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 3gc2_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAXRSAQVYR WQIPXDAGVV LRDRRLKTRD GLYVCLRDGE REGWGEISPL DATA SEQUENCE PGFSQETWEE AQTALLTWVN DWLQGSEGLP EXPSVAFGAS CALAELTGVL DATA SEQUENCE PEAADYRAAP LCTGDPDDLV LRLADXPGEK IAKVKVGLYE AVRDGXVVNL DATA SEQUENCE LLEAIPDLHL RLDANRAWTP LKAQQFAKYV NPDYRARIAF LEEPCKTRDD DATA SEQUENCE SRAFARETGI AIAWDESLRE ADFTFEAEEG VRAVVIKPTL TGSLDKVREQ DATA SEQUENCE VAAAHALGLT AVISSSIESS LGLTQLARIA AWLTPGTLPG LDTLHLXQAQ DATA SEQUENCE QIRPWPGSAL PCLKREELER LL 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 -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.426 175.510 -0.139 0.000 1.280 -1 N CA 0.000 52.941 53.050 -0.181 0.000 0.885 -1 N CB 0.000 38.331 38.487 -0.260 0.000 1.341 3 S N 0.385 116.193 115.700 0.180 0.000 2.596 3 S HA 0.950 5.420 4.470 -0.000 0.000 0.270 3 S C -1.430 173.297 174.600 0.212 0.000 1.155 3 S CA -0.566 57.724 58.200 0.151 0.000 0.827 3 S CB 2.657 65.899 63.200 0.070 0.000 1.130 3 S HN 0.879 nan 8.310 nan 0.000 0.467 4 A N 0.643 123.524 122.820 0.102 0.000 2.594 4 A HA 0.847 5.167 4.320 -0.000 0.000 0.295 4 A C -1.769 175.780 177.584 -0.059 0.000 1.071 4 A CA -0.784 51.257 52.037 0.005 0.000 0.685 4 A CB 1.807 20.823 19.000 0.028 0.000 1.285 4 A HN 0.734 nan 8.150 nan 0.000 0.405 5 Q N -0.302 119.418 119.800 -0.133 0.000 2.372 5 Q HA 0.676 5.016 4.340 -0.000 0.000 0.273 5 Q C -1.214 174.653 176.000 -0.222 0.000 1.078 5 Q CA -0.574 55.107 55.803 -0.204 0.000 0.806 5 Q CB 2.675 31.295 28.738 -0.197 0.000 1.332 5 Q HN 0.549 nan 8.270 nan 0.000 0.435 6 V N 2.545 122.282 119.914 -0.295 0.000 2.588 6 V HA 0.560 4.679 4.120 -0.000 0.000 0.304 6 V C -1.381 174.564 176.094 -0.249 0.000 1.042 6 V CA -0.771 61.455 62.300 -0.124 0.000 0.877 6 V CB 1.095 32.896 31.823 -0.037 0.000 0.996 6 V HN 0.671 nan 8.190 nan 0.000 0.425 7 Y N 3.399 123.833 120.300 0.222 0.000 2.485 7 Y HA 0.779 5.329 4.550 -0.000 0.000 0.345 7 Y C 0.292 176.327 175.900 0.226 0.000 0.998 7 Y CA -0.926 57.343 58.100 0.281 0.000 1.059 7 Y CB 1.991 40.740 38.460 0.483 0.000 1.234 7 Y HN 0.710 nan 8.280 nan 0.000 0.461 8 R N 2.917 123.616 120.500 0.332 0.000 2.803 8 R HA 0.731 5.071 4.340 -0.000 0.000 0.276 8 R C -1.735 174.752 176.300 0.310 0.000 0.978 8 R CA -0.666 55.537 56.100 0.172 0.000 0.939 8 R CB 2.382 32.735 30.300 0.088 0.000 1.179 8 R HN 0.853 nan 8.270 nan 0.000 0.472 9 W N 0.415 121.861 121.300 0.242 0.000 3.066 9 W HA 0.388 5.048 4.660 -0.000 0.000 0.330 9 W C -1.930 174.583 176.519 -0.009 0.000 1.253 9 W CA -0.935 56.474 57.345 0.107 0.000 1.187 9 W CB 1.161 30.611 29.460 -0.015 0.000 1.434 9 W HN 0.565 nan 8.180 nan 0.000 0.572 10 Q N 1.903 121.912 119.800 0.348 0.000 2.275 10 Q HA 0.495 4.835 4.340 -0.000 0.000 0.266 10 Q C -0.889 175.228 176.000 0.195 0.000 1.002 10 Q CA -0.805 55.079 55.803 0.136 0.000 0.761 10 Q CB 3.203 31.949 28.738 0.014 0.000 1.255 10 Q HN 0.395 nan 8.270 nan 0.000 0.446 11 I N 4.117 124.803 120.570 0.194 0.000 2.321 11 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 11 I C -2.094 174.040 176.117 0.028 0.000 0.998 11 I CA -2.145 59.205 61.300 0.083 0.000 1.227 11 I CB 1.216 39.237 38.000 0.035 0.000 1.368 11 I HN 0.289 nan 8.210 nan 0.000 0.466 15 A N -0.188 122.632 122.820 -0.000 0.000 2.440 15 A HA 0.573 4.893 4.320 -0.000 0.000 0.251 15 A C 1.149 178.735 177.584 0.002 0.000 1.089 15 A CA 0.974 53.011 52.037 -0.000 0.000 0.779 15 A CB -0.003 18.999 19.000 0.003 0.000 1.022 15 A HN 1.321 nan 8.150 nan 0.000 0.492 16 G N 0.928 109.727 108.800 -0.003 0.000 2.141 16 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.195 16 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.195 16 G C -0.181 174.714 174.900 -0.008 0.000 1.012 16 G CA -0.104 44.995 45.100 -0.002 0.000 0.696 16 G HN 1.367 nan 8.290 nan 0.000 0.508 17 V N 0.528 120.432 119.914 -0.016 0.000 2.350 17 V HA 0.701 4.820 4.120 -0.000 0.000 0.276 17 V C 0.338 176.418 176.094 -0.024 0.000 1.028 17 V CA -0.567 61.719 62.300 -0.025 0.000 0.860 17 V CB 1.582 33.383 31.823 -0.037 0.000 0.990 17 V HN 0.552 nan 8.190 nan 0.000 0.453 18 V N 7.624 127.524 119.914 -0.025 0.000 2.656 18 V HA 0.687 4.807 4.120 -0.000 0.000 0.307 18 V C -0.969 175.123 176.094 -0.002 0.000 1.051 18 V CA -0.455 61.833 62.300 -0.020 0.000 0.893 18 V CB 1.985 33.785 31.823 -0.037 0.000 0.999 18 V HN 0.765 nan 8.190 nan 0.000 0.426 19 L N 6.827 128.066 121.223 0.025 0.000 2.482 19 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 19 L C 0.284 177.193 176.870 0.066 0.000 0.967 19 L CA -0.892 54.007 54.840 0.100 0.000 0.851 19 L CB 1.961 44.133 42.059 0.187 0.000 1.242 19 L HN 0.736 nan 8.230 nan 0.000 0.404 20 R N 1.862 122.372 120.500 0.018 0.000 3.251 20 R HA -0.221 4.118 4.340 -0.000 0.000 0.249 20 R C -0.257 176.005 176.300 -0.064 0.000 0.949 20 R CA 0.816 56.869 56.100 -0.079 0.000 0.645 20 R CB -1.228 28.946 30.300 -0.209 0.000 1.065 20 R HN 0.892 nan 8.270 nan 0.000 0.452 21 D N -0.322 120.049 120.400 -0.047 0.000 2.705 21 D HA -0.183 4.457 4.640 -0.000 0.000 0.240 21 D C -0.783 175.497 176.300 -0.033 0.000 1.137 21 D CA 1.629 55.604 54.000 -0.043 0.000 0.677 21 D CB -0.200 40.572 40.800 -0.047 0.000 1.049 21 D HN 0.575 nan 8.370 nan 0.000 0.427 22 R N 0.023 120.510 120.500 -0.021 0.000 2.774 22 R HA 0.563 4.903 4.340 -0.000 0.000 0.272 22 R C -0.360 175.933 176.300 -0.012 0.000 1.000 22 R CA -1.023 55.069 56.100 -0.014 0.000 0.906 22 R CB 1.381 31.680 30.300 -0.003 0.000 1.227 22 R HN -0.112 nan 8.270 nan 0.000 0.468 23 R N 1.916 122.409 120.500 -0.013 0.000 2.215 23 R HA 0.261 4.600 4.340 -0.000 0.000 0.336 23 R C -0.904 175.387 176.300 -0.016 0.000 0.996 23 R CA -0.925 55.166 56.100 -0.014 0.000 0.847 23 R CB 1.050 31.342 30.300 -0.013 0.000 1.127 23 R HN 0.306 nan 8.270 nan 0.000 0.465 24 L N 4.853 126.064 121.223 -0.020 0.000 2.328 24 L HA 0.222 4.562 4.340 -0.000 0.000 0.280 24 L C 0.914 177.765 176.870 -0.032 0.000 1.111 24 L CA 0.418 55.240 54.840 -0.030 0.000 0.909 24 L CB 0.462 42.501 42.059 -0.035 0.000 1.277 24 L HN 0.453 nan 8.230 nan 0.000 0.433 25 K N 1.173 121.555 120.400 -0.031 0.000 2.243 25 K HA 0.117 4.437 4.320 -0.000 0.000 0.201 25 K C 0.348 176.930 176.600 -0.030 0.000 1.051 25 K CA 1.007 57.279 56.287 -0.025 0.000 0.970 25 K CB 0.172 32.662 32.500 -0.016 0.000 0.755 25 K HN 0.722 nan 8.250 nan 0.000 0.465 26 T N -1.496 113.029 114.554 -0.049 0.000 2.883 26 T HA 0.498 4.847 4.350 -0.000 0.000 0.301 26 T C -1.200 173.444 174.700 -0.093 0.000 1.158 26 T CA -1.157 60.908 62.100 -0.058 0.000 1.007 26 T CB 2.415 71.243 68.868 -0.066 0.000 1.186 26 T HN -0.142 nan 8.240 nan 0.000 0.499 27 R N 1.347 121.808 120.500 -0.064 0.000 2.295 27 R HA 0.555 4.895 4.340 -0.000 0.000 0.324 27 R C -1.383 174.812 176.300 -0.175 0.000 0.968 27 R CA -0.402 55.653 56.100 -0.075 0.000 0.837 27 R CB 0.463 30.794 30.300 0.052 0.000 1.133 27 R HN 0.697 nan 8.270 nan 0.000 0.450 28 D N 2.547 122.603 120.400 -0.572 0.000 2.192 28 D HA 0.635 5.275 4.640 -0.000 0.000 0.246 28 D C -0.090 175.279 176.300 -1.551 0.000 1.042 28 D CA -0.171 53.048 54.000 -1.303 0.000 0.847 28 D CB 2.028 41.627 40.800 -2.002 0.000 1.186 28 D HN 0.702 nan 8.370 nan 0.000 0.461 29 G N 0.111 107.700 108.800 -2.019 0.000 2.554 29 G HA2 0.629 4.588 3.960 -0.000 0.000 0.306 29 G HA3 0.629 4.588 3.960 -0.000 0.000 0.306 29 G C -1.764 172.284 174.900 -1.420 0.000 1.320 29 G CA -0.646 43.455 45.100 -1.664 0.000 0.800 29 G HN 0.344 nan 8.290 nan 0.000 0.481 30 L N -1.014 119.795 121.223 -0.691 0.000 2.415 30 L HA 0.693 5.033 4.340 -0.000 0.000 0.256 30 L C -1.547 175.449 176.870 0.210 0.000 1.010 30 L CA -0.961 53.762 54.840 -0.196 0.000 0.826 30 L CB 2.466 44.541 42.059 0.026 0.000 1.405 30 L HN 0.515 nan 8.230 nan 0.000 0.410 31 Y N 0.136 120.769 120.300 0.555 0.000 2.536 31 Y HA 0.719 5.269 4.550 -0.000 0.000 0.347 31 Y C -0.378 175.735 175.900 0.356 0.000 1.000 31 Y CA -1.148 57.276 58.100 0.539 0.000 1.051 31 Y CB 2.195 41.091 38.460 0.726 0.000 1.259 31 Y HN 0.182 nan 8.280 nan 0.000 0.468 32 V N 2.390 122.529 119.914 0.377 0.000 2.604 32 V HA 0.637 4.757 4.120 -0.000 0.000 0.305 32 V C -1.288 174.675 176.094 -0.217 0.000 1.043 32 V CA -0.786 61.568 62.300 0.089 0.000 0.888 32 V CB 1.479 33.326 31.823 0.040 0.000 0.995 32 V HN 0.955 nan 8.190 nan 0.000 0.429 33 C N 8.048 127.060 119.300 -0.481 0.000 2.322 33 C HA 0.680 5.139 4.460 -0.000 0.000 0.324 33 C C -0.638 174.044 174.990 -0.512 0.000 1.249 33 C CA -0.791 57.655 59.018 -0.953 0.000 1.453 33 C CB -0.508 26.380 27.740 -1.419 0.000 2.145 33 C HN 0.888 nan 8.230 nan 0.000 0.466 34 L N 6.282 127.225 121.223 -0.467 0.000 2.317 34 L HA 0.682 5.022 4.340 -0.000 0.000 0.281 34 L C 0.090 176.868 176.870 -0.155 0.000 1.024 34 L CA -0.462 54.133 54.840 -0.407 0.000 0.810 34 L CB 1.264 42.889 42.059 -0.723 0.000 1.240 34 L HN 0.633 nan 8.230 nan 0.000 0.427 35 R N 1.486 122.022 120.500 0.060 0.000 2.621 35 R HA 0.446 4.786 4.340 -0.000 0.000 0.292 35 R C -1.469 174.993 176.300 0.269 0.000 0.969 35 R CA -0.820 55.358 56.100 0.130 0.000 0.887 35 R CB 2.374 32.721 30.300 0.079 0.000 1.180 35 R HN 0.417 nan 8.270 nan 0.000 0.450 36 D N 2.130 122.648 120.400 0.196 0.000 2.336 36 D HA 0.316 4.956 4.640 -0.000 0.000 0.248 36 D C 0.620 176.969 176.300 0.082 0.000 1.326 36 D CA 0.659 54.749 54.000 0.151 0.000 0.973 36 D CB 1.120 42.037 40.800 0.195 0.000 1.255 36 D HN 0.696 nan 8.370 nan 0.000 0.558 37 G N 4.047 112.878 108.800 0.052 0.000 2.536 37 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.280 37 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.280 37 G C 0.788 175.714 174.900 0.043 0.000 1.152 37 G CA 0.374 45.495 45.100 0.036 0.000 0.970 37 G HN 0.508 nan 8.290 nan 0.000 0.549 38 E N 0.965 121.188 120.200 0.039 0.000 2.478 38 E HA 0.143 4.493 4.350 -0.000 0.000 0.194 38 E C 1.174 177.803 176.600 0.049 0.000 1.045 38 E CA -0.073 56.351 56.400 0.040 0.000 0.868 38 E CB 0.105 29.823 29.700 0.030 0.000 0.885 38 E HN 0.442 nan 8.360 nan 0.000 0.505 39 R N 0.929 121.463 120.500 0.057 0.000 2.441 39 R HA 0.274 4.614 4.340 -0.000 0.000 0.284 39 R C -0.198 176.145 176.300 0.072 0.000 1.070 39 R CA 0.069 56.207 56.100 0.064 0.000 1.047 39 R CB 1.213 31.556 30.300 0.072 0.000 1.016 39 R HN 0.044 nan 8.270 nan 0.000 0.477 40 E N 0.412 120.652 120.200 0.068 0.000 2.367 40 E HA 0.622 4.972 4.350 -0.000 0.000 0.273 40 E C -1.302 175.332 176.600 0.058 0.000 0.903 40 E CA -1.014 55.420 56.400 0.057 0.000 0.764 40 E CB 2.192 31.955 29.700 0.106 0.000 1.252 40 E HN 0.717 nan 8.360 nan 0.000 0.446 41 G N 1.906 110.698 108.800 -0.013 0.000 2.766 41 G HA2 0.485 4.445 3.960 -0.000 0.000 0.297 41 G HA3 0.485 4.445 3.960 -0.000 0.000 0.297 41 G C -2.163 172.681 174.900 -0.093 