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 2d5f_1_A DATA FIRST_RESID 7 DATA SEQUENCE NEcQLNNLNA LEPDHRVESE GGLIETWNSQ HPELQcAGVT VSKRTLNRNG DATA SEQUENCE LHLPSYSPYP QMIIVVQGKG AIGFAFPGcP ETFEKPXXXX XXXXXXXXXQ DATA SEQUENCE LQDSHQKIRH FNEGDVLVIP PGVPYWTYNT GDEPVVAISL LDTSNFNNQL DATA SEQUENCE DQNPRVFYLA GNPDIEHPET MQXXXXXXXX XXXXXXXXXX XXXEGGSVLS DATA SEQUENCE GFSKHFLAQS FNTNEDTAEK LRSPDDERKQ IVTVEGGLSV ISPKWXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXGVEENI cTMKLHENIA RPSRADFYNP KAGRISTLNS DATA SEQUENCE LTLPALRQFG LSAQYVVLYR NGIYSPHWNL NANSVIYVTR GKGRVRVVNX DATA SEQUENCE QGNAVFDGEL RRGQLLVVPQ NFVVAEQGGE QGLEYVVFKT HHNAVSSYIK DATA SEQUENCE DVFRAIPSEV LSNSYNLGQS QVRQLKYQGN SGPLVNP 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.526 175.510 0.026 0.000 1.280 7 N CA 0.000 53.066 53.050 0.026 0.000 0.885 7 N CB 0.000 38.502 38.487 0.026 0.000 1.341 8 E N 0.214 120.425 120.200 0.020 0.000 2.267 8 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 8 E C 0.772 177.379 176.600 0.012 0.000 0.998 8 E CA 1.044 57.453 56.400 0.015 0.000 0.830 8 E CB 0.027 29.731 29.700 0.007 0.000 0.751 8 E HN 0.426 nan 8.360 nan 0.000 0.491 9 c N 0.296 118.905 118.600 0.015 0.000 2.906 9 c HA 0.089 4.659 4.570 -0.000 0.000 0.274 9 c C 1.240 175.373 174.090 0.073 0.000 1.257 9 c CA -0.553 55.781 56.329 0.008 0.000 1.695 9 c CB -0.679 41.817 42.510 -0.024 0.000 1.958 9 c HN 0.346 nan 8.230 nan 0.000 0.619 10 Q N 1.638 121.482 119.800 0.074 0.000 3.159 10 Q HA 0.290 4.630 4.340 -0.000 0.000 0.280 10 Q C -0.761 175.294 176.000 0.092 0.000 1.403 10 Q CA 0.247 56.106 55.803 0.093 0.000 0.957 10 Q CB -0.320 28.454 28.738 0.060 0.000 1.729 10 Q HN 0.630 nan 8.270 nan 0.000 0.551 11 L N 1.688 122.988 121.223 0.128 0.000 2.282 11 L HA 0.303 4.643 4.340 -0.000 0.000 0.288 11 L C 0.990 177.944 176.870 0.139 0.000 1.033 11 L CA -0.561 54.349 54.840 0.116 0.000 0.807 11 L CB 1.066 43.185 42.059 0.100 0.000 1.209 11 L HN 0.391 nan 8.230 nan 0.000 0.423 12 N N 2.313 121.069 118.700 0.093 0.000 2.336 12 N HA 0.024 4.763 4.740 -0.000 0.000 0.189 12 N C -0.422 175.136 175.510 0.081 0.000 1.113 12 N CA 0.280 53.375 53.050 0.075 0.000 0.858 12 N CB 0.466 38.979 38.487 0.043 0.000 0.970 12 N HN 0.666 nan 8.380 nan 0.000 0.471 13 N N 0.118 118.877 118.700 0.099 0.000 2.308 13 N HA 0.201 4.941 4.740 -0.000 0.000 0.283 13 N C -2.043 173.547 175.510 0.132 0.000 1.105 13 N CA -0.383 52.731 53.050 0.106 0.000 0.840 13 N CB 1.409 39.943 38.487 0.078 0.000 1.633 13 N HN -0.179 nan 8.380 nan 0.000 0.476 14 L N 2.337 123.671 121.223 0.184 0.000 2.386 14 L HA 0.519 4.859 4.340 -0.000 0.000 0.271 14 L C -0.401 176.645 176.870 0.294 0.000 0.993 14 L CA -0.486 54.469 54.840 0.192 0.000 0.819 14 L CB 1.460 43.631 42.059 0.187 0.000 1.294 14 L HN 0.567 nan 8.230 nan 0.000 0.414 15 N N 0.927 119.730 118.700 0.172 0.000 2.384 15 N HA 0.779 5.519 4.740 -0.000 0.000 0.301 15 N C -0.862 174.699 175.510 0.086 0.000 1.133 15 N CA -0.775 52.391 53.050 0.193 0.000 0.853 15 N CB 1.836 40.390 38.487 0.111 0.000 1.241 15 N HN 0.700 nan 8.380 nan 0.000 0.502 16 A N 1.975 124.891 122.820 0.160 0.000 2.320 16 A HA 0.478 4.798 4.320 -0.000 0.000 0.287 16 A C -0.506 177.112 177.584 0.057 0.000 1.181 16 A CA -0.268 51.787 52.037 0.031 0.000 0.831 16 A CB -0.200 18.871 19.000 0.118 0.000 1.102 16 A HN 0.567 nan 8.150 nan 0.000 0.513 17 L N 2.190 123.451 121.223 0.062 0.000 2.334 17 L HA 0.603 4.943 4.340 -0.000 0.000 0.273 17 L C 0.201 177.338 176.870 0.445 0.000 1.013 17 L CA -0.434 54.495 54.840 0.149 0.000 0.816 17 L CB 1.799 43.889 42.059 0.051 0.000 1.278 17 L HN 0.751 nan 8.230 nan 0.000 0.431 18 E N 1.450 121.799 120.200 0.248 0.000 2.336 18 E HA 0.429 4.779 4.350 -0.000 0.000 0.267 18 E C -2.546 173.699 176.600 -0.592 0.000 0.906 18 E CA -2.122 54.303 56.400 0.042 0.000 0.781 18 E CB 2.032 31.735 29.700 0.004 0.000 1.261 18 E HN 0.294 nan 8.360 nan 0.000 0.436 19 P HA -0.073 nan 4.420 nan 0.000 0.266 19 P C -0.608 176.443 177.300 -0.414 0.000 1.186 19 P CA 0.563 62.997 63.100 -1.110 0.000 0.767 19 P CB 0.471 31.608 31.700 -0.939 0.000 0.820 20 D N -0.912 119.367 120.400 -0.202 0.000 2.479 20 D HA 0.086 4.725 4.640 -0.000 0.000 0.221 20 D C 0.187 176.506 176.300 0.032 0.000 1.104 20 D CA 0.719 54.701 54.000 -0.030 0.000 0.849 20 D CB -0.196 40.651 40.800 0.080 0.000 1.072 20 D HN 0.461 nan 8.370 nan 0.000 0.502 21 H N 0.781 119.788 119.070 -0.104 0.000 2.821 21 H HA 0.618 5.174 4.556 -0.000 0.000 0.373 21 H C -0.841 174.423 175.328 -0.107 0.000 1.165 21 H CA -0.861 55.136 56.048 -0.084 0.000 1.154 21 H CB 1.477 31.203 29.762 -0.060 0.000 1.765 21 H HN -0.170 nan 8.280 nan 0.000 0.549 22 R N 2.431 122.426 120.500 -0.842 0.000 2.698 22 R HA 0.676 5.016 4.340 -0.000 0.000 0.275 22 R C -2.059 173.868 176.300 -0.621 0.000 1.001 22 R CA -1.137 54.626 56.100 -0.562 0.000 0.896 22 R CB 1.547 31.666 30.300 -0.302 0.000 1.218 22 R HN 0.276 nan 8.270 nan 0.000 0.462 23 V N 2.490 122.200 119.914 -0.339 0.000 2.409 23 V HA 0.251 4.370 4.120 -0.000 0.000 0.290 23 V C -0.379 175.631 176.094 -0.141 0.000 1.017 23 V CA -0.759 61.416 62.300 -0.207 0.000 0.841 23 V CB 1.630 33.380 31.823 -0.121 0.000 1.003 23 V HN 0.731 nan 8.190 nan 0.000 0.426 24 E N 3.364 123.494 120.200 -0.116 0.000 2.200 24 E HA 0.523 4.873 4.350 -0.000 0.000 0.283 24 E C -0.125 176.432 176.600 -0.071 0.000 1.015 24 E CA -0.103 56.246 56.400 -0.086 0.000 0.819 24 E CB 2.015 31.671 29.700 -0.073 0.000 1.081 24 E HN 0.738 nan 8.360 nan 0.000 0.397 25 S N 0.921 116.583 115.700 -0.063 0.000 2.709 25 S HA 0.195 4.664 4.470 -0.000 0.000 0.302 25 S C 0.973 175.550 174.600 -0.038 0.000 1.127 25 S CA -0.843 57.325 58.200 -0.055 0.000 0.905 25 S CB 2.114 65.276 63.200 -0.063 0.000 1.151 25 S HN 0.635 nan 8.310 nan 0.000 0.510 26 E N 0.620 120.803 120.200 -0.028 0.000 2.058 26 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 26 E C 1.415 178.011 176.600 -0.007 0.000 0.997 26 E CA 1.585 57.976 56.400 -0.015 0.000 0.801 26 E CB -0.827 28.868 29.700 -0.009 0.000 0.746 26 E HN 0.867 nan 8.360 nan 0.000 0.450 27 G N -0.622 108.178 108.800 -0.001 0.000 3.277 27 G HA2 0.436 4.396 3.960 -0.000 0.000 0.243 27 G HA3 0.436 4.396 3.960 -0.000 0.000 0.243 27 G C 0.152 175.051 174.900 -0.002 0.000 1.107 27 G CA 0.253 45.359 45.100 0.010 0.000 0.771 27 G HN 0.496 nan 8.290 nan 0.000 0.544 28 G N -0.849 107.939 108.800 -0.020 0.000 2.427 28 G HA2 0.502 4.462 3.960 -0.000 0.000 0.306 28 G HA3 0.502 4.462 3.960 -0.000 0.000 0.306 28 G C -2.397 172.473 174.900 -0.050 0.000 1.280 28 G CA -0.604 44.477 45.100 -0.032 0.000 0.837 28 G HN 0.611 nan 8.290 nan 0.000 0.482 29 L N -0.433 120.755 121.223 -0.058 0.000 2.445 29 L HA 0.850 5.189 4.340 -0.000 0.000 0.262 29 L C -1.314 175.509 176.870 -0.079 0.000 0.974 29 L CA -0.765 54.032 54.840 -0.071 0.000 0.822 29 L CB 1.996 44.019 42.059 -0.060 0.000 1.339 29 L HN 0.539 nan 8.230 nan 0.000 0.409 30 I N 3.416 123.929 120.570 -0.096 0.000 2.439 30 I HA 0.411 4.581 4.170 -0.000 0.000 0.285 30 I C -0.813 175.243 176.117 -0.103 0.000 1.021 30 I CA -0.461 60.791 61.300 -0.081 0.000 1.091 30 I CB 1.883 39.838 38.000 -0.076 0.000 1.242 30 I HN 0.603 nan 8.210 nan 0.000 0.439 31 E N 4.527 124.681 120.200 -0.076 0.000 2.171 31 E HA 0.496 4.845 4.350 -0.000 0.000 0.271 31 E C -0.666 175.896 176.600 -0.064 0.000 0.916 31 E CA -0.646 55.676 56.400 -0.129 0.000 0.774 31 E CB 2.277 31.869 29.700 -0.180 0.000 1.128 31 E HN 0.615 nan 8.360 nan 0.000 0.403 32 T N -0.911 113.615 114.554 -0.046 0.000 2.924 32 T HA 0.438 4.788 4.350 -0.000 0.000 0.291 32 T C -0.657 174.119 174.700 0.128 0.000 1.045 32 T CA -0.913 61.270 62.100 0.138 0.000 1.015 32 T CB 1.019 69.958 68.868 0.118 0.000 1.103 32 T HN 0.370 nan 8.240 nan 0.000 0.496 33 W N 2.017 123.406 121.300 0.148 0.000 2.417 33 W HA 0.340 5.000 4.660 -0.000 0.000 0.317 33 W C 0.627 177.270 176.519 0.208 0.000 1.121 33 W CA -0.723 56.726 57.345 0.174 0.000 1.208 33 W CB 1.155 30.694 29.460 0.132 0.000 1.253 33 W HN 0.831 nan 8.180 nan 0.000 0.533 34 N N 1.111 120.061 118.700 0.416 0.000 2.434 34 N HA -0.083 4.657 4.740 -0.000 0.000 0.268 34 N C 1.350 176.996 175.510 0.228 0.000 1.256 34 N CA 0.187 53.369 53.050 0.221 0.000 0.914 34 N CB 0.840 39.324 38.487 -0.006 0.000 1.088 34 N HN 0.357 nan 8.380 nan 0.000 0.478 35 S N 2.672 118.459 115.700 0.145 0.000 2.500 35 S HA -0.175 4.295 4.470 -0.000 0.000 0.239 35 S C 1.224 175.849 174.600 0.041 0.000 0.989 35 S CA 0.812 59.060 58.200 0.080 0.000 0.951 35 S CB 0.023 63.226 63.200 0.005 0.000 0.759 35 S HN 0.734 nan 8.310 nan 0.000 0.523 36 Q N 0.226 120.023 119.800 -0.004 0.000 2.403 36 Q HA 0.137 4.476 4.340 -0.000 0.000 0.203 36 Q C -0.179 175.798 176.000 -0.039 0.000 0.932 36 Q CA -0.011 55.768 55.803 -0.039 0.000 0.945 36 Q CB 0.087 28.781 28.738 -0.072 0.000 1.045 36 Q HN 0.650 nan 8.270 nan 0.000 0.511 37 H N 0.657 119.757 119.070 0.050 0.000 3.034 37 H HA -0.038 4.518 4.556 -0.000 0.000 0.324 37 H C -1.611 173.735 175.328 0.030 0.000 1.015 37 H CA -1.072 55.007 56.048 0.053 0.000 1.429 37 H CB 0.736 30.546 29.762 0.081 0.000 1.429 37 H HN 0.029 nan 8.280 nan 0.000 0.585 38 P HA -0.185 nan 4.420 nan 0.000 0.216 38 P C 1.065 178.401 177.300 0.060 0.000 1.154 38 P CA 1.521 64.669 63.100 0.080 0.000 0.865 38 P CB 0.423 32.170 31.700 0.077 0.000 0.789 39 E N -0.992 119.251 120.200 0.071 0.000 2.051 39 E HA -0.154 4.195 4.350 -0.000 0.000 0.192 39 E C 1.850 178.445 176.600 -0.007 0.000 0.991 39 E CA 1.003 57.409 56.400 0.011 0.000 0.799 39 E CB -1.104 28.591 29.700 -0.009 0.000 0.748 39 E HN 0.081 nan 8.360 nan 0.000 0.449 40 L N 1.071 122.314 121.223 0.034 0.000 2.141 40 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 40 L C 2.107 178.972 176.870 -0.008 0.000 1.094 40 L CA 1.679 56.523 54.840 0.007 0.000 0.763 40 L CB -0.821 41.275 42.059 0.061 0.000 0.908 40 L HN 0.194 nan 8.230 nan 0.000 0.437 41 Q N -2.082 117.725 119.800 0.011 0.000 2.119 41 Q HA -0.215 4.124 4.340 -0.000 0.000 0.201 41 Q C 2.523 178.513 176.000 -0.017 0.000 0.972 41 Q CA 1.665 57.465 55.803 -0.005 0.000 0.847 41 Q CB -0.484 28.258 28.738 0.007 0.000 0.903 41 Q HN 0.641 nan 8.270 nan 0.000 0.433 42 c N 0.492 119.079 118.600 -0.022 0.000 2.446 42 c HA 0.024 4.594 4.570 -0.000 0.000 0.277 42 c C 2.689 176.746 174.090 -0.055 0.000 1.275 42 c CA 1.060 57.365 56.329 -0.040 0.000 1.727 42 c CB -0.837 41.635 42.510 -0.063 0.000 2.010 42 c HN 0.530 nan 8.230 nan 0.000 0.486 43 A N -0.665 122.118 122.820 -0.062 0.000 2.119 43 A HA 0.392 4.712 4.320 -0.000 0.000 0.216 43 A C 1.897 179.452 177.584 -0.049 0.000 1.152 43 A CA 1.445 53.445 52.037 -0.062 0.000 0.708 43 A CB -1.122 17.834 19.000 -0.073 0.000 0.805 43 A HN 1.781 nan 8.150 nan 0.000 0.460 44 G N -0.956 107.814 108.800 -0.050 0.000 2.246 44 G HA2 0.004 3.963 3.960 -0.000 0.000 0.273 44 G HA3 0.004 3.963 3.960 -0.000 0.000 0.273 44 G C 0.213 175.056 174.900 -0.095 0.000 1.055 44 G CA 0.935 46.001 45.100 -0.057 0.000 0.851 44 G HN 1.957 nan 8.290 nan 0.000 0.500 45 V N -4.884 114.963 119.914 -0.111 0.000 3.203 45 V HA 1.002 5.122 4.120 -0.000 0.000 0.305 45 V C -0.285 175.720 176.094 -0.149 0.000 1.361 45 V CA 0.164 62.365 62.300 -0.165 0.000 1.066 45 V CB 1.753 33.480 31.823 -0.161 0.000 1.085 45 V HN 1.174 nan 8.190 nan 0.000 0.456 46 T N -0.651 113.795 114.554 -0.179 0.000 2.787 46 T HA 0.783 5.132 4.350 -0.000 0.000 0.297 46 T C -1.703 172.921 174.700 -0.126 0.000 1.221 46 T CA -0.120 61.920 62.100 -0.100 0.000 1.006 46 T CB 1.862 70.701 68.868 -0.049 0.000 1.328 46 T HN 1.218 nan 8.240 nan 0.000 0.509 47 V N 1.529 121.425 119.914 -0.031 0.000 2.914 47 V HA 0.882 5.002 4.120 -0.000 0.000 0.314 47 V C -0.456 175.815 176.094 0.294 0.000 1.084 47 V CA -0.779 61.467 62.300 -0.091 0.000 0.963 47 V CB 2.037 33.510 31.823 -0.584 0.000 1.025 47 V HN 0.875 nan 8.190 nan 0.000 0.432 48 S N 2.192 118.032 115.700 0.234 0.000 2.575 48 S HA 0.549 5.019 4.470 -0.000 0.000 0.278 48 S C -1.157 173.605 174.600 0.269 0.000 1.139 48 S CA -0.712 57.690 58.200 0.337 0.000 0.954 48 S CB 1.390 64.755 63.200 0.276 0.000 1.054 48 S HN 0.783 nan 8.310 nan 0.000 0.483 49 K N 3.675 124.248 120.400 0.288 0.000 2.265 49 K HA 0.528 4.848 4.320 -0.000 0.000 0.267 49 K C -0.900 175.749 176.600 0.080 0.000 0.994 49 K CA -0.602 55.791 56.287 0.176 0.000 0.860 49 K CB 0.719 33.337 32.500 0.196 0.000 1.099 49 K HN 0.623 nan 8.250 nan 0.000 0.448 50 R N 2.030 122.565 120.500 0.058 0.000 2.494 50 R HA 0.329 4.669 4.340 -0.000 0.000 0.305 50 R C -1.042 175.271 176.300 0.022 0.000 0.959 50 R CA -0.650 55.460 56.100 0.017 0.000 0.864 50 R CB 2.254 32.562 30.300 0.014 0.000 1.159 50 R HN 0.456 nan 8.270 nan 0.000 0.446 51 T N 4.125 118.679 114.554 -0.002 0.000 2.786 51 T HA 0.399 4.749 4.350 -0.000 0.000 0.283 51 T C -0.442 174.259 174.700 0.002 0.000 0.992 51 T CA -0.642 61.466 62.100 0.013 0.000 0.954 51 T CB 0.722 69.594 68.868 0.007 0.000 0.934 51 T HN 0.222 nan 8.240 nan 0.000 0.440 52 L N 4.293 125.530 121.223 0.024 0.000 2.276 52 L HA 0.449 4.788 4.340 -0.000 0.000 0.286 52 L C 0.594 177.460 176.870 -0.007 0.000 1.024 52 L CA -0.837 54.014 54.840 0.017 0.000 