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 2hh1_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.610 177.584 0.044 0.000 1.274 1 A CA 0.000 52.054 52.037 0.029 0.000 0.836 1 A CB 0.000 19.019 19.000 0.032 0.000 0.831 2 E N 1.135 121.356 120.200 0.035 0.000 2.373 2 E HA 0.344 4.694 4.350 -0.000 0.000 0.267 2 E C -0.303 176.344 176.600 0.078 0.000 1.032 2 E CA -0.323 56.107 56.400 0.050 0.000 0.889 2 E CB 0.357 30.066 29.700 0.016 0.000 0.984 2 E HN 0.636 nan 8.360 nan 0.000 0.425 3 Y N 2.478 122.771 120.300 -0.012 0.000 2.632 3 Y HA -0.072 4.478 4.550 -0.000 0.000 0.329 3 Y C 0.537 176.423 175.900 -0.023 0.000 1.174 3 Y CA 0.311 58.406 58.100 -0.007 0.000 1.469 3 Y CB 0.570 39.027 38.460 -0.005 0.000 1.242 3 Y HN 0.460 nan 8.280 nan 0.000 0.540 4 Q N 3.947 123.363 119.800 -0.639 0.000 2.356 4 Q HA -0.025 4.315 4.340 -0.000 0.000 0.205 4 Q C 0.522 176.077 176.000 -0.742 0.000 0.901 4 Q CA 0.570 56.047 55.803 -0.543 0.000 0.938 4 Q CB -0.166 28.396 28.738 -0.292 0.000 1.081 4 Q HN 0.891 nan 8.270 nan 0.000 0.517 5 N N 0.059 117.904 118.700 -1.426 0.000 2.747 5 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 5 N C 0.278 175.557 175.510 -0.386 0.000 1.107 5 N CA 0.317 52.883 53.050 -0.806 0.000 0.707 5 N CB -0.848 37.393 38.487 -0.410 0.000 1.054 5 N HN 0.154 nan 8.380 nan 0.000 0.555 6 I N -1.267 119.063 120.570 -0.399 0.000 2.494 6 I HA 0.093 4.263 4.170 -0.000 0.000 0.250 6 I C 0.765 176.586 176.117 -0.494 0.000 1.112 6 I CA 1.070 62.098 61.300 -0.453 0.000 1.438 6 I CB -0.657 37.013 38.000 -0.550 0.000 1.111 6 I HN 0.025 nan 8.210 nan 0.000 0.431 7 F N 0.336 120.379 119.950 0.156 0.000 2.522 7 F HA 0.426 4.953 4.527 -0.000 0.000 0.324 7 F C 0.912 176.941 175.800 0.380 0.000 1.077 7 F CA -1.099 57.073 58.000 0.287 0.000 0.944 7 F CB 0.978 40.128 39.000 0.250 0.000 1.175 7 F HN -0.320 nan 8.300 nan 0.000 0.468 8 S N 1.319 117.390 115.700 0.618 0.000 2.580 8 S HA 0.123 4.592 4.470 -0.000 0.000 0.274 8 S C 0.893 175.786 174.600 0.488 0.000 1.329 8 S CA -0.555 57.932 58.200 0.478 0.000 1.036 8 S CB 1.141 64.542 63.200 0.334 0.000 0.919 8 S HN 0.665 nan 8.310 nan 0.000 0.515 9 Q N 0.650 120.576 119.800 0.211 0.000 2.165 9 Q HA 0.095 4.434 4.340 -0.000 0.000 0.197 9 Q C -0.219 175.912 176.000 0.219 0.000 0.952 9 Q CA 0.828 56.707 55.803 0.126 0.000 0.848 9 Q CB 0.194 28.822 28.738 -0.184 0.000 0.931 9 Q HN 0.467 nan 8.270 nan 0.000 0.470 10 V N 1.581 121.564 119.914 0.116 0.000 2.531 10 V HA 0.245 4.365 4.120 -0.000 0.000 0.301 10 V C -0.681 175.408 176.094 -0.008 0.000 1.034 10 V CA -0.762 61.575 62.300 0.061 0.000 0.865 10 V CB 1.758 33.584 31.823 0.005 0.000 0.995 10 V HN 0.133 nan 8.190 nan 0.000 0.424 11 Q N 2.463 122.196 119.800 -0.111 0.000 2.230 11 Q HA 0.716 5.056 4.340 -0.000 0.000 0.253 11 Q C -0.590 175.341 176.000 -0.115 0.000 0.919 11 Q CA -0.642 55.060 55.803 -0.168 0.000 0.908 11 Q CB 2.524 31.049 28.738 -0.355 0.000 1.245 11 Q HN 0.789 nan 8.270 nan 0.000 0.437 12 V N -0.358 119.504 119.914 -0.086 0.000 2.715 12 V HA 0.760 4.880 4.120 -0.000 0.000 0.310 12 V C -0.697 175.349 176.094 -0.080 0.000 1.054 12 V CA -1.037 61.218 62.300 -0.074 0.000 0.928 12 V CB 1.952 33.745 31.823 -0.049 0.000 1.007 12 V HN 0.799 nan 8.190 nan 0.000 0.437 13 R N 1.439 121.877 120.500 -0.104 0.000 2.686 13 R HA 0.802 5.142 4.340 -0.000 0.000 0.283 13 R C -0.160 176.063 176.300 -0.128 0.000 0.978 13 R CA 0.088 56.106 56.100 -0.136 0.000 0.897 13 R CB 2.249 32.394 30.300 -0.258 0.000 1.192 13 R HN 1.188 nan 8.270 nan 0.000 0.457 14 G N 2.132 110.870 108.800 -0.103 0.000 3.176 14 G HA2 0.545 4.505 3.960 -0.000 0.000 0.272 14 G HA3 0.545 4.505 3.960 -0.000 0.000 0.272 14 G C -2.581 172.272 174.900 -0.077 0.000 1.349 14 G CA -1.145 43.907 45.100 -0.079 0.000 0.953 14 G HN 0.467 nan 8.290 nan 0.000 0.559 15 P HA 0.379 nan 4.420 nan 0.000 0.266 15 P C 0.187 177.541 177.300 0.090 0.000 1.195 15 P CA -0.024 63.080 63.100 0.006 0.000 0.768 15 P CB 0.554 32.258 31.700 0.008 0.000 0.838 16 A N 2.562 125.485 122.820 0.172 0.000 2.598 16 A HA -0.028 4.292 4.320 -0.000 0.000 0.239 16 A C 0.516 178.174 177.584 0.124 0.000 1.032 16 A CA 0.307 52.500 52.037 0.260 0.000 0.760 16 A CB -0.427 18.705 19.000 0.220 0.000 0.946 16 A HN 0.539 nan 8.150 nan 0.000 0.512 17 D N 2.571 123.032 120.400 0.102 0.000 2.339 17 D HA 0.280 4.920 4.640 -0.000 0.000 0.241 17 D C 0.726 177.039 176.300 0.021 0.000 1.183 17 D CA -0.102 53.926 54.000 0.047 0.000 0.859 17 D CB 0.595 41.417 40.800 0.036 0.000 1.067 17 D HN 0.462 nan 8.370 nan 0.000 0.484 18 L N 3.028 124.262 121.223 0.018 0.000 2.592 18 L HA 0.257 4.597 4.340 -0.000 0.000 0.227 18 L C 1.405 178.277 176.870 0.002 0.000 1.127 18 L CA 0.182 55.027 54.840 0.009 0.000 0.884 18 L CB -0.656 41.411 42.059 0.013 0.000 1.065 18 L HN 0.633 nan 8.230 nan 0.000 0.457 19 G N 0.265 109.064 108.800 -0.001 0.000 2.757 19 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.638 19 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.638 19 G C -0.376 174.516 174.900 -0.012 0.000 1.344 19 G CA -0.881 44.213 45.100 -0.010 0.000 0.855 19 G HN -0.126 nan 8.290 nan 0.000 0.537 20 M N 0.164 119.751 119.600 -0.022 0.000 2.241 20 M HA 0.364 4.844 4.480 -0.000 0.000 0.335 20 M C 1.658 177.943 176.300 -0.025 0.000 1.122 20 M CA 0.399 55.683 55.300 -0.026 0.000 1.164 20 M CB 0.367 32.946 32.600 -0.037 0.000 1.459 20 M HN 0.690 nan 8.290 nan 0.000 0.461 21 T N -0.521 114.019 114.554 -0.022 0.000 2.988 21 T HA 0.031 4.380 4.350 -0.000 0.000 0.240 21 T C 0.745 175.427 174.700 -0.030 0.000 1.014 21 T CA 0.052 62.141 62.100 -0.017 0.000 1.155 21 T CB 0.207 69.069 68.868 -0.009 0.000 0.872 21 T HN 0.575 nan 8.240 nan 0.000 0.440 22 E N 1.382 121.562 120.200 -0.033 0.000 3.551 22 E HA -0.237 4.112 4.350 -0.000 0.000 0.403 22 E C 0.298 176.877 176.600 -0.036 0.000 1.596 22 E CA 1.684 58.061 56.400 -0.039 0.000 1.713 22 E CB -1.114 28.553 29.700 -0.056 0.000 1.618 22 E HN 0.374 nan 8.360 nan 0.000 0.429 23 D N 0.848 121.219 120.400 -0.048 0.000 2.325 23 D HA 0.138 4.778 4.640 -0.000 0.000 0.225 23 D C -0.136 176.140 176.300 -0.041 0.000 1.096 23 D CA 0.089 54.064 54.000 -0.040 0.000 0.844 23 D CB 0.187 40.959 40.800 -0.047 0.000 0.925 23 D HN -0.054 nan 8.370 nan 0.000 0.513 24 V N 2.107 121.993 119.914 -0.047 0.000 2.585 24 V HA -0.061 4.059 4.120 -0.000 0.000 0.296 24 V C 0.880 177.008 176.094 0.058 0.000 1.035 24 V CA -0.535 61.744 62.300 -0.035 0.000 1.084 24 V CB 0.703 32.502 31.823 -0.040 0.000 0.953 24 V HN 0.082 nan 8.190 nan 0.000 0.483 25 N N 4.697 123.482 118.700 0.140 0.000 2.400 25 N HA 0.089 4.829 4.740 -0.000 0.000 0.267 25 N C 0.752 176.362 175.510 0.167 0.000 1.208 25 N CA 0.222 53.362 53.050 0.150 0.000 0.951 25 N CB 0.418 39.003 38.487 0.163 0.000 1.227 25 N HN 0.652 nan 8.380 nan 0.000 0.488 26 L N 2.558 123.829 121.223 0.080 0.000 2.362 26 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 26 L C 2.133 179.001 176.870 -0.004 0.000 1.134 26 L CA 0.825 55.694 54.840 0.048 0.000 0.807 26 L CB -0.373 41.701 42.059 0.026 0.000 0.927 26 L HN 0.578 nan 8.230 nan 0.000 0.447 27 A N 0.547 123.355 122.820 -0.020 0.000 2.019 27 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 27 A C 1.780 179.290 177.584 -0.123 0.000 1.164 27 A CA 1.777 53.781 52.037 -0.055 0.000 0.644 27 A CB -0.658 18.316 19.000 -0.043 0.000 0.805 27 A HN 0.546 nan 8.150 nan 0.000 0.449 28 N N -0.847 117.723 118.700 -0.215 0.000 2.383 28 N HA 0.075 4.815 4.740 -0.000 0.000 0.192 28 N C -0.020 175.190 175.510 -0.499 0.000 1.141 28 N CA -0.127 52.642 53.050 -0.469 0.000 0.851 28 N CB 0.256 38.212 38.487 -0.885 0.000 0.976 28 N HN 0.367 nan 8.380 nan 0.000 0.465 29 R N 0.889 121.260 120.500 -0.215 0.000 2.368 29 R HA 0.254 4.594 4.340 -0.000 0.000 0.302 29 R C 0.425 176.678 176.300 -0.078 0.000 1.002 29 R CA -0.431 55.608 56.100 -0.102 0.000 0.929 29 R CB 1.347 31.656 30.300 0.015 0.000 1.073 29 R HN 0.127 nan 8.270 nan 0.000 0.464 30 S N 1.082 116.745 115.700 -0.061 0.000 2.612 30 S HA 0.189 4.659 4.470 -0.000 0.000 0.253 30 S C 0.727 175.311 174.600 -0.025 0.000 1.346 30 S CA -0.515 57.660 58.200 -0.042 0.000 0.976 30 S CB 0.638 63.819 63.200 -0.032 0.000 0.949 30 S HN 0.667 nan 8.310 nan 0.000 0.584 31 G N -0.567 108.221 108.800 -0.019 0.000 2.537 31 G HA2 0.483 4.443 3.960 -0.000 0.000 0.273 31 G HA3 0.483 4.443 3.960 -0.000 0.000 0.273 31 G C 0.162 175.052 174.900 -0.017 0.000 1.189 31 G CA -0.511 44.583 45.100 -0.010 0.000 0.881 31 G HN 1.459 nan 8.290 nan 0.000 0.535 32 V N -0.275 119.630 119.914 -0.015 0.000 2.901 32 V HA 0.501 4.620 4.120 -0.000 0.000 0.307 32 V C 1.149 177.214 176.094 -0.047 0.000 1.084 32 V CA -0.049 62.223 62.300 -0.047 0.000 1.184 32 V CB 0.054 31.855 31.823 -0.036 0.000 0.941 32 V HN 0.935 nan 8.190 nan 0.000 0.493 33 G N 3.156 111.900 108.800 -0.094 0.000 2.531 33 G HA2 0.635 4.595 3.960 -0.000 0.000 0.281 33 G HA3 0.635 4.595 3.960 -0.000 0.000 0.281 33 G C -2.280 172.568 174.900 -0.087 0.000 1.382 33 G CA -1.088 43.969 45.100 -0.072 0.000 1.045 33 G HN 0.818 nan 8.290 nan 0.000 0.533 34 P HA 0.268 nan 4.420 nan 0.000 0.274 34 P C -1.208 176.052 177.300 -0.066 0.000 1.260 34 P CA -0.169 62.950 63.100 0.033 0.000 0.793 34 P CB 0.619 32.345 31.700 0.044 0.000 1.048 35 F N -0.650 119.291 119.950 -0.015 0.000 2.443 35 F HA 0.319 4.846 4.527 -0.000 0.000 0.335 35 F C 1.082 176.867 175.800 -0.026 0.000 1.104 35 F CA -0.212 57.773 58.000 -0.024 0.000 1.013 35 F CB 1.596 40.575 39.000 -0.035 0.000 1.136 35 F HN 0.087 nan 8.300 nan 0.000 0.470 36 S N 2.037 117.805 115.700 0.114 0.000 2.528 36 S HA 0.185 4.655 4.470 -0.000 0.000 0.303 36 S C 0.903 175.522 174.600 0.031 0.000 1.123 36 S CA -0.488 57.750 58.200 0.064 0.000 1.138 36 S CB 0.534 63.757 63.200 0.038 0.000 0.984 36 S HN 0.752 nan 8.310 nan 0.000 0.474 37 T N 5.093 119.647 114.554 0.000 0.000 2.778 37 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 37 T C 1.677 176.280 174.700 -0.161 0.000 1.050 37 T CA 1.652 63.670 62.100 -0.135 0.000 1.137 37 T CB -0.316 68.493 68.868 -0.099 0.000 0.860 37 T HN 0.570 nan 8.240 nan 0.000 0.468 38 L N 0.812 122.063 121.223 0.046 0.000 1.976 38 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 38 L C 2.228 179.209 176.870 0.184 0.000 1.071 38 L CA 1.637 56.593 54.840 0.192 0.000 0.746 38 L CB -0.689 41.461 42.059 0.151 0.000 0.890 38 L HN 0.237 nan 8.230 nan 0.000 0.432 39 L N -0.515 120.776 121.223 0.113 0.000 2.043 39 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 39 L C 2.481 179.441 176.870 0.151 0.000 1.075 39 L CA 1.391 56.317 54.840 0.143 0.000 0.752 39 L CB -1.396 40.719 42.059 0.093 0.000 0.891 39 L HN 0.535 nan 8.230 nan 0.000 0.432 40 G N -0.854 107.949 108.800 0.004 0.000 2.499 40 