227 43.096 40.800 0.115 0.000 1.148 409 D HN 0.328 nan 8.370 nan 0.000 0.464 410 L N 1.329 122.662 121.223 0.183 0.000 2.381 410 L HA 0.553 4.891 4.340 -0.003 0.000 0.268 410 L C -0.029 176.975 176.870 0.223 0.000 0.997 410 L CA -0.725 54.305 54.840 0.317 0.000 0.818 410 L CB 1.978 44.342 42.059 0.509 0.000 1.310 410 L HN 0.378 nan 8.230 nan 0.000 0.416 411 S N 1.570 117.403 115.700 0.222 0.000 2.564 411 S HA 0.923 5.391 4.470 -0.003 0.000 0.274 411 S C -0.954 173.692 174.600 0.078 0.000 1.124 411 S CA -0.662 57.502 58.200 -0.060 0.000 0.869 411 S CB 2.255 65.405 63.200 -0.083 0.000 1.105 411 S HN 0.531 nan 8.310 nan 0.000 0.472 412 F N -1.853 118.085 119.950 -0.021 0.000 2.770 412 F HA 0.733 5.258 4.527 -0.003 0.000 0.313 412 F C -0.493 175.301 175.800 -0.010 0.000 1.154 412 F CA -1.099 56.867 58.000 -0.056 0.000 0.923 412 F CB 1.021 39.930 39.000 -0.152 0.000 1.301 412 F HN 0.618 nan 8.300 nan 0.000 0.449 413 S N 0.607 116.413 115.700 0.178 0.000 2.528 413 S HA 0.545 5.013 4.470 -0.003 0.000 0.277 413 S C 1.054 175.787 174.600 0.221 0.000 1.297 413 S CA 0.066 58.323 58.200 0.094 0.000 1.052 413 S CB 1.064 64.274 63.200 0.018 0.000 0.917 413 S HN 1.205 nan 8.310 nan 0.000 0.492 414 A N 5.141 128.076 122.820 0.191 0.000 2.125 414 A HA -0.019 4.299 4.320 -0.003 0.000 0.219 414 A C 1.803 179.485 177.584 0.162 0.000 1.156 414 A CA 1.138 53.378 52.037 0.339 0.000 0.671 414 A CB -0.299 18.841 19.000 0.234 0.000 0.794 414 A HN 0.900 nan 8.150 nan 0.000 0.459 415 K N 0.832 121.245 120.400 0.021 0.000 2.487 415 K HA 0.116 4.434 4.320 -0.003 0.000 0.192 415 K C 0.134 176.627 176.600 -0.179 0.000 1.027 415 K CA -0.075 56.181 56.287 -0.051 0.000 1.054 415 K CB 0.054 32.537 32.500 -0.029 0.000 0.824 415 K HN 0.343 nan 8.250 nan 0.000 0.510 416 S N 1.416 116.884 115.700 -0.387 0.000 2.563 416 S HA -0.003 4.465 4.470 -0.003 0.000 0.284 416 S C 0.995 175.317 174.600 -0.464 0.000 1.331 416 S CA 0.146 58.019 58.200 -0.544 0.000 1.047 416 S CB 0.859 63.464 63.200 -0.991 0.000 0.859 416 S HN 0.220 nan 8.310 nan 0.000 0.514 417 K N 1.112 121.341 120.400 -0.285 0.000 2.305 417 K HA 0.131 4.450 4.320 -0.003 0.000 0.199 417 K C 0.975 177.501 176.600 -0.123 0.000 1.047 417 K CA 0.378 56.567 56.287 -0.163 0.000 0.976 417 K CB -0.029 32.410 32.500 -0.102 0.000 0.765 417 K HN 0.693 nan 8.250 nan 0.000 0.474 418 A N 0.971 123.705 122.820 -0.144 0.000 2.492 418 A HA -0.001 4.318 4.320 -0.003 0.000 0.236 418 A C 1.165 178.847 177.584 0.162 0.000 1.078 418 A CA 0.068 52.120 52.037 0.024 0.000 0.773 418 A CB 0.363 19.442 19.000 0.131 0.000 1.023 418 A HN 0.152 nan 8.150 nan 0.000 0.504 419 S N -0.582 115.229 115.700 0.186 0.000 2.345 419 S HA 0.010 4.479 4.470 -0.003 0.000 0.220 419 S C 1.066 175.880 174.600 0.355 0.000 1.031 419 S CA 1.616 59.944 58.200 0.214 0.000 0.996 419 S CB -0.262 62.994 63.200 0.094 0.000 0.882 419 S HN 1.234 nan 8.310 nan 0.000 0.445 420 T N -1.082 113.671 114.554 0.333 0.000 2.903 420 T HA 0.660 5.008 4.350 -0.003 0.000 0.299 420 T C -1.278 173.657 174.700 0.391 0.000 1.093 420 T CA -0.792 61.497 62.100 0.314 0.000 1.002 420 T CB 1.774 70.783 68.868 0.234 0.000 1.127 420 T HN 0.064 nan 8.240 nan 0.000 0.488 421 F N 1.730 121.730 119.950 0.083 0.000 2.507 421 F HA 0.846 5.371 4.527 -0.003 0.000 0.325 421 F C -0.733 174.948 175.800 -0.197 0.000 1.116 421 F CA -0.688 57.267 58.000 -0.075 0.000 0.930 421 F CB 1.378 40.232 39.000 -0.243 0.000 1.146 421 F HN 1.148 nan 8.300 nan 0.000 0.447 422 A N 6.150 128.385 122.820 -0.975 0.000 2.594 422 A HA 0.737 5.055 4.320 -0.003 0.000 0.291 422 A C -2.062 175.048 177.584 -0.789 0.000 1.105 422 A CA -0.748 50.821 52.037 -0.780 0.000 0.694 422 A CB 1.368 20.206 19.000 -0.271 0.000 1.291 422 A HN 0.936 nan 8.150 nan 0.000 0.410 423 I N 0.930 121.207 120.570 -0.489 0.000 2.404 423 I HA 0.662 4.830 4.170 -0.003 0.000 0.293 423 I C 0.313 176.367 176.117 -0.105 0.000 0.992 423 I CA -0.720 60.427 61.300 -0.255 0.000 1.149 423 I CB 1.554 39.468 38.000 -0.142 0.000 1.315 423 I HN 0.828 nan 8.210 nan 0.000 0.446 424 A N 8.495 131.299 122.820 -0.027 0.000 2.302 424 A HA 0.643 4.962 4.320 -0.003 0.000 0.295 424 A C -0.845 176.838 177.584 0.166 0.000 1.235 424 A CA -0.336 51.762 52.037 0.102 0.000 0.876 424 A CB 0.111 19.224 19.000 0.189 0.000 1.133 424 A HN 0.715 nan 8.150 nan 0.000 0.533 425 L N 2.093 123.412 121.223 0.158 0.000 2.333 425 L HA 0.588 4.927 4.340 -0.003 0.000 0.269 425 L C 0.365 177.346 176.870 0.184 0.000 1.010 425 L CA -1.306 53.659 54.840 0.208 0.000 0.818 425 L CB 1.160 43.345 42.059 0.210 0.000 1.306 425 L HN 0.731 nan 8.230 nan 0.000 0.430 426 R N 0.543 121.172 120.500 0.214 0.000 3.158 426 R HA -0.182 4.156 4.340 -0.003 0.000 0.244 426 R C -0.584 175.764 176.300 0.081 0.000 0.900 426 R CA 0.667 56.856 56.100 0.147 0.000 0.618 426 R CB -1.890 28.500 30.300 0.151 0.000 1.061 426 R HN 0.704 nan 8.270 nan 0.000 0.471 427 A N 0.606 123.434 122.820 0.014 0.000 2.324 427 A HA 0.603 4.921 4.320 -0.003 0.000 0.330 427 A C 0.718 178.214 177.584 -0.147 0.000 1.165 427 A CA -0.007 51.962 52.037 -0.113 0.000 0.813 427 A CB 1.065 19.891 19.000 -0.291 0.000 1.197 427 A HN 0.474 nan 8.150 nan 0.000 0.484 428 S N 1.240 116.857 115.700 -0.139 0.000 2.587 428 S HA 0.371 4.839 4.470 -0.003 0.000 0.260 428 S C 1.410 175.761 174.600 -0.415 0.000 1.353 428 S CA -0.016 58.120 58.200 -0.107 0.000 0.995 428 S CB 0.721 63.884 63.200 -0.062 0.000 0.912 428 S HN 1.749 nan 8.310 nan 0.000 0.568 429 A N 1.775 124.341 122.820 -0.423 0.000 1.948 429 A HA -0.190 4.128 4.320 -0.003 0.000 0.220 429 A C 1.831 179.187 177.584 -0.380 0.000 1.177 429 A CA 1.959 53.584 52.037 -0.686 0.000 0.636 429 A CB -1.273 17.474 19.000 -0.423 0.000 0.815 429 A HN 1.015 nan 8.150 nan 0.000 0.449 430 N N -2.730 115.859 118.700 -0.186 0.000 2.270 430 N HA 0.157 4.896 4.740 -0.003 0.000 0.198 430 N C 0.120 175.736 175.510 0.178 0.000 1.117 430 N CA 0.158 53.227 53.050 0.030 0.000 0.845 430 N CB -0.698 37.798 38.487 0.015 0.000 0.980 430 N HN 0.325 nan 8.380 nan 0.000 0.486 431 F N -0.892 119.036 119.950 -0.037 0.000 3.006 431 F HA -0.314 4.211 4.527 -0.003 0.000 0.289 431 F C 1.637 177.424 175.800 -0.021 0.000 0.772 431 F CA 1.065 59.055 58.000 -0.017 0.000 1.162 431 F CB -2.473 36.509 39.000 -0.030 0.000 1.382 431 F HN 0.320 nan 8.300 nan 0.000 0.406 432 T N -2.997 111.604 114.554 0.078 0.000 2.904 432 T HA -0.134 4.214 4.350 -0.003 0.000 0.267 432 T C 0.717 175.452 174.700 0.057 0.000 1.059 432 T CA 1.231 63.351 62.100 0.034 0.000 1.137 432 T CB 0.082 68.965 68.868 0.024 0.000 0.879 432 T HN 0.512 nan 8.240 nan 0.000 0.467 433 E N 1.891 122.130 120.200 0.065 0.000 2.197 433 E HA 0.398 4.747 4.350 -0.003 0.000 0.281 433 E C -0.688 175.963 176.600 0.086 0.000 0.995 433 E CA -0.687 55.772 56.400 0.098 0.000 0.808 433 E CB 0.617 30.367 29.700 0.083 0.000 1.093 433 E HN 0.695 nan 8.360 nan 0.000 0.394 434 Q N 1.417 121.294 119.800 0.129 0.000 2.791 434 Q HA 0.301 4.639 4.340 -0.003 0.000 0.280 434 Q C -1.623 174.458 176.000 0.134 0.000 0.928 434 Q CA -1.001 54.883 55.803 0.136 0.000 0.819 434 Q CB 1.128 29.980 28.738 0.191 0.000 1.552 434 Q HN 0.312 nan 8.270 nan 0.000 0.410 435 T N 1.987 116.612 114.554 0.118 0.000 2.786 435 T HA 0.550 4.899 4.350 -0.003 0.000 0.283 435 T C -0.587 174.159 174.700 0.076 0.000 0.992 435 T CA -0.579 61.575 62.100 0.090 0.000 0.954 435 T CB 0.524 69.431 68.868 0.066 0.000 0.934 435 T HN 0.386 nan 8.240 nan 0.000 0.440 436 L N 3.398 124.664 121.223 0.072 0.000 2.275 436 L HA 0.657 4.995 4.340 -0.003 0.000 0.288 436 L C -0.433 176.405 176.870 -0.053 0.000 1.046 436 L CA -0.928 53.939 54.840 0.044 0.000 0.805 436 L CB 1.313 43.461 42.059 0.148 0.000 1.193 436 L HN 0.311 nan 8.230 nan 0.000 0.426 437 V N 2.637 122.439 119.914 -0.187 0.000 2.448 437 V HA 0.885 5.003 4.120 -0.003 0.000 0.295 437 V C 0.367 176.091 176.094 -0.616 0.000 1.025 437 V CA -0.218 61.874 62.300 -0.347 0.000 0.859 437 V CB 1.397 33.114 31.823 -0.177 0.000 0.988 437 V HN 0.951 nan 8.190 nan 0.000 0.431 438 G N 3.091 111.202 108.800 -1.149 0.000 2.706 438 G HA2 0.593 4.552 3.960 -0.003 0.000 0.307 438 G HA3 0.593 4.552 3.960 -0.003 0.000 0.307 438 G C -2.398 171.982 174.900 -0.866 0.000 1.307 438 G CA -0.501 43.888 45.100 -1.184 0.000 0.790 438 G HN 0.450 nan 8.290 nan 0.000 0.503 439 Y N 0.603 120.590 120.300 -0.521 0.000 2.421 439 Y HA 0.529 5.077 4.550 -0.003 0.000 0.339 439 Y C -1.404 174.424 175.900 -0.119 0.000 0.996 439 Y CA -1.076 56.894 58.100 -0.217 0.000 1.046 439 Y CB 2.383 40.759 38.460 -0.141 0.000 1.226 439 Y HN 0.470 nan 8.280 nan 0.000 0.445 440 D N 5.385 125.542 120.400 -0.404 0.000 2.359 440 D HA 0.102 4.740 4.640 -0.003 0.000 0.230 440 D C 0.349 176.338 176.300 -0.520 0.000 1.118 440 D CA 0.062 53.898 54.000 -0.273 0.000 0.844 440 D CB 0.493 41.215 40.800 -0.130 0.000 1.059 440 D HN 0.553 nan 8.370 nan 0.000 0.493 441 F N 2.738 122.676 119.950 -0.021 0.000 2.134 441 F HA -0.100 4.425 4.527 -0.003 0.000 0.299 