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_B DATA FIRST_RESID 7 DATA SEQUENCE NEcQLNNLNA LEPDHRVESE GGLIETWNSQ HPELQcAGVT VSKRTLNRNG DATA SEQUENCE LHLPSYSPYP QMIIVVQGKG AIGFAFPGcP ETFEKPQXXX 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 0.000 175.527 175.510 0.029 0.000 1.280 7 N CA 0.000 53.067 53.050 0.028 0.000 0.885 7 N CB 0.000 38.503 38.487 0.027 0.000 1.341 8 E N -0.003 120.211 120.200 0.023 0.000 2.267 8 E HA -0.010 4.340 4.350 -0.000 0.000 0.197 8 E C 0.841 177.451 176.600 0.016 0.000 0.998 8 E CA 1.152 57.562 56.400 0.017 0.000 0.830 8 E CB 0.040 29.746 29.700 0.010 0.000 0.751 8 E HN 0.367 nan 8.360 nan 0.000 0.491 9 c N 0.429 119.044 118.600 0.024 0.000 3.000 9 c HA 0.186 4.756 4.570 -0.000 0.000 0.286 9 c C 0.227 174.372 174.090 0.092 0.000 1.343 9 c CA -0.476 55.866 56.329 0.021 0.000 1.742 9 c CB -0.617 41.889 42.510 -0.006 0.000 2.200 9 c HN 0.295 nan 8.230 nan 0.000 0.621 10 Q N 1.485 121.336 119.800 0.085 0.000 2.844 10 Q HA 0.335 4.675 4.340 -0.000 0.000 0.235 10 Q C -0.763 175.297 176.000 0.099 0.000 1.336 10 Q CA 0.489 56.354 55.803 0.103 0.000 1.026 10 Q CB 0.195 28.972 28.738 0.064 0.000 1.513 10 Q HN 0.630 nan 8.270 nan 0.000 0.577 11 L N 1.416 122.723 121.223 0.140 0.000 2.287 11 L HA 0.317 4.657 4.340 -0.000 0.000 0.287 11 L C 0.890 177.844 176.870 0.140 0.000 1.022 11 L CA -0.580 54.332 54.840 0.119 0.000 0.814 11 L CB 1.061 43.179 42.059 0.098 0.000 1.217 11 L HN 0.387 nan 8.230 nan 0.000 0.420 12 N N 1.904 120.660 118.700 0.093 0.000 2.412 12 N HA 0.007 4.747 4.740 -0.000 0.000 0.184 12 N C -0.188 175.369 175.510 0.079 0.000 1.101 12 N CA 0.297 53.392 53.050 0.074 0.000 0.881 12 N CB 0.262 38.776 38.487 0.044 0.000 0.969 12 N HN 0.586 nan 8.380 nan 0.000 0.459 13 N N -0.036 118.720 118.700 0.094 0.000 2.308 13 N HA 0.386 5.126 4.740 -0.000 0.000 0.283 13 N C -1.950 173.635 175.510 0.125 0.000 1.105 13 N CA -0.440 52.669 53.050 0.099 0.000 0.840 13 N CB 1.659 40.188 38.487 0.071 0.000 1.633 13 N HN -0.182 nan 8.380 nan 0.000 0.476 14 L N 2.211 123.540 121.223 0.177 0.000 2.385 14 L HA 0.539 4.879 4.340 -0.000 0.000 0.273 14 L C -0.412 176.624 176.870 0.277 0.000 0.990 14 L CA -0.790 54.157 54.840 0.178 0.000 0.821 14 L CB 1.910 44.063 42.059 0.156 0.000 1.279 14 L HN 0.582 nan 8.230 nan 0.000 0.412 15 N N 0.963 119.762 118.700 0.165 0.000 2.417 15 N HA 0.611 5.351 4.740 -0.000 0.000 0.300 15 N C -0.472 175.100 175.510 0.103 0.000 1.102 15 N CA -0.611 52.552 53.050 0.188 0.000 0.886 15 N CB 2.037 40.589 38.487 0.107 0.000 1.203 15 N HN 0.687 nan 8.380 nan 0.000 0.496 16 A N 2.382 125.309 122.820 0.178 0.000 2.404 16 A HA 0.354 4.674 4.320 -0.000 0.000 0.273 16 A C -0.329 177.294 177.584 0.064 0.000 1.144 16 A CA -0.155 51.914 52.037 0.052 0.000 0.806 16 A CB -0.316 18.766 19.000 0.136 0.000 1.080 16 A HN 0.567 nan 8.150 nan 0.000 0.509 17 L N 2.404 123.666 121.223 0.065 0.000 2.331 17 L HA 0.589 4.929 4.340 -0.000 0.000 0.275 17 L C 0.340 177.479 176.870 0.448 0.000 1.022 17 L CA -0.400 54.531 54.840 0.151 0.000 0.812 17 L CB 1.604 43.704 42.059 0.068 0.000 1.257 17 L HN 0.750 nan 8.230 nan 0.000 0.435 18 E N 1.456 121.807 120.200 0.252 0.000 2.359 18 E HA 0.429 4.779 4.350 -0.000 0.000 0.266 18 E C -2.530 173.667 176.600 -0.672 0.000 0.920 18 E CA -2.105 54.313 56.400 0.031 0.000 0.788 18 E CB 1.982 31.676 29.700 -0.010 0.000 1.279 18 E HN 0.310 nan 8.360 nan 0.000 0.438 19 P HA -0.076 nan 4.420 nan 0.000 0.264 19 P C -0.474 176.555 177.300 -0.452 0.000 1.183 19 P CA 0.630 63.035 63.100 -1.159 0.000 0.763 19 P CB 0.518 31.671 31.700 -0.912 0.000 0.807 20 D N -0.094 120.161 120.400 -0.242 0.000 2.379 20 D HA -0.006 4.634 4.640 -0.000 0.000 0.218 20 D C 0.247 176.559 176.300 0.020 0.000 1.006 20 D CA 0.938 54.916 54.000 -0.036 0.000 0.893 20 D CB 0.292 41.142 40.800 0.085 0.000 1.019 20 D HN 0.494 nan 8.370 nan 0.000 0.503 21 H N 0.300 119.304 119.070 -0.109 0.000 2.690 21 H HA 0.493 5.049 4.556 -0.000 0.000 0.368 21 H C -0.972 174.290 175.328 -0.110 0.000 1.150 21 H CA -0.558 55.436 56.048 -0.090 0.000 1.174 21 H CB 1.292 31.013 29.762 -0.068 0.000 1.684 21 H HN -0.286 nan 8.280 nan 0.000 0.538 22 R N 2.851 122.895 120.500 -0.759 0.000 2.686 22 R HA 0.618 4.958 4.340 -0.000 0.000 0.286 22 R C -1.484 174.457 176.300 -0.598 0.000 0.969 22 R CA -1.207 54.586 56.100 -0.512 0.000 0.898 22 R CB 2.515 32.636 30.300 -0.297 0.000 1.183 22 R HN 0.278 nan 8.270 nan 0.000 0.456 23 V N 2.538 122.265 119.914 -0.312 0.000 2.357 23 V HA 0.197 4.317 4.120 -0.000 0.000 0.281 23 V C -0.543 175.474 176.094 -0.128 0.000 1.015 23 V CA -0.681 61.507 62.300 -0.188 0.000 0.827 23 V CB 1.462 33.229 31.823 -0.093 0.000 1.018 23 V HN 0.722 nan 8.190 nan 0.000 0.432 24 E N 2.688 122.822 120.200 -0.111 0.000 2.194 24 E HA 0.534 4.884 4.350 -0.000 0.000 0.284 24 E C -0.325 176.238 176.600 -0.063 0.000 1.035 24 E CA -0.103 56.249 56.400 -0.080 0.000 0.836 24 E CB 1.351 31.008 29.700 -0.071 0.000 1.070 24 E HN 0.648 nan 8.360 nan 0.000 0.401 25 S N 1.798 117.465 115.700 -0.056 0.000 2.726 25 S HA 0.072 4.542 4.470 -0.000 0.000 0.308 25 S C 1.070 175.652 174.600 -0.031 0.000 1.115 25 S CA -0.892 57.280 58.200 -0.046 0.000 0.965 25 S CB 1.683 64.852 63.200 -0.051 0.000 1.145 25 S HN 0.748 nan 8.310 nan 0.000 0.532 26 E N 1.038 121.225 120.200 -0.022 0.000 2.049 26 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 26 E C 1.421 178.020 176.600 -0.001 0.000 1.007 26 E CA 1.541 57.935 56.400 -0.010 0.000 0.809 26 E CB -0.500 29.198 29.700 -0.004 0.000 0.749 26 E HN 0.782 nan 8.360 nan 0.000 0.450 27 G N -0.689 108.115 108.800 0.007 0.000 3.189 27 G HA2 0.428 4.388 3.960 -0.000 0.000 0.225 27 G HA3 0.428 4.388 3.960 -0.000 0.000 0.225 27 G C 0.192 175.096 174.900 0.007 0.000 1.159 27 G CA 0.267 45.378 45.100 0.018 0.000 0.763 27 G HN 0.527 nan 8.290 nan 0.000 0.549 28 G N -0.899 107.893 108.800 -0.012 0.000 2.428 28 G HA2 0.488 4.448 3.960 -0.000 0.000 0.305 28 G HA3 0.488 4.448 3.960 -0.000 0.000 0.305 28 G C -2.350 172.524 174.900 -0.043 0.000 1.260 28 G CA -0.565 44.520 45.100 -0.024 0.000 0.853 28 G HN 0.625 nan 8.290 nan 0.000 0.480 29 L N -0.403 120.789 121.223 -0.051 0.000 2.445 29 L HA 0.863 5.203 4.340 -0.000 0.000 0.262 29 L C -1.343 175.484 176.870 -0.072 0.000 0.974 29 L CA -0.740 54.062 54.840 -0.064 0.000 0.822 29 L CB 1.999 44.027 42.059 -0.053 0.000 1.339 29 L HN 0.552 nan 8.230 nan 0.000 0.409 30 I N 3.336 123.855 120.570 -0.084 0.000 2.447 30 I HA 0.427 4.597 4.170 -0.000 0.000 0.287 30 I C -0.864 175.201 176.117 -0.087 0.000 1.023 30 I CA -0.466 60.792 61.300 -0.069 0.000 1.083 30 I CB 1.982 39.946 38.000 -0.060 0.000 1.245 30 I HN 0.601 nan 8.210 nan 0.000 0.434 31 E N 4.462 124.624 120.200 -0.062 0.000 2.176 31 E HA 0.487 4.837 4.350 -0.000 0.000 0.267 31 E C -0.794 175.778 176.600 -0.046 0.000 0.893 31 E CA -0.686 55.645 56.400 -0.117 0.000 0.761 31 E CB 2.400 31.995 29.700 -0.175 0.000 1.133 31 E HN 0.618 nan 8.360 nan 0.000 0.409 32 T N -0.865 113.664 114.554 -0.041 0.000 2.887 32 T HA 0.420 4.769 4.350 -0.000 0.000 0.288 32 T C -0.568 174.215 174.700 0.138 0.000 1.021 32 T CA -0.880 61.301 62.100 0.135 0.000 1.000 32 T CB 0.999 69.899 68.868 0.052 0.000 1.034 32 T HN 0.373 nan 8.240 nan 0.000 0.467 33 W N 2.327 123.707 121.300 0.132 0.000 2.365 33 W HA 0.304 4.964 4.660 -0.000 0.000 0.316 33 W C 0.706 177.345 176.519 0.201 0.000 1.164 33 W CA -0.685 56.764 57.345 0.173 0.000 1.204 33 W CB 1.232 30.777 29.460 0.142 0.000 1.213 33 W HN 0.691 nan 8.180 nan 0.000 0.539 34 N N 1.508 120.442 118.700 0.390 0.000 2.440 34 N HA -0.105 4.635 4.740 -0.000 0.000 0.265 34 N C 1.173 176.809 175.510 0.210 0.000 1.239 34 N CA 0.598 53.759 53.050 0.185 0.000 0.909 34 N CB 1.056 39.502 38.487 -0.067 0.000 1.066 34 N HN 0.364 nan 8.380 nan 0.000 0.474 35 S N 2.801 118.586 115.700 0.142 0.000 2.547 35 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 35 S C 1.085 175.710 174.600 0.042 0.000 0.980 35 S CA 0.692 58.946 58.200 0.090 0.000 0.941 35 S CB -0.026 63.186 63.200 0.020 0.000 0.763 35 S HN 0.713 nan 8.310 nan 0.000 0.532 36 Q N 0.036 119.830 119.800 -0.010 0.000 2.360 36 Q HA 0.179 4.519 4.340 -0.000 0.000 0.202 36 Q C -0.485 175.490 176.000 -0.042 0.000 0.915 36 Q CA -0.102 55.676 55.803 -0.042 0.000 