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.221 40 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.221 40 G C 1.106 175.948 174.900 -0.095 0.000 1.109 40 G CA 0.481 45.522 45.100 -0.098 0.000 0.749 40 G HN 0.468 nan 8.290 nan 0.000 0.568 41 W N -1.294 120.108 121.300 0.170 0.000 2.425 41 W HA 0.186 4.846 4.660 -0.000 0.000 0.277 41 W C 1.961 178.734 176.519 0.423 0.000 1.231 41 W CA 0.001 57.483 57.345 0.228 0.000 1.248 41 W CB -0.148 29.382 29.460 0.117 0.000 1.117 41 W HN 0.188 nan 8.180 nan 0.000 0.568 42 F N -1.161 119.030 119.950 0.401 0.000 2.592 42 F HA 0.437 4.964 4.527 -0.000 0.000 0.280 42 F C 1.390 177.291 175.800 0.168 0.000 1.083 42 F CA 1.103 59.305 58.000 0.337 0.000 1.365 42 F CB -0.187 39.019 39.000 0.343 0.000 1.100 42 F HN -0.247 nan 8.300 nan 0.000 0.633 43 G N -0.455 108.473 108.800 0.212 0.000 3.058 43 G HA2 0.208 4.168 3.960 -0.000 0.000 0.282 43 G HA3 0.208 4.168 3.960 -0.000 0.000 0.282 43 G C -1.291 173.648 174.900 0.065 0.000 1.248 43 G CA -0.829 44.313 45.100 0.070 0.000 0.822 43 G HN -0.082 nan 8.290 nan 0.000 0.579 44 N N 0.215 118.939 118.700 0.040 0.000 2.479 44 N HA 0.355 5.095 4.740 -0.000 0.000 0.257 44 N C 1.055 176.581 175.510 0.027 0.000 1.232 44 N CA 0.487 53.553 53.050 0.026 0.000 0.920 44 N CB 1.673 40.164 38.487 0.006 0.000 1.105 44 N HN 0.561 nan 8.380 nan 0.000 0.444 45 A N 1.693 124.536 122.820 0.038 0.000 2.095 45 A HA -0.036 4.284 4.320 -0.000 0.000 0.212 45 A C 0.910 178.458 177.584 -0.061 0.000 1.162 45 A CA 0.339 52.410 52.037 0.056 0.000 0.753 45 A CB -0.139 18.948 19.000 0.145 0.000 0.840 45 A HN 0.748 nan 8.150 nan 0.000 0.468 46 Q N 0.500 120.176 119.800 -0.207 0.000 2.304 46 Q HA 0.491 4.831 4.340 -0.000 0.000 0.260 46 Q C -1.249 174.518 176.000 -0.388 0.000 0.965 46 Q CA -0.107 55.296 55.803 -0.667 0.000 0.898 46 Q CB 0.454 28.859 28.738 -0.556 0.000 1.196 46 Q HN 0.482 nan 8.270 nan 0.000 0.402 47 L N 3.865 124.835 121.223 -0.421 0.000 2.329 47 L HA 0.676 5.016 4.340 -0.000 0.000 0.279 47 L C 0.529 177.276 176.870 -0.205 0.000 1.014 47 L CA -0.171 54.537 54.840 -0.221 0.000 0.814 47 L CB 1.623 43.593 42.059 -0.149 0.000 1.257 47 L HN 1.048 nan 8.230 nan 0.000 0.424 48 G N 3.309 112.037 108.800 -0.120 0.000 2.796 48 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.226 48 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.226 48 G C -2.892 171.954 174.900 -0.091 0.000 1.381 48 G CA -0.954 44.095 45.100 -0.085 0.000 0.867 48 G HN 0.445 nan 8.290 nan 0.000 0.552 49 P HA 0.569 nan 4.420 nan 0.000 0.274 49 P C -0.105 177.190 177.300 -0.008 0.000 1.256 49 P CA -0.417 62.666 63.100 -0.028 0.000 0.795 49 P CB 0.992 32.683 31.700 -0.014 0.000 1.038 50 I N 0.070 120.642 120.570 0.005 0.000 2.693 50 I HA 0.360 4.530 4.170 -0.000 0.000 0.303 50 I C -1.008 175.138 176.117 0.050 0.000 1.025 50 I CA -1.419 59.901 61.300 0.033 0.000 1.086 50 I CB 1.692 39.713 38.000 0.035 0.000 1.268 50 I HN 0.208 nan 8.210 nan 0.000 0.440 51 Y N 7.364 127.634 120.300 -0.051 0.000 2.327 51 Y HA 0.468 5.018 4.550 -0.000 0.000 0.336 51 Y C -1.091 174.775 175.900 -0.056 0.000 1.035 51 Y CA -0.391 57.673 58.100 -0.060 0.000 1.165 51 Y CB 0.819 39.227 38.460 -0.088 0.000 1.181 51 Y HN 0.346 nan 8.280 nan 0.000 0.494 52 L N 7.576 128.583 121.223 -0.360 0.000 2.470 52 L HA 0.354 4.694 4.340 -0.000 0.000 0.253 52 L C 0.528 177.210 176.870 -0.314 0.000 1.163 52 L CA -0.178 54.547 54.840 -0.191 0.000 0.932 52 L CB 0.554 42.557 42.059 -0.094 0.000 1.213 52 L HN 0.937 nan 8.230 nan 0.000 0.485 53 G N 0.778 109.431 108.800 -0.246 0.000 2.489 53 G HA2 0.164 4.124 3.960 -0.000 0.000 0.271 53 G HA3 0.164 4.124 3.960 -0.000 0.000 0.271 53 G C 0.877 175.766 174.900 -0.019 0.000 1.427 53 G CA -0.028 45.011 45.100 -0.102 0.000 1.057 53 G HN 0.487 nan 8.290 nan 0.000 0.532 54 S N -0.839 114.869 115.700 0.013 0.000 2.406 54 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 54 S C 2.196 176.826 174.600 0.050 0.000 1.020 54 S CA 0.494 58.707 58.200 0.023 0.000 0.965 54 S CB -0.215 62.998 63.200 0.021 0.000 0.798 54 S HN 0.302 nan 8.310 nan 0.000 0.488 55 L N 1.922 123.178 121.223 0.055 0.000 2.156 55 L HA 0.169 4.509 4.340 -0.000 0.000 0.208 55 L C 2.211 179.126 176.870 0.075 0.000 1.095 55 L CA 1.316 56.193 54.840 0.063 0.000 0.770 55 L CB -1.080 40.999 42.059 0.034 0.000 0.914 55 L HN 0.316 nan 8.230 nan 0.000 0.439 56 G N -1.405 107.429 108.800 0.057 0.000 2.402 56 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 56 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 56 G C 1.505 176.490 174.900 0.141 0.000 1.162 56 G CA 0.920 46.070 45.100 0.083 0.000 0.777 56 G HN 0.271 nan 8.290 nan 0.000 0.539 57 V N 0.700 120.674 119.914 0.099 0.000 2.358 57 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 57 V C 2.663 178.857 176.094 0.165 0.000 1.047 57 V CA 1.492 63.857 62.300 0.107 0.000 1.035 57 V CB -0.406 31.443 31.823 0.043 0.000 0.658 57 V HN 0.335 nan 8.190 nan 0.000 0.452 58 L N 0.145 121.460 121.223 0.154 0.000 2.017 58 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 58 L C 2.648 179.668 176.870 0.250 0.000 1.073 58 L CA 2.484 57.447 54.840 0.204 0.000 0.745 58 L CB -0.921 41.236 42.059 0.162 0.000 0.894 58 L HN 0.334 nan 8.230 nan 0.000 0.432 59 S N -1.145 114.695 115.700 0.233 0.000 2.348 59 S HA -0.158 4.312 4.470 -0.000 0.000 0.221 59 S C 2.020 176.756 174.600 0.227 0.000 1.033 59 S CA 1.540 59.896 58.200 0.260 0.000 1.010 59 S CB -0.379 63.067 63.200 0.410 0.000 0.891 59 S HN 0.344 nan 8.310 nan 0.000 0.442 60 L N 0.734 122.108 121.223 0.251 0.000 1.989 60 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 60 L C 2.177 179.140 176.870 0.154 0.000 1.071 60 L CA 1.953 56.902 54.840 0.181 0.000 0.749 60 L CB -1.201 40.970 42.059 0.187 0.000 0.890 60 L HN 0.445 nan 8.230 nan 0.000 0.431 61 F N -0.634 119.358 119.950 0.069 0.000 2.126 61 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 61 F C 2.778 178.577 175.800 -0.001 0.000 1.096 61 F CA 1.770 59.794 58.000 0.039 0.000 1.255 61 F CB -0.476 38.554 39.000 0.050 0.000 0.997 61 F HN 0.075 nan 8.300 nan 0.000 0.479 62 S N -0.245 115.460 115.700 0.008 0.000 2.371 62 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 62 S C 2.363 176.893 174.600 -0.116 0.000 1.029 62 S CA 1.158 59.320 58.200 -0.064 0.000 0.978 62 S CB -1.121 62.167 63.200 0.148 0.000 0.833 62 S HN 0.555 nan 8.310 nan 0.000 0.466 63 G N 1.691 110.472 108.800 -0.030 0.000 2.440 63 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 63 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 63 G C 1.384 176.328 174.900 0.073 0.000 1.154 63 G CA 0.892 46.012 45.100 0.032 0.000 0.767 63 G HN 0.510 nan 8.290 nan 0.000 0.552 64 L N -0.146 121.020 121.223 -0.096 0.000 2.056 64 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 64 L C 3.098 179.722 176.870 -0.409 0.000 1.078 64 L CA 0.687 55.355 54.840 -0.287 0.000 0.749 64 L CB -0.346 41.576 42.059 -0.227 0.000 0.901 64 L HN 0.150 nan 8.230 nan 0.000 0.433 65 M N -1.276 117.990 119.600 -0.557 0.000 2.159 65 M HA -0.233 4.247 4.480 -0.000 0.000 0.263 65 M C 2.137 178.191 176.300 -0.411 0.000 1.063 65 M CA 1.702 56.557 55.300 -0.742 0.000 1.110 65 M CB -1.011 30.543 32.600 -1.742 0.000 1.374 65 M HN 0.451 nan 8.290 nan 0.000 0.411 66 W N 0.991 122.033 121.300 -0.431 0.000 2.332 66 W HA -0.250 4.410 4.660 -0.000 0.000 0.321 66 W C 1.960 178.268 176.519 -0.351 0.000 1.219 66 W CA 1.601 58.766 57.345 -0.300 0.000 1.277 66 W CB -1.076 28.157 29.460 -0.377 0.000 1.161 66 W HN 0.081 nan 8.180 nan 0.000 0.476 67 F N -0.337 119.232 119.950 -0.636 0.000 2.120 67 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 67 F C 2.213 177.674 175.800 -0.564 0.000 1.095 67 F CA 2.008 59.479 58.000 -0.881 0.000 1.249 67 F CB -1.259 37.249 39.000 -0.821 0.000 0.995 67 F HN -0.182 nan 8.300 nan 0.000 0.480 68 F N -0.619 119.262 119.950 -0.115 0.000 2.367 68 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 68 F C 2.448 178.196 175.800 -0.085 0.000 1.094 68 F CA 0.986 58.931 58.000 -0.090 0.000 1.409 68 F CB -1.747 37.196 39.000 -0.095 0.000 1.064 68 F HN -0.175 nan 8.300 nan 0.000 0.528 69 T N 0.785 115.363 114.554 0.040 0.000 2.746 69 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 69 T C 2.240 176.930 174.700 -0.017 0.000 1.039 69 T CA 1.468 63.595 62.100 0.045 0.000 1.142 69 T CB -0.410 68.505 68.868 0.078 0.000 0.866 69 T HN 0.162 nan 8.240 nan 0.000 0.444 70 I N 1.007 121.432 120.570 -0.241 0.000 2.202 70 I HA -0.062 4.108 4.170 -0.000 0.000 0.242 70 I C 2.912 178.833 176.117 -0.327 0.000 1.091 70 I CA 1.231 62.299 61.300 -0.387 0.000 1.368 70 I CB -0.729 36.819 38.000 -0.753 0.000 1.058 70 I HN 0.296 nan 8.210 nan 0.000 0.410 71 G N 1.439 110.164 108.800 -0.124 0.000 2.446 71 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.217 71 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.217 71 G C 1.509 176.644 174.900 0.391 0.000 1.168 71 G CA 0.705 45.922 45.100 0.195 0.000 0.771 71 G HN 0.164 nan 8.290 nan 0.000 0.551 72 I N -0.041 120.716 120.570 0.312 0.000 2.163 72 I HA -0.120 4.050 4.170 -0.000 0.000 0.243 72 I C 2.337 178.677 176.117 0.370 0.000 1.085 72 I CA -0.103 61.410 61.300 0.356 0.000 1.347 72 I CB -1.349 36.821 38.000 0.283 0.000 1.044 72 I HN 0.452 nan 8.210 nan 0.000 0.408 73 W N 0.955 122.343 121.300 0.147 0.000 2.335 73 W HA -0.306 4.354 4.660 -0.000 0.000 0.311 73 W C 2.428 179.099 176.519 0.252 0.000 1.213 73 W CA 1.352 58.804 57.345 0.179 0.000 1.274 73 W CB -0.373 29.187 29.460 0.167 0.000 1.148 73 W HN 0.038 nan 8.180 nan 0.000 0.498 74 F N -0.259 119.691 119.950 -0.001 0.000 2.043 74 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 74 F C 2.148 177.555 175.800 -0.654 0.000 1.121 74 F CA 1.353 59.072 58.000 -0.467 0.000 1.199 74 F CB -1.848 37.022 39.000 -0.216 0.000 0.968 74 F HN -0.047 nan 8.300 nan 0.000 0.478 75 W N -1.014 120.272 121.300 -0.024 0.000 2.305 75 W HA -0.294 4.365 4.660 -0.000 0.000 0.308 75 W C 2.681 178.669 176.519 -0.885 0.000 1.226 75 W CA 2.058 59.245 57.345 -0.263 0.000 1.253 75 W CB -1.230 28.172 29.460 -0.097 0.000 1.146 75 W HN 0.135 nan 8.180 nan 0.000 0.507 76 Y N 1.026 120.749 120.300 -0.961 0.000 2.145 76 Y HA -0.306 4.244 4.550 -0.000 0.000 0.286 76 Y C 2.428 177.769 175.900 -0.931 0.000 1.145 76 Y CA 2.279 59.599 58.100 -1.300 0.000 1.148 76 Y CB -0.798 37.188 38.460 -0.790 0.000 0.981 76 Y HN -0.003 nan 8.280 nan 0.000 0.507 77 Q N -0.104 119.182 119.800 -0.857 0.000 2.135 77 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 77 Q C 2.139 177.845 176.000 -0.490 0.000 0.981 77 Q CA 1.285 56.668 55.803 -0.700 0.000 0.856 77 Q CB -0.375 28.068 28.738 -0.491 0.000 0.902 77 Q HN 0.615 nan 8.270 nan 0.000 0.425 78 A N 0.398 122.868 