0.826 52 L CB 0.840 42.931 42.059 0.053 0.000 1.211 52 L HN 0.601 nan 8.230 nan 0.000 0.422 53 N N 2.015 120.707 118.700 -0.014 0.000 2.294 53 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 53 N C 0.161 175.643 175.510 -0.048 0.000 1.300 53 N CA -0.686 52.350 53.050 -0.022 0.000 0.925 53 N CB 0.526 39.005 38.487 -0.014 0.000 1.188 53 N HN 0.460 nan 8.380 nan 0.000 0.512 54 R N 1.173 121.645 120.500 -0.047 0.000 2.523 54 R HA -0.179 4.161 4.340 -0.000 0.000 0.281 54 R C -0.246 176.019 176.300 -0.059 0.000 0.969 54 R CA 0.378 56.438 56.100 -0.067 0.000 1.093 54 R CB -0.104 30.174 30.300 -0.037 0.000 0.917 54 R HN 0.619 nan 8.270 nan 0.000 0.408 55 N N 0.809 119.435 118.700 -0.123 0.000 2.753 55 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 55 N C -0.280 175.265 175.510 0.059 0.000 1.097 55 N CA 1.446 54.487 53.050 -0.015 0.000 0.786 55 N CB -1.281 37.281 38.487 0.125 0.000 1.137 55 N HN 0.784 nan 8.380 nan 0.000 0.566 56 G N 0.310 109.066 108.800 -0.073 0.000 2.403 56 G HA2 0.465 4.424 3.960 -0.000 0.000 0.259 56 G HA3 0.465 4.424 3.960 -0.000 0.000 0.259 56 G C -0.173 174.828 174.900 0.169 0.000 1.244 56 G CA -0.309 44.816 45.100 0.043 0.000 0.849 56 G HN 0.211 nan 8.290 nan 0.000 0.532 57 L N 2.031 123.413 121.223 0.265 0.000 2.376 57 L HA 0.419 4.759 4.340 -0.000 0.000 0.275 57 L C -0.263 176.788 176.870 0.301 0.000 0.987 57 L CA -0.885 54.175 54.840 0.368 0.000 0.828 57 L CB 1.699 43.947 42.059 0.316 0.000 1.249 57 L HN 0.712 nan 8.230 nan 0.000 0.409 58 H N 5.725 124.923 119.070 0.214 0.000 2.782 58 H HA 0.381 4.937 4.556 -0.000 0.000 0.285 58 H C -0.413 175.003 175.328 0.148 0.000 1.093 58 H CA -0.941 55.199 56.048 0.153 0.000 1.410 58 H CB 0.643 30.483 29.762 0.130 0.000 1.439 58 H HN 0.668 nan 8.280 nan 0.000 0.469 59 L N 6.671 128.074 121.223 0.299 0.000 2.529 59 L HA 0.006 4.346 4.340 -0.000 0.000 0.287 59 L C -1.908 174.990 176.870 0.047 0.000 1.241 59 L CA -1.705 53.231 54.840 0.161 0.000 0.857 59 L CB -0.079 42.078 42.059 0.163 0.000 1.113 59 L HN 0.602 nan 8.230 nan 0.000 0.504 60 P HA -0.003 nan 4.420 nan 0.000 0.262 60 P C -0.719 176.495 177.300 -0.143 0.000 1.182 60 P CA 0.306 63.367 63.100 -0.065 0.000 0.761 60 P CB 0.710 32.429 31.700 0.033 0.000 0.795 61 S N 2.554 118.034 115.700 -0.367 0.000 2.615 61 S HA 0.822 5.292 4.470 -0.000 0.000 0.269 61 S C -1.616 172.906 174.600 -0.130 0.000 1.161 61 S CA -0.792 57.138 58.200 -0.450 0.000 0.817 61 S CB 1.313 63.852 63.200 -1.102 0.000 1.131 61 S HN 0.460 nan 8.310 nan 0.000 0.467 62 Y N -1.624 118.593 120.300 -0.138 0.000 2.609 62 Y HA 0.877 5.426 4.550 -0.000 0.000 0.336 62 Y C -1.031 174.840 175.900 -0.047 0.000 1.129 62 Y CA -0.926 57.138 58.100 -0.059 0.000 1.040 62 Y CB 1.191 39.595 38.460 -0.093 0.000 1.310 62 Y HN 0.752 nan 8.280 nan 0.000 0.460 63 S N 2.006 117.678 115.700 -0.047 0.000 2.549 63 S HA 0.442 4.912 4.470 -0.000 0.000 0.280 63 S C -2.692 171.668 174.600 -0.400 0.000 1.109 63 S CA -1.480 56.538 58.200 -0.304 0.000 0.905 63 S CB 2.372 65.162 63.200 -0.682 0.000 1.081 63 S HN 0.668 nan 8.310 nan 0.000 0.477 64 P HA 0.083 nan 4.420 nan 0.000 0.263 64 P C -1.027 176.192 177.300 -0.135 0.000 1.386 64 P CA 0.413 63.400 63.100 -0.190 0.000 0.797 64 P CB -0.772 30.922 31.700 -0.009 0.000 1.381 65 Y N -3.384 116.905 120.300 -0.017 0.000 2.656 65 Y HA 0.719 5.269 4.550 -0.000 0.000 0.334 65 Y C -3.099 172.734 175.900 -0.111 0.000 1.179 65 Y CA -3.375 54.696 58.100 -0.048 0.000 1.050 65 Y CB 0.162 38.602 38.460 -0.034 0.000 1.308 65 Y HN -0.332 nan 8.280 nan 0.000 0.456 66 P HA 0.250 nan 4.420 nan 0.000 0.281 66 P C -1.516 175.791 177.300 0.012 0.000 1.249 66 P CA -0.225 62.789 63.100 -0.143 0.000 0.810 66 P CB 1.781 33.323 31.700 -0.264 0.000 1.008 67 Q N 0.971 120.712 119.800 -0.098 0.000 2.356 67 Q HA 0.618 4.958 4.340 -0.000 0.000 0.270 67 Q C -0.660 175.289 176.000 -0.085 0.000 1.058 67 Q CA -0.677 55.087 55.803 -0.065 0.000 0.802 67 Q CB 2.785 31.473 28.738 -0.083 0.000 1.303 67 Q HN 0.442 nan 8.270 nan 0.000 0.444 68 M N 3.875 123.431 119.600 -0.072 0.000 2.181 68 M HA 0.528 5.008 4.480 -0.000 0.000 0.323 68 M C -1.826 174.492 176.300 0.030 0.000 1.004 68 M CA -0.441 54.880 55.300 0.035 0.000 0.941 68 M CB 0.842 33.545 32.600 0.172 0.000 1.579 68 M HN 0.607 nan 8.290 nan 0.000 0.427 69 I N 5.959 126.570 120.570 0.068 0.000 2.436 69 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 69 I C -0.874 175.311 176.117 0.115 0.000 1.010 69 I CA -0.731 60.604 61.300 0.058 0.000 1.098 69 I CB 2.019 39.983 38.000 -0.060 0.000 1.266 69 I HN 0.709 nan 8.210 nan 0.000 0.434 70 I N 6.755 127.433 120.570 0.178 0.000 2.377 70 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 70 I C -0.692 175.466 176.117 0.067 0.000 0.987 70 I CA -0.691 60.684 61.300 0.125 0.000 1.185 70 I CB 1.401 39.493 38.000 0.154 0.000 1.341 70 I HN 0.244 nan 8.210 nan 0.000 0.455 71 V N 8.131 128.069 119.914 0.039 0.000 2.385 71 V HA 0.073 4.193 4.120 -0.000 0.000 0.269 71 V C 0.949 177.102 176.094 0.098 0.000 1.043 71 V CA -0.188 62.147 62.300 0.058 0.000 0.906 71 V CB 1.108 32.988 31.823 0.094 0.000 0.995 71 V HN 0.739 nan 8.190 nan 0.000 0.467 72 V N 1.762 121.747 119.914 0.119 0.000 3.590 72 V HA 0.304 4.424 4.120 -0.000 0.000 0.265 72 V C 0.375 176.544 176.094 0.126 0.000 1.239 72 V CA 0.608 62.994 62.300 0.143 0.000 1.117 72 V CB -0.219 31.727 31.823 0.206 0.000 0.818 72 V HN 0.858 nan 8.190 nan 0.000 0.451 73 Q N -0.324 119.549 119.800 0.120 0.000 2.386 73 Q HA 0.537 4.877 4.340 -0.000 0.000 0.274 73 Q C -0.281 175.781 176.000 0.103 0.000 1.011 73 Q CA 0.207 56.071 55.803 0.100 0.000 0.867 73 Q CB 1.872 30.664 28.738 0.091 0.000 1.409 73 Q HN 1.034 nan 8.270 nan 0.000 0.395 74 G N 2.234 111.076 108.800 0.071 0.000 2.698 74 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.225 74 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.225 74 G C -1.456 173.465 174.900 0.035 0.000 1.345 74 G CA -0.144 44.982 45.100 0.043 0.000 0.871 74 G HN 0.883 nan 8.290 nan 0.000 0.540 75 K N -0.965 119.395 120.400 -0.067 0.000 2.502 75 K HA 0.883 5.203 4.320 -0.000 0.000 0.257 75 K C 0.140 176.458 176.600 -0.470 0.000 0.938 75 K CA -0.283 55.869 56.287 -0.225 0.000 0.819 75 K CB 2.048 34.434 32.500 -0.190 0.000 1.333 75 K HN 2.183 nan 8.250 nan 0.000 0.434 76 G N 0.138 108.296 108.800 -1.071 0.000 2.570 76 G HA2 0.693 4.653 3.960 -0.000 0.000 0.310 76 G HA3 0.693 4.653 3.960 -0.000 0.000 0.310 76 G C -1.816 172.428 174.900 -1.092 0.000 1.266 76 G CA -0.576 43.905 45.100 -1.032 0.000 0.825 76 G HN 0.828 nan 8.290 nan 0.000 0.483 77 A N -0.683 121.904 122.820 -0.388 0.000 2.414 77 A HA 0.825 5.144 4.320 -0.000 0.000 0.306 77 A C -1.322 176.335 177.584 0.123 0.000 1.054 77 A CA -0.574 51.418 52.037 -0.075 0.000 0.724 77 A CB 1.612 20.725 19.000 0.188 0.000 1.267 77 A HN 1.445 nan 8.150 nan 0.000 0.418 78 I N 1.315 121.848 120.570 -0.061 0.000 2.545 78 I HA 0.759 4.929 4.170 -0.000 0.000 0.292 78 I C 0.001 175.641 176.117 -0.795 0.000 1.040 78 I CA -0.424 60.629 61.300 -0.412 0.000 1.068 78 I CB 2.037 39.898 38.000 -0.231 0.000 1.251 78 I HN 0.776 nan 8.210 nan 0.000 0.424 79 G N 6.125 114.012 108.800 -1.522 0.000 2.566 79 G HA2 0.656 4.616 3.960 -0.000 0.000 0.311 79 G HA3 0.656 4.616 3.960 -0.000 0.000 0.311 79 G C -1.636 172.725 174.900 -0.898 0.000 1.322 79 G CA -0.363 44.059 45.100 -1.130 0.000 0.969 79 G HN 0.430 nan 8.290 nan 0.000 0.490 80 F N 0.437 120.278 119.950 -0.182 0.000 2.541 80 F HA 0.722 5.249 4.527 -0.000 0.000 0.331 80 F C 0.559 176.359 175.800 0.001 0.000 1.057 80 F CA -0.917 57.027 58.000 -0.093 0.000 0.975 80 F CB 2.669 41.611 39.000 -0.096 0.000 1.246 80 F HN 0.566 nan 8.300 nan 0.000 0.484 81 A N 1.935 124.820 122.820 0.109 0.000 2.536 81 A HA 0.607 4.927 4.320 -0.000 0.000 0.329 81 A C -1.433 176.118 177.584 -0.055 0.000 1.321 81 A CA -0.370 51.716 52.037 0.081 0.000 0.804 81 A CB -0.666 18.366 19.000 0.053 0.000 1.126 81 A HN 0.543 nan 8.150 nan 0.000 0.480 82 F N 4.024 124.014 119.950 0.067 0.000 2.445 82 F HA 0.327 4.853 4.527 -0.000 0.000 0.359 82 F C -1.465 174.338 175.800 0.004 0.000 1.101 82 F CA -1.801 56.211 58.000 0.020 0.000 1.177 82 F CB 1.092 40.095 39.000 0.005 0.000 1.110 82 F HN 0.398 nan 8.300 nan 0.000 0.522 83 P HA 0.064 nan 4.420 nan 0.000 0.263 83 P C 0.689 178.028 177.300 0.066 0.000 1.195 83 P CA 0.709 63.836 63.100 0.044 0.000 0.762 83 P CB 0.844 32.539 31.700 -0.008 0.000 0.799 84 G N 2.196 111.024 108.800 0.046 0.000 2.189 84 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 84 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 84 G C 0.275 175.204 174.900 0.048 0.000 0.975 84 G CA 0.064 45.187 45.100 0.039 0.000 0.644 84 G HN 0.667 nan 8.290 nan 0.000 0.537 85 c N 3.129 121.774 118.600 0.076 0.000 2.539 85 c HA 0.591 5.161 4.570 -0.000 0.000 0.392 85 c C -0.680 173.445 174.090 0.058 0.000 1.269 85 c CA -1.056 55.313 56.329 0.066 0.000 2.250 85 c CB 1.008 43.574 42.510 0.094 0.000 2.584 85 c HN 0.509 nan 8.230 nan 0.000 0.589 86 P HA 0.168 nan 4.420 nan 0.000 0.274 86 P C -0.899 176.435 177.300 0.056 0.000 1.231 86 P CA 0.022 63.146 63.100 0.041 0.000 0.790 86 P CB 0.622 32.340 31.700 0.029 0.000 0.951 87 E N 0.846 121.079 120.200 0.054 0.000 1.893 87 E HA 0.099 4.448 4.350 -0.000 0.000 0.269 87 E C 1.139 177.783 176.600 0.073 0.000 1.129 87 E CA 0.125 56.564 56.400 0.064 0.000 0.904 87 E CB -0.405 29.323 29.700 0.046 0.000 1.077 87 E HN 0.394 nan 8.360 nan 0.000 0.407 88 T N -0.383 114.244 114.554 0.123 0.000 3.118 88 T HA 0.064 4.414 4.350 -0.000 0.000 0.260 88 T C 0.387 175.261 174.700 0.290 0.000 1.139 88 T CA 0.118 62.325 62.100 0.178 0.000 1.085 88 T CB -0.079 68.909 68.868 0.199 0.000 0.934 88 T HN 0.060 nan 8.240 nan 0.000 0.518 89 F N 3.138 123.019 119.950 -0.115 0.000 2.388 89 F HA 0.526 5.052 4.527 -0.000 0.000 0.358 89 F C 0.191 175.813 175.800 -0.296 0.000 1.122 89 F CA -2.134 55.740 58.000 -0.210 0.000 1.056 89 F CB 1.207 40.018 39.000 -0.315 0.000 1.155 89 F HN 0.335 nan 8.300 nan 0.000 0.461 90 E N 1.846 121.990 120.200 -0.094 0.000 2.331 90 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 90 E C -1.618 174.927 176.600 -0.092 0.000 0.895 90 E CA -1.318 55.023 56.400 -0.098 0.000 0.753 90 E CB 2.799 32.464 29.700 -0.058 0.000 1.216 90 E HN 0.411 nan 8.360 nan 0.000 0.434 91 K N 3.331 123.688 120.400 -0.072 0.000 2.450 91 K HA 0.376 4.696 4.320 -0.000 0.000 0.257 91 K C -2.390 174.186 176.600 -0.040 0.000 0.953 91 K CA -2.297 53.957 56.287 -0.055 0.000 0.844 91 K CB 1.321 33.795 32.500 -0.044 0.000 1.103 91 K HN 0.372 nan 8.250 nan 0.000 0.429 107 L N 2.452 123.664 121.223 -0.017 0.000 2.275 107 L HA 0.306 4.646 4.340 -0.000 0.000 0.288 107 L C 1.591 178.449 176.870 -0.020 0.000 1.046 107 L CA -0.237 54.590 54.840 -0.020 0.000 0.805 107 L CB 1.282 43.329 42.059 -0.021 0.000 1.193 107 L HN 0.658 nan 8.230 nan 0.000 0.426 108 Q N 1.643 121.430 119.800 -0.022 0.000 2.124 108 Q HA -0.109 4.230 4.340 -0.000 0.000 0.202 108 Q C -0.371 175.617 176.000 -0.019 0.000 0.977 108 Q CA 1.527 57.317 55.803 -0.021 0.000 0.850 108 Q CB 0.393 29.118 28.738 -0.022 0.000 0.901 108 Q HN 0.777 nan 8.270 nan 0.000 0.429 109 D N -1.675 118.714 120.400 -0.019 0.000 2.783 109 D HA 0.243 4.883 4.640 -0.000 0.000 0.253 109 D C -1.919 174.365 176.300 -0.026 0.000 1.206 109 D CA 0.008 54.004 54.000 -0.007 0.000 0.740 109 D CB 1.243 42.054 40.800 0.018 0.000 1.313 109 D HN 0.102 nan 8.370 nan 0.000 0.427 110 S N 0.589 116.281 115.700 -0.014 0.000 2.533 110 S HA 0.874 5.344 4.470 -0.000 0.000 0.271 110 S C -1.208 173.397 174.600 0.008 0.000 1.143 110 S CA -0.806 57.352 58.200 -0.071 0.000 0.891 110 S CB 1.643 64.824 63.200 -0.032 0.000 1.105 110 S HN 0.802 nan 8.310 nan 0.000 0.468 111 H N -0.682 118.432 119.070 0.073 0.000 2.932 111 H HA 0.604 5.160 4.556 -0.000 0.000 0.307 111 H C -0.956 174.402 175.328 0.049 0.000 1.391 111 H CA -1.009 55.071 56.048 0.052 0.000 1.130 111 H CB 0.241 30.022 29.762 0.032 0.000 1.836 111 H HN 0.636 nan 8.280 nan 0.000 0.522 112 Q N 0.566 120.513 119.800 0.245 0.000 2.471 112 Q HA 0.110 4.450 4.340 -0.000 0.000 0.223 112 Q C -0.099 175.843 176.000 -0.096 0.000 1.045 112 Q CA -0.649 55.219 55.803 0.108 0.000 0.956 112 Q CB 0.811 29.645 28.738 0.160 0.000 1.249 112 Q HN 0.571 nan 8.270 nan 0.000 0.549 113 K N 1.099 121.304 120.400 -0.325 0.000 2.561 113 K HA -0.063 4.257 4.320 -0.000 0.000 0.280 113 K C -0.717 175.592 176.600 -0.485 0.000 0.975 113 K CA 0.161 55.975 56.287 -0.789 0.000 1.024 113 K CB 0.343 32.666 32.500 -0.294 0.000 0.883 113 K HN 0.340 nan 8.250 nan 0.000 0.496 114 I N 4.924 125.133 120.570 -0.602 0.000 2.336 114 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 114 I C 0.019 176.062 176.117 -0.123 0.000 0.991 114 I CA -0.462 60.711 61.300 -0.211 0.000 1.227 114 I CB 1.393 39.373 38.000 -0.034 0.000 1.366 114 I HN 0.637 nan 8.210 nan 0.000 0.466 115 R N 5.324 125.747 120.500 -0.129 0.000 2.338 115 R HA 0.448 4.788 4.340 -0.000 0.000 0.317 115 R C -0.441 175.756 176.300 -0.173 0.000 0.968 115 R CA -0.637 55.426 56.100 -0.061 0.000 0.849 115 R CB 1.446 31.777 30.300 0.052 0.000 1.128 115 R HN 0.465 nan 8.270 