0.000 1.431 41 G CA -0.703 44.408 45.100 0.017 0.000 1.042 41 G HN 0.350 nan 8.290 nan 0.000 0.542 42 W N 0.385 121.647 121.300 -0.063 0.000 2.706 42 W HA 0.768 5.428 4.660 -0.000 0.000 0.346 42 W C 0.397 176.871 176.519 -0.075 0.000 1.071 42 W CA -0.336 56.971 57.345 -0.063 0.000 1.206 42 W CB 2.939 32.336 29.460 -0.105 0.000 1.413 42 W HN 0.854 nan 8.180 nan 0.000 0.542 43 G N 0.735 109.663 108.800 0.214 0.000 2.696 43 G HA2 0.525 4.485 3.960 -0.000 0.000 0.295 43 G HA3 0.525 4.485 3.960 -0.000 0.000 0.295 43 G C -2.067 173.013 174.900 0.301 0.000 1.398 43 G CA -0.793 44.370 45.100 0.104 0.000 0.920 43 G HN 0.369 nan 8.290 nan 0.000 0.492 44 E N 0.260 120.627 120.200 0.278 0.000 2.171 44 E HA 0.566 4.916 4.350 -0.000 0.000 0.271 44 E C -1.159 175.635 176.600 0.324 0.000 0.916 44 E CA -0.737 55.956 56.400 0.488 0.000 0.774 44 E CB 1.444 31.488 29.700 0.574 0.000 1.128 44 E HN 0.187 nan 8.360 nan 0.000 0.403 45 I N 3.649 124.389 120.570 0.283 0.000 2.464 45 I HA 0.206 4.376 4.170 -0.000 0.000 0.277 45 I C -0.851 175.332 176.117 0.109 0.000 1.040 45 I CA -0.066 61.337 61.300 0.172 0.000 1.153 45 I CB 1.711 39.777 38.000 0.110 0.000 1.274 45 I HN 0.316 nan 8.210 nan 0.000 0.469 46 S N 6.963 122.732 115.700 0.115 0.000 2.216 46 S HA 0.363 4.832 4.470 -0.000 0.000 0.156 46 S C -2.529 172.075 174.600 0.006 0.000 1.665 46 S CA -0.964 57.239 58.200 0.006 0.000 1.262 46 S CB 0.614 63.863 63.200 0.082 0.000 1.207 46 S HN 0.290 nan 8.310 nan 0.000 0.427 47 P HA 0.102 nan 4.420 nan 0.000 0.267 47 P C -0.648 176.646 177.300 -0.010 0.000 1.200 47 P CA -0.538 62.575 63.100 0.022 0.000 0.772 47 P CB 0.600 32.330 31.700 0.051 0.000 0.855 48 L N 5.813 127.044 121.223 0.013 0.000 2.265 48 L HA 0.464 4.804 4.340 -0.000 0.000 0.289 48 L C -2.447 174.484 176.870 0.101 0.000 1.033 48 L CA -2.658 52.191 54.840 0.016 0.000 0.814 48 L CB 0.727 42.760 42.059 -0.043 0.000 1.203 48 L HN 0.167 nan 8.230 nan 0.000 0.423 49 P HA 0.197 nan 4.420 nan 0.000 0.262 49 P C 0.696 178.083 177.300 0.145 0.000 1.182 49 P CA 1.066 64.210 63.100 0.075 0.000 0.761 49 P CB 0.653 32.370 31.700 0.029 0.000 0.795 50 G N 1.366 110.198 108.800 0.054 0.000 2.225 50 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 50 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 50 G C 0.564 175.297 174.900 -0.278 0.000 0.988 50 G CA 0.066 45.112 45.100 -0.090 0.000 0.625 50 G HN 0.479 nan 8.290 nan 0.000 0.527 51 F N 0.926 120.849 119.950 -0.046 0.000 2.495 51 F HA 0.393 4.920 4.527 -0.000 0.000 0.272 51 F C 1.671 177.444 175.800 -0.045 0.000 0.919 51 F CA 0.537 58.506 58.000 -0.051 0.000 1.178 51 F CB 0.062 39.027 39.000 -0.059 0.000 1.030 51 F HN 0.076 nan 8.300 nan 0.000 0.777 52 S N 2.022 117.819 115.700 0.161 0.000 2.564 52 S HA 0.032 4.502 4.470 -0.000 0.000 0.278 52 S C 0.944 175.567 174.600 0.039 0.000 1.333 52 S CA -0.503 57.742 58.200 0.075 0.000 1.048 52 S CB 1.109 64.346 63.200 0.061 0.000 0.900 52 S HN 0.167 nan 8.310 nan 0.000 0.505 53 Q N 1.251 121.064 119.800 0.022 0.000 2.123 53 Q HA -0.050 4.290 4.340 -0.000 0.000 0.199 53 Q C 0.841 176.850 176.000 0.016 0.000 0.966 53 Q CA 0.933 56.741 55.803 0.008 0.000 0.845 53 Q CB -0.205 28.534 28.738 0.002 0.000 0.907 53 Q HN 0.819 nan 8.270 nan 0.000 0.439 54 E N 1.938 122.153 120.200 0.025 0.000 2.343 54 E HA 0.169 4.519 4.350 -0.000 0.000 0.269 54 E C -0.142 176.486 176.600 0.046 0.000 1.047 54 E CA -0.192 56.226 56.400 0.030 0.000 0.874 54 E CB 0.908 30.627 29.700 0.031 0.000 1.033 54 E HN -0.002 nan 8.360 nan 0.000 0.409 55 T N -0.716 113.868 114.554 0.051 0.000 2.881 55 T HA 0.100 4.450 4.350 -0.000 0.000 0.278 55 T C 0.696 175.478 174.700 0.136 0.000 0.982 55 T CA -0.758 61.393 62.100 0.085 0.000 0.989 55 T CB 0.692 69.603 68.868 0.072 0.000 1.058 55 T HN 0.708 nan 8.240 nan 0.000 0.529 56 W N 1.424 122.686 121.300 -0.063 0.000 2.318 56 W HA -0.110 4.550 4.660 -0.000 0.000 0.313 56 W C 1.852 178.322 176.519 -0.082 0.000 1.221 56 W CA 1.706 58.992 57.345 -0.097 0.000 1.266 56 W CB -0.850 28.536 29.460 -0.124 0.000 1.150 56 W HN 0.921 nan 8.180 nan 0.000 0.496 57 E N -0.053 120.110 120.200 -0.061 0.000 2.077 57 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 57 E C 1.992 178.521 176.600 -0.118 0.000 0.989 57 E CA 2.097 58.371 56.400 -0.210 0.000 0.800 57 E CB -0.522 29.093 29.700 -0.143 0.000 0.746 57 E HN 0.419 nan 8.360 nan 0.000 0.452 58 E N 0.224 120.400 120.200 -0.040 0.000 2.072 58 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 58 E C 2.068 178.661 176.600 -0.012 0.000 0.985 58 E CA 0.888 57.276 56.400 -0.020 0.000 0.801 58 E CB -0.150 29.552 29.700 0.004 0.000 0.750 58 E HN 0.277 nan 8.360 nan 0.000 0.452 59 A N 1.332 124.156 122.820 0.006 0.000 1.933 59 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 59 A C 2.141 179.720 177.584 -0.008 0.000 1.175 59 A CA 1.670 53.719 52.037 0.021 0.000 0.628 59 A CB -0.526 18.514 19.000 0.065 0.000 0.814 59 A HN 0.241 nan 8.150 nan 0.000 0.444 60 Q N -0.657 119.097 119.800 -0.077 0.000 2.030 60 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 60 Q C 2.040 178.004 176.000 -0.061 0.000 0.986 60 Q CA 2.341 58.075 55.803 -0.115 0.000 0.843 60 Q CB -0.361 28.216 28.738 -0.268 0.000 0.904 60 Q HN 0.583 nan 8.270 nan 0.000 0.420 61 T N 0.714 115.232 114.554 -0.060 0.000 2.708 61 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 61 T C 1.810 176.520 174.700 0.017 0.000 1.037 61 T CA 1.364 63.447 62.100 -0.027 0.000 1.146 61 T CB -0.460 68.389 68.868 -0.032 0.000 0.865 61 T HN 0.493 nan 8.240 nan 0.000 0.435 62 A N 1.126 123.963 122.820 0.028 0.000 1.933 62 A HA 0.003 4.322 4.320 -0.000 0.000 0.218 62 A C 2.243 179.899 177.584 0.120 0.000 1.175 62 A CA 1.234 53.311 52.037 0.067 0.000 0.628 62 A CB -0.747 18.283 19.000 0.050 0.000 0.814 62 A HN 0.400 nan 8.150 nan 0.000 0.444 63 L N -0.241 121.038 121.223 0.093 0.000 2.027 63 L HA -0.070 4.269 4.340 -0.000 0.000 0.206 63 L C 2.283 179.264 176.870 0.184 0.000 1.074 63 L CA 1.629 56.555 54.840 0.142 0.000 0.745 63 L CB -0.549 41.561 42.059 0.084 0.000 0.898 63 L HN 0.395 nan 8.230 nan 0.000 0.433 64 L N -0.734 120.547 121.223 0.097 0.000 2.012 64 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 64 L C 2.554 179.474 176.870 0.083 0.000 1.073 64 L CA 2.001 56.883 54.840 0.069 0.000 0.748 64 L CB -1.204 40.864 42.059 0.015 0.000 0.891 64 L HN 0.527 nan 8.230 nan 0.000 0.431 65 T N -3.878 110.731 114.554 0.091 0.000 2.867 65 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 65 T C 1.478 176.247 174.700 0.115 0.000 1.057 65 T CA 0.743 62.890 62.100 0.080 0.000 1.136 65 T CB -0.637 68.272 68.868 0.069 0.000 0.874 65 T HN 0.509 nan 8.240 nan 0.000 0.466 66 W N 1.807 123.127 121.300 0.033 0.000 2.355 66 W HA -0.019 4.641 4.660 -0.000 0.000 0.309 66 W C 2.071 178.647 176.519 0.094 0.000 1.206 66 W CA 0.799 58.178 57.345 0.056 0.000 1.284 66 W CB -0.522 28.961 29.460 0.039 0.000 1.145 66 W HN 0.056 nan 8.180 nan 0.000 0.502 67 V N 1.393 121.377 119.914 0.118 0.000 2.332 67 V HA -0.376 3.744 4.120 -0.000 0.000 0.248 67 V C 2.191 178.241 176.094 -0.073 0.000 1.055 67 V CA 2.372 64.651 62.300 -0.034 0.000 1.038 67 V CB -1.337 30.545 31.823 0.099 0.000 0.651 67 V HN 0.356 nan 8.190 nan 0.000 0.450 68 N N 0.428 119.101 118.700 -0.045 0.000 2.104 68 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 68 N C 1.483 176.928 175.510 -0.108 0.000 1.024 68 N CA 1.921 54.939 53.050 -0.053 0.000 0.853 68 N CB -0.214 38.255 38.487 -0.030 0.000 1.008 68 N HN 0.471 nan 8.380 nan 0.000 0.424 69 D N -0.989 119.311 120.400 -0.166 0.000 2.123 69 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 69 D C 1.493 177.630 176.300 -0.272 0.000 0.976 69 D CA 0.576 54.456 54.000 -0.199 0.000 0.831 69 D CB -0.623 40.066 40.800 -0.186 0.000 0.974 69 D HN 0.443 nan 8.370 nan 0.000 0.469 70 W N 1.850 122.767 121.300 -0.638 0.000 2.335 70 W HA -0.145 4.515 4.660 -0.000 0.000 0.311 70 W C 1.985 178.303 176.519 -0.334 0.000 1.213 70 W CA 1.212 58.184 57.345 -0.623 0.000 1.274 70 W CB -0.467 28.363 29.460 -1.050 0.000 1.148 70 W HN -0.101 nan 8.180 nan 0.000 0.498 71 L N 0.255 121.358 121.223 -0.200 0.000 2.187 71 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 71 L C 2.117 178.782 176.870 -0.340 0.000 1.100 71 L CA 1.427 56.095 54.840 -0.287 0.000 0.765 71 L CB -0.736 41.284 42.059 -0.066 0.000 0.904 71 L HN 0.131 nan 8.230 nan 0.000 0.437 72 Q N -0.633 119.001 119.800 -0.276 0.000 2.246 72 Q HA 0.161 4.500 4.340 -0.000 0.000 0.202 72 Q C 1.127 176.979 176.000 -0.246 0.000 0.883 72 Q CA 0.486 56.157 55.803 -0.221 0.000 0.952 72 Q CB 0.801 29.450 28.738 -0.149 0.000 1.078 72 Q HN 0.543 nan 8.270 nan 0.000 0.493 73 G N 1.223 109.806 108.800 -0.361 0.000 2.144 73 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 73 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 73 G C 0.041 174.808 174.900 -0.221 0.000 0.988 73 G CA 0.282 45.191 45.100 -0.319 0.000 0.659 73 G HN 0.243 nan 8.290 nan 0.000 0.522 74 S N 0.790 116.363 115.700 -0.211 0.000 2.667 74 S HA 0.533 5.003 4.470 -0.000 0.000 0.304 74 S C 0.952 175.513 174.600 -0.065 0.000 1.135 74 S CA 0.252 58.392 58.200 -0.101 0.000 1.125 74 S CB 0.649 63.801 63.200 -0.080 0.000 0.996 74 S HN 0.427 nan 8.310 nan 0.000 0.474 75 E N 3.333 123.591 120.200 0.098 0.000 2.476 75 E HA 0.166 4.516 4.350 -0.000 0.000 0.196 75 E C 0.880 177.794 176.600 0.524 0.000 1.029 75 E CA -0.399 56.218 56.400 0.362 0.000 0.896 75 E CB -0.198 29.853 29.700 0.584 0.000 1.012 75 E HN 0.649 nan 8.360 nan 0.000 0.475 76 G N 1.956 110.953 108.800 0.328 0.000 2.287 76 G HA2 0.161 4.121 3.960 -0.000 0.000 0.235 76 G HA3 0.161 4.121 3.960 -0.000 0.000 0.235 76 G C -0.013 175.150 174.900 0.437 0.000 1.258 76 G CA -0.155 45.123 45.100 0.295 0.000 0.884 76 G HN 0.153 nan 8.290 nan 0.000 0.518 77 L N 4.085 125.461 121.223 0.255 0.000 2.399 77 L HA 0.387 4.727 4.340 -0.000 0.000 0.266 77 L C -1.282 175.634 176.870 0.076 0.000 1.114 77 L CA -1.743 53.150 54.840 0.088 0.000 0.804 77 L CB 1.448 43.480 42.059 -0.046 0.000 1.146 77 L HN 0.429 nan 8.230 nan 0.000 0.451 78 P HA 0.247 nan 4.420 nan 0.000 0.279 78 P C -0.852 176.455 177.300 0.012 0.000 1.276 78 P CA -0.582 62.543 63.100 0.042 0.000 0.801 78 P CB 0.984 32.706 31.700 0.037 0.000 1.127 82 S N 0.480 116.220 115.700 0.067 0.000 2.382 82 S HA -0.089 4.380 4.470 -0.000 0.000 0.228 82 S C 1.824 176.486 174.600 0.102 0.000 1.027 82 S CA 1.460 59.728 58.200 0.114 0.000 0.991 82 S CB -1.005 62.249 63.200 0.089 0.000 0.823 82 S HN 0.044 nan 8.310 nan 0.000 0.469 83 V N 2.506 122.436 119.914 0.028 0.000 2.379 83 V HA -0.006 4.113 4.120 -0.000 0.000 0.245 83 V C 3.154 179.153 176.094 -0.157 0.000 1.044 83 V CA 1.434 63.702 62.300 -0.054 0.000 1.036 83 V CB -1.510 30.279 31.823 -0.056 