122.820 -0.585 0.000 2.252 78 A HA 0.223 4.543 4.320 -0.000 0.000 0.207 78 A C 1.327 178.774 177.584 -0.228 0.000 1.194 78 A CA 0.632 52.521 52.037 -0.246 0.000 0.809 78 A CB -0.659 18.214 19.000 -0.211 0.000 0.814 78 A HN 0.444 nan 8.150 nan 0.000 0.482 79 G N -1.611 106.925 108.800 -0.441 0.000 2.390 79 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.299 79 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.299 79 G C 0.296 175.149 174.900 -0.077 0.000 1.002 79 G CA 0.267 45.163 45.100 -0.340 0.000 0.979 79 G HN 1.132 nan 8.290 nan 0.000 0.513 80 W N -2.496 118.873 121.300 0.115 0.000 4.973 80 W HA -0.204 4.456 4.660 -0.000 0.000 0.350 80 W C 0.663 177.355 176.519 0.288 0.000 1.280 80 W CA 0.429 57.926 57.345 0.254 0.000 0.854 80 W CB -1.787 27.741 29.460 0.113 0.000 2.367 80 W HN 0.671 nan 8.180 nan 0.000 1.511 81 N N 0.841 119.757 118.700 0.360 0.000 2.479 81 N HA 0.251 4.991 4.740 -0.000 0.000 0.261 81 N C -0.949 174.721 175.510 0.265 0.000 0.979 81 N CA -2.081 51.135 53.050 0.277 0.000 0.930 81 N CB 1.774 40.351 38.487 0.150 0.000 1.172 81 N HN -0.251 nan 8.380 nan 0.000 0.499 82 P HA -0.066 nan 4.420 nan 0.000 0.218 82 P C 1.010 178.410 177.300 0.166 0.000 1.149 82 P CA 0.838 64.105 63.100 0.279 0.000 0.817 82 P CB 0.294 32.213 31.700 0.364 0.000 0.785 83 A N 0.354 123.252 122.820 0.129 0.000 1.851 83 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 83 A C 2.484 180.097 177.584 0.049 0.000 1.195 83 A CA 2.353 54.435 52.037 0.075 0.000 0.622 83 A CB -1.730 17.303 19.000 0.056 0.000 0.831 83 A HN 0.061 nan 8.150 nan 0.000 0.444 84 V N -1.226 118.720 119.914 0.054 0.000 2.343 84 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 84 V C 2.302 178.442 176.094 0.076 0.000 1.051 84 V CA 2.160 64.481 62.300 0.034 0.000 1.036 84 V CB -0.990 30.857 31.823 0.040 0.000 0.654 84 V HN 0.615 nan 8.190 nan 0.000 0.451 85 F N -0.066 119.819 119.950 -0.108 0.000 2.126 85 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 85 F C 2.037 177.790 175.800 -0.079 0.000 1.096 85 F CA 1.697 59.574 58.000 -0.205 0.000 1.255 85 F CB -0.137 38.324 39.000 -0.898 0.000 0.997 85 F HN 0.061 nan 8.300 nan 0.000 0.479 86 L N 0.485 121.713 121.223 0.007 0.000 2.072 86 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 86 L C 2.561 179.321 176.870 -0.184 0.000 1.079 86 L CA 1.477 56.271 54.840 -0.077 0.000 0.752 86 L CB -1.349 40.728 42.059 0.029 0.000 0.906 86 L HN 0.140 nan 8.230 nan 0.000 0.436 87 R N -0.177 120.244 120.500 -0.132 0.000 2.080 87 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 87 R C 0.578 176.744 176.300 -0.223 0.000 1.137 87 R CA 1.900 57.909 56.100 -0.152 0.000 0.943 87 R CB 0.006 30.237 30.300 -0.115 0.000 0.846 87 R HN 0.283 nan 8.270 nan 0.000 0.431 88 D N 0.318 120.509 120.400 -0.348 0.000 2.388 88 D HA -0.000 4.640 4.640 -0.000 0.000 0.221 88 D C 1.150 176.874 176.300 -0.959 0.000 1.133 88 D CA -0.094 53.573 54.000 -0.554 0.000 0.831 88 D CB 0.461 40.749 40.800 -0.854 0.000 0.962 88 D HN 0.116 nan 8.370 nan 0.000 0.502 89 L N 0.089 120.908 121.223 -0.673 0.000 2.043 89 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 89 L C 1.430 178.055 176.870 -0.408 0.000 1.075 89 L CA 1.718 56.215 54.840 -0.572 0.000 0.752 89 L CB -0.390 41.377 42.059 -0.487 0.000 0.891 89 L HN 0.001 nan 8.230 nan 0.000 0.432 90 F N -1.746 117.762 119.950 -0.736 0.000 2.710 90 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 90 F C 1.849 176.979 175.800 -1.116 0.000 1.137 90 F CA 0.177 57.523 58.000 -1.090 0.000 1.444 90 F CB -0.973 36.983 39.000 -1.740 0.000 1.111 90 F HN 0.071 nan 8.300 nan 0.000 0.580 91 F N -1.915 117.720 119.950 -0.526 0.000 2.746 91 F HA 0.122 4.648 4.527 -0.000 0.000 0.297 91 F C 0.721 176.317 175.800 -0.340 0.000 1.113 91 F CA -0.335 57.480 58.000 -0.309 0.000 1.367 91 F CB -0.500 38.301 39.000 -0.331 0.000 1.111 91 F HN -0.349 nan 8.300 nan 0.000 0.590 92 F N 0.379 120.151 119.950 -0.297 0.000 2.459 92 F HA 0.383 4.910 4.527 -0.000 0.000 0.346 92 F C 0.689 176.387 175.800 -0.171 0.000 1.128 92 F CA -0.631 57.079 58.000 -0.483 0.000 1.268 92 F CB 0.620 38.751 39.000 -1.448 0.000 1.161 92 F HN -0.377 nan 8.300 nan 0.000 0.583 93 S N 2.518 118.516 115.700 0.497 0.000 2.614 93 S HA 0.513 4.983 4.470 -0.000 0.000 0.275 93 S C -1.736 173.350 174.600 0.810 0.000 1.161 93 S CA -0.645 57.938 58.200 0.639 0.000 0.969 93 S CB 0.805 64.256 63.200 0.417 0.000 1.059 93 S HN 0.513 nan 8.310 nan 0.000 0.482 94 L N 5.106 126.764 121.223 0.726 0.000 2.261 94 L HA 0.595 4.935 4.340 -0.000 0.000 0.289 94 L C -0.384 176.715 176.870 0.382 0.000 1.059 94 L CA 0.342 55.410 54.840 0.380 0.000 0.816 94 L CB 0.625 42.885 42.059 0.334 0.000 1.191 94 L HN 0.594 nan 8.230 nan 0.000 0.431 95 E N 6.908 127.212 120.200 0.174 0.000 2.191 95 E HA 0.485 4.835 4.350 -0.000 0.000 0.274 95 E C -2.473 173.985 176.600 -0.236 0.000 0.948 95 E CA -1.878 54.534 56.400 0.020 0.000 0.802 95 E CB 1.308 31.047 29.700 0.065 0.000 1.137 95 E HN 0.437 nan 8.360 nan 0.000 0.397 96 P HA 0.199 nan 4.420 nan 0.000 0.274 96 P C -2.545 174.538 177.300 -0.360 0.000 1.260 96 P CA -1.369 61.084 63.100 -1.077 0.000 0.793 96 P CB -0.638 30.063 31.700 -1.665 0.000 1.048 97 P HA 0.079 nan 4.420 nan 0.000 0.269 97 P C -0.136 177.227 177.300 0.104 0.000 1.215 97 P CA 0.133 63.251 63.100 0.029 0.000 0.780 97 P CB -0.017 31.759 31.700 0.128 0.000 0.898 98 A N 4.466 127.421 122.820 0.225 0.000 2.475 98 A HA 0.154 4.474 4.320 -0.000 0.000 0.239 98 A C -1.124 176.539 177.584 0.131 0.000 1.087 98 A CA -0.539 51.595 52.037 0.161 0.000 0.779 98 A CB -1.357 17.736 19.000 0.155 0.000 1.036 98 A HN 0.433 nan 8.150 nan 0.000 0.506 99 P HA -0.193 nan 4.420 nan 0.000 0.217 99 P C 0.817 178.102 177.300 -0.024 0.000 1.151 99 P CA 1.845 64.950 63.100 0.009 0.000 0.849 99 P CB 0.035 31.726 31.700 -0.015 0.000 0.787 100 E N -1.786 118.356 120.200 -0.096 0.000 2.160 100 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 100 E C 1.349 177.803 176.600 -0.244 0.000 0.991 100 E CA 1.173 57.435 56.400 -0.229 0.000 0.810 100 E CB -0.937 28.518 29.700 -0.409 0.000 0.742 100 E HN 0.469 nan 8.360 nan 0.000 0.466 101 Y N 0.020 120.336 120.300 0.027 0.000 2.490 101 Y HA 0.193 4.743 4.550 -0.000 0.000 0.281 101 Y C 1.777 177.693 175.900 0.027 0.000 1.174 101 Y CA 0.309 58.438 58.100 0.048 0.000 1.295 101 Y CB -0.276 38.244 38.460 0.099 0.000 1.062 101 Y HN 0.097 nan 8.280 nan 0.000 0.522 102 G N 1.022 109.871 108.800 0.082 0.000 2.672 102 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.324 102 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.324 102 G C 0.757 175.583 174.900 -0.122 0.000 1.286 102 G CA 0.814 45.892 45.100 -0.038 0.000 1.004 102 G HN 0.312 nan 8.290 nan 0.000 0.548 103 L N 1.847 122.916 121.223 -0.258 0.000 2.653 103 L HA 0.329 4.669 4.340 -0.000 0.000 0.231 103 L C 1.852 178.637 176.870 -0.143 0.000 1.153 103 L CA 0.517 55.035 54.840 -0.536 0.000 0.933 103 L CB -0.107 41.590 42.059 -0.603 0.000 1.175 103 L HN 0.653 nan 8.230 nan 0.000 0.473 104 S N -0.529 115.180 115.700 0.015 0.000 2.608 104 S HA 0.163 4.633 4.470 -0.000 0.000 0.261 104 S C 0.286 174.985 174.600 0.165 0.000 1.314 104 S CA -0.136 58.061 58.200 -0.005 0.000 0.992 104 S CB 0.613 63.872 63.200 0.097 0.000 0.935 104 S HN 0.151 nan 8.310 nan 0.000 0.564 105 F N 0.296 120.359 119.950 0.189 0.000 2.684 105 F HA 0.494 5.021 4.527 -0.000 0.000 0.298 105 F C 1.668 177.472 175.800 0.006 0.000 1.120 105 F CA -0.812 57.239 58.000 0.086 0.000 1.332 105 F CB -0.805 38.221 39.000 0.042 0.000 0.986 105 F HN 0.732 nan 8.300 nan 0.000 0.524 106 A N -0.089 122.828 122.820 0.162 0.000 2.251 106 A HA 0.565 4.885 4.320 -0.000 0.000 0.209 106 A C 1.404 178.921 177.584 -0.111 0.000 1.187 106 A CA 0.330 52.417 52.037 0.083 0.000 0.823 106 A CB -0.675 18.426 19.000 0.168 0.000 0.846 106 A HN 0.139 nan 8.150 nan 0.000 0.486 107 A N 1.116 123.713 122.820 -0.373 0.000 2.371 107 A HA 0.579 4.899 4.320 -0.000 0.000 0.257 107 A C -2.326 175.063 177.584 -0.325 0.000 1.089 107 A CA -1.287 50.264 52.037 -0.809 0.000 0.794 107 A CB -0.222 18.235 19.000 -0.905 0.000 1.029 107 A HN 0.238 nan 8.150 nan 0.000 0.488 108 P HA 0.132 nan 4.420 nan 0.000 0.269 108 P C 0.950 178.195 177.300 -0.091 0.000 1.215 108 P CA -0.348 62.701 63.100 -0.085 0.000 0.780 108 P CB 0.408 32.103 31.700 -0.007 0.000 0.898 109 L N 1.185 122.374 121.223 -0.057 0.000 1.990 109 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 109 L C 1.948 178.743 176.870 -0.124 0.000 1.072 109 L CA 1.914 56.713 54.840 -0.070 0.000 0.755 109 L CB -0.665 41.380 42.059 -0.024 0.000 0.889 109 L HN 0.452 nan 8.230 nan 0.000 0.432 110 K N -0.086 120.283 120.400 -0.052 0.000 2.574 110 K HA -0.072 4.248 4.320 -0.000 0.000 0.193 110 K C 0.278 176.812 176.600 -0.110 0.000 1.035 110 K CA 0.674 56.937 56.287 -0.040 0.000 0.982 110 K CB 0.064 32.702 32.500 0.229 0.000 0.795 110 K HN 0.426 nan 8.250 nan 0.000 0.491 111 E N -1.014 119.122 120.200 -0.105 0.000 3.521 111 E HA 0.137 4.487 4.350 -0.000 0.000 0.183 111 E C 0.297 176.844 176.600 -0.089 0.000 0.981 111 E CA -0.157 56.216 56.400 -0.045 0.000 1.349 111 E CB 1.457 31.186 29.700 0.048 0.000 1.102 111 E HN 0.311 nan 8.360 nan 0.000 0.449 112 G N 0.035 108.761 108.800 -0.123 0.000 3.709 112 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.196 112 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.196 112 G C 1.172 176.058 174.900 -0.023 0.000 1.177 112 G CA -0.065 44.993 45.100 -0.069 0.000 0.906 112 G HN 0.333 nan 8.290 nan 0.000 0.416 113 G N 1.233 109.979 108.800 -0.091 0.000 2.476 113 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 113 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 113 G C 1.740 176.596 174.900 -0.073 0.000 1.164 113 G CA 1.624 46.674 45.100 -0.084 0.000 0.768 113 G HN 0.478 nan 8.290 nan 0.000 0.560 114 L N -0.813 120.355 121.223 -0.091 0.000 2.131 114 L HA 0.015 4.355 4.340 -0.000 0.000 0.210 114 L C 2.293 179.155 176.870 -0.014 0.000 1.092 114 L CA 0.990 55.783 54.840 -0.078 0.000 0.759 114 L CB -1.295 40.666 42.059 -0.164 0.000 0.903 114 L HN 0.580 nan 8.230 nan 0.000 0.435 115 W N 0.208 121.430 121.300 -0.129 0.000 2.381 115 W HA -0.190 4.470 4.660 -0.000 0.000 0.301 115 W C 2.362 178.880 176.519 -0.001 0.000 1.205 115 W CA 1.254 58.599 57.345 0.001 0.000 1.285 115 W CB -0.092 29.335 29.460 -0.055 0.000 1.133 115 W HN 0.031 nan 8.180 nan 0.000 0.521 116 L N 0.132 121.400 121.223 0.075 0.000 2.027 116 L HA -0.236 4.104 4.340 -0.000 0.000 0.206 116 L C 2.448 179.157 176.870 -0.268 0.000 1.074 116 L CA 1.533 56.260 54.840 -0.189 0.000 0.745 116 L CB -0.998 40.930 42.059 -0.218 0.000 0.898 116 L HN -0.015 nan 8.230 nan 0.000 0.433 117 I N 0.048 120.489 120.570 -0.215 0.000 