nan 0.000 0.448 116 H N 3.242 122.317 119.070 0.009 0.000 2.481 116 H HA 0.317 4.873 4.556 -0.000 0.000 0.339 116 H C -0.356 174.888 175.328 -0.140 0.000 1.131 116 H CA -0.166 55.840 56.048 -0.069 0.000 1.301 116 H CB 1.231 30.986 29.762 -0.012 0.000 1.476 116 H HN 0.502 nan 8.280 nan 0.000 0.529 117 F N 0.292 120.233 119.950 -0.015 0.000 2.613 117 F HA 0.542 5.069 4.527 -0.000 0.000 0.314 117 F C -0.830 174.988 175.800 0.030 0.000 1.075 117 F CA -1.010 56.964 58.000 -0.043 0.000 0.945 117 F CB 1.519 40.471 39.000 -0.080 0.000 1.310 117 F HN 0.286 nan 8.300 nan 0.000 0.467 118 N N -0.079 118.796 118.700 0.292 0.000 2.697 118 N HA 0.210 4.950 4.740 -0.000 0.000 0.272 118 N C -1.664 173.977 175.510 0.219 0.000 1.381 118 N CA -0.888 52.263 53.050 0.168 0.000 0.797 118 N CB 2.035 40.571 38.487 0.082 0.000 1.523 118 N HN 0.841 nan 8.380 nan 0.000 0.518 119 E N -0.617 119.664 120.200 0.135 0.000 2.413 119 E HA 0.325 4.675 4.350 -0.000 0.000 0.263 119 E C 0.628 177.257 176.600 0.047 0.000 1.015 119 E CA 0.065 56.527 56.400 0.103 0.000 0.916 119 E CB 0.257 30.001 29.700 0.074 0.000 0.947 119 E HN 0.809 nan 8.360 nan 0.000 0.440 120 G N 2.556 111.359 108.800 0.004 0.000 2.213 120 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.236 120 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.236 120 G C -0.339 174.529 174.900 -0.054 0.000 0.991 120 G CA 0.083 45.120 45.100 -0.106 0.000 0.629 120 G HN 0.617 nan 8.290 nan 0.000 0.517 121 D N 0.143 120.577 120.400 0.056 0.000 2.264 121 D HA 0.581 5.221 4.640 -0.000 0.000 0.249 121 D C 0.176 176.525 176.300 0.081 0.000 1.070 121 D CA -0.139 53.929 54.000 0.114 0.000 0.912 121 D CB 2.068 43.028 40.800 0.266 0.000 1.193 121 D HN 0.126 nan 8.370 nan 0.000 0.427 122 V N 2.585 122.556 119.914 0.095 0.000 2.459 122 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 122 V C 0.043 176.206 176.094 0.115 0.000 1.029 122 V CA -0.671 61.684 62.300 0.091 0.000 0.874 122 V CB 1.412 33.290 31.823 0.092 0.000 0.985 122 V HN 0.294 nan 8.190 nan 0.000 0.438 123 L N 5.073 126.335 121.223 0.065 0.000 2.334 123 L HA 0.754 5.094 4.340 -0.000 0.000 0.273 123 L C -0.795 176.113 176.870 0.065 0.000 1.013 123 L CA -0.939 53.942 54.840 0.068 0.000 0.816 123 L CB 2.128 44.142 42.059 -0.076 0.000 1.278 123 L HN 0.312 nan 8.230 nan 0.000 0.431 124 V N 3.415 123.387 119.914 0.098 0.000 2.487 124 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 124 V C -0.301 175.778 176.094 -0.024 0.000 1.028 124 V CA -0.499 61.829 62.300 0.047 0.000 0.860 124 V CB 2.096 34.006 31.823 0.144 0.000 0.991 124 V HN 0.400 nan 8.190 nan 0.000 0.427 125 I N 6.211 126.681 120.570 -0.166 0.000 2.330 125 I HA 0.447 4.617 4.170 -0.000 0.000 0.289 125 I C -2.460 173.406 176.117 -0.419 0.000 1.001 125 I CA -2.814 58.364 61.300 -0.203 0.000 1.193 125 I CB 1.418 39.181 38.000 -0.395 0.000 1.345 125 I HN 0.365 nan 8.210 nan 0.000 0.461 126 P HA 0.255 nan 4.420 nan 0.000 0.274 126 P C -2.545 174.517 177.300 -0.397 0.000 1.231 126 P CA -1.335 61.362 63.100 -0.672 0.000 0.790 126 P CB -0.090 31.426 31.700 -0.307 0.000 0.951 127 P HA 0.066 nan 4.420 nan 0.000 0.267 127 P C 1.011 178.216 177.300 -0.158 0.000 1.205 127 P CA 1.100 64.080 63.100 -0.200 0.000 0.765 127 P CB 0.051 31.688 31.700 -0.106 0.000 0.828 128 G N 1.544 110.266 108.800 -0.130 0.000 2.220 128 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.269 128 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.269 128 G C 0.117 174.853 174.900 -0.274 0.000 0.977 128 G CA 0.049 45.044 45.100 -0.174 0.000 0.634 128 G HN 0.529 nan 8.290 nan 0.000 0.539 129 V N 2.499 122.301 119.914 -0.186 0.000 2.406 129 V HA 0.428 4.548 4.120 -0.000 0.000 0.272 129 V C -1.563 174.520 176.094 -0.019 0.000 1.043 129 V CA -1.467 60.704 62.300 -0.215 0.000 0.915 129 V CB 1.489 33.097 31.823 -0.359 0.000 0.988 129 V HN 0.094 nan 8.190 nan 0.000 0.466 130 P HA 0.284 nan 4.420 nan 0.000 0.271 130 P C -1.331 176.035 177.300 0.110 0.000 1.216 130 P CA 0.141 63.301 63.100 0.100 0.000 0.776 130 P CB 0.277 32.009 31.700 0.054 0.000 0.881 131 Y N 1.406 121.618 120.300 -0.148 0.000 2.597 131 Y HA 0.817 5.367 4.550 -0.000 0.000 0.340 131 Y C -1.783 173.959 175.900 -0.264 0.000 1.097 131 Y CA -1.441 56.406 58.100 -0.420 0.000 1.037 131 Y CB 1.220 39.244 38.460 -0.727 0.000 1.305 131 Y HN 0.521 nan 8.280 nan 0.000 0.463 132 W N 1.435 122.481 121.300 -0.424 0.000 3.107 132 W HA 0.736 5.396 4.660 -0.000 0.000 0.331 132 W C -1.989 174.469 176.519 -0.102 0.000 1.204 132 W CA -0.803 56.316 57.345 -0.378 0.000 1.184 132 W CB 1.476 30.807 29.460 -0.215 0.000 1.421 132 W HN 0.980 nan 8.180 nan 0.000 0.544 133 T N -0.247 114.494 114.554 0.312 0.000 2.906 133 T HA 0.648 4.997 4.350 -0.000 0.000 0.295 133 T C -1.963 173.110 174.700 0.622 0.000 1.061 133 T CA -0.535 61.791 62.100 0.378 0.000 1.000 133 T CB 2.911 71.986 68.868 0.345 0.000 1.103 133 T HN 0.568 nan 8.240 nan 0.000 0.486 134 Y N 1.836 122.394 120.300 0.431 0.000 2.470 134 Y HA 0.556 5.106 4.550 -0.000 0.000 0.341 134 Y C -0.940 175.065 175.900 0.175 0.000 1.021 134 Y CA -1.219 57.089 58.100 0.347 0.000 1.025 134 Y CB 1.876 40.624 38.460 0.480 0.000 1.266 134 Y HN 0.847 nan 8.280 nan 0.000 0.448 135 N N 2.669 121.016 118.700 -0.588 0.000 2.430 135 N HA 0.088 4.828 4.740 -0.000 0.000 0.265 135 N C 0.452 175.474 175.510 -0.813 0.000 1.100 135 N CA 0.687 53.425 53.050 -0.520 0.000 0.961 135 N CB 1.267 39.553 38.487 -0.335 0.000 1.075 135 N HN 0.829 nan 8.380 nan 0.000 0.478 136 T N -0.203 114.051 114.554 -0.500 0.000 3.086 136 T HA 0.326 4.676 4.350 -0.000 0.000 0.250 136 T C 0.861 175.384 174.700 -0.296 0.000 1.074 136 T CA -0.187 61.660 62.100 -0.422 0.000 0.988 136 T CB 0.106 68.682 68.868 -0.486 0.000 0.988 136 T HN 0.345 nan 8.240 nan 0.000 0.530 137 G N -0.000 108.651 108.800 -0.248 0.000 2.887 137 G HA2 0.477 4.437 3.960 -0.000 0.000 0.277 137 G HA3 0.477 4.437 3.960 -0.000 0.000 0.277 137 G C -0.269 174.558 174.900 -0.122 0.000 1.346 137 G CA -0.476 44.528 45.100 -0.161 0.000 1.058 137 G HN 0.045 nan 8.290 nan 0.000 0.535 138 D N -0.323 120.029 120.400 -0.080 0.000 2.197 138 D HA -0.000 4.640 4.640 -0.000 0.000 0.212 138 D C 1.141 177.414 176.300 -0.045 0.000 0.963 138 D CA 0.768 54.735 54.000 -0.056 0.000 0.864 138 D CB 0.102 40.880 40.800 -0.037 0.000 1.009 138 D HN 0.689 nan 8.370 nan 0.000 0.479 139 E N 2.675 122.853 120.200 -0.037 0.000 2.392 139 E HA 0.201 4.550 4.350 -0.000 0.000 0.259 139 E C -2.384 174.201 176.600 -0.024 0.000 1.108 139 E CA -1.560 54.828 56.400 -0.020 0.000 0.916 139 E CB 0.151 29.847 29.700 -0.006 0.000 0.989 139 E HN -0.035 nan 8.360 nan 0.000 0.432 140 P HA 0.003 nan 4.420 nan 0.000 0.274 140 P C -0.467 176.846 177.300 0.022 0.000 1.231 140 P CA -0.414 62.684 63.100 -0.003 0.000 0.790 140 P CB 0.854 32.556 31.700 0.005 0.000 0.951 141 V N 2.928 122.864 119.914 0.037 0.000 2.432 141 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 141 V C 0.455 176.606 176.094 0.094 0.000 1.043 141 V CA -0.262 62.096 62.300 0.097 0.000 0.925 141 V CB 1.423 33.346 31.823 0.166 0.000 0.985 141 V HN 0.259 nan 8.190 nan 0.000 0.466 142 V N 4.515 124.491 119.914 0.103 0.000 2.487 142 V HA 0.868 4.988 4.120 -0.000 0.000 0.298 142 V C 0.098 176.247 176.094 0.091 0.000 1.028 142 V CA -0.403 61.951 62.300 0.091 0.000 0.860 142 V CB 1.604 33.486 31.823 0.098 0.000 0.991 142 V HN 0.993 nan 8.190 nan 0.000 0.427 143 A N 5.327 128.187 122.820 0.066 0.000 2.449 143 A HA 0.933 5.253 4.320 -0.000 0.000 0.302 143 A C -1.321 176.274 177.584 0.019 0.000 1.048 143 A CA -0.490 51.569 52.037 0.037 0.000 0.708 143 A CB 1.363 20.364 19.000 0.001 0.000 1.274 143 A HN 0.653 nan 8.150 nan 0.000 0.410 144 I N 1.424 121.984 120.570 -0.017 0.000 2.339 144 I HA 0.468 4.637 4.170 -0.000 0.000 0.290 144 I C 0.519 176.605 176.117 -0.051 0.000 0.994 144 I CA 0.100 61.344 61.300 -0.093 0.000 1.191 144 I CB 1.948 39.731 38.000 -0.362 0.000 1.343 144 I HN 0.488 nan 8.210 nan 0.000 0.458 145 S N 6.802 122.447 115.700 -0.090 0.000 2.449 145 S HA 0.521 4.991 4.470 -0.000 0.000 0.310 145 S C -0.823 173.577 174.600 -0.334 0.000 1.096 145 S CA -0.684 57.424 58.200 -0.154 0.000 1.095 145 S CB 0.756 63.939 63.200 -0.029 0.000 1.007 145 S HN 0.532 nan 8.310 nan 0.000 0.474 146 L N 7.051 127.905 121.223 -0.614 0.000 2.283 146 L HA 0.450 4.790 4.340 -0.000 0.000 0.287 146 L C -1.133 175.541 176.870 -0.328 0.000 1.073 146 L CA -0.268 54.148 54.840 -0.708 0.000 0.822 146 L CB 0.237 41.549 42.059 -1.244 0.000 1.186 146 L HN 0.724 nan 8.230 nan 0.000 0.436 147 L N 5.316 126.398 121.223 -0.234 0.000 2.282 147 L HA 0.186 4.526 4.340 -0.000 0.000 0.287 147 L C 0.180 176.852 176.870 -0.330 0.000 1.075 147 L CA -0.469 54.266 54.840 -0.175 0.000 0.839 147 L CB 0.718 42.680 42.059 -0.162 0.000 1.219 147 L HN 0.519 nan 8.230 nan 0.000 0.434 148 D N 2.056 122.325 120.400 -0.219 0.000 2.671 148 D HA -0.019 4.621 4.640 -0.000 0.000 0.228 148 D C 1.634 177.746 176.300 -0.314 0.000 1.102 148 D CA -0.028 53.861 54.000 -0.186 0.000 1.044 148 D CB 0.546 41.329 40.800 -0.027 0.000 1.113 148 D HN 0.614 nan 8.370 nan 0.000 0.480 149 T N -2.021 112.198 114.554 -0.559 0.000 2.803 149 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 149 T C 1.808 176.387 174.700 -0.201 0.000 1.052 149 T CA 1.321 63.067 62.100 -0.590 0.000 1.136 149 T CB -0.341 68.215 68.868 -0.520 0.000 0.864 149 T HN 0.234 nan 8.240 nan 0.000 0.467 150 S N 1.035 116.663 115.700 -0.121 0.000 2.603 150 S HA 0.056 4.526 4.470 -0.000 0.000 0.220 150 S C 0.823 175.446 174.600 0.039 0.000 0.967 150 S CA -0.543 57.641 58.200 -0.027 0.000 0.920 150 S CB -0.890 62.299 63.200 -0.017 0.000 0.773 150 S HN 0.597 nan 8.310 nan 0.000 0.529 151 N N 1.040 119.769 118.700 0.049 0.000 2.356 151 N HA -0.089 4.651 4.740 -0.000 0.000 0.252 151 N C 0.547 176.156 175.510 0.164 0.000 1.241 151 N CA 0.071 53.197 53.050 0.126 0.000 0.861 151 N CB 0.096 38.669 38.487 0.143 0.000 1.075 151 N HN 0.259 nan 8.380 nan 0.000 0.461 152 F N 4.392 124.374 119.950 0.053 0.000 2.236 152 F HA -0.145 4.382 4.527 -0.000 0.000 0.302 152 F C 1.716 177.549 175.800 0.056 0.000 1.073 152 F CA 1.357 59.385 58.000 0.048 0.000 1.336 152 F CB -0.022 39.002 39.000 0.040 0.000 1.040 152 F HN 0.574 nan 8.300 nan 0.000 0.507 153 N N 0.288 119.017 118.700 0.049 0.000 2.457 153 N HA -0.135 4.605 4.740 -0.000 0.000 0.180 153 N C 0.193 175.668 175.510 -0.058 0.000 1.050 153 N CA 0.414 53.441 53.050 -0.038 0.000 0.906 153 N CB -0.672 37.867 38.487 0.087 0.000 0.968 153 N HN 0.223 nan 8.380 nan 0.000 0.445 154 N N 2.062 120.762 118.700 0.001 0.000 2.402 154 N HA 0.019 4.758 4.740 -0.000 0.000 0.252 154 N C 0.213 175.704 175.510 -0.032 0.000 1.118 154 N CA 0.220 53.293 53.050 0.039 0.000 0.945 154 N CB 0.403 38.972 38.487 0.136 0.000 1.147 154 N HN 0.119 nan 8.380 nan 0.000 0.495 155 Q N 2.862 122.633 119.800 -0.049 0.000 2.280 155 Q HA 0.178 4.518 4.340 -0.000 0.000 0.201 155 Q C 0.757 176.748 176.000 -0.015 0.000 0.890 155 Q CA 0.027 55.790 55.803 -0.068 0.000 0.947 155 Q CB 0.710 29.392 28.738 -0.094 0.000 1.081 155 Q HN 0.606 nan 8.270 nan 0.000 0.502 156 L N 0.432 121.669 121.223 0.024 0.000 2.185 156 L HA 0.099 4.438 4.340 -0.000 0.000 0.202 156 L C 0.267 177.160 176.870 0.037 0.000 1.234 156 L CA 0.593 55.461 54.840 0.047 0.000 1.175 156 L CB 0.010 42.125 42.059 0.094 0.000 1.136 156 L HN 0.231 nan 8.230 nan 0.000 0.643 157 D N -3.733 116.697 120.400 0.050 0.000 2.643 157 D HA 0.131 4.770 4.640 -0.000 0.000 0.283 157 D C -0.377 175.937 176.300 0.023 0.000 1.242 157 D CA -0.653 53.365 54.000 0.029 0.000 0.863 157 D CB 0.735 41.549 40.800 0.023 0.000 1.382 157 D HN -0.112 nan 8.370 nan 0.000 0.444 158 Q N -0.495 119.304 119.800 -0.003 0.000 2.591 158 Q HA 0.166 4.505 4.340 -0.000 0.000 0.219 158 Q C -0.657 175.306 176.000 -0.061 0.000 0.981 158 Q CA 0.479 56.260 55.803 -0.037 0.000 0.945 158 Q CB -0.888 27.828 28.738 -0.037 0.000 0.985 158 Q HN 0.332 nan 8.270 nan 0.000 0.542 159 N N 1.414 120.099 118.700 -0.025 0.000 2.514 159 N HA 0.180 4.920 4.740 -0.000 0.000 0.277 159 N C -2.589 172.905 175.510 -0.027 0.000 1.126 159 N CA -1.378 51.652 53.050 -0.033 0.000 0.978 159 N CB 0.804 39.290 38.487 -0.002 0.000 1.106 159 N HN -0.006 nan 8.380 nan 0.000 0.461 160 P HA 0.186 nan 4.420 nan 0.000 0.275 160 P C -1.006 176.333 177.300 0.063 0.000 1.227 160 P CA -0.049 62.987 63.100 -0.107 0.000 0.781 160 P CB 1.020 32.383 31.700 -0.563 0.000 0.906 161 R N 1.083 121.727 120.500 0.239 0.000 2.651 161 R HA 0.615 4.955 4.340 -0.000 0.000 0.278 161 R C -1.326 174.981 176.300 0.012 0.000 1.010 161 R CA -1.056 55.084 56.100 0.066 0.000 0.896 161 R CB 2.335 32.664 30.300 0.049 0.000 1.211 161 R HN 0.194 nan 8.270 nan 0.000 0.456 162 V N 3.216 123.059 119.914 -0.119 0.000 2.443 162 V HA 0.418 4.538 4.120 -0.000 0.000 0.293 162 V C -1.054 174.814 176.094 -0.375 0.000 1.021 162 V CA -0.742 61.458 62.300 -0.167 0.000 0.848 162 V CB 1.305 33.101 31.823 -0.045 0.000 0.998 162 V HN 0.550 nan 8.190 nan 0.000 0.424 163 F N 4.457 124.071 119.950 -0.561 0.000 2.350 163 F HA 0.515 5.042 4.527 -0.000 0.000 0.365 163 F C 0.091 175.538 175.800 -0.587 0.000 