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 3flc_1_O DATA FIRST_RESID 3 DATA SEQUENCE EKNYVMAIDQ GTTSSRAIIF DRNGKKIGSS QKEFPQYFPK SGWVEHNANE DATA SEQUENCE IWNSVQSVIA GAFIESGIRP EAIAGIGITN QRETTVVWDK TTGQPIANAI DATA SEQUENCE VWQSRQSSPI ADQLKVDGHT EMIHEKTGLV IDAYFSATKV RWLLDNIEGA DATA SEQUENCE QEKADNGELL FGTIDSWLVW KLTDGQVHVT DYSNASRTML YNIHKLEWDQ DATA SEQUENCE EILDLLNIPS SMLPEVKSNS EVYGHTRSYR FYGSEVPIAG MAGDQQAALF DATA SEQUENCE GQMAFEKGMI KNTYGTGAFI VMNTGEEPQL XDNDLLTTIG YGINGKVYYA DATA SEQUENCE LEGSIFVAGS AIQWLRDGLR MIETSPQSEE LAAKAKGDNE VYVVPAFTGL DATA SEQUENCE GAXYWDSEAR GAVFGLTRGT TKEDFVRATL QAVAYQSKDV IDTMKKDSGI DATA SEQUENCE DIPLLKVDGG AAKNDLLMQF QADILDIDVQ RAANLETTAL GAAYLAGLAV DATA SEQUENCE GFWKDLDELK SMAEEGQMFT PEMPAEERDN LYEGWKQAVA ATQTFKF 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.630 176.600 0.050 0.000 1.382 3 E CA 0.000 56.420 56.400 0.033 0.000 0.976 3 E CB 0.000 29.717 29.700 0.029 0.000 0.812 4 K N 2.402 122.829 120.400 0.044 0.000 2.319 4 K HA 0.271 4.591 4.320 0.001 0.000 0.237 4 K C -0.302 176.341 176.600 0.071 0.000 1.113 4 K CA 0.021 56.345 56.287 0.062 0.000 1.072 4 K CB -0.191 32.342 32.500 0.055 0.000 1.734 4 K HN 0.349 nan 8.250 nan 0.000 0.429 5 N N -0.125 118.558 118.700 -0.028 0.000 2.238 5 N HA 0.074 4.814 4.740 0.001 0.000 0.222 5 N C -0.752 174.543 175.510 -0.360 0.000 1.133 5 N CA -0.376 52.586 53.050 -0.147 0.000 0.854 5 N CB 0.228 38.479 38.487 -0.393 0.000 1.041 5 N HN 0.111 nan 8.380 nan 0.000 0.510 6 Y N -0.428 119.912 120.300 0.066 0.000 2.588 6 Y HA 0.590 5.141 4.550 0.001 0.000 0.343 6 Y C -0.608 175.049 175.900 -0.405 0.000 1.065 6 Y CA -1.153 56.911 58.100 -0.061 0.000 1.038 6 Y CB 1.837 40.335 38.460 0.062 0.000 1.297 6 Y HN -0.282 nan 8.280 nan 0.000 0.467 7 V N 3.048 122.888 119.914 -0.124 0.000 2.789 7 V HA 0.496 4.617 4.120 0.001 0.000 0.311 7 V C -0.751 175.414 176.094 0.118 0.000 1.073 7 V CA -0.909 61.293 62.300 -0.162 0.000 0.921 7 V CB 2.110 33.767 31.823 -0.277 0.000 1.009 7 V HN 0.808 nan 8.190 nan 0.000 0.426 8 M N 3.996 123.654 119.600 0.097 0.000 2.383 8 M HA 0.855 5.336 4.480 0.001 0.000 0.325 8 M C -0.639 175.740 176.300 0.132 0.000 1.092 8 M CA -0.492 54.867 55.300 0.099 0.000 0.961 8 M CB 1.715 34.359 32.600 0.073 0.000 1.672 8 M HN 0.767 nan 8.290 nan 0.000 0.438 9 A N 5.906 128.826 122.820 0.167 0.000 2.331 9 A HA 0.770 5.091 4.320 0.001 0.000 0.320 9 A C -1.163 176.480 177.584 0.099 0.000 1.138 9 A CA -0.727 51.413 52.037 0.171 0.000 0.790 9 A CB 0.778 19.960 19.000 0.305 0.000 1.206 9 A HN 0.908 nan 8.150 nan 0.000 0.470 10 I N 2.148 122.768 120.570 0.085 0.000 2.362 10 I HA 0.264 4.435 4.170 0.001 0.000 0.289 10 I C -0.906 175.259 176.117 0.080 0.000 0.994 10 I CA -0.397 60.946 61.300 0.071 0.000 1.158 10 I CB 1.877 39.928 38.000 0.084 0.000 1.315 10 I HN 0.598 nan 8.210 nan 0.000 0.451 11 D N 6.678 127.127 120.400 0.082 0.000 2.472 11 D HA 0.066 4.707 4.640 0.001 0.000 0.234 11 D C -0.404 175.964 176.300 0.113 0.000 1.088 11 D CA -0.367 53.691 54.000 0.095 0.000 0.882 11 D CB 1.015 41.874 40.800 0.099 0.000 1.037 11 D HN 0.263 nan 8.370 nan 0.000 0.520 12 Q N 3.096 122.969 119.800 0.121 0.000 2.472 12 Q HA 0.377 4.718 4.340 0.001 0.000 0.227 12 Q C 0.001 176.125 176.000 0.206 0.000 1.156 12 Q CA -0.444 55.444 55.803 0.142 0.000 0.924 12 Q CB 0.603 29.415 28.738 0.122 0.000 1.354 12 Q HN 0.619 nan 8.270 nan 0.000 0.525 13 G N 1.728 110.687 108.800 0.266 0.000 2.588 13 G HA2 0.204 4.165 3.960 0.001 0.000 0.281 13 G HA3 0.204 4.165 3.960 0.001 0.000 0.281 13 G C 0.705 175.900 174.900 0.493 0.000 1.236 13 G CA -0.171 45.124 45.100 0.325 0.000 0.969 13 G HN 0.547 nan 8.290 nan 0.000 0.504 14 T N -0.371 114.492 114.554 0.516 0.000 2.904 14 T HA -0.054 4.296 4.350 0.001 0.000 0.267 14 T C 2.275 177.173 174.700 0.330 0.000 1.059 14 T CA 1.860 64.351 62.100 0.652 0.000 1.137 14 T CB -0.093 69.229 68.868 0.756 0.000 0.879 14 T HN 0.418 nan 8.240 nan 0.000 0.467 15 T N 1.037 115.678 114.554 0.145 0.000 3.000 15 T HA 0.243 4.594 4.350 0.001 0.000 0.248 15 T C 0.746 175.252 174.700 -0.324 0.000 1.034 15 T CA 0.272 62.271 62.100 -0.170 0.000 1.060 15 T CB 0.264 69.142 68.868 0.016 0.000 0.983 15 T HN 0.511 nan 8.240 nan 0.000 0.482 16 S N -0.136 115.609 115.700 0.074 0.000 2.625 16 S HA 0.701 5.172 4.470 0.001 0.000 0.271 16 S C -1.279 173.541 174.600 0.367 0.000 1.161 16 S CA -0.819 57.511 58.200 0.217 0.000 0.820 16 S CB 2.008 65.268 63.200 0.100 0.000 1.137 16 S HN -0.017 nan 8.310 nan 0.000 0.470 17 S N 0.243 116.117 115.700 0.291 0.000 2.537 17 S HA 0.772 5.242 4.470 0.001 0.000 0.301 17 S C -0.651 174.007 174.600 0.097 0.000 1.092 17 S CA -0.884 57.419 58.200 0.172 0.000 1.048 17 S CB 1.085 64.342 63.200 0.095 0.000 1.053 17 S HN 0.665 nan 8.310 nan 0.000 0.501 18 R N 0.565 121.105 120.500 0.068 0.000 2.698 18 R HA 0.760 5.101 4.340 0.001 0.000 0.275 18 R C -1.449 174.850 176.300 -0.003 0.000 1.001 18 R CA -0.775 55.340 56.100 0.025 0.000 0.896 18 R CB 2.083 32.406 30.300 0.039 0.000 1.218 18 R HN 0.653 nan 8.270 nan 0.000 0.462 19 A N 3.311 126.094 122.820 -0.061 0.000 2.359 19 A HA 0.721 5.041 4.320 0.001 0.000 0.303 19 A C -0.856 176.626 177.584 -0.171 0.000 1.066 19 A CA -0.605 51.370 52.037 -0.102 0.000 0.730 19 A CB 0.908 19.811 19.000 -0.162 0.000 1.211 19 A HN 0.620 nan 8.150 nan 0.000 0.439 20 I N 2.612 123.071 120.570 -0.186 0.000 2.582 20 I HA 0.427 4.598 4.170 0.001 0.000 0.292 20 I C -0.871 174.972 176.117 -0.457 0.000 1.066 20 I CA -0.501 60.574 61.300 -0.375 0.000 1.053 20 I CB 2.226 39.941 38.000 -0.475 0.000 1.241 20 I HN 0.520 nan 8.210 nan 0.000 0.421 21 I N 5.326 125.584 120.570 -0.520 0.000 2.354 21 I HA 0.411 4.581 4.170 0.001 0.000 0.292 21 I C -0.961 174.937 176.117 -0.365 0.000 0.989 21 I CA -0.354 60.745 61.300 -0.335 0.000 1.188 21 I CB 1.065 38.881 38.000 -0.306 0.000 1.342 21 I HN 0.298 nan 8.210 nan 0.000 0.457 22 F N 3.445 123.485 119.950 0.151 0.000 2.538 22 F HA 0.369 4.896 4.527 0.001 0.000 0.325 22 F C 0.342 176.412 175.800 0.449 0.000 1.066 22 F CA -0.835 57.330 58.000 0.274 0.000 0.946 22 F CB 1.261 40.450 39.000 0.316 0.000 1.199 22 F HN 0.468 nan 8.300 nan 0.000 0.473 23 D N 0.100 120.910 120.400 0.682 0.000 2.506 23 D HA 0.283 4.923 4.640 0.001 0.000 0.272 23 D C 0.829 177.508 176.300 0.632 0.000 1.214 23 D CA -0.627 53.734 54.000 0.602 0.000 1.067 23 D CB 0.502 41.565 40.800 0.438 0.000 1.117 23 D HN 0.432 nan 8.370 nan 0.000 0.578 24 R N -0.898 119.810 120.500 0.346 0.000 2.241 24 R HA -0.015 4.326 4.340 0.001 0.000 0.224 24 R C 0.546 177.103 176.300 0.429 0.000 1.101 24 R CA 0.714 56.855 56.100 0.069 0.000 0.995 24 R CB -0.382 29.713 30.300 -0.341 0.000 0.870 24 R HN 0.425 nan 8.270 nan 0.000 0.463 25 N N -0.012 118.915 118.700 0.378 0.000 2.268 25 N HA 0.030 4.771 4.740 0.001 0.000 0.204 25 N C 0.658 176.391 175.510 0.371 0.000 1.124 25 N CA 0.729 53.970 53.050 0.319 0.000 0.838 25 N CB 1.211 39.821 38.487 0.204 0.000 0.994 25 N HN 0.322 nan 8.380 nan 0.000 0.489 26 G N 1.496 110.642 108.800 0.577 0.000 2.179 26 G HA2 -0.320 3.640 3.960 0.001 0.000 0.257 26 G HA3 -0.320 3.640 3.960 0.001 0.000 0.257 26 G C 0.108 175.283 174.900 0.458 0.000 1.010 26 G CA 0.347 45.742 45.100 0.493 0.000 0.736 26 G HN 0.415 nan 8.290 nan 0.000 0.513 27 K N 0.417 121.096 120.400 0.465 0.000 2.172 27 K HA 0.420 4.740 4.320 0.001 0.000 0.276 27 K C 0.643 177.476 176.600 0.389 0.000 1.013 27 K CA -0.791 55.718 56.287 0.371 0.000 0.913 27 K CB 0.490 33.144 32.500 0.256 0.000 1.055 27 K HN 0.158 nan 8.250 nan 0.000 0.461 28 K N 5.776 126.329 120.400 0.255 0.000 2.378 28 K HA 0.055 4.376 4.320 0.001 0.000 0.288 28 K C 0.813 177.390 176.600 -0.037 0.000 1.057 28 K CA -0.015 56.247 56.287 -0.043 0.000 0.971 28 K CB 0.245 32.705 32.500 -0.067 0.000 0.975 28 K HN 0.731 nan 8.250 nan 0.000 0.475 29 I N 0.580 121.090 120.570 -0.100 0.000 3.939 29 I HA 0.394 4.565 4.170 0.001 0.000 0.313 29 I C 0.513 176.540 176.117 -0.150 0.000 1.274 29 I CA -0.380 60.874 61.300 -0.075 0.000 1.301 29 I CB 0.945 38.911 38.000 -0.056 0.000 1.105 29 I HN 0.528 nan 8.210 nan 0.000 0.427 30 G N 0.774 109.437 108.800 -0.228 0.000 2.732 30 G HA2 0.596 4.557 3.960 0.001 0.000 0.296 30 G HA3 0.596 4.557 3.960 0.001 0.000 0.296 30 G C -1.265 173.472 174.900 -0.271 0.000 1.448 30 G CA 0.085 45.048 45.100 -0.228 0.000 0.911 30 G HN 0.389 nan 8.290 nan 0.000 0.528 31 S N -0.979 114.593 115.700 -0.214 0.000 2.588 31 S HA 0.887 5.358 4.470 0.001 0.000 0.269 31 S C -0.990 173.518 174.600 -0.154 0.000 1.157 31 S CA -0.412 57.667 58.200 -0.201 0.000 0.824 31 S CB 1.865 64.963 63.200 -0.170 0.000 1.126 31 S HN 1.858 nan 8.310 nan 0.000 0.464 32 S N 0.078 115.697 115.700 -0.135 0.000 2.535 32 S HA 0.592 5.063 4.470 0.001 0.000 0.272 32 S C -1.986 172.574 174.600 -0.066 0.000 1.149 32 S CA -0.436 57.702 58.200 -0.103 0.000 0.888 32 S CB 1.814 64.936 63.200 -0.131 0.000 1.110 32 S HN 0.939 nan 8.310 nan 0.000 0.463 33 Q N 2.007 121.785 119.800 -0.036 0.000 2.372 33 Q HA 0.714 5.055 4.340 0.001 0.000 0.273 33 Q C -1.832 174.174 176.000 0.009 0.000 1.078 33 Q CA -0.786 55.016 55.803 -0.002 0.000 0.806 33 Q CB 1.596 30.341 28.738 0.011 0.000 1.332 33 Q HN 0.516 nan 8.270 nan 0.000 0.435 34 K N 1.977 122.403 120.400 0.042 0.000 2.581 34 K HA 0.285 4.606 4.320 0.001 0.000 0.249 34 K C -1.514 175.156 176.600 0.117 0.000 0.966 34 K CA -0.237 56.083 56.287 0.056 0.000 0.811 34 K CB 1.668 34.192 32.500 0.040 0.000 1.223 34 K HN 0.599 nan 8.250 nan 0.000 0.438 35 E N 2.811 123.052 120.200 0.069 0.000 2.371 35 E HA 0.385 4.736 4.350 0.001 0.000 0.257 35 E C -0.474 176.183 176.600 0.094 0.000 1.134 35 E CA -0.460 55.950 56.400 0.016 0.000 0.919 35 E CB 0.576 30.237 29.700 -0.065 0.000 1.025 35 E HN 0.455 nan 8.360 nan 0.000 0.438 36 F N -1.764 118.150 119.950 -0.059 0.000 2.626 36 F HA 0.560 5.088 4.527 0.001 0.000 0.311 36 F C -2.845 172.871 175.800 -0.139 0.000 1.088 36 F CA -3.423 54.530 58.000 -0.080 0.000 0.949 36 F CB -0.007 38.948 39.000 -0.076 0.000 1.322 36 F HN 0.140 nan 8.300 nan 0.000 0.461 37 P HA 0.094 nan 4.420 nan 0.000 0.264 37 P C -1.111 175.880 177.300 -0.515 0.000 1.183 37 P CA 0.154 63.053 63.100 -0.335 0.000 0.763 37 P CB 0.482 32.002 31.700 -0.300 0.000 0.807 38 Q N 2.475 121.872 119.800 -0.672 0.000 2.316 38 Q HA 0.374 4.714 4.340 0.001 0.000 0.264 38 Q C -0.893 174.456 176.000 -1.086 0.000 0.987 38 Q CA -0.365 55.068 55.803 -0.617 0.000 0.852 38 Q CB 1.438 29.907 28.738 -0.449 0.000 1.287 38 Q HN 0.472 nan 8.270 nan 0.000 0.448 39 Y N 1.300 121.267 120.300 -0.553 0.000 2.364 39 Y HA 0.449 5.000 4.550 0.001 0.000 0.340 39 Y C -0.215 175.340 175.900 -0.574 0.000 0.975 39 Y CA -0.753 57.039 58.100 -0.513 0.000 1.089 39 Y CB 1.242 39.611 38.460 -0.153 0.000 1.192 39 Y HN 0.442 nan 8.280 nan 0.000 0.454 40 F N 4.005 124.050 119.950 0.158 0.000 2.531 40 F HA 0.302 4.829 4.527 0.001 0.000 0.333 40 F C -1.579 174.255 175.800 0.057 0.000 1.292 40 F CA -1.676 56.374 58.000 0.083 0.000 1.184 40 F CB 0.739 39.748 39.000 0.015 0.000 1.426 40 F HN 0.441 nan 8.300 nan 0.000 0.559 41 P HA -0.093 nan 4.420 nan 0.000 0.218 41 P C -0.204 177.002 177.300 -0.157 0.000 1.149 41 P CA 1.295 64.415 63.100 0.032 0.000 0.817 41 P CB 0.630 32.363 31.700 0.055 0.000 0.785 42 K N -1.383 118.858 120.400 -0.265 0.000 2.533 42 K HA 0.341 4.662 4.320 0.001 0.000 0.272 42 K C -0.551 175.908 176.600 -0.235 0.000 0.985 42 K CA -0.806 55.191 56.287 -0.483 0.000 0.876 42 K CB 1.590 33.335 32.500 -1.259 0.000 1.452 42 K HN -0.291 nan 8.250 nan 0.000 0.439 43 S N 0.339 115.924 115.700 -0.192 0.000 2.737 43 S HA 0.159 4.629 4.470 0.001 0.000 0.315 43 S C 1.147 175.716 174.600 -0.052 0.000 1.236 43 S CA 1.694 59.757 58.200 -0.229 0.000 1.093 43 S CB -0.918 61.949 63.200 -0.555 0.000 0.832 43 S HN 0.863 nan 8.310 nan 0.000 0.507 44 G N 4.433 113.209 108.800 -0.041 0.000 2.225 44 G HA2 -0.253 3.708 3.960 0.001 0.000 0.254 44 G HA3 -0.253 3.708 3.960 0.001 0.000 0.254 44 G C -0.150 174.863 174.900 0.188 0.000 0.988 44 G CA 0.168 45.301 45.100 0.054 0.000 0.625 44 G HN 0.649 nan 8.290 nan 0.000 0.527 45 W N 0.256 121.510 121.300 -0.077 0.000 2.272 45 W HA 0.633 5.294 4.660 0.001 0.000 0.318 45 W C 0.111 176.637 176.519 0.011 0.000 1.255 45 W CA -0.809 56.493 57.345 -0.072 0.000 1.200 45 W CB 1.332 30.760 29.460 -0.054 0.000 1.170 45 W HN 0.218 nan 8.180 nan 0.000 0.549 46 V N 3.566 123.540 119.914 0.101 0.000 2.567 46 V HA 0.361 4.481 4.120 0.001 0.000 0.298 46 V C -0.398 175.628 176.094 -0.113 0.000 1.047 46 V CA -1.221 61.123 62.300 0.072 0.000 0.880 46 V CB 1.385 33.178 31.823 -0.050 0.000 1.009 46 V HN 0.501 nan 8.190 nan 0.000 0.429 47 E N 3.179 123.348 120.200 -0.051 0.000 2.369 47 E HA 0.711 5.061 4.350 0.001 0.000 0.270 47 E C -1.524 175.163 176.600 0.146 0.000 0.909 47 E CA -1.023 55.352 56.400 -0.043 0.000 0.775 47 E CB 2.693 32.414 29.700 0.035 0.000 1.270 47 E HN 0.661 nan 8.360 nan 0.000 0.445 48 H N 0.466 119.668 119.070 0.220 0.000 2.865 48 H HA 0.300 4.856 4.556 0.001 0.000 0.372 48 H C -1.120 174.346 175.328 0.230 0.000 1.173 48 H CA -1.046 55.207 56.048 0.342 0.000 1.147 48 H CB 1.552 31.508 29.762 0.323 0.000 1.805 48 H HN 0.500 nan 8.280 nan 0.000 0.553 49 N N 0.309 119.267 118.700 0.430 0.000 2.439 49 N HA 0.337 5.078 4.740 0.001 0.000 0.249 49 N C 0.840 176.439 175.510 0.149 0.000 1.003 49 N CA -0.170 53.005 53.050 0.209 0.000 0.942 49 N CB 0.865 39.494 38.487 0.236 0.000 1.115 49 N HN 0.633 nan 8.380 nan 0.000 0.505 50 A N 3.892 126.721 122.820 0.016 0.000 1.978 50 A HA -0.201 4.119 4.320 0.001 0.000 0.220 50 A C 1.858 179.618 177.584 0.293 0.000 1.170 50 A CA 1.250 53.240 52.037 -0.077 0.000 0.636 50 A CB -0.332 18.229 19.000 -0.731 0.000 0.810 50 A HN 0.778 nan 8.150 nan 0.000 0.448 51 N N -0.116 118.749 118.700 0.274 0.000 2.216 51 N HA -0.103 4.638 4.740 0.001 0.000 0.183 51 N C 1.600 177.294 175.510 0.307 0.000 1.017 51 N CA 1.418 54.702 53.050 0.390 0.000 0.861 51 N CB -0.349 38.305 38.487 0.279 0.000 0.986 51 N HN 0.672 nan 8.380 nan 0.000 0.428 52 E N 0.582 120.906 120.200 0.208 0.000 2.150 52 E HA -0.030 4.320 4.350 0.001 0.000 0.193 52 E C 1.949 178.566 176.600 0.030 0.000 0.985 52 E CA 0.441 56.930 56.400 0.148 0.000 0.814 52 E CB 0.028 29.852 29.700 0.206 0.000 0.752 52 E HN 0.336 nan 8.360 nan 0.000 0.466 53 I N 0.684 121.222 120.570 -0.053 0.000 2.179 53 I HA -0.259 3.912 4.170 0.001 0.000 0.242 53 I C 2.408 178.538 176.117 0.021 0.000 1.088 53 I CA 1.053 62.165 61.300 -0.313 0.000 1.357 53 I CB -0.354 37.496 38.000 -0.249 0.000 1.051 53 I HN 0.398 nan 8.210 nan 0.000 0.409 54 W N 2.485 123.822 121.300 0.062 0.000 2.335 54 W HA -0.275 4.385 4.660 0.001 0.000 0.311 54 W C 2.180 178.701 176.519 0.003 0.000 1.213 54 W CA 1.452 58.809 57.345 0.020 0.000 1.274 54 W CB -0.267 29.206 29.460 0.021 0.000 1.148 54 W HN 0.197 nan 8.180 nan 0.000 0.498 55 N N 0.736 119.352 118.700 -0.140 0.000 2.166 55 N HA -0.200 4.540 4.740 0.001 0.000 0.186 55 N C 1.988 177.369 175.510 -0.215 0.000 1.019 55 N CA 2.337 55.226 53.050 -0.268 0.000 0.856 55 N CB -1.036 37.410 38.487 -0.068 0.000 0.993 55 N HN 0.263 nan 8.380 nan 0.000 0.426 56 S N -0.014 115.615 115.700 -0.118 0.000 2.399 56 S HA -0.047 4.423 4.470 0.001 0.000 0.231 56 S C 2.137 176.674 174.600 -0.105 0.000 1.022 56 S CA 0.870 59.032 58.200 -0.064 0.000 0.983 56 S CB -0.669 62.535 63.200 0.006 0.000 0.803 56 S HN 0.038 nan 8.310 nan 0.000 0.480 57 V N 2.230 122.049 119.914 -0.157 0.000 2.307 57 V HA -0.168 3.953 4.120 0.001 0.000 0.245 57 V C 2.916 178.867 176.094 -0.238 0.000 1.045 57 V CA 2.072 64.288 62.300 -0.139 0.000 1.024 57 V CB -0.908 30.894 31.823 -0.035 0.000 0.651 57 V HN 0.559 nan 8.190 nan 0.000 0.449 58 Q N -0.339 119.174 119.800 -0.478 0.000 2.124 58 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 58 Q C 2.477 178.407 176.000 -0.116 0.000 0.977 58 Q CA 1.864 57.461 55.803 -0.342 0.000 0.850 58 Q CB -0.265 28.146 28.738 -0.545 0.000 0.901 58 Q HN 0.587 nan 8.270 nan 0.000 0.429 59 S N 0.701 116.317 115.700 -0.140 0.000 2.368 59 S HA -0.134 4.337 4.470 0.001 0.000 0.225 59 S C 2.247 176.777 174.600 -0.117 0.000 1.030 59 S CA 1.533 59.679 58.200 -0.091 0.000 0.999 59 S CB -0.330 62.831 63.200 -0.066 0.000 0.844 59 S HN 0.457 nan 8.310 nan 0.000 0.459 60 V N 0.099 119.943 119.914 -0.117 0.000 2.667 60 V HA 0.025 4.145 4.120 0.001 0.000 0.252 60 V C 1.853 177.816 176.094 -0.218 0.000 1.065 60 V CA 1.091 63.311 62.300 -0.133 0.000 1.083 60 V CB -0.924 30.849 31.823 -0.084 0.000 0.692 60 V HN 0.402 nan 8.190 nan 0.000 0.468 61 I N 1.344 121.776 120.570 -0.230 0.000 2.179 61 I HA -0.155 4.016 4.170 0.001 0.000 0.242 61 I C 2.964 178.741 176.117 -0.567 0.000 1.088 61 I CA 1.738 62.819 61.300 -0.365 0.000 1.357 61 I CB -0.623 37.273 38.000 -0.173 0.000 1.051 61 I HN 0.371 nan 8.210 nan 0.000 0.409 62 A N 0.872 123.351 122.820 -0.568 0.000 1.877 62 A HA -0.124 4.196 4.320 0.001 0.000 0.216 62 A C 2.439 179.844 177.584 -0.298 0.000 1.186 62 A CA 1.869 53.552 52.037 -0.591 0.000 0.620 62 A CB -1.493 17.261 19.000 -0.410 0.000 0.822 62 A HN 0.461 nan 8.150 nan 0.000 0.443 63 G N -0.389 108.271 108.800 -0.234 0.000 2.440 63 G HA2 -0.061 3.899 3.960 0.001 0.000 0.218 63 G HA3 -0.061 3.899 3.960 0.001 0.000 