2.118 117 I HA -0.372 3.798 4.170 -0.000 0.000 0.241 117 I C 2.846 178.901 176.117 -0.103 0.000 1.070 117 I CA 1.454 62.618 61.300 -0.227 0.000 1.327 117 I CB -0.617 37.309 38.000 -0.124 0.000 1.034 117 I HN 0.249 nan 8.210 nan 0.000 0.405 118 A N 0.359 123.161 122.820 -0.030 0.000 1.883 118 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 118 A C 2.483 180.077 177.584 0.018 0.000 1.186 118 A CA 2.489 54.561 52.037 0.058 0.000 0.624 118 A CB -0.902 17.959 19.000 -0.231 0.000 0.822 118 A HN 0.449 nan 8.150 nan 0.000 0.444 119 S N -1.019 114.551 115.700 -0.216 0.000 2.399 119 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 119 S C 1.629 176.273 174.600 0.073 0.000 1.022 119 S CA 1.351 59.469 58.200 -0.136 0.000 0.983 119 S CB -0.558 62.263 63.200 -0.631 0.000 0.803 119 S HN 0.620 nan 8.310 nan 0.000 0.480 120 F N 2.058 121.889 119.950 -0.198 0.000 2.069 120 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 120 F C 1.707 177.464 175.800 -0.072 0.000 1.113 120 F CA 1.336 59.200 58.000 -0.226 0.000 1.214 120 F CB -0.503 38.207 39.000 -0.483 0.000 0.978 120 F HN 0.102 nan 8.300 nan 0.000 0.474 121 F N 0.036 119.992 119.950 0.010 0.000 2.216 121 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 121 F C 2.580 178.251 175.800 -0.215 0.000 1.085 121 F CA 1.598 59.547 58.000 -0.084 0.000 1.326 121 F CB -0.963 38.078 39.000 0.069 0.000 1.027 121 F HN 0.103 nan 8.300 nan 0.000 0.497 122 M N -1.427 118.086 119.600 -0.146 0.000 2.156 122 M HA -0.168 4.312 4.480 -0.000 0.000 0.264 122 M C 2.266 178.467 176.300 -0.166 0.000 1.067 122 M CA 1.487 56.491 55.300 -0.493 0.000 1.131 122 M CB -0.363 31.722 32.600 -0.859 0.000 1.368 122 M HN 0.160 nan 8.290 nan 0.000 0.416 123 F N 0.479 120.383 119.950 -0.077 0.000 2.095 123 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 123 F C 1.813 177.610 175.800 -0.004 0.000 1.104 123 F CA 1.899 59.915 58.000 0.027 0.000 1.232 123 F CB -0.384 38.460 39.000 -0.260 0.000 0.987 123 F HN -0.085 nan 8.300 nan 0.000 0.475 124 V N 0.530 120.453 119.914 0.016 0.000 2.407 124 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 124 V C 2.698 178.800 176.094 0.014 0.000 1.055 124 V CA 1.698 63.989 62.300 -0.015 0.000 1.049 124 V CB -1.630 30.117 31.823 -0.127 0.000 0.662 124 V HN 0.503 nan 8.190 nan 0.000 0.455 125 A N -0.083 122.708 122.820 -0.048 0.000 1.877 125 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 125 A C 2.396 179.948 177.584 -0.053 0.000 1.186 125 A CA 2.112 54.122 52.037 -0.045 0.000 0.620 125 A CB -0.672 18.233 19.000 -0.158 0.000 0.822 125 A HN 0.334 nan 8.150 nan 0.000 0.443 126 V N -2.336 117.415 119.914 -0.271 0.000 2.307 126 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 126 V C 2.270 178.248 176.094 -0.193 0.000 1.045 126 V CA 1.814 63.877 62.300 -0.396 0.000 1.024 126 V CB -1.045 30.114 31.823 -1.107 0.000 0.651 126 V HN 0.781 nan 8.190 nan 0.000 0.449 127 W N 0.882 122.085 121.300 -0.161 0.000 2.381 127 W HA -0.164 4.496 4.660 -0.000 0.000 0.301 127 W C 2.983 179.592 176.519 0.151 0.000 1.205 127 W CA 1.652 58.948 57.345 -0.081 0.000 1.285 127 W CB -0.441 28.809 29.460 -0.349 0.000 1.133 127 W HN 0.338 nan 8.180 nan 0.000 0.521 128 S N -1.017 114.868 115.700 0.309 0.000 2.402 128 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 128 S C 1.669 176.408 174.600 0.233 0.000 1.021 128 S CA 0.879 59.229 58.200 0.249 0.000 0.974 128 S CB -1.222 62.093 63.200 0.191 0.000 0.800 128 S HN 0.472 nan 8.310 nan 0.000 0.484 129 W N 1.059 122.426 121.300 0.112 0.000 2.381 129 W HA -0.100 4.560 4.660 -0.000 0.000 0.301 129 W C 1.927 178.573 176.519 0.213 0.000 1.205 129 W CA 1.042 58.449 57.345 0.104 0.000 1.285 129 W CB -0.568 28.928 29.460 0.059 0.000 1.133 129 W HN 0.483 nan 8.180 nan 0.000 0.521 130 W N 1.623 123.145 121.300 0.370 0.000 2.317 130 W HA -0.197 4.463 4.660 -0.000 0.000 0.318 130 W C 2.501 179.092 176.519 0.120 0.000 1.227 130 W CA 3.646 61.157 57.345 0.277 0.000 1.269 130 W CB -0.969 28.469 29.460 -0.037 0.000 1.155 130 W HN -0.095 nan 8.180 nan 0.000 0.484 131 G N 0.127 108.962 108.800 0.059 0.000 2.422 131 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 131 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 131 G C 1.610 176.308 174.900 -0.337 0.000 1.146 131 G CA 1.096 46.049 45.100 -0.245 0.000 0.769 131 G HN 0.358 nan 8.290 nan 0.000 0.547 132 R N 0.493 120.812 120.500 -0.302 0.000 2.091 132 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 132 R C 2.841 178.847 176.300 -0.490 0.000 1.136 132 R CA 2.305 58.152 56.100 -0.422 0.000 0.959 132 R CB -0.757 29.170 30.300 -0.621 0.000 0.856 132 R HN 0.469 nan 8.270 nan 0.000 0.437 133 T N -2.079 112.160 114.554 -0.524 0.000 2.833 133 T HA -0.215 4.135 4.350 -0.000 0.000 0.269 133 T C 1.799 176.218 174.700 -0.467 0.000 1.054 133 T CA 1.272 63.096 62.100 -0.459 0.000 1.135 133 T CB -0.530 68.141 68.868 -0.329 0.000 0.869 133 T HN 0.452 nan 8.240 nan 0.000 0.466 134 Y N 1.416 121.290 120.300 -0.710 0.000 2.184 134 Y HA 0.237 4.786 4.550 -0.000 0.000 0.290 134 Y C 2.204 177.832 175.900 -0.453 0.000 1.129 134 Y CA 0.908 58.607 58.100 -0.669 0.000 1.144 134 Y CB -0.288 37.646 38.460 -0.878 0.000 0.995 134 Y HN 0.132 nan 8.280 nan 0.000 0.513 135 L N -0.430 120.686 121.223 -0.178 0.000 2.056 135 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 135 L C 2.529 179.227 176.870 -0.286 0.000 1.078 135 L CA 0.925 55.671 54.840 -0.157 0.000 0.749 135 L CB -0.407 41.568 42.059 -0.140 0.000 0.901 135 L HN 0.125 nan 8.230 nan 0.000 0.433 136 R N 0.154 120.437 120.500 -0.362 0.000 2.105 136 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 136 R C 2.231 178.330 176.300 -0.334 0.000 1.135 136 R CA 1.430 57.293 56.100 -0.396 0.000 0.967 136 R CB -1.067 28.998 30.300 -0.390 0.000 0.861 136 R HN 0.355 nan 8.270 nan 0.000 0.442 137 A N 1.070 123.678 122.820 -0.354 0.000 1.877 137 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 137 A C 2.225 179.625 177.584 -0.307 0.000 1.186 137 A CA 1.566 53.401 52.037 -0.336 0.000 0.620 137 A CB -0.541 18.207 19.000 -0.421 0.000 0.822 137 A HN 0.416 nan 8.150 nan 0.000 0.443 138 Q N -0.535 119.060 119.800 -0.343 0.000 2.096 138 Q HA -0.152 4.187 4.340 -0.000 0.000 0.204 138 Q C 2.126 178.018 176.000 -0.179 0.000 0.982 138 Q CA 1.706 57.358 55.803 -0.251 0.000 0.850 138 Q CB -0.347 28.277 28.738 -0.189 0.000 0.901 138 Q HN 0.602 nan 8.270 nan 0.000 0.422 139 A N 0.342 123.041 122.820 -0.201 0.000 2.015 139 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 139 A C 1.755 179.249 177.584 -0.149 0.000 1.163 139 A CA 0.903 52.836 52.037 -0.174 0.000 0.646 139 A CB -0.287 18.571 19.000 -0.236 0.000 0.806 139 A HN 0.440 nan 8.150 nan 0.000 0.448 140 L N -1.134 119.991 121.223 -0.164 0.000 2.611 140 L HA 0.250 4.590 4.340 -0.000 0.000 0.229 140 L C 1.605 178.408 176.870 -0.111 0.000 1.137 140 L CA 0.456 55.218 54.840 -0.131 0.000 0.901 140 L CB -0.067 41.907 42.059 -0.140 0.000 1.098 140 L HN 0.526 nan 8.230 nan 0.000 0.456 141 G N 0.039 108.771 108.800 -0.114 0.000 2.168 141 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 141 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 141 G C 0.333 175.174 174.900 -0.097 0.000 0.977 141 G CA 0.320 45.364 45.100 -0.093 0.000 0.659 141 G HN 0.304 nan 8.290 nan 0.000 0.533 142 M N 0.483 120.007 119.600 -0.127 0.000 2.283 142 M HA 0.530 5.010 4.480 -0.000 0.000 0.314 142 M C 1.432 177.661 176.300 -0.119 0.000 1.153 142 M CA 0.106 55.336 55.300 -0.118 0.000 1.084 142 M CB 0.609 33.126 32.600 -0.139 0.000 1.468 142 M HN 0.197 nan 8.290 nan 0.000 0.474 143 G N 0.532 109.310 108.800 -0.035 0.000 2.667 143 G HA2 0.165 4.125 3.960 -0.000 0.000 0.250 143 G HA3 0.165 4.125 3.960 -0.000 0.000 0.250 143 G C 0.220 175.096 174.900 -0.040 0.000 1.212 143 G CA -0.551 44.593 45.100 0.073 0.000 0.874 143 G HN 0.635 nan 8.290 nan 0.000 0.561 144 K N -0.313 119.982 120.400 -0.174 0.000 2.493 144 K HA 0.123 4.443 4.320 -0.000 0.000 0.207 144 K C 1.348 177.662 176.600 -0.475 0.000 1.033 144 K CA -0.148 55.825 56.287 -0.524 0.000 1.161 144 K CB 0.093 32.091 32.500 -0.837 0.000 0.873 144 K HN 0.581 nan 8.250 nan 0.000 0.491 145 H N 0.403 119.358 119.070 -0.192 0.000 2.387 145 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 145 H C 1.675 176.951 175.328 -0.087 0.000 1.099 145 H CA 1.976 57.995 56.048 -0.048 0.000 1.315 145 H CB -0.412 29.329 29.762 -0.036 0.000 1.380 145 H HN 0.075 nan 8.280 nan 0.000 0.513 146 T N 0.222 114.763 114.554 -0.022 0.000 2.708 146 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 146 T C 2.379 177.068 174.700 -0.018 0.000 1.037 146 T CA 1.358 63.434 62.100 -0.041 0.000 1.146 146 T CB -0.511 68.291 68.868 -0.110 0.000 0.865 146 T HN 0.529 nan 8.240 nan 0.000 0.435 147 A N 0.434 123.129 122.820 -0.209 0.000 1.930 147 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 147 A C 2.126 179.834 177.584 0.208 0.000 1.175 147 A CA 1.043 52.983 52.037 -0.162 0.000 0.627 147 A CB -1.112 17.500 19.000 -0.646 0.000 0.815 147 A HN 0.731 nan 8.150 nan 0.000 0.443 148 W N -0.299 121.137 121.300 0.226 0.000 2.358 148 W HA -0.049 4.611 4.660 -0.000 0.000 0.303 148 W C 2.730 179.307 176.519 0.097 0.000 1.208 148 W CA 0.621 58.062 57.345 0.160 0.000 1.274 148 W CB -0.082 29.385 29.460 0.011 0.000 1.138 148 W HN 0.390 nan 8.180 nan 0.000 0.515 149 A N 0.145 123.124 122.820 0.264 0.000 1.898 149 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 149 A C 1.743 179.483 177.584 0.261 0.000 1.181 149 A CA 1.336 53.465 52.037 0.154 0.000 0.620 149 A CB -1.193 17.850 19.000 0.072 0.000 0.819 149 A HN 0.338 nan 8.150 nan 0.000 0.442 150 F N 0.344 120.381 119.950 0.146 0.000 2.171 150 F HA -0.127 4.399 4.527 -0.000 0.000 0.300 150 F C 1.724 177.628 175.800 0.174 0.000 1.090 150 F CA 1.178 59.273 58.000 0.158 0.000 1.293 150 F CB -0.614 38.501 39.000 0.192 0.000 1.013 150 F HN 0.174 nan 8.300 nan 0.000 0.486 151 L N -0.173 121.182 121.223 0.219 0.000 2.129 151 L HA -0.209 4.130 4.340 -0.000 0.000 0.212 151 L C 2.742 179.642 176.870 0.051 0.000 1.087 151 L CA 2.103 56.945 54.840 0.004 0.000 0.757 151 L CB -1.301 40.895 42.059 0.229 0.000 0.896 151 L HN 0.286 nan 8.230 nan 0.000 0.434 152 S N -1.401 114.372 115.700 0.123 0.000 2.383 152 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 152 S C 2.116 176.844 174.600 0.214 0.000 1.026 152 S CA 1.025 59.322 58.200 0.161 0.000 0.981 152 S CB -0.232 63.032 63.200 0.107 0.000 0.818 152 S HN 0.578 nan 8.310 nan 0.000 0.472 153 A N 1.149 124.069 122.820 0.166 0.000 1.930 153 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 153 A C 2.051 179.698 177.584 0.104 0.000 1.175 153 A CA 1.138 53.270 52.037 0.159 0.000 0.627 153 A CB -0.642 18.484 19.000 0.209 0.000 