1.122 163 F CA -0.637 56.986 58.000 -0.627 0.000 1.139 163 F CB 0.393 38.671 39.000 -1.204 0.000 1.220 163 F HN 0.377 nan 8.300 nan 0.000 0.499 164 Y N 3.143 123.389 120.300 -0.091 0.000 2.304 164 Y HA 0.228 4.778 4.550 -0.000 0.000 0.328 164 Y C 1.085 177.016 175.900 0.053 0.000 1.123 164 Y CA -0.205 57.878 58.100 -0.028 0.000 1.218 164 Y CB 1.063 39.514 38.460 -0.016 0.000 1.207 164 Y HN 0.509 nan 8.280 nan 0.000 0.495 165 L N 2.597 123.951 121.223 0.218 0.000 2.529 165 L HA 0.324 4.664 4.340 -0.000 0.000 0.223 165 L C 0.604 177.571 176.870 0.161 0.000 1.113 165 L CA 0.282 55.244 54.840 0.202 0.000 0.861 165 L CB -0.006 42.153 42.059 0.166 0.000 1.012 165 L HN 0.676 nan 8.230 nan 0.000 0.461 166 A N -1.235 121.687 122.820 0.170 0.000 2.609 166 A HA 0.712 5.032 4.320 -0.000 0.000 0.291 166 A C -0.086 177.537 177.584 0.064 0.000 1.096 166 A CA -0.023 52.074 52.037 0.099 0.000 0.684 166 A CB 0.868 19.897 19.000 0.048 0.000 1.282 166 A HN 0.179 nan 8.150 nan 0.000 0.412 167 G N 0.216 109.024 108.800 0.013 0.000 2.760 167 G HA2 0.160 4.120 3.960 -0.000 0.000 0.246 167 G HA3 0.160 4.120 3.960 -0.000 0.000 0.246 167 G C -0.542 174.321 174.900 -0.062 0.000 1.359 167 G CA 0.109 45.183 45.100 -0.044 0.000 0.861 167 G HN 2.038 nan 8.290 nan 0.000 0.541 168 N N 1.332 119.973 118.700 -0.097 0.000 2.804 168 N HA 0.528 5.268 4.740 -0.000 0.000 0.251 168 N C -2.063 173.362 175.510 -0.141 0.000 1.250 168 N CA -1.255 51.743 53.050 -0.087 0.000 0.820 168 N CB 1.838 40.295 38.487 -0.049 0.000 1.156 168 N HN 0.545 nan 8.380 nan 0.000 0.512 169 P HA 0.304 nan 4.420 nan 0.000 0.276 169 P C -0.868 176.355 177.300 -0.128 0.000 1.252 169 P CA -0.186 62.752 63.100 -0.270 0.000 0.802 169 P CB 1.398 32.770 31.700 -0.546 0.000 1.035 170 D N 0.373 120.716 120.400 -0.094 0.000 2.229 170 D HA 0.315 4.955 4.640 -0.000 0.000 0.249 170 D C 0.297 176.599 176.300 0.002 0.000 1.027 170 D CA -0.457 53.524 54.000 -0.032 0.000 0.923 170 D CB 0.584 41.374 40.800 -0.017 0.000 1.174 170 D HN 0.162 nan 8.370 nan 0.000 0.443 171 I N 2.075 122.658 120.570 0.021 0.000 2.668 171 I HA -0.061 4.109 4.170 -0.000 0.000 0.285 171 I C 1.560 177.708 176.117 0.052 0.000 1.168 171 I CA 0.652 61.971 61.300 0.030 0.000 1.424 171 I CB 0.082 38.080 38.000 -0.004 0.000 1.377 171 I HN 0.437 nan 8.210 nan 0.000 0.560 172 E N 4.382 124.600 120.200 0.030 0.000 2.230 172 E HA -0.066 4.283 4.350 -0.000 0.000 0.192 172 E C -0.263 176.119 176.600 -0.362 0.000 0.987 172 E CA 0.881 57.217 56.400 -0.106 0.000 0.841 172 E CB 0.134 29.744 29.700 -0.150 0.000 0.783 172 E HN 0.623 nan 8.360 nan 0.000 0.481 173 H N 0.133 119.229 119.070 0.044 0.000 2.541 173 H HA 0.112 4.668 4.556 -0.000 0.000 0.246 173 H C -1.871 173.398 175.328 -0.097 0.000 1.341 173 H CA -1.784 54.255 56.048 -0.015 0.000 1.469 173 H CB 0.873 30.654 29.762 0.031 0.000 1.472 173 H HN 0.037 nan 8.280 nan 0.000 0.503 174 P HA -0.219 nan 4.420 nan 0.000 0.218 174 P C 1.340 178.578 177.300 -0.103 0.000 1.149 174 P CA 1.119 64.108 63.100 -0.185 0.000 0.817 174 P CB 0.610 32.083 31.700 -0.379 0.000 0.785 175 E N 1.068 121.219 120.200 -0.082 0.000 2.267 175 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 175 E C 1.529 178.114 176.600 -0.026 0.000 0.998 175 E CA 2.170 58.541 56.400 -0.048 0.000 0.830 175 E CB -1.654 28.028 29.700 -0.030 0.000 0.751 175 E HN 0.357 nan 8.360 nan 0.000 0.491 176 T N -1.131 113.418 114.554 -0.007 0.000 2.904 176 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 176 T C 1.966 176.657 174.700 -0.015 0.000 1.059 176 T CA 0.922 63.019 62.100 -0.006 0.000 1.137 176 T CB -0.148 68.725 68.868 0.008 0.000 0.879 176 T HN -0.039 nan 8.240 nan 0.000 0.467 177 M N 1.385 120.972 119.600 -0.023 0.000 2.149 177 M HA 0.047 4.527 4.480 -0.000 0.000 0.261 177 M C 1.404 177.689 176.300 -0.024 0.000 1.064 177 M CA 1.010 56.295 55.300 -0.026 0.000 1.102 177 M CB -1.390 31.191 32.600 -0.033 0.000 1.369 177 M HN 0.501 nan 8.290 nan 0.000 0.408 201 G N -0.611 108.174 108.800 -0.025 0.000 2.326 201 G HA2 0.454 4.414 3.960 -0.000 0.000 0.478 201 G HA3 0.454 4.414 3.960 -0.000 0.000 0.478 201 G C -0.477 174.408 174.900 -0.024 0.000 1.551 201 G CA -0.142 44.942 45.100 -0.027 0.000 0.946 201 G HN 0.933 nan 8.290 nan 0.000 0.671 202 G N -0.576 108.216 108.800 -0.013 0.000 3.243 202 G HA2 0.975 4.935 3.960 -0.000 0.000 0.248 202 G HA3 0.975 4.935 3.960 -0.000 0.000 0.248 202 G C 0.480 175.401 174.900 0.035 0.000 1.267 202 G CA 0.712 45.812 45.100 -0.000 0.000 0.906 202 G HN 2.039 nan 8.290 nan 0.000 0.592 203 S N -1.020 114.721 115.700 0.068 0.000 2.632 203 S HA 0.291 4.761 4.470 -0.000 0.000 0.267 203 S C 1.702 176.392 174.600 0.150 0.000 1.276 203 S CA 0.180 58.461 58.200 0.134 0.000 0.998 203 S CB 1.368 64.654 63.200 0.144 0.000 0.953 203 S HN 1.534 nan 8.310 nan 0.000 0.547 204 V N -0.325 119.715 119.914 0.210 0.000 2.626 204 V HA -0.064 4.056 4.120 -0.000 0.000 0.252 204 V C 1.920 178.219 176.094 0.341 0.000 1.067 204 V CA 1.314 63.773 62.300 0.264 0.000 1.081 204 V CB -1.335 30.710 31.823 0.371 0.000 0.686 204 V HN 0.818 nan 8.190 nan 0.000 0.468 205 L N 1.797 123.224 121.223 0.340 0.000 2.217 205 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 205 L C 2.844 179.923 176.870 0.348 0.000 1.107 205 L CA 1.488 56.582 54.840 0.423 0.000 0.783 205 L CB -0.538 41.707 42.059 0.309 0.000 0.919 205 L HN 0.624 nan 8.230 nan 0.000 0.442 206 S N -0.552 115.271 115.700 0.206 0.000 2.515 206 S HA -0.063 4.406 4.470 -0.000 0.000 0.231 206 S C 1.832 176.480 174.600 0.079 0.000 0.987 206 S CA 0.711 58.990 58.200 0.131 0.000 0.936 206 S CB -0.435 62.812 63.200 0.078 0.000 0.766 206 S HN 0.410 nan 8.310 nan 0.000 0.528 207 G N -0.228 108.589 108.800 0.027 0.000 2.920 207 G HA2 0.301 4.261 3.960 -0.000 0.000 0.208 207 G HA3 0.301 4.261 3.960 -0.000 0.000 0.208 207 G C -0.006 174.680 174.900 -0.356 0.000 1.159 207 G CA -0.180 44.810 45.100 -0.184 0.000 0.784 207 G HN 0.467 nan 8.290 nan 0.000 0.535 208 F N 0.606 120.611 119.950 0.092 0.000 2.523 208 F HA 0.507 5.033 4.527 -0.000 0.000 0.329 208 F C 0.880 176.745 175.800 0.108 0.000 1.061 208 F CA -1.212 56.852 58.000 0.108 0.000 0.967 208 F CB 1.769 40.880 39.000 0.186 0.000 1.218 208 F HN -0.036 nan 8.300 nan 0.000 0.480 209 S N 0.807 116.696 115.700 0.314 0.000 2.603 209 S HA 0.200 4.670 4.470 -0.000 0.000 0.268 209 S C 0.946 175.687 174.600 0.236 0.000 1.317 209 S CA -0.562 57.774 58.200 0.227 0.000 1.012 209 S CB 1.104 64.430 63.200 0.210 0.000 0.926 209 S HN 0.835 nan 8.310 nan 0.000 0.539 210 K N 0.516 121.023 120.400 0.178 0.000 2.211 210 K HA -0.205 4.115 4.320 -0.000 0.000 0.203 210 K C 1.824 178.503 176.600 0.131 0.000 1.050 210 K CA 1.630 58.002 56.287 0.142 0.000 0.945 210 K CB -0.615 31.955 32.500 0.116 0.000 0.732 210 K HN 0.810 nan 8.250 nan 0.000 0.451 211 H N 0.591 119.714 119.070 0.089 0.000 2.293 211 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 211 H C 1.703 177.072 175.328 0.068 0.000 1.082 211 H CA 2.147 58.238 56.048 0.072 0.000 1.308 211 H CB -0.425 29.387 29.762 0.084 0.000 1.375 211 H HN 0.319 nan 8.280 nan 0.000 0.495 212 F N -0.442 119.424 119.950 -0.140 0.000 2.186 212 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 212 F C 1.930 177.534 175.800 -0.326 0.000 1.090 212 F CA 0.606 58.470 58.000 -0.226 0.000 1.307 212 F CB -0.146 38.827 39.000 -0.045 0.000 1.019 212 F HN 0.198 nan 8.300 nan 0.000 0.489 213 L N 0.524 121.586 121.223 -0.269 0.000 2.083 213 L HA -0.126 4.213 4.340 -0.000 0.000 0.209 213 L C 2.678 179.262 176.870 -0.477 0.000 1.083 213 L CA 1.859 56.397 54.840 -0.505 0.000 0.752 213 L CB -1.632 40.376 42.059 -0.085 0.000 0.899 213 L HN 0.225 nan 8.230 nan 0.000 0.433 214 A N -1.420 121.246 122.820 -0.257 0.000 1.902 214 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 214 A C 2.168 179.586 177.584 -0.277 0.000 1.181 214 A CA 1.532 53.464 52.037 -0.176 0.000 0.623 214 A CB -0.371 18.570 19.000 -0.098 0.000 0.818 214 A HN 0.566 nan 8.150 nan 0.000 0.443 215 Q N -0.523 119.010 119.800 -0.445 0.000 2.083 215 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 215 Q C 2.458 178.162 176.000 -0.494 0.000 0.969 215 Q CA 1.537 57.082 55.803 -0.431 0.000 0.838 215 Q CB -0.270 28.183 28.738 -0.476 0.000 0.900 215 Q HN 0.620 nan 8.270 nan 0.000 0.436 216 S N 0.717 115.918 115.700 -0.832 0.000 2.359 216 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 216 S C 1.384 175.692 174.600 -0.486 0.000 1.035 216 S CA 1.242 58.910 58.200 -0.887 0.000 1.018 216 S CB -0.194 62.120 63.200 -1.478 0.000 0.876 216 S HN 0.341 nan 8.310 nan 0.000 0.448 217 F N 1.082 120.873 119.950 -0.265 0.000 2.660 217 F HA 0.301 4.828 4.527 -0.000 0.000 0.302 217 F C 0.598 176.318 175.800 -0.134 0.000 1.103 217 F CA -0.568 57.328 58.000 -0.173 0.000 1.340 217 F CB -0.704 38.208 39.000 -0.146 0.000 1.048 217 F HN 0.104 nan 8.300 nan 0.000 0.551 218 N N 1.085 119.775 118.700 -0.017 0.000 2.725 218 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 218 N C -0.046 175.464 175.510 0.001 0.000 1.031 218 N CA 0.516 53.550 53.050 -0.027 0.000 0.720 218 N CB -0.847 37.631 38.487 -0.015 0.000 0.930 218 N HN 0.254 nan 8.380 nan 0.000 0.543 219 T N -0.322 114.236 114.554 0.007 0.000 2.907 219 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 219 T C -0.620 174.084 174.700 0.005 0.000 1.066 219 T CA -0.806 61.306 62.100 0.021 0.000 1.012 219 T CB 0.986 69.891 68.868 0.062 0.000 1.184 219 T HN 0.370 nan 8.240 nan 0.000 0.522 220 N N 1.555 120.263 118.700 0.014 0.000 2.493 220 N HA 0.248 4.988 4.740 -0.000 0.000 0.275 220 N C 0.947 176.475 175.510 0.028 0.000 1.186 220 N CA -0.503 52.558 53.050 0.017 0.000 0.978 220 N CB 0.422 38.919 38.487 0.016 0.000 1.184 220 N HN 0.528 nan 8.380 nan 0.000 0.487 221 E N 0.030 120.253 120.200 0.039 0.000 2.187 221 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 221 E C 0.618 177.247 176.600 0.048 0.000 1.004 221 E CA 1.639 58.072 56.400 0.054 0.000 0.813 221 E CB -0.257 29.484 29.700 0.068 0.000 0.736 221 E HN 0.838 nan 8.360 nan 0.000 0.468 222 D N 0.316 120.738 120.400 0.036 0.000 2.087 222 D HA -0.133 4.507 4.640 -0.000 0.000 0.192 222 D C 1.847 178.166 176.300 0.031 0.000 0.993 222 D CA 2.186 56.203 54.000 0.030 0.000 0.828 222 D CB -0.110 40.703 40.800 0.020 0.000 0.968 222 D HN 0.002 nan 8.370 nan 0.000 0.448 223 T N -0.234 114.337 114.554 0.029 0.000 2.708 223 T HA -0.097 4.252 4.350 -0.000 0.000 0.266 223 T C 1.976 176.708 174.700 0.053 0.000 1.037 223 T CA 1.719 63.837 62.100 0.030 0.000 1.146 223 T CB -0.699 68.183 68.868 0.023 0.000 0.865 223 T HN 0.308 nan 8.240 nan 0.000 0.435 224 A N 1.366 124.228 122.820 0.070 0.000 1.940 224 A HA -0.200 4.119 4.320 -0.000 0.000 0.219 224 A C 2.209 179.850 177.584 0.095 0.000 1.176 224 A CA 2.094 54.190 52.037 0.099 0.000 0.631 224 A CB -0.666 18.377 19.000 0.072 0.000 0.814 224 A HN 0.657 nan 8.150 nan 0.000 0.446 225 E N -0.416 119.828 120.200 0.073 0.000 2.077 225 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 225 E C 1.765 178.403 176.600 0.062 0.000 0.989 225 E CA 1.239 57.680 56.400 0.069 0.000 0.800 225 E CB -0.068 29.664 29.700 0.053 0.000 0.746 225 E HN 0.334 nan 8.360 nan 0.000 0.452 226 K N 0.521 120.951 120.400 0.049 0.000 2.147 226 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 226 K C 2.177 178.804 176.600 0.046 0.000 1.049 226 K CA 0.634 56.943 56.287 0.036 0.000 0.936 226 K CB -0.306 32.206 32.500 0.020 0.000 0.722 226 K HN 0.317 nan 8.250 nan 0.000 0.446 227 L N 0.461 121.724 121.223 0.068 0.000 2.450 227 L HA -0.125 4.214 4.340 -0.000 0.000 0.224 227 L C 1.905 178.841 176.870 0.110 0.000 1.149 227 L CA 0.920 55.812 54.840 0.086 0.000 0.816 227 L CB -0.192 41.950 42.059 0.139 0.000 0.932 227 L HN 0.108 nan 8.230 nan 0.000 0.449 228 R N -0.999 119.564 120.500 0.105 0.000 2.334 228 R HA 0.133 4.472 4.340 -0.000 0.000 0.216 228 R C 0.678 177.020 176.300 0.070 0.000 0.905 228 R CA 0.126 56.290 56.100 0.107 0.000 1.064 228 R CB 0.287 30.655 30.300 0.112 0.000 1.046 228 R HN 0.088 nan 8.270 nan 0.000 0.508 229 S N 1.190 116.920 115.700 0.050 0.000 3.559 229 S HA -0.094 4.376 4.470 -0.000 0.000 0.369 229 S C -1.329 173.283 174.600 0.020 0.000 0.987 229 S CA 0.609 58.825 58.200 0.026 0.000 1.187 229 S CB -0.597 62.614 63.200 0.017 0.000 0.914 229 S HN 0.412 nan 8.310 nan 0.000 0.480 230 P HA -0.071 nan 4.420 nan 0.000 0.216 230 P C 0.368 177.674 177.300 0.010 0.000 1.150 230 P CA 1.235 64.347 63.100 0.021 0.000 0.837 230 P CB 0.066 31.782 31.700 0.027 0.000 0.786 231 D N -0.431 119.973 120.400 0.007 0.000 2.670 231 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 231 D C -0.184 176.114 176.300 -0.005 0.000 1.286 231 D CA -0.082 53.918 54.000 0.001 0.000 0.830 231 D CB 0.027 40.828 40.800 0.003 0.000 1.065 231 D HN 0.098 nan 8.370 nan 0.000 0.486 232 D N 1.108 121.504 120.400 -0.008 0.000 2.313 232 D HA 0.099 4.739 4.640 -0.000 0.000 0.239 232 D C 0.557 176.843 176.300 -0.023 0.000 1.142 232 D CA -0.002 53.988 54.000 -0.015 0.000 0.847 232 D CB 0.913 41.703 40.800 -0.018 0.000 1.082 232 D HN 0.032 nan 8.370 nan 0.000 0.480 233 E N 2.387 122.574 120.200 -0.022 0.000 2.548 233 E HA 0.125 