441 F C 2.538 178.354 175.800 0.026 0.000 1.097 441 F CA 1.188 59.250 58.000 0.104 0.000 1.264 441 F CB -0.582 38.543 39.000 0.208 0.000 1.001 441 F HN 0.532 nan 8.300 nan 0.000 0.479 442 A N -0.122 122.794 122.820 0.160 0.000 1.902 442 A HA -0.175 4.144 4.320 -0.003 0.000 0.217 442 A C 2.121 179.710 177.584 0.008 0.000 1.181 442 A CA 1.617 53.701 52.037 0.079 0.000 0.623 442 A CB -0.536 18.493 19.000 0.050 0.000 0.818 442 A HN 0.350 nan 8.150 nan 0.000 0.443 443 K N -0.981 119.380 120.400 -0.065 0.000 2.400 443 K HA 0.077 4.395 4.320 -0.003 0.000 0.194 443 K C -0.333 176.185 176.600 -0.137 0.000 1.033 443 K CA 0.268 56.496 56.287 -0.099 0.000 1.021 443 K CB 0.177 32.602 32.500 -0.125 0.000 0.808 443 K HN 0.518 nan 8.250 nan 0.000 0.505 444 Q N 1.054 120.719 119.800 -0.225 0.000 2.453 444 Q HA -0.221 4.117 4.340 -0.003 0.000 0.330 444 Q C -1.052 174.773 176.000 -0.291 0.000 1.417 444 Q CA 0.674 56.324 55.803 -0.255 0.000 0.902 444 Q CB -1.423 27.343 28.738 0.046 0.000 1.154 444 Q HN 0.410 nan 8.270 nan 0.000 0.395 445 Q N 0.151 119.644 119.800 -0.511 0.000 2.347 445 Q HA 0.563 4.902 4.340 -0.003 0.000 0.271 445 Q C -0.321 175.572 176.000 -0.179 0.000 1.064 445 Q CA -0.782 54.879 55.803 -0.237 0.000 0.800 445 Q CB 1.809 30.489 28.738 -0.097 0.000 1.304 445 Q HN 0.297 nan 8.270 nan 0.000 0.438 446 I N 3.093 123.665 120.570 0.003 0.000 2.634 446 I HA 0.196 4.365 4.170 -0.003 0.000 0.284 446 I C -0.235 175.899 176.117 0.030 0.000 1.124 446 I CA -0.048 61.266 61.300 0.023 0.000 1.417 446 I CB 0.063 38.069 38.000 0.009 0.000 1.396 446 I HN 0.457 nan 8.210 nan 0.000 0.571 447 F N 5.099 124.987 119.950 -0.102 0.000 2.563 447 F HA 0.780 5.305 4.527 -0.003 0.000 0.316 447 F C -1.315 174.384 175.800 -0.168 0.000 1.076 447 F CA -1.223 56.627 58.000 -0.249 0.000 0.921 447 F CB 1.285 40.083 39.000 -0.336 0.000 1.209 447 F HN 0.249 nan 8.300 nan 0.000 0.462 448 L N 3.087 124.310 121.223 -0.000 0.000 2.372 448 L HA 0.446 4.784 4.340 -0.003 0.000 0.274 448 L C -1.588 175.315 176.870 0.055 0.000 0.988 448 L CA -0.448 54.405 54.840 0.021 0.000 0.833 448 L CB 1.216 43.298 42.059 0.038 0.000 1.236 448 L HN 0.820 nan 8.230 nan 0.000 0.410 449 D N 4.794 125.247 120.400 0.088 0.000 2.427 449 D HA 0.216 4.854 4.640 -0.003 0.000 0.226 449 D C 0.380 176.692 176.300 0.020 0.000 1.076 449 D CA -0.470 53.545 54.000 0.025 0.000 0.849 449 D CB 1.077 41.929 40.800 0.088 0.000 1.052 449 D HN 0.679 nan 8.370 nan 0.000 0.515 450 R N 1.486 121.962 120.500 -0.039 0.000 2.552 450 R HA 0.114 4.452 4.340 -0.003 0.000 0.314 450 R C 0.958 177.232 176.300 -0.043 0.000 1.041 450 R CA -0.120 55.964 56.100 -0.027 0.000 1.076 450 R CB -0.435 29.820 30.300 -0.076 0.000 1.290 450 R HN 0.237 nan 8.270 nan 0.000 0.563 451 T N -2.322 112.204 114.554 -0.046 0.000 2.833 451 T HA -0.136 4.213 4.350 -0.003 0.000 0.269 451 T C 0.944 175.492 174.700 -0.252 0.000 1.054 451 T CA 0.974 62.998 62.100 -0.127 0.000 1.135 451 T CB -0.316 68.508 68.868 -0.073 0.000 0.869 451 T HN 0.471 nan 8.240 nan 0.000 0.466 452 H N 0.756 119.837 119.070 0.018 0.000 2.505 452 H HA 0.380 4.935 4.556 -0.003 0.000 0.260 452 H C 1.419 176.787 175.328 0.068 0.000 1.168 452 H CA 0.356 56.428 56.048 0.041 0.000 0.945 452 H CB 0.452 30.235 29.762 0.035 0.000 1.800 452 H HN 0.559 nan 8.280 nan 0.000 0.586 453 S N -0.873 114.913 115.700 0.143 0.000 2.561 453 S HA 0.218 4.687 4.470 -0.003 0.000 0.225 453 S C 1.395 176.097 174.600 0.170 0.000 0.977 453 S CA 0.500 58.789 58.200 0.148 0.000 0.926 453 S CB 0.708 63.991 63.200 0.138 0.000 0.769 453 S HN 0.654 nan 8.310 nan 0.000 0.533 454 G N 1.220 110.122 108.800 0.171 0.000 2.217 454 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.126 454 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.126 454 G C -1.763 173.238 174.900 0.168 0.000 1.293 454 G CA -0.286 44.925 45.100 0.185 0.000 1.219 454 G HN 0.251 nan 8.290 nan 0.000 0.477 455 D N 1.517 122.043 120.400 0.210 0.000 2.368 455 D HA 0.317 4.955 4.640 -0.003 0.000 0.268 455 D C 1.485 177.828 176.300 0.072 0.000 1.298 455 D CA 0.839 54.926 54.000 0.145 0.000 0.938 455 D CB 0.899 41.795 40.800 0.160 0.000 1.101 455 D HN 1.199 nan 8.370 nan 0.000 0.509 456 V N 1.488 121.354 119.914 -0.082 0.000 3.176 456 V HA 0.144 4.262 4.120 -0.003 0.000 0.332 456 V C 1.418 177.209 176.094 -0.504 0.000 1.414 456 V CA 0.414 62.534 62.300 -0.300 0.000 1.133 456 V CB -0.199 31.606 31.823 -0.031 0.000 1.088 456 V HN 0.435 nan 8.190 nan 0.000 0.473 457 S N 1.007 