0.218 63 G C 1.756 176.537 174.900 -0.198 0.000 1.154 63 G CA 1.652 46.650 45.100 -0.171 0.000 0.767 63 G HN 0.838 nan 8.290 nan 0.000 0.552 64 A N 0.207 122.851 122.820 -0.295 0.000 1.902 64 A HA 0.137 4.458 4.320 0.001 0.000 0.217 64 A C 2.240 179.632 177.584 -0.321 0.000 1.181 64 A CA 1.279 53.107 52.037 -0.348 0.000 0.623 64 A CB -0.516 18.193 19.000 -0.486 0.000 0.818 64 A HN 0.377 nan 8.150 nan 0.000 0.443 65 F N -0.271 119.513 119.950 -0.276 0.000 2.146 65 F HA -0.086 4.441 4.527 0.001 0.000 0.298 65 F C 2.208 177.881 175.800 -0.212 0.000 1.096 65 F CA 0.963 58.801 58.000 -0.271 0.000 1.275 65 F CB -0.216 38.568 39.000 -0.361 0.000 1.008 65 F HN 0.119 nan 8.300 nan 0.000 0.480 66 I N 0.107 120.670 120.570 -0.012 0.000 2.179 66 I HA -0.295 3.876 4.170 0.001 0.000 0.242 66 I C 2.508 178.596 176.117 -0.049 0.000 1.088 66 I CA 1.645 62.921 61.300 -0.041 0.000 1.357 66 I CB -0.487 37.477 38.000 -0.060 0.000 1.051 66 I HN 0.202 nan 8.210 nan 0.000 0.409 67 E N 0.988 121.145 120.200 -0.072 0.000 2.072 67 E HA -0.232 4.118 4.350 0.001 0.000 0.191 67 E C 2.196 178.754 176.600 -0.071 0.000 0.985 67 E CA 1.807 58.164 56.400 -0.072 0.000 0.801 67 E CB 0.045 29.691 29.700 -0.090 0.000 0.750 67 E HN 0.510 nan 8.360 nan 0.000 0.452 68 S N -1.208 114.440 115.700 -0.087 0.000 2.496 68 S HA 0.147 4.617 4.470 0.001 0.000 0.224 68 S C 1.706 176.267 174.600 -0.066 0.000 0.996 68 S CA 0.720 58.863 58.200 -0.095 0.000 0.927 68 S CB 0.300 63.405 63.200 -0.158 0.000 0.774 68 S HN 0.547 nan 8.310 nan 0.000 0.524 69 G N 1.163 109.940 108.800 -0.037 0.000 2.184 69 G HA2 -0.224 3.736 3.960 0.001 0.000 0.264 69 G HA3 -0.224 3.736 3.960 0.001 0.000 0.264 69 G C 0.107 174.991 174.900 -0.026 0.000 0.975 69 G CA 0.313 45.396 45.100 -0.028 0.000 0.642 69 G HN 0.514 nan 8.290 nan 0.000 0.536 70 I N 1.508 122.064 120.570 -0.024 0.000 2.696 70 I HA 0.307 4.477 4.170 0.001 0.000 0.284 70 I C 1.246 177.367 176.117 0.007 0.000 1.129 70 I CA -0.248 61.037 61.300 -0.025 0.000 1.410 70 I CB 0.733 38.639 38.000 -0.156 0.000 1.399 70 I HN 0.496 nan 8.210 nan 0.000 0.579 71 R N 5.457 125.908 120.500 -0.082 0.000 2.668 71 R HA 0.513 4.854 4.340 0.001 0.000 0.279 71 R C -2.356 173.694 176.300 -0.417 0.000 0.976 71 R CA -1.582 54.319 56.100 -0.331 0.000 0.978 71 R CB 0.290 30.473 30.300 -0.196 0.000 1.133 71 R HN 0.164 nan 8.270 nan 0.000 0.484 72 P HA -0.292 nan 4.420 nan 0.000 0.216 72 P C 0.592 177.910 177.300 0.030 0.000 1.154 72 P CA 1.926 64.746 63.100 -0.467 0.000 0.865 72 P CB 0.028 31.431 31.700 -0.496 0.000 0.789 73 E N -0.436 119.753 120.200 -0.019 0.000 2.333 73 E HA -0.117 4.234 4.350 0.001 0.000 0.198 73 E C 1.569 178.226 176.600 0.095 0.000 1.007 73 E CA 1.094 57.525 56.400 0.052 0.000 0.845 73 E CB -0.755 28.955 29.700 0.017 0.000 0.766 73 E HN 0.169 nan 8.360 nan 0.000 0.507 74 A N 1.241 124.140 122.820 0.132 0.000 2.251 74 A HA 0.151 4.471 4.320 0.001 0.000 0.209 74 A C 0.736 178.474 177.584 0.256 0.000 1.187 74 A CA -0.167 51.997 52.037 0.211 0.000 0.823 74 A CB 0.041 19.234 19.000 0.322 0.000 0.846 74 A HN 0.140 nan 8.150 nan 0.000 0.486 75 I N 0.654 121.371 120.570 0.246 0.000 2.337 75 I HA 0.204 4.375 4.170 0.001 0.000 0.291 75 I C 1.456 177.613 176.117 0.066 0.000 1.046 75 I CA -0.027 61.398 61.300 0.207 0.000 1.324 75 I CB 0.438 38.651 38.000 0.354 0.000 1.409 75 I HN 0.221 nan 8.210 nan 0.000 0.494 76 A N 5.340 128.115 122.820 -0.075 0.000 2.016 76 A HA 0.391 4.712 4.320 0.001 0.000 0.217 76 A C 1.077 178.586 177.584 -0.126 0.000 1.162 76 A CA 1.052 53.019 52.037 -0.117 0.000 0.662 76 A CB -0.083 18.778 19.000 -0.231 0.000 0.812 76 A HN 0.833 nan 8.150 nan 0.000 0.450 77 G N -1.649 107.054 108.800 -0.162 0.000 2.579 77 G HA2 0.500 4.461 3.960 0.001 0.000 0.292 77 G HA3 0.500 4.461 3.960 0.001 0.000 0.292 77 G C -1.366 173.473 174.900 -0.102 0.000 1.484 77 G CA -0.669 44.352 45.100 -0.133 0.000 0.813 77 G HN 0.120 nan 8.290 nan 0.000 0.515 78 I N 0.817 121.324 120.570 -0.106 0.000 2.404 78 I HA 0.582 4.752 4.170 0.001 0.000 0.293 78 I C 0.691 176.804 176.117 -0.007 0.000 0.992 78 I CA -0.797 60.459 61.300 -0.072 0.000 1.149 78 I CB 2.270 40.158 38.000 -0.186 0.000 1.315 78 I HN 0.601 nan 8.210 nan 0.000 0.446 79 G N 7.039 115.863 108.800 0.041 0.000 2.372 79 G HA2 0.645 4.606 3.960 0.001 0.000 0.323 79 G HA3 0.645 4.606 3.960 0.001 0.000 0.323 79 G C -0.696 174.236 174.900 0.054 0.000 1.152 79 G CA -0.348 44.789 45.100 0.061 0.000 0.906 79 G HN 0.318 nan 8.290 nan 0.000 0.460 80 I N 1.599 122.193 120.570 0.040 0.000 2.378 80 I HA 0.489 4.660 4.170 0.001 0.000 0.291 80 I C 0.181 176.310 176.117 0.021 0.000 0.992 80 I CA -0.397 60.919 61.300 0.028 0.000 1.154 80 I CB 1.387 39.382 38.000 -0.007 0.000 1.315 80 I HN 0.386 nan 8.210 nan 0.000 0.448 81 T N 5.981 120.560 114.554 0.041 0.000 2.903 81 T HA 0.736 5.087 4.350 0.001 0.000 0.299 81 T C -0.966 173.769 174.700 0.058 0.000 1.093 81 T CA -0.633 61.489 62.100 0.037 0.000 1.002 81 T CB 2.012 70.903 68.868 0.040 0.000 1.127 81 T HN 0.914 nan 8.240 nan 0.000 0.488 82 N N 0.747 119.479 118.700 0.053 0.000 2.823 82 N HA 0.356 5.096 4.740 0.001 0.000 0.251 82 N C -1.501 174.050 175.510 0.069 0.000 1.392 82 N CA -1.228 51.874 53.050 0.086 0.000 0.864 82 N CB 0.816 39.362 38.487 0.098 0.000 1.481 82 N HN 0.675 nan 8.380 nan 0.000 0.508 83 Q N 0.492 120.377 119.800 0.140 0.000 2.274 83 Q HA 0.244 4.584 4.340 0.001 0.000 0.280 83 Q C -0.468 175.581 176.000 0.082 0.000 1.047 83 Q CA -0.138 55.741 55.803 0.127 0.000 0.907 83 Q CB 0.815 29.804 28.738 0.419 0.000 1.171 83 Q HN 0.425 nan 8.270 nan 0.000 0.381 84 R N 1.844 122.289 120.500 -0.092 0.000 2.574 84 R HA 0.124 4.464 4.340 0.001 0.000 0.266 84 R C 0.112 176.466 176.300 0.090 0.000 1.157 84 R CA -0.370 55.713 56.100 -0.028 0.000 1.187 84 R CB 0.332 30.560 30.300 -0.120 0.000 1.179 84 R HN 0.871 nan 8.270 nan 0.000 0.600 85 E N -1.475 118.799 120.200 0.123 0.000 5.229 85 E HA -0.258 4.092 4.350 0.001 0.000 0.167 85 E C -0.344 176.414 176.600 0.264 0.000 1.240 85 E CA 2.248 58.766 56.400 0.196 0.000 2.124 85 E CB -1.564 28.214 29.700 0.130 0.000 1.848 85 E HN 0.677 nan 8.360 nan 0.000 0.388 86 T N 2.050 116.793 114.554 0.315 0.000 2.819 86 T HA 0.102 4.453 4.350 0.001 0.000 0.282 86 T C 0.076 174.911 174.700 0.225 0.000 1.013 86 T CA 1.195 63.457 62.100 0.269 0.000 1.159 86 T CB 0.272 69.336 68.868 0.327 0.000 1.007 86 T HN 0.143 nan 8.240 nan 0.000 0.514 87 T N 4.165 118.834 114.554 0.192 0.000 2.779 87 T HA 0.536 4.886 4.350 0.001 0.000 0.280 87 T C -0.177 174.613 174.700 0.149 0.000 0.987 87 T CA -0.613 61.640 62.100 0.256 0.000 0.966 87 T CB 1.082 70.123 68.868 0.288 0.000 0.933 87 T HN 0.350 nan 8.240 nan 0.000 0.442 88 V N 3.679 123.680 119.914 0.144 0.000 2.555 88 V HA 0.654 4.774 4.120 0.001 0.000 0.302 88 V C -0.432 175.771 176.094 0.182 0.000 1.038 88 V CA -0.787 61.529 62.300 0.027 0.000 0.887 88 V CB 2.048 33.711 31.823 -0.268 0.000 0.991 88 V HN 0.663 nan 8.190 nan 0.000 0.434 89 V N 4.229 124.207 119.914 0.106 0.000 2.531 89 V HA 0.642 4.762 4.120 0.001 0.000 0.301 89 V C -0.929 175.195 176.094 0.050 0.000 1.034 89 V CA -0.485 61.828 62.300 0.021 0.000 0.865 89 V CB 1.652 33.479 31.823 0.006 0.000 0.995 89 V HN 1.057 nan 8.190 nan 0.000 0.424 90 W N 2.752 123.919 121.300 -0.222 0.000 3.029 90 W HA 0.672 5.332 4.660 0.001 0.000 0.339 90 W C -0.830 175.574 176.519 -0.193 0.000 1.198 90 W CA -0.922 56.294 57.345 -0.216 0.000 1.148 90 W CB 0.850 30.160 29.460 -0.251 0.000 1.451 90 W HN 0.507 nan 8.180 nan 0.000 0.564 91 D N 2.349 122.814 120.400 0.108 0.000 2.348 91 D HA 0.005 4.646 4.640 0.001 0.000 0.253 91 D C 1.121 177.487 176.300 0.110 0.000 1.161 91 D CA 0.020 54.041 54.000 0.033 0.000 0.876 91 D CB 1.457 42.308 40.800 0.086 0.000 1.160 91 D HN 0.697 nan 8.370 nan 0.000 0.459 92 K N 1.717 122.098 120.400 -0.032 0.000 2.362 92 K HA -0.071 4.250 4.320 0.001 0.000 0.200 92 K C 1.154 177.958 176.600 0.341 0.000 1.046 92 K CA 0.905 57.257 56.287 0.108 0.000 0.952 92 K CB 0.121 32.627 32.500 0.010 0.000 0.753 92 K HN 0.198 nan 8.250 nan 0.000 0.466 93 T N 0.890 115.573 114.554 0.214 0.000 2.925 93 T HA -0.085 4.265 4.350 0.001 0.000 0.245 93 T C 2.023 176.847 174.700 0.206 0.000 1.025 93 T CA 1.598 63.812 62.100 0.191 0.000 1.149 93 T CB -0.102 68.833 68.868 0.112 0.000 0.866 93 T HN 0.582 nan 8.240 nan 0.000 0.437 94 T N -0.741 113.928 114.554 0.192 0.000 3.043 94 T HA 0.297 4.647 4.350 0.001 0.000 0.263 94 T C 1.963 176.811 174.700 0.246 0.000 1.094 94 T CA 1.066 63.273 62.100 0.178 0.000 1.127 94 T CB -0.441 68.509 68.868 0.136 0.000 0.905 94 T HN 0.550 nan 8.240 nan 0.000 0.490 95 G N 0.878 109.896 108.800 0.363 0.000 2.168 95 G HA2 -0.288 3.672 3.960 0.001 0.000 0.263 95 G HA3 -0.288 3.672 3.960 0.001 0.000 0.263 95 G C -0.074 175.025 174.900 0.331 0.000 0.977 95 G CA 0.359 45.733 45.100 0.455 0.000 0.659 95 G HN 0.922 nan 8.290 nan 0.000 0.533 96 Q N 0.995 120.957 119.800 0.269 0.000 2.256 96 Q HA 0.602 4.942 4.340 0.001 0.000 0.254 96 Q C -2.332 173.777 176.000 0.181 0.000 0.916 96 Q CA -2.117 53.811 55.803 0.209 0.000 0.932 96 Q CB 1.199 30.026 28.738 0.147 0.000 1.207 96 Q HN 0.227 nan 8.270 nan 0.000 0.426 97 P HA -0.000 nan 4.420 nan 0.000 0.269 97 P C 0.164 177.488 177.300 0.040 0.000 1.209 97 P CA 0.186 63.293 63.100 0.011 0.000 0.776 97 P CB 0.428 32.035 31.700 -0.155 0.000 0.876 98 I N -0.482 120.109 120.570 0.035 0.000 3.251 98 I HA 0.373 4.543 4.170 0.001 0.000 0.277 98 I C 0.562 176.700 176.117 0.036 0.000 1.268 98 I CA 0.515 61.834 61.300 0.031 0.000 1.449 98 I CB -0.111 37.899 38.000 0.016 0.000 1.083 98 I HN 0.220 nan 8.210 nan 0.000 0.464 99 A N 0.550 123.388 122.820 0.031 0.000 2.456 99 A HA 0.402 4.723 4.320 0.001 0.000 0.294 99 A C -1.117 176.476 177.584 0.014 0.000 1.057 99 A CA -0.818 51.246 52.037 0.045 0.000 0.623 99 A CB 0.091 19.157 19.000 0.110 0.000 1.338 99 A HN 0.143 nan 8.150 nan 0.000 0.464 100 N N 0.624 119.332 118.700 0.013 0.000 2.374 100 N HA 0.420 5.161 4.740 0.001 0.000 0.241 100 N C 0.383 175.889 175.510 -0.006 0.000 1.262 100 N CA 0.943 53.987 53.050 -0.011 0.000 0.880 100 N CB 0.742 39.208 38.487 -0.035 0.000 1.105 100 N HN 1.039 nan 8.380 nan 0.000 0.438 101 A N 1.953 124.768 122.820 -0.008 0.000 2.407 101 A HA 0.360 4.681 4.320 0.001 0.000 0.248 101 A C 0.359 177.924 177.584 -0.033 0.000 1.082 101 A CA -0.292 51.736 52.037 -0.016 0.000 0.785 101 A CB 0.001 18.997 19.000 -0.006 0.000 1.020 101 A HN 0.653 nan 8.150 nan 0.000 0.489 102 I N 2.874 123.410 120.570 -0.056 0.000 2.304 102 I HA 0.181 4.351 4.170 0.001 0.000 0.291 102 I C -0.129 175.920 176.117 -0.114 0.000 1.018 102 I CA -0.533 60.675 61.300 -0.153 0.000 1.260 102 I CB 1.251 39.119 38.000 -0.221 0.000 1.390 102 I HN 0.336 nan 8.210 nan 0.000 0.475 103 V N 6.507 126.288 119.914 -0.221 0.000 2.963 103 V HA -0.061 4.059 4.120 0.001 0.000 0.306 103 V C 1.304 177.298 176.094 -0.166 0.000 1.077 103 V CA -0.258 61.894 62.300 -0.247 0.000 1.124 103 V CB 0.680 32.161 31.823 -0.570 0.000 0.987 103 V HN 0.924 nan 8.190 nan 0.000 0.487 104 W N 1.643 122.956 121.300 0.022 0.000 2.325 104 W HA -0.228 4.432 4.660 0.001 0.000 0.299 104 W C 1.493 177.989 176.519 -0.039 0.000 1.215 104 W CA 1.399 58.796 57.345 0.086 0.000 1.244 104 W CB -0.959 28.656 29.460 0.258 0.000 1.140 104 W HN 0.655 nan 8.180 nan 0.000 0.523 105 Q N 1.124 120.457 119.800 -0.778 0.000 2.170 105 Q HA -0.106 4.235 4.340 0.001 0.000 0.203 105 Q C 1.405 177.096 176.000 -0.516 0.000 0.976 105 Q CA 1.117 56.416 55.803 -0.841 0.000 0.858 105 Q CB -0.363 27.784 28.738 -0.985 0.000 0.907 105 Q HN 0.078 nan 8.270 nan 0.000 0.433 106 S N 0.454 115.916 115.700 -0.396 0.000 2.593 106 S HA -0.055 4.415 4.470 0.001 0.000 0.300 106 S C 0.785 175.191 174.600 -0.323 0.000 1.267 106 S CA -0.105 57.898 58.200 -0.329 0.000 1.065 106 S CB 0.380 63.352 63.200 -0.380 0.000 0.807 106 S HN 0.189 nan 8.310 nan 0.000 0.499 107 R N 2.942 123.275 120.500 -0.278 0.000 2.359 107 R HA 0.045 4.386 4.340 0.001 0.000 0.231 107 R C 2.019 178.099 176.300 -0.368 0.000 0.913 107 R CA 0.261 56.246 56.100 -0.192 0.000 1.075 107 R CB -0.388 29.911 30.300 -0.003 0.000 1.087 107 R HN 0.897 nan 8.270 nan 0.000 0.515 108 Q N 0.168 119.424 119.800 -0.908 0.000 2.291 108 Q HA -0.085 4.255 4.340 0.001 0.000 0.206 108 Q C 0.871 176.420 176.000 -0.751 0.000 0.976 108 Q CA 1.861 56.759 55.803 -1.508 0.000 0.875 108 Q CB -0.090 26.948 28.738 -2.833 0.000 0.927 108 Q HN 0.133 nan 8.270 nan 0.000 0.450 109 S N -0.966 114.453 115.700 -0.468 0.000 2.572 109 S HA 0.253 4.724 4.470 0.001 0.000 0.228 109 S C 1.315 175.922 174.600 0.011 0.000 0.963 109 S CA -0.102 58.039 58.200 -0.100 0.000 0.939 109 S CB 0.688 63.848 63.200 -0.066 0.000 0.804 109 S HN 0.230 nan 8.310 nan 0.000 0.480 110 S N 3.455 119.155 115.700 -0.001 0.000 2.370 110 S HA 0.009 4.479 4.470 0.001 0.000 0.226 110 S C -0.837 173.828 174.600 0.108 0.000 1.033 110 S CA 1.422 59.667 58.200 0.076 0.000 1.011 110 S CB -1.175 62.087 63.200 0.104 0.000 0.852 110 S HN 0.494 nan 8.310 nan 0.000 0.457 111 P HA -0.028 nan 4.420 nan 0.000 0.216 111 P C 1.187 178.552 177.300 0.108 0.000 1.150 111 P CA 0.908 64.081 63.100 0.121 0.000 0.837 111 P CB -0.070 31.715 31.700 0.141 0.000 0.786 112 I N -0.857 119.782 120.570 0.115 0.000 2.252 112 I HA -0.220 3.951 4.170 0.001 0.000 0.245 112 I C 2.316 178.493 176.117 0.100 0.000 1.102 112 I CA 1.368 62.728 61.300 0.101 0.000 1.385 112 I CB -0.816 37.249 38.000 0.108 0.000 1.064 112 I HN -0.087 nan 8.210 nan 0.000 0.414 113 A N 0.641 123.525 122.820 0.108 0.000 1.902 113 A HA -0.235 4.085 4.320 0.001 0.000 0.217 113 A C 1.970 179.627 177.584 0.120 0.000 1.181 113 A CA 1.997 54.107 52.037 0.122 0.000 0.623 113 A CB -0.609 18.473 19.000 0.136 0.000 0.818 113 A HN 0.342 nan 8.150 nan 0.000 0.443 114 D N -0.460 120.008 120.400 0.113 0.000 2.104 114 D HA -0.163 4.477 4.640 0.001 0.000 0.194 114 D C 2.107 178.459 176.300 0.087 0.000 0.994 114 D CA 1.324 55.385 54.000 0.102 0.000 0.830 114 D CB -0.330 40.527 40.800 0.095 0.000 0.959 114 D HN 0.350 nan 8.370 nan 0.000 0.452 115 Q N 0.264 120.115 119.800 0.084 0.000 2.096 115 Q HA -0.087 4.253 4.340 0.001 0.000 0.204 115 Q C 2.667 178.722 176.000 0.092 0.000 0.982 115 Q CA 0.584 56.432 55.803 0.075 0.000 0.850 115 Q CB -0.497 28.284 28.738 0.072 0.000 0.901 115 Q HN 0.402 nan 8.270 nan 0.000 0.422 116 L N 0.457 121.755 121.223 0.124 0.000 2.042 116 L HA -0.238 4.103 4.340 0.001 0.000 0.210 116 L C 2.397 179.356 176.870 0.148 0.000 1.076 116 L CA 1.385 56.343 54.840 0.196 0.000 0.749 116 L CB -0.308 41.856 42.059 0.176 0.000 0.893 116 L HN 0.190 nan 8.230 nan 0.000 0.432 117 K N -0.697 119.764 120.400 0.101 0.000 2.097 117 K HA -0.101 4.219 4.320 0.001 0.000 0.205 117 K C 2.022 178.628 176.600 0.011 0.000 1.050 117 K CA 0.957 57.281 56.287 0.062 0.000 0.938 117 K CB -0.158 32.390 32.500 0.079 0.000 0.718 117 K HN 0.099 nan 8.250 nan 0.000 0.442 118 V N 2.268 122.193 119.914 0.017 0.000 2.343 118 V HA -0.204 3.916 4.120 0.001 0.000 0.247 118 V C 1.060 177.119 176.094 -0.059 0.000 1.051 118 V CA 1.760 64.055 62.300 -0.008 0.000 1.036 118 V CB -0.343 31.487 31.823 0.012 0.000 0.654 118 V HN 0.280 nan 8.190 nan 0.000 0.451 119 D N 0.458 120.806 120.400 -0.085 0.000 2.338 119 D HA 0.145 4.785 4.640 0.001 0.000 0.239 119 D C 1.538 177.536 176.300 -0.502 0.000 1.095 119 D CA 0.956 54.824 54.000 -0.221 0.000 0.888 119 D CB -0.338 40.390 40.800 -0.120 0.000 0.899 119 D HN 0.519 nan 8.370 nan 0.000 0.525 120 G N 1.122 109.740 108.800 -0.304 0.000 2.314 120 G HA2 -0.321 3.639 3.960 0.001 0.000 0.292 120 G HA3 -0.321 3.639 3.960 0.001 0.000 0.292 120 G C 0.364 175.083 174.900 -0.302 0.000 1.059 120 G CA 0.178 45.120 45.100 -0.262 0.000 0.982 120 G HN 0.537 nan 8.290 nan 0.000 0.505 121 H N -1.349 117.723 119.070 0.002 0.000 2.652 121 H HA 0.189 4.746 4.556 0.001 0.000 0.274 121 H C 2.466 177.795 175.328 0.002 0.000 1.021 121 H CA 0.535 56.585 56.048 0.004 0.000 1.187 121 H CB 0.657 30.430 29.762 0.017 0.000 1.505 121 H HN 0.355 nan 8.280 nan 0.000 0.530 122 T N 0.747 115.339 114.554 0.064 0.000 2.635 122 T HA -0.238 4.112 4.350 0.001 0.000 0.267 122 T C 1.953 176.586 174.700 -0.110 0.000 1.040 122 T CA 1.926 64.028 62.100 0.004 0.000 1.156 122 T CB -0.043 68.782 68.868 -0.071 0.000 0.863 122 T HN 0.346 nan 8.240 nan 0.000 0.430 123 E N 1.043 121.152 120.200 -0.152 0.000 2.058 123 E HA -0.123 4.227 4.350 0.001 0.000 0.194 123 E C 2.133 178.720 176.600 -0.021 0.000 0.997 123 E CA 1.103 57.408 56.400 -0.158 0.000 0.801 123 E CB -0.516 29.121 29.700 -0.106 0.000 0.746 123 E HN 0.314 nan 8.360 nan 0.000 0.450 124 M N 0.190 119.806 119.600 0.025 0.000 2.108 124 M HA -0.157 4.323 4.480 0.001 0.000 0.261 124 M C 1.748 178.088 176.300 0.067 0.000 1.066 124 M CA 1.427 56.756 55.300 0.049 0.000 1.107 124 M CB -0.429 32.215 32.600 0.073 0.000 1.356 124 M HN 0.189 nan 8.290 nan 0.000 0.406 125 I N -0.061 120.566 120.570 0.096 0.000 2.226 125 I HA -0.312 3.858 4.170 0.001 0.000 0.245 125 I C 2.453 178.646 176.117 0.125 0.000 1.100 125 I CA 1.542 62.900 61.300 0.098 0.000 1.374 125 I CB -1.789 36.282 38.000 0.120 0.000 1.057 125 I HN 0.449 nan 8.210 nan 0.000 0.413 126 H N 0.676 119.734 119.070 -0.020 0.000 2.319 126 H HA -0.161 4.395 4.556 0.001 0.000 0.299 126 H C 2.110 177.438 175.328 0.001 0.000 1.092 126 H CA 1.447 57.480 56.048 -0.025 0.000 1.302 126 H CB 0.183 29.935 29.762 -0.017 0.000 1.373 126 H HN 0.458 nan 8.280 nan 0.000 0.497 127 E N 0.795 121.079 120.200 0.139 0.000 2.110 127 E HA -0.140 4.211 4.350 0.001 0.000 0.193 127 E C 2.054 178.717 176.600 0.105 0.000 0.988 127 E CA 0.931 57.369 56.400 0.063 0.000 0.804 127 E CB 0.086 29.789 29.700 0.004 0.000 0.745 127 E HN 0.450 nan 8.360 nan 0.000 0.458 128 K N -0.295 120.162 120.400 0.094 0.000 2.166 128 K HA -0.007 4.314 4.320 0.001 0.000 0.201 128 K C 2.193 178.819 176.600 0.044 0.000 1.052 128 K CA 1.480 57.826 56.287 0.099 0.000 0.969 128 K CB 0.308 32.828 32.500 0.033 0.000 0.761 128 K HN 0.135 nan 8.250 nan 0.000 0.459 129 T N -3.795 110.756 114.554 -0.005 0.000 2.971 129 T HA 0.207 4.557 4.350 0.001 0.000 0.252 129 T C 1.430 176.052 174.700 -0.130 0.000 1.022 129 T CA 0.523 62.572 62.100 -0.086 0.000 0.980 129 T CB 0.806 69.600 68.868 -0.122 0.000 1.044 129 T HN 0.278 nan 8.240 nan 0.000 0.501 130 G N 1.441 110.192 108.800 -0.082 0.000 2.179 130 G HA2 -0.203 3.758 3.960 0.001 0.000 0.260 130 G HA3 -0.203 3.758 3.960 0.001 0.000 0.260 130 G C -0.073 174.683 174.900 -0.240 0.000 0.977 130 G CA 0.484 45.521 45.100 -0.105 0.000 0.641 130 G HN 0.663 nan 8.290 nan 0.000 0.533 131 L N 0.230 121.241 121.223 -0.353 0.000 2.365 131 L HA 0.807 5.148 4.340 0.001 0.000 0.267 131 L C 1.091 177.612 176.870 -0.581 0.000 1.033 131 L CA -1.333 53.182 54.840 -0.542 0.000 0.802 131 L CB 1.561 43.044 42.059 -0.960 0.000 1.267 131 L HN 0.194 nan 8.230 nan 0.000 0.457 132 V N -1.321 118.283 119.914 -0.516 0.000 2.716 132 V HA 0.449 4.569 4.120 0.001 0.000 0.304 132 V C 0.076 176.158 176.094 -0.020 0.000 1.053 132 V CA -0.769 61.307 62.300 -0.373 0.000 0.984 132 V CB 1.508 32.973 31.823 -0.596 0.000 1.021 132 V HN 0.491 nan 8.190 nan 0.000 0.467 133 I N 3.643 124.287 120.570 0.123 0.000 2.505 133 I HA 0.334 4.504 4.170 0.001 0.000 0.287 133 I C 0.113 176.353 176.117 0.205 0.000 1.104 133 I CA 0.807 62.215 61.300 0.181 0.000 1.387 133 I CB -0.002 38.099 38.000 0.168 0.000 1.404 133 I HN 0.857 nan 8.210 nan 0.000 0.528 134 D N 4.382 124.955 120.400 0.288 0.000 2.654 134 D HA 0.256 4.897 4.640 0.001 0.000 0.231 134 D C 0.177 176.592 176.300 0.191 0.000 1.239 134 D CA -0.502 53.645 54.000 0.245 0.000 0.790 134 D CB 2.166 43.117 40.800 0.252 0.000 1.480 134 D HN 0.450 nan 8.370 nan 0.000 0.442 135 A N 2.049 124.954 122.820 0.141 0.000 2.178 135 A HA -0.189 4.132 4.320 0.001 0.000 0.218 135 A C 1.576 179.174 177.584 0.024 0.000 1.157 135 A CA 0.921 52.993 52.037 0.058 0.000 0.689 135 A CB -0.614 18.386 19.000 -0.000 0.000 0.787 135 A HN 0.634 nan 8.150 nan 0.000 0.465 136 Y N 0.329 120.505 120.300 -0.206 0.000 2.165 136 Y HA -0.114 4.436 4.550 0.001 0.000 0.286 136 Y C 0.224 175.904 175.900 -0.366 0.000 1.155 136 Y CA 0.057 57.937 58.100 -0.366 0.000 1.164 136 Y CB -0.697 37.482 38.460 -0.469 0.000 0.978 136 Y HN 0.240 nan 8.280 nan 0.000 0.513 137 F N -0.362 119.652 119.950 0.106 0.000 2.380 137 F HA 0.232 4.760 4.527 0.001 0.000 0.325 137 F C 1.934 177.755 175.800 0.035 0.000 1.136 137 F CA 0.080 58.065 58.000 -0.025 0.000 1.171 137 F CB 0.258 39.228 39.000 -0.049 0.000 1.230 137 F HN -0.314 nan 8.300 nan 0.000 0.554 138 S N 0.898 116.749 115.700 0.251 0.000 2.370 138 S HA -0.257 4.213 4.470 0.001 0.000 0.226 138 S C 2.283 176.891 174.600 0.013 0.000 1.033 138 S CA 1.277 59.576 58.200 0.164 0.000 1.011 138 S CB -0.635 62.736 63.200 0.285 0.000 0.852 138 S HN 0.741 nan 8.310 nan 0.000 0.457 139 A N 1.955 124.789 122.820 0.023 0.000 1.882 139 A HA -0.284 4.037 4.320 0.001 0.000 0.220 139 A C 2.493 180.057 177.584 -0.033 0.000 1.253 139 A CA 2.927 54.937 52.037 -0.045 0.000 0.664 139 A CB -1.852 17.163 19.000 0.024 0.000 0.838 139 A HN 0.684 nan 8.150 nan 0.000 0.460 140 T N -2.539 112.038 114.554 0.038 0.000 3.007 140 T HA -0.033 4.317 4.350 0.001 0.000 0.270 140 T C 1.612 176.347 174.700 0.058 0.000 1.107 140 T CA 1.505 63.635 62.100 0.050 0.000 1.118 140 T CB -0.249 68.665 68.868 0.076 0.000 0.889 140 T HN 0.599 nan 8.240 nan 0.000 0.506 141 K N 0.694 121.110 120.400 0.026 0.000 2.103 141 K HA 0.088 4.409 4.320 0.001 0.000 0.204 141 K C 2.308 178.948 176.600 0.067 0.000 1.052 141 K CA 0.918 57.221 56.287 0.028 0.000 0.945 141 K CB -0.307 32.194 32.500 0.002 0.000 0.722 141 K HN 0.197 nan 8.250 nan 0.000 0.443 142 V N 1.443 121.332 119.914 -0.042 0.000 2.358 142 V HA -0.222 3.899 4.120 0.001 0.000 0.246 142 V C 2.357 178.431 176.094 -0.034 0.000 1.047 142 V CA 1.682 63.924 62.300 -0.097 0.000 1.035 142 V CB -0.432 31.190 31.823 -0.336 0.000 0.658 142 V HN 0.217 nan 8.190 nan 0.000 0.452 143 R N -0.539 119.947 120.500 -0.024 0.000 2.081 143 R HA -0.225 4.116 4.340 0.001 0.000 0.235 143 R C 1.971 178.294 176.300 0.037 0.000 1.131 143 R CA 2.096 58.190 56.100 -0.009 0.000 0.960 143 R CB -0.950 29.350 30.300 0.001 0.000 0.856 143 R HN 0.608 nan 8.270 nan 0.000 0.436 144 W N 0.361 121.614 121.300 -0.080 0.000 2.338 144 W HA -0.173 4.488 4.660 0.001 0.000 0.304 144 W C 1.577 178.057 176.519 -0.064 0.000 1.212 144 W CA 1.770 59.068 57.345 -0.079 0.000 1.264 144 W CB -0.240 29.146 29.460 -0.123 0.000 1.142 144 W HN 0.121 nan 8.180 nan 0.000 0.512 145 L N 0.011 121.407 121.223 0.289 0.000 2.046 145 L HA -0.251 4.090 4.340 0.001 0.000 0.208 145 L C 2.369 179.205 176.870 -0.056 0.000 1.077 145 L CA 1.251 56.187 54.840 0.161 0.000 0.747 145 L CB -0.935 41.224 42.059 0.166 0.000 0.896 145 L HN 0.045 nan 8.230 nan 0.000 0.432 146 L N -0.841 120.344 121.223 -0.064 0.000 2.376 146 L HA -0.128 4.212 4.340 0.001 0.000 0.219 146 L C 1.708 178.496 176.870 -0.138 0.000 1.133 146 L CA 0.436 55.219 54.840 -0.095 0.000 0.816 146 L CB -0.447 41.562 42.059 -0.084 0.000 0.933 146 L HN 0.269 nan 8.230 nan 0.000 0.449 147 D N -0.315 119.962 120.400 -0.204 0.000 2.201 147 D HA -0.054 4.586 4.640 0.001 0.000 0.209 147 D C 1.748 177.852 176.300 -0.327 0.000 0.961 147 D CA 0.861 54.714 54.000 -0.245 0.000 0.861 147 D CB 0.073 40.708 40.800 -0.274 0.000 0.997 147 D HN 0.244 nan 8.370 nan 0.000 0.486 148 N N 0.231 118.615 118.700 -0.527 0.000 2.325 148 N HA 0.019 4.759 4.740 0.001 0.000 0.182 148 N C 0.095 175.416 175.510 -0.314 0.000 1.088 148 N CA 0.116 52.831 53.050 -0.559 0.000 0.879 148 N CB 1.476 39.247 38.487 -1.193 0.000 0.983 148 N HN 0.116 nan 8.380 nan 0.000 0.471 149 I N 2.567 123.007 120.570 -0.216 0.000 2.297 149 I HA 0.129 4.299 4.170 0.001 0.000 0.291 149 I C 0.379 176.448 176.117 -0.081 0.000 1.033 149 I CA -0.788 60.453 61.300 -0.098 0.000 1.253 149 I CB 0.072 38.048 38.000 -0.041 0.000 1.396 149 I HN -0.125 nan 8.210 nan 0.000 0.476 150 E N 4.837 125.000 120.200 -0.062 0.000 2.694 150 E HA 0.144 4.494 4.350 0.001 0.000 0.250 150 E C 1.201 177.777 176.600 -0.040 0.000 0.963 150 E CA 0.779 57.149 56.400 -0.050 0.000 0.949 150 E CB 0.238 29.918 29.700 -0.033 0.000 0.911 150 E HN 0.920 nan 8.360 nan 0.000 0.500 151 G N 2.688 111.462 108.800 -0.043 0.000 2.184 151 G HA2 -0.428 3.532 3.960 0.001 0.000 0.264 151 G HA3 -0.428 3.532 3.960 0.001 0.000 0.264 151 G C 1.051 175.926 174.900 -0.041 0.000 0.975 151 G CA 0.556 45.634 45.100 -0.037 0.000 0.642 151 G HN 0.687 nan 8.290 nan 0.000 0.536 152 A N -0.325 122.465 122.820 -0.050 0.000 1.877 152 A HA 0.024 4.344 4.320 0.001 0.000 0.216 152 A C 2.189 179.736 177.584 -0.061 0.000 1.186 152 A CA 2.497 54.502 52.037 -0.053 0.000 0.620 152 A CB -0.445 18.522 19.000 -0.056 0.000 0.822 152 A HN 0.846 nan 8.150 nan 0.000 0.443 153 Q N -0.155 119.606 119.800 -0.065 0.000 2.096 153 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 153 Q C 1.919 177.885 176.000 -0.057 0.000 0.982 153 Q CA 2.355 58.119 55.803 -0.066 0.000 0.850 153 Q CB -0.337 28.362 28.738 -0.065 0.000 0.901 153 Q HN 0.634 nan 8.270 nan 0.000 0.422 154 E N 0.186 120.357 120.200 -0.049 0.000 2.077 154 E HA -0.167 4.184 4.350 0.001 0.000 0.193 154 E C 1.587 178.162 176.600 -0.042 0.000 0.989 154 E CA 1.620 57.995 56.400 -0.041 0.000 0.800 154 E CB -0.031 29.649 29.700 -0.033 0.000 0.746 154 E HN 0.403 nan 8.360 nan 0.000 0.452 155 K N -0.371 120.002 120.400 -0.044 0.000 2.097 155 K HA -0.020 4.300 4.320 0.001 0.000 0.205 155 K C 2.121 178.683 176.600 -0.063 0.000 1.050 155 K CA 0.970 57.229 56.287 -0.047 0.000 0.938 155 K CB -0.138 32.335 32.500 -0.044 0.000 0.718 155 K HN 0.175 nan 8.250 nan 0.000 0.442 156 A N 1.954 124.730 122.820 -0.073 0.000 1.873 156 A HA -0.188 4.133 4.320 0.001 0.000 0.215 156 A C 1.573 179.112 177.584 -0.076 0.000 1.186 156 A CA 1.792 53.775 52.037 -0.090 0.000 0.616 156 A CB -0.405 18.536 19.000 -0.097 0.000 0.823 156 A HN 0.150 nan 8.150 nan 0.000 0.442 157 D N 0.422 120.785 120.400 -0.062 0.000 2.178 157 D HA -0.101 4.540 4.640 0.001 0.000 0.201 157 D C 0.853 177.128 176.300 -0.042 0.000 0.980 157 D CA 0.924 54.894 54.000 -0.051 0.000 0.842 157 D CB -0.331 40.443 40.800 -0.043 0.000 0.948 157 D HN 0.344 nan 8.370 nan 0.000 0.472 158 N N -0.132 118.543 118.700 -0.041 0.000 2.370 158 N HA 0.094 4.835 4.740 0.001 0.000 0.198 158 N C 1.077 176.566 175.510 -0.034 0.000 1.156 158 N CA 0.650 53.681 53.050 -0.031 0.000 0.839 158 N CB 0.681 39.153 38.487 -0.026 0.000 0.989 158 N HN 0.176 nan 8.380 nan 0.000 0.468 159 G N 1.081 109.853 108.800 -0.048 0.000 2.179 159 G HA2 -0.318 3.643 3.960 0.001 0.000 0.257 159 G HA3 -0.318 3.643 3.960 0.001 0.000 0.257 159 G C 0.687 175.550 174.900 -0.061 0.000 1.010 159 G CA 0.519 45.587 45.100 -0.053 0.000 0.736 159 G HN 0.487 nan 8.290 nan 0.000 0.513 160 E N -0.964 119.196 120.200 -0.068 0.000 2.452 160 E HA 0.276 4.626 4.350 0.001 0.000 0.197 160 E C 1.084 177.608 176.600 -0.127 0.000 1.022 160 E CA 0.051 56.411 56.400 -0.068 0.000 0.890 160 E CB 0.445 30.122 29.700 -0.039 0.000 0.918 160 E HN 0.540 nan 8.360 nan 0.000 0.496 161 L N 1.710 122.830 121.223 -0.172 0.000 2.331 161 L HA 0.479 4.819 4.340 0.001 0.000 0.275 161 L C -0.378 176.241 176.870 -0.419 0.000 1.022 161 L CA -0.705 53.971 54.840 -0.273 0.000 0.812 161 L CB 1.419 43.360 42.059 -0.198 0.000 1.257 161 L HN -0.049 nan 8.230 nan 0.000 0.435 162 L N 2.258 123.018 121.223 -0.771 0.000 2.362 162 L HA 0.510 4.850 4.340 0.001 0.000 0.271 162 L C -0.814 175.455 176.870 -1.001 0.000 1.002 162 L CA -0.573 53.651 54.840 -1.027 0.000 0.818 162 L CB 2.296 43.259 42.059 -1.828 0.000 1.298 162 L HN 0.378 nan 8.230 nan 0.000 0.420 163 F N 1.283 120.846 119.950 -0.644 0.000 2.458 163 F HA 0.867 5.394 4.527 0.001 0.000 0.330 163 F C -0.011 175.696 175.800 -0.156 0.000 1.082 163 F CA -0.759 57.014 58.000 -0.378 0.000 0.995 163 F CB 1.969 40.829 39.000 -0.232 0.000 1.170 163 F HN 0.349 nan 8.300 nan 0.000 0.478 164 G N 2.498 110.757 108.800 -0.901 0.000 2.752 164 G HA2 0.462 4.422 3.960 0.001 0.000 0.298 164 G HA3 0.462 4.422 3.960 0.001 0.000 0.298 164 G C -1.177 173.482 174.900 -0.400 0.000 1.434 164 G CA -0.417 44.329 45.100 -0.591 0.000 1.004 164 G HN 0.892 nan 8.290 nan 0.000 0.560 165 T N 0.420 114.767 114.554 -0.346 0.000 2.754 165 T HA 0.329 4.680 4.350 0.001 0.000 0.286 165 T C 1.738 176.492 174.700 0.091 0.000 0.997 165 T CA -0.735 61.355 62.100 -0.017 0.000 0.982 165 T CB 0.864 69.760 68.868 0.048 0.000 1.027 165 T HN 0.209 nan 8.240 nan 0.000 0.529 166 I N 2.023 122.680 120.570 0.145 0.000 2.248 166 I HA -0.182 3.989 4.170 0.001 0.000 0.248 166 I C 2.472 178.695 176.117 0.178 0.000 1.107 166 I CA 1.629 63.053 61.300 0.207 0.000 1.373 166 I CB -1.454 36.671 38.000 0.209 0.000 1.055 166 I HN 0.833 nan 8.210 nan 0.000 0.418 167 D N -0.083 120.372 120.400 0.091 0.000 2.104 167 D HA -0.205 4.435 4.640 0.001 0.000 0.194 167 D C 2.112 178.426 176.300 0.023 0.000 0.994 167 D CA 1.682 55.697 54.000 0.026 0.000 0.830 167 D CB -0.579 40.195 40.800 -0.044 0.000 0.959 167 D HN 0.232 nan 8.370 nan 0.000 0.452 168 S N -0.565 115.170 115.700 0.060 0.000 2.368 168 S HA -0.143 4.328 4.470 0.001 0.000 0.225 168 S C 1.607 176.370 174.600 0.272 0.000 1.030 168 S CA 1.198 59.485 58.200 0.145 0.000 0.999 168 S CB -0.825 62.460 63.200 0.142 0.000 0.844 168 S HN 0.580 nan 8.310 nan 0.000 0.459 169 W N 1.651 122.942 121.300 -0.016 0.000 2.355 169 W HA -0.147 4.513 4.660 0.001 0.000 0.309 169 W C 1.536 177.918 176.519 -0.227 0.000 1.206 169 W CA 1.037 58.194 57.345 -0.314 0.000 1.284 169 W CB -0.387 28.898 29.460 -0.293 0.000 1.145 169 W HN 0.321 nan 8.180 nan 0.000 0.502 170 L N 0.406 121.536 121.223 -0.155 0.000 2.056 170 L HA -0.238 4.102 4.340 0.001 0.000 0.207 170 L C 2.387 179.105 176.870 -0.253 0.000 1.078 170 L CA 1.044 55.732 54.840 -0.252 0.000 0.749 170 L CB -1.254 40.816 42.059 0.018 0.000 0.901 170 L HN -0.180 nan 8.230 nan 0.000 0.433 171 V N -0.669 119.174 119.914 -0.119 0.000 2.515 171 V HA -0.277 3.843 4.120 0.001 0.000 0.250 171 V C 2.095 178.117 176.094 -0.121 0.000 1.058 171 V CA 1.597 63.838 62.300 -0.099 0.000 1.064 171 V CB -0.626 31.159 31.823 -0.063 0.000 0.675 171 V HN 0.657 nan 8.190 nan 0.000 0.461 172 W N 1.440 122.571 121.300 -0.282 0.000 2.355 172 W HA -0.159 4.501 4.660 0.000 0.000 0.309 172 W C 2.168 178.351 176.519 -0.560 0.000 1.206 172 W CA 1.602 58.763 57.345 -0.306 0.000 1.284 172 W CB -0.256 29.032 29.460 -0.286 0.000 1.145 172 W HN 0.174 nan 8.180 nan 0.000 0.502 173 K N 0.872 120.801 120.400 -0.784 0.000 2.025 173 K HA -0.114 4.206 4.320 0.001 0.000 0.207 173 K C 2.211 178.323 176.600 -0.813 0.000 1.049 173 K CA 1.305 56.873 56.287 -1.198 0.000 0.933 173 K CB -1.171 29.904 32.500 -2.375 0.000 0.714 173 K HN 0.328 nan 8.250 nan 0.000 0.438 174 L N 1.254 122.150 121.223 -0.543 0.000 2.131 174 L HA -0.141 4.199 4.340 0.001 0.000 0.210 174 L C 2.084 178.813 176.870 -0.236 0.000 1.092 174 L CA 1.670 56.393 54.840 -0.195 0.000 0.759 174 L CB -0.621 41.393 42.059 -0.075 0.000 0.903 174 L HN 0.302 nan 8.230 nan 0.000 0.435 175 T N -5.515 108.851 114.554 -0.313 0.000 3.145 175 T HA 0.069 4.419 4.350 0.001 0.000 0.255 175 T C 0.594 175.065 174.700 -0.383 0.000 1.039 175 T CA -0.025 61.903 62.100 -0.288 0.000 0.928 175 T CB -0.031 68.708 68.868 -0.214 0.000 1.029 175 T HN 0.218 nan 8.240 nan 0.000 0.554 176 D N 1.363 121.476 120.400 -0.479 0.000 2.686 176 D HA -0.145 4.495 4.640 0.001 0.000 0.235 176 D C 1.251 177.125 176.300 -0.710 0.000 1.160 176 D CA 1.520 55.236 54.000 -0.473 0.000 0.645 176 D CB -1.617 39.115 40.800 -0.112 0.000 1.039 176 D HN 0.981 nan 8.370 nan 0.000 0.423 177 G N -0.412 107.567 108.800 -1.369 0.000 2.184 177 G HA2 -0.420 3.541 3.960 0.001 0.000 0.264 177 G HA3 -0.420 3.541 3.960 0.001 0.000 0.264 177 G C 0.789 175.203 174.900 -0.810 0.000 0.975 177 G CA 0.819 44.763 45.100 -1.927 0.000 0.642 177 G HN 0.567 nan 8.290 nan 0.000 0.536 178 Q N -0.309 119.218 119.800 -0.455 0.000 2.187 178 Q HA 0.189 4.529 4.340 0.001 0.000 0.199 178 Q C 0.696 176.660 176.000 -0.059 0.000 0.957 178 Q CA 1.421 57.114 55.803 -0.184 0.000 0.857 178 Q CB 0.161 28.820 28.738 -0.131 0.000 0.929 178 Q HN 0.542 nan 8.270 nan 0.000 0.453 179 V N 1.417 121.302 119.914 -0.048 0.000 2.487 179 V HA 0.188 4.308 4.120 0.001 0.000 0.298 179 V C -1.146 175.126 176.094 0.298 0.000 1.028 179 V CA -0.801 61.561 62.300 0.102 0.000 0.860 179 V CB 1.386 33.243 31.823 0.057 0.000 0.991 179 V HN 0.177 nan 8.190 nan 0.000 0.427 180 H N 3.711 122.926 119.070 0.242 0.000 2.786 180 H HA 0.784 5.341 4.556 0.001 0.000 0.284 180 H C -1.087 174.348 175.328 0.177 0.000 1.104 180 H CA -0.261 55.981 56.048 0.324 0.000 1.339 180 H CB 1.320 31.309 29.762 0.378 0.000 1.427 180 H HN 0.493 nan 8.280 nan 0.000 0.497 181 V N 3.783 123.703 119.914 0.010 0.000 3.181 181 V HA 0.768 4.889 4.120 0.001 0.000 0.308 181 V C -1.137 174.852 176.094 -0.175 0.000 1.214 181 V CA -0.172 62.063 62.300 -0.109 0.000 1.053 181 V CB 2.537 34.322 31.823 -0.062 0.000 1.069 181 V HN 0.796 nan 8.190 nan 0.000 0.441 182 T N 1.468 115.896 114.554 -0.211 0.000 2.889 182 T HA 0.416 4.766 4.350 0.001 0.000 0.315 182 T C -1.785 172.730 174.700 -0.309 0.000 1.291 182 T CA -0.321 61.638 62.100 -0.236 0.000 1.028 182 T CB 1.542 70.329 68.868 -0.135 0.000 1.235 182 T HN 1.036 nan 8.240 nan 0.000 0.491 183 D N 2.022 122.240 120.400 -0.303 0.000 2.388 183 D HA 0.177 4.817 4.640 0.001 0.000 0.254 183 D C 0.688 176.825 176.300 -0.273 0.000 1.111 183 D CA -0.479 53.349 54.000 -0.287 0.000 0.993 183 D CB 0.798 41.501 40.800 -0.162 0.000 1.118 183 D HN 0.501 nan 8.370 nan 0.000 0.502 184 Y N 0.449 120.637 120.300 -0.188 0.000 2.114 184 Y HA -0.281 4.270 4.550 0.001 0.000 0.282 184 Y C 3.056 178.826 175.900 -0.216 0.000 1.165 184 Y CA 1.855 59.803 58.100 -0.254 0.000 1.148 184 Y CB -0.965 37.416 38.460 -0.131 0.000 0.972 184 Y HN 0.548 nan 8.280 nan 0.000 0.504 185 S N -0.236 115.497 115.700 0.055 0.000 2.356 185 S HA -0.232 4.238 4.470 0.001 0.000 0.223 185 S C 1.806 176.394 174.600 -0.021 0.000 1.032 185 S CA 1.630 59.845 58.200 0.024 0.000 1.005 185 S CB -0.982 62.255 63.200 0.062 0.000 0.867 185 S HN 0.566 nan 8.310 nan 0.000 0.449 186 N N 2.042 120.712 118.700 -0.049 0.000 2.142 186 N HA 0.110 4.850 4.740 0.001 0.000 0.186 186 N C 2.049 177.536 175.510 -0.039 0.000 1.023 186 N CA 1.155 54.183 53.050 -0.037 0.000 0.852 186 N CB -0.489 37.970 38.487 -0.047 0.000 