0.000 0.664 83 V HN 0.647 nan 8.190 nan 0.000 0.453 84 A N -0.113 122.645 122.820 -0.103 0.000 1.908 84 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 84 A C 2.118 179.662 177.584 -0.067 0.000 1.181 84 A CA 2.098 54.057 52.037 -0.130 0.000 0.627 84 A CB -0.716 18.260 19.000 -0.040 0.000 0.818 84 A HN 0.508 nan 8.150 nan 0.000 0.445 85 F N 1.127 121.023 119.950 -0.089 0.000 2.075 85 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 85 F C 2.348 178.121 175.800 -0.046 0.000 1.113 85 F CA 1.631 59.604 58.000 -0.045 0.000 1.218 85 F CB -0.947 38.049 39.000 -0.008 0.000 0.984 85 F HN 0.184 nan 8.300 nan 0.000 0.472 86 G N -0.349 108.311 108.800 -0.234 0.000 2.421 86 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 86 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 86 G C 1.826 176.538 174.900 -0.313 0.000 1.171 86 G CA 1.015 45.950 45.100 -0.274 0.000 0.775 86 G HN 0.657 nan 8.290 nan 0.000 0.543 87 A N 1.256 123.834 122.820 -0.403 0.000 1.902 87 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 87 A C 2.766 180.083 177.584 -0.444 0.000 1.181 87 A CA 2.685 54.338 52.037 -0.641 0.000 0.623 87 A CB -0.819 17.351 19.000 -1.383 0.000 0.818 87 A HN 0.790 nan 8.150 nan 0.000 0.443 88 S N -0.792 114.700 115.700 -0.345 0.000 2.382 88 S HA -0.207 4.262 4.470 -0.000 0.000 0.228 88 S C 1.944 176.452 174.600 -0.154 0.000 1.027 88 S CA 1.478 59.569 58.200 -0.182 0.000 0.991 88 S CB -1.323 61.822 63.200 -0.092 0.000 0.823 88 S HN 0.571 nan 8.310 nan 0.000 0.469 89 C N 2.132 121.268 119.300 -0.274 0.000 2.429 89 C HA 0.190 4.650 4.460 -0.000 0.000 0.277 89 C C 3.368 178.291 174.990 -0.111 0.000 1.262 89 C CA 0.558 59.447 59.018 -0.214 0.000 1.733 89 C CB -1.777 25.741 27.740 -0.369 0.000 2.010 89 C HN 0.772 nan 8.230 nan 0.000 0.483 90 A N 0.444 123.185 122.820 -0.132 0.000 1.908 90 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 90 A C 2.104 179.643 177.584 -0.075 0.000 1.181 90 A CA 1.558 53.537 52.037 -0.098 0.000 0.627 90 A CB -0.637 18.267 19.000 -0.161 0.000 0.818 90 A HN 0.626 nan 8.150 nan 0.000 0.445 91 L N -0.916 120.271 121.223 -0.060 0.000 2.046 91 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 91 L C 3.064 179.959 176.870 0.042 0.000 1.077 91 L CA 1.058 55.915 54.840 0.029 0.000 0.747 91 L CB -0.528 41.587 42.059 0.092 0.000 0.896 91 L HN 0.439 nan 8.230 nan 0.000 0.432 92 A N -0.394 122.437 122.820 0.020 0.000 1.969 92 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 92 A C 2.184 179.768 177.584 -0.001 0.000 1.169 92 A CA 1.330 53.381 52.037 0.023 0.000 0.635 92 A CB -0.313 18.712 19.000 0.041 0.000 0.810 92 A HN 0.428 nan 8.150 nan 0.000 0.445 93 E N -0.203 119.998 120.200 0.001 0.000 2.107 93 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 93 E C 1.931 178.545 176.600 0.022 0.000 0.982 93 E CA 0.855 57.261 56.400 0.010 0.000 0.809 93 E CB -0.244 29.481 29.700 0.042 0.000 0.756 93 E HN 0.623 nan 8.360 nan 0.000 0.459 94 L N 0.769 122.011 121.223 0.032 0.000 2.046 94 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 94 L C 2.785 179.688 176.870 0.054 0.000 1.077 94 L CA 1.723 56.597 54.840 0.057 0.000 0.747 94 L CB -0.618 41.498 42.059 0.095 0.000 0.896 94 L HN 0.285 nan 8.230 nan 0.000 0.432 95 T N -3.999 110.583 114.554 0.047 0.000 3.081 95 T HA 0.166 4.516 4.350 -0.000 0.000 0.255 95 T C 1.450 176.151 174.700 0.001 0.000 1.113 95 T CA 0.481 62.602 62.100 0.036 0.000 1.082 95 T CB 0.360 69.257 68.868 0.048 0.000 0.939 95 T HN 0.489 nan 8.240 nan 0.000 0.506 96 G N 0.494 109.282 108.800 -0.019 0.000 2.148 96 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 96 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 96 G C 0.817 175.645 174.900 -0.121 0.000 0.981 96 G CA 0.226 45.290 45.100 -0.060 0.000 0.670 96 G HN 0.521 nan 8.290 nan 0.000 0.528 97 V N -0.226 119.619 119.914 -0.115 0.000 2.427 97 V HA 0.072 4.192 4.120 -0.000 0.000 0.248 97 V C 1.671 177.483 176.094 -0.470 0.000 1.051 97 V CA 1.624 63.806 62.300 -0.195 0.000 1.048 97 V CB -0.216 31.580 31.823 -0.045 0.000 0.666 97 V HN 0.498 nan 8.190 nan 0.000 0.456 98 L N 3.014 124.041 121.223 -0.327 0.000 2.385 98 L HA 0.352 4.692 4.340 -0.000 0.000 0.281 98 L C -2.323 174.326 176.870 -0.368 0.000 1.106 98 L CA -1.896 52.715 54.840 -0.382 0.000 0.856 98 L CB 0.278 42.283 42.059 -0.090 0.000 1.186 98 L HN 0.024 nan 8.230 nan 0.000 0.453 99 P HA 0.080 nan 4.420 nan 0.000 0.269 99 P C -0.011 177.186 177.300 -0.170 0.000 1.215 99 P CA -0.034 62.866 63.100 -0.333 0.000 0.780 99 P CB 0.543 32.017 31.700 -0.376 0.000 0.898 100 E N 0.913 121.040 120.200 -0.120 0.000 2.285 100 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 100 E C 0.589 177.152 176.600 -0.061 0.000 0.997 100 E CA 0.131 56.489 56.400 -0.070 0.000 0.845 100 E CB 0.011 29.680 29.700 -0.052 0.000 0.782 100 E HN 0.513 nan 8.360 nan 0.000 0.491 101 A N 1.361 124.134 122.820 -0.078 0.000 2.462 101 A HA 0.490 4.810 4.320 -0.000 0.000 0.243 101 A C -0.031 177.463 177.584 -0.150 0.000 1.076 101 A CA 0.388 52.375 52.037 -0.083 0.000 0.773 101 A CB 0.379 19.341 19.000 -0.063 0.000 1.010 101 A HN 0.172 nan 8.150 nan 0.000 0.493 102 A N 1.447 124.112 122.820 -0.257 0.000 2.606 102 A HA 0.627 4.947 4.320 -0.000 0.000 0.293 102 A C -0.219 177.074 177.584 -0.484 0.000 1.082 102 A CA -0.497 51.227 52.037 -0.522 0.000 0.685 102 A CB 0.876 19.212 19.000 -1.108 0.000 1.284 102 A HN 0.624 nan 8.150 nan 0.000 0.408 103 D N -0.393 119.774 120.400 -0.388 0.000 2.301 103 D HA 0.087 4.726 4.640 -0.000 0.000 0.206 103 D C -0.454 175.789 176.300 -0.095 0.000 0.979 103 D CA 1.086 54.990 54.000 -0.161 0.000 0.874 103 D CB -0.146 40.618 40.800 -0.060 0.000 0.968 103 D HN 0.539 nan 8.370 nan 0.000 0.510 104 Y N 0.223 120.445 120.300 -0.130 0.000 3.589 104 Y HA -0.279 4.271 4.550 -0.000 0.000 0.218 104 Y C 0.324 176.304 175.900 0.134 0.000 1.234 104 Y CA 0.345 58.287 58.100 -0.263 0.000 1.576 104 Y CB -2.273 35.805 38.460 -0.636 0.000 1.487 104 Y HN -0.061 nan 8.280 nan 0.000 0.616 105 R N 0.261 120.921 120.500 0.267 0.000 2.778 105 R HA 0.915 5.254 4.340 -0.000 0.000 0.277 105 R C -0.207 176.258 176.300 0.274 0.000 0.977 105 R CA -0.270 55.992 56.100 0.271 0.000 0.950 105 R CB 2.093 32.484 30.300 0.151 0.000 1.165 105 R HN 0.199 nan 8.270 nan 0.000 0.474 106 A N 0.809 123.761 122.820 0.220 0.000 2.587 106 A HA 0.703 5.023 4.320 -0.000 0.000 0.293 106 A C -1.282 176.357 177.584 0.091 0.000 1.087 106 A CA -0.740 51.385 52.037 0.146 0.000 0.692 106 A CB 1.658 20.723 19.000 0.108 0.000 1.291 106 A HN 0.734 nan 8.150 nan 0.000 0.407 107 A N 2.391 125.250 122.820 0.065 0.000 2.484 107 A HA 0.575 4.895 4.320 -0.000 0.000 0.268 107 A C -2.320 175.282 177.584 0.030 0.000 1.114 107 A CA -0.952 51.110 52.037 0.041 0.000 0.780 107 A CB -0.764 18.253 19.000 0.028 0.000 1.061 107 A HN 0.464 nan 8.150 nan 0.000 0.505 108 P HA 0.144 nan 4.420 nan 0.000 0.268 108 P C -0.569 176.735 177.300 0.007 0.000 1.204 108 P CA -0.177 62.929 63.100 0.010 0.000 0.768 108 P CB 0.631 32.329 31.700 -0.004 0.000 0.842 109 L N 5.271 126.508 121.223 0.023 0.000 2.276 109 L HA 0.279 4.619 4.340 -0.000 0.000 0.286 109 L C -0.218 176.657 176.870 0.010 0.000 1.061 109 L CA -0.818 54.044 54.840 0.038 0.000 0.807 109 L CB 0.401 42.524 42.059 0.106 0.000 1.177 109 L HN 0.436 nan 8.230 nan 0.000 0.429 110 C N 4.086 123.392 119.300 0.009 0.000 2.653 110 C HA 0.418 4.878 4.460 -0.000 0.000 0.421 110 C C 1.370 176.373 174.990 0.022 0.000 1.334 110 C CA 0.281 59.300 59.018 0.002 0.000 1.885 110 C CB -0.579 27.167 27.740 0.010 0.000 2.645 110 C HN 0.952 nan 8.230 nan 0.000 0.601 111 T N 1.500 116.057 114.554 0.004 0.000 3.374 111 T HA 0.475 4.825 4.350 -0.000 0.000 0.267 111 T C 0.949 175.668 174.700 0.032 0.000 0.996 111 T CA 0.401 62.518 62.100 0.030 0.000 0.977 111 T CB -0.021 68.848 68.868 0.001 0.000 1.149 111 T HN 1.951 nan 8.240 nan 0.000 0.517 112 G N 1.156 109.978 108.800 0.036 0.000 2.176 112 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 112 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 112 G C -0.168 174.724 174.900 -0.014 0.000 0.979 112 G CA 0.057 45.171 45.100 0.024 0.000 0.641 112 G HN 0.699 nan 8.290 nan 0.000 0.530 113 D N 0.453 120.842 120.400 -0.018 0.000 2.412 113 D HA 0.409 5.049 4.640 -0.000 0.000 0.276 113 D C -0.686 175.596 176.300 -0.030 0.000 1.196 113 D CA -1.444 52.539 54.000 -0.027 0.000 0.905 113 D CB 1.393 42.177 40.800 -0.027 0.000 1.081 113 D HN 0.138 nan 8.370 nan 0.000 0.502 114 P HA -0.104 nan 4.420 nan 0.000 0.219 114 P C 0.797 178.078 177.300 -0.031 0.000 1.146 114 P CA 0.702 63.784 63.100 -0.029 0.000 0.808 114 P CB 0.750 32.432 31.700 -0.030 0.000 0.779 115 D N 0.130 120.511 120.400 -0.030 0.000 2.097 115 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 115 D C 1.785 178.068 176.300 -0.029 0.000 0.989 115 D CA 1.302 55.285 54.000 -0.029 0.000 0.827 115 D CB -0.892 39.893 40.800 -0.026 0.000 0.966 115 D HN 0.192 nan 8.370 nan 0.000 0.456 116 D N -0.207 120.175 120.400 -0.030 0.000 2.104 116 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 116 D C 2.025 178.304 176.300 -0.035 0.000 0.994 116 D CA 0.503 54.483 54.000 -0.033 0.000 0.830 116 D CB -0.109 40.668 40.800 -0.039 0.000 0.959 116 D HN 0.007 nan 8.370 nan 0.000 0.452 117 L N -0.120 121.081 121.223 -0.036 0.000 2.046 117 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 117 L C 2.255 179.107 176.870 -0.030 0.000 1.077 117 L CA 1.306 56.126 54.840 -0.034 0.000 0.747 117 L CB -0.514 41.526 42.059 -0.031 0.000 0.896 117 L HN 0.034 nan 8.230 nan 0.000 0.432 118 V N -0.475 119.420 119.914 -0.031 0.000 2.295 118 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 118 V C 2.549 178.627 176.094 -0.027 0.000 1.049 118 V CA 2.020 64.301 62.300 -0.032 0.000 1.024 118 V CB -0.558 31.245 31.823 -0.035 0.000 0.648 118 V HN 0.422 nan 8.190 nan 0.000 0.447 119 L N -0.364 120.845 121.223 -0.025 0.000 2.046 119 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 119 L C 2.756 179.616 176.870 -0.018 0.000 1.077 119 L CA 1.997 56.824 54.840 -0.021 0.000 0.747 119 L CB -0.620 41.427 42.059 -0.020 0.000 0.896 119 L HN 0.291 nan 8.230 nan 0.000 0.432 120 R N 0.488 120.976 120.500 -0.020 0.000 2.081 120 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 120 R C 2.110 178.404 176.300 -0.010 0.000 1.131 120 R CA 1.405 57.495 56.100 -0.016 0.000 0.960 120 R CB -0.022 30.264 30.300 -0.022 0.000 0.856 120 R HN 0.353 nan 8.270 nan 0.000 0.436 121 L N -0.617 120.598 121.223 -0.013 0.000 2.408 121 L HA 0.202 4.541 4.340 -0.000 0.000 0.215 121 L C 2.535 179.398 176.870 -0.011 0.000 1.081 121 L CA 0.494 55.328 54.840 -0.009 0.000 0.840 121 L CB -0.328 41.724 42.059 -0.012 0.000 1.002 121 L HN 0.218 nan 8.230 nan 0.000 0.468 122 A N -0.218 