4.475 4.350 -0.000 0.000 0.206 233 E C 1.212 177.794 176.600 -0.031 0.000 1.005 233 E CA -0.128 56.257 56.400 -0.026 0.000 0.951 233 E CB 0.721 30.410 29.700 -0.019 0.000 1.035 233 E HN 0.330 nan 8.360 nan 0.000 0.470 234 R N 1.110 121.591 120.500 -0.032 0.000 2.236 234 R HA 0.012 4.352 4.340 -0.000 0.000 0.208 234 R C 0.116 176.387 176.300 -0.049 0.000 1.036 234 R CA 0.375 56.456 56.100 -0.032 0.000 1.001 234 R CB -0.051 30.235 30.300 -0.022 0.000 0.896 234 R HN -0.113 nan 8.270 nan 0.000 0.464 235 K N -0.306 120.053 120.400 -0.070 0.000 1.079 235 K HA -0.199 4.121 4.320 -0.000 0.000 0.797 235 K C 1.001 177.517 176.600 -0.141 0.000 2.041 235 K CA 1.347 57.569 56.287 -0.107 0.000 1.300 235 K CB -1.049 31.397 32.500 -0.091 0.000 2.431 235 K HN 0.229 nan 8.250 nan 0.000 0.332 236 Q N 0.852 120.531 119.800 -0.202 0.000 2.291 236 Q HA 0.027 4.367 4.340 -0.000 0.000 0.205 236 Q C 0.875 176.877 176.000 0.003 0.000 0.970 236 Q CA 1.440 57.108 55.803 -0.225 0.000 0.876 236 Q CB 0.033 28.540 28.738 -0.385 0.000 0.935 236 Q HN 0.557 nan 8.270 nan 0.000 0.455 237 I N 2.497 123.055 120.570 -0.019 0.000 2.382 237 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 237 I C -0.253 175.878 176.117 0.024 0.000 1.002 237 I CA -1.215 60.102 61.300 0.028 0.000 1.135 237 I CB 1.957 39.938 38.000 -0.032 0.000 1.288 237 I HN -0.106 nan 8.210 nan 0.000 0.448 238 V N 1.929 121.878 119.914 0.058 0.000 2.994 238 V HA 0.649 4.769 4.120 -0.000 0.000 0.318 238 V C 0.008 176.146 176.094 0.072 0.000 1.085 238 V CA -0.392 61.935 62.300 0.045 0.000 0.998 238 V CB 1.808 33.651 31.823 0.034 0.000 1.063 238 V HN 0.643 nan 8.190 nan 0.000 0.447 239 T N 2.181 116.769 114.554 0.057 0.000 2.749 239 T HA 0.497 4.847 4.350 -0.000 0.000 0.287 239 T C -0.204 174.548 174.700 0.087 0.000 0.970 239 T CA -0.221 61.923 62.100 0.074 0.000 0.980 239 T CB 1.076 69.971 68.868 0.045 0.000 0.924 239 T HN 0.685 nan 8.240 nan 0.000 0.456 240 V N 4.285 124.286 119.914 0.145 0.000 2.356 240 V HA 0.167 4.286 4.120 -0.000 0.000 0.258 240 V C 0.791 176.949 176.094 0.105 0.000 1.065 240 V CA -0.568 61.806 62.300 0.122 0.000 0.935 240 V CB 0.041 31.964 31.823 0.167 0.000 1.061 240 V HN 0.845 nan 8.190 nan 0.000 0.484 241 E N 3.572 123.808 120.200 0.061 0.000 2.366 241 E HA 0.372 4.722 4.350 -0.000 0.000 0.266 241 E C 1.336 177.968 176.600 0.053 0.000 1.015 241 E CA 0.969 57.400 56.400 0.051 0.000 0.906 241 E CB 0.451 30.170 29.700 0.031 0.000 0.979 241 E HN 0.922 nan 8.360 nan 0.000 0.443 242 G N 2.750 111.586 108.800 0.061 0.000 2.241 242 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 242 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 242 G C 0.543 175.499 174.900 0.094 0.000 0.998 242 G CA -0.146 44.991 45.100 0.062 0.000 0.621 242 G HN 1.474 nan 8.290 nan 0.000 0.519 243 G N -1.378 107.499 108.800 0.129 0.000 2.675 243 G HA2 0.292 4.251 3.960 -0.000 0.000 0.686 243 G HA3 0.292 4.251 3.960 -0.000 0.000 0.686 243 G C -0.517 174.466 174.900 0.138 0.000 1.215 243 G CA 0.003 45.230 45.100 0.213 0.000 0.777 243 G HN 1.655 nan 8.290 nan 0.000 0.638 244 L N 1.035 122.304 121.223 0.078 0.000 2.350 244 L HA 0.816 5.156 4.340 -0.000 0.000 0.275 244 L C 0.671 177.579 176.870 0.064 0.000 1.099 244 L CA 0.273 54.992 54.840 -0.203 0.000 0.808 244 L CB 1.819 43.309 42.059 -0.949 0.000 1.149 244 L HN 1.125 nan 8.230 nan 0.000 0.442 245 S N 4.383 120.025 115.700 -0.097 0.000 2.561 245 S HA 0.820 5.289 4.470 -0.000 0.000 0.303 245 S C -0.904 173.442 174.600 -0.423 0.000 1.110 245 S CA -0.249 57.849 58.200 -0.170 0.000 1.034 245 S CB 0.820 63.982 63.200 -0.064 0.000 1.010 245 S HN 0.808 nan 8.310 nan 0.000 0.482 246 V N 2.776 122.210 119.914 -0.800 0.000 3.160 246 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 246 V C -0.640 175.241 176.094 -0.355 0.000 1.181 246 V CA -1.268 60.677 62.300 -0.592 0.000 1.047 246 V CB 1.452 32.805 31.823 -0.783 0.000 1.068 246 V HN 0.817 nan 8.190 nan 0.000 0.441 247 I N 2.601 123.258 120.570 0.146 0.000 2.471 247 I HA 0.608 4.777 4.170 -0.000 0.000 0.286 247 I C 0.391 176.699 176.117 0.318 0.000 1.079 247 I CA 0.662 62.067 61.300 0.174 0.000 1.398 247 I CB 0.951 39.024 38.000 0.120 0.000 1.403 247 I HN 0.883 nan 8.210 nan 0.000 0.530 248 S N 6.016 121.839 115.700 0.204 0.000 2.606 248 S HA 0.302 4.772 4.470 -0.000 0.000 0.290 248 S C -2.125 172.622 174.600 0.245 0.000 1.103 248 S CA -0.803 57.618 58.200 0.369 0.000 0.870 248 S CB 1.346 64.870 63.200 0.540 0.000 1.077 248 S HN 0.395 nan 8.310 nan 0.000 0.448 249 P HA -0.055 nan 4.420 nan 0.000 0.215 249 P C -0.468 176.930 177.300 0.163 0.000 1.157 249 P CA 1.338 64.510 63.100 0.120 0.000 0.874 249 P CB 0.013 31.770 31.700 0.095 0.000 0.790 250 K N -1.932 118.606 120.400 0.231 0.000 2.270 250 K HA 0.465 4.785 4.320 -0.000 0.000 0.255 250 K C -1.119 175.690 176.600 0.347 0.000 0.936 250 K CA -0.899 55.486 56.287 0.163 0.000 0.809 250 K CB 1.735 34.224 32.500 -0.017 0.000 1.131 250 K HN 0.044 nan 8.250 nan 0.000 0.427 322 V N -0.863 119.041 119.914 -0.017 0.000 2.660 322 V HA -0.087 4.033 4.120 -0.000 0.000 0.257 322 V C 2.118 178.188 176.094 -0.039 0.000 1.088 322 V CA 2.949 65.233 62.300 -0.027 0.000 1.106 322 V CB -1.107 30.704 31.823 -0.020 0.000 0.686 322 V HN 0.665 nan 8.190 nan 0.000 0.481 323 E N 1.356 121.541 120.200 -0.026 0.000 2.000 323 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 323 E C 2.106 178.683 176.600 -0.039 0.000 1.011 323 E CA 1.861 58.245 56.400 -0.026 0.000 0.836 323 E CB -0.631 29.069 29.700 0.000 0.000 0.778 323 E HN 0.738 nan 8.360 nan 0.000 0.462 324 E N 0.652 120.839 120.200 -0.022 0.000 2.271 324 E HA -0.293 4.057 4.350 -0.000 0.000 0.209 324 E C 1.173 177.749 176.600 -0.040 0.000 1.046 324 E CA 1.787 58.174 56.400 -0.021 0.000 0.840 324 E CB -0.453 29.238 29.700 -0.015 0.000 0.738 324 E HN 0.397 nan 8.360 nan 0.000 0.470 325 N N -0.409 118.256 118.700 -0.058 0.000 2.137 325 N HA 0.004 4.744 4.740 -0.000 0.000 0.170 325 N C 1.445 176.880 175.510 -0.125 0.000 1.308 325 N CA -0.390 52.614 53.050 -0.076 0.000 1.065 325 N CB -0.757 37.694 38.487 -0.060 0.000 1.282 325 N HN -0.105 nan 8.380 nan 0.000 0.393 326 I N 1.086 121.582 120.570 -0.123 0.000 2.121 326 I HA -0.333 3.836 4.170 -0.000 0.000 0.243 326 I C 1.224 177.151 176.117 -0.316 0.000 1.047 326 I CA 1.828 63.026 61.300 -0.169 0.000 1.308 326 I CB -0.932 37.007 38.000 -0.101 0.000 1.015 326 I HN 0.498 nan 8.210 nan 0.000 0.410 327 c N 0.421 118.865 118.600 -0.260 0.000 2.413 327 c HA -0.111 4.459 4.570 -0.000 0.000 0.292 327 c C 2.102 175.910 174.090 -0.470 0.000 1.435 327 c CA 1.487 57.608 56.329 -0.346 0.000 1.791 327 c CB -1.569 40.858 42.510 -0.138 0.000 1.784 327 c HN 0.704 nan 8.230 nan 0.000 0.548 328 T N 0.467 114.804 114.554 -0.362 0.000 3.516 328 T HA 0.278 4.627 4.350 -0.000 0.000 0.300 328 T C 0.227 174.786 174.700 -0.235 0.000 0.995 328 T CA -0.433 61.503 62.100 -0.273 0.000 0.982 328 T CB -0.433 68.374 68.868 -0.101 0.000 1.199 328 T HN 0.530 nan 8.240 nan 0.000 0.481 329 M N 0.811 120.212 119.600 -0.332 0.000 2.250 329 M HA 0.351 4.831 4.480 -0.000 0.000 0.337 329 M C 0.196 176.422 176.300 -0.123 0.000 1.161 329 M CA 0.017 55.197 55.300 -0.201 0.000 1.088 329 M CB 0.250 32.732 32.600 -0.197 0.000 1.639 329 M HN -0.059 nan 8.290 nan 0.000 0.447 330 K N 3.158 123.524 120.400 -0.057 0.000 2.412 330 K HA 0.164 4.484 4.320 -0.000 0.000 0.284 330 K C -0.476 176.136 176.600 0.019 0.000 1.046 330 K CA 0.065 56.350 56.287 -0.004 0.000 0.999 330 K CB 0.228 32.718 32.500 -0.017 0.000 0.941 330 K HN 0.876 nan 8.250 nan 0.000 0.474 331 L N 4.889 126.156 121.223 0.074 0.000 3.122 331 L HA 0.203 4.542 4.340 -0.000 0.000 0.274 331 L C -0.578 176.427 176.870 0.224 0.000 1.222 331 L CA -0.568 54.327 54.840 0.092 0.000 1.028 331 L CB 0.030 42.035 42.059 -0.090 0.000 1.386 331 L HN 0.753 nan 8.230 nan 0.000 0.578 332 H N -1.869 117.253 119.070 0.086 0.000 3.085 332 H HA 0.707 5.263 4.556 -0.000 0.000 0.356 332 H C -1.338 174.038 175.328 0.079 0.000 1.178 332 H CA -0.756 55.349 56.048 0.096 0.000 1.214 332 H CB 1.901 31.744 29.762 0.135 0.000 1.881 332 H HN -0.061 nan 8.280 nan 0.000 0.538 333 E N 2.290 122.422 120.200 -0.113 0.000 2.354 333 E HA 0.234 4.584 4.350 -0.000 0.000 0.283 333 E C -1.567 175.014 176.600 -0.032 0.000 0.938 333 E CA -0.760 55.540 56.400 -0.166 0.000 0.777 333 E CB 1.621 31.270 29.700 -0.085 0.000 1.222 333 E HN 0.750 nan 8.360 nan 0.000 0.423 334 N N 3.531 122.208 118.700 -0.037 0.000 2.513 334 N HA 0.192 4.932 4.740 -0.000 0.000 0.268 334 N C 0.186 175.667 175.510 -0.048 0.000 1.180 334 N CA 0.349 53.391 53.050 -0.012 0.000 0.948 334 N CB 0.607 39.087 38.487 -0.012 0.000 1.083 334 N HN 0.688 nan 8.380 nan 0.000 0.455 335 I N 2.258 122.777 120.570 -0.085 0.000 4.471 335 I HA 0.282 4.452 4.170 -0.000 0.000 0.326 335 I C 1.093 177.089 176.117 -0.201 0.000 1.300 335 I CA 0.089 61.330 61.300 -0.098 0.000 1.237 335 I CB 0.170 38.139 38.000 -0.052 0.000 1.195 335 I HN 0.666 nan 8.210 nan 0.000 0.427 336 A N 0.861 123.455 122.820 -0.376 0.000 2.195 336 A HA 0.222 4.542 4.320 -0.000 0.000 0.210 336 A C 1.060 178.483 177.584 -0.268 0.000 1.165 336 A CA -0.145 51.517 52.037 -0.625 0.000 0.806 336 A CB -0.166 18.208 19.000 -1.043 0.000 0.847 336 A HN 0.241 nan 8.150 nan 0.000 0.482 337 R N 0.357 120.764 120.500 -0.155 0.000 2.585 337 R HA 0.078 4.418 4.340 -0.000 0.000 0.275 337 R C -1.742 174.516 176.300 -0.071 0.000 1.018 337 R CA -0.984 55.063 56.100 -0.088 0.000 1.072 337 R CB 0.053 30.314 30.300 -0.064 0.000 0.953 337 R HN 0.119 nan 8.270 nan 0.000 0.419 338 P HA -0.227 nan 4.420 nan 0.000 0.215 338 P C 1.215 178.440 177.300 -0.126 0.000 1.157 338 P CA 1.636 64.691 63.100 -0.076 0.000 0.874 338 P CB 0.110 31.774 31.700 -0.060 0.000 0.790 339 S N -0.852 114.786 115.700 -0.104 0.000 2.469 339 S HA -0.129 4.340 4.470 -0.000 0.000 0.238 339 S C 1.792 176.335 174.600 -0.095 0.000 0.998 339 S CA 0.904 59.041 58.200 -0.106 0.000 0.957 339 S CB -0.854 62.302 63.200 -0.072 0.000 0.764 339 S HN 0.060 nan 8.310 nan 0.000 0.514 340 R N 1.590 122.041 120.500 -0.082 0.000 2.313 340 R HA 0.433 4.773 4.340 -0.000 0.000 0.199 340 R C 0.754 177.013 176.300 -0.067 0.000 0.958 340 R CA 0.436 56.495 56.100 -0.068 0.000 1.047 340 R CB -0.353 29.912 30.300 -0.058 0.000 0.955 340 R HN 0.512 nan 8.270 nan 0.000 0.481 341 A N 0.969 123.737 122.820 -0.086 0.000 2.540 341 A HA -0.047 4.272 4.320 -0.000 0.000 0.239 341 A C 0.223 177.766 177.584 -0.068 0.000 1.061 341 A CA 0.201 52.197 52.037 -0.069 0.000 0.758 341 A CB 0.226 19.159 19.000 -0.111 0.000 0.991 341 A HN 0.206 nan 8.150 nan 0.000 0.502 342 D N 0.596 120.962 120.400 -0.057 0.000 2.338 342 D HA 0.162 4.801 4.640 -0.000 0.000 0.208 342 D C -0.566 175.551 176.300 -0.304 0.000 0.997 342 D CA 1.054 54.955 54.000 -0.166 0.000 0.880 342 D CB 0.207 40.910 40.800 -0.162 0.000 0.980 342 D HN 0.482 nan 8.370 nan 0.000 0.509 343 F N 0.123 120.029 119.950 -0.073 0.000 2.540 343 F HA 0.429 4.956 4.527 -0.000 0.000 0.317 343 F C -0.742 175.065 175.800 0.011 0.000 1.104 343 F CA -1.067 56.881 58.000 -0.085 0.000 0.913 343 F CB 2.071 40.943 39.000 -0.212 0.000 1.170 343 F HN -0.272 nan 8.300 nan 0.000 0.450 344 Y N 3.272 123.605 120.300 0.055 0.000 2.436 344 Y HA 0.371 4.921 4.550 -0.000 0.000 0.327 344 Y C -1.715 174.188 175.900 0.005 0.000 1.138 344 Y CA -0.896 57.204 58.100 -0.000 0.000 1.042 344 Y CB 1.358 39.821 38.460 0.005 0.000 1.302 344 Y HN 0.586 nan 8.280 nan 0.000 0.439 345 N N 8.281 126.699 118.700 -0.471 0.000 2.549 345 N HA 0.299 5.038 4.740 -0.000 0.000 0.281 345 N C -2.414 172.745 175.510 -0.586 0.000 1.084 345 N CA -2.371 50.395 53.050 -0.474 0.000 0.862 345 N CB 2.382 40.741 38.487 -0.214 0.000 1.333 345 N HN 0.413 nan 8.380 nan 0.000 0.523 346 P HA -0.156 nan 4.420 nan 0.000 0.219 346 P C 0.296 177.627 177.300 0.051 0.000 1.144 346 P CA 1.312 64.220 63.100 -0.321 0.000 0.806 346 P CB 0.538 32.104 31.700 -0.224 0.000 0.771 347 K N -1.584 118.822 120.400 0.010 0.000 2.353 347 K HA 0.295 4.615 4.320 -0.000 0.000 0.195 347 K C 1.775 178.479 176.600 0.173 0.000 1.031 347 K CA 0.477 56.816 56.287 0.086 0.000 1.079 347 K CB 0.467 32.975 32.500 0.013 0.000 0.857 347 K HN 0.059 nan 8.250 nan 0.000 0.535 348 A N 0.732 123.624 122.820 0.119 0.000 1.964 348 A HA 0.518 4.838 4.320 -0.000 0.000 0.198 348 A C 0.826 178.257 177.584 -0.255 0.000 1.599 348 A CA 0.817 52.854 52.037 -0.000 0.000 0.968 348 A CB 0.674 19.627 19.000 -0.078 0.000 1.029 348 A HN 0.285 nan 8.150 nan 0.000 0.508 349 G N -0.710 107.839 108.800 -0.419 0.000 2.351 349 G HA2 0.471 4.431 3.960 -0.000 0.000 0.279 349 G HA3 0.471 4.431 3.960 -0.000 0.000 0.279 349 G C -1.450 173.281 174.900 -0.282 0.000 1.297 349 G CA -0.271 44.359 45.100 -0.783 0.000 0.886 349 G HN 0.980 nan 8.290 nan 0.000 0.493 350 R N -1.202 119.137 120.500 -0.267 0.000 2.707 350 R HA 0.823 5.163 4.340 -0.000 0.000 0.272 350 R C -1.600 174.591 176.300 -0.183 0.000 1.011 350 R CA -1.018 55.034 56.100 -0.080 0.000 0.893 350 R CB 1.813 32.119 30.300 0.010 0.000 1.233 350 R HN 0.530 nan 8.270 nan 0.000 0.464 351 I N 1.225 121.734 120.570 -0.102 0.000 2.533 351 