0.998 186 N HN 0.591 nan 8.380 nan 0.000 0.424 187 A N 0.588 123.307 122.820 -0.170 0.000 1.940 187 A HA -0.187 4.133 4.320 0.001 0.000 0.219 187 A C 2.197 179.684 177.584 -0.161 0.000 1.176 187 A CA 1.943 53.803 52.037 -0.294 0.000 0.631 187 A CB -0.943 17.453 19.000 -1.008 0.000 0.814 187 A HN 0.440 nan 8.150 nan 0.000 0.446 188 S N -0.523 115.110 115.700 -0.112 0.000 2.442 188 S HA -0.135 4.335 4.470 0.001 0.000 0.236 188 S C 1.616 176.214 174.600 -0.003 0.000 1.007 188 S CA 1.033 59.256 58.200 0.038 0.000 0.965 188 S CB -0.323 62.900 63.200 0.037 0.000 0.773 188 S HN 0.515 nan 8.310 nan 0.000 0.504 189 R N 1.486 121.996 120.500 0.017 0.000 2.310 189 R HA 0.132 4.472 4.340 0.001 0.000 0.202 189 R C 2.125 178.507 176.300 0.137 0.000 0.933 189 R CA 1.109 57.234 56.100 0.042 0.000 1.054 189 R CB -1.487 28.853 30.300 0.067 0.000 0.985 189 R HN 0.820 nan 8.270 nan 0.000 0.489 190 T N -2.717 111.944 114.554 0.179 0.000 3.043 190 T HA 0.025 4.376 4.350 0.001 0.000 0.263 190 T C 1.340 176.140 174.700 0.167 0.000 1.094 190 T CA 0.564 62.825 62.100 0.269 0.000 1.127 190 T CB -0.025 69.120 68.868 0.462 0.000 0.905 190 T HN 0.229 nan 8.240 nan 0.000 0.490 191 M N -0.536 119.094 119.600 0.050 0.000 2.899 191 M HA -0.163 4.317 4.480 0.001 0.000 0.195 191 M C -0.228 176.116 176.300 0.073 0.000 0.603 191 M CA 0.730 56.010 55.300 -0.033 0.000 0.712 191 M CB -1.437 31.145 32.600 -0.030 0.000 2.569 191 M HN 0.412 nan 8.290 nan 0.000 0.406 192 L N -1.038 120.307 121.223 0.204 0.000 2.817 192 L HA 0.272 4.612 4.340 0.001 0.000 0.248 192 L C 0.174 177.324 176.870 0.468 0.000 1.133 192 L CA -0.249 54.759 54.840 0.280 0.000 0.935 192 L CB 0.465 42.687 42.059 0.272 0.000 1.266 192 L HN 0.360 nan 8.230 nan 0.000 0.535 193 Y N 1.507 121.924 120.300 0.195 0.000 2.341 193 Y HA 0.348 4.899 4.550 0.001 0.000 0.337 193 Y C 0.186 176.059 175.900 -0.045 0.000 1.014 193 Y CA -1.189 56.918 58.100 0.012 0.000 1.111 193 Y CB 1.011 39.344 38.460 -0.211 0.000 1.194 193 Y HN -0.093 nan 8.280 nan 0.000 0.462 194 N N 6.814 125.196 118.700 -0.529 0.000 2.401 194 N HA 0.041 4.781 4.740 0.001 0.000 0.255 194 N C 0.890 176.062 175.510 -0.562 0.000 1.110 194 N CA 0.028 52.847 53.050 -0.384 0.000 0.949 194 N CB 0.431 38.759 38.487 -0.265 0.000 1.110 194 N HN 0.915 nan 8.380 nan 0.000 0.490 195 I N 0.999 121.363 120.570 -0.343 0.000 3.176 195 I HA -0.036 4.135 4.170 0.001 0.000 0.275 195 I C 0.300 176.205 176.117 -0.354 0.000 1.298 195 I CA 0.687 61.821 61.300 -0.276 0.000 1.445 195 I CB -0.199 37.690 38.000 -0.185 0.000 1.075 195 I HN 0.407 nan 8.210 nan 0.000 0.482 196 H N 1.202 120.210 119.070 -0.103 0.000 2.422 196 H HA 0.220 4.776 4.556 0.001 0.000 0.303 196 H C 1.690 176.954 175.328 -0.108 0.000 1.033 196 H CA 0.525 56.518 56.048 -0.092 0.000 1.335 196 H CB 0.169 29.857 29.762 -0.124 0.000 1.458 196 H HN 0.156 nan 8.280 nan 0.000 0.556 197 K N 0.658 121.030 120.400 -0.047 0.000 2.418 197 K HA 0.050 4.370 4.320 0.001 0.000 0.195 197 K C -0.440 176.066 176.600 -0.156 0.000 1.035 197 K CA 0.053 56.289 56.287 -0.085 0.000 1.003 197 K CB 0.569 33.019 32.500 -0.083 0.000 0.793 197 K HN 0.010 nan 8.250 nan 0.000 0.494 198 L N 1.644 122.691 121.223 -0.293 0.000 3.632 198 L HA -0.238 4.103 4.340 0.001 0.000 0.510 198 L C -0.656 176.015 176.870 -0.331 0.000 1.299 198 L CA 1.439 56.094 54.840 -0.308 0.000 0.829 198 L CB -2.068 39.952 42.059 -0.065 0.000 1.559 198 L HN 0.470 nan 8.230 nan 0.000 0.857 199 E N -1.922 117.829 120.200 -0.747 0.000 2.390 199 E HA 0.455 4.805 4.350 0.001 0.000 0.280 199 E C -0.835 175.494 176.600 -0.451 0.000 0.992 199 E CA -1.204 54.967 56.400 -0.381 0.000 0.790 199 E CB 0.617 30.238 29.700 -0.132 0.000 1.248 199 E HN 0.107 nan 8.360 nan 0.000 0.447 200 W N 1.824 123.162 121.300 0.065 0.000 2.193 200 W HA 0.093 4.754 4.660 0.000 0.000 0.338 200 W C 0.537 177.051 176.519 -0.009 0.000 1.310 200 W CA 0.124 57.541 57.345 0.120 0.000 1.243 200 W CB 0.523 30.072 29.460 0.149 0.000 1.165 200 W HN 0.410 nan 8.180 nan 0.000 0.566 201 D N 2.987 123.529 120.400 0.236 0.000 2.380 201 D HA -0.038 4.603 4.640 0.001 0.000 0.230 201 D C 0.959 177.315 176.300 0.094 0.000 1.154 201 D CA -0.124 53.935 54.000 0.098 0.000 0.859 201 D CB 1.318 42.145 40.800 0.045 0.000 1.045 201 D HN 0.420 nan 8.370 nan 0.000 0.495 202 Q N 3.293 123.135 119.800 0.070 0.000 2.135 202 Q HA -0.222 4.118 4.340 0.001 0.000 0.204 202 Q C 1.712 177.716 176.000 0.007 0.000 0.981 202 Q CA 1.744 57.572 55.803 0.041 0.000 0.856 202 Q CB -0.007 28.751 28.738 0.034 0.000 0.902 202 Q HN 0.728 nan 8.270 nan 0.000 0.425 203 E N -0.537 119.662 120.200 -0.002 0.000 2.058 203 E HA -0.201 4.150 4.350 0.001 0.000 0.194 203 E C 1.836 178.401 176.600 -0.058 0.000 0.997 203 E CA 1.543 57.926 56.400 -0.029 0.000 0.801 203 E CB -0.255 29.428 29.700 -0.029 0.000 0.746 203 E HN 0.521 nan 8.360 nan 0.000 0.450 204 I N 0.825 121.369 120.570 -0.043 0.000 2.252 204 I HA -0.268 3.903 4.170 0.001 0.000 0.245 204 I C 2.459 178.542 176.117 -0.056 0.000 1.102 204 I CA 0.747 62.011 61.300 -0.059 0.000 1.385 204 I CB -0.231 37.760 38.000 -0.015 0.000 1.064 204 I HN 0.215 nan 8.210 nan 0.000 0.414 205 L N 0.376 121.581 121.223 -0.031 0.000 2.012 205 L HA -0.257 4.083 4.340 0.001 0.000 0.210 205 L C 2.160 178.991 176.870 -0.064 0.000 1.073 205 L CA 1.416 56.224 54.840 -0.055 0.000 0.748 205 L CB -0.688 41.346 42.059 -0.042 0.000 0.891 205 L HN 0.277 nan 8.230 nan 0.000 0.431 206 D N -0.324 120.044 120.400 -0.052 0.000 2.178 206 D HA -0.134 4.507 4.640 0.001 0.000 0.202 206 D C 2.144 178.407 176.300 -0.061 0.000 0.974 206 D CA 0.830 54.800 54.000 -0.051 0.000 0.841 206 D CB -0.049 40.729 40.800 -0.037 0.000 0.953 206 D HN 0.103 nan 8.370 nan 0.000 0.478 207 L N 0.192 121.363 121.223 -0.087 0.000 2.131 207 L HA -0.049 4.291 4.340 0.001 0.000 0.210 207 L C 1.880 178.704 176.870 -0.078 0.000 1.092 207 L CA 1.288 56.059 54.840 -0.114 0.000 0.759 207 L CB -0.214 41.705 42.059 -0.234 0.000 0.903 207 L HN 0.029 nan 8.230 nan 0.000 0.435 208 L N -1.118 120.061 121.223 -0.074 0.000 2.667 208 L HA 0.164 4.504 4.340 0.001 0.000 0.232 208 L C 0.568 177.398 176.870 -0.066 0.000 1.138 208 L CA -0.150 54.654 54.840 -0.061 0.000 0.921 208 L CB -0.228 41.791 42.059 -0.067 0.000 1.180 208 L HN 0.311 nan 8.230 nan 0.000 0.487 209 N N 1.726 120.388 118.700 -0.064 0.000 2.714 209 N HA -0.238 4.503 4.740 0.001 0.000 0.252 209 N C -0.564 174.896 175.510 -0.083 0.000 1.014 209 N CA 0.544 53.555 53.050 -0.064 0.000 0.735 209 N CB -1.109 37.346 38.487 -0.054 0.000 0.924 209 N HN 0.364 nan 8.380 nan 0.000 0.540 210 I N 0.765 121.275 120.570 -0.101 0.000 2.312 210 I HA 0.309 4.480 4.170 0.001 0.000 0.290 210 I C -1.902 174.138 176.117 -0.128 0.000 1.008 210 I CA -2.041 59.178 61.300 -0.135 0.000 1.226 210 I CB 1.358 39.246 38.000 -0.186 0.000 1.371 210 I HN 0.017 nan 8.210 nan 0.000 0.468 211 P HA 0.111 nan 4.420 nan 0.000 0.267 211 P C 0.438 177.660 177.300 -0.131 0.000 1.205 211 P CA 0.071 63.109 63.100 -0.104 0.000 0.765 211 P CB 0.829 32.474 31.700 -0.091 0.000 0.828 212 S N 1.447 117.081 115.700 -0.111 0.000 2.442 212 S HA -0.142 4.328 4.470 0.001 0.000 0.236 212 S C 1.775 176.300 174.600 -0.125 0.000 1.007 212 S CA 1.574 59.693 58.200 -0.135 0.000 0.965 212 S CB -0.703 62.458 63.200 -0.065 0.000 0.773 212 S HN 0.660 nan 8.310 nan 0.000 0.504 213 S N 1.389 117.036 115.700 -0.087 0.000 2.500 213 S HA 0.026 4.496 4.470 0.001 0.000 0.239 213 S C 1.558 176.105 174.600 -0.087 0.000 0.989 213 S CA 0.706 58.867 58.200 -0.064 0.000 0.951 213 S CB -0.503 62.665 63.200 -0.053 0.000 0.759 213 S HN 0.474 nan 8.310 nan 0.000 0.523 214 M N 0.687 120.210 119.600 -0.129 0.000 2.447 214 M HA 0.264 4.744 4.480 0.001 0.000 0.264 214 M C -0.012 176.248 176.300 -0.066 0.000 1.095 214 M CA 0.435 55.651 55.300 -0.139 0.000 1.125 214 M CB -0.287 32.227 32.600 -0.143 0.000 1.389 214 M HN 0.261 nan 8.290 nan 0.000 0.459 215 L N 2.468 123.589 121.223 -0.170 0.000 2.349 215 L HA 0.281 4.622 4.340 0.001 0.000 0.275 215 L C -2.008 174.773 176.870 -0.149 0.000 1.115 215 L CA -2.000 52.658 54.840 -0.303 0.000 0.820 215 L CB -0.240 41.236 42.059 -0.972 0.000 1.135 215 L HN -0.111 nan 8.230 nan 0.000 0.445 216 P HA 0.123 nan 4.420 nan 0.000 0.276 216 P C -1.069 176.281 177.300 0.084 0.000 1.252 216 P CA -0.655 62.129 63.100 -0.527 0.000 0.802 216 P CB 0.774 31.943 31.700 -0.885 0.000 1.035 217 E N 0.154 120.390 120.200 0.060 0.000 2.373 217 E HA 0.347 4.698 4.350 0.001 0.000 0.263 217 E C -0.896 175.733 176.600 0.049 0.000 1.073 217 E CA -0.923 55.568 56.400 0.152 0.000 0.894 217 E CB 0.604 30.366 29.700 0.104 0.000 1.008 217 E HN 0.076 nan 8.360 nan 0.000 0.420 218 V N 2.681 122.581 119.914 -0.023 0.000 2.435 218 V HA 0.363 4.484 4.120 0.001 0.000 0.290 218 V C -0.033 175.886 176.094 -0.292 0.000 1.030 218 V CA -0.805 61.349 62.300 -0.243 0.000 0.881 218 V CB 1.197 32.743 31.823 -0.461 0.000 0.983 218 V HN 0.639 nan 8.190 nan 0.000 0.445 219 K N 1.686 121.852 120.400 -0.390 0.000 2.378 219 K HA 0.611 4.931 4.320 0.001 0.000 0.244 219 K C 0.185 176.368 176.600 -0.695 0.000 1.039 219 K CA -0.646 55.416 56.287 -0.375 0.000 0.863 219 K CB 1.804 34.316 32.500 0.020 0.000 1.326 219 K HN 0.758 nan 8.250 nan 0.000 0.460 220 S N -0.279 115.159 115.700 -0.437 0.000 2.617 220 S HA 0.075 4.546 4.470 0.001 0.000 0.255 220 S C 0.570 175.179 174.600 0.015 0.000 1.318 220 S CA 0.072 58.146 58.200 -0.211 0.000 0.978 220 S CB 0.106 63.348 63.200 0.069 0.000 0.961 220 S HN 0.488 nan 8.310 nan 0.000 0.582 221 N N -0.079 118.691 118.700 0.117 0.000 2.336 221 N HA 0.188 4.928 4.740 0.001 0.000 0.189 221 N C -0.457 175.094 175.510 0.068 0.000 1.113 221 N CA 0.170 53.289 53.050 0.115 0.000 0.858 221 N CB 0.599 39.134 38.487 0.081 0.000 0.970 221 N HN 0.465 nan 8.380 nan 0.000 0.471 222 S N 0.589 116.296 115.700 0.011 0.000 2.381 222 S HA 0.225 4.695 4.470 0.001 0.000 0.193 222 S C -1.662 172.840 174.600 -0.163 0.000 1.287 222 S CA -0.690 57.468 58.200 -0.071 0.000 1.199 222 S CB -0.272 62.904 63.200 -0.040 0.000 1.214 222 S HN 0.346 nan 8.310 nan 0.000 0.444 223 E N 0.757 120.718 120.200 -0.398 0.000 2.396 223 E HA 0.349 4.699 4.350 0.001 0.000 0.280 223 E C -1.611 174.534 176.600 -0.758 0.000 1.065 223 E CA -1.131 55.001 56.400 -0.447 0.000 0.831 223 E CB 0.704 30.194 29.700 -0.349 0.000 1.272 223 E HN 0.136 nan 8.360 nan 0.000 0.443 224 V N 3.275 122.903 119.914 -0.477 0.000 2.421 224 V HA -0.005 4.115 4.120 0.001 0.000 0.271 224 V C -0.028 175.803 176.094 -0.439 0.000 1.031 224 V CA 0.227 62.256 62.300 -0.452 0.000 1.032 224 V CB -0.759 30.890 31.823 -0.290 0.000 1.009 224 V HN 0.629 nan 8.190 nan 0.000 0.477 225 Y N 3.695 123.910 120.300 -0.142 0.000 2.475 225 Y HA 0.403 4.954 4.550 0.001 0.000 0.289 225 Y C 1.512 177.351 175.900 -0.102 0.000 1.121 225 Y CA 0.748 58.784 58.100 -0.106 0.000 1.257 225 Y CB 0.001 38.402 38.460 -0.097 0.000 1.026 225 Y HN 0.766 nan 8.280 nan 0.000 0.555 226 G N -1.885 106.876 108.800 -0.065 0.000 2.333 226 G HA2 0.295 4.255 3.960 0.001 0.000 0.288 226 G HA3 0.295 4.255 3.960 0.001 0.000 0.288 226 G C -2.104 172.619 174.900 -0.296 0.000 1.286 226 G CA -1.076 43.981 45.100 -0.071 0.000 0.865 226 G HN 0.085 nan 8.290 nan 0.000 0.506 227 H N -0.419 118.615 119.070 -0.061 0.000 2.690 227 H HA 0.679 5.235 4.556 0.001 0.000 0.368 227 H C 0.615 175.870 175.328 -0.122 0.000 1.150 227 H CA 0.142 56.136 56.048 -0.090 0.000 1.174 227 H CB 1.724 31.440 29.762 -0.076 0.000 1.684 227 H HN 0.741 nan 8.280 nan 0.000 0.538 228 T N 0.318 114.841 114.554 -0.051 0.000 2.900 228 T HA 0.230 4.580 4.350 0.001 0.000 0.307 228 T C 0.499 175.135 174.700 -0.106 0.000 1.065 228 T CA -0.947 61.092 62.100 -0.102 0.000 1.105 228 T CB 0.603 69.397 68.868 -0.124 0.000 0.979 228 T HN 0.279 nan 8.240 nan 0.000 0.544 229 R N 2.013 122.372 120.500 -0.234 0.000 2.441 229 R HA 0.310 4.650 4.340 0.001 0.000 0.284 229 R C 1.742 177.816 176.300 -0.377 0.000 1.070 229 R CA -0.273 55.565 56.100 -0.438 0.000 1.047 229 R CB 0.767 30.511 30.300 -0.926 0.000 1.016 229 R HN 0.886 nan 8.270 nan 0.000 0.477 230 S N 2.150 117.692 115.700 -0.265 0.000 2.368 230 S HA -0.241 4.230 4.470 0.001 0.000 0.226 230 S C 1.609 176.160 174.600 -0.081 0.000 1.044 230 S CA 2.173 60.322 58.200 -0.084 0.000 1.062 230 S CB -0.462 62.738 63.200 -0.000 0.000 0.931 230 S HN 0.766 nan 8.310 nan 0.000 0.440 231 Y N 0.309 120.607 120.300 -0.004 0.000 2.680 231 Y HA 0.264 4.815 4.550 0.001 0.000 0.303 231 Y C 1.797 177.666 175.900 -0.051 0.000 1.166 231 Y CA 0.196 58.267 58.100 -0.048 0.000 1.344 231 Y CB -0.236 38.197 38.460 -0.046 0.000 1.002 231 Y HN -0.023 nan 8.280 nan 0.000 0.537 232 R N -0.561 119.849 120.500 -0.150 0.000 2.365 232 R HA 0.204 4.544 4.340 0.001 0.000 0.223 232 R C -0.349 176.081 176.300 0.216 0.000 0.899 232 R CA 0.021 56.152 56.100 0.052 0.000 1.059 232 R CB -0.102 30.188 30.300 -0.016 0.000 1.086 232 R HN 0.497 nan 8.270 nan 0.000 0.522 233 F N 0.086 120.028 119.950 -0.013 0.000 2.790 233 F HA 0.165 4.693 4.527 0.001 0.000 0.371 233 F C -0.696 175.277 175.800 0.289 0.000 1.293 233 F CA -0.684 57.436 58.000 0.200 0.000 1.205 233 F CB 0.331 39.427 39.000 0.160 0.000 1.047 233 F HN -0.031 nan 8.300 nan 0.000 0.510 234 Y N -0.282 119.969 120.300 -0.081 0.000 3.234 234 Y HA -0.195 4.356 4.550 0.001 0.000 0.207 234 Y C 1.295 177.111 175.900 -0.139 0.000 1.316 234 Y CA 0.764 58.772 58.100 -0.153 0.000 1.309 234 Y CB -1.609 36.678 38.460 -0.287 0.000 1.408 234 Y HN 0.538 nan 8.280 nan 0.000 0.544 235 G N -1.904 106.901 108.800 0.007 0.000 2.213 235 G HA2 -0.173 3.787 3.960 0.001 0.000 0.226 235 G HA3 -0.173 3.787 3.960 0.001 0.000 0.226 235 G C 0.134 175.054 174.900 0.034 0.000 0.992 235 G CA 0.038 45.145 45.100 0.011 0.000 0.632 235 G HN 0.683 nan 8.290 nan 0.000 0.511 236 S N 0.395 116.152 115.700 0.095 0.000 2.536 236 S HA 0.594 5.064 4.470 0.001 0.000 0.298 236 S C -0.619 174.079 174.600 0.163 0.000 1.083 236 S CA -0.734 57.541 58.200 0.126 0.000 0.995 236 S CB 1.987 65.274 63.200 0.145 0.000 1.058 236 S HN 0.363 nan 8.310 nan 0.000 0.488 237 E N 1.666 121.917 120.200 0.085 0.000 2.089 237 E HA 0.422 4.772 4.350 0.001 0.000 0.284 237 E C -1.076 175.579 176.600 0.092 0.000 1.023 237 E CA -0.368 56.065 56.400 0.056 0.000 0.819 237 E CB 1.046 30.743 29.700 -0.006 0.000 1.076 237 E HN 0.188 nan 8.360 nan 0.000 0.396 238 V N 4.663 124.608 119.914 0.052 0.000 2.680 238 V HA 0.324 4.445 4.120 0.001 0.000 0.309 238 V C -2.339 173.713 176.094 -0.069 0.000 1.052 238 V CA -2.516 59.783 62.300 -0.000 0.000 0.908 238 V CB 1.966 33.712 31.823 -0.128 0.000 1.001 238 V HN 0.530 nan 8.190 nan 0.000 0.431 239 P HA 0.302 nan 4.420 nan 0.000 0.271 239 P C -0.680 176.457 177.300 -0.273 0.000 1.216 239 P CA 0.065 62.959 63.100 -0.343 0.000 0.771 239 P CB 0.403 31.943 31.700 -0.266 0.000 0.864 240 I N 2.595 123.005 120.570 -0.267 0.000 2.307 240 I HA 0.374 4.545 4.170 0.001 0.000 0.289 240 I C 0.876 176.967 176.117 -0.044 0.000 1.021 240 I CA -0.043 61.195 61.300 -0.103 0.000 1.224 240 I CB 0.997 38.976 38.000 -0.035 0.000 1.376 240 I HN 0.381 nan 8.210 nan 0.000 0.470 241 A N 4.886 127.678 122.820 -0.046 0.000 2.628 241 A HA 0.609 4.930 4.320 0.001 0.000 0.267 241 A C 0.592 178.144 177.584 -0.052 0.000 1.159 241 A CA -0.122 51.813 52.037 -0.169 0.000 0.972 241 A CB 0.510 19.401 19.000 -0.181 0.000 1.211 241 A HN 0.697 nan 8.150 nan 0.000 0.576 242 G N -0.148 108.755 108.800 0.171 0.000 2.701 242 G HA2 0.601 4.562 3.960 0.001 0.000 0.300 242 G HA3 0.601 4.562 3.960 0.001 0.000 0.300 242 G C -1.091 173.934 174.900 0.209 0.000 1.410 242 G CA -0.342 44.858 45.100 0.166 0.000 1.014 242 G HN 0.065 nan 8.290 nan 0.000 0.509 243 M N 0.750 120.441 119.600 0.151 0.000 2.365 243 M HA 0.631 5.111 4.480 0.001 0.000 0.288 243 M C -0.939 175.343 176.300 -0.029 0.000 1.152 243 M CA -0.528 54.764 55.300 -0.013 0.000 0.948 243 M CB 2.591 35.034 32.600 -0.263 0.000 1.729 243 M HN 1.001 nan 8.290 nan 0.000 0.487 244 A N 1.655 124.455 122.820 -0.033 0.000 2.597 244 A HA 0.786 5.106 4.320 0.001 0.000 0.292 244 A C -0.551 177.029 177.584 -0.006 0.000 1.057 244 A CA -0.367 51.662 52.037 -0.013 0.000 0.674 244 A CB 0.995 19.993 19.000 -0.004 0.000 1.278 244 A HN 0.940 nan 8.150 nan 0.000 0.416 245 G N 0.180 108.979 108.800 -0.001 0.000 2.554 245 G HA2 0.359 4.320 3.960 0.001 0.000 0.238 245 G HA3 0.359 4.320 3.960 0.001 0.000 0.238 245 G C 0.520 175.412 174.900 -0.014 0.000 1.259 245 G CA 0.582 45.672 45.100 -0.016 0.000 0.843 245 G HN 0.982 nan 8.290 nan 0.000 0.582 246 D N 0.402 120.782 120.400 -0.033 0.000 2.123 246 D HA -0.187 4.453 4.640 0.001 0.000 0.196 246 D C 1.908 178.198 176.300 -0.018 0.000 0.992 246 D CA 1.286 55.276 54.000 -0.016 0.000 0.833 246 D CB -0.194 40.599 40.800 -0.011 0.000 0.954 246 D HN 0.340 nan 8.370 nan 0.000 0.455 247 Q N -0.024 119.727 119.800 -0.082 0.000 2.119 247 Q HA -0.101 4.239 4.340 0.001 0.000 0.201 247 Q C 2.252 178.283 176.000 0.052 0.000 0.972 247 Q CA 1.263 57.045 55.803 -0.035 0.000 0.847 247 Q CB -0.384 28.282 28.738 -0.121 0.000 0.903 247 Q HN 0.478 nan 8.270 nan 0.000 0.433 248 Q N 0.195 120.034 119.800 0.065 0.000 2.172 248 Q HA 0.043 4.383 4.340 0.001 0.000 0.200 248 Q C 1.981 178.084 176.000 0.171 0.000 