122.592 122.820 -0.017 0.000 1.986 122 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 122 A C 0.891 178.468 177.584 -0.011 0.000 1.171 122 A CA 1.465 53.491 52.037 -0.019 0.000 0.640 122 A CB -0.313 18.674 19.000 -0.022 0.000 0.811 122 A HN 0.324 nan 8.150 nan 0.000 0.451 126 G N 0.857 109.669 108.800 0.019 0.000 2.568 126 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.222 126 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.222 126 G C -0.533 174.385 174.900 0.030 0.000 1.321 126 G CA -0.013 45.100 45.100 0.022 0.000 0.893 126 G HN 0.957 nan 8.290 nan 0.000 0.569 127 E N 0.717 120.935 120.200 0.030 0.000 2.376 127 E HA 0.375 4.725 4.350 -0.000 0.000 0.266 127 E C 0.005 176.634 176.600 0.048 0.000 1.009 127 E CA 0.139 56.562 56.400 0.038 0.000 0.902 127 E CB 0.157 29.868 29.700 0.018 0.000 0.972 127 E HN 0.376 nan 8.360 nan 0.000 0.439 128 K N 5.442 125.887 120.400 0.076 0.000 2.367 128 K HA 0.429 4.749 4.320 -0.000 0.000 0.263 128 K C -0.675 175.977 176.600 0.087 0.000 1.000 128 K CA -0.314 56.013 56.287 0.066 0.000 0.891 128 K CB 1.008 33.536 32.500 0.046 0.000 1.117 128 K HN 0.437 nan 8.250 nan 0.000 0.443 129 I N 2.100 122.702 120.570 0.053 0.000 2.533 129 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 129 I C -0.650 175.475 176.117 0.013 0.000 1.056 129 I CA -0.814 60.510 61.300 0.040 0.000 1.057 129 I CB 2.116 40.130 38.000 0.023 0.000 1.240 129 I HN 0.631 nan 8.210 nan 0.000 0.423 130 A N 4.734 127.550 122.820 -0.007 0.000 2.532 130 A HA 0.889 5.209 4.320 -0.000 0.000 0.290 130 A C -1.337 176.225 177.584 -0.036 0.000 1.143 130 A CA -0.681 51.347 52.037 -0.014 0.000 0.728 130 A CB 2.143 21.136 19.000 -0.013 0.000 1.317 130 A HN 0.566 nan 8.150 nan 0.000 0.414 131 K N 0.274 120.660 120.400 -0.024 0.000 2.345 131 K HA 0.662 4.982 4.320 -0.000 0.000 0.255 131 K C -1.847 174.749 176.600 -0.007 0.000 0.934 131 K CA -0.276 55.994 56.287 -0.028 0.000 0.801 131 K CB 1.639 34.131 32.500 -0.013 0.000 1.137 131 K HN 0.510 nan 8.250 nan 0.000 0.424 132 V N 4.933 124.844 119.914 -0.004 0.000 2.487 132 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 132 V C -0.504 175.597 176.094 0.012 0.000 1.028 132 V CA -1.071 61.242 62.300 0.020 0.000 0.860 132 V CB 1.704 33.555 31.823 0.046 0.000 0.991 132 V HN 0.654 nan 8.190 nan 0.000 0.427 133 K N 3.745 124.156 120.400 0.017 0.000 2.322 133 K HA 0.515 4.835 4.320 -0.000 0.000 0.283 133 K C -0.258 176.345 176.600 0.004 0.000 1.042 133 K CA 0.001 56.282 56.287 -0.009 0.000 0.958 133 K CB 1.739 34.239 32.500 0.001 0.000 0.984 133 K HN 0.670 nan 8.250 nan 0.000 0.473 134 V N -1.874 117.990 119.914 -0.083 0.000 3.113 134 V HA 0.839 4.959 4.120 -0.000 0.000 0.316 134 V C 0.832 176.792 176.094 -0.224 0.000 1.125 134 V CA -0.042 62.212 62.300 -0.077 0.000 1.026 134 V CB 1.424 33.173 31.823 -0.123 0.000 1.080 134 V HN 0.891 nan 8.190 nan 0.000 0.444 135 G N 0.538 109.282 108.800 -0.094 0.000 2.175 135 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 135 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 135 G C 0.301 175.166 174.900 -0.058 0.000 0.982 135 G CA 0.524 45.510 45.100 -0.189 0.000 0.641 135 G HN 0.923 nan 8.290 nan 0.000 0.527 136 L N -1.166 120.041 121.223 -0.027 0.000 2.130 136 L HA 0.355 4.695 4.340 -0.000 0.000 0.200 136 L C 1.807 178.578 176.870 -0.167 0.000 1.075 136 L CA 0.404 55.166 54.840 -0.131 0.000 0.768 136 L CB -0.297 41.641 42.059 -0.202 0.000 0.933 136 L HN 0.237 nan 8.230 nan 0.000 0.451 137 Y N 0.812 121.147 120.300 0.057 0.000 2.282 137 Y HA 0.094 4.644 4.550 -0.000 0.000 0.335 137 Y C 0.891 176.853 175.900 0.104 0.000 1.335 137 Y CA -1.203 56.936 58.100 0.066 0.000 1.529 137 Y CB 0.178 38.672 38.460 0.058 0.000 1.429 137 Y HN 0.090 nan 8.280 nan 0.000 0.563 138 E N 0.216 120.579 120.200 0.272 0.000 2.404 138 E HA 0.261 4.611 4.350 -0.000 0.000 0.261 138 E C 0.489 177.204 176.600 0.192 0.000 1.074 138 E CA 0.110 56.620 56.400 0.183 0.000 0.917 138 E CB 0.928 30.693 29.700 0.109 0.000 0.965 138 E HN 0.712 nan 8.360 nan 0.000 0.433 139 A N 3.151 126.063 122.820 0.153 0.000 1.940 139 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 139 A C 2.164 179.781 177.584 0.054 0.000 1.176 139 A CA 1.627 53.735 52.037 0.119 0.000 0.631 139 A CB -0.906 18.028 19.000 -0.110 0.000 0.814 139 A HN 0.582 nan 8.150 nan 0.000 0.446 140 V N 0.339 120.191 119.914 -0.103 0.000 2.407 140 V HA -0.220 3.899 4.120 -0.000 0.000 0.248 140 V C 2.547 178.430 176.094 -0.351 0.000 1.055 140 V CA 2.561 64.581 62.300 -0.466 0.000 1.049 140 V CB -0.706 30.786 31.823 -0.551 0.000 0.662 140 V HN 0.658 nan 8.190 nan 0.000 0.455 141 R N 0.159 120.584 120.500 -0.126 0.000 2.073 141 R HA -0.164 4.175 4.340 -0.000 0.000 0.234 141 R C 2.004 178.308 176.300 0.007 0.000 1.134 141 R CA 2.436 58.488 56.100 -0.081 0.000 0.952 141 R CB -1.091 29.181 30.300 -0.046 0.000 0.850 141 R HN 0.591 nan 8.270 nan 0.000 0.433 142 D N 0.015 120.510 120.400 0.158 0.000 2.123 142 D HA -0.071 4.569 4.640 -0.000 0.000 0.196 142 D C 1.082 177.607 176.300 0.376 0.000 0.992 142 D CA 1.324 55.517 54.000 0.320 0.000 0.833 142 D CB -0.763 40.337 40.800 0.500 0.000 0.954 142 D HN 0.383 nan 8.370 nan 0.000 0.455 146 V N 1.517 121.497 119.914 0.110 0.000 2.343 146 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 146 V C 2.188 178.317 176.094 0.059 0.000 1.051 146 V CA 2.932 65.304 62.300 0.121 0.000 1.036 146 V CB -0.732 31.246 31.823 0.259 0.000 0.654 146 V HN 0.681 nan 8.190 nan 0.000 0.451 147 N N -0.030 118.708 118.700 0.063 0.000 2.084 147 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 147 N C 1.765 177.292 175.510 0.029 0.000 1.030 147 N CA 1.387 54.494 53.050 0.095 0.000 0.849 147 N CB -0.025 38.535 38.487 0.120 0.000 1.012 147 N HN 0.282 nan 8.380 nan 0.000 0.423 148 L N 1.405 122.636 121.223 0.013 0.000 2.141 148 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 148 L C 2.326 179.156 176.870 -0.067 0.000 1.094 148 L CA 0.887 55.716 54.840 -0.019 0.000 0.763 148 L CB -0.778 41.275 42.059 -0.010 0.000 0.908 148 L HN 0.223 nan 8.230 nan 0.000 0.437 149 L N -1.549 119.636 121.223 -0.064 0.000 2.027 149 L HA -0.206 4.133 4.340 -0.000 0.000 0.206 149 L C 2.385 179.160 176.870 -0.157 0.000 1.074 149 L CA 1.064 55.854 54.840 -0.084 0.000 0.745 149 L CB -0.434 41.595 42.059 -0.050 0.000 0.898 149 L HN 0.224 nan 8.230 nan 0.000 0.433 150 L N -0.532 120.558 121.223 -0.222 0.000 2.093 150 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 150 L C 2.577 179.066 176.870 -0.636 0.000 1.085 150 L CA 1.146 55.743 54.840 -0.406 0.000 0.755 150 L CB -0.432 41.368 42.059 -0.431 0.000 0.904 150 L HN 0.333 nan 8.230 nan 0.000 0.435 151 E N 0.483 120.327 120.200 -0.594 0.000 2.072 151 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 151 E C 2.240 178.711 176.600 -0.215 0.000 0.985 151 E CA 1.087 57.225 56.400 -0.436 0.000 0.801 151 E CB 0.038 29.664 29.700 -0.123 0.000 0.750 151 E HN 0.442 nan 8.360 nan 0.000 0.452 152 A N 0.817 123.542 122.820 -0.158 0.000 1.930 152 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 152 A C 1.260 178.785 177.584 -0.099 0.000 1.175 152 A CA 0.825 52.803 52.037 -0.098 0.000 0.627 152 A CB -0.076 18.880 19.000 -0.074 0.000 0.815 152 A HN 0.264 nan 8.150 nan 0.000 0.443 153 I N -0.579 119.913 120.570 -0.130 0.000 2.466 153 I HA 0.227 4.396 4.170 -0.000 0.000 0.279 153 I C -2.166 173.862 176.117 -0.148 0.000 1.033 153 I CA -1.858 59.376 61.300 -0.110 0.000 1.123 153 I CB 2.207 40.154 38.000 -0.088 0.000 1.237 153 I HN -0.026 nan 8.210 nan 0.000 0.460 154 P HA -0.160 nan 4.420 nan 0.000 0.219 154 P C 0.527 177.752 177.300 -0.124 0.000 1.146 154 P CA 1.284 64.312 63.100 -0.119 0.000 0.808 154 P CB 0.043 31.708 31.700 -0.058 0.000 0.779 155 D N -2.037 118.303 120.400 -0.100 0.000 2.402 155 D HA 0.063 4.702 4.640 -0.000 0.000 0.216 155 D C 0.341 176.568 176.300 -0.122 0.000 1.128 155 D CA -0.421 53.529 54.000 -0.083 0.000 0.833 155 D CB -0.701 40.103 40.800 0.008 0.000 0.971 155 D HN 0.076 nan 8.370 nan 0.000 0.503 156 L N 1.397 122.512 121.223 -0.180 0.000 2.380 156 L HA 0.342 4.681 4.340 -0.000 0.000 0.273 156 L C -1.089 175.593 176.870 -0.313 0.000 1.138 156 L CA -0.044 54.709 54.840 -0.144 0.000 0.832 156 L CB 0.627 42.615 42.059 -0.118 0.000 1.124 156 L HN -0.053 nan 8.230 nan 0.000 0.454 157 H N 4.762 123.808 119.070 -0.041 0.000 2.489 157 H HA 0.595 5.150 4.556 -0.001 0.000 0.343 157 H C -0.918 174.366 175.328 -0.072 0.000 1.086 157 H CA -0.454 55.566 56.048 -0.046 0.000 1.198 157 H CB 1.460 31.199 29.762 -0.038 0.000 1.490 157 H HN 0.548 nan 8.280 nan 0.000 0.504 158 L N 3.447 124.673 121.223 0.005 0.000 2.322 158 L HA 0.535 4.874 4.340 -0.000 0.000 0.281 158 L C -0.024 176.748 176.870 -0.164 0.000 1.014 158 L CA -0.728 54.081 54.840 -0.053 0.000 0.815 158 L CB 1.503 43.553 42.059 -0.015 0.000 1.247 158 L HN 0.485 nan 8.230 nan 0.000 0.421 159 R N 3.936 124.280 120.500 -0.260 0.000 2.312 159 R HA 0.667 5.007 4.340 -0.000 0.000 0.311 159 R C -1.119 175.063 176.300 -0.198 0.000 1.004 159 R CA -0.521 55.283 56.100 -0.493 0.000 0.902 159 R CB 1.225 31.184 30.300 -0.569 0.000 1.073 159 R HN 0.467 nan 8.270 nan 0.000 0.457 160 L N 1.771 122.920 121.223 -0.123 0.000 2.346 160 L HA 0.442 4.782 4.340 -0.000 0.000 0.274 160 L C -0.692 176.169 176.870 -0.015 0.000 1.007 160 L CA -0.920 53.903 54.840 -0.028 0.000 0.818 160 L CB 2.037 44.110 42.059 0.024 0.000 1.284 160 L HN 0.499 nan 8.230 nan 0.000 0.424 161 D N 1.189 121.552 120.400 -0.062 0.000 2.542 161 D HA 0.518 5.158 4.640 -0.000 0.000 0.252 161 D C 0.045 176.221 176.300 -0.207 0.000 1.222 161 D CA -0.317 53.636 54.000 -0.079 0.000 0.895 161 D CB 2.234 43.017 40.800 -0.030 0.000 1.207 161 D HN 0.566 nan 8.370 nan 0.000 0.558 162 A N 3.628 126.254 122.820 -0.323 0.000 2.197 162 A HA 0.135 4.454 4.320 -0.000 0.000 0.210 162 A C 0.803 178.155 177.584 -0.386 0.000 1.180 162 A CA -0.071 51.631 52.037 -0.559 0.000 0.846 162 A CB -0.152 18.247 19.000 -1.002 0.000 0.884 162 A HN 0.654 nan 8.150 nan 0.000 0.487 163 N N 0.347 118.921 118.700 -0.211 0.000 2.714 163 N HA -0.195 4.545 4.740 -0.000 0.000 0.252 163 N C -0.428 174.989 175.510 -0.155 0.000 1.014 163 N CA 1.195 54.176 53.050 -0.114 0.000 0.735 163 N CB -1.230 37.232 38.487 -0.042 0.000 0.924 163 N HN 0.704 nan 8.380 nan 0.000 0.540 164 R N -3.227 117.164 120.500 -0.182 0.000 3.525 164 R HA -0.276 4.064 4.340 -0.000 0.000 0.276 164 R C 1.175 177.364 176.300 -0.185 0.000 1.116 164 R CA 0.821 56.835 56.100 -0.144 0.000 0.745 164 R CB -2.007 28.253 30.300 -0.068 0.000 1.185 164 R HN 0.512 nan 8.270 nan 0.000 0.454 165 A N -0.311 122.292 122.820 -0.361 0.000 1.970 165 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 165 A C 0.530 178.035 177.584 -0.131 0.000 1.170 