116.500 115.700 -0.345 0.000 2.522 457 S HA 0.003 4.471 4.470 -0.003 0.000 0.227 457 S C 1.446 175.916 174.600 -0.217 0.000 0.986 457 S CA 1.012 59.089 58.200 -0.206 0.000 0.929 457 S CB -0.812 62.353 63.200 -0.059 0.000 0.769 457 S HN 0.884 nan 8.310 nan 0.000 0.529 458 F N 0.534 120.358 119.950 -0.210 0.000 2.776 458 F HA 0.524 5.049 4.527 -0.003 0.000 0.300 458 F C 0.309 176.044 175.800 -0.109 0.000 1.116 458 F CA -0.765 57.122 58.000 -0.187 0.000 1.375 458 F CB -0.012 38.815 39.000 -0.289 0.000 1.109 458 F HN 0.122 nan 8.300 nan 0.000 0.585 459 D N 0.727 120.903 120.400 -0.373 0.000 2.886 459 D HA 0.068 4.707 4.640 -0.003 0.000 0.216 459 D C 0.079 176.312 176.300 -0.111 0.000 1.256 459 D CA -0.204 53.737 54.000 -0.097 0.000 0.844 459 D CB 1.692 42.545 40.800 0.087 0.000 1.669 459 D HN 0.155 nan 8.370 nan 0.000 0.513 460 E N 0.435 120.621 120.200 -0.025 0.000 2.265 460 E HA -0.123 4.225 4.350 -0.003 0.000 0.196 460 E C 1.478 178.074 176.600 -0.007 0.000 0.996 460 E CA 1.342 57.727 56.400 -0.025 0.000 0.832 460 E CB 0.224 29.922 29.700 -0.003 0.000 0.756 460 E HN 0.529 nan 8.360 nan 0.000 0.491 461 T N -2.420 112.164 114.554 0.050 0.000 3.060 461 T HA 0.037 4.385 4.350 -0.003 0.000 0.249 461 T C 1.385 176.124 174.700 0.065 0.000 1.079 461 T CA -0.362 61.783 62.100 0.074 0.000 1.013 461 T CB -0.142 68.816 68.868 0.150 0.000 0.975 461 T HN 0.047 nan 8.240 nan 0.000 0.518 462 F N 3.022 122.869 119.950 -0.173 0.000 2.146 462 F HA 0.403 4.928 4.527 -0.003 0.000 0.298 462 F C 1.682 177.373 175.800 -0.183 0.000 1.096 462 F CA 0.419 58.242 58.000 -0.294 0.000 1.275 462 F CB -0.432 38.159 39.000 -0.683 0.000 1.008 462 F HN 0.238 nan 8.300 nan 0.000 0.480 463 A N 0.949 123.715 122.820 -0.090 0.000 2.797 463 A HA 0.503 4.821 4.320 -0.003 0.000 0.296 463 A C -0.123 177.335 177.584 -0.210 0.000 1.580 463 A CA 0.220 52.168 52.037 -0.149 0.000 1.277 463 A CB -0.769 18.146 19.000 -0.142 0.000 1.101 463 A HN 0.238 nan 8.150 nan 0.000 0.562 464 S N -0.091 115.417 115.700 -0.319 0.000 2.618 464 S HA 0.633 5.102 4.470 -0.003 0.000 0.277 464 S C -0.676 173.539 174.600 -0.642 0.000 1.138 464 S CA -0.548 57.368 58.200 -0.474 0.000 0.844 464 S CB 1.941 64.776 63.200 -0.608 0.000 1.127 464 S HN 0.453 nan 8.310 nan 0.000 0.474 465 V N 2.373 121.915 119.914 -0.620 0.000 2.459 465 V HA 0.535 4.653 4.120 -0.003 0.000 0.295 465 V C -1.493 174.181 176.094 -0.701 0.000 1.029 465 V CA -0.528 61.450 62.300 -0.537 0.000 0.874 465 V CB 0.757 32.422 31.823 -0.264 0.000 0.985 465 V HN 0.798 nan 8.190 nan 0.000 0.438 466 Y N 2.707 122.875 120.300 -0.220 0.000 2.487 466 Y HA 0.755 5.304 4.550 -0.003 0.000 0.337 466 Y C 0.094 175.791 175.900 -0.339 0.000 1.076 466 Y CA -0.788 57.228 58.100 -0.140 0.000 1.115 466 Y CB 1.684 40.098 38.460 -0.077 0.000 1.235 466 Y HN 0.688 nan 8.280 nan 0.000 0.468 467 H N -0.638 118.551 119.070 0.199 0.000 2.930 467 H HA 0.742 5.296 4.556 -0.003 0.000 0.371 467 H C -0.400 174.917 175.328 -0.018 0.000 1.169 467 H CA -1.095 54.998 56.048 0.075 0.000 1.157 467 H CB 2.153 31.918 29.762 0.006 0.000 1.789 467 H HN 0.868 nan 8.280 nan 0.000 0.547 468 G N 1.184 109.913 108.800 -0.119 0.000 2.696 468 G HA2 0.469 4.427 3.960 -0.003 0.000 0.295 468 G HA3 0.469 4.427 3.960 -0.003 0.000 0.295 468 G C -3.158 171.391 174.900 -0.585 0.000 1.398 468 G CA -1.879 42.805 45.100 -0.693 0.000 0.920 468 G HN 0.363 nan 8.290 nan 0.000 0.492 469 P HA 0.446 nan 4.420 nan 0.000 0.275 469 P C -1.038 176.152 177.300 -0.182 0.000 1.227 469 P CA -0.379 62.489 63.100 -0.386 0.000 0.781 469 P CB 2.052 33.535 31.700 -0.362 0.000 0.906 470 L N 3.021 124.233 121.223 -0.017 0.000 2.596 470 L HA 0.345 4.684 4.340 -0.003 0.000 0.265 470 L C -0.213 176.769 176.870 0.187 0.000 0.962 470 L CA -0.058 54.840 54.840 0.096 0.000 0.891 470 L CB 1.589 43.744 42.059 0.160 0.000 1.248 470 L HN 0.486 nan 8.230 nan 0.000 0.410 471 T N 2.546 117.165 114.554 0.108 0.000 2.913 471 T HA 0.742 5.090 4.350 -0.003 0.000 0.287 471 T C -2.423 172.318 174.700 0.068 0.000 1.008 471 T CA -1.497 60.672 62.100 0.115 0.000 1.067 471 T CB 0.980 69.892 68.868 0.074 0.000 0.996 471 T HN 0.423 nan 8.240 nan 0.000 0.513 472 P HA 0.223 nan 4.420 nan 0.000 0.272 472 P C -0.178 177.110 177.300 -0.020 0.000 1.240 472 P CA -0.398 62.686 63.100 -0.027 0.000 0.791 472 P CB 0.303 32.008 31.700 0.009 0.000 0.978 473 D N -1.057 119.313 120.400 -0.050 0.000 2.356 473 D HA -0.034 4.604 4.640 -0.003 0.000 0.258 473 D C 1.021 177.313 176.300 -0.013 