0.943 36 Q CB 0.045 28.742 28.738 -0.070 0.000 1.064 36 Q HN 0.722 nan 8.270 nan 0.000 0.511 37 H N 1.582 120.684 119.070 0.054 0.000 2.964 37 H HA -0.042 4.514 4.556 -0.000 0.000 0.328 37 H C -1.286 174.062 175.328 0.033 0.000 1.030 37 H CA -1.008 55.074 56.048 0.056 0.000 1.445 37 H CB 0.730 30.544 29.762 0.086 0.000 1.449 37 H HN 0.049 nan 8.280 nan 0.000 0.581 38 P HA -0.203 nan 4.420 nan 0.000 0.217 38 P C 0.667 178.003 177.300 0.060 0.000 1.148 38 P CA 1.310 64.458 63.100 0.081 0.000 0.828 38 P CB 0.430 32.173 31.700 0.072 0.000 0.783 39 E N 0.094 120.337 120.200 0.071 0.000 2.077 39 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 39 E C 2.249 178.844 176.600 -0.008 0.000 0.989 39 E CA 0.966 57.371 56.400 0.009 0.000 0.800 39 E CB -1.024 28.669 29.700 -0.011 0.000 0.746 39 E HN 0.247 nan 8.360 nan 0.000 0.452 40 L N 0.589 121.833 121.223 0.036 0.000 2.156 40 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 40 L C 2.382 179.249 176.870 -0.004 0.000 1.095 40 L CA 1.017 55.864 54.840 0.011 0.000 0.770 40 L CB -0.341 41.757 42.059 0.065 0.000 0.914 40 L HN 0.179 nan 8.230 nan 0.000 0.439 41 Q N -0.927 118.881 119.800 0.014 0.000 2.119 41 Q HA -0.229 4.111 4.340 -0.000 0.000 0.201 41 Q C 2.527 178.517 176.000 -0.016 0.000 0.972 41 Q CA 1.722 57.523 55.803 -0.003 0.000 0.847 41 Q CB -0.344 28.399 28.738 0.008 0.000 0.903 41 Q HN 0.644 nan 8.270 nan 0.000 0.433 42 c N 0.420 119.007 118.600 -0.021 0.000 2.446 42 c HA 0.027 4.596 4.570 -0.000 0.000 0.277 42 c C 2.718 176.776 174.090 -0.053 0.000 1.275 42 c CA 1.035 57.341 56.329 -0.039 0.000 1.727 42 c CB -0.839 41.633 42.510 -0.063 0.000 2.010 42 c HN 0.534 nan 8.230 nan 0.000 0.486 43 A N -0.591 122.192 122.820 -0.061 0.000 2.067 43 A HA 0.376 4.696 4.320 -0.000 0.000 0.217 43 A C 1.928 179.484 177.584 -0.048 0.000 1.156 43 A CA 1.522 53.522 52.037 -0.062 0.000 0.683 43 A CB -1.154 17.802 19.000 -0.072 0.000 0.808 43 A HN 1.798 nan 8.150 nan 0.000 0.455 44 G N -1.059 107.712 108.800 -0.049 0.000 2.256 44 G HA2 0.030 3.990 3.960 -0.000 0.000 0.272 44 G HA3 0.030 3.990 3.960 -0.000 0.000 0.272 44 G C 0.174 175.018 174.900 -0.094 0.000 1.076 44 G CA 0.862 45.928 45.100 -0.057 0.000 0.882 44 G HN 1.973 nan 8.290 nan 0.000 0.497 45 V N -4.860 114.990 119.914 -0.107 0.000 3.230 45 V HA 0.995 5.115 4.120 -0.000 0.000 0.302 45 V C -0.320 175.694 176.094 -0.132 0.000 1.421 45 V CA 0.135 62.343 62.300 -0.153 0.000 1.065 45 V CB 1.724 33.458 31.823 -0.148 0.000 1.097 45 V HN 1.231 nan 8.190 nan 0.000 0.460 46 T N -0.531 113.932 114.554 -0.152 0.000 2.816 46 T HA 0.785 5.135 4.350 -0.000 0.000 0.299 46 T C -1.781 172.858 174.700 -0.101 0.000 1.230 46 T CA -0.137 61.922 62.100 -0.068 0.000 1.007 46 T CB 1.881 70.752 68.868 0.006 0.000 1.289 46 T HN 1.272 nan 8.240 nan 0.000 0.508 47 V N 1.754 121.653 119.914 -0.025 0.000 2.876 47 V HA 0.849 4.969 4.120 -0.000 0.000 0.312 47 V C -0.489 175.777 176.094 0.288 0.000 1.085 47 V CA -0.804 61.433 62.300 -0.106 0.000 0.945 47 V CB 2.003 33.444 31.823 -0.636 0.000 1.017 47 V HN 0.880 nan 8.190 nan 0.000 0.428 48 S N 2.821 118.654 115.700 0.223 0.000 2.614 48 S HA 0.553 5.023 4.470 -0.000 0.000 0.288 48 S C -1.006 173.749 174.600 0.259 0.000 1.137 48 S CA -0.712 57.682 58.200 0.324 0.000 0.992 48 S CB 1.250 64.605 63.200 0.259 0.000 1.026 48 S HN 0.778 nan 8.310 nan 0.000 0.486 49 K N 3.938 124.524 120.400 0.309 0.000 2.240 49 K HA 0.490 4.810 4.320 -0.000 0.000 0.271 49 K C -0.680 175.970 176.600 0.083 0.000 1.018 49 K CA -0.562 55.838 56.287 0.188 0.000 0.874 49 K CB 0.636 33.276 32.500 0.232 0.000 1.098 49 K HN 0.627 nan 8.250 nan 0.000 0.458 50 R N 1.982 122.515 120.500 0.054 0.000 2.562 50 R HA 0.356 4.696 4.340 -0.000 0.000 0.298 50 R C -0.996 175.313 176.300 0.015 0.000 0.961 50 R CA -0.661 55.445 56.100 0.011 0.000 0.881 50 R CB 2.284 32.584 30.300 -0.000 0.000 1.159 50 R HN 0.474 nan 8.270 nan 0.000 0.450 51 T N 3.673 118.223 114.554 -0.007 0.000 2.809 51 T HA 0.384 4.734 4.350 -0.000 0.000 0.284 51 T C -1.037 173.664 174.700 0.002 0.000 0.992 51 T CA -0.649 61.457 62.100 0.010 0.000 0.957 51 T CB 0.945 69.818 68.868 0.008 0.000 0.942 51 T HN 0.060 nan 8.240 nan 0.000 0.439 52 L N 4.237 125.476 121.223 0.027 0.000 2.280 52 L HA 0.431 4.770 4.340 -0.000 0.000 0.287 52 L C 0.652 177.526 176.870 0.006 0.000 1.023 52 L CA -0.326 54.530 54.840 0.027 0.000 0.819 52 L CB 0.646 42.745 42.059 0.066 0.000 1.212 52 L HN 0.575 nan 8.230 nan 0.000 0.420 53 N N 2.350 121.049 118.700 -0.001 0.000 2.294 53 N HA 0.288 5.028 4.740 -0.000 0.000 0.248 53 N C -0.053 175.437 175.510 -0.033 0.000 1.300 53 N CA -0.838 52.206 53.050 -0.010 0.000 0.925 53 N CB 0.478 38.963 38.487 -0.004 0.000 1.188 53 N HN 0.463 nan 8.380 nan 0.000 0.512 54 R N 1.383 121.862 120.500 -0.034 0.000 2.523 54 R HA -0.148 4.192 4.340 -0.000 0.000 0.281 54 R C -0.537 175.738 176.300 -0.042 0.000 0.969 54 R CA 0.581 56.649 56.100 -0.054 0.000 1.093 54 R CB -0.688 29.595 30.300 -0.028 0.000 0.917 54 R HN 0.808 nan 8.270 nan 0.000 0.408 55 N N 0.066 118.705 118.700 -0.102 0.000 2.753 55 N HA -0.162 4.578 4.740 -0.000 0.000 0.251 55 N C 0.074 175.646 175.510 0.104 0.000 1.097 55 N CA 0.758 53.822 53.050 0.024 0.000 0.786 55 N CB -0.707 37.865 38.487 0.141 0.000 1.137 55 N HN 0.899 nan 8.380 nan 0.000 0.566 56 G N 0.734 109.518 108.800 -0.026 0.000 2.380 56 G HA2 0.435 4.395 3.960 -0.000 0.000 0.262 56 G HA3 0.435 4.395 3.960 -0.000 0.000 0.262 56 G C -0.380 174.646 174.900 0.209 0.000 1.243 56 G CA -0.240 44.906 45.100 0.076 0.000 0.865 56 G HN 0.155 nan 8.290 nan 0.000 0.513 57 L N 2.610 124.003 121.223 0.283 0.000 2.343 57 L HA 0.396 4.736 4.340 -0.000 0.000 0.278 57 L C -0.102 176.953 176.870 0.309 0.000 0.996 57 L CA -0.899 54.165 54.840 0.373 0.000 0.831 57 L CB 1.432 43.674 42.059 0.305 0.000 1.232 57 L HN 0.706 nan 8.230 nan 0.000 0.413 58 H N 5.807 125.010 119.070 0.222 0.000 2.782 58 H HA 0.344 4.900 4.556 -0.000 0.000 0.285 58 H C -0.432 174.989 175.328 0.155 0.000 1.093 58 H CA -0.922 55.223 56.048 0.162 0.000 1.410 58 H CB 0.616 30.463 29.762 0.142 0.000 1.439 58 H HN 0.657 nan 8.280 nan 0.000 0.469 59 L N 7.562 128.957 121.223 0.287 0.000 2.514 59 L HA 0.040 4.380 4.340 -0.000 0.000 0.280 59 L C -1.720 175.173 176.870 0.039 0.000 1.223 59 L CA -1.743 53.188 54.840 0.151 0.000 0.864 59 L CB 0.059 42.208 42.059 0.150 0.000 1.118 59 L HN 0.608 nan 8.230 nan 0.000 0.494 60 P HA -0.014 nan 4.420 nan 0.000 0.262 60 P C -0.642 176.585 177.300 -0.122 0.000 1.182 60 P CA 0.173 63.233 63.100 -0.067 0.000 0.761 60 P CB 0.822 32.550 31.700 0.046 0.000 0.795 61 S N 2.610 118.102 115.700 -0.347 0.000 2.615 61 S HA 0.803 5.273 4.470 -0.000 0.000 0.269 61 S C -1.357 173.188 174.600 -0.092 0.000 1.161 61 S CA -0.769 57.202 58.200 -0.382 0.000 0.817 61 S CB 1.512 64.114 63.200 -0.997 0.000 1.131 61 S HN 0.551 nan 8.310 nan 0.000 0.467 62 Y N -1.635 118.590 120.300 -0.124 0.000 2.597 62 Y HA 0.888 5.438 4.550 -0.000 0.000 0.340 62 Y C -0.927 174.941 175.900 -0.053 0.000 1.097 62 Y CA -0.947 57.120 58.100 -0.055 0.000 1.037 62 Y CB 1.237 39.640 38.460 -0.095 0.000 1.305 62 Y HN 0.745 nan 8.280 nan 0.000 0.463 63 S N 1.913 117.571 115.700 -0.069 0.000 2.570 63 S HA 0.474 4.944 4.470 -0.000 0.000 0.286 63 S C -2.732 171.628 174.600 -0.400 0.000 1.099 63 S CA -1.501 56.506 58.200 -0.321 0.000 0.913 63 S CB 2.345 65.133 63.200 -0.686 0.000 1.085 63 S HN 0.665 nan 8.310 nan 0.000 0.480 64 P HA 0.154 nan 4.420 nan 0.000 0.258 64 P C -1.213 176.020 177.300 -0.111 0.000 1.559 64 P CA 0.226 63.212 63.100 -0.189 0.000 0.855 64 P CB -0.789 30.907 31.700 -0.007 0.000 1.594 65 Y N -3.313 116.972 120.300 -0.025 0.000 2.656 65 Y HA 0.687 5.237 4.550 -0.000 0.000 0.334 65 Y C -3.075 172.756 175.900 -0.115 0.000 1.179 65 Y CA -3.321 54.749 58.100 -0.050 0.000 1.050 65 Y CB 0.112 38.549 38.460 -0.038 0.000 1.308 65 Y HN -0.313 nan 8.280 nan 0.000 0.456 66 P HA 0.258 nan 4.420 nan 0.000 0.276 66 P C -1.474 175.812 177.300 -0.024 0.000 1.244 66 P CA -0.245 62.751 63.100 -0.173 0.000 0.801 66 P CB 1.650 33.157 31.700 -0.322 0.000 1.006 67 Q N 0.591 120.311 119.800 -0.133 0.000 2.375 67 Q HA 0.625 4.965 4.340 -0.000 0.000 0.271 67 Q C -0.697 175.234 176.000 -0.115 0.000 1.074 67 Q CA -0.667 55.079 55.803 -0.095 0.000 0.808 67 Q CB 2.789 31.456 28.738 -0.119 0.000 1.327 67 Q HN 0.426 nan 8.270 nan 0.000 0.441 68 M N 3.896 123.432 119.600 -0.107 0.000 2.125 68 M HA 0.520 5.000 4.480 -0.000 0.000 0.321 68 M C -1.858 174.429 176.300 -0.022 0.000 0.983 68 M CA -0.414 54.881 55.300 -0.009 0.000 0.934 68 M CB 0.814 33.479 32.600 0.109 0.000 1.542 68 M HN 0.608 nan 8.290 nan 0.000 0.424 69 I N 5.594 126.179 120.570 0.026 0.000 2.474 69 I HA 0.496 4.666 4.170 -0.000 0.000 0.294 69 I C -0.870 175.306 176.117 0.097 0.000 1.005 69 I CA -0.819 60.497 61.300 0.026 0.000 1.113 69 I CB 2.137 40.092 38.000 -0.076 0.000 1.289 69 I HN 0.708 nan 8.210 nan 0.000 0.436 70 I N 6.271 126.927 120.570 0.143 0.000 2.406 70 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 70 I C -0.793 175.352 176.117 0.047 0.000 0.999 70 I CA -0.746 60.617 61.300 0.105 0.000 1.124 70 I CB 1.506 39.592 38.000 0.143 0.000 1.289 70 I HN 0.227 nan 8.210 nan 0.000 0.441 71 V N 8.141 128.065 119.914 0.016 0.000 2.389 71 V HA 0.055 4.175 4.120 -0.000 0.000 0.264 71 V C 0.990 177.131 176.094 0.078 0.000 1.049 71 V CA -0.160 62.159 62.300 0.032 0.000 0.932 71 V CB 1.032 32.894 31.823 0.065 0.000 1.011 71 V HN 0.724 nan 8.190 nan 0.000 0.475 72 V N 1.710 121.685 119.914 0.100 0.000 3.647 72 V HA 0.351 4.471 4.120 -0.000 0.000 0.279 72 V C 0.345 176.511 176.094 0.119 0.000 1.314 72 V CA 0.509 62.886 62.300 0.128 0.000 1.125 72 V CB -0.234 31.704 31.823 0.192 0.000 0.907 72 V HN 0.866 nan 8.190 nan 0.000 0.434 73 Q N -0.303 119.566 119.800 0.115 0.000 2.403 73 Q HA 0.521 4.861 4.340 -0.000 0.000 0.267 73 Q C -0.236 175.830 176.000 0.111 0.000 0.991 73 Q CA 0.247 56.111 55.803 0.102 0.000 0.906 73 Q CB 1.801 30.595 28.738 0.093 0.000 1.422 73 Q HN 0.983 nan 8.270 nan 0.000 0.400 74 G N 2.503 111.355 108.800 0.086 0.000 2.660 74 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 74 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 74 G C -1.427 173.522 174.900 0.083 0.000 1.345 74 G CA -0.095 45.046 45.100 0.069 0.000 0.877 74 G HN 0.838 nan 8.290 nan 0.000 0.549 75 K N -0.945 119.455 120.400 0.001 0.000 2.546 75 K HA 0.836 5.156 4.320 -0.000 0.000 0.264 75 K C 0.049 176.419 176.600 -0.383 0.000 0.937 75 K CA -0.344 55.860 56.287 -0.139 0.000 0.833 75 K CB 1.923 34.345 32.500 -0.131 0.000 1.378 75 K HN 2.244 nan 8.250 nan 0.000 0.432 76 G N 0.182 108.381 108.800 -1.003 0.000 2.570 76 G HA2 0.695 4.655 3.960 -0.000 0.000 0.310 76 G HA3 0.695 4.655 3.960 -0.000 0.000 0.310 76 G C -1.840 172.375 174.900 -1.142 0.000 1.266 76 G CA -0.490 44.037 45.100 -0.956 0.000 0.825 76 G HN 0.829 nan 8.290 nan 0.000 0.483 77 A N -0.709 121.850 122.820 -0.435 0.000 2.475 77 A HA 0.821 5.141 4.320 -0.000 0.000 0.301 77 A C -1.330 176.302 177.584 0.080 0.000 1.059 77 A CA -0.559 51.393 52.037 -0.142 0.000 0.710 77 A CB 1.623 20.714 19.000 0.152 0.000 1.288 77 A HN 1.474 nan 8.150 nan 0.000 0.408 78 I N 1.151 121.670 120.570 -0.085 0.000 2.608 78 I HA 0.786 4.956 4.170 -0.000 0.000 0.295 78 I C -0.035 175.583 176.117 -0.832 0.000 1.049 78 I CA -0.505 60.536 61.300 -0.431 0.000 1.063 78 I CB 2.105 39.975 38.000 -0.217 0.000 1.248 78 I HN 0.789 nan 8.210 nan 0.000 0.424 79 G N 6.042 113.915 108.800 -1.546 0.000 2.617 79 G HA2 0.648 4.608 3.960 -0.000 0.000 0.306 79 G HA3 0.648 4.608 3.960 -0.000 0.000 0.306 79 G C -1.654 172.747 174.900 -0.832 0.000 1.360 79 G CA -0.364 44.075 45.100 -1.102 0.000 0.983 79 G HN 0.430 nan 8.290 nan 0.000 0.496 80 F N 0.529 120.400 119.950 -0.133 0.000 2.541 80 F HA 0.716 5.243 4.527 -0.000 0.000 0.331 80 F C 0.598 176.457 175.800 0.098 0.000 1.057 80 F CA -0.959 57.041 58.000 -0.001 0.000 0.975 80 F CB 2.620 41.668 39.000 0.079 0.000 1.246 80 F HN 0.558 nan 8.300 nan 0.000 0.484 81 A N 1.940 124.889 122.820 0.216 0.000 2.664 81 A HA 0.593 4.913 4.320 -0.000 0.000 0.338 81 A C -1.380 176.226 177.584 0.037 0.000 1.280 81 A CA -0.384 51.744 52.037 0.151 0.000 0.809 81 A CB -0.804 18.247 19.000 0.085 0.000 1.114 81 A HN 0.512 nan 8.150 nan 0.000 0.479 82 F N 3.754 123.740 119.950 0.060 0.000 2.467 82 F HA 0.311 4.838 4.527 -0.000 0.000 0.362 82 F C -1.417 174.382 175.800 -0.001 0.000 1.090 82 F CA -1.812 56.196 58.000 0.012 0.000 1.202 82 F CB 0.847 39.843 39.000 -0.007 0.000 1.113 82 F HN 0.396 nan 8.300 nan 0.000 0.541 83 P HA 0.071 nan 4.420 nan 0.000 0.263 83 P C 0.701 178.038 177.300 0.063 0.000 1.195 83 P CA 0.721 63.843 63.100 0.037 0.000 0.762 83 P CB 0.869 32.558 31.700 -0.018 0.000 0.799 84 G N 2.137 110.964 108.800 0.044 0.000 2.184 84 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 84 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 84 G C 0.285 175.212 174.900 0.045 0.000 0.975 84 G CA 0.091 45.213 45.100 0.037 0.000 0.642 84 G HN 0.678 nan 8.290 nan 0.000 0.536 85 c N 2.003 120.646 118.600 0.071 0.000 2.539 85 c HA 0.567 5.137 4.570 -0.000 0.000 0.392 85 c C -1.067 173.051 174.090 0.047 0.000 1.269 85 c CA -1.106 55.257 56.329 0.057 0.000 2.250 85 c CB 0.899 43.454 42.510 0.075 0.000 2.584 85 c HN 0.422 nan 8.230 nan 0.000 0.589 86 P HA 0.148 nan 4.420 nan 0.000 0.272 86 P C -0.707 176.619 177.300 0.044 0.000 1.223 86 P CA 0.003 63.121 63.100 0.030 0.000 0.784 86 P CB 0.409 32.121 31.700 0.021 0.000 0.923 87 E N 0.975 121.202 120.200 0.044 0.000 1.893 87 E HA 0.063 4.413 4.350 -0.000 0.000 0.269 87 E C 0.785 177.423 176.600 0.063 0.000 1.129 87 E CA 0.065 56.498 56.400 0.055 0.000 0.904 87 E CB -0.354 29.371 29.700 0.042 0.000 1.077 87 E HN 0.454 nan 8.360 nan 0.000 0.407 88 T N -1.298 113.322 114.554 0.110 0.000 3.118 88 T HA 0.044 4.394 4.350 -0.000 0.000 0.260 88 T C 0.397 175.265 174.700 0.280 0.000 1.139 88 T CA 0.111 62.310 62.100 0.165 0.000 1.085 88 T CB -0.178 68.801 68.868 0.186 0.000 0.934 88 T HN 0.056 nan 8.240 nan 0.000 0.518 89 F N 3.327 123.203 119.950 -0.123 0.000 2.332 89 F HA 0.476 5.003 4.527 -0.000 0.000 0.368 89 F C 0.289 175.911 175.800 -0.297 0.000 1.110 89 F CA -2.275 55.595 58.000 -0.216 0.000 1.087 89 F CB 0.894 39.701 39.000 -0.322 0.000 1.235 89 F HN 0.342 nan 8.300 nan 0.000 0.470 90 E N 2.189 122.327 120.200 -0.103 0.000 2.288 90 E HA 0.525 4.875 4.350 -0.000 0.000 0.268 90 E C -1.492 175.044 176.600 -0.107 0.000 0.885 90 E CA -1.261 55.076 56.400 -0.105 0.000 0.767 90 E CB 2.973 32.635 29.700 -0.062 0.000 1.220 90 E HN 0.394 nan 8.360 nan 0.000 0.427 91 K N 3.042 123.392 120.400 -0.084 0.000 2.535 91 K HA 0.383 4.703 4.320 -0.000 0.000 0.253 91 K C -2.773 173.799 176.600 -0.047 0.000 0.953 91 K CA -2.192 54.056 56.287 -0.066 0.000 0.863 91 K CB 1.718 34.184 32.500 -0.056 0.000 1.111 91 K HN 0.295 nan 8.250 nan 0.000 0.431 92 P HA 0.027 nan 4.420 nan 0.000 0.271 92 P C -0.670 176.614 177.300 -0.026 0.000 1.218 92 P CA -0.258 62.823 63.100 -0.032 0.000 0.780 92 P CB 0.823 32.505 31.700 -0.030 0.000 0.901 107 L N 2.547 123.758 121.223 -0.021 0.000 2.499 107 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 107 L C 1.558 178.415 176.870 -0.023 0.000 1.195 107 L CA 0.706 55.532 54.840 -0.024 0.000 0.882 107 L CB 0.532 42.577 42.059 -0.024 0.000 1.133 107 L HN 0.839 nan 8.230 nan 0.000 0.483 108 Q N 1.424 121.209 119.800 -0.025 0.000 2.339 108 Q HA 0.043 4.383 4.340 -0.000 0.000 0.205 108 Q C -0.460 175.528 176.000 -0.021 0.000 0.925 108 Q CA 0.674 56.463 55.803 -0.022 0.000 0.898 108 Q CB 0.640 29.365 28.738 -0.022 0.000 1.013 108 Q HN 0.786 nan 8.270 nan 0.000 0.504 109 D N -0.852 119.534 120.400 -0.023 0.000 2.766 109 D HA 0.233 4.873 4.640 -0.000 0.000 0.244 109 D C -1.892 174.388 176.300 -0.033 0.000 1.198 109 D CA -0.004 53.989 54.000 -0.012 0.000 0.739 109 D CB 1.273 42.078 40.800 0.009 0.000 1.379 109 D HN 0.090 nan 8.370 nan 0.000 0.437 110 S N 0.844 116.531 115.700 -0.021 0.000 2.537 110 S HA 0.902 5.372 4.470 -0.000 0.000 0.270 110 S C -1.075 173.528 174.600 0.005 0.000 1.142 110 S CA -0.701 57.452 58.200 -0.078 0.000 0.870 110 S CB 1.830 65.006 63.200 -0.040 0.000 1.112 110 S HN 0.859 nan 8.310 nan 0.000 0.466 111 H N -0.567 118.543 119.070 0.067 0.000 2.883 111 H HA 0.620 5.176 4.556 -0.000 0.000 0.277 111 H C -1.079 174.278 175.328 0.049 0.000 1.451 111 H CA -1.045 55.033 56.048 0.049 0.000 1.157 111 H CB 0.145 29.926 29.762 0.032 0.000 1.851 111 H HN 0.643 nan 8.280 nan 0.000 0.566 112 Q N 0.320 