0.815 153 A HN 0.610 nan 8.150 nan 0.000 0.443 154 I N -1.326 119.206 120.570 -0.063 0.000 2.361 154 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 154 I C 2.443 178.689 176.117 0.216 0.000 1.133 154 I CA 1.132 62.372 61.300 -0.099 0.000 1.413 154 I CB -0.292 37.308 38.000 -0.667 0.000 1.073 154 I HN 0.755 nan 8.210 nan 0.000 0.424 155 W N 1.771 123.073 121.300 0.003 0.000 2.315 155 W HA -0.325 4.335 4.660 -0.000 0.000 0.323 155 W C 2.349 178.912 176.519 0.073 0.000 1.233 155 W CA 1.411 58.780 57.345 0.041 0.000 1.267 155 W CB -0.389 29.083 29.460 0.020 0.000 1.160 155 W HN 0.150 nan 8.180 nan 0.000 0.474 156 L N 1.174 122.351 121.223 -0.077 0.000 2.042 156 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 156 L C 2.278 179.098 176.870 -0.083 0.000 1.076 156 L CA 2.834 57.553 54.840 -0.202 0.000 0.749 156 L CB -1.657 40.392 42.059 -0.016 0.000 0.893 156 L HN 0.305 nan 8.230 nan 0.000 0.432 157 W N -0.422 120.808 121.300 -0.117 0.000 2.381 157 W HA -0.191 4.469 4.660 -0.000 0.000 0.301 157 W C 2.187 178.724 176.519 0.031 0.000 1.205 157 W CA 1.487 58.794 57.345 -0.063 0.000 1.285 157 W CB -0.259 29.158 29.460 -0.070 0.000 1.133 157 W HN 0.066 nan 8.180 nan 0.000 0.521 158 M N 0.510 119.911 119.600 -0.332 0.000 2.080 158 M HA -0.190 4.290 4.480 -0.000 0.000 0.260 158 M C 1.963 178.134 176.300 -0.215 0.000 1.068 158 M CA 1.568 56.646 55.300 -0.369 0.000 1.109 158 M CB -1.583 30.977 32.600 -0.067 0.000 1.342 158 M HN 0.010 nan 8.290 nan 0.000 0.405 159 V N 0.721 120.420 119.914 -0.359 0.000 2.255 159 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 159 V C 2.530 178.490 176.094 -0.224 0.000 1.051 159 V CA 1.691 63.759 62.300 -0.387 0.000 1.018 159 V CB -0.740 30.674 31.823 -0.682 0.000 0.641 159 V HN 0.403 nan 8.190 nan 0.000 0.445 160 L N 0.083 121.169 121.223 -0.229 0.000 2.046 160 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 160 L C 2.396 179.138 176.870 -0.214 0.000 1.077 160 L CA 1.904 56.634 54.840 -0.184 0.000 0.747 160 L CB -0.776 41.158 42.059 -0.208 0.000 0.896 160 L HN 0.485 nan 8.230 nan 0.000 0.432 161 G N -2.264 106.330 108.800 -0.343 0.000 2.709 161 G HA2 0.027 3.987 3.960 -0.000 0.000 0.208 161 G HA3 0.027 3.987 3.960 -0.000 0.000 0.208 161 G C 0.980 175.428 174.900 -0.752 0.000 1.129 161 G CA 0.075 44.817 45.100 -0.595 0.000 0.793 161 G HN 0.236 nan 8.290 nan 0.000 0.524 162 F N -0.477 119.453 119.950 -0.033 0.000 2.347 162 F HA 0.386 4.913 4.527 -0.000 0.000 0.266 162 F C 2.245 178.084 175.800 0.066 0.000 0.884 162 F CA -0.314 57.754 58.000 0.114 0.000 1.123 162 F CB -0.162 38.860 39.000 0.037 0.000 1.098 162 F HN -0.096 nan 8.300 nan 0.000 0.803 163 I N 0.595 121.260 120.570 0.157 0.000 2.142 163 I HA -0.242 3.928 4.170 -0.000 0.000 0.240 163 I C 2.606 178.737 176.117 0.023 0.000 1.078 163 I CA 1.564 62.909 61.300 0.075 0.000 1.343 163 I CB -0.382 37.637 38.000 0.031 0.000 1.046 163 I HN 0.101 nan 8.210 nan 0.000 0.405 164 R N 0.888 121.386 120.500 -0.004 0.000 2.066 164 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 164 R C -0.423 175.890 176.300 0.021 0.000 1.131 164 R CA 1.442 57.550 56.100 0.012 0.000 0.955 164 R CB -1.061 29.261 30.300 0.037 0.000 0.851 164 R HN 0.190 nan 8.270 nan 0.000 0.432 165 P HA -0.167 nan 4.420 nan 0.000 0.216 165 P C 1.074 178.280 177.300 -0.155 0.000 1.150 165 P CA 1.407 64.499 63.100 -0.013 0.000 0.843 165 P CB -0.019 31.732 31.700 0.086 0.000 0.787 166 I N -1.502 118.977 120.570 -0.151 0.000 2.202 166 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 166 I C 2.286 178.316 176.117 -0.146 0.000 1.091 166 I CA 1.313 62.479 61.300 -0.224 0.000 1.368 166 I CB -0.617 37.315 38.000 -0.115 0.000 1.058 166 I HN -0.108 nan 8.210 nan 0.000 0.410 167 L N -0.215 120.965 121.223 -0.072 0.000 2.083 167 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 167 L C 2.459 179.295 176.870 -0.056 0.000 1.083 167 L CA 1.034 55.845 54.840 -0.049 0.000 0.752 167 L CB -0.419 41.630 42.059 -0.017 0.000 0.899 167 L HN 0.323 nan 8.230 nan 0.000 0.433 168 M N -0.754 118.814 119.600 -0.054 0.000 2.630 168 M HA 0.067 4.547 4.480 -0.000 0.000 0.254 168 M C 1.648 177.897 176.300 -0.084 0.000 1.092 168 M CA 1.110 56.382 55.300 -0.047 0.000 1.087 168 M CB -0.964 31.628 32.600 -0.013 0.000 1.453 168 M HN 0.452 nan 8.290 nan 0.000 0.509 169 G N 1.455 110.174 108.800 -0.136 0.000 2.157 169 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 169 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 169 G C 0.200 174.975 174.900 -0.208 0.000 0.979 169 G CA 0.522 45.522 45.100 -0.166 0.000 0.650 169 G HN 0.712 nan 8.290 nan 0.000 0.529 170 S N -2.293 113.270 115.700 -0.229 0.000 2.543 170 S HA 0.515 4.985 4.470 -0.000 0.000 0.274 170 S C 0.284 174.770 174.600 -0.190 0.000 1.149 170 S CA -0.053 58.008 58.200 -0.232 0.000 0.866 170 S CB 0.431 63.579 63.200 -0.087 0.000 1.111 170 S HN 0.436 nan 8.310 nan 0.000 0.457 171 W N 1.603 122.888 121.300 -0.025 0.000 2.519 171 W HA -0.005 4.655 4.660 -0.000 0.000 0.266 171 W C 2.627 178.990 176.519 -0.261 0.000 1.253 171 W CA 0.662 57.942 57.345 -0.107 0.000 1.274 171 W CB -0.045 29.374 29.460 -0.068 0.000 1.114 171 W HN 0.933 nan 8.180 nan 0.000 0.596 172 S N -0.013 115.710 115.700 0.039 0.000 2.469 172 S HA -0.174 4.295 4.470 -0.000 0.000 0.238 172 S C 1.379 176.002 174.600 0.039 0.000 0.998 172 S CA 1.100 59.286 58.200 -0.023 0.000 0.957 172 S CB -0.284 62.928 63.200 0.019 0.000 0.764 172 S HN 0.249 nan 8.310 nan 0.000 0.514 173 E N 1.534 121.784 120.200 0.083 0.000 2.482 173 E HA 0.302 4.652 4.350 -0.000 0.000 0.196 173 E C 1.030 177.814 176.600 0.306 0.000 1.047 173 E CA 0.486 57.013 56.400 0.211 0.000 0.869 173 E CB -0.199 29.602 29.700 0.167 0.000 0.836 173 E HN 0.733 nan 8.360 nan 0.000 0.520 174 A N 0.884 123.756 122.820 0.085 0.000 2.259 174 A HA 0.354 4.673 4.320 -0.000 0.000 0.278 174 A C 0.321 177.738 177.584 -0.279 0.000 1.107 174 A CA -0.478 51.531 52.037 -0.046 0.000 0.828 174 A CB 0.681 19.688 19.000 0.012 0.000 1.111 174 A HN -0.037 nan 8.150 nan 0.000 0.498 175 V N 2.337 121.932 119.914 -0.533 0.000 2.509 175 V HA 0.338 4.458 4.120 -0.000 0.000 0.284 175 V C -1.912 173.965 176.094 -0.362 0.000 1.047 175 V CA -1.227 60.527 62.300 -0.911 0.000 0.952 175 V CB 1.002 32.225 31.823 -1.001 0.000 0.988 175 V HN 0.851 nan 8.190 nan 0.000 0.469 176 P HA 0.184 nan 4.420 nan 0.000 0.274 176 P C -1.413 175.884 177.300 -0.004 0.000 1.237 176 P CA -0.321 62.779 63.100 -0.001 0.000 0.793 176 P CB 0.474 32.240 31.700 0.109 0.000 0.977 177 Y N 0.499 121.004 120.300 0.342 0.000 2.518 177 Y HA 0.590 5.139 4.550 -0.000 0.000 0.344 177 Y C 1.273 177.363 175.900 0.316 0.000 0.982 177 Y CA 0.429 58.660 58.100 0.218 0.000 1.234 177 Y CB 0.552 39.074 38.460 0.103 0.000 1.114 177 Y HN 0.586 nan 8.280 nan 0.000 0.515 178 G N 2.310 111.326 108.800 0.359 0.000 2.596 178 G HA2 0.282 4.242 3.960 -0.000 0.000 0.296 178 G HA3 0.282 4.242 3.960 -0.000 0.000 0.296 178 G C -0.177 174.836 174.900 0.188 0.000 1.513 178 G CA -0.768 44.559 45.100 0.377 0.000 0.851 178 G HN 0.271 nan 8.290 nan 0.000 0.548 179 I N 0.928 121.524 120.570 0.044 0.000 2.094 179 I HA 0.020 4.190 4.170 -0.000 0.000 0.234 179 I C 2.587 178.809 176.117 0.175 0.000 1.063 179 I CA 1.272 62.519 61.300 -0.088 0.000 1.328 179 I CB -1.017 36.592 38.000 -0.652 0.000 1.058 179 I HN 0.463 nan 8.210 nan 0.000 0.400 180 F N 1.989 121.902 119.950 -0.062 0.000 2.134 180 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 180 F C 3.056 178.900 175.800 0.073 0.000 1.097 180 F CA 1.339 59.307 58.000 -0.052 0.000 1.264 180 F CB -1.746 37.139 39.000 -0.192 0.000 1.001 180 F HN 0.200 nan 8.300 nan 0.000 0.479 181 S N -0.143 115.743 115.700 0.310 0.000 2.399 181 S HA -0.243 4.227 4.470 -0.000 0.000 0.231 181 S C 2.076 176.872 174.600 0.327 0.000 1.022 181 S CA 1.477 59.852 58.200 0.292 0.000 0.983 181 S CB -1.132 62.239 63.200 0.285 0.000 0.803 181 S HN 0.658 nan 8.310 nan 0.000 0.480 182 H N 1.923 121.103 119.070 0.184 0.000 2.470 182 H HA 0.198 4.754 4.556 -0.000 0.000 0.289 182 H C 1.891 177.354 175.328 0.225 0.000 1.033 182 H CA 1.028 57.177 56.048 0.170 0.000 1.331 182 H CB -0.633 29.174 29.762 0.074 0.000 1.414 182 H HN 0.446 nan 8.280 nan 0.000 0.545 183 L N 0.810 121.975 121.223 -0.098 0.000 2.027 183 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 183 L C 2.337 179.233 176.870 0.043 0.000 1.074 183 L CA 1.431 56.208 54.840 -0.105 0.000 0.745 183 L CB -0.379 41.659 42.059 -0.035 0.000 0.898 183 L HN 0.144 nan 8.230 nan 0.000 0.433 184 D N -0.580 119.885 120.400 0.109 0.000 2.104 184 D HA -0.251 4.389 4.640 -0.000 0.000 0.194 184 D C 1.716 178.111 176.300 0.158 0.000 0.994 184 D CA 1.235 55.301 54.000 0.110 0.000 0.830 184 D CB -0.393 40.483 40.800 0.127 0.000 0.959 184 D HN 0.400 nan 8.370 nan 0.000 0.452 185 W N 1.757 123.090 121.300 0.055 0.000 2.318 185 W HA -0.269 4.390 4.660 -0.000 0.000 0.313 185 W C 2.301 178.875 176.519 0.091 0.000 1.221 185 W CA 2.606 59.998 57.345 0.079 0.000 1.266 185 W CB -0.462 29.051 29.460 0.088 0.000 1.150 185 W HN -0.112 nan 8.180 nan 0.000 0.496 186 T N 0.086 114.864 114.554 0.374 0.000 2.746 186 T HA -0.283 4.067 4.350 -0.000 0.000 0.267 186 T C 1.391 176.111 174.700 0.034 0.000 1.039 186 T CA 1.723 63.943 62.100 0.200 0.000 1.142 186 T CB -0.717 68.244 68.868 0.156 0.000 0.866 186 T HN 0.282 nan 8.240 nan 0.000 0.444 187 N N 1.613 120.322 118.700 0.014 0.000 2.058 187 N HA -0.122 4.617 4.740 -0.000 0.000 0.191 187 N C 1.780 177.257 175.510 -0.055 0.000 1.037 187 N CA 1.404 54.437 53.050 -0.029 0.000 0.848 187 N CB -0.378 38.093 38.487 -0.026 0.000 1.021 187 N HN 0.129 nan 8.380 nan 0.000 0.422 188 N N -0.200 118.456 118.700 -0.074 0.000 2.104 188 N HA -0.170 4.569 4.740 -0.000 0.000 0.190 188 N C 1.497 176.898 175.510 -0.182 0.000 1.024 188 N CA 0.780 53.753 53.050 -0.128 0.000 0.853 188 N CB -0.676 37.731 38.487 -0.135 0.000 1.008 188 N HN 0.321 nan 8.380 nan 0.000 0.424 189 F N 1.321 121.023 119.950 -0.414 0.000 2.120 189 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 189 F C 2.727 178.496 175.800 -0.051 0.000 1.095 189 F CA 1.618 59.403 58.000 -0.359 0.000 1.249 189 F CB -0.454 38.146 39.000 -0.666 0.000 0.995 189 F HN -0.015 nan 8.300 nan 0.000 0.480 190 S N 0.100 115.855 115.700 0.092 0.000 2.355 190 S HA -0.139 4.331 4.470 -0.000 0.000 0.222 190 S C 2.173 176.749 174.600 -0.039 0.000 1.031 190 S CA 1.342 59.561 58.200 0.031 0.000 0.993 190 S CB -0.574 62.577 63.200 -0.081 0.000 0.859 190 S HN 0.422 nan 8.310 nan 0.000 0.453 191 L N 1.057 122.228 121.223 -0.085 0.000 2.013 191 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 191 L C 2.479 179.267 176.870 -0.136 0.000 1.073 191 L CA 1.374 56.158 54.840 -0.094 0.000 0.753 