165 A CA 0.690 52.521 52.037 -0.343 0.000 0.645 165 A CB 0.081 18.720 19.000 -0.602 0.000 0.816 165 A HN 0.388 nan 8.150 nan 0.000 0.447 166 W N 0.755 122.007 121.300 -0.079 0.000 2.512 166 W HA 0.476 5.136 4.660 -0.001 0.000 0.335 166 W C 0.424 176.920 176.519 -0.039 0.000 1.088 166 W CA -0.654 56.652 57.345 -0.065 0.000 1.236 166 W CB 0.301 29.695 29.460 -0.109 0.000 1.307 166 W HN 0.192 nan 8.180 nan 0.000 0.567 167 T N -0.762 113.931 114.554 0.232 0.000 2.788 167 T HA 0.186 4.536 4.350 -0.000 0.000 0.287 167 T C -1.710 173.068 174.700 0.131 0.000 1.007 167 T CA -1.185 60.998 62.100 0.137 0.000 1.005 167 T CB 1.252 70.178 68.868 0.096 0.000 1.012 167 T HN 0.036 nan 8.240 nan 0.000 0.530 168 P HA -0.060 nan 4.420 nan 0.000 0.216 168 P C 1.701 179.055 177.300 0.089 0.000 1.150 168 P CA 0.325 63.494 63.100 0.116 0.000 0.837 168 P CB -0.083 31.681 31.700 0.107 0.000 0.786 169 L N -0.145 121.114 121.223 0.060 0.000 1.994 169 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 169 L C 1.928 178.789 176.870 -0.014 0.000 1.071 169 L CA 2.133 56.993 54.840 0.033 0.000 0.745 169 L CB -1.154 40.924 42.059 0.031 0.000 0.892 169 L HN -0.220 nan 8.230 nan 0.000 0.431 170 K N 0.075 120.448 120.400 -0.045 0.000 2.097 170 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 170 K C 2.127 178.410 176.600 -0.528 0.000 1.049 170 K CA 1.331 57.490 56.287 -0.214 0.000 0.933 170 K CB -0.831 31.586 32.500 -0.138 0.000 0.717 170 K HN 0.500 nan 8.250 nan 0.000 0.442 171 A N 1.574 124.172 122.820 -0.369 0.000 1.902 171 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 171 A C 2.156 179.750 177.584 0.017 0.000 1.181 171 A CA 1.251 53.049 52.037 -0.398 0.000 0.623 171 A CB -0.267 18.657 19.000 -0.127 0.000 0.818 171 A HN 0.217 nan 8.150 nan 0.000 0.443 172 Q N -0.248 119.612 119.800 0.100 0.000 2.119 172 Q HA -0.181 4.158 4.340 -0.000 0.000 0.201 172 Q C 2.154 178.180 176.000 0.044 0.000 0.972 172 Q CA 1.643 57.521 55.803 0.125 0.000 0.847 172 Q CB -0.442 28.345 28.738 0.083 0.000 0.903 172 Q HN 0.823 nan 8.270 nan 0.000 0.433 173 Q N -0.489 119.306 119.800 -0.007 0.000 2.084 173 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 173 Q C 1.904 177.959 176.000 0.092 0.000 0.978 173 Q CA 1.218 57.042 55.803 0.034 0.000 0.844 173 Q CB -0.271 28.477 28.738 0.017 0.000 0.898 173 Q HN 0.331 nan 8.270 nan 0.000 0.426 174 F N 1.262 121.076 119.950 -0.226 0.000 2.095 174 F HA -0.207 4.320 4.527 0.000 0.000 0.298 174 F C 2.134 177.962 175.800 0.046 0.000 1.104 174 F CA 1.525 59.410 58.000 -0.193 0.000 1.232 174 F CB -0.446 38.148 39.000 -0.676 0.000 0.987 174 F HN -0.013 nan 8.300 nan 0.000 0.475 175 A N 1.377 124.153 122.820 -0.073 0.000 1.933 175 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 175 A C 2.247 179.715 177.584 -0.192 0.000 1.175 175 A CA 1.972 53.925 52.037 -0.140 0.000 0.628 175 A CB -1.009 18.067 19.000 0.127 0.000 0.814 175 A HN 0.657 nan 8.150 nan 0.000 0.444 176 K N -1.716 118.595 120.400 -0.147 0.000 2.280 176 K HA -0.158 4.162 4.320 -0.000 0.000 0.202 176 K C 1.258 177.625 176.600 -0.389 0.000 1.047 176 K CA 1.693 57.825 56.287 -0.258 0.000 0.942 176 K CB -0.475 31.850 32.500 -0.293 0.000 0.739 176 K HN 0.507 nan 8.250 nan 0.000 0.457 177 Y N 1.257 121.434 120.300 -0.205 0.000 2.511 177 Y HA 0.127 4.677 4.550 0.000 0.000 0.279 177 Y C 0.364 176.154 175.900 -0.184 0.000 1.157 177 Y CA -0.345 57.651 58.100 -0.173 0.000 1.300 177 Y CB 0.740 39.109 38.460 -0.153 0.000 1.052 177 Y HN -0.192 nan 8.280 nan 0.000 0.529 178 V N 1.896 121.718 119.914 -0.153 0.000 2.348 178 V HA 0.061 4.181 4.120 -0.000 0.000 0.270 178 V C 0.153 176.189 176.094 -0.096 0.000 1.037 178 V CA -1.294 60.939 62.300 -0.111 0.000 0.872 178 V CB 0.540 32.250 31.823 -0.189 0.000 1.002 178 V HN 0.241 nan 8.190 nan 0.000 0.464 179 N N 7.409 126.059 118.700 -0.083 0.000 2.359 179 N HA 0.009 4.749 4.740 -0.000 0.000 0.261 179 N C -1.557 173.816 175.510 -0.229 0.000 1.267 179 N CA -1.062 51.841 53.050 -0.245 0.000 0.864 179 N CB 1.605 39.755 38.487 -0.561 0.000 1.063 179 N HN 0.276 nan 8.380 nan 0.000 0.474 180 P HA -0.102 nan 4.420 nan 0.000 0.217 180 P C 0.379 177.598 177.300 -0.134 0.000 1.148 180 P CA 1.075 64.093 63.100 -0.136 0.000 0.828 180 P CB 0.278 31.903 31.700 -0.125 0.000 0.783 181 D N -2.236 118.019 120.400 -0.241 0.000 2.263 181 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 181 D C 1.098 177.367 176.300 -0.051 0.000 0.971 181 D CA 1.188 55.066 54.000 -0.202 0.000 0.867 181 D CB -0.411 40.194 40.800 -0.325 0.000 0.929 181 D HN 0.310 nan 8.370 nan 0.000 0.492 182 Y N -0.081 120.198 120.300 -0.034 0.000 2.458 182 Y HA 0.263 4.812 4.550 -0.001 0.000 0.254 182 Y C 2.005 177.894 175.900 -0.019 0.000 1.120 182 Y CA -0.462 57.617 58.100 -0.034 0.000 1.282 182 Y CB -0.170 38.267 38.460 -0.038 0.000 1.109 182 Y HN -0.131 nan 8.280 nan 0.000 0.526 183 R N 0.413 120.981 120.500 0.113 0.000 2.127 183 R HA -0.126 4.213 4.340 -0.000 0.000 0.238 183 R C 2.290 178.645 176.300 0.091 0.000 1.134 183 R CA 1.149 57.302 56.100 0.088 0.000 0.975 183 R CB -0.394 29.926 30.300 0.033 0.000 0.865 183 R HN 0.267 nan 8.270 nan 0.000 0.447 184 A N 1.031 123.899 122.820 0.081 0.000 2.070 184 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 184 A C 1.740 179.396 177.584 0.120 0.000 1.159 184 A CA 1.023 53.114 52.037 0.089 0.000 0.656 184 A CB -0.211 18.835 19.000 0.077 0.000 0.800 184 A HN 0.209 nan 8.150 nan 0.000 0.453 185 R N -0.728 119.825 120.500 0.088 0.000 2.334 185 R HA 0.273 4.613 4.340 -0.000 0.000 0.220 185 R C -0.510 175.831 176.300 0.069 0.000 0.917 185 R CA -0.097 56.024 56.100 0.034 0.000 1.073 185 R CB -0.021 30.162 30.300 -0.196 0.000 1.056 185 R HN 0.444 nan 8.270 nan 0.000 0.506 186 I N 1.284 121.915 120.570 0.103 0.000 2.347 186 I HA 0.027 4.197 4.170 -0.000 0.000 0.294 186 I C 1.445 177.617 176.117 0.092 0.000 1.090 186 I CA -0.244 61.115 61.300 0.098 0.000 1.314 186 I CB 1.455 39.551 38.000 0.160 0.000 1.423 186 I HN 0.127 nan 8.210 nan 0.000 0.503 187 A N 7.903 130.730 122.820 0.012 0.000 1.908 187 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 187 A C 0.571 178.210 177.584 0.092 0.000 1.181 187 A CA 1.547 53.578 52.037 -0.009 0.000 0.627 187 A CB -0.186 18.702 19.000 -0.186 0.000 0.818 187 A HN 0.746 nan 8.150 nan 0.000 0.445 188 F N -5.242 114.753 119.950 0.076 0.000 2.746 188 F HA 0.581 5.107 4.527 -0.001 0.000 0.311 188 F C -1.345 174.491 175.800 0.059 0.000 1.135 188 F CA -1.374 56.657 58.000 0.051 0.000 0.954 188 F CB 0.866 39.869 39.000 0.004 0.000 1.276 188 F HN -0.039 nan 8.300 nan 0.000 0.440 189 L N 2.661 124.080 121.223 0.326 0.000 2.294 189 L HA 0.499 4.839 4.340 -0.000 0.000 0.283 189 L C -0.614 176.345 176.870 0.148 0.000 1.015 189 L CA -0.404 54.561 54.840 0.208 0.000 0.831 189 L CB 1.349 43.543 42.059 0.226 0.000 1.217 189 L HN 0.761 nan 8.230 nan 0.000 0.420 190 E N 5.531 125.820 120.200 0.148 0.000 2.299 190 E HA 0.041 4.391 4.350 -0.000 0.000 0.272 190 E C -0.408 176.160 176.600 -0.053 0.000 1.043 190 E CA -0.187 56.239 56.400 0.043 0.000 0.895 190 E CB 0.354 30.099 29.700 0.074 0.000 1.011 190 E HN 0.425 nan 8.360 nan 0.000 0.432 191 E N 2.385 122.562 120.200 -0.039 0.000 2.222 191 E HA -0.187 4.163 4.350 -0.000 0.000 0.189 191 E C -1.851 174.679 176.600 -0.118 0.000 1.415 191 E CA 0.128 56.535 56.400 0.011 0.000 0.689 191 E CB -0.749 28.980 29.700 0.050 0.000 1.107 191 E HN 0.541 nan 8.360 nan 0.000 0.350 192 P HA -0.146 nan 4.420 nan 0.000 0.215 192 P C 0.786 177.999 177.300 -0.146 0.000 1.153 192 P CA 1.072 64.007 63.100 -0.275 0.000 0.853 192 P CB 0.274 31.739 31.700 -0.392 0.000 0.788 193 C N -0.583 118.703 119.300 -0.023 0.000 2.401 193 C HA 0.326 4.786 4.460 -0.000 0.000 0.356 193 C C 2.163 177.179 174.990 0.045 0.000 1.192 193 C CA -0.637 58.414 59.018 0.055 0.000 2.028 193 C CB 1.520 29.321 27.740 0.101 0.000 2.344 193 C HN 0.132 nan 8.230 nan 0.000 0.525 194 K N 0.202 120.632 120.400 0.050 0.000 2.147 194 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 194 K C 0.879 177.500 176.600 0.035 0.000 1.049 194 K CA 1.365 57.668 56.287 0.026 0.000 0.936 194 K CB -0.171 32.345 32.500 0.027 0.000 0.722 194 K HN 0.906 nan 8.250 nan 0.000 0.446 195 T N -2.548 112.043 114.554 0.061 0.000 2.912 195 T HA 0.326 4.676 4.350 -0.000 0.000 0.288 195 T C 0.682 175.451 174.700 0.114 0.000 1.030 195 T CA -1.005 61.131 62.100 0.060 0.000 1.020 195 T CB 2.361 71.259 68.868 0.050 0.000 1.056 195 T HN -0.048 nan 8.240 nan 0.000 0.480 196 R N 0.657 121.210 120.500 0.088 0.000 2.081 196 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 196 R C 1.454 177.899 176.300 0.242 0.000 1.131 196 R CA 1.611 57.810 56.100 0.164 0.000 0.960 196 R CB -0.323 29.880 30.300 -0.161 0.000 0.856 196 R HN 0.665 nan 8.270 nan 0.000 0.436 197 D N 0.622 121.102 120.400 0.133 0.000 2.144 197 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 197 D C 1.401 177.798 176.300 0.162 0.000 0.984 197 D CA 1.162 55.243 54.000 0.135 0.000 0.834 197 D CB -0.224 40.623 40.800 0.079 0.000 0.955 197 D HN 0.158 nan 8.370 nan 0.000 0.465 198 D N -0.264 120.229 120.400 0.155 0.000 2.149 198 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 198 D C 2.049 178.485 176.300 0.226 0.000 0.972 198 D CA 0.551 54.652 54.000 0.168 0.000 0.835 198 D CB -0.086 40.796 40.800 0.136 0.000 0.966 198 D HN 0.032 nan 8.370 nan 0.000 0.476 199 S N 0.540 116.387 115.700 0.245 0.000 2.368 199 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 199 S C 1.937 176.716 174.600 0.298 0.000 1.030 199 S CA 0.771 59.129 58.200 0.264 0.000 0.999 199 S CB 0.070 63.438 63.200 0.279 0.000 0.844 199 S HN 0.251 nan 8.310 nan 0.000 0.459 200 R N 1.032 121.712 120.500 0.300 0.000 2.081 200 R HA 0.001 4.341 4.340 -0.000 0.000 0.235 200 R C 2.600 179.013 176.300 0.190 0.000 1.131 200 R CA 1.226 57.468 56.100 0.237 0.000 0.960 200 R CB -0.503 29.952 30.300 0.259 0.000 0.856 200 R HN 0.400 nan 8.270 nan 0.000 0.436 201 A N 0.956 123.891 122.820 0.191 0.000 1.902 201 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 201 A C 1.967 179.651 177.584 0.168 0.000 1.181 201 A CA 1.242 53.370 52.037 0.152 0.000 0.623 201 A CB -0.672 18.412 19.000 0.140 0.000 0.818 201 A HN 0.417 nan 8.150 nan 0.000 0.443 202 F N 1.115 121.120 119.950 0.092 0.000 2.095 202 F HA -0.095 4.433 4.527 0.001 0.000 0.298 202 F C 2.451 178.302 175.800 0.086 0.000 1.104 202 F CA 1.409 59.467 58.000 0.097 0.000 1.232 202 F CB -0.461 38.619 39.000 0.134 0.000 0.987 202 F HN 0.248 nan 8.300 nan 0.000 0.475 203 A N 0.976 123.865 122.820 0.115 0.000 1.877 203 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 203 A C 2.347 179.880 177.584 -0.085 0.000 1.186 203 A CA 1.849 53.873 52.037 -0.021 0.000 0.620 203 A CB -0.773 18.281 19.000 