120.284 119.800 0.273 0.000 2.249 112 Q HA 0.203 4.543 4.340 -0.000 0.000 0.226 112 Q C -0.300 175.628 176.000 -0.121 0.000 0.983 112 Q CA -1.098 54.763 55.803 0.096 0.000 0.930 112 Q CB 1.212 30.029 28.738 0.131 0.000 1.193 112 Q HN 0.527 nan 8.270 nan 0.000 0.508 113 K N 1.183 121.337 120.400 -0.410 0.000 2.550 113 K HA -0.062 4.258 4.320 -0.000 0.000 0.280 113 K C -0.711 175.565 176.600 -0.541 0.000 0.987 113 K CA 0.194 55.932 56.287 -0.915 0.000 1.048 113 K CB 0.331 32.585 32.500 -0.409 0.000 0.879 113 K HN 0.350 nan 8.250 nan 0.000 0.491 114 I N 5.087 125.277 120.570 -0.633 0.000 2.336 114 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 114 I C 0.031 176.060 176.117 -0.147 0.000 0.991 114 I CA -0.472 60.688 61.300 -0.234 0.000 1.227 114 I CB 1.325 39.287 38.000 -0.062 0.000 1.366 114 I HN 0.614 nan 8.210 nan 0.000 0.466 115 R N 5.288 125.691 120.500 -0.162 0.000 2.393 115 R HA 0.462 4.802 4.340 -0.000 0.000 0.310 115 R C -0.365 175.814 176.300 -0.201 0.000 0.968 115 R CA -0.583 55.453 56.100 -0.108 0.000 0.867 115 R CB 1.375 31.654 30.300 -0.036 0.000 1.124 115 R HN 0.463 nan 8.270 nan 0.000 0.450 116 H N 3.003 122.049 119.070 -0.039 0.000 2.472 116 H HA 0.353 4.909 4.556 -0.000 0.000 0.335 116 H C -0.418 174.856 175.328 -0.091 0.000 1.136 116 H CA -0.264 55.737 56.048 -0.079 0.000 1.264 116 H CB 1.350 31.101 29.762 -0.018 0.000 1.486 116 H HN 0.509 nan 8.280 nan 0.000 0.517 117 F N 0.148 120.147 119.950 0.083 0.000 2.613 117 F HA 0.536 5.063 4.527 -0.000 0.000 0.314 117 F C -0.834 175.038 175.800 0.119 0.000 1.075 117 F CA -1.040 57.027 58.000 0.112 0.000 0.945 117 F CB 1.522 40.582 39.000 0.100 0.000 1.310 117 F HN 0.278 nan 8.300 nan 0.000 0.467 118 N N 0.143 119.078 118.700 0.392 0.000 2.571 118 N HA 0.197 4.937 4.740 -0.000 0.000 0.273 118 N C -1.613 174.042 175.510 0.241 0.000 1.340 118 N CA -0.845 52.346 53.050 0.235 0.000 0.789 118 N CB 2.233 40.795 38.487 0.125 0.000 1.514 118 N HN 0.866 nan 8.380 nan 0.000 0.499 119 E N -0.636 119.658 120.200 0.156 0.000 2.452 119 E HA 0.284 4.634 4.350 -0.000 0.000 0.261 119 E C 0.651 177.276 176.600 0.042 0.000 0.987 119 E CA 0.236 56.699 56.400 0.106 0.000 0.926 119 E CB 0.172 29.919 29.700 0.078 0.000 0.934 119 E HN 0.795 nan 8.360 nan 0.000 0.452 120 G N 2.683 111.476 108.800 -0.011 0.000 2.213 120 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 120 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 120 G C -0.336 174.506 174.900 -0.095 0.000 0.991 120 G CA 0.098 45.118 45.100 -0.132 0.000 0.629 120 G HN 0.623 nan 8.290 nan 0.000 0.517 121 D N 0.181 120.591 120.400 0.018 0.000 2.264 121 D HA 0.587 5.227 4.640 -0.000 0.000 0.249 121 D C 0.270 176.594 176.300 0.040 0.000 1.070 121 D CA -0.125 53.907 54.000 0.054 0.000 0.912 121 D CB 1.993 42.930 40.800 0.229 0.000 1.193 121 D HN 0.146 nan 8.370 nan 0.000 0.427 122 V N 2.571 122.505 119.914 0.033 0.000 2.513 122 V HA 0.449 4.569 4.120 -0.000 0.000 0.299 122 V C 0.007 176.154 176.094 0.088 0.000 1.035 122 V CA -0.691 61.642 62.300 0.057 0.000 0.889 122 V CB 1.449 33.308 31.823 0.061 0.000 0.988 122 V HN 0.298 nan 8.190 nan 0.000 0.440 123 L N 4.651 125.913 121.223 0.065 0.000 2.354 123 L HA 0.774 5.114 4.340 -0.000 0.000 0.269 123 L C -0.948 175.959 176.870 0.061 0.000 1.005 123 L CA -0.976 53.914 54.840 0.082 0.000 0.819 123 L CB 2.204 44.242 42.059 -0.035 0.000 1.311 123 L HN 0.294 nan 8.230 nan 0.000 0.423 124 V N 3.416 123.387 119.914 0.095 0.000 2.531 124 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 124 V C -0.305 175.773 176.094 -0.027 0.000 1.034 124 V CA -0.471 61.845 62.300 0.027 0.000 0.865 124 V CB 2.232 34.118 31.823 0.105 0.000 0.995 124 V HN 0.410 nan 8.190 nan 0.000 0.424 125 I N 6.210 126.677 120.570 -0.172 0.000 2.330 125 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 125 I C -2.469 173.401 176.117 -0.412 0.000 1.001 125 I CA -2.780 58.401 61.300 -0.198 0.000 1.193 125 I CB 1.406 39.160 38.000 -0.409 0.000 1.345 125 I HN 0.351 nan 8.210 nan 0.000 0.461 126 P HA 0.254 nan 4.420 nan 0.000 0.274 126 P C -2.523 174.544 177.300 -0.389 0.000 1.231 126 P CA -1.287 61.429 63.100 -0.638 0.000 0.790 126 P CB -0.025 31.481 31.700 -0.323 0.000 0.951 127 P HA 0.055 nan 4.420 nan 0.000 0.268 127 P C 1.012 178.217 177.300 -0.158 0.000 1.204 127 P CA 1.115 64.098 63.100 -0.196 0.000 0.768 127 P CB 0.081 31.725 31.700 -0.093 0.000 0.842 128 G N 1.475 110.198 108.800 -0.128 0.000 2.220 128 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.269 128 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.269 128 G C 0.141 174.879 174.900 -0.270 0.000 0.977 128 G CA 0.057 45.058 45.100 -0.165 0.000 0.634 128 G HN 0.531 nan 8.290 nan 0.000 0.539 129 V N 2.643 122.438 119.914 -0.198 0.000 2.432 129 V HA 0.416 4.536 4.120 -0.000 0.000 0.271 129 V C -1.509 174.569 176.094 -0.025 0.000 1.046 129 V CA -1.407 60.754 62.300 -0.231 0.000 0.945 129 V CB 1.438 33.026 31.823 -0.392 0.000 0.992 129 V HN 0.108 nan 8.190 nan 0.000 0.471 130 P HA 0.281 nan 4.420 nan 0.000 0.271 130 P C -1.327 176.057 177.300 0.140 0.000 1.216 130 P CA 0.139 63.302 63.100 0.106 0.000 0.776 130 P CB 0.264 31.995 31.700 0.051 0.000 0.881 131 Y N 1.319 121.555 120.300 -0.108 0.000 2.571 131 Y HA 0.794 5.344 4.550 -0.000 0.000 0.341 131 Y C -1.882 173.884 175.900 -0.223 0.000 1.076 131 Y CA -1.412 56.476 58.100 -0.354 0.000 1.029 131 Y CB 1.194 39.278 38.460 -0.627 0.000 1.308 131 Y HN 0.538 nan 8.280 nan 0.000 0.461 132 W N 1.781 122.831 121.300 -0.416 0.000 3.107 132 W HA 0.752 5.412 4.660 -0.000 0.000 0.331 132 W C -1.969 174.494 176.519 -0.094 0.000 1.204 132 W CA -0.756 56.365 57.345 -0.373 0.000 1.184 132 W CB 1.479 30.813 29.460 -0.210 0.000 1.421 132 W HN 1.003 nan 8.180 nan 0.000 0.544 133 T N -0.261 114.476 114.554 0.304 0.000 2.906 133 T HA 0.657 5.007 4.350 -0.000 0.000 0.295 133 T C -1.960 173.120 174.700 0.633 0.000 1.061 133 T CA -0.538 61.784 62.100 0.369 0.000 1.000 133 T CB 2.934 72.012 68.868 0.350 0.000 1.103 133 T HN 0.606 nan 8.240 nan 0.000 0.486 134 Y N 1.258 121.826 120.300 0.447 0.000 2.470 134 Y HA 0.507 5.057 4.550 -0.000 0.000 0.341 134 Y C -0.705 175.322 175.900 0.212 0.000 1.021 134 Y CA -1.101 57.222 58.100 0.371 0.000 1.025 134 Y CB 1.838 40.597 38.460 0.499 0.000 1.266 134 Y HN 0.989 nan 8.280 nan 0.000 0.448 135 N N 2.866 121.209 118.700 -0.596 0.000 2.411 135 N HA 0.124 4.864 4.740 -0.000 0.000 0.259 135 N C 0.397 175.365 175.510 -0.902 0.000 1.103 135 N CA 0.511 53.240 53.050 -0.536 0.000 0.954 135 N CB 0.812 39.103 38.487 -0.325 0.000 1.085 135 N HN 0.815 nan 8.380 nan 0.000 0.485 136 T N 0.018 114.246 114.554 -0.543 0.000 3.069 136 T HA 0.276 4.626 4.350 -0.000 0.000 0.252 136 T C 0.820 175.332 174.700 -0.313 0.000 1.053 136 T CA -0.465 61.358 62.100 -0.461 0.000 0.964 136 T CB 0.412 68.979 68.868 -0.502 0.000 1.005 136 T HN 0.392 nan 8.240 nan 0.000 0.532 137 G N -0.066 108.583 108.800 -0.251 0.000 3.016 137 G HA2 0.486 4.446 3.960 -0.000 0.000 0.270 137 G HA3 0.486 4.446 3.960 -0.000 0.000 0.270 137 G C -0.289 174.540 174.900 -0.119 0.000 1.352 137 G CA -0.473 44.532 45.100 -0.158 0.000 1.060 137 G HN 0.038 nan 8.290 nan 0.000 0.538 138 D N -0.393 119.961 120.400 -0.076 0.000 2.149 138 D HA 0.004 4.644 4.640 -0.000 0.000 0.206 138 D C 1.274 177.551 176.300 -0.039 0.000 0.967 138 D CA 0.755 54.724 54.000 -0.052 0.000 0.848 138 D CB 0.087 40.867 40.800 -0.034 0.000 0.998 138 D HN 0.682 nan 8.370 nan 0.000 0.474 139 E N 2.539 122.721 120.200 -0.029 0.000 2.392 139 E HA 0.185 4.535 4.350 -0.000 0.000 0.259 139 E C -2.399 174.193 176.600 -0.014 0.000 1.108 139 E CA -1.529 54.863 56.400 -0.013 0.000 0.916 139 E CB 0.306 30.007 29.700 0.001 0.000 0.989 139 E HN -0.055 nan 8.360 nan 0.000 0.432 140 P HA 0.006 nan 4.420 nan 0.000 0.274 140 P C -0.468 176.851 177.300 0.031 0.000 1.231 140 P CA -0.374 62.730 63.100 0.006 0.000 0.790 140 P CB 0.926 32.634 31.700 0.013 0.000 0.951 141 V N 3.446 123.388 119.914 0.046 0.000 2.432 141 V HA 0.158 4.278 4.120 -0.000 0.000 0.275 141 V C 0.457 176.606 176.094 0.091 0.000 1.043 141 V CA -0.292 62.069 62.300 0.102 0.000 0.925 141 V CB 1.465 33.394 31.823 0.176 0.000 0.985 141 V HN 0.267 nan 8.190 nan 0.000 0.466 142 V N 4.744 124.716 119.914 0.097 0.000 2.409 142 V HA 