191 L CB -0.648 41.352 42.059 -0.099 0.000 0.890 191 L HN 0.251 nan 8.230 nan 0.000 0.432 192 V N -1.324 118.442 119.914 -0.246 0.000 2.809 192 V HA -0.220 3.900 4.120 -0.000 0.000 0.256 192 V C 1.205 176.969 176.094 -0.551 0.000 1.080 192 V CA 1.352 63.413 62.300 -0.398 0.000 1.102 192 V CB -0.762 30.757 31.823 -0.507 0.000 0.705 192 V HN 0.477 nan 8.190 nan 0.000 0.475 193 H N -0.393 118.545 119.070 -0.219 0.000 2.507 193 H HA 0.439 4.994 4.556 -0.000 0.000 0.294 193 H C 1.531 176.904 175.328 0.075 0.000 1.064 193 H CA 0.499 56.469 56.048 -0.131 0.000 1.138 193 H CB 0.126 29.774 29.762 -0.190 0.000 1.515 193 H HN 0.367 nan 8.280 nan 0.000 0.547 194 G N 1.617 110.482 108.800 0.109 0.000 2.160 194 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.251 194 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.251 194 G C -0.307 174.797 174.900 0.340 0.000 1.008 194 G CA 0.186 45.404 45.100 0.198 0.000 0.724 194 G HN 0.640 nan 8.290 nan 0.000 0.514 195 N N -2.384 116.456 118.700 0.233 0.000 4.028 195 N HA -0.122 4.617 4.740 -0.000 0.000 0.278 195 N C 0.729 176.309 175.510 0.116 0.000 2.141 195 N CA 0.665 53.802 53.050 0.145 0.000 2.619 195 N CB -1.115 37.520 38.487 0.247 0.000 0.444 195 N HN 0.472 nan 8.380 nan 0.000 0.549 196 L N 4.009 125.130 121.223 -0.169 0.000 2.362 196 L HA 0.146 4.486 4.340 -0.000 0.000 0.219 196 L C 1.809 178.440 176.870 -0.398 0.000 1.134 196 L CA 1.121 55.744 54.840 -0.363 0.000 0.807 196 L CB -0.574 41.114 42.059 -0.618 0.000 0.927 196 L HN 0.618 nan 8.230 nan 0.000 0.447 197 F N -1.657 118.093 119.950 -0.333 0.000 2.373 197 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 197 F C 1.687 177.329 175.800 -0.263 0.000 1.080 197 F CA 0.701 58.530 58.000 -0.286 0.000 1.417 197 F CB -1.026 37.767 39.000 -0.345 0.000 1.070 197 F HN 0.163 nan 8.300 nan 0.000 0.546 198 Y N -1.474 118.963 120.300 0.227 0.000 2.466 198 Y HA 0.118 4.668 4.550 -0.000 0.000 0.272 198 Y C 0.938 176.922 175.900 0.139 0.000 1.169 198 Y CA -0.617 57.646 58.100 0.272 0.000 1.285 198 Y CB -0.571 38.145 38.460 0.427 0.000 1.078 198 Y HN -0.160 nan 8.280 nan 0.000 0.523 199 N N 2.690 121.294 118.700 -0.160 0.000 2.408 199 N HA 0.065 4.804 4.740 -0.000 0.000 0.257 199 N C -1.814 173.479 175.510 -0.360 0.000 1.064 199 N CA -2.211 50.334 53.050 -0.843 0.000 0.952 199 N CB 1.347 38.989 38.487 -1.409 0.000 1.093 199 N HN -0.012 nan 8.380 nan 0.000 0.490 200 P HA -0.101 nan 4.420 nan 0.000 0.218 200 P C 1.132 178.257 177.300 -0.292 0.000 1.149 200 P CA 1.092 64.072 63.100 -0.200 0.000 0.817 200 P CB 0.034 31.624 31.700 -0.183 0.000 0.785 201 F N -0.586 119.263 119.950 -0.168 0.000 2.234 201 F HA -0.137 4.389 4.527 -0.000 0.000 0.299 201 F C 2.852 178.629 175.800 -0.038 0.000 1.087 201 F CA 1.181 59.138 58.000 -0.071 0.000 1.340 201 F CB -1.343 37.612 39.000 -0.074 0.000 1.031 201 F HN 0.108 nan 8.300 nan 0.000 0.500 202 H N -0.066 118.983 119.070 -0.036 0.000 2.357 202 H HA -0.068 4.487 4.556 -0.000 0.000 0.301 202 H C 2.405 177.719 175.328 -0.023 0.000 1.082 202 H CA 1.487 57.517 56.048 -0.031 0.000 1.342 202 H CB -0.483 29.223 29.762 -0.093 0.000 1.389 202 H HN 0.317 nan 8.280 nan 0.000 0.511 203 G N 1.145 109.956 108.800 0.018 0.000 2.440 203 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 203 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 203 G C 2.047 176.854 174.900 -0.155 0.000 1.154 203 G CA 0.689 45.749 45.100 -0.066 0.000 0.767 203 G HN 0.347 nan 8.290 nan 0.000 0.552 204 L N 0.351 121.513 121.223 -0.101 0.000 2.046 204 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 204 L C 3.124 179.977 176.870 -0.027 0.000 1.077 204 L CA 1.239 56.022 54.840 -0.095 0.000 0.747 204 L CB -0.424 41.693 42.059 0.098 0.000 0.896 204 L HN 0.311 nan 8.230 nan 0.000 0.432 205 S N 0.135 115.868 115.700 0.056 0.000 2.359 205 S HA -0.176 4.293 4.470 -0.000 0.000 0.224 205 S C 1.969 176.510 174.600 -0.098 0.000 1.035 205 S CA 1.313 59.562 58.200 0.081 0.000 1.018 205 S CB -0.233 62.969 63.200 0.003 0.000 0.876 205 S HN 0.273 nan 8.310 nan 0.000 0.448 206 I N 1.495 121.883 120.570 -0.304 0.000 2.208 206 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 206 I C 2.719 178.517 176.117 -0.532 0.000 1.097 206 I CA 1.174 62.172 61.300 -0.504 0.000 1.363 206 I CB -0.559 37.088 38.000 -0.587 0.000 1.051 206 I HN 0.354 nan 8.210 nan 0.000 0.413 207 A N 0.831 123.400 122.820 -0.418 0.000 1.908 207 A HA -0.216 4.103 4.320 -0.000 0.000 0.218 207 A C 2.028 179.418 177.584 -0.324 0.000 1.181 207 A CA 1.729 53.527 52.037 -0.398 0.000 0.627 207 A CB -0.909 17.779 19.000 -0.519 0.000 0.818 207 A HN 0.348 nan 8.150 nan 0.000 0.445 208 F N -1.040 118.908 119.950 -0.004 0.000 2.259 208 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 208 F C 1.973 177.816 175.800 0.072 0.000 1.088 208 F CA 0.891 58.926 58.000 0.060 0.000 1.358 208 F CB -0.658 38.392 39.000 0.084 0.000 1.040 208 F HN 0.231 nan 8.300 nan 0.000 0.505 209 L N -0.940 120.379 121.223 0.160 0.000 2.005 209 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 209 L C 2.260 179.271 176.870 0.235 0.000 1.072 209 L CA 1.849 56.783 54.840 0.157 0.000 0.744 209 L CB -1.078 41.022 42.059 0.069 0.000 0.895 209 L HN 0.031 nan 8.230 nan 0.000 0.433 210 Y N 0.204 120.546 120.300 0.069 0.000 2.181 210 Y HA -0.074 4.476 4.550 -0.000 0.000 0.288 210 Y C 2.587 178.528 175.900 0.068 0.000 1.146 210 Y CA 0.822 58.953 58.100 0.053 0.000 1.164 210 Y CB -1.679 36.791 38.460 0.016 0.000 0.982 210 Y HN 0.264 nan 8.280 nan 0.000 0.515 211 G N -1.142 107.797 108.800 0.231 0.000 2.432 211 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 211 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 211 G C 1.948 176.959 174.900 0.186 0.000 1.135 211 G CA 1.201 46.407 45.100 0.176 0.000 0.767 211 G HN 0.392 nan 8.290 nan 0.000 0.550 212 S N 0.881 116.713 115.700 0.219 0.000 2.382 212 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 212 S C 2.758 177.492 174.600 0.224 0.000 1.027 212 S CA 1.148 59.473 58.200 0.208 0.000 0.991 212 S CB -0.275 63.053 63.200 0.212 0.000 0.823 212 S HN 0.589 nan 8.310 nan 0.000 0.469 213 A N 1.510 124.455 122.820 0.209 0.000 1.872 213 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 213 A C 2.091 179.768 177.584 0.155 0.000 1.187 213 A CA 1.244 53.392 52.037 0.184 0.000 0.614 213 A CB -0.824 18.262 19.000 0.143 0.000 0.826 213 A HN 0.405 nan 8.150 nan 0.000 0.442 214 L N -0.608 120.691 121.223 0.126 0.000 1.997 214 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 214 L C 2.236 179.157 176.870 0.084 0.000 1.074 214 L CA 2.387 57.280 54.840 0.088 0.000 0.763 214 L CB -0.685 41.414 42.059 0.066 0.000 0.890 214 L HN 0.335 nan 8.230 nan 0.000 0.434 215 L N -1.814 119.463 121.223 0.090 0.000 2.093 215 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 215 L C 2.188 179.162 176.870 0.173 0.000 1.085 215 L CA 1.632 56.500 54.840 0.046 0.000 0.755 215 L CB -0.883 41.187 42.059 0.018 0.000 0.904 215 L HN 0.330 nan 8.230 nan 0.000 0.435 216 F N -0.168 119.825 119.950 0.071 0.000 2.335 216 F HA 0.154 4.681 4.527 -0.000 0.000 0.296 216 F C 2.323 178.177 175.800 0.091 0.000 1.091 216 F CA 0.466 58.530 58.000 0.107 0.000 1.399 216 F CB -0.834 38.231 39.000 0.108 0.000 1.067 216 F HN 0.154 nan 8.300 nan 0.000 0.520 217 A N 0.266 123.235 122.820 0.249 0.000 1.877 217 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 217 A C 2.335 180.011 177.584 0.153 0.000 1.186 217 A CA 1.884 53.997 52.037 0.128 0.000 0.620 217 A CB -0.732 18.323 19.000 0.092 0.000 0.822 217 A HN 0.365 nan 8.150 nan 0.000 0.443 218 M N -1.873 117.828 119.600 0.169 0.000 2.065 218 M HA -0.206 4.273 4.480 -0.000 0.000 0.259 218 M C 2.329 178.772 176.300 0.239 0.000 1.069 218 M CA 2.253 57.674 55.300 0.202 0.000 1.110 218 M CB -0.541 32.025 32.600 -0.057 0.000 1.328 218 M HN 0.721 nan 8.290 nan 0.000 0.405 219 H N -0.306 118.834 119.070 0.116 0.000 2.333 219 H HA -0.002 4.554 4.556 -0.000 0.000 0.302 219 H C 1.968 177.400 175.328 0.174 0.000 1.075 219 H CA 2.107 58.225 56.048 0.117 0.000 1.348 219 H CB -0.617 29.191 29.762 0.077 0.000 1.393 219 H HN 0.303 nan 8.280 nan 0.000 0.509 220 G N -0.065 108.831 108.800 0.160 0.000 2.422 220 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.218 220 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.218 220 G C 1.901 176.748 174.900 -0.087 0.000 1.146 220 G CA 0.898 45.982 45.100 -0.027 0.000 0.769 220 G HN 0.613 nan 8.290 nan 0.000 0.547 221 A N 0.209 123.011 122.820 -0.030 0.000 1.933 221 A HA 0.006 4.325 4.320 -0.000 0.000 0.218 221 A C 2.521 180.046 177.584 -0.099 0.000 1.175 221 A CA 2.400 54.398 52.037 -0.067 0.000 0.628 221 A CB -0.830 18.150 19.000 -0.032 0.000 0.814 221 A HN 0.293 nan 8.150 nan 0.000 0.444 222 T N 0.410 114.939 114.554 -0.042 0.000 2.701 222 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 222 T C 1.821 176.475 174.700 -0.076 0.000 1.040 222 T CA 1.371 63.446 62.100 -0.042 0.000 1.147 222 T CB -0.261 68.725 68.868 0.197 0.000 0.865 222 T HN 0.288 nan 8.240 nan 0.000 0.426 223 I N 1.264 121.758 120.570 -0.127 0.000 2.226 223 I HA -0.090 4.079 4.170 -0.000 0.000 0.245 223 I C 2.383 178.444 176.117 -0.094 0.000 1.100 223 I CA 1.274 62.504 61.300 -0.117 0.000 1.374 223 I CB -1.302 36.572 38.000 -0.210 0.000 1.057 223 I HN 0.271 nan 8.210 nan 0.000 0.413 224 L N 0.614 121.763 121.223 -0.125 0.000 2.046 224 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 224 L C 2.776 179.570 176.870 -0.126 0.000 1.077 224 L CA 1.416 56.174 54.840 -0.136 0.000 0.747 224 L CB -0.747 41.212 42.059 -0.166 0.000 0.896 224 L HN 0.194 nan 8.230 nan 0.000 0.432 225 A N -0.052 122.692 122.820 -0.126 0.000 2.032 225 A HA -0.152 4.168 4.320 -0.000 0.000 0.221 225 A C 1.835 179.401 177.584 -0.030 0.000 1.165 225 A CA 1.926 53.895 52.037 -0.114 0.000 0.645 225 A CB -0.634 18.256 19.000 -0.183 0.000 0.807 225 A HN 0.401 nan 8.150 nan 0.000 0.453 226 V N -2.277 117.649 119.914 0.020 0.000 3.214 226 V HA 0.178 4.297 4.120 -0.000 0.000 0.330 226 V C 1.436 177.588 176.094 0.095 0.000 1.403 226 V CA 0.775 63.190 62.300 0.191 0.000 1.143 226 V CB -0.677 31.294 31.823 0.246 0.000 1.098 226 V HN 0.528 nan 8.190 nan 0.000 0.463 227 S N 2.141 117.818 115.700 -0.038 0.000 2.447 227 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 227 S C 1.942 176.462 174.600 -0.134 0.000 1.006 227 S CA 1.195 59.359 58.200 -0.060 0.000 0.957 227 S CB -0.687 62.468 63.200 -0.076 0.000 0.773 227 S HN 0.867 nan 8.310 nan 0.000 0.507 228 R N 0.572 120.888 120.500 -0.307 0.000 2.328 228 R HA 0.035 4.375 4.340 -0.000 0.000 0.207 228 R C 0.199 176.084 176.300 -0.691 0.000 1.056 228 R CA 0.976 56.776 56.100 -0.499 0.000 1.016 228 R CB -0.703 29.223 30.300 -0.623 0.000 0.872 