0.090 0.000 0.822 203 A HN 0.499 nan 8.150 nan 0.000 0.443 204 R N -0.965 119.524 120.500 -0.018 0.000 2.092 204 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 204 R C 2.254 178.520 176.300 -0.056 0.000 1.119 204 R CA 1.448 57.537 56.100 -0.019 0.000 0.970 204 R CB -0.227 30.085 30.300 0.019 0.000 0.864 204 R HN 0.634 nan 8.270 nan 0.000 0.440 205 E N 0.503 120.656 120.200 -0.078 0.000 2.047 205 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 205 E C 1.807 178.316 176.600 -0.152 0.000 0.987 205 E CA 2.078 58.423 56.400 -0.091 0.000 0.799 205 E CB -0.039 29.624 29.700 -0.061 0.000 0.752 205 E HN 0.345 nan 8.360 nan 0.000 0.449 206 T N -3.882 110.501 114.554 -0.285 0.000 3.057 206 T HA 0.240 4.590 4.350 -0.000 0.000 0.254 206 T C 1.600 176.176 174.700 -0.206 0.000 1.094 206 T CA 0.628 62.544 62.100 -0.307 0.000 1.088 206 T CB 0.023 68.535 68.868 -0.594 0.000 0.934 206 T HN 0.378 nan 8.240 nan 0.000 0.497 207 G N 1.489 110.186 108.800 -0.171 0.000 2.148 207 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.254 207 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.254 207 G C 0.008 174.873 174.900 -0.057 0.000 0.981 207 G CA 0.180 45.228 45.100 -0.087 0.000 0.670 207 G HN 0.669 nan 8.290 nan 0.000 0.528 208 I N 1.614 122.122 120.570 -0.104 0.000 2.325 208 I HA 0.529 4.699 4.170 -0.000 0.000 0.291 208 I C 1.091 177.264 176.117 0.094 0.000 1.019 208 I CA -0.321 60.997 61.300 0.030 0.000 1.302 208 I CB 1.433 39.500 38.000 0.112 0.000 1.401 208 I HN 0.292 nan 8.210 nan 0.000 0.485 209 A N 7.909 130.805 122.820 0.126 0.000 2.462 209 A HA 0.538 4.858 4.320 -0.000 0.000 0.243 209 A C -0.127 177.555 177.584 0.165 0.000 1.076 209 A CA -0.123 51.989 52.037 0.124 0.000 0.773 209 A CB 0.166 19.248 19.000 0.136 0.000 1.010 209 A HN 0.762 nan 8.150 nan 0.000 0.493 210 I N -1.594 119.008 120.570 0.054 0.000 3.067 210 I HA 0.929 5.099 4.170 -0.000 0.000 0.312 210 I C -0.115 175.855 176.117 -0.246 0.000 1.073 210 I CA -1.098 60.172 61.300 -0.048 0.000 1.016 210 I CB 2.360 40.266 38.000 -0.157 0.000 1.227 210 I HN 0.706 nan 8.210 nan 0.000 0.456 211 A N 2.338 124.951 122.820 -0.345 0.000 2.498 211 A HA 0.720 5.040 4.320 -0.000 0.000 0.298 211 A C -1.980 175.336 177.584 -0.447 0.000 1.075 211 A CA -0.597 51.139 52.037 -0.501 0.000 0.714 211 A CB 0.857 19.453 19.000 -0.673 0.000 1.299 211 A HN 0.826 nan 8.150 nan 0.000 0.407 212 W N 0.741 121.983 121.300 -0.098 0.000 2.438 212 W HA 0.545 5.206 4.660 0.001 0.000 0.324 212 W C 0.403 176.819 176.519 -0.173 0.000 1.119 212 W CA -0.075 57.210 57.345 -0.100 0.000 1.221 212 W CB 1.562 30.985 29.460 -0.061 0.000 1.253 212 W HN 0.950 nan 8.180 nan 0.000 0.555 213 D N -0.056 120.410 120.400 0.110 0.000 2.912 213 D HA -0.138 4.502 4.640 -0.000 0.000 0.170 213 D C 1.785 178.048 176.300 -0.060 0.000 1.484 213 D CA 0.510 54.501 54.000 -0.016 0.000 1.542 213 D CB -0.326 40.473 40.800 -0.001 0.000 1.344 213 D HN 0.538 nan 8.370 nan 0.000 0.222 214 E N 0.662 120.856 120.200 -0.010 0.000 2.204 214 E HA -0.078 4.271 4.350 -0.000 0.000 0.195 214 E C 1.682 178.208 176.600 -0.122 0.000 0.990 214 E CA 1.263 57.641 56.400 -0.037 0.000 0.821 214 E CB -0.168 29.537 29.700 0.008 0.000 0.750 214 E HN 0.054 nan 8.360 nan 0.000 0.477 215 S N 1.056 116.672 115.700 -0.139 0.000 2.387 215 S HA -0.144 4.326 4.470 -0.000 0.000 0.230 215 S C 1.754 176.041 174.600 -0.522 0.000 1.035 215 S CA 1.180 59.224 58.200 -0.260 0.000 1.014 215 S CB -0.242 62.756 63.200 -0.337 0.000 0.836 215 S HN 0.165 nan 8.310 nan 0.000 0.466 216 L N 0.739 121.476 121.223 -0.811 0.000 2.261 216 L HA -0.026 4.314 4.340 -0.000 0.000 0.216 216 L C 2.119 178.694 176.870 -0.491 0.000 1.114 216 L CA 1.493 55.658 54.840 -1.125 0.000 0.777 216 L CB -0.423 41.155 42.059 -0.802 0.000 0.910 216 L HN 0.085 nan 8.230 nan 0.000 0.440 217 R N -0.844 119.488 120.500 -0.281 0.000 2.317 217 R HA 0.124 4.464 4.340 -0.000 0.000 0.208 217 R C 0.206 176.449 176.300 -0.095 0.000 0.914 217 R CA -0.005 56.010 56.100 -0.141 0.000 1.060 217 R CB 0.008 30.254 30.300 -0.090 0.000 1.015 217 R HN 0.377 nan 8.270 nan 0.000 0.498 218 E N -0.252 119.887 120.200 -0.103 0.000 2.343 218 E HA 0.180 4.530 4.350 -0.000 0.000 0.269 218 E C 0.673 177.263 176.600 -0.016 0.000 1.047 218 E CA 0.084 56.451 56.400 -0.055 0.000 0.874 218 E CB 1.148 30.811 29.700 -0.062 0.000 1.033 218 E HN 0.147 nan 8.360 nan 0.000 0.409 219 A N 3.166 125.975 122.820 -0.018 0.000 1.940 219 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 219 A C 1.522 179.104 177.584 -0.004 0.000 1.176 219 A CA 2.118 54.150 52.037 -0.008 0.000 0.631 219 A CB -0.490 18.502 19.000 -0.014 0.000 0.814 219 A HN 0.734 nan 8.150 nan 0.000 0.446 220 D N -1.728 118.660 120.400 -0.020 0.000 2.363 220 D HA -0.007 4.633 4.640 -0.000 0.000 0.220 220 D C 0.492 176.749 176.300 -0.072 0.000 0.994 220 D CA -0.322 53.650 54.000 -0.048 0.000 0.890 220 D CB -0.694 40.064 40.800 -0.070 0.000 0.906 220 D HN 0.322 nan 8.370 nan 0.000 0.530 221 F N 2.701 122.543 119.950 -0.180 0.000 2.602 221 F HA 0.208 4.734 4.527 -0.001 0.000 0.385 221 F C 0.422 176.081 175.800 -0.235 0.000 1.063 221 F CA 0.173 58.014 58.000 -0.264 0.000 1.233 221 F CB 0.490 39.291 39.000 -0.331 0.000 1.067 221 F HN -0.086 nan 8.300 nan 0.000 0.564 222 T N 3.555 117.415 114.554 -1.156 0.000 2.861 222 T HA 0.482 4.832 4.350 -0.000 0.000 0.287 222 T C -0.694 173.350 174.700 -1.095 0.000 1.003 222 T CA -0.760 60.888 62.100 -0.753 0.000 0.977 222 T CB 0.707 69.346 68.868 -0.382 0.000 0.996 222 T HN 0.303 nan 8.240 nan 0.000 0.448 223 F N 1.949 121.648 119.950 -0.417 0.000 2.506 223 F HA 0.446 4.973 4.527 -0.001 0.000 0.371 223 F C 1.205 176.928 175.800 -0.128 0.000 1.078 223 F CA 0.149 58.053 58.000 -0.160 0.000 1.195 223 F CB 0.509 39.543 39.000 0.057 0.000 1.099 223 F HN 0.609 nan 8.300 nan 0.000 0.548 224 E N 1.469 121.701 120.200 0.054 0.000 2.366 224 E HA 0.605 4.955 4.350 -0.000 0.000 0.278 224 E C -1.250 175.429 176.600 0.131 0.000 0.923 224 E CA -1.200 55.236 56.400 0.060 0.000 0.761 224 E CB 2.167 31.852 29.700 -0.025 0.000 1.231 224 E HN 0.567 nan 8.360 nan 0.000 0.443 225 A N 2.836 125.721 122.820 0.109 0.000 2.328 225 A HA 0.472 4.792 4.320 -0.000 0.000 0.284 225 A C -0.335 177.309 177.584 0.100 0.000 1.160 225 A CA -0.091 52.011 52.037 0.110 0.000 0.818 225 A CB 0.269 19.319 19.000 0.083 0.000 1.087 225 A HN 0.620 nan 8.150 nan 0.000 0.504 226 E N 1.699 121.967 120.200 0.114 0.000 2.412 226 E HA 0.342 4.692 4.350 -0.000 0.000 0.279 226 E C -0.849 175.804 176.600 0.088 0.000 0.984 226 E CA -0.932 55.530 56.400 0.104 0.000 0.788 226 E CB 0.857 30.638 29.700 0.134 0.000 1.277 226 E HN 0.638 nan 8.360 nan 0.000 0.455 227 E N 0.330 120.574 120.200 0.072 0.000 2.480 227 E HA 0.135 4.485 4.350 -0.000 0.000 0.258 227 E C 0.747 177.378 176.600 0.051 0.000 0.984 227 E CA 1.603 58.036 56.400 0.054 0.000 0.930 227 E CB -0.054 29.674 29.700 0.046 0.000 0.936 227 E HN 0.844 nan 8.360 nan 0.000 0.466 228 G N 2.818 111.639 108.800 0.035 0.000 2.225 228 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 228 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 228 G C 0.104 174.998 174.900 -0.010 0.000 0.988 228 G CA 0.133 45.246 45.100 0.021 0.000 0.625 228 G HN 0.537 nan 8.290 nan 0.000 0.527 229 V N 1.364 121.266 119.914 -0.020 0.000 2.385 229 V HA 0.488 4.608 4.120 -0.000 0.000 0.269 229 V C 1.358 177.429 176.094 -0.038 0.000 1.043 229 V CA 0.064 62.302 62.300 -0.104 0.000 0.906 229 V CB 1.286 33.063 31.823 -0.077 0.000 0.995 229 V HN 0.384 nan 8.190 nan 0.000 0.467 230 R N 2.726 123.193 120.500 -0.055 0.000 2.250 230 R HA 0.570 4.910 4.340 -0.000 0.000 0.194 230 R C 0.444 176.729 176.300 -0.024 0.000 0.927 230 R CA 0.666 56.771 56.100 0.009 0.000 1.052 230 R CB 0.917 31.269 30.300 0.087 0.000 1.055 230 R HN 0.749 nan 8.270 nan 0.000 0.537 231 A N 0.396 123.123 122.820 -0.156 0.000 2.602 231 A HA 0.583 4.902 4.320 -0.000 0.000 0.290 231 A C -1.241 176.203 177.584 -0.233 0.000 1.114 231 A CA -0.675 51.222 52.037 -0.233 0.000 0.683 231 A CB 1.540 20.190 19.000 -0.583 0.000 1.281 231 A HN -0.035 nan 8.150 nan 0.000 0.416 232 V N -1.625 118.208 119.914 -0.135 0.000 2.823 232 V HA 0.884 5.004 4.120 -0.000 0.000 0.312 232 V C -0.851 175.165 176.094 -0.130 0.000 1.072 232 V CA -0.793 61.480 62.300 -0.045 0.000 0.937 232 V CB 1.445 33.380 31.823 0.186 0.000 1.013 232 V HN 0.889 nan 8.190 nan 0.000 0.430 233 V N 5.098 124.940 119.914 -0.121 0.000 2.357 233 V HA 0.521 4.641 4.120 -0.000 0.000 0.284 233 V C -0.162 175.883 176.094 -0.082 0.000 1.018 233 V CA -0.244 61.994 62.300 -0.104 0.000 0.841 233 V CB 1.252 33.018 31.823 -0.095 0.000 0.991 233 V HN 0.800 nan 8.190 nan 0.000 0.437 234 I N 5.305 125.831 120.570 -0.073 0.000 2.354 234 I HA 0.393 4.562 4.170 -0.000 0.000 0.286 234 I C 0.179 176.228 176.117 -0.114 0.000 1.007 234 I CA -0.373 60.876 61.300 -0.086 0.000 1.167 234 I CB 1.188 39.146 38.000 -0.070 0.000 1.320 234 I HN 0.467 nan 8.210 nan 0.000 0.458 235 K N 7.902 128.216 120.400 -0.142 0.000 2.300 235 K HA 0.284 4.604 4.320 -0.000 0.000 0.264 235 K C -1.912 174.526 176.600 -0.271 0.000 1.083 235 K CA -1.517 54.658 56.287 -0.187 0.000 0.958 235 K CB 1.267 33.665 32.500 -0.170 0.000 1.318 235 K HN 0.220 nan 8.250 nan 0.000 0.448 236 P HA -0.170 nan 4.420 nan 0.000 0.216 236 P C 0.990 177.841 177.300 -0.749 0.000 1.150 236 P CA 1.254 63.945 63.100 -0.681 0.000 0.843 236 P CB 0.294 31.302 31.700 -1.154 0.000 0.787 237 T N -0.631 113.513 114.554 -0.684 0.000 2.849 237 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 237 T C 1.422 176.049 174.700 -0.123 0.000 1.066 237 T CA 1.025 62.956 62.100 -0.281 0.000 1.130 237 T CB -0.636 68.158 68.868 -0.123 0.000 0.864 237 T HN 0.119 nan 8.240 nan 0.000 0.481 238 L N 0.043 121.179 121.223 -0.145 0.000 2.585 238 L HA 0.123 4.463 4.340 -0.000 0.000 0.226 238 L C 2.350 179.180 176.870 -0.067 0.000 1.113 238 L CA 0.534 55.331 54.840 -0.073 0.000 0.876 238 L CB -0.223 41.799 42.059 -0.061 0.000 1.072 238 L HN 0.212 nan 8.230 nan 0.000 0.468 239 T N -0.843 113.651 114.554 -0.099 0.000 2.980 239 T HA 0.426 4.776 4.350 -0.000 0.000 0.239 239 T C 0.930 175.619 174.700 -0.018 0.000 1.011 239 T CA 0.837 62.897 62.100 -0.067 0.000 1.171 239 T CB 0.660 69.473 68.868 -0.092 0.000 0.873 239 T HN 0.503 nan 8.240 nan 0.000 0.431 240 G N 1.194 109.999 108.800 0.007 0.000 2.247 240 G HA2 0.174 4.134 3.960 -0.000 0.000 0.229 240 G HA3 0.174 4.134 3.960 -0.000 0.000 0.229 240 G C -0.409 174.584 174.900 0.155 0.000 1.345 240 G CA -0.263 44.879 45.100 0.070 0.000 1.100 240 G HN 0.746 nan 8.290 nan 0.000 0.473 241 S N -0.031 115.733 115.700 0.107 0.000 2.576 241 S HA 0.400 4.870 4.470 -0.000 0.000 0.272 241 S C 1.753 176.450 174.600 0.161 0.000 1.352 241 