0.849 4.969 4.120 -0.000 0.000 0.291 142 V C 0.161 176.300 176.094 0.076 0.000 1.020 142 V CA -0.387 61.963 62.300 0.083 0.000 0.848 142 V CB 1.518 33.398 31.823 0.094 0.000 0.990 142 V HN 0.984 nan 8.190 nan 0.000 0.430 143 A N 5.349 128.199 122.820 0.049 0.000 2.435 143 A HA 0.950 5.270 4.320 -0.000 0.000 0.304 143 A C -1.332 176.253 177.584 0.001 0.000 1.064 143 A CA -0.522 51.525 52.037 0.016 0.000 0.727 143 A CB 1.442 20.426 19.000 -0.028 0.000 1.284 143 A HN 0.632 nan 8.150 nan 0.000 0.415 144 I N 1.298 121.849 120.570 -0.031 0.000 2.382 144 I HA 0.424 4.594 4.170 -0.000 0.000 0.286 144 I C 0.435 176.510 176.117 -0.070 0.000 1.002 144 I CA 0.120 61.355 61.300 -0.108 0.000 1.135 144 I CB 1.861 39.631 38.000 -0.384 0.000 1.288 144 I HN 0.492 nan 8.210 nan 0.000 0.448 145 S N 6.816 122.454 115.700 -0.103 0.000 2.437 145 S HA 0.525 4.995 4.470 -0.000 0.000 0.305 145 S C -0.752 173.642 174.600 -0.342 0.000 1.109 145 S CA -0.652 57.449 58.200 -0.166 0.000 1.099 145 S CB 0.675 63.849 63.200 -0.044 0.000 1.004 145 S HN 0.525 nan 8.310 nan 0.000 0.475 146 L N 6.144 127.000 121.223 -0.611 0.000 2.261 146 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 146 L C -1.451 175.226 176.870 -0.323 0.000 1.059 146 L CA -0.469 53.944 54.840 -0.712 0.000 0.816 146 L CB 0.458 41.755 42.059 -1.270 0.000 1.191 146 L HN 0.639 nan 8.230 nan 0.000 0.431 147 L N 5.618 126.716 121.223 -0.208 0.000 2.282 147 L HA 0.204 4.544 4.340 -0.000 0.000 0.287 147 L C 0.408 177.129 176.870 -0.250 0.000 1.075 147 L CA 0.026 54.804 54.840 -0.103 0.000 0.839 147 L CB 0.361 42.384 42.059 -0.059 0.000 1.219 147 L HN 0.484 nan 8.230 nan 0.000 0.434 148 D N 1.087 121.399 120.400 -0.146 0.000 2.671 148 D HA -0.021 4.618 4.640 -0.000 0.000 0.228 148 D C 1.514 177.645 176.300 -0.283 0.000 1.102 148 D CA 0.279 54.191 54.000 -0.147 0.000 1.044 148 D CB 0.415 41.208 40.800 -0.012 0.000 1.113 148 D HN 0.658 nan 8.370 nan 0.000 0.480 149 T N -2.077 112.136 114.554 -0.569 0.000 2.803 149 T HA -0.232 4.118 4.350 -0.000 0.000 0.269 149 T C 1.817 176.369 174.700 -0.247 0.000 1.052 149 T CA 1.344 63.036 62.100 -0.680 0.000 1.136 149 T CB -0.363 68.151 68.868 -0.589 0.000 0.864 149 T HN 0.241 nan 8.240 nan 0.000 0.467 150 S N 1.033 116.648 115.700 -0.141 0.000 2.603 150 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 150 S C 0.818 175.436 174.600 0.030 0.000 0.967 150 S CA -0.547 57.628 58.200 -0.042 0.000 0.920 150 S CB -0.874 62.311 63.200 -0.025 0.000 0.773 150 S HN 0.610 nan 8.310 nan 0.000 0.529 151 N N 0.914 119.640 118.700 0.043 0.000 2.356 151 N HA -0.082 4.658 4.740 -0.000 0.000 0.252 151 N C 0.549 176.159 175.510 0.166 0.000 1.241 151 N CA 0.055 53.181 53.050 0.126 0.000 0.861 151 N CB 0.097 38.671 38.487 0.145 0.000 1.075 151 N HN 0.230 nan 8.380 nan 0.000 0.461 152 F N 4.237 124.217 119.950 0.050 0.000 2.192 152 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 152 F C 1.859 177.691 175.800 0.054 0.000 1.079 152 F CA 1.431 59.458 58.000 0.045 0.000 1.303 152 F CB -0.063 38.960 39.000 0.038 0.000 1.024 152 F HN 0.594 nan 8.300 nan 0.000 0.494 153 N N 0.347 119.132 118.700 0.141 0.000 2.453 153 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 153 N C 0.210 175.722 175.510 0.002 0.000 1.041 153 N CA 0.496 53.582 53.050 0.060 0.000 0.900 153 N CB -0.717 37.854 38.487 0.140 0.000 0.961 153 N HN 0.226 nan 8.380 nan 0.000 0.443 154 N N 1.899 120.613 118.700 0.025 0.000 2.439 154 N HA 0.036 4.776 4.740 -0.000 0.000 0.243 154 N C 0.201 175.692 175.510 -0.032 0.000 1.088 154 N CA 0.153 53.233 53.050 0.049 0.000 0.940 154 N CB 0.438 39.006 38.487 0.134 0.000 1.180 154 N HN 0.098 nan 8.380 nan 0.000 0.505 155 Q N 2.811 122.585 119.800 -0.044 0.000 2.320 155 Q HA 0.173 4.513 4.340 -0.000 0.000 0.201 155 Q C 0.745 176.730 176.000 -0.025 0.000 0.910 155 Q CA 0.085 55.844 55.803 -0.073 0.000 0.946 155 Q CB 0.698 29.384 28.738 -0.086 0.000 1.062 155 Q HN 0.617 nan 8.270 nan 0.000 0.503 156 L N 0.241 121.473 121.223 0.015 0.000 2.185 156 L HA 0.106 4.446 4.340 -0.000 0.000 0.202 156 L C 0.334 177.218 176.870 0.022 0.000 1.234 156 L CA 0.540 55.401 54.840 0.036 0.000 1.175 156 L CB 0.002 42.113 42.059 0.086 0.000 1.136 156 L HN 0.222 nan 8.230 nan 0.000 0.643 157 D N -3.073 117.347 120.400 0.032 0.000 2.759 157 D HA 0.107 4.747 4.640 -0.000 0.000 0.321 157 D C -0.059 176.240 176.300 -0.001 0.000 1.267 157 D CA -0.588 53.417 54.000 0.009 0.000 0.933 157 D CB 0.610 41.414 40.800 0.007 0.000 1.431 157 D HN 0.249 nan 8.370 nan 0.000 0.504 158 Q N -0.250 119.536 119.800 -0.023 0.000 2.439 158 Q HA -0.029 4.311 4.340 -0.000 0.000 0.211 158 Q C -0.551 175.399 176.000 -0.084 0.000 0.978 158 Q CA 0.871 56.640 55.803 -0.057 0.000 0.897 158 Q CB -0.607 28.102 28.738 -0.049 0.000 0.956 158 Q HN 0.363 nan 8.270 nan 0.000 0.483 159 N N 2.898 121.570 118.700 -0.047 0.000 2.492 159 N HA 0.152 4.892 4.740 -0.000 0.000 0.260 159 N C -2.549 172.920 175.510 -0.069 0.000 1.215 159 N CA -1.195 51.821 53.050 -0.057 0.000 0.923 159 N CB 0.448 38.921 38.487 -0.022 0.000 1.092 159 N HN 0.237 nan 8.380 nan 0.000 0.448 160 P HA 0.226 nan 4.420 nan 0.000 0.278 160 P C -0.942 176.339 177.300 -0.031 0.000 1.238 160 P CA -0.100 62.883 63.100 -0.195 0.000 0.794 160 P CB 1.058 32.354 31.700 -0.674 0.000 0.955 161 R N 0.931 121.535 120.500 0.173 0.000 2.651 161 R HA 0.588 4.928 4.340 -0.000 0.000 0.278 161 R C -1.355 174.946 176.300 0.003 0.000 1.010 161 R CA -0.984 55.142 56.100 0.042 0.000 0.896 161 R CB 2.439 32.786 30.300 0.078 0.000 1.211 161 R HN 0.206 nan 8.270 nan 0.000 0.456 162 V N 3.514 123.357 119.914 -0.117 0.000 2.443 162 V HA 0.426 4.546 4.120 -0.000 0.000 0.293 162 V C -1.054 174.812 176.094 -0.380 0.000 1.021 162 V CA -0.729 61.469 62.300 -0.170 0.000 0.848 162 V CB 1.331 33.118 31.823 -0.060 0.000 0.998 162 V HN 0.548 nan 8.190 nan 0.000 0.424 163 F N 4.463 124.068 119.950 -0.575 0.000 2.350 163 F HA 0.513 5.040 4.527 -0.000 0.000 0.365 163 F C 0.075 175.529 175.800 -0.577 0.000 1.122 163 F CA -0.648 56.973 58.000 -0.632 0.000 1.139 163 F CB 0.449 38.712 39.000 -1.228 0.000 1.220 163 F HN 0.377 nan 8.300 nan 0.000 0.499 164 Y N 3.305 123.562 120.300 -0.071 0.000 2.304 164 Y HA 0.228 4.778 4.550 -0.000 0.000 0.328 164 Y C 1.080 177.023 175.900 0.072 0.000 1.123 164 Y CA -0.219 57.875 58.100 -0.010 0.000 1.218 164 Y CB 1.082 39.539 38.460 -0.005 0.000 1.207 164 Y HN 0.521 nan 8.280 nan 0.000 0.495 165 L N 2.684 124.049 121.223 0.236 0.000 2.446 165 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 165 L C 0.665 177.642 176.870 0.178 0.000 1.116 165 L CA 0.322 55.294 54.840 0.220 0.000 0.844 165 L CB -0.015 42.154 42.059 0.183 0.000 0.970 165 L HN 0.682 nan 8.230 nan 0.000 0.457 166 A N -1.332 121.598 122.820 0.184 0.000 2.593 166 A HA 0.717 5.037 4.320 -0.000 0.000 0.290 166 A C -0.052 177.574 177.584 0.070 0.000 1.126 166 A CA -0.024 52.079 52.037 0.110 0.000 0.695 166 A CB 0.842 19.877 19.000 0.058 0.000 1.290 166 A HN 0.179 nan 8.150 nan 0.000 0.414 167 G N 0.180 108.991 108.800 0.019 0.000 2.782 167 G HA2 0.130 4.090 3.960 -0.000 0.000 0.228 167 G HA3 0.130 4.090 3.960 -0.000 0.000 0.228 167 G C -0.496 174.372 174.900 -0.054 0.000 1.372 167 G CA 0.140 45.216 45.100 -0.039 0.000 0.862 167 G HN 2.049 nan 8.290 nan 0.000 0.547 168 N N 1.373 120.020 118.700 -0.089 0.000 2.746 168 N HA 0.541 5.281 4.740 -0.000 0.000 0.250 168 N C -1.991 173.439 175.510 -0.134 0.000 1.146 168 N CA -1.259 51.744 53.050 -0.079 0.000 0.828 168 N CB 1.860 40.321 38.487 -0.044 0.000 1.158 168 N HN 0.539 nan 8.380 nan 0.000 0.519 169 P HA 0.306 nan 4.420 nan 0.000 0.276 169 P C -0.876 176.354 177.300 -0.117 0.000 1.252 169 P CA -0.194 62.748 63.100 -0.263 0.000 0.802 169 P CB 1.399 32.780 31.700 -0.531 0.000 1.035 170 D N 0.163 120.513 120.400 -0.083 0.000 2.268 170 D HA 0.332 4.972 4.640 -0.000 0.000 0.249 170 D C 0.313 176.622 176.300 0.015 0.000 1.008 170 D CA -0.490 53.498 54.000 -0.021 0.000 0.939 170 D CB 0.614 41.413 40.800 -0.002 0.000 1.170 170 D HN 0.155 nan 8.370 nan 0.000 0.468 171 I N 1.754 122.340 120.570 0.027 0.000 2.683 171 I HA -0.054 4.116 4.170 -0.000 0.000 0.286 171 I C 1.532 177.677 176.117 0.046 0.000 1.175 171 I CA 0.702 62.019 61.300 0.028 0.000 1.429 171 I CB 0.126 38.114 38.000 -0.019 0.000 1.371 171 I HN 0.435 nan 8.210 nan 0.000 0.569 172 E N 4.111 124.330 120.200 0.031 0.000 2.276 172 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 172 E C -0.308 176.067 176.600 -0.377 0.000 0.983 172 E CA 0.634 56.971 56.400 -0.106 0.000 0.861 172 E CB 0.208 29.824 29.700 -0.139 0.000 0.817 172 E HN 0.625 nan 8.360 nan 0.000 0.485 173 H N 0.402 119.493 119.070 0.035 0.000 2.423 173 H HA 0.116 4.672 4.556 -0.000 0.000 0.237 173 H C -1.882 173.386 175.328 -0.100 0.000 1.391 173 H CA -1.829 54.213 56.048 -0.011 0.000 1.453 173 H CB 0.774 30.554 29.762 0.030 0.000 1.484 173 H HN 0.032 nan 8.280 nan 0.000 0.505 174 P HA -0.246 nan 4.420 nan 0.000 0.218 174 P C 1.351 178.582 177.300 -0.116 0.000 1.148 174 P CA 1.235 64.199 63.100 -0.227 0.000 0.822 174 P CB 0.593 31.994 31.700 -0.499 0.000 0.784 175 E N 0.974 121.127 120.200 -0.079 0.000 2.331 175 E HA -0.162 4.188 4.350 -0.000 0.000 0.199 175 E C 1.371 177.955 176.600 -0.027 0.000 1.008 175 E CA 1.965 58.337 56.400 -0.046 0.000 0.843 175 E CB -1.499 28.184 29.700 -0.029 0.000 0.761 175 E HN 0.356 nan 8.360 nan 0.000 0.507 176 T N -2.039 112.509 114.554 -0.009 0.000 3.088 176 T HA 0.072 4.422 4.350 -0.000 0.000 0.259 176 T C 1.622 176.310 174.700 -0.021 0.000 1.122 176 T CA 0.052 62.147 62.100 -0.009 0.000 1.095 176 T CB -0.044 68.827 68.868 0.005 0.000 0.930 176 T HN -0.063 nan 8.240 nan 0.000 0.508 177 M N 1.042 120.623 119.600 -0.031 0.000 2.686 177 M HA 0.332 4.812 4.480 -0.000 0.000 0.246 177 M C 0.942 177.224 176.300 -0.031 0.000 1.096 177 M CA 0.320 55.599 55.300 -0.034 0.000 1.076 177 M CB -1.188 31.386 32.600 -0.043 0.000 1.504 177 M HN 0.404 nan 8.290 nan 0.000 0.524 201 G N -0.763 108.024 108.800 -0.022 0.000 2.477 201 G HA2 0.697 4.657 3.960 -0.000 0.000 0.304 201 G HA3 0.697 4.657 3.960 -0.000 0.000 0.304 201 G C -0.423 174.464 174.900 -0.022 0.000 1.175 201 G CA 0.154 45.241 45.100 -0.022 0.000 0.907 201 G HN 0.519 nan 8.290 nan 0.000 0.509 202 G N -0.916 107.878 108.800 -0.010 0.000 2.703 202 G HA2 0.594 4.554 3.960 -0.000 0.000 0.294 202 G HA3 0.594 4.554 3.960 -0.000 0.000 0.294 202 G C -0.267 174.659 174.900 0.043 0.000 1.451 202 G CA 0.213 45.316 45.100 0.005 0.000 0.869 202 G HN 1.247 nan 8.290 nan 0.000 0.516 203 S N -0.806 114.938 115.700 0.073 0.000 2.624 203 S HA 0.368 4.838 4.470 -0.000 0.000 0.263 203 S C 1.793 176.485 174.600 0.153 0.000 1.287 203 S CA 0.147 58.431 58.200 0.141 0.000 0.990 203 S CB 1.363 64.651 63.200 0.147 0.000 0.950 203 S HN 1.776 nan 8.310 nan 0.000 0.561 204 V N -0.920 119.124 119.914 0.217 0.000 2.667 204 V HA -0.013 4.107 4.120 -0.000 0.000 0.252 204 V C 1.948 178.253 176.094 0.352 0.000 1.065 204 V CA 0.971 63.433 62.300 0.271 0.000 1.083 204 V CB -1.203 30.848 31.823 0.379 0.000 0.692 204 V HN 0.671 nan 8.190 nan 0.000 0.468 205 L N 2.155 123.583 121.223 0.342 0.000 2.217 205 L HA 0.006 4.346 4.340 -0.000 0.000 0.211 205 L C 2.801 179.871 176.870 0.334 0.000 1.107 205 L CA 2.047 57.133 54.840 0.409 0.000 0.783 205 L CB -0.870 41.372 42.059 0.305 0.000 0.919 205 L HN 0.691 nan 8.230 nan 0.000 0.442 206 S N -1.676 114.144 115.700 0.201 0.000 2.547 206 S HA -0.026 4.444 4.470 -0.000 0.000 0.235 206 S C 1.847 176.491 174.600 0.073 0.000 0.980 206 S CA 0.623 58.899 58.200 0.126 0.000 0.941 206 S CB -0.650 62.596 63.200 0.077 0.000 0.763 206 S HN 0.376 nan 8.310 nan 0.000 0.532 207 G N -0.298 108.522 108.800 0.034 0.000 2.880 207 G HA2 0.327 4.287 3.960 -0.000 0.000 0.209 207 G HA3 0.327 4.287 3.960 -0.000 0.000 0.209 207 G C -0.013 174.677 174.900 -0.351 0.000 1.157 207 G CA -0.256 44.734 45.100 -0.184 0.000 0.779 207 G HN 0.471 nan 8.290 nan 0.000 0.539 208 F N 0.883 120.862 119.950 0.049 0.000 2.507 208 F HA 0.490 5.017 4.527 -0.000 0.000 0.327 208 F C 0.861 176.700 175.800 0.065 0.000 1.068 208 F CA -1.227 56.798 58.000 0.042 0.000 0.965 208 F CB 1.828 40.884 39.000 0.093 0.000 1.192 208 F HN -0.043 nan 8.300 nan 0.000 0.476 209 S N 1.033 116.892 115.700 0.265 0.000 2.580 209 S HA 0.176 4.646 4.470 -0.000 0.000 0.274 209 S C 0.972 175.704 174.600 0.219 0.000 1.329 209 S CA -0.631 57.691 58.200 0.203 0.000 1.036 209 S CB 1.057 64.373 63.200 0.194 0.000 0.919 209 S HN 0.829 nan 8.310 nan 0.000 0.515 210 K N 1.119 121.619 120.400 0.168 0.000 2.152 210 K HA -0.249 4.071 4.320 -0.000 0.000 0.206 210 K C 1.931 178.612 176.600 0.134 0.000 1.048 210 K CA 1.627 57.996 56.287 0.136 0.000 0.933 210 K CB -0.660 31.907 32.500 0.111 0.000 0.721 210 K HN 0.871 nan 8.250 nan 0.000 0.447 211 H N -0.029 119.089 119.070 0.081 0.000 2.321 211 H HA -0.161 4.394 4.556 -0.000 0.000 0.300 211 H C 1.765 177.125 175.328 0.054 0.000 1.087 211 H CA 1.866 57.950 56.048 0.061 0.000 1.319 211 H CB -0.081 29.726 29.762 0.075 0.000 1.379 211 H HN 0.368 nan 8.280 nan 0.000 0.501 212 F N 1.120 120.975 119.950 -0.158 0.000 2.206 212 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 212 F C 2.367 177.971 175.800 -0.327 0.000 1.090 212 F CA 0.733 58.581 58.000 -0.253 0.000 1.323 212 F CB -0.209 38.748 39.000 -0.072 0.000 1.028 212 F HN 0.059 nan 8.300 nan 0.000 0.492 213 L N -0.283 120.825 121.223 -0.191 0.000 2.093 213 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 213 L C 2.802 179.412 176.870 -0.433 0.000 1.085 213 L CA 1.017 55.578 54.840 -0.464 0.000 0.755 213 L CB -1.200 40.772 42.059 -0.145 0.000 0.904 213 L HN 0.225 nan 8.230 nan 0.000 0.435 214 A N -0.182 122.503 122.820 -0.225 0.000 1.883 214 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 214 A C 2.228 179.669 177.584 -0.240 0.000 1.186 214 A CA 1.700 53.649 52.037 -0.146 0.000 0.624 214 A CB -0.455 18.505 19.000 -0.067 0.000 0.822 214 A HN 0.490 nan 8.150 nan 0.000 0.444 215 Q N -0.518 119.037 119.800 -0.409 0.000 2.049 215 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 215 Q C 2.499 178.218 176.000 -0.469 0.000 0.971 215 Q CA 1.541 57.091 55.803 -0.421 0.000 0.833 215 Q CB -0.246 28.176 28.738 -0.526 0.000 0.896 215 Q HN 0.639 nan 8.270 nan 0.000 0.434 216 S N 0.818 116.060 115.700 -0.763 0.000 2.365 216 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 216 S C 1.422 175.809 174.600 -0.354 0.000 1.039 216 S CA 1.313 59.056 58.200 -0.762 0.000 1.033 216 S CB -0.267 62.205 63.200 -1.213 0.000 0.887 216 S HN 0.343 nan 8.310 nan 0.000 0.447 217 F N 1.150 120.964 119.950 -0.227 0.000 2.732 217 F HA 0.265 4.792 4.527 -0.000 0.000 0.303 217 F C 0.912 176.642 175.800 -0.117 0.000 1.110 217 F CA -0.279 57.633 58.000 -0.146 0.000 1.355 217 F CB -0.369 38.562 39.000 -0.115 0.000 1.081 217 F HN 0.116 nan 8.300 nan 0.000 0.565 218 N N 1.695 120.400 118.700 0.007 0.000 2.705 218 N HA -0.220 4.520 4.740 -0.000 0.000 0.255 218 N C -0.473 175.044 175.510 0.011 0.000 1.008 218 N CA 1.050 54.091 53.050 -0.015 0.000 0.742 218 N CB -0.937 37.544 38.487 -0.010 0.000 0.906 218 N HN 0.330 nan 8.380 nan 0.000 0.541 219 T N -0.604 113.960 114.554 0.017 0.000 2.831 219 T HA 0.512 4.862 4.350 -0.000 0.000 0.287 219 T C -0.598 174.111 174.700 0.014 0.000 1.070 219 T CA -0.561 61.556 62.100 0.028 0.000 1.010 219 T CB 0.548 69.456 68.868 0.067 0.000 1.264 219 T HN 0.396 nan 8.240 nan 0.000 0.532 220 N N 1.254 119.966 118.700 0.021 0.000 2.483 220 N HA 0.195 4.935 4.740 -0.000 0.000 0.269 220 N C 0.541 176.071 175.510 0.034 0.000 1.209 220 N CA -0.450 52.614 53.050 0.023 0.000 0.969 220 N CB 0.762 39.261 38.487 0.021 0.000 1.173 220 N HN 0.705 nan 8.380 nan 0.000 0.475 221 E N -0.343 119.882 120.200 0.042 0.000 2.338 221 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 221 E C 0.505 177.136 176.600 0.051 0.000 1.007 221 E CA 0.976 57.409 56.400 0.055 0.000 0.849 221 E CB -0.024 29.719 29.700 0.072 0.000 0.774 221 E HN 0.697 nan 8.360 nan 0.000 0.506 222 D N 0.360 120.783 120.400 0.039 0.000 2.097 222 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 222 D C 1.836 178.158 176.300 0.037 0.000 0.984 222 D CA 1.672 55.692 54.000 0.034 0.000 0.826 222 D CB 0.098 40.912 40.800 0.024 0.000 0.973 222 D HN -0.090 nan 8.370 nan 0.000 0.460 223 T N -0.310 114.267 114.554 0.037 0.000 2.746 223 T HA -0.098 4.251 4.350 -0.000 0.000 0.267 223 T C 1.977 176.717 174.700 0.066 0.000 1.039 223 T CA 1.497 63.621 62.100 0.041 0.000 1.142 223 T CB -0.598 68.292 68.868 0.036 0.000 0.866 223 T HN 0.293 