228 R HN 0.574 nan 8.270 nan 0.000 0.471 229 F N 0.104 120.052 119.950 -0.002 0.000 2.735 229 F HA 0.471 4.998 4.527 -0.000 0.000 0.304 229 F C 1.112 176.914 175.800 0.003 0.000 1.119 229 F CA -0.279 57.722 58.000 0.001 0.000 1.280 229 F CB 1.153 40.151 39.000 -0.002 0.000 0.994 229 F HN 0.156 nan 8.300 nan 0.000 0.520 230 G N 0.627 109.475 108.800 0.080 0.000 2.160 230 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.251 230 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.251 230 G C 1.440 176.386 174.900 0.078 0.000 1.008 230 G CA 0.219 45.359 45.100 0.066 0.000 0.724 230 G HN 0.699 nan 8.290 nan 0.000 0.514 231 G N 1.147 110.006 108.800 0.099 0.000 2.503 231 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.221 231 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.221 231 G C 1.497 176.435 174.900 0.063 0.000 1.131 231 G CA 1.668 46.822 45.100 0.091 0.000 0.756 231 G HN 0.929 nan 8.290 nan 0.000 0.572 232 E N 0.853 121.074 120.200 0.035 0.000 2.418 232 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 232 E C 1.076 177.697 176.600 0.036 0.000 1.026 232 E CA 0.026 56.443 56.400 0.029 0.000 0.862 232 E CB -0.213 29.487 29.700 -0.001 0.000 0.799 232 E HN 0.328 nan 8.360 nan 0.000 0.518 233 R N 1.697 122.219 120.500 0.036 0.000 4.154 233 R HA 0.111 4.451 4.340 -0.000 0.000 0.186 233 R C 0.833 177.155 176.300 0.036 0.000 1.750 233 R CA 0.009 56.126 56.100 0.028 0.000 1.431 233 R CB 0.038 30.354 30.300 0.026 0.000 1.383 233 R HN 0.280 nan 8.270 nan 0.000 0.788 234 E N 0.709 120.932 120.200 0.039 0.000 2.107 234 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 234 E C 1.389 178.003 176.600 0.024 0.000 0.982 234 E CA 0.906 57.342 56.400 0.060 0.000 0.809 234 E CB 0.092 29.843 29.700 0.085 0.000 0.756 234 E HN 0.460 nan 8.360 nan 0.000 0.459 235 L N 0.794 122.009 121.223 -0.015 0.000 2.046 235 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 235 L C 2.538 179.407 176.870 -0.002 0.000 1.077 235 L CA 1.208 56.033 54.840 -0.025 0.000 0.747 235 L CB -0.163 41.870 42.059 -0.043 0.000 0.896 235 L HN 0.083 nan 8.230 nan 0.000 0.432 236 E N -0.579 119.625 120.200 0.007 0.000 2.216 236 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 236 E C 2.227 178.841 176.600 0.024 0.000 0.988 236 E CA 0.717 57.125 56.400 0.013 0.000 0.834 236 E CB 0.122 29.830 29.700 0.013 0.000 0.772 236 E HN 0.315 nan 8.360 nan 0.000 0.479 237 Q N -0.117 119.705 119.800 0.036 0.000 2.167 237 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 237 Q C 2.252 178.279 176.000 0.046 0.000 0.970 237 Q CA 0.958 56.789 55.803 0.046 0.000 0.855 237 Q CB -0.022 28.754 28.738 0.064 0.000 0.911 237 Q HN 0.447 nan 8.270 nan 0.000 0.438 238 I N 0.465 121.061 120.570 0.043 0.000 2.252 238 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 238 I C 2.235 178.369 176.117 0.028 0.000 1.102 238 I CA 1.129 62.453 61.300 0.040 0.000 1.385 238 I CB -0.247 37.771 38.000 0.031 0.000 1.064 238 I HN 0.051 nan 8.210 nan 0.000 0.414 239 A N -0.985 121.847 122.820 0.020 0.000 2.067 239 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 239 A C 0.670 178.264 177.584 0.017 0.000 1.156 239 A CA 1.154 53.200 52.037 0.015 0.000 0.683 239 A CB -0.011 18.994 19.000 0.008 0.000 0.808 239 A HN 0.396 nan 8.150 nan 0.000 0.455 240 D N -1.116 119.297 120.400 0.021 0.000 2.445 240 D HA 0.121 4.761 4.640 -0.000 0.000 0.236 240 D C -0.509 175.805 176.300 0.023 0.000 1.315 240 D CA -0.408 53.604 54.000 0.020 0.000 0.924 240 D CB 0.088 40.898 40.800 0.017 0.000 1.447 240 D HN 0.213 nan 8.370 nan 0.000 0.532 241 R N 1.372 121.886 120.500 0.023 0.000 2.523 241 R HA 0.387 4.727 4.340 -0.000 0.000 0.281 241 R C 0.362 176.670 176.300 0.014 0.000 0.969 241 R CA 0.613 56.727 56.100 0.022 0.000 1.093 241 R CB 0.363 30.674 30.300 0.020 0.000 0.917 241 R HN 0.408 nan 8.270 nan 0.000 0.408 242 G N 0.566 109.374 108.800 0.014 0.000 2.735 242 G HA2 0.092 4.052 3.960 -0.000 0.000 0.301 242 G HA3 0.092 4.052 3.960 -0.000 0.000 0.301 242 G C 0.444 175.322 174.900 -0.036 0.000 1.279 242 G CA -0.378 44.725 45.100 0.004 0.000 1.019 242 G HN 0.572 nan 8.290 nan 0.000 0.497 243 T N -0.375 114.134 114.554 -0.075 0.000 2.915 243 T HA -0.032 4.318 4.350 -0.000 0.000 0.269 243 T C 2.564 177.072 174.700 -0.320 0.000 1.071 243 T CA 2.265 64.237 62.100 -0.213 0.000 1.132 243 T CB -0.526 68.163 68.868 -0.298 0.000 0.878 243 T HN 0.662 nan 8.240 nan 0.000 0.479 244 A N 1.237 123.968 122.820 -0.149 0.000 1.873 244 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 244 A C 2.723 180.293 177.584 -0.023 0.000 1.193 244 A CA 2.194 54.229 52.037 -0.004 0.000 0.629 244 A CB -1.419 17.675 19.000 0.158 0.000 0.826 244 A HN 0.646 nan 8.150 nan 0.000 0.447 245 A N -0.608 122.211 122.820 -0.001 0.000 1.969 245 A HA -0.127 4.192 4.320 -0.000 0.000 0.218 245 A C 1.919 179.490 177.584 -0.020 0.000 1.169 245 A CA 1.571 53.620 52.037 0.019 0.000 0.635 245 A CB -0.460 18.563 19.000 0.040 0.000 0.810 245 A HN 0.674 nan 8.150 nan 0.000 0.445 246 E N -0.460 119.696 120.200 -0.073 0.000 2.072 246 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 246 E C 2.269 178.770 176.600 -0.165 0.000 0.982 246 E CA 0.844 57.183 56.400 -0.102 0.000 0.803 246 E CB -0.141 29.494 29.700 -0.108 0.000 0.755 246 E HN 0.552 nan 8.360 nan 0.000 0.453 247 R N 0.764 121.134 120.500 -0.215 0.000 2.092 247 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 247 R C 2.350 178.554 176.300 -0.160 0.000 1.119 247 R CA 1.050 57.000 56.100 -0.249 0.000 0.970 247 R CB -0.248 29.866 30.300 -0.311 0.000 0.864 247 R HN 0.084 nan 8.270 nan 0.000 0.440 248 A N 1.424 124.205 122.820 -0.066 0.000 1.858 248 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 248 A C 2.407 180.061 177.584 0.117 0.000 1.190 248 A CA 1.644 53.707 52.037 0.043 0.000 0.617 248 A CB -0.813 18.245 19.000 0.096 0.000 0.827 248 A HN 0.372 nan 8.150 nan 0.000 0.443 249 A N -0.512 122.338 122.820 0.051 0.000 1.908 249 A HA -0.090 4.229 4.320 -0.000 0.000 0.218 249 A C 2.160 179.707 177.584 -0.061 0.000 1.181 249 A CA 1.680 53.747 52.037 0.050 0.000 0.627 249 A CB -0.575 18.433 19.000 0.012 0.000 0.818 249 A HN 0.477 nan 8.150 nan 0.000 0.445 250 L N -2.320 118.747 121.223 -0.260 0.000 2.270 250 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 250 L C 2.317 178.717 176.870 -0.784 0.000 1.104 250 L CA 0.720 55.170 54.840 -0.649 0.000 0.804 250 L CB -0.355 41.158 42.059 -0.910 0.000 0.937 250 L HN 0.521 nan 8.230 nan 0.000 0.450 251 F N -0.063 119.533 119.950 -0.589 0.000 2.095 251 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 251 F C 1.894 177.391 175.800 -0.505 0.000 1.104 251 F CA 1.777 59.437 58.000 -0.568 0.000 1.232 251 F CB -0.296 38.313 39.000 -0.653 0.000 0.987 251 F HN 0.001 nan 8.300 nan 0.000 0.475 252 W N 0.246 121.478 121.300 -0.112 0.000 2.453 252 W HA 0.050 4.710 4.660 -0.000 0.000 0.289 252 W C 2.780 179.154 176.519 -0.243 0.000 1.215 252 W CA 0.853 58.096 57.345 -0.171 0.000 1.297 252 W CB -0.398 28.991 29.460 -0.118 0.000 1.113 252 W HN -0.154 nan 8.180 nan 0.000 0.551 253 R N -0.201 120.291 120.500 -0.013 0.000 2.073 253 R HA -0.190 4.150 4.340 -0.000 0.000 0.234 253 R C 1.918 178.312 176.300 0.156 0.000 1.134 253 R CA 2.020 58.149 56.100 0.048 0.000 0.952 253 R CB -0.705 29.616 30.300 0.034 0.000 0.850 253 R HN 0.128 nan 8.270 nan 0.000 0.433 254 W N 0.348 121.564 121.300 -0.140 0.000 2.402 254 W HA -0.018 4.641 4.660 -0.000 0.000 0.286 254 W C 2.144 178.527 176.519 -0.227 0.000 1.221 254 W CA 1.012 58.252 57.345 -0.175 0.000 1.257 254 W CB -1.029 28.301 29.460 -0.217 0.000 1.120 254 W HN 0.145 nan 8.180 nan 0.000 0.551 255 T N 0.579 115.052 114.554 -0.135 0.000 2.735 255 T HA -0.101 4.248 4.350 -0.000 0.000 0.256 255 T C 1.685 176.387 174.700 0.002 0.000 1.042 255 T CA 1.802 63.791 62.100 -0.185 0.000 1.147 255 T CB -0.299 68.279 68.868 -0.484 0.000 0.865 255 T HN 0.195 nan 8.240 nan 0.000 0.421 256 M N -0.637 119.004 119.600 0.069 0.000 2.347 256 M HA 0.592 5.072 4.480 -0.000 0.000 0.302 256 M C 1.283 177.720 176.300 0.228 0.000 1.051 256 M CA 0.244 55.628 55.300 0.141 0.000 0.988 256 M CB 0.908 33.593 32.600 0.143 0.000 1.475 256 M HN 0.308 nan 8.290 nan 0.000 0.530 257 G N 2.168 111.080 108.800 0.187 0.000 2.176 257 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 257 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 257 G C -0.220 174.903 174.900 0.372 0.000 0.979 257 G CA 0.542 45.794 45.100 0.252 0.000 0.641 257 G HN 0.848 nan 8.290 nan 0.000 0.530 258 F N -0.409 119.599 119.950 0.096 0.000 2.741 258 F HA 0.773 5.300 4.527 -0.000 0.000 0.313 258 F C -0.838 175.021 175.800 0.100 0.000 1.153 258 F CA -1.233 56.819 58.000 0.087 0.000 0.931 258 F CB 0.741 39.781 39.000 0.068 0.000 1.335 258 F HN 0.411 nan 8.300 nan 0.000 0.460 259 N N 1.101 119.796 118.700 -0.010 0.000 3.106 259 N HA 0.742 5.482 4.740 -0.000 0.000 0.253 259 N C -1.872 173.680 175.510 0.071 0.000 1.506 259 N CA -0.622 52.385 53.050 -0.072 0.000 0.876 259 N CB 1.817 40.327 38.487 0.039 0.000 1.452 259 N HN 1.102 nan 8.380 nan 0.000 0.542 260 A N -0.162 122.688 122.820 0.050 0.000 2.373 260 A HA 0.811 5.131 4.320 -0.000 0.000 0.291 260 A C 0.081 177.736 177.584 0.119 0.000 1.171 260 A CA -0.230 51.886 52.037 0.132 0.000 0.922 260 A CB 0.632 19.670 19.000 0.064 0.000 1.400 260 A HN 0.854 nan 8.150 nan 0.000 0.474 261 T N -2.746 111.885 114.554 0.128 0.000 2.949 261 T HA 0.437 4.787 4.350 -0.000 0.000 0.287 261 T C 1.056 175.822 174.700 0.110 0.000 1.034 261 T CA -0.710 61.453 62.100 0.106 0.000 1.018 261 T CB 0.828 69.755 68.868 0.098 0.000 1.135 261 T HN 0.353 nan 8.240 nan 0.000 0.532 262 M N 0.256 119.929 119.600 0.121 0.000 2.117 262 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 262 M C 2.177 178.622 176.300 0.242 0.000 1.065 262 M CA 1.746 57.149 55.300 0.172 0.000 1.114 262 M CB -1.150 31.543 32.600 0.155 0.000 1.361 262 M HN 0.950 nan 8.290 nan 0.000 0.408 263 E N -0.555 119.749 120.200 0.174 0.000 2.046 263 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 263 E C 1.979 178.684 176.600 0.174 0.000 0.982 263 E CA 1.136 57.645 56.400 0.183 0.000 0.800 263 E CB -0.155 29.601 29.700 0.093 0.000 0.756 263 E HN 0.507 nan 8.360 nan 0.000 0.449 264 G N 1.357 110.230 108.800 0.122 0.000 2.448 264 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 264 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 264 G C 1.509 176.488 174.900 0.132 0.000 1.127 264 G CA 0.649 45.812 45.100 0.104 0.000 0.766 264 G HN 0.322 nan 8.290 nan 0.000 0.552 265 I N 0.758 121.361 120.570 0.056 0.000 2.361 265 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 265 I C 2.262 178.206 176.117 -0.289 0.000 1.133 265 I CA 0.998 62.240 61.300 -0.097 0.000 