0.000 1.279 473 D CA -0.126 53.856 54.000 -0.029 0.000 1.016 473 D CB -0.615 40.160 40.800 -0.042 0.000 1.107 473 D HN 0.269 nan 8.370 nan 0.000 0.544 474 S N -1.895 113.800 115.700 -0.008 0.000 2.419 474 S HA -0.183 4.285 4.470 -0.003 0.000 0.233 474 S C 1.713 176.310 174.600 -0.004 0.000 1.016 474 S CA 1.335 59.535 58.200 -0.001 0.000 0.974 474 S CB -1.330 61.871 63.200 0.001 0.000 0.786 474 S HN 0.736 nan 8.310 nan 0.000 0.492 475 T N -2.433 112.112 114.554 -0.014 0.000 3.107 475 T HA 0.499 4.848 4.350 -0.003 0.000 0.249 475 T C 1.459 176.149 174.700 -0.016 0.000 1.096 475 T CA 0.377 62.468 62.100 -0.016 0.000 1.012 475 T CB -0.186 68.668 68.868 -0.023 0.000 0.977 475 T HN 1.078 nan 8.240 nan 0.000 0.527 476 G N 0.671 109.462 108.800 -0.015 0.000 2.137 476 G HA2 -0.202 3.757 3.960 -0.003 0.000 0.237 476 G HA3 -0.202 3.757 3.960 -0.003 0.000 0.237 476 G C -0.054 174.824 174.900 -0.037 0.000 1.002 476 G CA -0.080 45.016 45.100 -0.006 0.000 0.702 476 G HN 0.660 nan 8.290 nan 0.000 0.515 477 V N 0.589 120.454 119.914 -0.081 0.000 2.439 477 V HA 0.570 4.689 4.120 -0.003 0.000 0.282 477 V C 0.713 176.645 176.094 -0.270 0.000 1.039 477 V CA -0.710 61.496 62.300 -0.158 0.000 0.913 477 V CB 1.854 33.596 31.823 -0.134 0.000 0.983 477 V HN 0.234 nan 8.190 nan 0.000 0.460 478 V N 5.910 125.515 119.914 -0.515 0.000 2.427 478 V HA 0.458 4.576 4.120 -0.003 0.000 0.286 478 V C 0.009 175.601 176.094 -0.837 0.000 1.034 478 V CA -0.771 61.070 62.300 -0.765 0.000 0.893 478 V CB 1.470 32.555 31.823 -1.229 0.000 0.982 478 V HN 0.834 nan 8.190 nan 0.000 0.452 479 K N 5.613 125.731 120.400 -0.470 0.000 2.324 479 K HA 0.777 5.095 4.320 -0.003 0.000 0.253 479 K C -1.452 175.064 176.600 -0.140 0.000 0.932 479 K CA -0.604 55.513 56.287 -0.284 0.000 0.799 479 K CB 2.354 34.764 32.500 -0.150 0.000 1.154 479 K HN 0.470 nan 8.250 nan 0.000 0.425 480 L N 1.112 122.321 121.223 -0.024 0.000 2.386 480 L HA 0.444 4.783 4.340 -0.003 0.000 0.271 480 L C -0.517 176.404 176.870 0.086 0.000 0.993 480 L CA -0.821 54.062 54.840 0.071 0.000 0.819 480 L CB 2.189 44.329 42.059 0.135 0.000 1.294 480 L HN 0.520 nan 8.230 nan 0.000 0.414 481 S N 3.424 119.196 115.700 0.120 0.000 2.552 481 S HA 0.737 5.205 4.470 -0.003 0.000 0.314 481 S C -0.782 173.908 174.600 0.150 0.000 1.099 481 S CA -0.401 57.844 58.200 0.076 0.000 1.070 481 S CB 0.574 63.813 63.200 0.065 0.000 0.998 481 S HN 0.432 nan 8.310 nan 0.000 0.474 482 I N 4.841 125.396 120.570 -0.026 0.000 2.418 482 I HA 0.441 4.609 4.170 -0.003 0.000 0.287 482 I C -1.194 174.821 176.117 -0.170 0.000 1.008 482 I CA -0.558 60.762 61.300 0.034 0.000 1.104 482 I CB 1.487 39.504 38.000 0.028 0.000 1.264 482 I HN 0.504 nan 8.210 nan 0.000 0.438 483 F N 5.737 125.720 119.950 0.055 0.000 2.388 483 F HA 0.519 5.044 4.527 -0.002 0.000 0.358 483 F C -0.014 175.777 175.800 -0.015 0.000 1.122 483 F CA -0.841 57.187 58.000 0.046 0.000 1.056 483 F CB 1.595 40.720 39.000 0.209 0.000 1.155 483 F HN 0.045 nan 8.300 nan 0.000 0.461 484 V N 3.172 123.013 119.914 -0.121 0.000 2.459 484 V HA 0.448 4.566 4.120 -0.003 0.000 0.295 484 V C -0.619 175.435 176.094 -0.067 0.000 1.029 484 V CA -0.481 61.640 62.300 -0.298 0.000 0.874 484 V CB 1.748 33.006 31.823 -0.940 0.000 0.985 484 V HN 0.660 nan 8.190 nan 0.000 0.438 485 D N 2.076 122.447 120.400 -0.048 0.000 2.614 485 D HA 0.429 5.067 4.640 -0.003 0.000 0.264 485 D C 1.054 177.345 176.300 -0.016 0.000 1.092 485 D CA -0.788 53.196 54.000 -0.027 0.000 1.071 485 D CB 1.962 42.598 40.800 -0.274 0.000 1.443 485 D HN 0.273 nan 8.370 nan 0.000 0.528 486 R N -0.584 119.945 120.500 0.050 0.000 2.117 486 R HA -0.090 4.248 4.340 -0.003 0.000 0.243 486 R C 0.896 177.262 176.300 0.109 0.000 1.143 486 R CA 1.649 57.822 56.100 0.123 0.000 0.968 486 R CB -0.207 30.203 30.300 0.183 0.000 0.863 486 R HN 0.371 nan 8.270 nan 0.000 0.444 487 S N -0.788 114.896 115.700 -0.027 0.000 2.740 487 S HA 0.231 4.699 4.470 -0.003 0.000 0.244 487 S C -0.454 173.922 174.600 -0.374 0.000 1.101 487 S CA -0.621 57.418 58.200 -0.269 0.000 1.123 487 S CB 0.746 63.726 63.200 -0.367 0.000 1.012 487 S HN 0.178 nan 8.310 nan 0.000 0.491 488 S N -0.342 115.200 115.700 -0.263 0.000 2.543 488 S HA 0.751 5.219 4.470 -0.003 0.000 0.274 488 S C -1.260 173.254 174.600 -0.143 0.000 1.149 488 S CA -0.757 57.292 58.200 -0.252 0.000 0.866 488 S CB 1.423 64.391 63.200 -0.388 0.000 1.111 488 S HN 0.396 nan 8.310 nan 0.000 0.457 489 V N 1.554 121.409 119.914 -0.097 0.000 2.588 489 V HA 