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 351 I C -0.793 175.336 176.117 0.020 0.000 1.056 351 I CA -0.741 60.486 61.300 -0.123 0.000 1.057 351 I CB 2.633 40.491 38.000 -0.237 0.000 1.240 351 I HN 0.656 nan 8.210 nan 0.000 0.423 352 S N 2.975 118.681 115.700 0.010 0.000 2.500 352 S HA 0.633 5.103 4.470 -0.000 0.000 0.301 352 S C -0.510 174.112 174.600 0.038 0.000 1.092 352 S CA -0.616 57.602 58.200 0.029 0.000 1.030 352 S CB 2.125 65.343 63.200 0.030 0.000 1.031 352 S HN 0.540 nan 8.310 nan 0.000 0.483 353 T N 2.877 117.451 114.554 0.034 0.000 2.829 353 T HA 0.584 4.934 4.350 -0.000 0.000 0.280 353 T C -1.200 173.517 174.700 0.027 0.000 0.999 353 T CA -0.458 61.665 62.100 0.039 0.000 0.983 353 T CB 1.115 70.014 68.868 0.051 0.000 0.968 353 T HN 0.365 nan 8.240 nan 0.000 0.446 354 L N 4.897 126.143 121.223 0.038 0.000 2.372 354 L HA 0.689 5.029 4.340 -0.000 0.000 0.274 354 L C -0.791 176.116 176.870 0.061 0.000 0.988 354 L CA -0.353 54.511 54.840 0.040 0.000 0.833 354 L CB 0.657 42.740 42.059 0.040 0.000 1.236 354 L HN 0.827 nan 8.230 nan 0.000 0.410 355 N N 0.904 119.640 118.700 0.060 0.000 3.316 355 N HA 0.357 5.097 4.740 -0.000 0.000 0.300 355 N C 0.427 175.989 175.510 0.086 0.000 1.567 355 N CA -0.213 52.889 53.050 0.086 0.000 0.821 355 N CB 0.295 38.829 38.487 0.078 0.000 1.748 355 N HN 0.245 nan 8.380 nan 0.000 0.603 356 S N -0.952 114.829 115.700 0.135 0.000 2.465 356 S HA -0.110 4.360 4.470 -0.000 0.000 0.241 356 S C 1.356 175.990 174.600 0.056 0.000 1.000 356 S CA 0.834 59.097 58.200 0.106 0.000 0.964 356 S CB -0.584 62.742 63.200 0.209 0.000 0.763 356 S HN 0.431 nan 8.310 nan 0.000 0.512 357 L N 1.997 123.255 121.223 0.059 0.000 2.395 357 L HA 0.095 4.434 4.340 -0.000 0.000 0.218 357 L C 2.717 179.592 176.870 0.008 0.000 1.130 357 L CA 1.596 56.453 54.840 0.028 0.000 0.826 357 L CB -0.700 41.374 42.059 0.025 0.000 0.941 357 L HN 0.701 nan 8.230 nan 0.000 0.451 358 T N -4.763 109.798 114.554 0.011 0.000 3.018 358 T HA 0.214 4.564 4.350 -0.000 0.000 0.246 358 T C 0.443 175.138 174.700 -0.009 0.000 1.026 358 T CA -0.047 62.050 62.100 -0.004 0.000 1.081 358 T CB 0.258 69.123 68.868 -0.004 0.000 0.970 358 T HN -0.066 nan 8.240 nan 0.000 0.475 359 L N 2.507 123.732 121.223 0.003 0.000 2.454 359 L HA 0.531 4.871 4.340 -0.000 0.000 0.258 359 L C -2.317 174.543 176.870 -0.017 0.000 1.025 359 L CA -2.390 52.449 54.840 -0.002 0.000 0.901 359 L CB 2.007 44.080 42.059 0.023 0.000 1.210 359 L HN -0.206 nan 8.230 nan 0.000 0.457 360 P HA -0.238 nan 4.420 nan 0.000 0.218 360 P C 1.439 178.642 177.300 -0.163 0.000 1.154 360 P CA 2.047 65.095 63.100 -0.087 0.000 0.872 360 P CB 0.311 31.962 31.700 -0.081 0.000 0.790 361 A N -0.836 121.883 122.820 -0.168 0.000 2.024 361 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 361 A C 2.137 179.345 177.584 -0.626 0.000 1.164 361 A CA 1.372 53.198 52.037 -0.351 0.000 0.643 361 A CB -1.653 17.283 19.000 -0.108 0.000 0.806 361 A HN 0.158 nan 8.150 nan 0.000 0.451 362 L N -0.943 120.138 121.223 -0.236 0.000 2.187 362 L HA -0.220 4.119 4.340 -0.000 0.000 0.213 362 L C 2.686 179.445 176.870 -0.186 0.000 1.100 362 L CA 1.634 56.416 54.840 -0.097 0.000 0.765 362 L CB -0.526 41.581 42.059 0.080 0.000 0.904 362 L HN 0.543 nan 8.230 nan 0.000 0.437 363 R N 0.543 120.872 120.500 -0.286 0.000 2.117 363 R HA -0.249 4.091 4.340 -0.000 0.000 0.243 363 R C 2.075 178.121 176.300 -0.424 0.000 1.143 363 R CA 1.852 57.674 56.100 -0.463 0.000 0.968 363 R CB -0.033 30.005 30.300 -0.436 0.000 0.863 363 R HN 0.352 nan 8.270 nan 0.000 0.444 364 Q N -0.986 118.514 119.800 -0.500 0.000 2.389 364 Q HA 0.026 4.365 4.340 -0.000 0.000 0.204 364 Q C 0.772 176.686 176.000 -0.142 0.000 0.944 364 Q CA 0.812 56.382 55.803 -0.388 0.000 0.908 364 Q CB 0.326 28.778 28.738 -0.475 0.000 1.002 364 Q HN 0.343 nan 8.270 nan 0.000 0.493 365 F N -1.020 118.935 119.950 0.009 0.000 2.695 365 F HA 0.398 4.925 4.527 -0.000 0.000 0.303 365 F C 1.348 177.180 175.800 0.054 0.000 1.091 365 F CA -0.216 57.808 58.000 0.040 0.000 1.300 365 F CB -0.231 38.793 39.000 0.040 0.000 1.071 365 F HN 0.033 nan 8.300 nan 0.000 0.578 366 G N 1.629 110.529 108.800 0.167 0.000 2.305 366 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.287 366 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.287 366 G C -0.297 174.687 174.900 0.140 0.000 1.036 366 G CA 0.293 45.459 45.100 0.109 0.000 0.887 366 G HN 0.353 nan 8.290 nan 0.000 0.505 367 L N -0.480 120.857 121.223 0.190 0.000 2.393 367 L HA 0.840 5.179 4.340 -0.000 0.000 0.260 367 L C 0.251 177.237 176.870 0.194 0.000 1.002 367 L CA -0.344 54.611 54.840 0.193 0.000 0.818 367 L CB 2.557 44.739 42.059 0.206 0.000 1.369 367 L HN 0.553 nan 8.230 nan 0.000 0.412 368 S N 0.713 116.525 115.700 0.186 0.000 2.643 368 S HA 0.994 5.464 4.470 -0.000 0.000 0.270 368 S C -1.150 173.540 174.600 0.150 0.000 1.166 368 S CA -0.300 57.994 58.200 0.156 0.000 0.815 368 S CB 2.331 65.609 63.200 0.129 0.000 1.139 368 S HN 1.014 nan 8.310 nan 0.000 0.472 369 A N 0.060 122.939 122.820 0.098 0.000 2.581 369 A HA 0.854 5.174 4.320 -0.000 0.000 0.290 369 A C -1.813 175.785 177.584 0.023 0.000 1.119 369 A CA -0.778 51.282 52.037 0.039 0.000 0.670 369 A CB 1.470 20.457 19.000 -0.021 0.000 1.280 369 A HN 0.813 nan 8.150 nan 0.000 0.425 370 Q N -0.781 119.013 119.800 -0.010 0.000 2.416 370 Q HA 0.493 4.833 4.340 -0.000 0.000 0.281 370 Q C -2.187 173.798 176.000 -0.025 0.000 1.067 370 Q CA -0.513 55.291 55.803 0.003 0.000 0.809 370 Q CB 2.998 31.745 28.738 0.014 0.000 1.418 370 Q HN 0.694 nan 8.270 nan 0.000 0.411 371 Y N 1.092 121.298 120.300 -0.156 0.000 2.331 371 Y HA 0.508 5.058 4.550 -0.000 0.000 0.334 371 Y C -1.257 174.462 175.900 -0.301 0.000 0.960 371 Y CA -0.651 57.321 58.100 -0.214 0.000 1.130 371 Y CB 1.154 39.530 38.460 -0.140 0.000 1.164 371 Y HN 0.363 nan 8.280 nan 0.000 0.458 372 V N 6.791 126.145 119.914 -0.934 0.000 2.459 372 V HA 0.521 4.641 4.120 -0.000 0.000 0.295 372 V C -0.851 174.773 176.094 -0.783 0.000 1.029 372 V CA -0.888 60.896 62.300 -0.861 0.000 0.874 372 V CB 1.570 32.669 31.823 -1.207 0.000 0.985 372 V HN 0.531 nan 8.190 nan 0.000 0.438 373 V N 6.332 125.980 119.914 -0.443 0.000 2.409 373 V HA 0.477 4.597 4.120 -0.000 0.000 0.290 373 V C -0.434 175.446 176.094 -0.358 0.000 1.017 373 V CA -0.354 61.769 62.300 -0.295 0.000 0.841 373 V CB 1.621 33.373 31.823 -0.118 0.000 1.003 373 V HN 0.647 nan 8.190 nan 0.000 0.426 374 L N 5.463 126.546 121.223 -0.234 0.000 2.322 374 L HA 0.594 4.934 4.340 -0.000 0.000 0.281 374 L C -0.428 176.383 176.870 -0.098 0.000 1.014 374 L CA -0.548 54.156 54.840 -0.226 0.000 0.815 374 L CB 1.433 43.463 42.059 -0.048 0.000 1.247 374 L HN 0.515 nan 8.230 nan 0.000 0.421 375 Y N 0.980 121.294 120.300 0.023 0.000 2.282 375 Y HA 0.249 4.798 4.550 -0.000 0.000 0.335 375 Y C 0.894 176.810 175.900 0.027 0.000 1.335 375 Y CA -0.987 57.130 58.100 0.028 0.000 1.529 375 Y CB 0.476 38.953 38.460 0.027 0.000 1.429 375 Y HN 0.506 nan 8.280 nan 0.000 0.563 376 R N 2.050 122.676 120.500 0.211 0.000 2.485 376 R HA -0.194 4.146 4.340 -0.000 0.000 0.304 376 R C -0.089 176.270 176.300 0.098 0.000 0.934 376 R CA 0.632 56.803 56.100 0.118 0.000 1.102 376 R CB -0.336 30.013 30.300 0.082 0.000 0.906 376 R HN 0.877 nan 8.270 nan 0.000 0.407 377 N N 1.098 119.843 118.700 0.075 0.000 2.815 377 N HA -0.159 4.580 4.740 -0.000 0.000 0.247 377 N C -0.021 175.524 175.510 0.058 0.000 1.030 377 N CA 1.496 54.582 53.050 0.059 0.000 0.881 377 N CB -1.300 37.217 38.487 0.050 0.000 1.134 377 N HN 0.797 nan 8.380 nan 0.000 0.582 378 G N 0.388 109.226 108.800 0.063 0.000 2.441 378 G HA2 0.474 4.433 3.960 -0.000 0.000 0.243 378 G HA3 0.474 4.433 3.960 -0.000 0.000 0.243 378 G C 0.222 175.141 174.900 0.031 0.000 1.281 378 G CA -0.202 44.917 45.100 0.032 0.000 0.854 378 G HN 0.287 nan 8.290 nan 0.000 0.560 379 I N 1.248 121.833 120.570 0.025 0.000 2.474 379 I HA 0.175 4.345 4.170 -0.000 0.000 0.294 379 I C -1.113 175.056 176.117 0.086 0.000 1.005 379 I CA -0.982 60.357 61.300 0.065 0.000 1.113 379 I CB 2.251 40.290 38.000 0.065 0.000 1.289 379 I HN 0.399 nan 8.210 nan 0.000 0.436 380 Y N 6.647 126.934 120.300 -0.022 0.000 2.593 380 Y HA 0.316 4.866 4.550 -0.000 0.000 0.331 380 Y C 0.514 176.435 175.900 0.035 0.000 0.986 380 Y CA -1.726 56.328 58.100 -0.076 0.000 1.262 380 Y CB 0.443 38.879 38.460 -0.040 0.000 1.098 380 Y HN 0.665 nan 8.280 nan 0.000 0.506 381 S N 5.810 121.676 115.700 0.278 0.000 2.569 381 S HA 0.195 4.665 4.470 -0.000 0.000 0.274 381 S C -2.712 172.047 174.600 0.265 0.000 1.353 381 S CA -1.134 57.191 58.200 0.208 0.000 1.023 381 S CB 0.177 63.476 63.200 0.165 0.000 0.876 381 S HN 0.537 nan 8.310 nan 0.000 0.540 382 P HA 0.017 nan 4.420 nan 0.000 0.255 382 P C -0.220 177.211 177.300 0.218 0.000 1.151 382 P CA 0.973 64.150 63.100 0.127 0.000 0.767 382 P CB -0.188 31.570 31.700 0.096 0.000 0.736 383 H N 1.837 120.917 119.070 0.016 0.000 2.977 383 H HA 0.706 5.262 4.556 -0.000 0.000 0.350 383 H C -1.203 174.222 175.328 0.162 0.000 1.238 383 H CA -1.023 55.046 56.048 0.035 0.000 1.124 383 H CB 1.171 30.847 29.762 -0.143 0.000 1.866 383 H HN 0.553 nan 8.280 nan 0.000 0.550 384 W N 0.680 121.982 121.300 0.003 0.000 3.118 384 W HA 0.567 5.227 4.660 -0.000 0.000 0.328 384 W C -2.060 174.480 176.519 0.035 0.000 1.239 384 W CA -0.878 56.446 57.345 -0.035 0.000 1.176 384 W CB 0.740 30.189 29.460 -0.019 0.000 1.433 384 W HN 0.525 nan 8.180 nan 0.000 0.562 385 N N 2.106 120.916 118.700 0.183 0.000 2.426 385 N HA 0.319 5.058 4.740 -0.000 0.000 0.275 385 N C 0.453 176.076 175.510 0.188 0.000 1.019 385 N CA -0.609 52.478 53.050 0.062 0.000 0.941 385 N CB 1.702 40.230 38.487 0.068 0.000 1.123 385 N HN 0.366 nan 8.380 nan 0.000 0.486 386 L N 2.159 123.411 121.223 0.048 0.000 2.072 386 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 386 L C 1.124 178.044 176.870 0.082 0.000 1.079 386 L CA 1.406 56.339 54.840 0.156 0.000 0.752 386 L CB -0.495 41.594 42.059 0.051 0.000 0.906 386 L HN 0.745 nan 8.230 nan 0.000 0.436 387 N N -1.421 117.262 118.700 -0.028 0.000 2.351 387 N HA 0.542 5.282 4.740 -0.000 0.000 0.254 387 N C -0.192 175.300 175.510 -0.029 0.000 1.241 387 N CA 0.157 53.163 53.050 -0.074 0.000 0.883 387 N CB 0.896 39.217 38.487 -0.277 0.000 1.202 387 N HN 0.113 nan 8.380 nan 0.000 0.512 388 A N 0.302 123.137 122.820 0.025 0.000 2.599 388 A HA 0.377 4.697 4.320 -0.000 0.000 0.294 388 A C -1.605 176.004 177.584 0.042 0.000 1.055 388 A CA -0.915 51.158 52.037 0.060 0.000 0.683 388 A CB 0.968 20.020 19.000 0.087 0.000 1.278 388 A HN 0.183 nan 8.150 nan 0.000 0.412 389 N N 0.558 119.275 118.700 0.029 0.000 2.513 389 N HA 0.661 5.401 4.740 -0.000 0.000 0.274 389 N C -0.369 175.148 175.510 0.011 0.000 1.189 389 N CA 0.147 53.188 53.050 -0.016 0.000 0.975 389 N CB 1.477 39.941 38.487 -0.039 0.000 1.157 389 N HN 0.587 nan 8.380 nan 0.000 0.465 390 S N -0.083 115.609 115.700 -0.012 0.000 2.570 390 S HA 0.605 5.075 4.470 -0.000 0.000 0.286 390 S C -0.727 173.875 174.600 0.003 0.000 1.099 390 S CA -0.708 57.507 58.200 0.024 0.000 0.913 390 S CB 1.984 65.199 63.200 0.025 0.000 1.085 390 S HN 0.208 nan 8.310 nan 0.000 0.480 391 V N 2.918 122.873 119.914 0.069 0.000 2.447 391 V HA 0.433 4.553 4.120 -0.000 0.000 0.292 391 V C -0.665 175.495 176.094 0.109 0.000 1.021 391 V CA -0.471 61.862 62.300 0.056 0.000 0.850 391 V CB 1.178 33.047 31.823 0.075 0.000 1.005 391 V HN 0.788 nan 8.190 nan 0.000 0.426 392 I N 4.777 125.341 120.570 -0.010 0.000 2.428 392 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 392 I C -0.869 175.268 176.117 0.033 0.000 1.019 392 I CA -0.482 60.803 61.300 -0.025 0.000 1.351 392 I CB 1.034 38.878 38.000 -0.260 0.000 1.412 392 I HN 0.646 nan 8.210 nan 0.000 0.513 393 Y N 6.142 126.443 120.300 0.002 0.000 2.329 393 Y HA 0.447 4.997 4.550 -0.000 0.000 0.328 393 Y C -0.825 175.122 175.900 0.078 0.000 0.992 393 Y CA -0.855 57.266 58.100 0.034 0.000 1.151 393 Y CB 1.275 39.803 38.460 0.113 0.000 1.150 393 Y HN 0.223 nan 8.280 nan 0.000 0.450 394 V N 6.190 125.764 119.914 -0.566 0.000 2.470 394 V HA 0.080 4.200 4.120 -0.000 0.000 0.276 394 V C 1.002 176.871 176.094 -0.375 0.000 1.040 394 V CA 0.943 63.049 62.300 -0.323 0.000 1.008 394 V CB 0.789 32.469 31.823 -0.240 0.000 0.990 394 V HN 0.975 nan 8.190 nan 0.000 0.477 395 T N 2.119 116.663 114.554 -0.017 0.000 3.037 395 T HA 0.240 4.590 4.350 -0.000 0.000 0.252 395 T C 0.718 175.492 174.700 0.124 0.000 1.073 395 T CA 0.103 62.301 62.100 0.164 0.000 1.091 395 T CB 0.438 69.507 68.868 0.335 0.000 0.935 395 T HN 0.497 nan 8.240 nan 0.000 0.488 396 R N -0.476 120.068 120.500 0.074 0.000 2.634 396 R HA 0.483 4.823 4.340 -0.000 0.000 0.263 396 R C 0.043 176.376 176.300 0.056 0.000 1.060 396 R CA 0.301 56.447 56.100 0.077 0.000 0.898 396 R CB 1.463 31.829 30.300 0.109 0.000 1.253 396 R HN 0.465 nan 8.270 nan 0.000 0.461 397 G N 2.488 111.320 108.800 0.054 0.000 2.598 397 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 397 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 397 G C -0.996 173.925 174.900 0.035 0.000 1.302 397 G CA 0.448 45.578 45.100 0.050 0.000 0.903 397 G HN 0.702 nan 