0.964 248 Q CA 1.367 57.260 55.803 0.150 0.000 0.855 248 Q CB -0.314 28.520 28.738 0.160 0.000 0.918 248 Q HN 0.408 nan 8.270 nan 0.000 0.444 249 A N 0.643 123.524 122.820 0.102 0.000 1.902 249 A HA -0.111 4.209 4.320 0.001 0.000 0.217 249 A C 2.240 179.898 177.584 0.123 0.000 1.181 249 A CA 1.643 53.737 52.037 0.095 0.000 0.623 249 A CB -0.940 18.087 19.000 0.044 0.000 0.818 249 A HN 0.381 nan 8.150 nan 0.000 0.443 250 A N -0.477 122.397 122.820 0.090 0.000 1.902 250 A HA -0.031 4.290 4.320 0.001 0.000 0.217 250 A C 2.142 179.768 177.584 0.070 0.000 1.181 250 A CA 1.678 53.758 52.037 0.072 0.000 0.623 250 A CB -0.636 18.405 19.000 0.069 0.000 0.818 250 A HN 0.689 nan 8.150 nan 0.000 0.443 251 L N -1.712 119.573 121.223 0.104 0.000 2.012 251 L HA -0.125 4.216 4.340 0.001 0.000 0.210 251 L C 2.224 179.115 176.870 0.034 0.000 1.073 251 L CA 2.276 57.170 54.840 0.089 0.000 0.748 251 L CB -0.620 41.545 42.059 0.177 0.000 0.891 251 L HN 0.407 nan 8.230 nan 0.000 0.431 252 F N 0.222 120.150 119.950 -0.036 0.000 2.102 252 F HA -0.058 4.470 4.527 0.001 0.000 0.298 252 F C 2.244 177.995 175.800 -0.081 0.000 1.105 252 F CA 1.720 59.669 58.000 -0.085 0.000 1.239 252 F CB -0.819 38.138 39.000 -0.073 0.000 0.991 252 F HN 0.152 nan 8.300 nan 0.000 0.474 253 G N -0.911 107.981 108.800 0.153 0.000 2.448 253 G HA2 -0.210 3.751 3.960 0.001 0.000 0.219 253 G HA3 -0.210 3.751 3.960 0.001 0.000 0.219 253 G C 1.373 176.232 174.900 -0.069 0.000 1.127 253 G CA 0.406 45.536 45.100 0.050 0.000 0.766 253 G HN 0.350 nan 8.290 nan 0.000 0.552 254 Q N -0.413 119.300 119.800 -0.145 0.000 2.415 254 Q HA 0.144 4.485 4.340 0.001 0.000 0.206 254 Q C 1.069 176.840 176.000 -0.382 0.000 0.946 254 Q CA 0.016 55.708 55.803 -0.184 0.000 0.951 254 Q CB 0.010 28.678 28.738 -0.117 0.000 1.026 254 Q HN 0.431 nan 8.270 nan 0.000 0.510 255 M N -1.647 117.521 119.600 -0.719 0.000 2.818 255 M HA -0.216 4.264 4.480 0.001 0.000 0.194 255 M C 0.122 175.617 176.300 -1.342 0.000 0.586 255 M CA 0.943 55.387 55.300 -1.427 0.000 0.664 255 M CB -2.738 29.470 32.600 -0.654 0.000 2.418 255 M HN 0.158 nan 8.290 nan 0.000 0.517 256 A N -0.094 122.205 122.820 -0.868 0.000 3.077 256 A HA 0.438 4.758 4.320 0.001 0.000 0.255 256 A C 0.818 178.237 177.584 -0.275 0.000 1.728 256 A CA -0.236 51.556 52.037 -0.409 0.000 1.383 256 A CB -1.029 17.870 19.000 -0.168 0.000 1.097 256 A HN 0.367 nan 8.150 nan 0.000 0.634 257 F N 0.080 119.967 119.950 -0.104 0.000 2.664 257 F HA 0.130 4.658 4.527 0.001 0.000 0.296 257 F C 0.899 176.677 175.800 -0.036 0.000 1.125 257 F CA -0.031 57.916 58.000 -0.089 0.000 1.444 257 F CB 0.050 38.913 39.000 -0.229 0.000 1.114 257 F HN 0.303 nan 8.300 nan 0.000 0.576 258 E N 1.073 121.346 120.200 0.121 0.000 2.214 258 E HA 0.136 4.487 4.350 0.001 0.000 0.274 258 E C -0.194 176.460 176.600 0.090 0.000 0.977 258 E CA -0.799 55.659 56.400 0.098 0.000 0.827 258 E CB 1.433 31.171 29.700 0.062 0.000 1.130 258 E HN 0.047 nan 8.360 nan 0.000 0.394 259 K N 0.327 120.787 120.400 0.100 0.000 2.511 259 K HA 0.044 4.365 4.320 0.001 0.000 0.280 259 K C 0.858 177.496 176.600 0.063 0.000 1.008 259 K CA 1.260 57.602 56.287 0.092 0.000 1.050 259 K CB -0.097 32.456 32.500 0.089 0.000 0.889 259 K HN 0.709 nan 8.250 nan 0.000 0.484 260 G N 3.537 112.373 108.800 0.060 0.000 2.317 260 G HA2 -0.281 3.680 3.960 0.001 0.000 0.227 260 G HA3 -0.281 3.680 3.960 0.001 0.000 0.227 260 G C 0.191 175.111 174.900 0.032 0.000 1.042 260 G CA 0.083 45.208 45.100 0.042 0.000 0.623 260 G HN 0.590 nan 8.290 nan 0.000 0.509 261 M N 1.170 120.786 119.600 0.027 0.000 2.252 261 M HA 0.487 4.967 4.480 0.001 0.000 0.348 261 M C 0.273 176.583 176.300 0.016 0.000 1.334 261 M CA 0.770 56.073 55.300 0.004 0.000 1.071 261 M CB 0.796 33.380 32.600 -0.027 0.000 1.763 261 M HN 0.401 nan 8.290 nan 0.000 0.452 262 I N 4.034 124.609 120.570 0.010 0.000 2.769 262 I HA 0.620 4.791 4.170 0.001 0.000 0.298 262 I C -1.249 174.878 176.117 0.016 0.000 1.128 262 I CA -0.739 60.574 61.300 0.022 0.000 1.031 262 I CB 1.908 39.922 38.000 0.024 0.000 1.235 262 I HN 0.704 nan 8.210 nan 0.000 0.423 263 K N 4.338 124.753 120.400 0.026 0.000 2.495 263 K HA 0.600 4.920 4.320 0.001 0.000 0.268 263 K C -1.617 174.997 176.600 0.023 0.000 1.008 263 K CA -0.772 55.532 56.287 0.029 0.000 0.882 263 K CB 1.271 33.787 32.500 0.027 0.000 1.443 263 K HN 0.407 nan 8.250 nan 0.000 0.447 264 N N -0.370 118.340 118.700 0.015 0.000 2.310 264 N HA 0.441 5.182 4.740 0.001 0.000 0.292 264 N C -1.707 173.753 175.510 -0.083 0.000 1.049 264 N CA -0.383 52.611 53.050 -0.094 0.000 0.849 264 N CB 2.342 40.707 38.487 -0.204 0.000 1.532 264 N HN 0.681 nan 8.380 nan 0.000 0.479 265 T N 3.410 117.903 114.554 -0.100 0.000 2.770 265 T HA 0.341 4.691 4.350 0.001 0.000 0.283 265 T C -0.838 173.813 174.700 -0.082 0.000 0.988 265 T CA -0.147 61.968 62.100 0.025 0.000 0.957 265 T CB 0.036 68.975 68.868 0.120 0.000 0.930 265 T HN 0.249 nan 8.240 nan 0.000 0.443 266 Y N 2.362 122.705 120.300 0.072 0.000 2.454 266 Y HA 0.593 5.144 4.550 0.001 0.000 0.345 266 Y C 0.965 176.923 175.900 0.096 0.000 0.970 266 Y CA -0.299 57.834 58.100 0.054 0.000 1.204 266 Y CB 0.895 39.359 38.460 0.006 0.000 1.122 266 Y HN 0.877 nan 8.280 nan 0.000 0.514 267 G N 0.422 109.359 108.800 0.228 0.000 3.137 267 G HA2 0.116 4.077 3.960 0.001 0.000 0.196 267 G HA3 0.116 4.077 3.960 0.001 0.000 0.196 267 G C 0.682 175.739 174.900 0.261 0.000 1.135 267 G CA -0.303 44.941 45.100 0.241 0.000 0.803 267 G HN 0.291 nan 8.290 nan 0.000 0.619 268 T N 0.302 115.053 114.554 0.328 0.000 2.737 268 T HA 0.114 4.465 4.350 0.001 0.000 0.269 268 T C 1.141 176.088 174.700 0.411 0.000 1.040 268 T CA 1.867 64.191 62.100 0.374 0.000 1.142 268 T CB -0.448 68.713 68.868 0.488 0.000 0.861 268 T HN 0.804 nan 8.240 nan 0.000 0.456 269 G N -0.703 108.386 108.800 0.482 0.000 3.042 269 G HA2 0.699 4.659 3.960 0.001 0.000 0.278 269 G HA3 0.699 4.659 3.960 0.001 0.000 0.278 269 G C -1.753 173.082 174.900 -0.108 0.000 1.371 269 G CA -0.336 44.920 45.100 0.260 0.000 1.009 269 G HN 0.404 nan 8.290 nan 0.000 0.523 270 A N -0.662 121.748 122.820 -0.684 0.000 2.393 270 A HA 0.818 5.138 4.320 0.001 0.000 0.306 270 A C -1.754 175.161 177.584 -1.115 0.000 1.050 270 A CA -0.565 51.075 52.037 -0.662 0.000 0.724 270 A CB 0.939 19.625 19.000 -0.523 0.000 1.248 270 A HN 0.574 nan 8.150 nan 0.000 0.424 271 F N 2.166 122.014 119.950 -0.169 0.000 2.553 271 F HA 0.478 5.005 4.527 0.001 0.000 0.335 271 F C -0.481 175.264 175.800 -0.092 0.000 1.148 271 F CA -0.517 57.429 58.000 -0.090 0.000 0.963 271 F CB 1.690 40.667 39.000 -0.037 0.000 1.217 271 F HN 0.291 nan 8.300 nan 0.000 0.441 272 I N 4.401 124.986 120.570 0.024 0.000 2.337 272 I HA 0.372 4.543 4.170 0.001 0.000 0.291 272 I C -0.351 175.820 176.117 0.090 0.000 1.046 272 I CA -0.480 60.829 61.300 0.016 0.000 1.324 272 I CB 0.935 38.920 38.000 -0.025 0.000 1.409 272 I HN 0.231 nan 8.210 nan 0.000 0.494 273 V N 7.340 127.308 119.914 0.090 0.000 2.531 273 V HA 0.488 4.609 4.120 0.001 0.000 0.301 273 V C -0.187 175.961 176.094 0.089 0.000 1.034 273 V CA -0.691 61.675 62.300 0.111 0.000 0.865 273 V CB 1.756 33.657 31.823 0.128 0.000 0.995 273 V HN 0.705 nan 8.190 nan 0.000 0.424 274 M N 4.491 124.147 119.600 0.092 0.000 2.243 274 M HA 0.489 4.970 4.480 0.001 0.000 0.324 274 M C -0.213 176.147 176.300 0.101 0.000 1.031 274 M CA -0.428 54.921 55.300 0.081 0.000 0.949 274 M CB 1.128 33.769 32.600 0.067 0.000 1.615 274 M HN 0.808 nan 8.290 nan 0.000 0.430 275 N N 2.027 120.790 118.700 0.104 0.000 2.475 275 N HA 0.094 4.835 4.740 0.001 0.000 0.267 275 N C 0.387 175.968 175.510 0.119 0.000 1.169 275 N CA 0.112 53.240 53.050 0.129 0.000 0.947 275 N CB 0.798 39.372 38.487 0.145 0.000 1.061 275 N HN 0.724 nan 8.380 nan 0.000 0.466 276 T N 0.711 115.346 114.554 0.135 0.000 3.132 276 T HA 0.409 4.759 4.350 0.001 0.000 0.274 276 T C 0.914 175.702 174.700 0.146 0.000 1.011 276 T CA -0.011 62.164 62.100 0.124 0.000 0.899 276 T CB -0.081 68.853 68.868 0.109 0.000 1.089 276 T HN 0.751 nan 8.240 nan 0.000 0.543 277 G N 2.187 111.102 108.800 0.192 0.000 2.642 277 G HA2 -0.227 3.733 3.960 0.001 0.000 0.231 277 G HA3 -0.227 3.733 3.960 0.001 0.000 0.231 277 G C 0.274 175.292 174.900 0.197 0.000 1.338 277 G CA 0.050 45.290 45.100 0.233 0.000 0.883 277 G HN 0.356 nan 8.290 nan 0.000 0.570 278 E N 0.630 120.889 120.200 0.098 0.000 2.299 278 E HA 0.107 4.458 4.350 0.001 0.000 0.193 278 E C 0.891 177.567 176.600 0.126 0.000 0.998 278 E CA 1.063 57.477 56.400 0.023 0.000 0.851 278 E CB 0.249 29.870 29.700 -0.132 0.000 0.795 278 E HN 0.558 nan 8.360 nan 0.000 0.492 279 E N 1.397 121.634 120.200 0.060 0.000 3.786 279 E HA 0.131 4.481 4.350 0.001 0.000 0.215 279 E C -2.330 174.241 176.600 -0.048 0.000 1.188 279 E CA -0.904 55.485 56.400 -0.017 0.000 1.248 279 E CB 1.029 30.719 29.700 -0.015 0.000 1.260 279 E HN 0.062 nan 8.360 nan 0.000 0.426 280 P HA 0.173 nan 4.420 nan 0.000 0.199 280 P C 0.019 177.235 177.300 -0.140 0.000 1.855 280 P CA -0.392 62.665 63.100 -0.072 0.000 1.268 280 P CB 1.378 33.082 31.700 0.008 0.000 1.630 281 Q N 1.470 121.195 119.800 -0.125 0.000 2.378 281 Q HA 0.054 4.394 4.340 0.001 0.000 0.205 281 Q C 0.885 176.858 176.000 -0.044 0.000 0.954 281 Q CA 0.201 55.948 55.803 -0.093 0.000 0.901 281 Q CB -0.350 28.307 28.738 -0.136 0.000 0.981 281 Q HN 0.556 nan 8.270 nan 0.000 0.483 285 N N -0.045 118.734 118.700 0.132 0.000 2.347 285 N HA 0.220 4.960 4.740 0.001 0.000 0.253 285 N C -0.033 175.564 175.510 0.145 0.000 1.274 285 N CA -0.127 52.998 53.050 0.125 0.000 0.941 285 N CB 0.355 38.896 38.487 0.091 0.000 1.200 285 N HN 0.241 nan 8.380 nan 0.000 0.514 286 D N -0.127 120.379 120.400 0.177 0.000 2.349 286 D HA 0.090 4.731 4.640 0.001 0.000 0.224 286 D C 0.099 176.624 176.300 0.374 0.000 1.029 286 D CA 0.382 54.538 54.000 0.261 0.000 0.879 286 D CB -0.029 40.971 40.800 0.332 0.000 0.906 286 D HN 0.297 nan 8.370 nan 0.000 0.528 287 L N 0.255 121.622 121.223 0.240 0.000 2.431 287 L HA 0.345 4.686 4.340 0.001 0.000 0.260 287 L C 0.375 177.362 176.870 0.195 0.000 1.098 287 L CA -0.847 54.154 54.840 0.268 0.000 0.800 287 L CB 1.104 43.263 42.059 0.165 0.000 1.210 287 L HN -0.276 nan 8.230 nan 0.000 0.465 288 L N 0.582 121.948 121.223 0.239 0.000 2.292 288 L HA 0.342 4.683 4.340 0.001 0.000 0.284 288 L C -0.195 176.727 176.870 0.086 0.000 1.065 288 L CA -0.337 54.583 54.840 0.133 0.000 0.806 288 L CB 1.242 43.447 42.059 0.244 0.000 1.175 288 L HN 0.533 nan 8.230 nan 0.000 0.431 289 T N 1.501 116.063 114.554 0.013 0.000 2.733 289 T HA 0.405 4.755 4.350 0.001 0.000 0.294 289 T C 0.034 174.749 174.700 0.025 0.000 0.956 289 T CA -0.170 61.946 62.100 0.026 0.000 0.987 289 T CB 1.310 70.173 68.868 -0.008 0.000 0.920 289 T HN 0.665 nan 8.240 nan 0.000 0.470 290 T N 2.518 117.127 114.554 0.092 0.000 2.838 290 T HA 0.650 5.000 4.350 0.001 0.000 0.292 290 T C -0.875 173.910 174.700 0.141 0.000 1.113 290 T CA -0.734 61.418 62.100 0.087 0.000 1.008 290 T CB 0.874 69.785 68.868 0.071 0.000 1.259 290 T HN 0.442 nan 8.240 nan 0.000 0.520 291 I N 2.503 123.103 120.570 0.051 0.000 2.371 291 I HA 0.322 4.492 4.170 0.001 0.000 0.290 291 I C 1.598 177.689 176.117 -0.044 0.000 1.028 291 I CA -0.230 61.011 61.300 -0.099 0.000 1.345 291 I CB 1.449 39.362 38.000 -0.145 0.000 1.407 291 I HN 0.912 nan 8.210 nan 0.000 0.501 292 G N 6.549 115.288 108.800 -0.101 0.000 2.425 292 G HA2 -0.034 3.927 3.960 0.001 0.000 0.213 292 G HA3 -0.034 3.927 3.960 0.001 0.000 0.213 292 G C -0.162 174.847 174.900 0.182 0.000 1.201 292 G CA 0.771 45.895 45.100 0.040 0.000 0.799 292 G HN 0.688 nan 8.290 nan 0.000 0.534 293 Y N -3.520 116.848 120.300 0.115 0.000 2.661 293 Y HA 0.565 5.115 4.550 0.001 0.000 0.339 293 Y C -0.469 175.542 175.900 0.185 0.000 1.186 293 Y CA -1.537 56.651 58.100 0.146 0.000 1.137 293 Y CB 0.470 39.037 38.460 0.178 0.000 1.354 293 Y HN 0.293 nan 8.280 nan 0.000 0.469 294 G N 2.362 111.383 108.800 0.369 0.000 2.487 294 G HA2 0.696 4.657 3.960 0.001 0.000 0.314 294 G HA3 0.696 4.657 3.960 0.001 0.000 0.314 294 G C -1.721 173.408 174.900 0.383 0.000 1.267 294 G CA -0.946 44.347 45.100 0.323 0.000 0.937 294 G HN 1.037 nan 8.290 nan 0.000 0.481 295 I N 1.329 122.128 120.570 0.382 0.000 2.908 295 I HA 0.330 4.500 4.170 0.001 0.000 0.300 295 I C -0.593 175.679 176.117 0.259 0.000 1.385 295 I CA -0.856 60.620 61.300 0.295 0.000 1.004 295 I CB 2.044 40.228 38.000 0.306 0.000 1.309 295 I HN 0.540 nan 8.210 nan 0.000 0.449 296 N N 4.260 123.057 118.700 0.163 0.000 2.714 296 N HA -0.197 4.544 4.740 0.001 0.000 0.250 296 N C 0.744 176.318 175.510 0.107 0.000 1.117 296 N CA 1.553 54.678 53.050 0.124 0.000 0.719 296 N CB -1.385 37.183 38.487 0.135 0.000 1.081 296 N HN 1.286 nan 8.380 nan 0.000 0.557 297 G N -1.896 106.965 108.800 0.102 0.000 2.179 297 G HA2 -0.347 3.614 3.960 0.001 0.000 0.260 297 G HA3 -0.347 3.614 3.960 0.001 0.000 0.260 297 G C 0.012 174.923 174.900 0.019 0.000 0.977 297 G CA 0.986 46.125 45.100 0.065 0.000 0.641 297 G HN 0.405 nan 8.290 nan 0.000 0.533 298 K N -0.249 120.162 120.400 0.017 0.000 2.281 298 K HA 0.759 5.080 4.320 0.001 0.000 0.242 298 K C -0.352 176.062 176.600 -0.309 0.000 0.971 298 K CA -0.787 55.395 56.287 -0.175 0.000 0.834 298 K CB 2.591 34.951 32.500 -0.234 0.000 1.181 298 K HN 0.161 nan 8.250 nan 0.000 0.435 299 V N 2.750 122.322 119.914 -0.569 0.000 2.409 299 V HA 0.342 4.463 4.120 0.001 0.000 0.291 299 V C -1.239 174.292 176.094 -0.937 0.000 1.020 299 V CA -0.888 61.017 62.300 -0.660 0.000 0.848 299 V CB 0.804 32.214 31.823 -0.688 0.000 0.990 299 V HN 0.529 nan 8.190 nan 0.000 0.430 300 Y N 4.055 123.996 120.300 -0.598 0.000 2.331 300 Y HA 0.628 5.178 4.550 0.001 0.000 0.338 300 Y C -0.100 175.424 175.900 -0.627 0.000 0.992 300 Y CA -0.630 57.136 58.100 -0.557 0.000 1.121 300 Y CB 1.073 39.095 38.460 -0.729 0.000 1.184 300 Y HN 0.528 nan 8.280 nan 0.000 0.469 301 Y N 1.281 121.528 120.300 -0.089 0.000 2.408 301 Y HA 0.759 5.309 4.550 0.001 0.000 0.324 301 Y C 0.309 176.206 175.900 -0.005 0.000 1.302 301 Y CA -0.810 57.252 58.100 -0.063 0.000 1.384 301 Y CB 1.211 39.633 38.460 -0.063 0.000 1.367 301 Y HN 0.627 nan 8.280 nan 0.000 0.525 302 A N 0.781 123.719 122.820 0.197 0.000 2.594 302 A HA 0.720 5.040 4.320 0.001 0.000 0.291 302 A C -2.346 175.320 177.584 0.136 0.000 1.105 302 A CA -0.662 51.463 52.037 0.147 0.000 0.694 302 A CB 1.548 20.627 19.000 0.132 0.000 1.291 302 A HN 0.562 nan 8.150 nan 0.000 0.410 303 L N 0.572 121.868 121.223 0.121 0.000 2.341 303 L HA 0.753 5.093 4.340 0.001 0.000 0.278 303 L C -0.260 176.689 176.870 0.132 0.000 1.005 303 L CA 0.013 54.922 54.840 0.114 0.000 0.818 303 L CB 1.541 43.655 42.059 0.092 0.000 1.259 303 L HN 0.841 nan 8.230 nan 0.000 0.418 304 E N 2.699 122.998 120.200 0.165 0.000 2.314 304 E HA 0.693 5.043 4.350 0.001 0.000 0.272 304 E C -1.225 175.519 176.600 0.240 0.000 0.884 304 E CA -0.897 55.626 56.400 0.204 0.000 0.753 304 E CB 1.898 31.750 29.700 0.254 0.000 1.213 304 E HN 0.807 nan 8.360 nan 0.000 0.432 305 G N 1.712 110.619 108.800 0.177 0.000 2.487 305 G HA2 0.449 4.409 3.960 0.001 0.000 0.314 305 G HA3 0.449 4.409 3.960 0.001 0.000 0.314 305 G C -0.975 173.968 174.900 0.072 0.000 1.267 305 G CA -0.476 44.687 45.100 0.104 0.000 0.937 305 G HN 0.323 nan 8.290 nan 0.000 0.481 306 S N 1.646 117.369 115.700 0.038 0.000 2.449 306 S HA 0.510 4.980 4.470 0.001 0.000 0.310 306 S C -0.165 174.116 174.600 -0.532 0.000 1.096 306 S CA -0.437 57.731 58.200 -0.052 0.000 1.095 306 S CB 1.320 64.783 63.200 0.438 0.000 1.007 306 S HN 0.503 nan 8.310 nan 0.000 0.474 307 I N 3.884 124.048 120.570 -0.677 0.000 2.354 307 I HA 0.260 4.431 4.170 0.001 0.000 0.286 307 I C 0.203 176.109 176.117 -0.352 0.000 1.007 307 I CA -0.568 60.402 61.300 -0.551 0.000 1.167 307 I CB 0.740 38.488 38.000 -0.421 0.000 1.320 307 I HN 0.539 nan 8.210 nan 0.000 0.458 308 F N 5.166 125.036 119.950 -0.134 0.000 2.134 308 F HA -0.056 4.471 4.527 0.001 0.000 0.299 308 F C 1.148 177.050 175.800 0.171 0.000 1.097 308 F CA 0.735 58.831 58.000 0.159 0.000 1.264 308 F CB -0.375 38.656 39.000 0.052 0.000 1.001 308 F HN 0.103 nan 8.300 nan 0.000 0.479 309 V N -0.496 119.527 119.914 0.181 0.000 2.407 309 V HA 0.729 4.849 4.120 0.001 0.000 0.291 309 V C 0.186 176.284 176.094 0.006 0.000 1.018 309 V CA -0.103 62.244 62.300 0.078 0.000 0.842 309 V CB 0.836 32.605 31.823 -0.091 0.000 0.996 309 V HN 0.218 nan 8.190 nan 0.000 0.426 310 A N 4.158 127.018 122.820 0.066 0.000 1.873 310 A HA 0.609 4.929 4.320 0.001 0.000 0.188 310 A C 1.887 179.532 177.584 0.101 0.000 2.054 310 A CA 0.733 52.801 52.037 0.051 0.000 1.506 310 A CB -0.783 18.242 19.000 0.042 0.000 1.084 310 A HN 0.853 nan 8.150 nan 0.000 0.620 311 G N 0.623 109.509 108.800 0.145 0.000 2.450 311 G HA2 -0.162 3.798 3.960 0.001 0.000 0.220 311 G HA3 -0.162 3.798 3.960 0.001 0.000 0.220 311 G C 1.700 176.703 174.900 0.172 0.000 1.130 311 G CA 2.086 47.277 45.100 0.151 0.000 0.760 311 G HN 1.095 nan 8.290 nan 0.000 0.557 312 S N 0.727 116.546 115.700 0.199 0.000 2.500 312 S HA 0.226 4.696 4.470 0.001 0.000 0.239 312 S C 2.387 177.162 174.600 0.292 0.000 0.989 312 S CA 1.190 59.526 58.200 0.228 0.000 0.951 312 S CB -0.140 63.195 63.200 0.225 0.000 0.759 312 