0.617 4.735 4.120 -0.003 0.000 0.304 489 V C -0.716 175.381 176.094 0.005 0.000 1.042 489 V CA -0.499 61.782 62.300 -0.031 0.000 0.877 489 V CB 1.608 33.408 31.823 -0.039 0.000 0.996 489 V HN 0.990 nan 8.190 nan 0.000 0.425 490 E N 2.765 123.029 120.200 0.106 0.000 2.199 490 E HA 0.636 4.984 4.350 -0.003 0.000 0.265 490 E C -1.407 175.271 176.600 0.129 0.000 0.882 490 E CA -0.568 55.878 56.400 0.076 0.000 0.759 490 E CB 2.619 32.417 29.700 0.163 0.000 1.148 490 E HN 0.476 nan 8.360 nan 0.000 0.412 491 V N 3.963 123.843 119.914 -0.055 0.000 2.398 491 V HA 0.382 4.500 4.120 -0.003 0.000 0.286 491 V C -0.785 175.222 176.094 -0.145 0.000 1.026 491 V CA -0.680 61.628 62.300 0.012 0.000 0.868 491 V CB 0.509 32.319 31.823 -0.023 0.000 0.982 491 V HN 0.577 nan 8.190 nan 0.000 0.443 492 F N 2.848 122.853 119.950 0.091 0.000 2.332 492 F HA 0.658 5.183 4.527 -0.003 0.000 0.368 492 F C 0.997 176.821 175.800 0.039 0.000 1.110 492 F CA -0.422 57.617 58.000 0.064 0.000 1.087 492 F CB 1.567 40.620 39.000 0.087 0.000 1.235 492 F HN 0.584 nan 8.300 nan 0.000 0.470 493 G N 1.642 110.521 108.800 0.131 0.000 2.377 493 G HA2 0.490 4.448 3.960 -0.003 0.000 0.299 493 G HA3 0.490 4.448 3.960 -0.003 0.000 0.299 493 G C 0.438 175.377 174.900 0.066 0.000 1.150 493 G CA 0.112 45.257 45.100 0.076 0.000 0.847 493 G HN 1.041 nan 8.290 nan 0.000 0.501 494 G N 1.719 110.526 108.800 0.012 0.000 2.596 494 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.304 494 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.304 494 G C 1.059 175.971 174.900 0.020 0.000 1.189 494 G CA 0.755 45.851 45.100 -0.007 0.000 0.986 494 G HN 0.768 nan 8.290 nan 0.000 0.548 495 Q N 1.645 121.464 119.800 0.032 0.000 2.403 495 Q HA 0.385 4.723 4.340 -0.003 0.000 0.203 495 Q C 1.756 177.802 176.000 0.077 0.000 0.932 495 Q CA 1.006 56.832 55.803 0.038 0.000 0.945 495 Q CB 0.426 29.183 28.738 0.031 0.000 1.045 495 Q HN 2.056 nan 8.270 nan 0.000 0.511 496 G N 1.458 110.330 108.800 0.119 0.000 2.168 496 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.197 496 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.197 496 G C 0.720 175.700 174.900 0.134 0.000 0.997 496 G CA 0.307 45.521 45.100 0.190 0.000 0.658 496 G HN 0.452 nan 8.290 nan 0.000 0.513 497 E N 0.273 120.534 120.200 0.103 0.000 2.274 497 E HA 0.009 4.357 4.350 -0.003 0.000 0.194 497 E C 0.293 176.975 176.600 0.136 0.000 0.996 497 E CA 1.390 57.855 56.400 0.108 0.000 0.840 497 E CB -0.084 29.678 29.700 0.103 0.000 0.772 497 E HN 0.397 nan 8.360 nan 0.000 0.491 498 T N 1.687 116.304 114.554 0.106 0.000 2.890 498 T HA 0.341 4.689 4.350 -0.003 0.000 0.295 498 T C -0.558 174.161 174.700 0.031 0.000 0.993 498 T CA -0.548 61.618 62.100 0.109 0.000 0.979 498 T CB 1.704 70.583 68.868 0.018 0.000 0.967 498 T HN 0.234 nan 8.240 nan 0.000 0.441 499 T N 1.403 115.956 114.554 -0.002 0.000 2.885 499 T HA 0.825 5.173 4.350 -0.003 0.000 0.285 499 T C -0.703 173.925 174.700 -0.120 0.000 1.019 499 T CA -0.950 61.011 62.100 -0.233 0.000 1.010 499 T CB 1.476 70.013 68.868 -0.552 0.000 1.022 499 T HN 0.461 nan 8.240 nan 0.000 0.466 500 L N 1.931 123.044 121.223 -0.182 0.000 2.406 500 L HA 0.603 4.941 4.340 -0.003 0.000 0.272 500 L C -0.900 175.877 176.870 -0.154 0.000 0.980 500 L CA -0.391 54.390 54.840 -0.099 0.000 0.831 500 L CB 2.206 44.245 42.059 -0.033 0.000 1.253 500 L HN 0.922 nan 8.230 nan 0.000 0.406 501 T N 3.589 118.056 114.554 -0.145 0.000 2.809 501 T HA 0.792 5.140 4.350 -0.003 0.000 0.284 501 T C -0.681 173.938 174.700 -0.134 0.000 0.992 501 T CA -0.496 61.539 62.100 -0.108 0.000 0.957 501 T CB 1.586 70.441 68.868 -0.023 0.000 0.942 501 T HN 0.617 nan 8.240 nan 0.000 0.439 502 A N 3.542 126.283 122.820 -0.132 0.000 2.408 502 A HA 0.609 4.927 4.320 -0.003 0.000 0.295 502 A C -0.375 177.127 177.584 -0.136 0.000 1.040 502 A CA -0.888 51.048 52.037 -0.168 0.000 0.707 502 A CB 1.153 20.042 19.000 -0.185 0.000 1.235 502 A HN 0.738 nan 8.150 nan 0.000 0.418 503 Q N 0.586 120.325 119.800 -0.102 0.000 2.454 503 Q HA 0.554 4.892 4.340 -0.003 0.000 0.247 503 Q C -0.174 175.737 176.000 -0.147 0.000 1.028 503 Q CA 0.377 56.084 55.803 -0.160 0.000 0.910 503 Q CB 1.032 29.751 28.738 -0.031 0.000 1.276 503 Q HN 0.770 nan 8.270 nan 0.000 0.489 504 I N -2.731 117.580 120.570 -0.431 0.000 2.913 504 I HA 0.466 4.634 4.170 -0.003 0.000 0.302 504 I C -1.265 174.409 176.117 -0.739 0.000 1.246 504 I CA -1.094 60.047 61.300 -0.266 0.000 1.010 504 I CB 1.718 39.674 38.000 -0.073 