S CA 0.294 58.564 58.200 0.116 0.000 1.021 241 S CB 0.952 64.183 63.200 0.052 0.000 0.887 241 S HN 0.945 nan 8.310 nan 0.000 0.542 242 L N 0.596 121.922 121.223 0.171 0.000 2.081 242 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 242 L C 2.201 179.125 176.870 0.090 0.000 1.080 242 L CA 1.711 56.654 54.840 0.173 0.000 0.754 242 L CB -0.689 41.478 42.059 0.181 0.000 0.893 242 L HN 0.710 nan 8.230 nan 0.000 0.433 243 D N -0.182 120.264 120.400 0.077 0.000 2.117 243 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 243 D C 2.100 178.411 176.300 0.018 0.000 0.987 243 D CA 1.194 55.221 54.000 0.045 0.000 0.829 243 D CB -0.024 40.809 40.800 0.055 0.000 0.961 243 D HN 0.250 nan 8.370 nan 0.000 0.460 244 K N 0.669 121.089 120.400 0.032 0.000 2.057 244 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 244 K C 2.010 178.608 176.600 -0.002 0.000 1.050 244 K CA 0.703 57.004 56.287 0.023 0.000 0.935 244 K CB 0.028 32.550 32.500 0.037 0.000 0.715 244 K HN -0.090 nan 8.250 nan 0.000 0.439 245 V N 1.558 121.472 119.914 -0.000 0.000 2.332 245 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 245 V C 2.375 178.403 176.094 -0.109 0.000 1.055 245 V CA 1.934 64.210 62.300 -0.041 0.000 1.038 245 V CB -0.514 31.302 31.823 -0.012 0.000 0.651 245 V HN 0.362 nan 8.190 nan 0.000 0.450 246 R N -0.166 120.260 120.500 -0.123 0.000 2.091 246 R HA -0.225 4.114 4.340 -0.000 0.000 0.238 246 R C 2.414 178.606 176.300 -0.180 0.000 1.136 246 R CA 1.886 57.865 56.100 -0.202 0.000 0.959 246 R CB -0.383 29.800 30.300 -0.196 0.000 0.856 246 R HN 0.685 nan 8.270 nan 0.000 0.437 247 E N 0.990 121.118 120.200 -0.120 0.000 2.110 247 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 247 E C 1.903 178.380 176.600 -0.205 0.000 0.988 247 E CA 1.297 57.625 56.400 -0.120 0.000 0.804 247 E CB 0.134 29.802 29.700 -0.052 0.000 0.745 247 E HN 0.406 nan 8.360 nan 0.000 0.458 248 Q N -0.017 119.673 119.800 -0.183 0.000 2.049 248 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 248 Q C 2.434 178.168 176.000 -0.443 0.000 0.971 248 Q CA 1.492 57.121 55.803 -0.290 0.000 0.833 248 Q CB 0.087 28.840 28.738 0.026 0.000 0.896 248 Q HN 0.221 nan 8.270 nan 0.000 0.434 249 V N 1.348 121.060 119.914 -0.336 0.000 2.287 249 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 249 V C 2.349 178.109 176.094 -0.557 0.000 1.053 249 V CA 2.014 64.034 62.300 -0.467 0.000 1.027 249 V CB -1.079 30.487 31.823 -0.429 0.000 0.646 249 V HN 0.413 nan 8.190 nan 0.000 0.447 250 A N -0.094 122.500 122.820 -0.376 0.000 1.883 250 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 250 A C 2.428 179.862 177.584 -0.251 0.000 1.186 250 A CA 2.310 54.200 52.037 -0.245 0.000 0.624 250 A CB -0.871 18.030 19.000 -0.166 0.000 0.822 250 A HN 0.606 nan 8.150 nan 0.000 0.444 251 A N -0.277 122.305 122.820 -0.396 0.000 1.902 251 A HA 0.163 4.483 4.320 -0.000 0.000 0.217 251 A C 2.504 179.840 177.584 -0.413 0.000 1.181 251 A CA 2.136 53.898 52.037 -0.458 0.000 0.623 251 A CB -0.991 17.555 19.000 -0.758 0.000 0.818 251 A HN 1.044 nan 8.150 nan 0.000 0.443 252 A N -0.723 121.791 122.820 -0.510 0.000 1.858 252 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 252 A C 1.942 179.539 177.584 0.022 0.000 1.190 252 A CA 1.644 53.598 52.037 -0.139 0.000 0.617 252 A CB -1.091 17.860 19.000 -0.082 0.000 0.827 252 A HN 0.745 nan 8.150 nan 0.000 0.443 253 H N -0.788 118.231 119.070 -0.086 0.000 2.387 253 H HA -0.053 4.503 4.556 0.000 0.000 0.299 253 H C 2.403 177.707 175.328 -0.039 0.000 1.099 253 H CA 0.645 56.662 56.048 -0.052 0.000 1.315 253 H CB 0.020 29.744 29.762 -0.064 0.000 1.380 253 H HN 0.568 nan 8.280 nan 0.000 0.513 254 A N 0.753 123.613 122.820 0.068 0.000 2.070 254 A HA -0.088 4.231 4.320 -0.000 0.000 0.220 254 A C 2.030 179.637 177.584 0.038 0.000 1.159 254 A CA 0.987 53.043 52.037 0.031 0.000 0.656 254 A CB -0.324 18.672 19.000 -0.007 0.000 0.800 254 A HN 0.320 nan 8.150 nan 0.000 0.453 255 L N -1.494 119.762 121.223 0.054 0.000 2.607 255 L HA 0.254 4.594 4.340 -0.000 0.000 0.228 255 L C 1.564 178.479 176.870 0.075 0.000 1.123 255 L CA 0.451 55.333 54.840 0.071 0.000 0.890 255 L CB 0.011 42.133 42.059 0.105 0.000 1.103 255 L HN 0.529 nan 8.230 nan 0.000 0.468 256 G N 0.629 109.473 108.800 0.073 0.000 2.148 256 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 256 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 256 G C 0.183 175.131 174.900 0.081 0.000 0.981 256 G CA -0.129 45.008 45.100 0.061 0.000 0.670 256 G HN 0.231 nan 8.290 nan 0.000 0.528 257 L N 1.235 122.527 121.223 0.116 0.000 2.371 257 L HA 0.427 4.767 4.340 -0.000 0.000 0.272 257 L C 1.076 178.037 176.870 0.152 0.000 1.124 257 L CA -0.503 54.411 54.840 0.123 0.000 0.816 257 L CB 1.013 43.166 42.059 0.158 0.000 1.129 257 L HN 0.091 nan 8.230 nan 0.000 0.448 258 T N 2.257 116.874 114.554 0.105 0.000 2.901 258 T HA 0.401 4.751 4.350 -0.000 0.000 0.301 258 T C 0.090 174.840 174.700 0.083 0.000 1.012 258 T CA -0.401 61.770 62.100 0.119 0.000 1.135 258 T CB 0.995 69.922 68.868 0.098 0.000 0.936 258 T HN 0.662 nan 8.240 nan 0.000 0.539 259 A N 3.252 126.143 122.820 0.118 0.000 2.304 259 A HA 0.651 4.971 4.320 -0.000 0.000 0.314 259 A C -0.506 177.093 177.584 0.025 0.000 1.187 259 A CA -0.658 51.382 52.037 0.005 0.000 0.810 259 A CB 0.854 19.756 19.000 -0.162 0.000 1.183 259 A HN 0.666 nan 8.150 nan 0.000 0.487 260 V N 4.708 124.618 119.914 -0.007 0.000 2.370 260 V HA 0.260 4.380 4.120 -0.000 0.000 0.283 260 V C -0.097 175.999 176.094 0.002 0.000 1.023 260 V CA -0.635 61.684 62.300 0.031 0.000 0.857 260 V CB 1.216 33.084 31.823 0.076 0.000 0.985 260 V HN 0.714 nan 8.190 nan 0.000 0.443 261 I N 4.126 124.703 120.570 0.013 0.000 2.471 261 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 261 I C 0.557 176.675 176.117 0.002 0.000 1.079 261 I CA 0.929 62.225 61.300 -0.005 0.000 1.398 261 I CB 1.053 39.063 38.000 0.015 0.000 1.403 261 I HN 0.704 nan 8.210 nan 0.000 0.530 262 S N 4.747 120.426 115.700 -0.037 0.000 2.548 262 S HA 0.432 4.902 4.470 -0.000 0.000 0.286 262 S C -0.405 174.145 174.600 -0.083 0.000 1.098 262 S CA -0.466 57.707 58.200 -0.045 0.000 0.930 262 S CB 1.768 64.939 63.200 -0.049 0.000 1.070 262 S HN 0.646 nan 8.310 nan 0.000 0.480 263 S N 2.027 117.677 115.700 -0.083 0.000 2.565 263 S HA 0.391 4.861 4.470 -0.000 0.000 0.276 263 S C 0.228 174.735 174.600 -0.155 0.000 1.326 263 S CA -0.404 57.733 58.200 -0.105 0.000 1.045 263 S CB 0.539 63.672 63.200 -0.112 0.000 0.918 263 S HN 0.661 nan 8.310 nan 0.000 0.505 264 S N 4.239 119.847 115.700 -0.152 0.000 2.562 264 S HA 0.332 4.802 4.470 -0.000 0.000 0.246 264 S C 0.260 174.769 174.600 -0.151 0.000 1.056 264 S CA -0.451 57.631 58.200 -0.196 0.000 1.042 264 S CB -0.812 62.285 63.200 -0.173 0.000 0.822 264 S HN 0.793 nan 8.310 nan 0.000 0.465 265 I N 0.603 121.090 120.570 -0.139 0.000 6.521 265 I HA -0.250 3.919 4.170 -0.000 0.000 0.126 265 I C -0.135 175.961 176.117 -0.035 0.000 1.822 265 I CA 0.084 61.316 61.300 -0.113 0.000 2.063 265 I CB -1.593 36.328 38.000 -0.130 0.000 3.493 265 I HN 0.260 nan 8.210 nan 0.000 0.177 266 E N 1.539 121.741 120.200 0.004 0.000 2.409 266 E HA 0.366 4.716 4.350 -0.000 0.000 0.257 266 E C 0.809 177.451 176.600 0.070 0.000 1.150 266 E CA 0.331 56.793 56.400 0.104 0.000 0.942 266 E CB 0.519 30.311 29.700 0.154 0.000 0.979 266 E HN 0.470 nan 8.360 nan 0.000 0.447 267 S N 0.244 116.006 115.700 0.104 0.000 2.606 267 S HA -0.018 4.452 4.470 -0.000 0.000 0.257 267 S C 1.297 175.899 174.600 0.003 0.000 1.327 267 S CA 0.026 58.190 58.200 -0.059 0.000 0.984 267 S CB 0.892 63.900 63.200 -0.321 0.000 0.941 267 S HN 0.572 nan 8.310 nan 0.000 0.576 268 S N 0.951 116.628 115.700 -0.038 0.000 2.387 268 S HA -0.186 4.284 4.470 -0.000 0.000 0.230 268 S C 1.770 176.413 174.600 0.071 0.000 1.035 268 S CA 1.238 59.462 58.200 0.040 0.000 1.014 268 S CB -1.035 62.175 63.200 0.015 0.000 0.836 268 S HN 0.735 nan 8.310 nan 0.000 0.466 269 L N 2.947 124.157 121.223 -0.022 0.000 1.970 269 L HA 0.078 4.417 4.340 -0.000 0.000 0.212 269 L C 2.549 179.464 176.870 0.075 0.000 1.071 269 L CA 2.273 57.065 54.840 -0.080 0.000 0.751 269 L CB -1.647 40.218 42.059 -0.324 0.000 0.889 269 L HN 0.384 nan 8.230 nan 0.000 0.432 270 G N -0.728 108.181 108.800 0.182 0.000 2.422 270 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 270 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 270 G C 1.655 176.708 174.900 0.255 0.000 1.146 270 G CA 0.970 46.226 45.100 0.261 0.000 0.769 270 G HN 0.454 nan 8.290 nan 0.000 0.547 271 L N 1.182 122.541 121.223 0.226 0.000 2.046 271 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 271 L C 3.373 180.533 176.870 0.483 0.000 1.077 271 L CA 1.805 56.813 54.840 0.280 0.000 0.747 271 L CB -0.940 41.220 42.059 0.168 0.000 0.896 271 L HN 0.446 nan 8.230 nan 0.000 0.432 272 T N -3.418 111.397 114.554 0.435 0.000 2.867 272 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 272 T C 1.765 176.600 174.700 0.224 0.000 1.057 272 T CA 1.041 63.360 62.100 0.366 0.000 1.136 272 T CB -0.245 68.763 68.868 0.233 0.000 0.874 272 T HN 0.373 nan 8.240 nan 0.000 0.466 273 Q N 0.616 120.536 119.800 0.200 0.000 2.079 273 Q HA 0.123 4.463 4.340 -0.000 0.000 0.200 273 Q C 2.466 178.599 176.000 0.222 0.000 0.974 273 Q CA 1.187 57.095 55.803 0.175 0.000 0.840 273 Q CB -0.407 28.427 28.738 0.160 0.000 0.898 273 Q HN 0.512 nan 8.270 nan 0.000 0.430 274 L N 0.144 121.527 121.223 0.266 0.000 2.083 274 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 274 L C 2.487 179.468 176.870 0.185 0.000 1.083 274 L CA 0.890 55.870 54.840 0.233 0.000 0.752 274 L CB -0.587 41.589 42.059 0.195 0.000 0.899 274 L HN 0.220 nan 8.230 nan 0.000 0.433 275 A N 0.276 123.214 122.820 0.197 0.000 1.933 275 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 275 A C 2.379 179.932 177.584 -0.051 0.000 1.175 275 A CA 1.512 53.585 52.037 0.061 0.000 0.628 275 A CB -0.409 18.526 19.000 -0.108 0.000 0.814 275 A HN 0.333 nan 8.150 nan 0.000 0.444 276 R N -0.577 119.911 120.500 -0.019 0.000 2.075 276 R HA 0.039 4.378 4.340 -0.000 0.000 0.232 276 R C 1.976 178.376 176.300 0.167 0.000 1.126 276 R CA 1.446 57.553 56.100 0.011 0.000 0.963 276 R CB -0.452 29.858 30.300 0.016 0.000 0.858 276 R HN 0.554 nan 8.270 nan 0.000 0.435 277 I N 0.660 121.364 120.570 0.224 0.000 2.208 277 I HA -0.288 3.881 4.170 -0.000 0.000 0.245 277 I C 2.569 178.796 176.117 0.184 0.000 1.097 277 I CA 1.349 62.825 61.300 0.294 0.000 1.363 277 I CB -0.383 37.767 38.000 0.250 0.000 1.051 277 I HN 0.221 nan 8.210 nan 0.000 0.413 278 A N 0.651 123.545 122.820 0.122 0.000 1.873 278 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 278 A C 2.536 180.174 177.584 0.089 0.000 1.186 278 A CA 1.724 53.810 52.037 0.083 0.000 0.616 