1.413 265 I CB -0.427 37.364 38.000 -0.348 0.000 1.073 265 I HN 0.301 nan 8.210 nan 0.000 0.424 266 H N -0.432 118.605 119.070 -0.056 0.000 2.495 266 H HA 0.076 4.632 4.556 -0.000 0.000 0.287 266 H C 2.240 177.557 175.328 -0.019 0.000 1.033 266 H CA 1.013 57.007 56.048 -0.091 0.000 1.307 266 H CB -0.066 29.640 29.762 -0.093 0.000 1.401 266 H HN 0.287 nan 8.280 nan 0.000 0.555 267 R N -0.409 120.150 120.500 0.099 0.000 2.062 267 R HA -0.102 4.238 4.340 -0.000 0.000 0.226 267 R C 1.616 178.025 176.300 0.180 0.000 1.125 267 R CA 1.189 57.364 56.100 0.126 0.000 0.966 267 R CB -0.389 29.951 30.300 0.067 0.000 0.861 267 R HN 0.365 nan 8.270 nan 0.000 0.433 268 W N 1.397 122.753 121.300 0.092 0.000 2.304 268 W HA -0.264 4.396 4.660 -0.000 0.000 0.315 268 W C 2.626 179.167 176.519 0.038 0.000 1.233 268 W CA 1.375 58.760 57.345 0.067 0.000 1.261 268 W CB -0.405 29.040 29.460 -0.026 0.000 1.150 268 W HN 0.212 nan 8.180 nan 0.000 0.494 269 A N 0.130 123.047 122.820 0.161 0.000 1.845 269 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 269 A C 1.920 179.512 177.584 0.013 0.000 1.195 269 A CA 1.817 53.847 52.037 -0.013 0.000 0.616 269 A CB -1.157 17.709 19.000 -0.223 0.000 0.832 269 A HN 0.351 nan 8.150 nan 0.000 0.443 270 I N -2.108 118.457 120.570 -0.008 0.000 2.264 270 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 270 I C 2.265 178.301 176.117 -0.134 0.000 1.111 270 I CA 1.516 62.754 61.300 -0.104 0.000 1.382 270 I CB -0.092 37.801 38.000 -0.177 0.000 1.060 270 I HN 0.619 nan 8.210 nan 0.000 0.418 271 W N -0.264 121.040 121.300 0.007 0.000 2.453 271 W HA -0.163 4.497 4.660 -0.000 0.000 0.289 271 W C 2.427 178.913 176.519 -0.055 0.000 1.215 271 W CA 0.753 58.078 57.345 -0.034 0.000 1.297 271 W CB -0.270 29.153 29.460 -0.061 0.000 1.113 271 W HN 0.148 nan 8.180 nan 0.000 0.551 272 M N 1.086 120.842 119.600 0.260 0.000 2.080 272 M HA -0.118 4.362 4.480 -0.000 0.000 0.260 272 M C 2.140 178.536 176.300 0.160 0.000 1.068 272 M CA 2.471 57.923 55.300 0.255 0.000 1.109 272 M CB -0.973 31.797 32.600 0.283 0.000 1.342 272 M HN -0.049 nan 8.290 nan 0.000 0.405 273 A N -0.824 122.063 122.820 0.111 0.000 1.835 273 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 273 A C 2.198 179.814 177.584 0.053 0.000 1.199 273 A CA 2.196 54.286 52.037 0.088 0.000 0.615 273 A CB -1.463 17.568 19.000 0.051 0.000 0.838 273 A HN 0.378 nan 8.150 nan 0.000 0.444 274 V N 0.064 119.974 119.914 -0.006 0.000 2.568 274 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 274 V C 2.405 178.496 176.094 -0.005 0.000 1.072 274 V CA 1.910 64.194 62.300 -0.026 0.000 1.084 274 V CB -0.609 31.101 31.823 -0.187 0.000 0.676 274 V HN 0.538 nan 8.190 nan 0.000 0.469 275 L N -1.183 119.981 121.223 -0.099 0.000 2.395 275 L HA -0.051 4.289 4.340 -0.000 0.000 0.218 275 L C 2.253 179.064 176.870 -0.098 0.000 1.130 275 L CA 0.216 54.882 54.840 -0.290 0.000 0.826 275 L CB -0.341 41.067 42.059 -1.085 0.000 0.941 275 L HN 0.191 nan 8.230 nan 0.000 0.451 276 V N 0.233 120.188 119.914 0.068 0.000 2.219 276 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 276 V C 2.614 178.813 176.094 0.174 0.000 1.053 276 V CA 2.739 65.155 62.300 0.194 0.000 1.009 276 V CB -1.040 30.887 31.823 0.174 0.000 0.636 276 V HN 0.666 nan 8.190 nan 0.000 0.445 277 T N -2.487 112.164 114.554 0.162 0.000 3.067 277 T HA 0.102 4.451 4.350 -0.000 0.000 0.261 277 T C 1.785 176.668 174.700 0.305 0.000 1.110 277 T CA 0.650 62.867 62.100 0.195 0.000 1.113 277 T CB -0.186 68.793 68.868 0.186 0.000 0.917 277 T HN 0.297 nan 8.240 nan 0.000 0.499 278 L N 1.895 123.277 121.223 0.265 0.000 1.988 278 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 278 L C 3.345 180.416 176.870 0.336 0.000 1.071 278 L CA 1.879 56.898 54.840 0.298 0.000 0.744 278 L CB -1.030 41.092 42.059 0.105 0.000 0.893 278 L HN 0.467 nan 8.230 nan 0.000 0.433 279 T N -3.098 111.620 114.554 0.274 0.000 2.821 279 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 279 T C 1.943 176.812 174.700 0.282 0.000 1.046 279 T CA 0.952 63.266 62.100 0.357 0.000 1.139 279 T CB -1.030 68.128 68.868 0.483 0.000 0.871 279 T HN 0.380 nan 8.240 nan 0.000 0.454 280 G N 1.470 110.407 108.800 0.229 0.000 2.446 280 G HA2 0.006 3.966 3.960 -0.000 0.000 0.217 280 G HA3 0.006 3.966 3.960 -0.000 0.000 0.217 280 G C 1.762 176.699 174.900 0.061 0.000 1.168 280 G CA 0.712 45.894 45.100 0.137 0.000 0.771 280 G HN 0.676 nan 8.290 nan 0.000 0.551 281 G N 0.554 109.385 108.800 0.051 0.000 2.448 281 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 281 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 281 G C 1.738 176.566 174.900 -0.119 0.000 1.127 281 G CA 0.682 45.631 45.100 -0.250 0.000 0.766 281 G HN 0.462 nan 8.290 nan 0.000 0.552 282 I N 1.076 121.701 120.570 0.090 0.000 2.233 282 I HA -0.017 4.152 4.170 -0.000 0.000 0.243 282 I C 3.102 179.078 176.117 -0.234 0.000 1.093 282 I CA 0.938 62.163 61.300 -0.126 0.000 1.380 282 I CB -0.444 37.227 38.000 -0.548 0.000 1.067 282 I HN 0.210 nan 8.210 nan 0.000 0.413 283 G N 1.622 110.322 108.800 -0.168 0.000 2.513 283 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 283 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 283 G C 1.558 176.502 174.900 0.073 0.000 1.160 283 G CA 0.838 45.936 45.100 -0.004 0.000 0.767 283 G HN 0.204 nan 8.290 nan 0.000 0.571 284 I N 0.320 120.906 120.570 0.027 0.000 2.286 284 I HA -0.025 4.145 4.170 -0.000 0.000 0.245 284 I C 2.622 178.774 176.117 0.058 0.000 1.104 284 I CA 0.525 61.855 61.300 0.050 0.000 1.397 284 I CB -1.223 36.719 38.000 -0.098 0.000 1.072 284 I HN 0.129 nan 8.210 nan 0.000 0.417 285 L N 0.897 122.098 121.223 -0.036 0.000 2.079 285 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 285 L C 2.282 179.170 176.870 0.031 0.000 1.081 285 L CA 1.781 56.603 54.840 -0.030 0.000 0.752 285 L CB -0.691 41.342 42.059 -0.042 0.000 0.896 285 L HN 0.136 nan 8.230 nan 0.000 0.433 286 L N -1.217 120.046 121.223 0.067 0.000 2.313 286 L HA -0.015 4.325 4.340 -0.000 0.000 0.214 286 L C 0.858 177.765 176.870 0.061 0.000 1.119 286 L CA -0.005 54.884 54.840 0.082 0.000 0.809 286 L CB -0.376 41.782 42.059 0.164 0.000 0.933 286 L HN 0.065 nan 8.230 nan 0.000 0.449 287 S N 0.274 116.051 115.700 0.129 0.000 2.455 287 S HA 0.372 4.842 4.470 -0.000 0.000 0.278 287 S C 1.120 175.611 174.600 -0.182 0.000 1.216 287 S CA 0.371 58.550 58.200 -0.034 0.000 1.055 287 S CB 0.926 64.099 63.200 -0.047 0.000 0.939 287 S HN 0.547 nan 8.310 nan 0.000 0.494 288 G N 3.060 111.789 108.800 -0.118 0.000 2.234 288 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 288 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 288 G C 0.960 175.853 174.900 -0.012 0.000 0.987 288 G CA 0.848 45.962 45.100 0.025 0.000 0.625 288 G HN 0.805 nan 8.290 nan 0.000 0.532 289 T N -2.811 111.725 114.554 -0.030 0.000 2.983 289 T HA 0.413 4.763 4.350 -0.000 0.000 0.250 289 T C 1.998 176.673 174.700 -0.041 0.000 1.037 289 T CA 1.833 63.918 62.100 -0.024 0.000 1.142 289 T CB 0.278 69.142 68.868 -0.008 0.000 0.876 289 T HN 0.596 nan 8.240 nan 0.000 0.455 290 V N 0.094 119.964 119.914 -0.073 0.000 3.371 290 V HA 0.386 4.505 4.120 -0.000 0.000 0.246 290 V C 0.011 176.001 176.094 -0.174 0.000 1.303 290 V CA -0.076 62.172 62.300 -0.088 0.000 1.156 290 V CB 1.370 33.157 31.823 -0.061 0.000 0.929 290 V HN 0.319 nan 8.190 nan 0.000 0.459 291 V N 1.047 120.765 119.914 -0.328 0.000 2.409 291 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 291 V C 0.106 175.937 176.094 -0.437 0.000 1.017 291 V CA -0.415 61.556 62.300 -0.548 0.000 0.841 291 V CB 1.595 32.581 31.823 -1.394 0.000 1.003 291 V HN 0.240 nan 8.190 nan 0.000 0.426 292 D N 2.258 122.512 120.400 -0.244 0.000 2.289 292 D HA 0.032 4.672 4.640 -0.000 0.000 0.207 292 D C 0.660 176.878 176.300 -0.137 0.000 0.966 292 D CA 1.055 54.977 54.000 -0.129 0.000 0.868 292 D CB 0.328 41.071 40.800 -0.095 0.000 0.943 292 D HN 0.488 nan 8.370 nan 0.000 0.514 293 N N -0.553 118.024 118.700 -0.204 0.000 2.549 293 N HA 0.013 4.752 4.740 -0.000 0.000 0.290 293 N C -0.298 175.203 175.510 -0.014 0.000 1.122 293 N CA -0.428 52.587 53.050 -0.059 0.000 0.885 293 N CB 0.457 38.958 38.487 0.023 0.000 1.455 293 N HN -0.122 nan 8.380 nan 0.000 0.521 294 W N 1.955 123.385 121.300 0.217 0.000 2.436 294 W HA -0.059 4.601 4.660 -0.000 0.000 0.284 294 W C 1.758 178.481 176.519 0.339 0.000 1.225 294 W CA 0.335 57.855 57.345 0.291 0.000 1.271 294 W CB -0.255 29.360 29.460 0.259 0.000 1.114 294 W HN 0.665 nan 8.180 nan 0.000 0.559 295 Y N 0.926 121.382 120.300 0.261 0.000 2.097 295 Y HA -0.324 4.226 4.550 -0.000 0.000 0.282 295 Y C 2.255 178.141 175.900 -0.023 0.000 1.152 295 Y CA 2.159 60.146 58.100 -0.189 0.000 1.136 295 Y CB -0.939 37.350 38.460 -0.285 0.000 0.975 295 Y HN -0.219 nan 8.280 nan 0.000 0.498 296 V N -0.675 119.234 119.914 -0.008 0.000 2.332 296 V HA -0.320 3.799 4.120 -0.000 0.000 0.248 296 V C 2.110 178.199 176.094 -0.008 0.000 1.055 296 V CA 2.063 64.311 62.300 -0.087 0.000 1.038 296 V CB -1.138 30.701 31.823 0.027 0.000 0.651 296 V HN 0.720 nan 8.190 nan 0.000 0.450 297 W N 1.357 122.637 121.300 -0.034 0.000 2.355 297 W HA -0.090 4.570 4.660 -0.000 0.000 0.309 297 W C 2.378 179.003 176.519 0.178 0.000 1.206 297 W CA 1.917 59.321 57.345 0.098 0.000 1.284 297 W CB -0.792 28.667 29.460 -0.002 0.000 1.145 297 W HN 0.253 nan 8.180 nan 0.000 0.502 298 G N -0.184 108.862 108.800 0.410 0.000 2.485 298 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.221 298 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.221 298 G C 1.401 176.218 174.900 -0.138 0.000 1.115 298 G CA 1.099 46.307 45.100 0.181 0.000 0.751 298 G HN 0.331 nan 8.290 nan 0.000 0.567 299 Q N -0.006 119.638 119.800 -0.261 0.000 2.389 299 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 299 Q C 1.390 177.208 176.000 -0.303 0.000 0.944 299 Q CA 0.415 56.035 55.803 -0.304 0.000 0.908 299 Q CB 0.128 28.634 28.738 -0.386 0.000 1.002 299 Q HN 0.545 nan 8.270 nan 0.000 0.493 300 N N -0.303 118.157 118.700 -0.401 0.000 2.184 300 N HA 0.045 4.785 4.740 -0.000 0.000 0.206 300 N C -0.494 174.408 175.510 -1.014 0.000 1.151 300 N CA 0.174 52.852 53.050 -0.621 0.000 0.878 300 N CB 0.647 38.749 38.487 -0.641 0.000 1.014 300 N HN 0.251 nan 8.380 nan 0.000 0.512 301 H N -0.436 118.317 119.070 -0.528 0.000 2.806 301 H HA 0.396 4.951 4.556 -0.000 0.000 0.218 301 H C 0.444 175.512 175.328 -0.433 0.000 1.392 301 H CA 0.054 55.732 56.048 -0.617 0.000 1.358 301 H CB 0.584 29.581 29.762 -1.275 0.000 1.944 301 H HN 0.217 nan 8.280 nan 0.000 0.530 302 G N 0.000 108.690 108.800 -0.184 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 302 G CA 0.000 45.051 45.100 -0.082 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925