0.000 1.259 504 I HN 0.413 nan 8.210 nan 0.000 0.434 505 F N 3.128 123.097 119.950 0.031 0.000 2.523 505 F HA 0.515 5.040 4.527 -0.003 0.000 0.322 505 F C -2.591 173.305 175.800 0.159 0.000 1.361 505 F CA -1.879 55.997 58.000 -0.205 0.000 1.151 505 F CB 0.821 39.483 39.000 -0.563 0.000 1.391 505 F HN 0.191 nan 8.300 nan 0.000 0.566 506 P HA 0.247 nan 4.420 nan 0.000 0.281 506 P C 0.042 177.535 177.300 0.322 0.000 1.249 506 P CA -0.417 62.852 63.100 0.282 0.000 0.810 506 P CB 1.188 33.000 31.700 0.187 0.000 1.008 507 S N 0.137 115.964 115.700 0.211 0.000 2.617 507 S HA 0.080 4.549 4.470 -0.003 0.000 0.259 507 S C 1.439 176.099 174.600 0.100 0.000 1.301 507 S CA 0.307 58.597 58.200 0.150 0.000 0.984 507 S CB -0.225 63.041 63.200 0.111 0.000 0.954 507 S HN 0.494 nan 8.310 nan 0.000 0.572 508 S N 0.134 115.868 115.700 0.057 0.000 2.423 508 S HA -0.140 4.328 4.470 -0.003 0.000 0.231 508 S C 1.153 175.772 174.600 0.031 0.000 1.014 508 S CA 0.924 59.145 58.200 0.034 0.000 0.965 508 S CB -0.791 62.417 63.200 0.014 0.000 0.785 508 S HN 0.894 nan 8.310 nan 0.000 0.495 509 D N 1.607 122.032 120.400 0.042 0.000 2.340 509 D HA 0.166 4.804 4.640 -0.003 0.000 0.220 509 D C 0.691 177.017 176.300 0.042 0.000 1.039 509 D CA 0.387 54.415 54.000 0.048 0.000 0.866 509 D CB -0.066 40.778 40.800 0.072 0.000 0.913 509 D HN 0.506 nan 8.370 nan 0.000 0.523 510 A N 1.310 124.152 122.820 0.036 0.000 3.056 510 A HA 0.382 4.701 4.320 -0.003 0.000 0.274 510 A C 0.912 178.484 177.584 -0.020 0.000 1.661 510 A CA -0.544 51.515 52.037 0.037 0.000 1.363 510 A CB -0.508 18.539 19.000 0.078 0.000 1.139 510 A HN 0.244 nan 8.150 nan 0.000 0.598 511 V N -2.035 117.757 119.914 -0.204 0.000 3.166 511 V HA 0.330 4.448 4.120 -0.003 0.000 0.332 511 V C 0.037 175.853 176.094 -0.464 0.000 1.434 511 V CA -0.297 61.835 62.300 -0.280 0.000 1.121 511 V CB -1.697 29.960 31.823 -0.276 0.000 1.062 511 V HN 0.617 nan 8.190 nan 0.000 0.489 512 H N 1.041 120.026 119.070 -0.142 0.000 2.544 512 H HA 0.953 5.508 4.556 -0.003 0.000 0.342 512 H C 0.144 175.420 175.328 -0.086 0.000 1.185 512 H CA 0.355 56.296 56.048 -0.178 0.000 1.264 512 H CB 1.908 31.460 29.762 -0.350 0.000 1.607 512 H HN 0.557 nan 8.280 nan 0.000 0.550 513 A N 1.080 124.000 122.820 0.167 0.000 2.587 513 A HA 0.780 5.098 4.320 -0.003 0.000 0.293 513 A C -1.031 176.682 177.584 0.216 0.000 1.087 513 A CA -0.946 51.208 52.037 0.196 0.000 0.692 513 A CB 1.853 20.802 19.000 -0.086 0.000 1.291 513 A HN 0.882 nan 8.150 nan 0.000 0.407 514 R N 0.488 121.041 120.500 0.088 0.000 2.716 514 R HA 0.723 5.061 4.340 -0.003 0.000 0.271 514 R C -1.911 174.316 176.300 -0.122 0.000 1.028 514 R CA -0.915 55.116 56.100 -0.115 0.000 0.883 514 R CB 0.706 30.775 30.300 -0.385 0.000 1.250 514 R HN 0.521 nan 8.270 nan 0.000 0.465 515 L N 0.849 122.015 121.223 -0.095 0.000 2.343 515 L HA 0.784 5.122 4.340 -0.003 0.000 0.275 515 L C -0.224 176.568 176.870 -0.130 0.000 1.056 515 L CA -1.047 53.738 54.840 -0.092 0.000 0.804 515 L CB 1.790 43.902 42.059 0.087 0.000 1.203 515 L HN 0.877 nan 8.230 nan 0.000 0.440 516 A N 1.458 124.181 122.820 -0.161 0.000 2.357 516 A HA 0.533 4.852 4.320 -0.003 0.000 0.295 516 A C -0.618 176.971 177.584 0.009 0.000 1.121 516 A CA -0.353 51.622 52.037 -0.102 0.000 0.742 516 A CB 1.611 20.540 19.000 -0.119 0.000 1.181 516 A HN 0.507 nan 8.150 nan 0.000 0.454 517 S N 2.156 117.894 115.700 0.064 0.000 2.532 517 S HA 0.571 5.039 4.470 -0.003 0.000 0.318 517 S C -0.222 174.419 174.600 0.068 0.000 1.083 517 S CA -0.195 58.089 58.200 0.139 0.000 1.131 517 S CB 0.077 63.328 63.200 0.085 0.000 0.973 517 S HN 0.683 nan 8.310 nan 0.000 0.468 518 T N 3.210 117.820 114.554 0.093 0.000 2.767 518 T HA 0.606 4.954 4.350 -0.003 0.000 0.284 518 T C 1.167 175.902 174.700 0.058 0.000 0.973 518 T CA 0.178 62.308 62.100 0.051 0.000 0.996 518 T CB 1.214 70.103 68.868 0.036 0.000 0.927 518 T HN 1.113 nan 8.240 nan 0.000 0.456 519 G N 1.662 110.477 108.800 0.025 0.000 2.175 519 G HA2 0.172 4.131 3.960 -0.003 0.000 0.244 519 G HA3 0.172 4.131 3.960 -0.003 0.000 0.244 519 G C 0.429 175.335 174.900 0.009 0.000 0.982 519 G CA -0.114 44.997 45.100 0.018 0.000 0.641 519 G HN 1.486 nan 8.290 nan 0.000 0.527 520 G N -2.081 106.722 108.800 0.005 0.000 2.343 520 G HA2 0.660 4.619 3.960 -0.003 0.000 0.289 520 G HA3 0.660 4.619 3.960 -0.003 0.000 0.289 520 G C -0.200 174.683 174.900 -0.027 0.000 1.295 520 G CA 0.630 45.720 45.100 -0.018 0.000 0.869 520 G HN 1.802 nan 8.290 nan 0.000 0.522 