S HN 0.547 nan 8.310 nan 0.000 0.523 313 A N 1.930 124.900 122.820 0.251 0.000 1.968 313 A HA 0.172 4.492 4.320 0.001 0.000 0.217 313 A C 2.102 179.930 177.584 0.407 0.000 1.169 313 A CA 0.920 53.172 52.037 0.358 0.000 0.638 313 A CB -0.439 18.628 19.000 0.112 0.000 0.812 313 A HN 0.503 nan 8.150 nan 0.000 0.446 314 I N -0.085 120.632 120.570 0.245 0.000 2.286 314 I HA -0.202 3.969 4.170 0.001 0.000 0.245 314 I C 2.555 178.776 176.117 0.173 0.000 1.104 314 I CA 1.561 62.969 61.300 0.180 0.000 1.397 314 I CB -1.484 36.582 38.000 0.110 0.000 1.072 314 I HN 0.546 nan 8.210 nan 0.000 0.417 315 Q N -0.100 119.816 119.800 0.192 0.000 2.096 315 Q HA -0.280 4.061 4.340 0.001 0.000 0.204 315 Q C 2.322 178.435 176.000 0.189 0.000 0.982 315 Q CA 2.169 58.070 55.803 0.164 0.000 0.850 315 Q CB -0.313 28.532 28.738 0.179 0.000 0.901 315 Q HN 0.553 nan 8.270 nan 0.000 0.422 316 W N 0.794 122.149 121.300 0.092 0.000 2.388 316 W HA -0.126 4.535 4.660 0.001 0.000 0.294 316 W C 1.432 177.978 176.519 0.045 0.000 1.212 316 W CA 1.170 58.539 57.345 0.041 0.000 1.271 316 W CB -0.267 29.231 29.460 0.063 0.000 1.126 316 W HN 0.133 nan 8.180 nan 0.000 0.535 317 L N 0.341 121.524 121.223 -0.066 0.000 2.131 317 L HA -0.171 4.169 4.340 0.001 0.000 0.210 317 L C 2.804 179.529 176.870 -0.241 0.000 1.092 317 L CA 1.681 56.360 54.840 -0.269 0.000 0.759 317 L CB -0.873 41.181 42.059 -0.008 0.000 0.903 317 L HN 0.012 nan 8.230 nan 0.000 0.435 318 R N 0.080 120.513 120.500 -0.112 0.000 2.055 318 R HA -0.118 4.222 4.340 0.001 0.000 0.226 318 R C 1.654 177.891 176.300 -0.106 0.000 1.135 318 R CA 1.674 57.723 56.100 -0.086 0.000 0.959 318 R CB 0.071 30.357 30.300 -0.023 0.000 0.854 318 R HN 0.301 nan 8.270 nan 0.000 0.431 319 D N -1.113 119.239 120.400 -0.081 0.000 2.277 319 D HA 0.025 4.665 4.640 0.001 0.000 0.209 319 D C 1.569 177.805 176.300 -0.105 0.000 0.970 319 D CA 1.099 55.066 54.000 -0.055 0.000 0.874 319 D CB -0.082 40.736 40.800 0.029 0.000 0.982 319 D HN 0.427 nan 8.370 nan 0.000 0.504 320 G N 1.010 109.667 108.800 -0.239 0.000 2.518 320 G HA2 -0.060 3.900 3.960 0.001 0.000 0.213 320 G HA3 -0.060 3.900 3.960 0.001 0.000 0.213 320 G C 1.580 176.230 174.900 -0.416 0.000 1.226 320 G CA -0.006 44.900 45.100 -0.323 0.000 0.822 320 G HN 0.168 nan 8.290 nan 0.000 0.546 321 L N -0.296 120.498 121.223 -0.714 0.000 2.418 321 L HA 0.200 4.541 4.340 0.001 0.000 0.218 321 L C 0.946 177.616 176.870 -0.333 0.000 1.125 321 L CA 0.061 54.583 54.840 -0.530 0.000 0.835 321 L CB -0.109 41.521 42.059 -0.714 0.000 0.953 321 L HN 0.239 nan 8.230 nan 0.000 0.454 322 R N -0.461 119.866 120.500 -0.288 0.000 3.416 322 R HA -0.247 4.093 4.340 0.001 0.000 0.263 322 R C 1.114 177.310 176.300 -0.174 0.000 1.053 322 R CA 0.772 56.762 56.100 -0.183 0.000 0.705 322 R CB -1.992 28.226 30.300 -0.137 0.000 1.124 322 R HN 0.445 nan 8.270 nan 0.000 0.444 323 M N 0.626 120.103 119.600 -0.205 0.000 2.476 323 M HA 0.125 4.606 4.480 0.001 0.000 0.262 323 M C 0.678 176.915 176.300 -0.105 0.000 1.111 323 M CA 1.069 56.266 55.300 -0.171 0.000 1.127 323 M CB 0.613 33.088 32.600 -0.209 0.000 1.376 323 M HN 0.353 nan 8.290 nan 0.000 0.465 324 I N -2.864 117.652 120.570 -0.090 0.000 2.608 324 I HA 0.405 4.576 4.170 0.001 0.000 0.295 324 I C 0.257 176.343 176.117 -0.050 0.000 1.049 324 I CA -0.962 60.305 61.300 -0.054 0.000 1.063 324 I CB 1.607 39.589 38.000 -0.031 0.000 1.248 324 I HN -0.100 nan 8.210 nan 0.000 0.424 325 E N 1.941 122.118 120.200 -0.038 0.000 2.046 325 E HA -0.031 4.320 4.350 0.001 0.000 0.190 325 E C 0.653 177.239 176.600 -0.024 0.000 0.982 325 E CA 1.288 57.668 56.400 -0.033 0.000 0.800 325 E CB 0.099 29.782 29.700 -0.027 0.000 0.756 325 E HN 0.762 nan 8.360 nan 0.000 0.449 326 T N -1.172 113.372 114.554 -0.017 0.000 2.906 326 T HA 0.227 4.577 4.350 0.001 0.000 0.295 326 T C 0.881 175.580 174.700 -0.001 0.000 1.061 326 T CA -0.045 62.050 62.100 -0.008 0.000 1.000 326 T CB 1.835 70.699 68.868 -0.006 0.000 1.103 326 T HN -0.058 nan 8.240 nan 0.000 0.486 327 S N 2.688 118.393 115.700 0.009 0.000 2.359 327 S HA -0.017 4.453 4.470 0.001 0.000 0.223 327 S C -0.918 173.690 174.600 0.014 0.000 1.039 327 S CA 1.941 60.153 58.200 0.020 0.000 1.042 327 S CB -0.987 62.233 63.200 0.032 0.000 0.915 327 S HN 0.671 nan 8.310 nan 0.000 0.439 328 P HA -0.063 nan 4.420 nan 0.000 0.219 328 P C 1.400 178.697 177.300 -0.004 0.000 1.146 328 P CA 0.818 63.919 63.100 0.003 0.000 0.808 328 P CB -0.129 31.573 31.700 0.003 0.000 0.779 329 Q N 0.092 119.889 119.800 -0.005 0.000 2.443 329 Q HA -0.126 4.214 4.340 0.001 0.000 0.213 329 Q C 1.871 177.865 176.000 -0.010 0.000 0.982 329 Q CA 1.568 57.366 55.803 -0.009 0.000 0.894 329 Q CB -0.551 28.181 28.738 -0.011 0.000 0.947 329 Q HN 0.343 nan 8.270 nan 0.000 0.480 330 S N -0.694 115.002 115.700 -0.007 0.000 2.383 330 S HA -0.176 4.294 4.470 0.001 0.000 0.227 330 S C 1.797 176.381 174.600 -0.026 0.000 1.026 330 S CA 1.188 59.383 58.200 -0.009 0.000 0.981 330 S CB -0.250 62.950 63.200 0.000 0.000 0.818 330 S HN 0.489 nan 8.310 nan 0.000 0.472 331 E N 1.200 121.382 120.200 -0.030 0.000 2.106 331 E HA -0.181 4.170 4.350 0.001 0.000 0.192 331 E C 1.935 178.514 176.600 -0.036 0.000 0.984 331 E CA 1.172 57.547 56.400 -0.042 0.000 0.806 331 E CB -0.073 29.605 29.700 -0.037 0.000 0.750 331 E HN 0.499 nan 8.360 nan 0.000 0.458 332 E N 0.793 120.978 120.200 -0.025 0.000 2.017 332 E HA -0.193 4.157 4.350 0.001 0.000 0.193 332 E C 2.374 178.960 176.600 -0.023 0.000 0.997 332 E CA 1.018 57.405 56.400 -0.021 0.000 0.804 332 E CB -0.402 29.288 29.700 -0.015 0.000 0.757 332 E HN 0.388 nan 8.360 nan 0.000 0.448 333 L N 0.652 121.863 121.223 -0.021 0.000 2.012 333 L HA -0.202 4.138 4.340 0.001 0.000 0.210 333 L C 2.641 179.495 176.870 -0.026 0.000 1.073 333 L CA 1.307 56.136 54.840 -0.017 0.000 0.748 333 L CB -0.636 41.418 42.059 -0.008 0.000 0.891 333 L HN 0.080 nan 8.230 nan 0.000 0.431 334 A N 0.118 122.914 122.820 -0.041 0.000 1.883 334 A HA -0.224 4.096 4.320 0.001 0.000 0.217 334 A C 2.517 180.058 177.584 -0.072 0.000 1.186 334 A CA 1.900 53.895 52.037 -0.071 0.000 0.624 334 A CB -0.841 18.096 19.000 -0.104 0.000 0.822 334 A HN 0.422 nan 8.150 nan 0.000 0.444 335 A N -0.687 122.098 122.820 -0.058 0.000 2.024 335 A HA -0.149 4.171 4.320 0.001 0.000 0.220 335 A C 1.991 179.555 177.584 -0.034 0.000 1.164 335 A CA 1.812 53.822 52.037 -0.046 0.000 0.643 335 A CB -0.345 18.635 19.000 -0.033 0.000 0.806 335 A HN 0.556 nan 8.150 nan 0.000 0.451 336 K N -0.353 120.029 120.400 -0.029 0.000 2.404 336 K HA 0.329 4.649 4.320 0.001 0.000 0.194 336 K C 0.541 177.129 176.600 -0.019 0.000 1.023 336 K CA 0.221 56.496 56.287 -0.020 0.000 1.094 336 K CB 0.114 32.605 32.500 -0.015 0.000 0.841 336 K HN 0.423 nan 8.250 nan 0.000 0.523 337 A N 1.720 124.524 122.820 -0.027 0.000 2.546 337 A HA -0.013 4.308 4.320 0.001 0.000 0.243 337 A C 0.736 178.309 177.584 -0.019 0.000 1.063 337 A CA 0.364 52.387 52.037 -0.024 0.000 0.757 337 A CB 0.309 19.284 19.000 -0.042 0.000 0.991 337 A HN 0.059 nan 8.150 nan 0.000 0.503 338 K N 2.556 122.950 120.400 -0.009 0.000 2.367 338 K HA 0.096 4.416 4.320 0.001 0.000 0.195 338 K C 1.253 177.853 176.600 -0.001 0.000 1.060 338 K CA 0.741 57.026 56.287 -0.004 0.000 1.022 338 K CB -0.015 32.484 32.500 -0.000 0.000 0.894 338 K HN 0.817 nan 8.250 nan 0.000 0.540 339 G N 1.677 110.476 108.800 -0.001 0.000 2.771 339 G HA2 -0.115 3.846 3.960 0.001 0.000 0.242 339 G HA3 -0.115 3.846 3.960 0.001 0.000 0.242 339 G C 0.304 175.204 174.900 0.000 0.000 1.233 339 G CA -0.237 44.864 45.100 0.002 0.000 0.858 339 G HN 0.077 nan 8.290 nan 0.000 0.591 340 D N 0.055 120.459 120.400 0.008 0.000 2.392 340 D HA -0.097 4.543 4.640 0.001 0.000 0.228 340 D C 1.249 177.553 176.300 0.007 0.000 1.003 340 D CA 0.515 54.524 54.000 0.015 0.000 0.917 340 D CB 0.036 40.852 40.800 0.027 0.000 0.890 340 D HN 0.464 nan 8.370 nan 0.000 0.532 341 N N 1.207 119.893 118.700 -0.023 0.000 2.780 341 N HA -0.213 4.527 4.740 0.001 0.000 0.248 341 N C 0.385 175.825 175.510 -0.116 0.000 1.102 341 N CA 0.958 53.969 53.050 -0.064 0.000 0.697 341 N CB -1.065 37.413 38.487 -0.015 0.000 1.028 341 N HN 0.578 nan 8.380 nan 0.000 0.554 342 E N -2.235 117.911 120.200 -0.090 0.000 2.498 342 E HA 0.191 4.542 4.350 0.001 0.000 0.203 342 E C 0.114 176.650 176.600 -0.107 0.000 1.013 342 E CA -0.314 56.051 56.400 -0.058 0.000 0.927 342 E CB 0.446 30.184 29.700 0.064 0.000 1.012 342 E HN 0.104 nan 8.360 nan 0.000 0.482 343 V N 1.983 121.784 119.914 -0.188 0.000 2.465 343 V HA 0.207 4.327 4.120 0.001 0.000 0.279 343 V C -0.984 174.954 176.094 -0.261 0.000 1.045 343 V CA -0.306 61.938 62.300 -0.093 0.000 0.938 343 V CB 0.071 31.869 31.823 -0.042 0.000 0.986 343 V HN 0.166 nan 8.190 nan 0.000 0.467 344 Y N 2.808 123.190 120.300 0.138 0.000 2.409 344 Y HA 0.636 5.186 4.550 0.001 0.000 0.343 344 Y C -0.089 175.890 175.900 0.131 0.000 0.973 344 Y CA -0.819 57.398 58.100 0.196 0.000 1.064 344 Y CB 2.238 40.838 38.460 0.233 0.000 1.207 344 Y HN 0.318 nan 8.280 nan 0.000 0.452 345 V N 4.336 124.408 119.914 0.263 0.000 2.409 345 V HA 0.380 4.500 4.120 0.001 0.000 0.291 345 V C -0.817 175.417 176.094 0.232 0.000 1.020 345 V CA -0.881 61.471 62.300 0.087 0.000 0.848 345 V CB 1.666 33.419 31.823 -0.118 0.000 0.990 345 V HN 0.528 nan 8.190 nan 0.000 0.430 346 V N 7.888 127.861 119.914 0.100 0.000 2.259 346 V HA 0.278 4.398 4.120 0.001 0.000 0.267 346 V C -2.006 173.998 176.094 -0.151 0.000 1.051 346 V CA -1.568 60.755 62.300 0.039 0.000 0.830 346 V CB 1.427 33.173 31.823 -0.129 0.000 1.080 346 V HN 0.772 nan 8.190 nan 0.000 0.467 347 P HA 0.063 nan 4.420 nan 0.000 0.277 347 P C 0.738 177.596 177.300 -0.737 0.000 1.617 347 P CA 0.203 62.808 63.100 -0.824 0.000 0.829 347 P CB -0.070 31.253 31.700 -0.629 0.000 1.774 348 A N -0.658 121.930 122.820 -0.387 0.000 2.604 348 A HA 0.101 4.421 4.320 0.001 0.000 0.248 348 A C 1.278 178.829 177.584 -0.056 0.000 1.466 348 A CA -0.330 51.605 52.037 -0.170 0.000 1.222 348 A CB -1.790 17.149 19.000 -0.101 0.000 0.945 348 A HN 0.262 nan 8.150 nan 0.000 0.600 349 F N 0.084 119.927 119.950 -0.178 0.000 2.236 349 F HA -0.177 4.351 4.527 0.001 0.000 0.302 349 F C 2.201 177.873 175.800 -0.212 0.000 1.073 349 F CA 1.243 59.076 58.000 -0.278 0.000 1.336 349 F CB 0.077 38.844 39.000 -0.388 0.000 1.040 349 F HN 0.488 nan 8.300 nan 0.000 0.507 350 T N -1.892 112.698 114.554 0.060 0.000 3.415 350 T HA 0.587 4.937 4.350 0.001 0.000 0.282 350 T C 0.288 175.048 174.700 0.099 0.000 1.007 350 T CA 0.024 62.121 62.100 -0.005 0.000 0.958 350 T CB 0.172 68.956 68.868 -0.140 0.000 1.171 350 T HN 0.486 nan 8.240 nan 0.000 0.500 351 G N 1.402 110.282 108.800 0.132 0.000 2.796 351 G HA2 -0.062 3.898 3.960 0.001 0.000 0.571 351 G HA3 -0.062 3.898 3.960 0.001 0.000 0.571 351 G C -0.978 174.060 174.900 0.230 0.000 1.370 351 G CA -0.758 44.460 45.100 0.198 0.000 0.856 351 G HN 0.671 nan 8.290 nan 0.000 0.538 352 L N 1.291 122.589 121.223 0.125 0.000 2.309 352 L HA 0.661 5.001 4.340 0.001 0.000 0.282 352 L C 1.522 178.168 176.870 -0.374 0.000 1.036 352 L CA -0.124 54.661 54.840 -0.092 0.000 0.806 352 L CB 1.413 43.392 42.059 -0.134 0.000 1.220 352 L HN 1.039 nan 8.230 nan 0.000 0.429 353 G N 1.360 109.552 108.800 -1.013 0.000 2.666 353 G HA2 0.555 4.515 3.960 0.001 0.000 0.207 353 G HA3 0.555 4.515 3.960 0.001 0.000 0.207 353 G C 0.125 174.111 174.900 -1.525 0.000 1.481 353 G CA 0.077 44.096 45.100 -1.801 0.000 1.071 353 G HN 0.746 nan 8.290 nan 0.000 0.572 357 W N 2.959 124.362 121.300 0.172 0.000 5.963 357 W HA -0.198 4.463 4.660 0.001 0.000 0.400 357 W C -0.352 176.278 176.519 0.186 0.000 1.530 357 W CA 1.004 58.449 57.345 0.166 0.000 1.004 357 W CB -0.772 28.796 29.460 0.179 0.000 2.706 357 W HN 0.149 nan 8.180 nan 0.000 1.495 358 D N 0.023 120.600 120.400 0.294 0.000 2.454 358 D HA 0.318 4.959 4.640 0.001 0.000 0.225 358 D C 0.750 177.186 176.300 0.226 0.000 1.081 358 D CA -0.119 54.016 54.000 0.226 0.000 0.864 358 D CB 1.223 42.100 40.800 0.129 0.000 1.040 358 D HN -0.053 nan 8.370 nan 0.000 0.517 359 S N 2.528 118.379 115.700 0.251 0.000 2.603 359 S HA -0.016 4.454 4.470 0.001 0.000 0.220 359 S C 1.385 176.109 174.600 0.207 0.000 0.967 359 S CA 0.180 58.521 58.200 0.235 0.000 0.920 359 S CB 0.226 63.562 63.200 0.226 0.000 0.773 359 S HN 0.556 nan 8.310 nan 0.000 0.529 360 E N 1.433 121.747 120.200 0.190 0.000 2.250 360 E HA 0.191 4.541 4.350 0.001 0.000 0.192 360 E C 0.833 177.558 176.600 0.209 0.000 0.986 360 E CA 0.038 56.561 56.400 0.204 0.000 0.849 360 E CB 0.094 29.882 29.700 0.146 0.000 0.797 360 E HN 0.406 nan 8.360 nan 0.000 0.482 361 A N 1.804 124.715 122.820 0.152 0.000 2.445 361 A HA 0.243 4.563 4.320 0.001 0.000 0.242 361 A C 0.289 177.940 177.584 0.112 0.000 1.075 361 A CA 0.068 52.180 52.037 0.125 0.000 0.777 361 A CB 0.419 19.436 19.000 0.028 0.000 1.013 361 A HN -0.015 nan 8.150 nan 0.000 0.493 362 R N 0.291 120.859 120.500 0.113 0.000 2.905 362 R HA 0.516 4.857 4.340 0.001 0.000 0.260 362 R C 0.378 176.680 176.300 0.002 0.000 1.086 362 R CA -0.194 55.931 56.100 0.042 0.000 0.978 362 R CB 1.102 31.415 30.300 0.022 0.000 1.215 362 R HN 0.954 nan 8.270 nan 0.000 0.480 363 G N 0.048 108.873 108.800 0.041 0.000 2.414 363 G HA2 0.393 4.354 3.960 0.001 0.000 0.236 363 G HA3 0.393 4.354 3.960 0.001 0.000 0.236 363 G C -0.646 174.198 174.900 -0.094 0.000 1.293 363 G CA 0.350 45.467 45.100 0.029 0.000 0.869 363 G HN 0.583 nan 8.290 nan 0.000 0.556 364 A N 1.005 123.738 122.820 -0.144 0.000 2.587 364 A HA 0.802 5.123 4.320 0.001 0.000 0.293 364 A C -1.052 176.325 177.584 -0.344 0.000 1.087 364 A CA -0.539 51.313 52.037 -0.309 0.000 0.692 364 A CB 2.006 20.799 19.000 -0.344 0.000 1.291 364 A HN 1.271 nan 8.150 nan 0.000 0.407 365 V N 0.511 120.076 119.914 -0.582 0.000 2.841 365 V HA 0.761 4.882 4.120 0.001 0.000 0.310 365 V C -1.293 174.379 176.094 -0.704 0.000 1.090 365 V CA -0.366 61.702 62.300 -0.386 0.000 0.930 365 V CB 1.536 33.312 31.823 -0.078 0.000 1.014 365 V HN 0.778 nan 8.190 nan 0.000 0.425 366 F N 0.487 120.475 119.950 0.064 0.000 2.629 366 F HA 0.773 5.300 4.527 0.001 0.000 0.316 366 F C 1.019 176.884 175.800 0.109 0.000 1.081 366 F CA -0.005 58.038 58.000 0.071 0.000 0.954 366 F CB 2.112 41.141 39.000 0.048 0.000 1.337 366 F HN 0.748 nan 8.300 nan 0.000 0.474 367 G N 1.028 110.007 108.800 0.297 0.000 2.148 367 G HA2 -0.265 3.695 3.960 0.001 0.000 0.254 367 G HA3 -0.265 3.695 3.960 0.001 0.000 0.254 367 G C -0.252 174.726 174.900 0.129 0.000 0.981 367 G CA -0.306 44.913 45.100 0.199 0.000 0.670 367 G HN 0.533 nan 8.290 nan 0.000 0.528 368 L N 1.406 122.699 121.223 0.117 0.000 2.453 368 L HA 0.541 4.881 4.340 0.001 0.000 0.272 368 L C 1.231 178.145 176.870 0.073 0.000 1.182 368 L CA 0.725 55.623 54.840 0.096 0.000 0.858 368 L CB 0.778 42.894 42.059 0.094 0.000 1.120 368 L HN 0.476 nan 8.230 nan 0.000 0.474 369 T N -1.328 113.264 114.554 0.062 0.000 2.838 369 T HA 0.294 4.644 4.350 0.001 0.000 0.292 369 T C 0.713 175.435 174.700 0.036 0.000 1.113 369 T CA -0.952 61.176 62.100 0.046 0.000 1.008 369 T CB 1.737 70.630 68.868 0.042 0.000 1.259 369 T HN 0.561 nan 8.240 nan 0.000 0.520 370 R N -0.018 120.498 120.500 0.026 0.000 2.127 370 R HA -0.047 4.294 4.340 0.001 0.000 0.238 370 R C 2.018 178.328 176.300 0.016 0.000 1.134 370 R CA 1.914 58.025 56.100 0.017 0.000 0.975 370 R CB -1.036 29.271 30.300 0.013 0.000 0.865 370 R HN 0.863 nan 8.270 nan 0.000 0.447 371 G N -0.097 108.715 108.800 0.020 0.000 2.920 371 G HA2 -0.032 3.929 3.960 0.001 0.000 0.208 371 G HA3 -0.032 3.929 3.960 0.001 0.000 0.208 371 G C 0.064 174.979 174.900 0.024 0.000 1.159 371 G CA -0.108 45.002 45.100 0.018 0.000 0.784 371 G HN 0.201 nan 8.290 nan 0.000 0.535 372 T N 1.985 116.560 114.554 0.036 0.000 2.867 372 T HA 0.362 4.712 4.350 0.001 0.000 0.297 372 T C 0.852 175.580 174.700 0.047 0.000 0.989 372 T CA 0.431 62.563 62.100 0.055 0.000 1.159 372 T CB 0.885 69.806 68.868 0.088 0.000 0.928 372 T HN 0.346 nan 8.240 nan 0.000 0.538 373 T N 0.409 114.992 114.554 0.048 0.000 2.937 373 T HA 0.423 4.773 4.350 0.001 0.000 0.283 373 T C 1.392 176.125 174.700 0.055 0.000 1.012 373 T CA -1.132 60.986 62.100 0.031 0.000 0.997 373 T CB 1.541 70.418 68.868 0.017 0.000 1.136 373 T HN 0.480 nan 8.240 nan 0.000 0.551 374 K N 0.257 120.667 120.400 0.018 0.000 2.063 374 K HA -0.210 4.111 4.320 0.001 0.000 0.208 374 K C 1.823 178.469 176.600 0.077 0.000 1.048 374 K CA 1.902 58.204 56.287 0.024 0.000 0.928 374 K CB -0.283 32.202 32.500 -0.025 0.000 0.713 374 K HN 0.645 nan 8.250 nan 0.000 0.442 375 E N 1.257 121.481 120.200 0.039 0.000 2.058 375 E HA -0.193 4.157 4.350 0.001 0.000 0.194 375 E C 1.805 178.426 176.600 0.034 0.000 0.997 375 E CA 1.783 58.198 56.400 0.026 0.000 0.801 375 E CB -0.236 29.466 29.700 0.004 0.000 0.746 375 E HN 0.398 nan 8.360 nan 0.000 0.450 376 D N -0.488 119.941 120.400 0.048 0.000 2.117 376 D HA -0.152 4.488 4.640 0.001 0.000 0.197 376 D C 1.793 178.130 176.300 0.061 0.000 0.987 376 D CA 0.715 54.736 54.000 0.035 0.000 0.829 376 D CB -0.368 40.459 40.800 0.045 0.000 0.961 376 D HN 0.133 nan 8.370 nan 0.000 0.460 377 F N 1.403 121.343 119.950 -0.017 0.000 2.102 377 F HA -0.210 4.317 4.527 0.001 0.000 0.298 377 F C 2.323 