8.290 nan 0.000 0.575 398 K N -0.984 119.440 120.400 0.039 0.000 2.568 398 K HA 0.656 4.976 4.320 -0.000 0.000 0.273 398 K C -0.247 176.376 176.600 0.038 0.000 0.951 398 K CA -0.037 56.268 56.287 0.030 0.000 0.854 398 K CB 1.446 33.964 32.500 0.030 0.000 1.424 398 K HN 2.173 nan 8.250 nan 0.000 0.427 399 G N 1.441 110.260 108.800 0.032 0.000 2.523 399 G HA2 0.398 4.357 3.960 -0.000 0.000 0.291 399 G HA3 0.398 4.357 3.960 -0.000 0.000 0.291 399 G C -2.109 172.817 174.900 0.042 0.000 1.450 399 G CA -0.940 44.184 45.100 0.040 0.000 0.790 399 G HN 0.473 nan 8.290 nan 0.000 0.496 400 R N -0.210 120.319 120.500 0.048 0.000 2.254 400 R HA 0.642 4.982 4.340 -0.000 0.000 0.318 400 R C -0.660 175.681 176.300 0.068 0.000 1.031 400 R CA -0.183 55.951 56.100 0.057 0.000 0.905 400 R CB 1.087 31.412 30.300 0.041 0.000 1.050 400 R HN 0.370 nan 8.270 nan 0.000 0.456 401 V N 5.713 125.705 119.914 0.128 0.000 2.604 401 V HA 0.595 4.715 4.120 -0.000 0.000 0.305 401 V C -0.193 176.044 176.094 0.239 0.000 1.043 401 V CA -0.840 61.537 62.300 0.128 0.000 0.888 401 V CB 1.995 33.845 31.823 0.045 0.000 0.995 401 V HN 0.729 nan 8.190 nan 0.000 0.429 402 R N 2.838 123.419 120.500 0.135 0.000 2.575 402 R HA 0.792 5.132 4.340 -0.000 0.000 0.293 402 R C -1.748 174.609 176.300 0.096 0.000 0.983 402 R CA -0.688 55.492 56.100 0.133 0.000 0.887 402 R CB 2.549 32.879 30.300 0.050 0.000 1.184 402 R HN 0.493 nan 8.270 nan 0.000 0.445 403 V N 3.565 123.570 119.914 0.152 0.000 2.483 403 V HA 0.386 4.505 4.120 -0.000 0.000 0.297 403 V C -0.404 175.749 176.094 0.098 0.000 1.027 403 V CA -0.830 61.543 62.300 0.122 0.000 0.855 403 V CB 2.029 33.956 31.823 0.174 0.000 0.995 403 V HN 0.451 nan 8.190 nan 0.000 0.424 404 V N 5.117 125.042 119.914 0.020 0.000 2.459 404 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 404 V C 0.057 175.970 176.094 -0.302 0.000 1.029 404 V CA -0.796 61.450 62.300 -0.090 0.000 0.874 404 V CB 1.902 33.672 31.823 -0.088 0.000 0.985 404 V HN 1.048 nan 8.190 nan 0.000 0.438 408 G N 1.584 110.298 108.800 -0.144 0.000 2.147 408 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 408 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 408 G C -0.422 174.425 174.900 -0.089 0.000 1.005 408 G CA 0.366 45.402 45.100 -0.108 0.000 0.713 408 G HN 0.319 nan 8.290 nan 0.000 0.515 409 N N 0.416 119.052 118.700 -0.106 0.000 2.421 409 N HA 0.587 5.327 4.740 -0.000 0.000 0.285 409 N C 0.354 175.826 175.510 -0.063 0.000 1.027 409 N CA -0.040 52.967 53.050 -0.073 0.000 0.918 409 N CB 1.318 39.767 38.487 -0.063 0.000 1.152 409 N HN 0.448 nan 8.380 nan 0.000 0.485 410 A N 2.038 124.836 122.820 -0.037 0.000 2.666 410 A HA 0.110 4.430 4.320 -0.000 0.000 0.301 410 A C 1.382 178.975 177.584 0.016 0.000 1.470 410 A CA -0.535 51.495 52.037 -0.011 0.000 1.159 410 A CB -0.789 18.197 19.000 -0.023 0.000 1.116 410 A HN 0.713 nan 8.150 nan 0.000 0.548 411 V N 0.148 120.102 119.914 0.066 0.000 3.078 411 V HA 0.155 4.275 4.120 -0.000 0.000 0.265 411 V C 0.416 176.620 176.094 0.183 0.000 1.122 411 V CA 0.990 63.362 62.300 0.121 0.000 1.141 411 V CB -1.428 30.512 31.823 0.196 0.000 0.735 411 V HN 0.664 nan 8.190 nan 0.000 0.498 412 F N 0.761 120.723 119.950 0.020 0.000 2.604 412 F HA 0.644 5.171 4.527 -0.000 0.000 0.316 412 F C -1.503 174.291 175.800 -0.010 0.000 1.136 412 F CA -1.019 56.983 58.000 0.004 0.000 0.989 412 F CB 2.045 41.043 39.000 -0.003 0.000 1.258 412 F HN 0.045 nan 8.300 nan 0.000 0.451 413 D N 4.169 124.158 120.400 -0.685 0.000 2.351 413 D HA 0.573 5.212 4.640 -0.000 0.000 0.235 413 D C -0.614 175.367 176.300 -0.532 0.000 1.331 413 D CA 0.263 54.036 54.000 -0.378 0.000 0.959 413 D CB 0.815 41.502 40.800 -0.188 0.000 1.432 413 D HN 0.956 nan 8.370 nan 0.000 0.544 414 G N 1.250 109.761 108.800 -0.481 0.000 2.428 414 G HA2 0.365 4.325 3.960 -0.000 0.000 0.304 414 G HA3 0.365 4.325 3.960 -0.000 0.000 0.304 414 G C -1.242 173.682 174.900 0.040 0.000 1.303 414 G CA -0.793 44.141 45.100 -0.277 0.000 0.825 414 G HN 0.097 nan 8.290 nan 0.000 0.484 415 E N -0.606 119.628 120.200 0.057 0.000 2.343 415 E HA 0.533 4.883 4.350 -0.000 0.000 0.269 415 E C -0.982 175.719 176.600 0.169 0.000 1.047 415 E CA -0.399 56.060 56.400 0.100 0.000 0.874 415 E CB 2.237 31.968 29.700 0.051 0.000 1.033 415 E HN 0.314 nan 8.360 nan 0.000 0.409 416 L N 2.748 124.029 121.223 0.097 0.000 2.439 416 L HA 0.343 4.683 4.340 -0.000 0.000 0.270 416 L C -0.541 176.322 176.870 -0.011 0.000 0.972 416 L CA -0.342 54.518 54.840 0.033 0.000 0.836 416 L CB 1.233 43.251 42.059 -0.069 0.000 1.255 416 L HN 0.549 nan 8.230 nan 0.000 0.404 417 R N 2.894 123.386 120.500 -0.013 0.000 2.939 417 R HA 0.665 5.005 4.340 -0.000 0.000 0.254 417 R C -0.443 175.823 176.300 -0.057 0.000 1.123 417 R CA -1.110 54.978 56.100 -0.019 0.000 1.020 417 R CB 0.873 31.178 30.300 0.010 0.000 1.206 417 R HN 0.571 nan 8.270 nan 0.000 0.491 418 R N 0.048 120.521 120.500 -0.045 0.000 2.500 418 R HA -0.017 4.322 4.340 -0.000 0.000 0.281 418 R C 0.451 176.710 176.300 -0.069 0.000 0.953 418 R CA 2.181 58.239 56.100 -0.071 0.000 1.108 418 R CB -0.312 29.991 30.300 0.005 0.000 0.901 418 R HN 0.991 nan 8.270 nan 0.000 0.410 419 G N 2.292 110.976 108.800 -0.193 0.000 2.199 419 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.254 419 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.254 419 G C -0.104 174.865 174.900 0.114 0.000 0.982 419 G CA 0.357 45.480 45.100 0.037 0.000 0.632 419 G HN 0.631 nan 8.290 nan 0.000 0.529 420 Q N -0.616 119.138 119.800 -0.076 0.000 2.214 420 Q HA 0.744 5.084 4.340 -0.000 0.000 0.251 420 Q C -0.697 175.294 176.000 -0.015 0.000 0.936 420 Q CA -0.726 55.108 55.803 0.053 0.000 0.894 420 Q CB 2.216 30.955 28.738 0.001 0.000 1.252 420 Q HN 0.273 nan 8.270 nan 0.000 0.448 421 L N 2.473 123.749 121.223 0.089 0.000 2.365 421 L HA 0.574 4.914 4.340 -0.000 0.000 0.273 421 L C -1.827 174.954 176.870 -0.149 0.000 1.000 421 L CA -0.690 54.118 54.840 -0.054 0.000 0.819 421 L CB 1.784 43.698 42.059 -0.242 0.000 1.284 421 L HN 0.524 nan 8.230 nan 0.000 0.418 422 L N 5.290 126.383 121.223 -0.216 0.000 2.476 422 L HA 0.605 4.944 4.340 -0.000 0.000 0.269 422 L C -1.309 175.415 176.870 -0.244 0.000 0.965 422 L CA -0.329 54.325 54.840 -0.310 0.000 0.845 422 L CB 2.101 43.849 42.059 -0.518 0.000 1.259 422 L HN 0.342 nan 8.230 nan 0.000 0.403 423 V N 5.529 125.318 119.914 -0.209 0.000 2.498 423 V HA 0.435 4.555 4.120 -0.000 0.000 0.279 423 V C -0.262 175.723 176.094 -0.182 0.000 1.048 423 V CA -0.418 61.784 62.300 -0.164 0.000 0.967 423 V CB 1.567 33.307 31.823 -0.138 0.000 0.988 423 V HN 0.521 nan 8.190 nan 0.000 0.473 424 V N 7.520 127.337 119.914 -0.161 0.000 2.325 424 V HA 0.319 4.439 4.120 -0.000 0.000 0.280 424 V C -2.385 173.581 176.094 -0.212 0.000 1.016 424 V CA -1.859 60.344 62.300 -0.162 0.000 0.818 424 V CB 1.486 33.242 31.823 -0.113 0.000 1.019 424 V HN 0.747 nan 8.190 nan 0.000 0.434 425 P HA 0.052 nan 4.420 nan 0.000 0.269 425 P C -0.141 176.964 177.300 -0.325 0.000 1.209 425 P CA -0.119 62.641 63.100 -0.567 0.000 0.776 425 P CB 0.444 31.383 31.700 -1.269 0.000 0.876 426 Q N 3.077 122.789 119.800 -0.146 0.000 2.304 426 Q HA -0.180 4.160 4.340 -0.000 0.000 0.315 426 Q C 0.340 176.434 176.000 0.157 0.000 1.075 426 Q CA 1.014 56.834 55.803 0.028 0.000 0.988 426 Q CB -0.627 28.133 28.738 0.037 0.000 1.146 426 Q HN 0.489 nan 8.270 nan 0.000 0.383 427 N N 1.405 120.261 118.700 0.259 0.000 2.961 427 N HA -0.240 4.500 4.740 -0.000 0.000 0.223 427 N C -0.829 174.816 175.510 0.224 0.000 0.866 427 N CA 0.681 53.878 53.050 0.244 0.000 1.030 427 N CB -1.138 37.416 38.487 0.110 0.000 1.037 427 N HN 0.499 nan 8.380 nan 0.000 0.608 428 F N 1.709 121.653 119.950 -0.010 0.000 2.529 428 F HA 0.195 4.721 4.527 -0.000 0.000 0.365 428 F C 1.108 176.895 175.800 -0.021 0.000 1.102 428 F CA -0.830 57.143 58.000 -0.044 0.000 1.271 428 F CB 0.665 39.644 39.000 -0.035 0.000 1.120 428 F HN -0.278 nan 8.300 nan 0.000 0.579 429 V N 5.081 125.035 119.914 0.066 0.000 2.498 429 V HA 0.304 4.424 4.120 -0.000 0.000 0.279 429 V C -0.110 175.957 176.094 -0.044 0.000 1.048 429 V CA -0.419 61.900 62.300 0.032 0.000 0.967 429 V CB 1.328 33.144 31.823 -0.012 0.000 0.988 429 V HN 0.532 nan 8.190 nan 0.000 0.473 430 V N 4.129 123.914 119.914 -0.214 0.000 3.040 430 V HA 1.021 5.140 4.120 -0.000 0.000 0.312 430 V C -0.397 175.444 176.094 -0.421 0.000 1.115 430 V CA -0.039 62.082 62.300 -0.298 0.000 0.998 430 V CB 2.221 33.834 31.823 -0.350 0.000 1.042 430 V HN 1.219 nan 8.190 nan 0.000 0.433 431 A N 4.021 126.725 122.820 -0.194 0.000 2.594 431 A HA 0.947 5.267 4.320 -0.000 0.000 0.295 431 A C -1.362 176.223 177.584 0.003 0.000 1.071 431 A CA -0.637 51.366 52.037 -0.057 0.000 0.685 431 A CB 2.074 21.082 19.000 0.013 0.000 1.285 431 A HN 0.851 nan 8.150 nan 0.000 0.405 432 E N 0.042 120.295 120.200 0.087 0.000 2.367 432 E HA 0.629 4.978 4.350 -0.000 0.000 0.273 432 E C -1.021 175.650 176.600 0.118 0.000 0.903 432 E CA -0.502 55.953 56.400 0.092 0.000 0.764 432 E CB 2.258 32.035 29.700 0.129 0.000 1.252 432 E HN 0.602 nan 8.360 nan 0.000 0.446 433 Q N 0.907 120.759 119.800 0.087 0.000 2.263 433 Q HA 0.557 4.897 4.340 -0.000 0.000 0.266 433 Q C -0.724 175.319 176.000 0.070 0.000 1.002 433 Q CA -0.785 55.064 55.803 0.077 0.000 0.790 433 Q CB 1.554 30.328 28.738 0.061 0.000 1.272 433 Q HN 0.740 nan 8.270 nan 0.000 0.435 434 G N 1.850 110.693 108.800 0.071 0.000 2.432 434 G HA2 0.391 4.350 3.960 -0.000 0.000 0.239 434 G HA3 0.391 4.350 3.960 -0.000 0.000 0.239 434 G C 0.309 175.247 174.900 0.063 0.000 1.291 434 G CA 0.223 45.365 45.100 0.070 0.000 0.863 434 G HN 0.694 nan 8.290 nan 0.000 0.560 435 G N 0.109 108.944 108.800 0.059 0.000 2.494 435 G HA2 0.287 4.247 3.960 -0.000 0.000 0.270 435 G HA3 0.287 4.247 3.960 -0.000 0.000 0.270 435 G C 0.921 175.853 174.900 0.053 0.000 1.423 435 G CA -0.201 44.929 45.100 0.050 0.000 1.055 435 G HN 0.480 nan 8.290 nan 0.000 0.536 436 E N -0.362 119.865 120.200 0.044 0.000 2.118 436 E HA -0.095 4.254 4.350 -0.000 0.000 0.195 436 E C 1.919 178.548 176.600 0.049 0.000 0.992 436 E CA 0.998 57.424 56.400 0.043 0.000 0.804 436 E CB 0.124 29.844 29.700 0.033 0.000 0.741 436 E HN 0.335 nan 8.360 nan 0.000 0.458 437 Q N -0.407 119.425 119.800 0.053 0.000 2.189 437 Q HA 0.281 4.621 4.340 -0.000 0.000 0.221 437 Q C 0.534 176.583 176.000 0.080 0.000 0.848 437 Q CA 0.286 56.125 55.803 0.060 0.000 1.007 437 Q CB 0.887 29.656 28.738 0.051 0.000 1.116 437 Q HN 0.235 nan 8.270 nan 0.000 0.481 438 G N 1.444 110.298 108.800 0.090 0.000 2.782 438 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.228 438 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.228 438 G C -1.208 173.742 174.900 0.084 0.000 1.372 438 G CA -0.319 44.846 45.100 0.108 0.000 0.862 438 G HN 0.302 nan 8.290 nan 0.000 0.547 439 L N -0.593 120.678 121.223 0.079 0.000 2.526 439 L HA 0.784 5.124 4.340 -0.000 0.000 0.263 439 L C -0.708 176.193 176.870 0.052 0.000 0.943 439 L CA -0.499 54.389 54.840 0.080 0.000 0.859 439 L CB 1.942 44.065 42.059 0.105 0.000 1.313 439 L HN 0.818 nan 8.230 nan 0.000 0.406 440 E N 4.413 124.635 120.200 0.036 0.000 2.248 440 E HA 0.630 4.980 4.350 -0.000 0.000 0.267 440 E C -1.950 174.592 176.600 -0.097 0.000 0.877 440 E CA -0.651 55.674 56.400 -0.124 0.000 0.759 440 E CB 2.567 32.247 29.700 -0.033 0.000 1.182 440 E HN 0.554 nan 8.360 nan 0.000 0.418 441 Y N -1.482 118.529 120.300 -0.482 0.000 2.624 441 Y HA 0.600 5.150 4.550 -0.000 0.000 0.334 441 Y C -1.635 173.975 175.900 -0.483 0.000 1.155 441 Y CA -1.285 56.596 58.100 -0.364 0.000 1.046 441 Y CB 0.810 39.140 38.460 -0.216 0.000 1.316 441 Y HN 0.323 nan 8.280 nan 0.000 0.457 442 V N 2.729 122.627 119.914 -0.027 0.000 2.630 442 V HA 0.823 4.943 4.120 -0.000 0.000 0.305 442 V C -1.260 174.798 176.094 -0.060 0.000 1.046 442 V CA -0.750 61.493 62.300 -0.095 0.000 0.934 442 V CB 1.641 33.401 31.823 -0.105 0.000 1.003 442 V HN 0.782 nan 8.190 nan 0.000 0.451 443 V N 6.929 126.759 119.914 -0.140 0.000 2.409 443 V HA 0.478 4.598 4.120 -0.000 0.000 0.290 443 V C -0.561 175.442 176.094 -0.151 0.000 1.017 443 V CA -0.533 61.743 62.300 -0.040 0.000 0.841 443 V CB 1.103 32.998 31.823 0.119 0.000 1.003 443 V HN 0.729 nan 8.190 nan 0.000 0.426 444 F N 3.121 123.116 119.950 0.075 0.000 2.384 444 F HA 0.592 5.119 4.527 -0.000 0.000 0.338 444 F C 0.705 176.531 175.800 0.044 0.000 1.103 444 F CA -0.287 57.745 58.000 0.053 0.000 1.157 444 F CB 1.095 40.106 39.000 0.018 0.000 1.167 444 F HN 0.287 nan 8.300 nan 0.000 0.529 445 K N 0.548 121.086 120.400 0.231 0.000 2.443 445 K HA 0.275 4.595 4.320 -0.000 0.000 0.252 445 K C -0.374 176.322 176.600 0.159 0.000 0.933 445 K CA -0.781 55.599 56.287 0.156 0.000 0.792 445 K CB 1.926 34.498 32.500 0.121 0.000 1.185 445 K HN 0.644 nan 8.250 nan 0.000 0.425 446 T N -0.353 114.279 114.554 0.130 0.000 3.820 446 T HA 0.065 4.415 4.350 -0.000 0.000 0.224 446 T C -0.055 174.747 174.700 0.170 0.000 0.869 446 T CA -0.142 62.033 62.100 0.125 0.000 0.932 446 T CB -0.606 68.309 68.868 0.080 0.000 1.259 446 T HN 0.510 nan 8.240 nan 0.000 0.676 447 H N 0.642 119.751 119.070 0.065 0.000 3.123 447 H HA 