521 T N -1.809 112.710 114.554 -0.057 0.000 2.902 521 T HA 0.700 5.048 4.350 -0.003 0.000 0.280 521 T C -0.039 174.589 174.700 -0.120 0.000 0.992 521 T CA -0.092 61.960 62.100 -0.079 0.000 1.015 521 T CB 1.726 70.546 68.868 -0.079 0.000 1.044 521 T HN 0.699 nan 8.240 nan 0.000 0.520 522 T N 1.955 116.417 114.554 -0.153 0.000 2.807 522 T HA 0.529 4.877 4.350 -0.003 0.000 0.279 522 T C -0.638 173.943 174.700 -0.199 0.000 0.993 522 T CA -0.625 61.335 62.100 -0.234 0.000 0.970 522 T CB 1.513 70.151 68.868 -0.384 0.000 0.950 522 T HN 0.627 nan 8.240 nan 0.000 0.441 523 E N 1.761 121.865 120.200 -0.160 0.000 2.214 523 E HA 0.424 4.772 4.350 -0.003 0.000 0.274 523 E C -0.389 176.193 176.600 -0.030 0.000 0.977 523 E CA -0.433 55.919 56.400 -0.081 0.000 0.827 523 E CB 0.585 30.238 29.700 -0.078 0.000 1.130 523 E HN 0.523 nan 8.360 nan 0.000 0.394 524 D N 0.400 120.801 120.400 0.002 0.000 2.689 524 D HA -0.143 4.495 4.640 -0.003 0.000 0.237 524 D C -0.870 175.461 176.300 0.052 0.000 1.148 524 D CA 0.473 54.487 54.000 0.023 0.000 0.656 524 D CB -1.401 39.404 40.800 0.009 0.000 1.050 524 D HN 0.063 nan 8.370 nan 0.000 0.426 525 V N 0.385 120.344 119.914 0.074 0.000 2.498 525 V HA 0.361 4.479 4.120 -0.003 0.000 0.279 525 V C 0.857 177.048 176.094 0.163 0.000 1.048 525 V CA -0.057 62.306 62.300 0.106 0.000 0.967 525 V CB 1.529 33.391 31.823 0.065 0.000 0.988 525 V HN 0.074 nan 8.190 nan 0.000 0.473 526 R N 3.143 123.743 120.500 0.167 0.000 2.513 526 R HA 0.791 5.129 4.340 -0.003 0.000 0.301 526 R C -0.675 175.748 176.300 0.204 0.000 0.968 526 R CA -0.134 56.042 56.100 0.127 0.000 0.872 526 R CB 2.028 32.367 30.300 0.066 0.000 1.177 526 R HN 0.873 nan 8.270 nan 0.000 0.444 527 A N 2.443 125.375 122.820 0.187 0.000 2.356 527 A HA 0.671 4.989 4.320 -0.003 0.000 0.310 527 A C -1.382 176.270 177.584 0.113 0.000 1.075 527 A CA -0.701 51.475 52.037 0.232 0.000 0.746 527 A CB 1.056 20.282 19.000 0.377 0.000 1.221 527 A HN 0.736 nan 8.150 nan 0.000 0.443 528 D N 1.144 121.596 120.400 0.085 0.000 2.896 528 D HA 0.575 5.213 4.640 -0.003 0.000 0.241 528 D C -0.929 175.268 176.300 -0.171 0.000 1.188 528 D CA -0.021 53.920 54.000 -0.098 0.000 0.879 528 D CB 1.879 42.613 40.800 -0.109 0.000 1.553 528 D HN 0.467 nan 8.370 nan 0.000 0.515 529 I N 2.315 122.709 120.570 -0.293 0.000 2.433 529 I HA 0.394 4.562 4.170 -0.003 0.000 0.292 529 I C -1.083 174.776 176.117 -0.431 0.000 1.001 529 I CA -0.891 60.287 61.300 -0.204 0.000 1.119 529 I CB 1.098 39.046 38.000 -0.087 0.000 1.289 529 I HN 0.290 nan 8.210 nan 0.000 0.438 530 Y N 4.445 124.763 120.300 0.032 0.000 2.350 530 Y HA 0.360 4.908 4.550 -0.003 0.000 0.338 530 Y C 0.171 176.102 175.900 0.051 0.000 0.961 530 Y CA -0.930 57.175 58.100 0.008 0.000 1.100 530 Y CB 1.615 40.042 38.460 -0.056 0.000 1.179 530 Y HN 0.436 nan 8.280 nan 0.000 0.454 531 K N 3.772 124.277 120.400 0.174 0.000 2.382 531 K HA 0.362 4.680 4.320 -0.003 0.000 0.275 531 K C -1.030 175.652 176.600 0.137 0.000 1.009 531 K CA 0.103 56.485 56.287 0.159 0.000 0.970 531 K CB 0.382 32.946 32.500 0.106 0.000 0.934 531 K HN 0.717 nan 8.250 nan 0.000 0.479 532 I N 3.494 124.143 120.570 0.130 0.000 2.433 532 I HA 0.304 4.472 4.170 -0.003 0.000 0.292 532 I C 0.017 176.190 176.117 0.094 0.000 1.001 532 I CA -0.869 60.459 61.300 0.046 0.000 1.119 532 I CB 1.905 39.818 38.000 -0.145 0.000 1.289 532 I HN 0.703 nan 8.210 nan 0.000 0.438 533 A N 4.252 127.114 122.820 0.069 0.000 2.257 533 A HA 0.552 4.870 4.320 -0.003 0.000 0.289 533 A C 0.158 177.796 177.584 0.091 0.000 1.095 533 A CA -0.350 51.741 52.037 0.089 0.000 0.836 533 A CB 1.068 20.111 19.000 0.072 0.000 1.111 533 A HN 0.645 nan 8.150 nan 0.000 0.497 534 S N -1.028 114.737 115.700 0.109 0.000 2.562 534 S HA 0.258 4.727 4.470 -0.003 0.000 0.281 534 S C 1.392 175.979 174.600 -0.020 0.000 1.333 534 S CA 0.280 58.538 58.200 0.097 0.000 1.052 534 S CB 0.288 63.593 63.200 0.175 0.000 0.884 534 S HN 1.129 nan 8.310 nan 0.000 0.506 535 T N 1.685 116.097 114.554 -0.238 0.000 3.107 535 T HA 0.216 4.565 4.350 -0.003 0.000 0.249 535 T C 0.407 174.911 174.700 -0.328 0.000 1.096 535 T CA -0.482 61.358 62.100 -0.434 0.000 1.012 535 T CB -0.188 68.198 68.868 -0.803 0.000 0.977 535 T HN 0.618 nan 8.240 nan 0.000 0.527 536 W N 0.000 121.269 121.300 -0.051 0.000 2.388 536 W HA 0.000 4.658 4.660 -0.003 0.000 0.303 536 W CA 0.000 57.285 57.345 -0.100 0.000 1.226 536 W CB 0.000 29.300 29.460 -0.266 0.000 1.126 536 W HN 0.000 nan 8.180 nan 0.000 0.535