178.127 175.800 0.008 0.000 1.105 377 F CA 0.987 58.990 58.000 0.005 0.000 1.239 377 F CB -0.158 38.846 39.000 0.006 0.000 0.991 377 F HN -0.229 nan 8.300 nan 0.000 0.474 378 V N 0.712 120.735 119.914 0.182 0.000 2.343 378 V HA -0.310 3.810 4.120 0.001 0.000 0.247 378 V C 2.520 178.592 176.094 -0.036 0.000 1.051 378 V CA 2.247 64.596 62.300 0.081 0.000 1.036 378 V CB -0.787 31.073 31.823 0.061 0.000 0.654 378 V HN 0.306 nan 8.190 nan 0.000 0.451 379 R N 0.409 120.868 120.500 -0.068 0.000 2.083 379 R HA -0.194 4.147 4.340 0.001 0.000 0.237 379 R C 2.283 178.464 176.300 -0.198 0.000 1.137 379 R CA 1.861 57.871 56.100 -0.150 0.000 0.951 379 R CB -0.504 29.707 30.300 -0.148 0.000 0.851 379 R HN 0.470 nan 8.270 nan 0.000 0.434 380 A N -0.050 122.666 122.820 -0.173 0.000 1.902 380 A HA -0.135 4.186 4.320 0.001 0.000 0.217 380 A C 2.175 179.684 177.584 -0.124 0.000 1.181 380 A CA 2.028 53.967 52.037 -0.163 0.000 0.623 380 A CB -0.869 18.014 19.000 -0.196 0.000 0.818 380 A HN 0.503 nan 8.150 nan 0.000 0.443 381 T N 0.358 114.819 114.554 -0.155 0.000 2.746 381 T HA -0.069 4.282 4.350 0.001 0.000 0.267 381 T C 1.813 176.476 174.700 -0.061 0.000 1.039 381 T CA 1.384 63.437 62.100 -0.078 0.000 1.142 381 T CB -0.333 68.535 68.868 -0.001 0.000 0.866 381 T HN 0.353 nan 8.240 nan 0.000 0.444 382 L N 0.704 121.866 121.223 -0.102 0.000 2.056 382 L HA -0.114 4.226 4.340 0.001 0.000 0.207 382 L C 2.873 179.617 176.870 -0.211 0.000 1.078 382 L CA 1.331 56.091 54.840 -0.132 0.000 0.749 382 L CB -0.514 41.449 42.059 -0.161 0.000 0.901 382 L HN 0.332 nan 8.230 nan 0.000 0.433 383 Q N -0.468 119.139 119.800 -0.321 0.000 2.224 383 Q HA -0.159 4.182 4.340 0.001 0.000 0.203 383 Q C 2.372 178.146 176.000 -0.377 0.000 0.970 383 Q CA 1.176 56.678 55.803 -0.502 0.000 0.865 383 Q CB -0.220 28.097 28.738 -0.702 0.000 0.922 383 Q HN 0.543 nan 8.270 nan 0.000 0.445 384 A N 0.652 123.381 122.820 -0.152 0.000 1.948 384 A HA -0.181 4.140 4.320 0.001 0.000 0.220 384 A C 2.263 179.697 177.584 -0.250 0.000 1.177 384 A CA 1.580 53.532 52.037 -0.141 0.000 0.636 384 A CB -0.870 18.177 19.000 0.078 0.000 0.815 384 A HN 0.305 nan 8.150 nan 0.000 0.449 385 V N -0.470 119.363 119.914 -0.135 0.000 2.427 385 V HA -0.103 4.018 4.120 0.001 0.000 0.248 385 V C 2.723 178.773 176.094 -0.072 0.000 1.051 385 V CA 2.173 64.433 62.300 -0.068 0.000 1.048 385 V CB -0.658 31.197 31.823 0.053 0.000 0.666 385 V HN 0.607 nan 8.190 nan 0.000 0.456 386 A N -1.092 121.659 122.820 -0.115 0.000 1.898 386 A HA -0.169 4.151 4.320 0.001 0.000 0.216 386 A C 2.025 179.486 177.584 -0.206 0.000 1.181 386 A CA 1.972 53.942 52.037 -0.112 0.000 0.620 386 A CB -0.804 18.183 19.000 -0.022 0.000 0.819 386 A HN 0.638 nan 8.150 nan 0.000 0.442 387 Y N 0.383 120.480 120.300 -0.338 0.000 2.163 387 Y HA -0.199 4.351 4.550 0.001 0.000 0.288 387 Y C 2.718 178.299 175.900 -0.532 0.000 1.136 387 Y CA 1.426 59.131 58.100 -0.658 0.000 1.147 387 Y CB -0.915 36.569 38.460 -1.627 0.000 0.987 387 Y HN 0.449 nan 8.280 nan 0.000 0.509 388 Q N -0.781 118.829 119.800 -0.316 0.000 2.124 388 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 388 Q C 2.346 178.337 176.000 -0.013 0.000 0.977 388 Q CA 1.710 57.525 55.803 0.020 0.000 0.850 388 Q CB -0.338 28.420 28.738 0.032 0.000 0.901 388 Q HN 0.325 nan 8.270 nan 0.000 0.429 389 S N 0.802 116.456 115.700 -0.076 0.000 2.399 389 S HA -0.140 4.331 4.470 0.001 0.000 0.231 389 S C 1.763 176.326 174.600 -0.061 0.000 1.022 389 S CA 1.021 59.171 58.200 -0.082 0.000 0.983 389 S CB -0.072 63.092 63.200 -0.059 0.000 0.803 389 S HN 0.276 nan 8.310 nan 0.000 0.480 390 K N 0.974 121.338 120.400 -0.060 0.000 2.103 390 K HA -0.116 4.205 4.320 0.001 0.000 0.204 390 K C 1.243 177.844 176.600 0.003 0.000 1.052 390 K CA 1.328 57.550 56.287 -0.107 0.000 0.945 390 K CB -0.088 32.238 32.500 -0.290 0.000 0.722 390 K HN 0.152 nan 8.250 nan 0.000 0.443 391 D N 0.472 120.967 120.400 0.159 0.000 2.104 391 D HA -0.166 4.474 4.640 0.001 0.000 0.194 391 D C 1.927 178.237 176.300 0.017 0.000 0.994 391 D CA 1.160 55.275 54.000 0.191 0.000 0.830 391 D CB -0.233 40.706 40.800 0.231 0.000 0.959 391 D HN 0.038 nan 8.370 nan 0.000 0.452 392 V N 1.394 121.292 119.914 -0.027 0.000 2.307 392 V HA -0.188 3.933 4.120 0.001 0.000 0.245 392 V C 2.470 178.546 176.094 -0.031 0.000 1.045 392 V CA 0.878 63.145 62.300 -0.056 0.000 1.024 392 V CB -0.195 31.582 31.823 -0.077 0.000 0.651 392 V HN 0.158 nan 8.190 nan 0.000 0.449 393 I N 0.370 120.919 120.570 -0.035 0.000 2.226 393 I HA -0.206 3.965 4.170 0.001 0.000 0.245 393 I C 2.290 178.392 176.117 -0.025 0.000 1.100 393 I CA 1.723 63.003 61.300 -0.032 0.000 1.374 393 I CB -1.305 36.664 38.000 -0.052 0.000 1.057 393 I HN 0.335 nan 8.210 nan 0.000 0.413 394 D N 0.574 120.958 120.400 -0.027 0.000 2.123 394 D HA -0.142 4.499 4.640 0.001 0.000 0.196 394 D C 2.207 178.509 176.300 0.004 0.000 0.992 394 D CA 1.586 55.580 54.000 -0.010 0.000 0.833 394 D CB -0.224 40.586 40.800 0.017 0.000 0.954 394 D HN 0.236 nan 8.370 nan 0.000 0.455 395 T N 0.349 114.903 114.554 -0.001 0.000 2.788 395 T HA -0.102 4.249 4.350 0.001 0.000 0.268 395 T C 2.065 176.774 174.700 0.014 0.000 1.044 395 T CA 0.838 62.938 62.100 0.001 0.000 1.139 395 T CB -0.116 68.739 68.868 -0.022 0.000 0.867 395 T HN 0.159 nan 8.240 nan 0.000 0.454 396 M N 0.554 120.162 119.600 0.013 0.000 2.117 396 M HA -0.084 4.397 4.480 0.001 0.000 0.262 396 M C 2.386 178.698 176.300 0.019 0.000 1.065 396 M CA 1.620 56.934 55.300 0.023 0.000 1.114 396 M CB -0.353 32.261 32.600 0.023 0.000 1.361 396 M HN 0.154 nan 8.290 nan 0.000 0.408 397 K N 0.158 120.564 120.400 0.010 0.000 2.026 397 K HA -0.172 4.148 4.320 0.001 0.000 0.208 397 K C 2.058 178.666 176.600 0.012 0.000 1.048 397 K CA 1.309 57.601 56.287 0.008 0.000 0.929 397 K CB -0.139 32.361 32.500 -0.001 0.000 0.713 397 K HN 0.218 nan 8.250 nan 0.000 0.439 398 K N 0.545 120.954 120.400 0.014 0.000 2.148 398 K HA -0.130 4.190 4.320 0.001 0.000 0.204 398 K C 1.270 177.883 176.600 0.021 0.000 1.050 398 K CA 1.489 57.786 56.287 0.017 0.000 0.942 398 K CB 0.201 32.712 32.500 0.018 0.000 0.724 398 K HN 0.072 nan 8.250 nan 0.000 0.446 399 D N -0.918 119.497 120.400 0.025 0.000 2.213 399 D HA -0.072 4.568 4.640 0.001 0.000 0.205 399 D C 1.842 178.159 176.300 0.029 0.000 0.961 399 D CA 1.166 55.185 54.000 0.032 0.000 0.853 399 D CB 0.191 41.017 40.800 0.043 0.000 0.967 399 D HN 0.195 nan 8.370 nan 0.000 0.496 400 S N -1.272 114.445 115.700 0.028 0.000 2.483 400 S HA 0.267 4.738 4.470 0.001 0.000 0.221 400 S C 1.900 176.512 174.600 0.020 0.000 1.030 400 S CA 0.776 58.992 58.200 0.026 0.000 0.925 400 S CB 0.538 63.756 63.200 0.031 0.000 0.795 400 S HN 0.249 nan 8.310 nan 0.000 0.511 401 G N 1.415 110.225 108.800 0.018 0.000 2.184 401 G HA2 -0.287 3.674 3.960 0.001 0.000 0.264 401 G HA3 -0.287 3.674 3.960 0.001 0.000 0.264 401 G C 0.064 174.972 174.900 0.013 0.000 0.975 401 G CA 0.433 45.542 45.100 0.014 0.000 0.642 401 G HN 0.726 nan 8.290 nan 0.000 0.536 402 I N 1.278 121.857 120.570 0.016 0.000 2.581 402 I HA 0.322 4.493 4.170 0.001 0.000 0.288 402 I C -0.299 175.824 176.117 0.011 0.000 1.047 402 I CA -0.738 60.571 61.300 0.016 0.000 1.374 402 I CB 0.514 38.527 38.000 0.021 0.000 1.423 402 I HN 0.027 nan 8.210 nan 0.000 0.549 403 D N 7.940 128.345 120.400 0.009 0.000 2.302 403 D HA 0.321 4.961 4.640 0.001 0.000 0.248 403 D C -0.302 176.001 176.300 0.004 0.000 1.094 403 D CA 0.289 54.291 54.000 0.004 0.000 0.897 403 D CB 1.781 42.583 40.800 0.003 0.000 1.200 403 D HN 0.362 nan 8.370 nan 0.000 0.429 404 I N 3.523 124.092 120.570 -0.002 0.000 2.668 404 I HA 0.115 4.286 4.170 0.001 0.000 0.276 404 I C -1.579 174.533 176.117 -0.008 0.000 1.139 404 I CA -1.361 59.937 61.300 -0.003 0.000 1.133 404 I CB 1.700 39.698 38.000 -0.005 0.000 1.327 404 I HN 0.131 nan 8.210 nan 0.000 0.520 405 P HA 0.092 nan 4.420 nan 0.000 0.245 405 P C 0.000 177.298 177.300 -0.004 0.000 1.203 405 P CA 0.380 63.475 63.100 -0.007 0.000 0.792 405 P CB 1.066 32.763 31.700 -0.005 0.000 0.997 406 L N 0.047 121.270 121.223 -0.000 0.000 2.470 406 L HA 0.465 4.806 4.340 0.001 0.000 0.268 406 L C -1.569 175.306 176.870 0.009 0.000 0.964 406 L CA -0.906 53.937 54.840 0.005 0.000 0.839 406 L CB 2.225 44.286 42.059 0.004 0.000 1.276 406 L HN -0.227 nan 8.230 nan 0.000 0.403 407 L N 5.228 126.462 121.223 0.018 0.000 2.316 407 L HA 0.515 4.856 4.340 0.001 0.000 0.280 407 L C -0.606 176.290 176.870 0.043 0.000 1.006 407 L CA -0.623 54.233 54.840 0.026 0.000 0.836 407 L CB 1.336 43.411 42.059 0.026 0.000 1.221 407 L HN 0.748 nan 8.230 nan 0.000 0.418 408 K N 3.616 124.037 120.400 0.036 0.000 2.218 408 K HA 0.517 4.837 4.320 0.001 0.000 0.276 408 K C -0.578 176.067 176.600 0.076 0.000 1.022 408 K CA -0.385 55.928 56.287 0.043 0.000 0.946 408 K CB 1.860 34.367 32.500 0.011 0.000 1.000 408 K HN 0.464 nan 8.250 nan 0.000 0.468 409 V N -1.064 118.910 119.914 0.101 0.000 3.007 409 V HA 0.681 4.801 4.120 0.001 0.000 0.311 409 V C -1.251 174.928 176.094 0.143 0.000 1.120 409 V CA -0.842 61.557 62.300 0.164 0.000 0.980 409 V CB 1.972 33.935 31.823 0.233 0.000 1.033 409 V HN 1.007 nan 8.190 nan 0.000 0.429 410 D N 0.143 120.655 120.400 0.185 0.000 2.768 410 D HA 0.824 5.465 4.640 0.001 0.000 0.327 410 D C -0.043 176.375 176.300 0.198 0.000 1.302 410 D CA -0.078 54.011 54.000 0.148 0.000 0.897 410 D CB 1.177 42.038 40.800 0.101 0.000 1.420 410 D HN 2.102 nan 8.370 nan 0.000 0.494 411 G N -2.271 106.621 108.800 0.153 0.000 2.650 411 G HA2 0.388 4.349 3.960 0.001 0.000 0.686 411 G HA3 0.388 4.349 3.960 0.001 0.000 0.686 411 G C 0.714 175.699 174.900 0.141 0.000 1.205 411 G CA 0.061 45.261 45.100 0.168 0.000 0.781 411 G HN 1.198 nan 8.290 nan 0.000 0.648 412 G N 0.363 109.240 108.800 0.128 0.000 2.469 412 G HA2 0.190 4.150 3.960 0.001 0.000 0.219 412 G HA3 0.190 4.150 3.960 0.001 0.000 0.219 412 G C 2.103 177.050 174.900 0.077 0.000 1.150 412 G CA 2.637 47.795 45.100 0.096 0.000 0.763 412 G HN 2.109 nan 8.290 nan 0.000 0.561 413 A N 0.691 123.574 122.820 0.104 0.000 2.172 413 A HA 0.426 4.746 4.320 0.001 0.000 0.216 413 A C 2.546 180.098 177.584 -0.054 0.000 1.154 413 A CA 1.695 53.766 52.037 0.056 0.000 0.701 413 A CB -0.367 18.705 19.000 0.121 0.000 0.789 413 A HN 0.762 nan 8.150 nan 0.000 0.465 414 A N 0.745 123.540 122.820 -0.041 0.000 2.206 414 A HA -0.009 4.312 4.320 0.001 0.000 0.211 414 A C 1.883 179.394 177.584 -0.121 0.000 1.158 414 A CA 1.164 53.092 52.037 -0.181 0.000 0.761 414 A CB -0.463 18.503 19.000 -0.056 0.000 0.801 414 A HN 0.722 nan 8.150 nan 0.000 0.473 415 K N 0.039 120.411 120.400 -0.046 0.000 2.365 415 K HA -0.090 4.230 4.320 0.001 0.000 0.199 415 K C 0.544 177.127 176.600 -0.028 0.000 1.045 415 K CA 0.931 57.212 56.287 -0.010 0.000 0.962 415 K CB -0.516 31.992 32.500 0.013 0.000 0.759 415 K HN 0.474 nan 8.250 nan 0.000 0.469 416 N N 1.807 120.456 118.700 -0.084 0.000 2.402 416 N HA -0.041 4.700 4.740 0.001 0.000 0.259 416 N C -0.137 175.295 175.510 -0.130 0.000 1.167 416 N CA -0.397 52.598 53.050 -0.092 0.000 0.949 416 N CB 0.608 39.026 38.487 -0.115 0.000 1.212 416 N HN 0.100 nan 8.380 nan 0.000 0.493 417 D N 3.448 123.834 120.400 -0.024 0.000 2.149 417 D HA -0.196 4.444 4.640 0.001 0.000 0.198 417 D C 1.756 178.042 176.300 -0.024 0.000 0.990 417 D CA 1.184 55.224 54.000 0.066 0.000 0.839 417 D CB 0.171 41.111 40.800 0.232 0.000 0.948 417 D HN 0.608 nan 8.370 nan 0.000 0.460 418 L N 0.104 121.308 121.223 -0.033 0.000 2.141 418 L HA -0.134 4.206 4.340 0.001 0.000 0.209 418 L C 2.416 179.228 176.870 -0.097 0.000 1.094 418 L CA 0.330 55.147 54.840 -0.038 0.000 0.763 418 L CB -0.288 41.743 42.059 -0.047 0.000 0.908 418 L HN 0.065 nan 8.230 nan 0.000 0.437 419 L N -0.641 120.477 121.223 -0.174 0.000 2.072 419 L HA -0.142 4.199 4.340 0.001 0.000 0.205 419 L C 2.471 179.172 176.870 -0.283 0.000 1.079 419 L CA 1.715 56.431 54.840 -0.208 0.000 0.752 419 L CB -0.376 41.531 42.059 -0.254 0.000 0.906 419 L HN 0.123 nan 8.230 nan 0.000 0.436 420 M N -0.906 118.391 119.600 -0.505 0.000 2.159 420 M HA -0.182 4.298 4.480 0.001 0.000 0.263 420 M C 2.309 178.231 176.300 -0.631 0.000 1.063 420 M CA 1.538 56.366 55.300 -0.785 0.000 1.110 420 M CB -1.251 30.482 32.600 -1.445 0.000 1.374 420 M HN 0.405 nan 8.290 nan 0.000 0.411 421 Q N 0.173 119.727 119.800 -0.410 0.000 2.084 421 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 421 Q C 1.888 177.879 176.000 -0.016 0.000 0.978 421 Q CA 1.646 57.435 55.803 -0.024 0.000 0.844 421 Q CB -0.618 28.209 28.738 0.148 0.000 0.898 421 Q HN 0.413 nan 8.270 nan 0.000 0.426 422 F N 0.614 120.459 119.950 -0.175 0.000 2.134 422 F HA -0.170 4.358 4.527 0.001 0.000 0.299 422 F C 2.223 177.909 175.800 -0.190 0.000 1.097 422 F CA 1.897 59.795 58.000 -0.170 0.000 1.264 422 F CB -0.408 38.464 39.000 -0.214 0.000 1.001 422 F HN 0.215 nan 8.300 nan 0.000 0.479 423 Q N 0.781 120.479 119.800 -0.171 0.000 2.061 423 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 423 Q C 2.232 178.094 176.000 -0.229 0.000 0.984 423 Q CA 2.306 57.971 55.803 -0.230 0.000 0.846 423 Q CB -0.764 27.865 28.738 -0.183 0.000 0.902 423 Q HN 0.430 nan 8.270 nan 0.000 0.421 424 A N 0.331 123.051 122.820 -0.167 0.000 1.933 424 A HA -0.195 4.126 4.320 0.001 0.000 0.218 424 A C 1.825 179.329 177.584 -0.133 0.000 1.175 424 A CA 1.749 53.727 52.037 -0.099 0.000 0.628 424 A CB -0.743 18.258 19.000 0.001 0.000 0.814 424 A HN 0.482 nan 8.150 nan 0.000 0.444 425 D N 0.161 120.454 120.400 -0.177 0.000 2.084 425 D HA -0.127 4.513 4.640 0.001 0.000 0.194 425 D C 1.922 178.061 176.300 -0.268 0.000 0.990 425 D CA 1.114 54.999 54.000 -0.192 0.000 0.826 425 D CB -0.292 40.395 40.800 -0.189 0.000 0.971 425 D HN 0.320 nan 8.370 nan 0.000 0.453 426 I N 0.533 120.831 120.570 -0.454 0.000 2.286 426 I HA -0.183 3.987 4.170 0.001 0.000 0.248 426 I C 2.205 178.142 176.117 -0.301 0.000 1.115 426 I CA 0.709 61.757 61.300 -0.421 0.000 1.392 426 I CB -0.660 36.978 38.000 -0.604 0.000 1.065 426 I HN 0.028 nan 8.210 nan 0.000 0.418 427 L N 0.304 121.372 121.223 -0.259 0.000 2.240 427 L HA -0.085 4.256 4.340 0.001 0.000 0.211 427 L C 0.752 177.536 176.870 -0.144 0.000 1.106 427 L CA 1.033 55.755 54.840 -0.197 0.000 0.793 427 L CB -0.866 41.105 42.059 -0.146 0.000 0.927 427 L HN 0.294 nan 8.230 nan 0.000 0.446 428 D N -0.604 119.720 120.400 -0.127 0.000 2.835 428 D HA -0.205 4.436 4.640 0.001 0.000 0.230 428 D C -0.159 176.106 176.300 -0.059 0.000 1.130 428 D CA 1.014 54.964 54.000 -0.084 0.000 0.738 428 D CB -0.993 39.761 40.800 -0.077 0.000 1.090 428 D HN 0.451 nan 8.370 nan 0.000 0.433 429 I N -4.237 116.302 120.570 -0.053 0.000 3.191 429 I HA 0.597 4.767 4.170 0.001 0.000 0.313 429 I C -0.429 175.682 176.117 -0.011 0.000 1.193 429 I CA -1.143 60.139 61.300 -0.030 0.000 0.968 429 I CB 1.842 39.823 38.000 -0.032 0.000 1.262 429 I HN -0.316 nan 8.210 nan 0.000 0.456 430 D N 2.461 122.864 120.400 0.004 0.000 2.341 430 D HA 0.398 5.039 4.640 0.001 0.000 0.245 430 D C -0.598 175.728 176.300 0.044 0.000 1.106 430 D CA 0.049 54.067 54.000 0.029 0.000 0.905 430 D CB 2.341 43.155 40.800 0.024 0.000 1.202 430 D HN 0.296 nan 8.370 nan 0.000 0.426 431 V N 2.412 122.381 119.914 0.091 0.000 2.409 431 V HA 0.167 4.287 4.120 0.001 0.000 0.290 431 V C -0.100 176.102 176.094 0.180 0.000 1.017 431 V CA -0.664 61.697 62.300 0.101 0.000 0.841 431 V CB 1.546 33.396 31.823 0.045 0.000 1.003 431 V HN 0.394 nan 8.190 nan 0.000 0.426 432 Q N 4.819 124.692 119.800 0.122 0.000 2.372 432 Q HA 0.430 4.770 4.340 0.001 0.000 0.259 432 Q C -0.021 176.054 176.000 0.125 0.000 0.993 432 Q CA -0.596 55.280 55.803 0.121 0.000 0.854 432 Q CB 1.151 29.924 28.738 0.058 0.000 1.231 432 Q HN 0.741 nan 8.270 nan 0.000 0.462 433 R N 2.656 123.263 120.500 0.179 0.000 2.390 433 R HA 0.468 4.808 4.340 0.001 0.000 0.291 433 R C -0.789 175.568 176.300 0.095 0.000 1.070 433 R CA 0.006 56.194 56.100 0.148 0.000 1.014 433 R CB 0.832 31.270 30.300 0.229 0.000 1.007 433 R HN 0.660 nan 8.270 nan 0.000 0.466 434 A N 3.195 126.059 122.820 0.075 0.000 2.386 434 A HA 0.345 4.665 4.320 0.001 0.000 0.248 434 A C 1.177 178.794 177.584 0.055 0.000 1.082 434 A CA 0.356 52.423 52.037 0.051 0.000 0.789 434 A CB 0.577 19.602 19.000 0.043 0.000 1.025 434 A HN 1.011 nan 8.150 nan 0.000 0.490 435 A N 1.832 124.678 122.820 0.043 0.000 1.972 435 A HA -0.049 4.272 4.320 0.001 0.000 0.219 435 A C 0.824 178.442 177.584 0.057 0.000 1.169 435 A CA 1.197 53.261 52.037 0.046 0.000 0.635 435 A CB -0.310 18.714 19.000 0.040 0.000 0.810 435 A HN 0.759 nan 8.150 nan 0.000 0.446 436 N N -0.006 118.730 118.700 0.060 0.000 2.483 436 N HA 0.394 5.135 4.740 0.001 0.000 0.267 436 N C -0.118 175.435 175.510 0.072 0.000 0.998 436 N CA -0.437 52.657 53.050 0.074 0.000 0.918 436 N CB 1.716 40.260 38.487 0.095 0.000 1.215 436 N HN -0.002 nan 8.380 nan 0.000 0.500 437 L N 1.151 122.419 121.223 0.075 0.000 2.127 437 L HA -0.142 4.198 4.340 0.001 0.000 0.211 437 L C 1.479 178.400 176.870 0.086 0.000 1.089 437 L CA 1.527 56.415 54.840 0.080 0.000 0.757 437 L CB -0.395 41.709 42.059 0.076 0.000 0.899 437 L HN 0.530 nan 8.230 nan 0.000 0.434 438 E N -0.744 119.511 120.200 0.092 0.000 2.515 438 E HA -0.006 4.345 4.350 0.001 0.000 0.315 438 E C 1.153 177.807 