0.137 4.692 4.556 -0.000 0.000 0.346 447 H C 0.449 175.793 175.328 0.027 0.000 1.138 447 H CA -0.491 55.576 56.048 0.032 0.000 1.273 447 H CB 1.390 31.134 29.762 -0.031 0.000 1.926 447 H HN 0.541 nan 8.280 nan 0.000 0.524 448 H N 2.864 121.870 119.070 -0.107 0.000 2.489 448 H HA -0.003 4.553 4.556 -0.000 0.000 0.293 448 H C 0.026 175.455 175.328 0.168 0.000 1.066 448 H CA 1.492 57.554 56.048 0.023 0.000 1.305 448 H CB 0.372 30.080 29.762 -0.090 0.000 1.386 448 H HN 0.239 nan 8.280 nan 0.000 0.551 449 N N 0.494 119.124 118.700 -0.116 0.000 2.687 449 N HA 0.283 5.023 4.740 -0.000 0.000 0.275 449 N C -1.170 174.288 175.510 -0.088 0.000 1.789 449 N CA 0.205 53.204 53.050 -0.086 0.000 0.806 449 N CB 0.316 38.661 38.487 -0.236 0.000 1.256 449 N HN 0.570 nan 8.380 nan 0.000 0.500 450 A N 0.418 123.228 122.820 -0.016 0.000 2.546 450 A HA 0.371 4.691 4.320 -0.000 0.000 0.243 450 A C -0.013 177.507 177.584 -0.106 0.000 1.063 450 A CA 0.174 52.144 52.037 -0.112 0.000 0.757 450 A CB 0.281 19.288 19.000 0.011 0.000 0.991 450 A HN 0.216 nan 8.150 nan 0.000 0.503 451 V N 3.016 122.839 119.914 -0.151 0.000 2.555 451 V HA 0.621 4.741 4.120 -0.000 0.000 0.302 451 V C 0.429 176.452 176.094 -0.118 0.000 1.038 451 V CA 0.122 62.356 62.300 -0.110 0.000 0.887 451 V CB 1.812 33.559 31.823 -0.127 0.000 0.991 451 V HN 1.217 nan 8.190 nan 0.000 0.434 452 S N 2.766 118.401 115.700 -0.109 0.000 2.715 452 S HA 0.879 5.349 4.470 -0.000 0.000 0.307 452 S C -0.520 173.902 174.600 -0.297 0.000 1.119 452 S CA -0.702 57.383 58.200 -0.192 0.000 0.937 452 S CB 2.067 65.238 63.200 -0.048 0.000 1.150 452 S HN 0.832 nan 8.310 nan 0.000 0.521 453 S N 0.439 115.809 115.700 -0.551 0.000 2.572 453 S HA 0.600 5.070 4.470 -0.000 0.000 0.274 453 S C -1.568 172.759 174.600 -0.456 0.000 1.150 453 S CA -0.905 56.928 58.200 -0.612 0.000 0.944 453 S CB 0.550 63.097 63.200 -1.089 0.000 1.071 453 S HN 0.872 nan 8.310 nan 0.000 0.479 454 Y N 2.932 123.051 120.300 -0.302 0.000 2.387 454 Y HA 0.631 5.181 4.550 -0.000 0.000 0.336 454 Y C 1.171 176.990 175.900 -0.135 0.000 1.067 454 Y CA -1.188 56.834 58.100 -0.131 0.000 1.114 454 Y CB 0.459 38.878 38.460 -0.068 0.000 1.208 454 Y HN 0.521 nan 8.280 nan 0.000 0.458 455 I N 1.924 122.480 120.570 -0.023 0.000 2.248 455 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 455 I C 2.001 177.736 176.117 -0.637 0.000 1.107 455 I CA 1.531 62.653 61.300 -0.297 0.000 1.373 455 I CB -0.306 37.549 38.000 -0.242 0.000 1.055 455 I HN 0.788 nan 8.210 nan 0.000 0.418 456 K N 0.428 120.665 120.400 -0.272 0.000 2.044 456 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 456 K C 1.787 178.231 176.600 -0.261 0.000 1.049 456 K CA 2.199 58.421 56.287 -0.108 0.000 0.927 456 K CB -0.331 32.295 32.500 0.210 0.000 0.713 456 K HN 0.262 nan 8.250 nan 0.000 0.443 457 D N 0.374 120.370 120.400 -0.672 0.000 2.178 457 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 457 D C 1.663 177.745 176.300 -0.363 0.000 0.980 457 D CA 0.714 54.327 54.000 -0.646 0.000 0.842 457 D CB 0.192 40.251 40.800 -1.236 0.000 0.948 457 D HN -0.085 nan 8.370 nan 0.000 0.472 458 V N -0.058 119.622 119.914 -0.390 0.000 2.343 458 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 458 V C 2.154 178.211 176.094 -0.062 0.000 1.051 458 V CA 1.494 63.671 62.300 -0.206 0.000 1.036 458 V CB -0.750 30.969 31.823 -0.175 0.000 0.654 458 V HN 0.296 nan 8.190 nan 0.000 0.451 459 F N 0.106 120.035 119.950 -0.035 0.000 2.126 459 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 459 F C 2.721 178.480 175.800 -0.069 0.000 1.096 459 F CA 1.248 59.230 58.000 -0.031 0.000 1.255 459 F CB -0.327 38.638 39.000 -0.059 0.000 0.997 459 F HN 0.017 nan 8.300 nan 0.000 0.479 460 R N 0.272 120.822 120.500 0.083 0.000 2.120 460 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 460 R C 2.266 178.577 176.300 0.018 0.000 1.123 460 R CA 1.100 57.200 56.100 -0.000 0.000 0.975 460 R CB -0.572 29.716 30.300 -0.018 0.000 0.866 460 R HN 0.260 nan 8.270 nan 0.000 0.446 461 A N 0.875 123.706 122.820 0.018 0.000 2.123 461 A HA 0.095 4.415 4.320 -0.000 0.000 0.214 461 A C 1.080 178.692 177.584 0.047 0.000 1.152 461 A CA 0.315 52.366 52.037 0.024 0.000 0.728 461 A CB 0.083 19.084 19.000 0.003 0.000 0.814 461 A HN 0.074 nan 8.150 nan 0.000 0.464 462 I N 0.823 121.437 120.570 0.073 0.000 2.385 462 I HA 0.255 4.425 4.170 -0.000 0.000 0.294 462 I C -2.455 173.703 176.117 0.069 0.000 0.988 462 I CA -2.457 58.892 61.300 0.081 0.000 1.265 462 I CB 1.508 39.582 38.000 0.124 0.000 1.388 462 I HN -0.040 nan 8.210 nan 0.000 0.480 463 P HA 0.054 nan 4.420 nan 0.000 0.266 463 P C 0.428 177.756 177.300 0.047 0.000 1.195 463 P CA 0.195 63.325 63.100 0.049 0.000 0.768 463 P CB 0.640 32.364 31.700 0.039 0.000 0.838 464 S N 1.854 117.581 115.700 0.045 0.000 2.368 464 S HA -0.252 4.218 4.470 -0.000 0.000 0.226 464 S C 1.490 176.109 174.600 0.031 0.000 1.044 464 S CA 1.609 59.830 58.200 0.035 0.000 1.062 464 S CB -0.673 62.555 63.200 0.047 0.000 0.931 464 S HN 0.613 nan 8.310 nan 0.000 0.440 465 E N 0.161 120.378 120.200 0.029 0.000 2.204 465 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 465 E C 2.029 178.637 176.600 0.014 0.000 0.989 465 E CA 0.789 57.201 56.400 0.020 0.000 0.824 465 E CB -0.126 29.583 29.700 0.016 0.000 0.756 465 E HN 0.286 nan 8.360 nan 0.000 0.477 466 V N 0.972 120.898 119.914 0.018 0.000 2.358 466 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 466 V C 2.119 178.216 176.094 0.005 0.000 1.047 466 V CA 1.093 63.398 62.300 0.007 0.000 1.035 466 V CB -0.236 31.598 31.823 0.018 0.000 0.658 466 V HN 0.208 nan 8.190 nan 0.000 0.452 467 L N -0.160 121.092 121.223 0.047 0.000 2.027 467 L HA -0.088 4.251 4.340 -0.000 0.000 0.206 467 L C 2.651 179.579 176.870 0.097 0.000 1.074 467 L CA 1.861 56.766 54.840 0.109 0.000 0.745 467 L CB -1.069 41.054 42.059 0.106 0.000 0.898 467 L HN 0.260 nan 8.230 nan 0.000 0.433 468 S N -0.091 115.638 115.700 0.049 0.000 2.353 468 S HA -0.218 4.251 4.470 -0.000 0.000 0.222 468 S C 1.706 176.318 174.600 0.020 0.000 1.035 468 S CA 1.872 60.094 58.200 0.036 0.000 1.025 468 S CB -0.508 62.703 63.200 0.019 0.000 0.902 468 S HN 0.523 nan 8.310 nan 0.000 0.440 469 N N 0.729 119.425 118.700 -0.006 0.000 2.331 469 N HA 0.052 4.792 4.740 -0.000 0.000 0.180 469 N C 1.743 177.209 175.510 -0.073 0.000 1.019 469 N CA 0.908 53.941 53.050 -0.029 0.000 0.881 469 N CB -0.089 38.380 38.487 -0.029 0.000 0.972 469 N HN 0.175 nan 8.380 nan 0.000 0.435 470 S N -0.570 115.051 115.700 -0.131 0.000 2.371 470 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 470 S C 0.862 175.225 174.600 -0.395 0.000 1.029 470 S CA 0.878 58.883 58.200 -0.324 0.000 0.978 470 S CB -0.151 62.736 63.200 -0.521 0.000 0.833 470 S HN 0.438 nan 8.310 nan 0.000 0.466 471 Y N 1.162 121.446 120.300 -0.027 0.000 2.507 471 Y HA 0.348 4.898 4.550 -0.000 0.000 0.254 471 Y C 0.305 176.183 175.900 -0.036 0.000 1.171 471 Y CA -0.664 57.415 58.100 -0.035 0.000 1.238 471 Y CB -0.029 38.394 38.460 -0.062 0.000 1.148 471 Y HN 0.060 nan 8.280 nan 0.000 0.525 472 N N 1.303 120.048 118.700 0.075 0.000 2.727 472 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 472 N C -1.042 174.494 175.510 0.043 0.000 1.040 472 N CA 0.744 53.819 53.050 0.042 0.000 0.712 472 N CB -1.462 37.043 38.487 0.030 0.000 0.912 472 N HN 0.389 nan 8.380 nan 0.000 0.545 473 L N -0.590 120.660 121.223 0.045 0.000 2.322 473 L HA 0.722 5.062 4.340 -0.000 0.000 0.269 473 L C 1.426 178.300 176.870 0.006 0.000 1.012 473 L CA -0.931 53.918 54.840 0.016 0.000 0.815 473 L CB 1.560 43.617 42.059 -0.003 0.000 1.295 473 L HN 0.171 nan 8.230 nan 0.000 0.438 474 G N -0.525 108.273 108.800 -0.004 0.000 2.476 474 G HA2 0.164 4.124 3.960 -0.000 0.000 0.286 474 G HA3 0.164 4.124 3.960 -0.000 0.000 0.286 474 G C 0.323 175.222 174.900 -0.001 0.000 1.177 474 G CA -0.285 44.814 45.100 -0.000 0.000 0.870 474 G HN 0.786 nan 8.290 nan 0.000 0.528 475 Q N 0.453 120.257 119.800 0.008 0.000 2.133 475 Q HA -0.252 4.087 4.340 -0.000 0.000 0.208 475 Q C 2.518 178.528 176.000 0.017 0.000 0.991 475 Q CA 2.678 58.490 55.803 0.016 0.000 0.867 475 Q CB -0.232 28.519 28.738 0.022 0.000 0.911 475 Q HN 0.671 nan 8.270 nan 0.000 0.417 476 S N 0.080 115.788 115.700 0.013 0.000 2.353 476 S HA -0.259 4.211 4.470 -0.000 0.000 0.222 476 S C 1.897 176.497 174.600 0.000 0.000 1.035 476 S CA 1.493 59.701 58.200 0.014 0.000 1.025 476 S CB -0.586 62.619 63.200 0.009 0.000 0.902 476 S HN 0.531 nan 8.310 nan 0.000 0.440 477 Q N 0.638 120.426 119.800 -0.019 0.000 2.084 477 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 477 Q C 2.450 178.401 176.000 -0.081 0.000 0.978 477 Q CA 1.586 57.360 55.803 -0.048 0.000 0.844 477 Q CB -0.564 28.141 28.738 -0.056 0.000 0.898 477 Q HN 0.493 nan 8.270 nan 0.000 0.426 478 V N 0.718 120.589 119.914 -0.071 0.000 2.343 478 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 478 V C 2.262 178.295 176.094 -0.101 0.000 1.051 478 V CA 2.002 64.240 62.300 -0.104 0.000 1.036 478 V CB -0.472 31.320 31.823 -0.052 0.000 0.654 478 V HN 0.240 nan 8.190 nan 0.000 0.451 479 R N 0.162 120.654 120.500 -0.013 0.000 2.105 479 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 479 R C 2.287 178.606 176.300 0.032 0.000 1.135 479 R CA 1.903 58.049 56.100 0.077 0.000 0.967 479 R CB -0.502 29.890 30.300 0.152 0.000 0.861 479 R HN 0.602 nan 8.270 nan 0.000 0.442 480 Q N 0.362 120.155 119.800 -0.011 0.000 2.002 480 Q HA -0.124 4.215 4.340 -0.000 0.000 0.204 480 Q C 1.920 177.882 176.000 -0.064 0.000 0.988 480 Q CA 2.072 57.863 55.803 -0.019 0.000 0.843 480 Q CB -0.480 28.235 28.738 -0.037 0.000 0.908 480 Q HN 0.477 nan 8.270 nan 0.000 0.420 481 L N 0.083 121.220 121.223 -0.142 0.000 2.013 481 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 481 L C 2.552 179.344 176.870 -0.129 0.000 1.073 481 L CA 1.872 56.608 54.840 -0.174 0.000 0.753 481 L CB -0.483 41.325 42.059 -0.418 0.000 0.890 481 L HN 0.267 nan 8.230 nan 0.000 0.432 482 K N -0.801 119.433 120.400 -0.276 0.000 2.007 482 K HA -0.136 4.183 4.320 -0.000 0.000 0.206 482 K C 1.700 178.008 176.600 -0.486 0.000 1.047 482 K CA 1.492 57.484 56.287 -0.491 0.000 0.937 482 K CB -0.088 31.812 32.500 -1.001 0.000 0.718 482 K HN 0.258 nan 8.250 nan 0.000 0.438 483 Y N 0.384 120.707 120.300 0.038 0.000 2.467 483 Y HA 0.241 4.790 4.550 -0.000 0.000 0.250 483 Y C 0.527 176.447 175.900 0.033 0.000 1.155 483 Y CA -0.280 57.842 58.100 0.036 0.000 1.249 483 Y CB 0.391 38.867 38.460 0.025 0.000 1.146 483 Y HN -0.071 nan 8.280 nan 0.000 0.524 484 Q N 0.595 120.466 119.800 0.119 0.000 2.256 484 Q HA 0.519 4.858 4.340 -0.000 0.000 0.257 484 Q C 0.255 176.295 176.000 0.067 0.000 0.936 484 Q CA 0.051 55.906 55.803 0.087 0.000 0.903 484 Q CB 2.011 30.786 28.738 0.062 0.000 1.263 484 Q HN 0.499 nan 8.270 nan 0.000 0.440 485 G N 2.486 111.323 108.800 0.062 0.000 2.631 485 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.504 485 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.504 485 G C -0.668 174.267 174.900 0.059 0.000 1.306 485 G CA -0.640 44.491 45.100 0.053 0.000 0.897 485 G HN 0.804 nan 8.290 nan 0.000 0.520 486 N N -0.471 118.257 118.700 0.047 0.000 2.482 486 N HA 0.305 5.045 4.740 -0.000 0.000 0.260 486 N C 1.421 176.977 175.510 0.077 0.000 1.236 486 N CA 0.370 53.447 53.050 0.046 0.000 0.938 486 N CB 1.509 40.005 38.487 0.015 0.000 1.128 486 N HN 1.204 nan 8.380 nan 0.000 0.448 487 S N -0.186 115.570 115.700 0.094 0.000 2.478 487 S HA 0.119 4.589 4.470 -0.000 0.000 0.222 487 S C 1.228 175.955 174.600 0.211 0.000 1.008 487 S CA -0.117 58.172 58.200 0.148 0.000 0.928 487 S CB -0.478 62.808 63.200 0.144 0.000 0.781 487 S HN 0.789 nan 8.310 nan 0.000 0.518 488 G N 2.585 111.446 108.800 0.102 0.000 2.634 488 G HA2 0.397 4.357 3.960 -0.000 0.000 0.255 488 G HA3 0.397 4.357 3.960 -0.000 0.000 0.255 488 G C -1.288 173.432 174.900 -0.300 0.000 1.205 488 G CA -1.110 43.964 45.100 -0.044 0.000 0.884 488 G HN 0.208 nan 8.290 nan 0.000 0.549 489 P HA 0.002 nan 4.420 nan 0.000 0.225 489 P C 0.462 177.502 177.300 -0.434 0.000 1.156 489 P CA 0.582 63.162 63.100 -0.866 0.000 0.787 489 P CB 0.283 31.167 31.700 -1.361 0.000 0.802 490 L N 0.887 121.851 121.223 -0.432 0.000 2.283 490 L HA 0.261 4.600 4.340 -0.000 0.000 0.287 490 L C 0.012 176.791 176.870 -0.152 0.000 1.073 490 L CA -0.629 54.030 54.840 -0.301 0.000 0.822 490 L CB 1.346 43.208 42.059 -0.328 0.000 1.186 490 L HN -0.286 nan 8.230 nan 0.000 0.436 491 V N 3.351 123.217 119.914 -0.080 0.000 2.459 491 V HA 0.309 4.428 4.120 -0.000 0.000 0.295 491 V C -0.168 175.919 176.094 -0.011 0.000 1.029 491 V CA -0.873 61.410 62.300 -0.028 0.000 0.874 491 V CB 1.953 33.783 31.823 0.011 0.000 0.985 491 V HN 0.795 nan 8.190 nan 0.000 0.438 492 N N 5.387 124.085 118.700 -0.004 0.000 2.589 492 N HA 0.344 5.084 4.740 -0.000 0.000 0.232 492 N C -2.089 173.432 175.510 0.018 0.000 1.015 492 N CA -1.084 51.974 53.050 0.013 0.000 0.931 492 N CB 1.236 39.730 38.487 0.012 0.000 1.150 492 N HN 0.476 nan 8.380 nan 0.000 0.512 493 P HA 0.000 nan 4.420 nan 0.000 0.216 493 P CA 0.000 63.115 63.100 0.025 0.000 0.800 493 P CB 0.000 31.717 31.700 0.028 0.000 0.726