278 A CB -0.847 18.199 19.000 0.077 0.000 0.823 278 A HN 0.421 nan 8.150 nan 0.000 0.442 279 A N -1.674 121.196 122.820 0.082 0.000 1.972 279 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 279 A C 1.931 179.619 177.584 0.173 0.000 1.169 279 A CA 1.677 53.759 52.037 0.076 0.000 0.635 279 A CB -0.679 18.321 19.000 -0.000 0.000 0.810 279 A HN 0.893 nan 8.150 nan 0.000 0.446 280 W N 0.380 121.677 121.300 -0.005 0.000 2.452 280 W HA 0.046 4.706 4.660 -0.000 0.000 0.313 280 W C 1.611 178.148 176.519 0.028 0.000 1.176 280 W CA 1.597 58.947 57.345 0.008 0.000 1.350 280 W CB -0.638 28.828 29.460 0.009 0.000 1.148 280 W HN 0.181 nan 8.180 nan 0.000 0.498 281 L N 0.395 121.548 121.223 -0.116 0.000 2.307 281 L HA 0.119 4.459 4.340 -0.000 0.000 0.211 281 L C 1.173 178.019 176.870 -0.041 0.000 1.099 281 L CA 1.479 56.137 54.840 -0.304 0.000 0.816 281 L CB -0.830 40.963 42.059 -0.443 0.000 0.952 281 L HN 0.048 nan 8.230 nan 0.000 0.455 282 T N -4.268 110.309 114.554 0.039 0.000 3.630 282 T HA 0.267 4.617 4.350 -0.000 0.000 0.238 282 T C -1.802 172.946 174.700 0.081 0.000 1.195 282 T CA -1.263 60.906 62.100 0.116 0.000 1.433 282 T CB 0.448 69.377 68.868 0.102 0.000 0.940 282 T HN -0.112 nan 8.240 nan 0.000 0.641 283 P HA -0.032 nan 4.420 nan 0.000 0.218 283 P C 1.608 178.929 177.300 0.034 0.000 1.148 283 P CA 1.139 64.270 63.100 0.053 0.000 0.822 283 P CB -0.344 31.388 31.700 0.053 0.000 0.784 284 G N -1.355 107.457 108.800 0.018 0.000 2.985 284 G HA2 0.047 4.006 3.960 -0.000 0.000 0.209 284 G HA3 0.047 4.006 3.960 -0.000 0.000 0.209 284 G C 0.030 174.945 174.900 0.025 0.000 1.165 284 G CA 0.228 45.333 45.100 0.008 0.000 0.776 284 G HN 0.232 nan 8.290 nan 0.000 0.541 285 T N 1.057 115.641 114.554 0.050 0.000 2.847 285 T HA 0.332 4.682 4.350 -0.000 0.000 0.291 285 T C -0.681 174.064 174.700 0.076 0.000 0.998 285 T CA -0.561 61.582 62.100 0.071 0.000 0.967 285 T CB 2.296 71.225 68.868 0.101 0.000 0.954 285 T HN -0.004 nan 8.240 nan 0.000 0.441 286 L N 7.322 128.590 121.223 0.075 0.000 2.559 286 L HA 0.272 4.612 4.340 -0.000 0.000 0.274 286 L C -1.923 175.004 176.870 0.095 0.000 1.205 286 L CA -1.001 53.887 54.840 0.081 0.000 0.907 286 L CB 0.046 42.148 42.059 0.071 0.000 1.153 286 L HN 0.350 nan 8.230 nan 0.000 0.490 287 P HA 0.219 nan 4.420 nan 0.000 0.278 287 P C -0.381 176.971 177.300 0.086 0.000 1.258 287 P CA -0.564 62.593 63.100 0.095 0.000 0.811 287 P CB 0.824 32.586 31.700 0.103 0.000 1.063 288 G N 1.486 110.326 108.800 0.066 0.000 3.515 288 G HA2 0.384 4.344 3.960 -0.000 0.000 0.288 288 G HA3 0.384 4.344 3.960 -0.000 0.000 0.288 288 G C 0.407 175.304 174.900 -0.005 0.000 1.012 288 G CA -0.352 44.771 45.100 0.039 0.000 1.689 288 G HN 0.379 nan 8.290 nan 0.000 0.572 289 L N 0.189 121.403 121.223 -0.015 0.000 2.959 289 L HA 0.221 4.561 4.340 -0.000 0.000 0.259 289 L C 0.564 177.298 176.870 -0.227 0.000 1.185 289 L CA -0.186 54.596 54.840 -0.097 0.000 0.998 289 L CB 0.721 42.763 42.059 -0.028 0.000 1.337 289 L HN 0.194 nan 8.230 nan 0.000 0.555 290 D N 1.032 121.350 120.400 -0.137 0.000 2.801 290 D HA 0.020 4.660 4.640 -0.000 0.000 0.232 290 D C 1.274 177.483 176.300 -0.151 0.000 1.128 290 D CA 0.265 54.192 54.000 -0.121 0.000 1.003 290 D CB 0.293 41.100 40.800 0.012 0.000 1.110 290 D HN 0.215 nan 8.370 nan 0.000 0.477 291 T N -2.391 111.982 114.554 -0.302 0.000 3.043 291 T HA 0.026 4.376 4.350 -0.000 0.000 0.272 291 T C 1.505 175.932 174.700 -0.454 0.000 0.990 291 T CA -0.365 61.497 62.100 -0.397 0.000 0.897 291 T CB -0.072 68.638 68.868 -0.262 0.000 1.111 291 T HN 0.132 nan 8.240 nan 0.000 0.529 292 L N 3.005 123.985 121.223 -0.405 0.000 2.093 292 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 292 L C 2.514 179.237 176.870 -0.246 0.000 1.085 292 L CA 1.846 56.502 54.840 -0.306 0.000 0.755 292 L CB -0.898 40.965 42.059 -0.327 0.000 0.904 292 L HN 0.598 nan 8.230 nan 0.000 0.435 293 H N -1.112 117.870 119.070 -0.146 0.000 2.543 293 H HA -0.038 4.518 4.556 -0.000 0.000 0.286 293 H C 0.852 176.136 175.328 -0.073 0.000 1.037 293 H CA 0.131 56.121 56.048 -0.096 0.000 1.250 293 H CB -0.679 29.032 29.762 -0.085 0.000 1.373 293 H HN 0.348 nan 8.280 nan 0.000 0.580 297 A N 0.898 123.690 122.820 -0.046 0.000 2.604 297 A HA 0.668 4.987 4.320 -0.000 0.000 0.295 297 A C -1.490 176.044 177.584 -0.085 0.000 1.067 297 A CA -0.639 51.364 52.037 -0.056 0.000 0.683 297 A CB 1.512 20.480 19.000 -0.052 0.000 1.281 297 A HN 0.062 nan 8.150 nan 0.000 0.407 298 Q N 0.275 120.024 119.800 -0.085 0.000 2.195 298 Q HA 0.690 5.030 4.340 -0.000 0.000 0.250 298 Q C -1.016 174.899 176.000 -0.142 0.000 0.988 298 Q CA -0.735 55.005 55.803 -0.105 0.000 0.911 298 Q CB 1.675 30.372 28.738 -0.069 0.000 1.258 298 Q HN 0.694 nan 8.270 nan 0.000 0.475 299 Q N 0.551 120.242 119.800 -0.181 0.000 2.315 299 Q HA 0.354 4.693 4.340 -0.000 0.000 0.273 299 Q C -0.008 175.818 176.000 -0.290 0.000 1.053 299 Q CA -0.370 55.305 55.803 -0.213 0.000 0.817 299 Q CB 2.333 30.925 28.738 -0.243 0.000 1.326 299 Q HN 0.756 nan 8.270 nan 0.000 0.423 300 I N -0.658 119.718 120.570 -0.323 0.000 4.473 300 I HA -0.475 3.694 4.170 -0.000 0.000 0.062 300 I C 0.173 176.046 176.117 -0.407 0.000 0.603 300 I CA 1.697 62.718 61.300 -0.464 0.000 0.966 300 I CB -0.659 36.853 38.000 -0.812 0.000 0.870 300 I HN 0.612 nan 8.210 nan 0.000 0.168 301 R N 2.225 122.502 120.500 -0.371 0.000 2.393 301 R HA 0.412 4.752 4.340 -0.000 0.000 0.315 301 R C -2.498 173.704 176.300 -0.163 0.000 0.952 301 R CA -1.514 54.426 56.100 -0.267 0.000 0.842 301 R CB 1.833 31.974 30.300 -0.266 0.000 1.163 301 R HN 0.114 nan 8.270 nan 0.000 0.450 302 P HA 0.028 nan 4.420 nan 0.000 0.281 302 P C -0.727 176.543 177.300 -0.050 0.000 1.249 302 P CA -0.500 62.555 63.100 -0.074 0.000 0.810 302 P CB 1.084 32.729 31.700 -0.092 0.000 1.008 303 W N 4.202 125.414 121.300 -0.148 0.000 2.345 303 W HA 0.229 4.888 4.660 -0.001 0.000 0.308 303 W C -2.473 173.920 176.519 -0.209 0.000 1.273 303 W CA -2.229 55.020 57.345 -0.161 0.000 1.243 303 W CB 0.326 29.747 29.460 -0.065 0.000 1.260 303 W HN 0.289 nan 8.180 nan 0.000 0.509 304 P HA 0.080 nan 4.420 nan 0.000 0.260 304 P C 0.624 177.847 177.300 -0.129 0.000 1.185 304 P CA 1.753 64.597 63.100 -0.428 0.000 0.763 304 P CB 0.353 31.641 31.700 -0.687 0.000 0.776 305 G N 1.944 110.724 108.800 -0.034 0.000 2.213 305 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.236 305 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.236 305 G C 0.500 175.456 174.900 0.092 0.000 0.991 305 G CA 0.131 45.257 45.100 0.043 0.000 0.629 305 G HN 0.757 nan 8.290 nan 0.000 0.517 306 S N 0.510 116.292 115.700 0.137 0.000 2.549 306 S HA 0.620 5.090 4.470 -0.000 0.000 0.279 306 S C 1.480 176.105 174.600 0.041 0.000 1.321 306 S CA 0.836 59.098 58.200 0.103 0.000 1.054 306 S CB 1.199 64.471 63.200 0.120 0.000 0.899 306 S HN 1.555 nan 8.310 nan 0.000 0.497 307 A N 5.321 128.156 122.820 0.026 0.000 2.275 307 A HA 0.339 4.659 4.320 -0.000 0.000 0.212 307 A C 0.679 178.263 177.584 0.000 0.000 1.201 307 A CA -0.125 51.917 52.037 0.008 0.000 0.843 307 A CB -0.305 18.698 19.000 0.006 0.000 0.873 307 A HN 0.774 nan 8.150 nan 0.000 0.492 308 L N 1.837 123.061 121.223 0.001 0.000 2.456 308 L HA 0.189 4.529 4.340 -0.000 0.000 0.272 308 L C -1.824 175.035 176.870 -0.019 0.000 1.189 308 L CA -1.664 53.170 54.840 -0.010 0.000 0.846 308 L CB 0.291 42.341 42.059 -0.016 0.000 1.111 308 L HN 0.159 nan 8.230 nan 0.000 0.475 309 P HA -0.029 nan 4.420 nan 0.000 0.269 309 P C -0.940 176.334 177.300 -0.043 0.000 1.215 309 P CA -0.411 62.671 63.100 -0.029 0.000 0.780 309 P CB 0.917 32.602 31.700 -0.024 0.000 0.898 310 C N 4.729 123.998 119.300 -0.052 0.000 2.301 310 C HA 0.485 4.945 4.460 -0.000 0.000 0.323 310 C C 0.115 175.059 174.990 -0.077 0.000 1.265 310 C CA -0.747 58.227 59.018 -0.074 0.000 1.503 310 C CB -1.234 26.455 27.740 -0.085 0.000 2.195 310 C HN 0.444 nan 8.230 nan 0.000 0.477 311 L N 5.915 127.087 121.223 -0.085 0.000 2.371 311 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 311 L C 0.489 177.301 176.870 -0.097 0.000 1.124 311 L CA -0.003 54.795 54.840 -0.071 0.000 0.816 311 L CB 0.520 42.547 42.059 -0.054 0.000 1.129 311 L HN 0.632 nan 8.230 nan 0.000 0.448 312 K N 1.590 121.947 120.400 -0.073 0.000 2.090 312 K HA 0.193 4.512 4.320 -0.000 0.000 0.250 312 K C 1.111 177.662 176.600 -0.081 0.000 1.004 312 K CA -0.659 55.574 56.287 -0.090 0.000 0.919 312 K CB 1.083 33.551 32.500 -0.053 0.000 1.045 312 K HN 0.554 nan 8.250 nan 0.000 0.471 313 R N 0.658 121.086 120.500 -0.119 0.000 2.120 313 R HA -0.176 4.163 4.340 -0.000 0.000 0.234 313 R C 0.721 177.035 176.300 0.023 0.000 1.123 313 R CA 1.618 57.628 56.100 -0.149 0.000 0.975 313 R CB -0.217 29.968 30.300 -0.191 0.000 0.866 313 R HN 0.514 nan 8.270 nan 0.000 0.446 314 E N 1.289 121.530 120.200 0.069 0.000 2.333 314 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 314 E C 1.268 177.937 176.600 0.115 0.000 1.007 314 E CA 1.327 57.799 56.400 0.120 0.000 0.845 314 E CB 0.011 29.762 29.700 0.086 0.000 0.766 314 E HN 0.617 nan 8.360 nan 0.000 0.507 315 E N -0.134 120.115 120.200 0.082 0.000 2.478 315 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 315 E C 0.171 176.847 176.600 0.127 0.000 1.045 315 E CA 0.004 56.454 56.400 0.084 0.000 0.868 315 E CB 0.240 29.967 29.700 0.045 0.000 0.885 315 E HN 0.229 nan 8.360 nan 0.000 0.505 316 L N 1.101 122.430 121.223 0.177 0.000 2.387 316 L HA 0.269 4.609 4.340 -0.000 0.000 0.266 316 L C 0.523 177.594 176.870 0.335 0.000 1.059 316 L CA -0.683 54.320 54.840 0.271 0.000 0.801 316 L CB 0.866 43.121 42.059 0.327 0.000 1.223 316 L HN -0.023 nan 8.230 nan 0.000 0.456 317 E N 1.573 121.969 120.200 0.326 0.000 2.257 317 E HA 0.089 4.439 4.350 -0.000 0.000 0.278 317 E C -0.567 176.197 176.600 0.273 0.000 1.049 317 E CA -0.572 55.978 56.400 0.251 0.000 0.876 317 E CB 0.804 30.621 29.700 0.194 0.000 1.035 317 E HN 0.286 nan 8.360 nan 0.000 0.419 318 R N 4.529 125.128 120.500 0.166 0.000 2.221 318 R HA 0.189 4.528 4.340 -0.000 0.000 0.327 318 R C 0.376 176.643 176.300 -0.055 0.000 1.033 318 R CA -0.054 56.034 56.100 -0.019 0.000 0.887 318 R CB 0.508 30.791 30.300 -0.028 0.000 1.057 318 R HN 0.693 nan 8.270 nan 0.000 0.455 319 L N 3.529 124.687 121.223 -0.108 0.000 2.253 319 L HA 0.234 4.573 4.340 -0.000 0.000 0.205 319 L C 0.398 177.211 176.870 -0.095 0.000 1.078 319 L CA 0.471 55.263 54.840 -0.080 0.000 0.805 319 L CB -0.049 41.969 42.059 -0.069 0.000 0.963 319 L HN 0.477 nan 8.230 nan 0.000 0.459 320 L N 0.000 121.135 121.223 -0.147 0.000 2.949 320 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 320 L CA 0.000 54.769 54.840 -0.119 0.000 0.813 320 L CB 0.000 42.003 42.059 -0.094 0.000 0.961 320 L HN 0.000 nan 8.230 nan 0.000 0.502