176.600 0.091 0.000 1.523 438 E CA 0.171 56.633 56.400 0.104 0.000 1.704 438 E CB -0.527 29.246 29.700 0.121 0.000 1.395 438 E HN 0.223 nan 8.360 nan 0.000 0.490 439 T N -0.391 114.198 114.554 0.059 0.000 2.995 439 T HA -0.088 4.263 4.350 0.001 0.000 0.269 439 T C 1.444 176.146 174.700 0.004 0.000 1.091 439 T CA 1.411 63.517 62.100 0.010 0.000 1.128 439 T CB 0.046 68.924 68.868 0.018 0.000 0.891 439 T HN 0.338 nan 8.240 nan 0.000 0.492 440 T N 2.057 116.638 114.554 0.046 0.000 2.674 440 T HA -0.059 4.291 4.350 0.001 0.000 0.265 440 T C 2.422 177.147 174.700 0.040 0.000 1.039 440 T CA 1.269 63.400 62.100 0.051 0.000 1.150 440 T CB -0.508 68.403 68.868 0.071 0.000 0.864 440 T HN 0.435 nan 8.240 nan 0.000 0.427 441 A N 1.085 123.951 122.820 0.077 0.000 1.933 441 A HA -0.004 4.317 4.320 0.001 0.000 0.218 441 A C 2.246 179.833 177.584 0.005 0.000 1.175 441 A CA 1.246 53.359 52.037 0.127 0.000 0.628 441 A CB -0.831 18.320 19.000 0.251 0.000 0.814 441 A HN 0.400 nan 8.150 nan 0.000 0.444 442 L N 0.183 121.301 121.223 -0.174 0.000 2.042 442 L HA -0.072 4.268 4.340 0.001 0.000 0.210 442 L C 2.414 178.876 176.870 -0.679 0.000 1.076 442 L CA 2.333 56.735 54.840 -0.730 0.000 0.749 442 L CB -1.011 40.658 42.059 -0.650 0.000 0.893 442 L HN 0.313 nan 8.230 nan 0.000 0.432 443 G N -1.248 107.402 108.800 -0.251 0.000 2.418 443 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 443 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 443 G C 1.603 176.503 174.900 0.001 0.000 1.158 443 G CA 0.833 45.950 45.100 0.029 0.000 0.771 443 G HN 0.637 nan 8.290 nan 0.000 0.545 444 A N 1.148 123.949 122.820 -0.032 0.000 1.902 444 A HA 0.275 4.596 4.320 0.001 0.000 0.217 444 A C 2.819 180.424 177.584 0.034 0.000 1.181 444 A CA 2.247 54.281 52.037 -0.004 0.000 0.623 444 A CB -0.782 18.238 19.000 0.033 0.000 0.818 444 A HN 0.792 nan 8.150 nan 0.000 0.443 445 A N -1.266 121.558 122.820 0.007 0.000 1.902 445 A HA -0.073 4.247 4.320 0.001 0.000 0.217 445 A C 2.094 179.888 177.584 0.351 0.000 1.181 445 A CA 1.598 53.705 52.037 0.117 0.000 0.623 445 A CB -0.769 18.197 19.000 -0.057 0.000 0.818 445 A HN 0.537 nan 8.150 nan 0.000 0.443 446 Y N 0.038 120.414 120.300 0.127 0.000 2.181 446 Y HA -0.119 4.432 4.550 0.001 0.000 0.288 446 Y C 2.244 178.275 175.900 0.218 0.000 1.146 446 Y CA 0.757 58.954 58.100 0.162 0.000 1.164 446 Y CB -1.003 37.539 38.460 0.137 0.000 0.982 446 Y HN 0.196 nan 8.280 nan 0.000 0.515 447 L N -0.904 120.410 121.223 0.152 0.000 2.046 447 L HA -0.235 4.105 4.340 0.001 0.000 0.208 447 L C 2.648 179.560 176.870 0.069 0.000 1.077 447 L CA 1.277 56.074 54.840 -0.072 0.000 0.747 447 L CB -0.846 41.049 42.059 -0.272 0.000 0.896 447 L HN 0.165 nan 8.230 nan 0.000 0.432 448 A N 0.149 123.039 122.820 0.117 0.000 1.898 448 A HA -0.094 4.227 4.320 0.001 0.000 0.216 448 A C 2.406 180.065 177.584 0.126 0.000 1.181 448 A CA 1.614 53.701 52.037 0.083 0.000 0.620 448 A CB -1.235 17.803 19.000 0.064 0.000 0.819 448 A HN 0.435 nan 8.150 nan 0.000 0.442 449 G N -0.129 108.860 108.800 0.315 0.000 2.418 449 G HA2 -0.172 3.789 3.960 0.001 0.000 0.217 449 G HA3 -0.172 3.789 3.960 0.001 0.000 0.217 449 G C 1.561 176.693 174.900 0.387 0.000 1.158 449 G CA 1.040 46.363 45.100 0.372 0.000 0.771 449 G HN 0.421 nan 8.290 nan 0.000 0.545 450 L N 0.648 122.121 121.223 0.417 0.000 2.046 450 L HA -0.071 4.269 4.340 0.001 0.000 0.208 450 L C 3.431 180.378 176.870 0.129 0.000 1.077 450 L CA 0.962 55.959 54.840 0.262 0.000 0.747 450 L CB -0.407 41.772 42.059 0.201 0.000 0.896 450 L HN 0.317 nan 8.230 nan 0.000 0.432 451 A N 0.091 122.955 122.820 0.074 0.000 1.883 451 A HA -0.182 4.138 4.320 0.001 0.000 0.217 451 A C 2.152 179.730 177.584 -0.011 0.000 1.186 451 A CA 2.147 54.178 52.037 -0.010 0.000 0.624 451 A CB -0.854 18.094 19.000 -0.088 0.000 0.822 451 A HN 0.353 nan 8.150 nan 0.000 0.444 452 V N -4.013 115.906 119.914 0.008 0.000 3.541 452 V HA 0.510 4.631 4.120 0.001 0.000 0.267 452 V C 1.424 177.540 176.094 0.038 0.000 1.213 452 V CA 0.940 63.243 62.300 0.005 0.000 1.149 452 V CB -0.665 31.150 31.823 -0.014 0.000 0.822 452 V HN 1.612 nan 8.190 nan 0.000 0.462 453 G N -0.352 108.488 108.800 0.067 0.000 2.157 453 G HA2 -0.348 3.613 3.960 0.001 0.000 0.239 453 G HA3 -0.348 3.613 3.960 0.001 0.000 0.239 453 G C 0.372 175.298 174.900 0.044 0.000 0.982 453 G CA 0.383 45.518 45.100 0.058 0.000 0.650 453 G HN 0.548 nan 8.290 nan 0.000 0.527 454 F N 0.493 120.345 119.950 -0.163 0.000 2.161 454 F HA 0.215 4.742 4.527 0.001 0.000 0.300 454 F C 1.040 176.544 175.800 -0.494 0.000 1.089 454 F CA 1.330 59.089 58.000 -0.402 0.000 1.282 454 F CB 0.117 38.750 39.000 -0.611 0.000 1.010 454 F HN 0.255 nan 8.300 nan 0.000 0.485 455 W N 0.774 122.129 121.300 0.091 0.000 2.702 455 W HA 0.277 4.937 4.660 0.001 0.000 0.331 455 W C 0.945 177.455 176.519 -0.016 0.000 1.049 455 W CA -1.025 56.305 57.345 -0.025 0.000 1.230 455 W CB 1.274 30.738 29.460 0.005 0.000 1.408 455 W HN -0.327 nan 8.180 nan 0.000 0.492 456 K N 1.023 121.517 120.400 0.158 0.000 2.155 456 K HA -0.079 4.241 4.320 0.001 0.000 0.203 456 K C 0.179 176.815 176.600 0.059 0.000 1.052 456 K CA 1.228 57.560 56.287 0.076 0.000 0.948 456 K CB 0.096 32.617 32.500 0.034 0.000 0.728 456 K HN 0.622 nan 8.250 nan 0.000 0.448 457 D N -2.987 117.442 120.400 0.048 0.000 2.725 457 D HA -0.001 4.640 4.640 0.001 0.000 0.292 457 D C 0.480 176.731 176.300 -0.081 0.000 1.288 457 D CA -0.708 53.286 54.000 -0.009 0.000 0.784 457 D CB 0.175 40.959 40.800 -0.026 0.000 1.308 457 D HN -0.204 nan 8.370 nan 0.000 0.429 458 L N 0.503 121.633 121.223 -0.155 0.000 2.042 458 L HA -0.074 4.266 4.340 0.001 0.000 0.210 458 L C 1.247 177.933 176.870 -0.305 0.000 1.076 458 L CA 2.135 56.778 54.840 -0.328 0.000 0.749 458 L CB -0.749 41.011 42.059 -0.498 0.000 0.893 458 L HN 0.498 nan 8.230 nan 0.000 0.432 459 D N -0.801 119.479 120.400 -0.200 0.000 2.221 459 D HA -0.235 4.405 4.640 0.001 0.000 0.204 459 D C 2.088 178.303 176.300 -0.142 0.000 0.982 459 D CA 1.226 55.139 54.000 -0.145 0.000 0.857 459 D CB 0.026 40.770 40.800 -0.093 0.000 0.934 459 D HN 0.575 nan 8.370 nan 0.000 0.475 460 E N -0.187 119.929 120.200 -0.140 0.000 2.150 460 E HA -0.160 4.190 4.350 0.001 0.000 0.193 460 E C 1.693 178.128 176.600 -0.274 0.000 0.985 460 E CA 0.500 56.819 56.400 -0.134 0.000 0.814 460 E CB 0.018 29.693 29.700 -0.042 0.000 0.752 460 E HN 0.058 nan 8.360 nan 0.000 0.466 461 L N 1.477 122.452 121.223 -0.414 0.000 2.046 461 L HA -0.155 4.185 4.340 0.001 0.000 0.208 461 L C 2.137 178.753 176.870 -0.424 0.000 1.077 461 L CA 1.762 56.189 54.840 -0.689 0.000 0.747 461 L CB -0.583 41.000 42.059 -0.794 0.000 0.896 461 L HN 0.078 nan 8.230 nan 0.000 0.432 462 K N -0.615 119.648 120.400 -0.230 0.000 2.152 462 K HA -0.149 4.172 4.320 0.001 0.000 0.206 462 K C 2.071 178.602 176.600 -0.115 0.000 1.048 462 K CA 1.504 57.716 56.287 -0.125 0.000 0.933 462 K CB -0.339 32.123 32.500 -0.063 0.000 0.721 462 K HN 0.460 nan 8.250 nan 0.000 0.447 463 S N 0.470 116.096 115.700 -0.124 0.000 2.507 463 S HA -0.066 4.405 4.470 0.001 0.000 0.235 463 S C 1.713 176.271 174.600 -0.070 0.000 0.988 463 S CA 0.844 58.995 58.200 -0.081 0.000 0.944 463 S CB -0.165 62.995 63.200 -0.066 0.000 0.762 463 S HN 0.230 nan 8.310 nan 0.000 0.526 464 M N 1.144 120.678 119.600 -0.111 0.000 2.371 464 M HA 0.379 4.860 4.480 0.001 0.000 0.246 464 M C 0.848 177.136 176.300 -0.020 0.000 1.103 464 M CA -0.080 55.187 55.300 -0.056 0.000 1.010 464 M CB 0.074 32.622 32.600 -0.087 0.000 1.457 464 M HN 0.356 nan 8.290 nan 0.000 0.486 465 A N 2.231 125.023 122.820 -0.047 0.000 2.546 465 A HA 0.111 4.432 4.320 0.001 0.000 0.243 465 A C 0.016 177.594 177.584 -0.009 0.000 1.063 465 A CA 0.603 52.622 52.037 -0.030 0.000 0.757 465 A CB -0.039 18.927 19.000 -0.056 0.000 0.991 465 A HN 0.480 nan 8.150 nan 0.000 0.503 466 E N 2.054 122.256 120.200 0.003 0.000 2.281 466 E HA 0.284 4.634 4.350 0.001 0.000 0.266 466 E C -0.947 175.658 176.600 0.009 0.000 0.893 466 E CA -0.537 55.869 56.400 0.011 0.000 0.798 466 E CB 0.900 30.617 29.700 0.029 0.000 1.245 466 E HN 0.729 nan 8.360 nan 0.000 0.410 467 E N 1.919 122.121 120.200 0.003 0.000 2.283 467 E HA 0.429 4.780 4.350 0.001 0.000 0.267 467 E C 0.086 176.694 176.600 0.012 0.000 1.045 467 E CA -0.403 56.000 56.400 0.005 0.000 0.884 467 E CB 1.798 31.495 29.700 -0.004 0.000 1.106 467 E HN 0.637 nan 8.360 nan 0.000 0.408 468 G N 0.223 109.038 108.800 0.023 0.000 2.857 468 G HA2 0.185 4.146 3.960 0.001 0.000 0.217 468 G HA3 0.185 4.146 3.960 0.001 0.000 0.217 468 G C -0.333 174.571 174.900 0.006 0.000 1.357 468 G CA -0.352 44.765 45.100 0.027 0.000 1.033 468 G HN 0.340 nan 8.290 nan 0.000 0.571 469 Q N -0.521 119.278 119.800 -0.002 0.000 2.315 469 Q HA 0.329 4.670 4.340 0.001 0.000 0.289 469 Q C -0.202 175.720 176.000 -0.130 0.000 1.044 469 Q CA 0.210 55.933 55.803 -0.134 0.000 0.920 469 Q CB 0.759 29.348 28.738 -0.248 0.000 1.214 469 Q HN 0.396 nan 8.270 nan 0.000 0.392 470 M N 4.738 124.198 119.600 -0.233 0.000 2.180 470 M HA 0.482 4.962 4.480 0.001 0.000 0.350 470 M C -1.880 174.259 176.300 -0.268 0.000 1.125 470 M CA -0.097 55.133 55.300 -0.116 0.000 1.031 470 M CB 0.625 33.181 32.600 -0.073 0.000 1.623 470 M HN 0.502 nan 8.290 nan 0.000 0.451 471 F N 3.016 122.952 119.950 -0.025 0.000 2.427 471 F HA 0.633 5.160 4.527 0.001 0.000 0.346 471 F C 0.420 176.201 175.800 -0.031 0.000 1.120 471 F CA -0.519 57.464 58.000 -0.029 0.000 1.033 471 F CB 1.682 40.660 39.000 -0.037 0.000 1.126 471 F HN 0.645 nan 8.300 nan 0.000 0.462 472 T N 1.230 115.844 114.554 0.101 0.000 2.855 472 T HA 0.598 4.948 4.350 0.001 0.000 0.281 472 T C -2.934 171.792 174.700 0.043 0.000 1.007 472 T CA -2.923 59.207 62.100 0.050 0.000 1.009 472 T CB 1.815 70.688 68.868 0.009 0.000 0.983 472 T HN 0.110 nan 8.240 nan 0.000 0.455 473 P HA 0.197 nan 4.420 nan 0.000 0.265 473 P C 0.102 177.402 177.300 0.001 0.000 1.187 473 P CA 0.036 63.132 63.100 -0.006 0.000 0.766 473 P CB 0.520 32.204 31.700 -0.026 0.000 0.820 474 E N 1.020 121.221 120.200 0.001 0.000 2.555 474 E HA 0.108 4.459 4.350 0.001 0.000 0.209 474 E C 0.519 177.122 176.600 0.005 0.000 0.847 474 E CA -0.169 56.236 56.400 0.007 0.000 1.438 474 E CB 0.062 29.775 29.700 0.021 0.000 1.420 474 E HN 0.396 nan 8.360 nan 0.000 0.755 475 M N 2.914 122.512 119.600 -0.003 0.000 2.248 475 M HA 0.139 4.620 4.480 0.001 0.000 0.345 475 M C -2.303 173.995 176.300 -0.003 0.000 1.243 475 M CA -1.505 53.794 55.300 -0.000 0.000 1.090 475 M CB 0.592 33.180 32.600 -0.020 0.000 1.683 475 M HN -0.235 nan 8.290 nan 0.000 0.450 476 P HA 0.086 nan 4.420 nan 0.000 0.285 476 P C -0.657 176.648 177.300 0.007 0.000 1.282 476 P CA 0.087 63.193 63.100 0.011 0.000 0.778 476 P CB 0.407 32.119 31.700 0.021 0.000 1.222 477 A N -0.656 122.171 122.820 0.011 0.000 1.942 477 A HA -0.032 4.288 4.320 0.001 0.000 0.209 477 A C 1.831 179.431 177.584 0.027 0.000 1.214 477 A CA 0.803 52.847 52.037 0.011 0.000 0.686 477 A CB -0.997 18.008 19.000 0.009 0.000 0.871 477 A HN 0.464 nan 8.150 nan 0.000 0.460 478 E N 0.520 120.739 120.200 0.031 0.000 2.077 478 E HA -0.191 4.159 4.350 0.001 0.000 0.193 478 E C 1.830 178.465 176.600 0.058 0.000 0.989 478 E CA 1.493 57.917 56.400 0.041 0.000 0.800 478 E CB -0.262 29.460 29.700 0.036 0.000 0.746 478 E HN 0.800 nan 8.360 nan 0.000 0.452 479 E N 0.871 121.106 120.200 0.058 0.000 2.047 479 E HA -0.252 4.098 4.350 0.001 0.000 0.191 479 E C 2.250 178.910 176.600 0.100 0.000 0.987 479 E CA 1.154 57.602 56.400 0.080 0.000 0.799 479 E CB -0.014 29.729 29.700 0.073 0.000 0.752 479 E HN 0.160 nan 8.360 nan 0.000 0.449 480 R N 0.623 121.162 120.500 0.065 0.000 2.083 480 R HA -0.187 4.153 4.340 0.001 0.000 0.237 480 R C 1.793 178.163 176.300 0.116 0.000 1.137 480 R CA 2.254 58.387 56.100 0.056 0.000 0.951 480 R CB -0.294 29.997 30.300 -0.014 0.000 0.851 480 R HN 0.187 nan 8.270 nan 0.000 0.434 481 D N 0.011 120.470 120.400 0.100 0.000 2.117 481 D HA -0.165 4.475 4.640 0.001 0.000 0.197 481 D C 1.590 177.981 176.300 0.152 0.000 0.987 481 D CA 1.392 55.472 54.000 0.132 0.000 0.829 481 D CB -0.499 40.353 40.800 0.087 0.000 0.961 481 D HN 0.328 nan 8.370 nan 0.000 0.460 482 N N 0.496 119.273 118.700 0.127 0.000 2.084 482 N HA -0.087 4.654 4.740 0.001 0.000 0.190 482 N C 2.029 177.648 175.510 0.180 0.000 1.030 482 N CA 0.695 53.819 53.050 0.125 0.000 0.849 482 N CB -0.250 38.304 38.487 0.111 0.000 1.012 482 N HN 0.078 nan 8.380 nan 0.000 0.423 483 L N -0.954 120.416 121.223 0.245 0.000 2.042 483 L HA -0.213 4.127 4.340 0.001 0.000 0.210 483 L C 2.032 179.085 176.870 0.305 0.000 1.076 483 L CA 1.279 56.341 54.840 0.370 0.000 0.749 483 L CB -0.604 41.741 42.059 0.476 0.000 0.893 483 L HN 0.308 nan 8.230 nan 0.000 0.432 484 Y N 1.195 121.561 120.300 0.110 0.000 2.263 484 Y HA -0.243 4.308 4.550 0.001 0.000 0.292 484 Y C 2.593 178.483 175.900 -0.017 0.000 1.130 484 Y CA 1.658 59.765 58.100 0.012 0.000 1.179 484 Y CB -0.210 38.290 38.460 0.067 0.000 0.998 484 Y HN 0.389 nan 8.280 nan 0.000 0.532 485 E N -1.562 118.619 120.200 -0.032 0.000 2.150 485 E HA -0.101 4.249 4.350 0.001 0.000 0.193 485 E C 2.409 178.839 176.600 -0.283 0.000 0.985 485 E CA 1.180 57.480 56.400 -0.166 0.000 0.814 485 E CB -0.898 28.769 29.700 -0.056 0.000 0.752 485 E HN 0.413 nan 8.360 nan 0.000 0.466 486 G N 1.314 109.978 108.800 -0.227 0.000 2.418 486 G HA2 -0.280 3.680 3.960 0.001 0.000 0.217 486 G HA3 -0.280 3.680 3.960 0.001 0.000 0.217 486 G C 1.224 175.428 174.900 -1.160 0.000 1.158 486 G CA 0.666 45.475 45.100 -0.484 0.000 0.771 486 G HN 0.535 nan 8.290 nan 0.000 0.545 487 W N 1.652 122.226 121.300 -1.209 0.000 2.355 487 W HA -0.042 4.618 4.660 0.001 0.000 0.309 487 W C 2.146 178.219 176.519 -0.744 0.000 1.206 487 W CA 1.474 58.172 57.345 -1.079 0.000 1.284 487 W CB -0.166 28.721 29.460 -0.956 0.000 1.145 487 W HN 0.190 nan 8.180 nan 0.000 0.502 488 K N 0.308 120.261 120.400 -0.745 0.000 2.103 488 K HA -0.230 4.090 4.320 0.001 0.000 0.207 488 K C 2.192 178.424 176.600 -0.613 0.000 1.048 488 K CA 1.921 57.808 56.287 -0.665 0.000 0.930 488 K CB -0.361 31.839 32.500 -0.501 0.000 0.716 488 K HN 0.329 nan 8.250 nan 0.000 0.444 489 Q N -0.199 119.244 119.800 -0.596 0.000 2.123 489 Q HA -0.050 4.290 4.340 0.001 0.000 0.199 489 Q C 2.157 177.730 176.000 -0.711 0.000 0.966 489 Q CA 1.062 56.544 55.803 -0.534 0.000 0.845 489 Q CB -0.014 28.465 28.738 -0.431 0.000 0.907 489 Q HN 0.324 nan 8.270 nan 0.000 0.439 490 A N 0.355 122.641 122.820 -0.890 0.000 1.898 490 A HA -0.131 4.190 4.320 0.001 0.000 0.216 490 A C 2.298 179.360 177.584 -0.871 0.000 1.181 490 A CA 1.250 52.679 52.037 -1.013 0.000 0.620 490 A CB -0.660 17.904 19.000 -0.726 0.000 0.819 490 A HN 0.197 nan 8.150 nan 0.000 0.442 491 V N -0.082 119.258 119.914 -0.957 0.000 2.343 491 V HA -0.239 3.882 4.120 0.001 0.000 0.247 491 V C 3.065 178.812 176.094 -0.578 0.000 1.051 491 V CA 1.908 63.696 62.300 -0.854 0.000 1.036 491 V CB -1.272 29.911 31.823 -1.067 0.000 0.654 491 V HN 0.614 nan 8.190 nan 0.000 0.451 492 A N 0.085 122.598 122.820 -0.512 0.000 1.908 492 A HA -0.159 4.162 4.320 0.001 0.000 0.218 492 A C 2.421 179.828 177.584 -0.295 0.000 1.181 492 A CA 2.252 54.086 52.037 -0.338 0.000 0.627 492 A CB -0.819 18.007 19.000 -0.290 0.000 0.818 492 A HN 0.581 nan 8.150 nan 0.000 0.445 493 A N -1.185 121.384 122.820 -0.419 0.000 1.930 493 A HA -0.061 4.260 4.320 0.001 0.000 0.217 493 A C 2.286 179.822 177.584 -0.080 0.000 1.175 493 A CA 2.220 54.055 52.037 -0.336 0.000 0.627 493 A CB -1.244 17.319 19.000 -0.729 0.000 0.815 493 A HN 0.433 nan 8.150 nan 0.000 0.443 494 T N 0.346 114.852 114.554 -0.079 0.000 2.720 494 T HA -0.189 4.161 4.350 0.001 0.000 0.268 494 T C 1.891 176.624 174.700 0.055 0.000 1.037 494 T CA 1.744 63.914 62.100 0.116 0.000 1.144 494 T CB -0.306 68.554 68.868 -0.012 0.000 0.864 494 T HN 0.628 nan 8.240 nan 0.000 0.444 495 Q N 0.627 120.386 119.800 -0.069 0.000 2.437 495 Q HA -0.060 4.280 4.340 0.001 0.000 0.210 495 Q C 2.386 178.401 176.000 0.025 0.000 0.972 495 Q CA 1.308 57.089 55.803 -0.036 0.000 0.903 495 Q CB -0.290 28.388 28.738 -0.100 0.000 0.967 495 Q HN 0.691 nan 8.270 nan 0.000 0.486 496 T N -2.644 111.938 114.554 0.047 0.000 3.088 496 T HA -0.011 4.340 4.350 0.001 0.000 0.259 496 T C 0.229 174.999 174.700 0.117 0.000 1.122 496 T CA -0.171 61.964 62.100 0.058 0.000 1.095 496 T CB -0.073 68.820 68.868 0.042 0.000 0.930 496 T HN 0.110 nan 8.240 nan 0.000 0.508 497 F N 2.864 122.836 119.950 0.036 0.000 2.335 497 F HA 0.500 5.027 4.527 0.001 0.000 0.365 497 F C -0.212 175.632 175.800 0.072 0.000 1.122 497 F CA -1.312 56.723 58.000 0.057 0.000 1.151 497 F CB 0.572 39.613 39.000 0.068 0.000 1.282 497 F HN -0.147 nan 8.300 nan 0.000 0.513 498 K N 7.059 127.295 120.400 -0.273 0.000 2.240 498 K HA 0.223 4.544 4.320 0.001 0.000 0.271 498 K C -0.580 175.907 176.600 -0.189 0.000 1.018 498 K CA -0.675 55.536 56.287 -0.127 0.000 0.874 498 K CB 1.457 33.912 32.500 -0.075 0.000 1.098 498 K HN 0.515 nan 8.250 nan 0.000 0.458 499 F N 0.000 119.884 119.950 -0.110 0.000 2.286 499 F HA 0.000 4.527 4.527 0.001 0.000 0.279 499 F CA 0.000 57.971 58.000 -0.048 0.000 1.383 499 F CB 0.000 39.051 39.000 0.086 0.000 1.145 499 F HN 0.000 nan 8.300 nan 0.000 0.574