nan 8.240 nan 0.000 0.444 224 A N 1.380 124.247 122.820 0.079 0.000 1.933 224 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 224 A C 2.188 179.832 177.584 0.100 0.000 1.175 224 A CA 2.054 54.154 52.037 0.105 0.000 0.628 224 A CB -0.582 18.463 19.000 0.076 0.000 0.814 224 A HN 0.505 nan 8.150 nan 0.000 0.444 225 E N 0.347 120.594 120.200 0.078 0.000 2.072 225 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 225 E C 1.895 178.535 176.600 0.066 0.000 0.985 225 E CA 1.707 58.151 56.400 0.072 0.000 0.801 225 E CB -0.226 29.507 29.700 0.056 0.000 0.750 225 E HN 0.591 nan 8.360 nan 0.000 0.452 226 K N -0.070 120.363 120.400 0.056 0.000 2.211 226 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 226 K C 2.016 178.649 176.600 0.055 0.000 1.050 226 K CA 0.947 57.261 56.287 0.044 0.000 0.945 226 K CB -0.122 32.395 32.500 0.028 0.000 0.732 226 K HN 0.249 nan 8.250 nan 0.000 0.451 227 L N 0.467 121.739 121.223 0.081 0.000 2.362 227 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 227 L C 1.841 178.785 176.870 0.124 0.000 1.134 227 L CA 0.965 55.869 54.840 0.107 0.000 0.807 227 L CB -0.175 41.986 42.059 0.170 0.000 0.927 227 L HN 0.131 nan 8.230 nan 0.000 0.447 228 R N -0.874 119.694 120.500 0.112 0.000 2.317 228 R HA 0.123 4.463 4.340 -0.000 0.000 0.208 228 R C 0.604 176.949 176.300 0.075 0.000 0.914 228 R CA 0.127 56.294 56.100 0.112 0.000 1.060 228 R CB 0.249 30.615 30.300 0.111 0.000 1.015 228 R HN 0.090 nan 8.270 nan 0.000 0.498 229 S N 1.166 116.900 115.700 0.057 0.000 3.550 229 S HA -0.090 4.380 4.470 -0.000 0.000 0.372 229 S C -1.382 173.233 174.600 0.025 0.000 0.966 229 S CA 0.571 58.791 58.200 0.033 0.000 1.229 229 S CB -0.593 62.622 63.200 0.024 0.000 0.917 229 S HN 0.409 nan 8.310 nan 0.000 0.496 230 P HA -0.070 nan 4.420 nan 0.000 0.217 230 P C 0.520 177.827 177.300 0.012 0.000 1.150 230 P CA 1.190 64.304 63.100 0.023 0.000 0.832 230 P CB 0.086 31.803 31.700 0.029 0.000 0.787 231 D N -1.148 119.257 120.400 0.010 0.000 2.431 231 D HA 0.035 4.675 4.640 -0.000 0.000 0.213 231 D C 0.245 176.544 176.300 -0.002 0.000 1.130 231 D CA -0.071 53.931 54.000 0.004 0.000 0.834 231 D CB 0.087 40.890 40.800 0.005 0.000 0.985 231 D HN 0.130 nan 8.370 nan 0.000 0.504 232 D N 1.797 122.195 120.400 -0.003 0.000 2.401 232 D HA -0.010 4.630 4.640 -0.000 0.000 0.254 232 D C 0.632 176.922 176.300 -0.018 0.000 1.192 232 D CA 0.465 54.459 54.000 -0.011 0.000 0.885 232 D CB 0.907 41.699 40.800 -0.013 0.000 1.147 232 D HN -0.099 nan 8.370 nan 0.000 0.478 233 E N 3.265 123.454 120.200 -0.018 0.000 2.660 233 E HA 0.090 4.440 4.350 -0.000 0.000 0.216 233 E C 1.168 177.752 176.600 -0.027 0.000 0.986 233 E CA -0.071 56.316 56.400 -0.022 0.000 1.037 233 E CB 0.404 30.095 29.700 -0.016 0.000 1.041 233 E HN 0.491 nan 8.360 nan 0.000 0.480 234 R N 1.006 121.489 120.500 -0.028 0.000 2.193 234 R HA 0.068 4.408 4.340 -0.000 0.000 0.213 234 R C 0.238 176.511 176.300 -0.044 0.000 1.055 234 R CA 0.500 56.583 56.100 -0.028 0.000 0.995 234 R CB -0.008 30.281 30.300 -0.018 0.000 0.893 234 R HN -0.006 nan 8.270 nan 0.000 0.459 235 K N -0.863 119.497 120.400 -0.066 0.000 1.410 235 K HA -0.203 4.117 4.320 -0.000 0.000 0.826 235 K C 0.792 177.308 176.600 -0.139 0.000 2.096 235 K CA 0.869 57.093 56.287 -0.105 0.000 1.397 235 K CB -0.723 31.725 32.500 -0.087 0.000 2.634 235 K HN 0.175 nan 8.250 nan 0.000 0.232 236 Q N 0.827 120.496 119.800 -0.219 0.000 2.364 236 Q HA -0.073 4.267 4.340 -0.000 0.000 0.209 236 Q C 0.683 176.689 176.000 0.010 0.000 0.977 236 Q CA 1.618 57.269 55.803 -0.254 0.000 0.885 236 Q CB -0.096 28.381 28.738 -0.434 0.000 0.941 236 Q HN 0.489 nan 8.270 nan 0.000 0.464 237 I N 2.271 122.835 120.570 -0.009 0.000 2.439 237 I HA 0.267 4.437 4.170 -0.000 0.000 0.285 237 I C -0.343 175.793 176.117 0.031 0.000 1.021 237 I CA -1.187 60.136 61.300 0.039 0.000 1.091 237 I CB 2.015 40.001 38.000 -0.023 0.000 1.242 237 I HN -0.091 nan 8.210 nan 0.000 0.439 238 V N 1.952 121.904 119.914 0.063 0.000 2.994 238 V HA 0.650 4.770 4.120 -0.000 0.000 0.318 238 V C 0.014 176.154 176.094 0.077 0.000 1.085 238 V CA -0.366 61.964 62.300 0.049 0.000 0.998 238 V CB 1.815 33.660 31.823 0.037 0.000 1.063 238 V HN 0.628 nan 8.190 nan 0.000 0.447 239 T N 2.258 116.848 114.554 0.061 0.000 2.767 239 T HA 0.517 4.866 4.350 -0.000 0.000 0.284 239 T C -0.237 174.515 174.700 0.087 0.000 0.973 239 T CA -0.208 61.939 62.100 0.078 0.000 0.996 239 T CB 1.167 70.065 68.868 0.050 0.000 0.927 239 T HN 0.687 nan 8.240 nan 0.000 0.456 240 V N 4.327 124.325 119.914 0.140 0.000 2.339 240 V HA 0.194 4.314 4.120 -0.000 0.000 0.261 240 V C 0.761 176.916 176.094 0.101 0.000 1.058 240 V CA -0.617 61.751 62.300 0.115 0.000 0.897 240 V CB 0.363 32.274 31.823 0.146 0.000 1.052 240 V HN 0.841 nan 8.190 nan 0.000 0.480 241 E N 3.611 123.847 120.200 0.060 0.000 2.366 241 E HA 0.358 4.708 4.350 -0.000 0.000 0.266 241 E C 1.274 177.905 176.600 0.051 0.000 1.015 241 E CA 0.896 57.326 56.400 0.050 0.000 0.906 241 E CB 0.526 30.245 29.700 0.031 0.000 0.979 241 E HN 0.970 nan 8.360 nan 0.000 0.443 242 G N 2.895 111.731 108.800 0.060 0.000 2.175 242 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 242 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 242 G C 0.524 175.476 174.900 0.088 0.000 0.982 242 G CA -0.062 45.074 45.100 0.060 0.000 0.641 242 G HN 1.381 nan 8.290 nan 0.000 0.527 243 G N -1.443 107.431 108.800 0.124 0.000 2.716 243 G HA2 0.231 4.191 3.960 -0.000 0.000 0.686 243 G HA3 0.231 4.191 3.960 -0.000 0.000 0.686 243 G C -0.393 174.585 174.900 0.129 0.000 1.337 243 G CA 0.048 45.267 45.100 0.199 0.000 0.829 243 G HN 1.689 nan 8.290 nan 0.000 0.599 244 L N 0.756 122.019 121.223 0.067 0.000 2.343 244 L HA 0.823 5.163 4.340 -0.000 0.000 0.275 244 L C 0.461 177.414 176.870 0.139 0.000 1.056 244 L CA -0.157 54.592 54.840 -0.152 0.000 0.804 244 L CB 1.949 43.533 42.059 -0.791 0.000 1.203 244 L HN 0.777 nan 8.230 nan 0.000 0.440 245 S N 3.718 119.405 115.700 -0.022 0.000 2.561 245 S HA 0.775 5.244 4.470 -0.000 0.000 0.303 245 S C -0.900 173.493 174.600 -0.345 0.000 1.110 245 S CA -0.524 57.631 58.200 -0.075 0.000 1.034 245 S CB 1.525 64.718 63.200 -0.010 0.000 1.010 245 S HN 0.686 nan 8.310 nan 0.000 0.482 246 V N 0.526 120.018 119.914 -0.703 0.000 3.130 246 V HA 0.679 4.799 4.120 -0.000 0.000 0.310 246 V C -0.689 175.204 176.094 -0.334 0.000 1.158 246 V CA -1.317 60.669 62.300 -0.524 0.000 1.029 246 V CB 1.238 32.633 31.823 -0.714 0.000 1.057 246 V HN 0.789 nan 8.190 nan 0.000 0.436 247 I N 2.713 123.383 120.570 0.166 0.000 2.533 247 I HA 0.555 4.725 4.170 -0.000 0.000 0.284 247 I C 0.450 176.730 176.117 0.271 0.000 1.109 247 I CA 0.814 62.205 61.300 0.152 0.000 1.412 247 I CB 0.935 38.988 38.000 0.089 0.000 1.396 247 I HN 0.865 nan 8.210 nan 0.000 0.543 248 S N 6.251 122.039 115.700 0.146 0.000 2.579 248 S HA 0.344 4.814 4.470 -0.000 0.000 0.290 248 S C -2.139 172.582 174.600 0.202 0.000 1.123 248 S CA -0.815 57.570 58.200 0.309 0.000 0.894 248 S CB 1.520 64.997 63.200 0.462 0.000 1.095 248 S HN 0.367 nan 8.310 nan 0.000 0.450 249 P HA 0.028 nan 4.420 nan 0.000 0.220 249 P C -0.405 176.975 177.300 0.132 0.000 1.148 249 P CA 0.937 64.087 63.100 0.083 0.000 0.803 249 P CB 0.176 31.904 31.700 0.046 0.000 0.782 250 K N -0.726 119.802 120.400 0.213 0.000 2.426 250 K HA 0.332 4.652 4.320 -0.000 0.000 0.254 250 K C -1.675 175.148 176.600 0.371 0.000 0.936 250 K CA -0.748 55.618 56.287 0.132 0.000 0.801 250 K CB 1.501 33.930 32.500 -0.117 0.000 1.139 250 K HN -0.008 nan 8.250 nan 0.000 0.424 322 V N -0.360 119.544 119.914 -0.017 0.000 2.720 322 V HA -0.002 4.118 4.120 -0.000 0.000 0.256 322 V C 2.179 178.249 176.094 -0.040 0.000 1.082 322 V CA 2.883 65.168 62.300 -0.026 0.000 1.101 322 V CB -0.957 30.855 31.823 -0.018 0.000 0.693 322 V HN 0.599 nan 8.190 nan 0.000 0.479 323 E N 1.164 121.347 120.200 -0.028 0.000 2.150 323 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 323 E C 2.096 178.673 176.600 -0.037 0.000 0.985 323 E CA 1.586 57.967 56.400 -0.031 0.000 0.814 323 E CB -0.381 29.316 29.700 -0.005 0.000 0.752 323 E HN 0.787 nan 8.360 nan 0.000 0.466 324 E N 0.404 120.587 120.200 -0.029 0.000 2.285 324 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 324 E C 1.218 177.793 176.600 -0.041 0.000 0.997 324 E CA 0.866 57.251 56.400 -0.025 0.000 0.845 324 E CB 0.040 29.730 29.700 -0.016 0.000 0.782 324 E HN 0.377 nan 8.360 nan 0.000 0.491 325 N N 0.484 119.151 118.700 -0.056 0.000 2.599 325 N HA -0.038 4.702 4.740 -0.000 0.000 0.147 325 N C 1.809 177.254 175.510 -0.109 0.000 1.447 325 N CA -0.247 52.763 53.050 -0.068 0.000 1.107 325 N CB -0.518 37.938 38.487 -0.050 0.000 1.169 325 N HN -0.033 nan 8.380 nan 0.000 0.388 326 I N 2.110 122.621 120.570 -0.098 0.000 2.121 326 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 326 I C 1.920 177.885 176.117 -0.252 0.000 1.047 326 I CA 1.410 62.637 61.300 -0.122 0.000 1.308 326 I CB -0.684 37.280 38.000 -0.060 0.000 1.015 326 I HN 0.500 nan 8.210 nan 0.000 0.410 327 c N 0.716 119.179 118.600 -0.229 0.000 2.443 327 c HA -0.020 4.550 4.570 -0.000 0.000 0.290 327 c C 1.862 175.656 174.090 -0.494 0.000 1.476 327 c CA 1.308 57.428 56.329 -0.349 0.000 1.772 327 c CB -2.348 40.070 42.510 -0.154 0.000 1.714 327 c HN 0.777 nan 8.230 nan 0.000 0.562 328 T N -3.688 110.642 114.554 -0.374 0.000 3.339 328 T HA 0.247 4.597 4.350 -0.000 0.000 0.292 328 T C 0.142 174.677 174.700 -0.276 0.000 1.012 328 T CA -0.244 61.675 62.100 -0.302 0.000 0.937 328 T CB -0.290 68.497 68.868 -0.134 0.000 1.164 328 T HN 0.419 nan 8.240 nan 0.000 0.509 329 M N 2.904 122.276 119.600 -0.380 0.000 2.301 329 M HA 0.003 4.483 4.480 -0.000 0.000 0.404 329 M C 0.378 176.596 176.300 -0.136 0.000 1.497 329 M CA 0.469 55.639 55.300 -0.218 0.000 0.867 329 M CB 0.340 32.830 32.600 -0.183 0.000 2.037 329 M HN 0.226 nan 8.290 nan 0.000 0.496 330 K N 5.814 126.185 120.400 -0.050 0.000 2.412 330 K HA 0.116 4.436 4.320 -0.000 0.000 0.284 330 K C -0.463 176.167 176.600 0.049 0.000 1.046 330 K CA 0.093 56.391 56.287 0.019 0.000 0.999 330 K CB 0.307 32.828 32.500 0.036 0.000 0.941 330 K HN 0.853 nan 8.250 nan 0.000 0.474 331 L N 5.229 126.506 121.223 0.089 0.000 3.289 331 L HA 0.215 4.555 4.340 -0.000 0.000 0.291 331 L C -0.561 176.455 176.870 0.242 0.000 1.279 331 L CA -0.549 54.357 54.840 0.110 0.000 1.025 331 L CB 0.076 42.094 42.059 -0.069 0.000 1.413 331 L HN 0.756 nan 8.230 nan 0.000 0.593 332 H N -1.830 117.297 119.070 0.094 0.000 3.079 332 H HA 0.695 5.251 4.556 -0.000 0.000 0.356 332 H C -1.439 173.940 175.328 0.086 0.000 1.221 332 H CA -0.674 55.437 56.048 0.104 0.000 1.185 332 H CB 2.027 31.878 29.762 0.147 0.000 1.882 332 H HN -0.055 nan 8.280 nan 0.000 0.543 333 E N 2.115 122.096 120.200 -0.366 0.000 2.363 333 E HA 0.228 4.578 4.350 -0.000 0.000 0.281 333 E C -1.585 174.873 176.600 -0.237 0.000 0.953 333 E CA -0.801 55.385 56.400 -0.356 0.000 0.778 333 E CB 1.778 31.399 29.700 -0.132 0.000 1.220 333 E HN 0.713 nan 8.360 nan 0.000 0.431 334 N N 3.121 121.700 118.700 -0.201 0.000 2.530 334 N HA 0.227 4.967 4.740 -0.000 0.000 0.273 334 N C 0.154 175.602 175.510 -0.103 0.000 1.173 334 N CA 0.325 53.307 53.050 -0.113 0.000 0.967 334 N CB 0.641 39.080 38.487 -0.079 0.000 1.109 334 N HN 0.672 nan 8.380 nan 0.000 0.453 335 I N 2.130 122.624 120.570 -0.127 0.000 4.433 335 I HA 0.287 4.457 4.170 -0.000 0.000 0.322 335 I C 1.171 177.160 176.117 -0.213 0.000 1.284 335 I CA 0.107 61.334 61.300 -0.123 0.000 1.269 335 I CB 0.146 38.095 38.000 -0.084 0.000 1.219 335 I HN 0.657 nan 8.210 nan 0.000 0.436 336 A N 0.842 123.422 122.820 -0.400 0.000 2.132 336 A HA 0.184 4.504 4.320 -0.000 0.000 0.213 336 A C 1.156 178.594 177.584 -0.244 0.000 1.154 336 A CA -0.065 51.595 52.037 -0.628 0.000 0.753 336 A CB -0.209 18.158 19.000 -1.056 0.000 0.826 336 A HN 0.250 nan 8.150 nan 0.000 0.469 337 R N 0.375 120.786 120.500 -0.148 0.000 2.537 337 R HA 0.052 4.392 4.340 -0.000 0.000 0.281 337 R C -1.708 174.559 176.300 -0.055 0.000 0.988 337 R CA -0.945 55.108 56.100 -0.078 0.000 1.077 337 R CB 0.184 30.448 30.300 -0.061 0.000 0.932 337 R HN 0.151 nan 8.270 nan 0.000 0.409 338 P HA -0.253 nan 4.420 nan 0.000 0.216 338 P C 1.168 178.404 177.300 -0.107 0.000 1.154 338 P CA 1.694 64.762 63.100 -0.054 0.000 0.865 338 P CB 0.133 31.807 31.700 -0.043 0.000 0.789 339 S N -1.134 114.511 115.700 -0.093 0.000 2.500 339 S HA -0.094 4.376 4.470 -0.000 0.000 0.239 339 S C 1.699 176.249 174.600 -0.084 0.000 0.989 339 S CA 0.703 58.844 58.200 -0.099 0.000 0.951 339 S CB -0.806 62.352 63.200 -0.071 0.000 0.759 339 S HN 0.137 nan 8.310 nan 0.000 0.523 340 R N 1.179 121.638 120.500 -0.068 0.000 2.334 340 R HA 0.411 4.751 4.340 -0.000 0.000 0.220 340 R C 0.654 176.930 176.300 -0.040 0.000 0.917 340 R CA 0.265 56.335 56.100 -0.051 0.000 1.073 340 R CB -0.077 30.196 30.300 -0.045 0.000 1.056 340 R HN 0.487 nan 8.270 nan 0.000 0.506 341 A N 1.119 123.905 122.820 -0.055 0.000 2.540 341 A HA -0.050 4.270 4.320 -0.000 0.000 0.239 341 A C 0.193 177.768 177.584 -0.014 0.000 1.061 341 A CA 0.143 52.165 52.037 -0.026 0.000 0.758 341 A CB 0.247 19.208 19.000 -0.066 0.000 0.991 341 A HN 0.146 nan 8.150 nan 0.000 0.502 342 D N 0.447 120.868 120.400 0.036 0.000 2.380 342 D HA 0.185 4.825 4.640 -0.000 0.000 0.212 342 D C -0.554 175.631 176.300 -0.191 0.000 1.021 342 D CA 1.102 55.074 54.000 -0.048 0.000 0.884 342 D CB 0.179 40.994 40.800 0.024 0.000 1.001 342 D HN 0.474 nan 8.370 nan 0.000 0.506 343 F N 0.000 119.910 119.950 -0.067 0.000 2.540 343 F HA 0.445 4.972 4.527 -0.000 0.000 0.317 343 F C -0.693 175.114 175.800 0.011 0.000 1.104 343 F CA -1.186 56.764 58.000 -0.084 0.000 0.913 343 F CB 1.928 40.799 39.000 -0.216 0.000 1.170 343 F HN -0.283 nan 8.300 nan 0.000 0.450 344 Y N 2.935 123.251 120.300 0.026 0.000 2.436 344 Y HA 0.407 4.957 4.550 -0.000 0.000 0.327 344 Y C -1.695 174.204 175.900 -0.003 0.000 1.138 344 Y CA -0.834 57.262 58.100 -0.007 0.000 1.042 344 Y CB 1.460 39.921 38.460 0.001 0.000 1.302 344 Y HN 0.612 nan 8.280 nan 0.000 0.439 345 N N 8.233 126.556 118.700 -0.628 0.000 2.549 345 N HA 0.285 5.025 4.740 -0.000 0.000 0.281 345 N C -2.404 172.700 175.510 -0.677 0.000 1.084 345 N CA -2.270 50.452 53.050 -0.547 0.000 0.862 345 N CB 2.451 40.789 38.487 -0.247 0.000 1.333 345 N HN 0.435 nan 8.380 nan 0.000 0.523 346 P HA -0.169 nan 4.420 nan 0.000 0.219 346 P C 0.154 177.441 177.300 -0.022 0.000 1.144 346 P CA 1.422 64.313 63.100 -0.348 0.000 0.806 346 P CB 0.465 32.062 31.700 -0.171 0.000 0.771 347 K N -1.659 118.722 120.400 -0.032 0.000 2.358 347 K HA 0.374 4.694 4.320 -0.000 0.000 0.197 347 K C 1.604 178.287 176.600 0.139 0.000 1.025 347 K CA 0.349 56.668 56.287 0.053 0.000 1.104 347 K CB 0.610 33.109 32.500 -0.002 0.000 0.855 347 K HN 0.059 nan 8.250 nan 0.000 0.531 348 A N 0.706 123.599 122.820 0.121 0.000 1.933 348 A HA 0.556 4.876 4.320 -0.000 0.000 0.198 348 A C 0.811 178.263 177.584 -0.220 0.000 1.617 348 A CA 0.716 52.758 52.037 0.010 0.000 1.039 348 A CB 0.771 19.723 19.000 -0.079 0.000 1.066 348 A HN 0.293 nan 8.150 nan 0.000 0.484 349 G N -0.544 108.030 108.800 -0.378 0.000 2.356 349 G HA2 0.462 4.422 3.960 -0.000 0.000 0.266 349 G HA3 0.462 4.422 3.960 -0.000 0.000 0.266 349 G C -1.382 173.351 174.900 -0.279 0.000 1.312 349 G CA -0.234 44.402 45.100 -0.773 0.000 0.922 349 G HN 1.042 nan 8.290 nan 0.000 0.480 350 R N -1.235 119.112 120.500 -0.256 0.000 2.680 350 R HA 0.805 5.145 4.340 -0.000 0.000 0.269 350 R C -1.628 174.560 176.300 -0.186 0.000 1.026 350 R CA -1.039 55.026 56.100 -0.059 0.000 0.889 350 R CB 1.616 31.974 30.300 0.097 0.000 1.241 350 R HN 0.582 nan 8.270 nan 0.000 0.463 351 I N 1.170 121.673 120.570 -0.112 0.000 2.533 351 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 351 I C -0.803 175.331 176.117 0.029 0.000 1.056 351 I CA -0.784 60.417 61.300 -0.165 0.000 1.057 351 I CB 2.619 40.370 38.000 -0.416 0.000 1.240 351 I HN 0.639 nan 8.210 nan 0.000 0.423 352 S N 3.038 118.747 115.700 0.015 0.000 2.500 352 S HA 0.620 5.090 4.470 -0.000 0.000 0.301 352 S C -0.483 174.151 174.600 0.056 0.000 1.092 352 S CA -0.635 57.601 58.200 0.060 0.000 1.030 352 S CB 2.059 65.293 63.200 0.055 0.000 1.031 352 S HN 0.549 nan 8.310 nan 0.000 0.483 353 T N 3.044 117.640 114.554 0.070 0.000 2.823 353 T HA 0.576 4.926 4.350 -0.000 0.000 0.279 353 T C -1.105 173.623 174.700 0.047 0.000 0.998 353 T CA -0.479 61.658 62.100 0.063 0.000 0.994 353 T CB 1.086 70.008 68.868 0.091 0.000 0.960 353 T HN 0.369 nan 8.240 nan 0.000 0.448 354 L N 4.846 126.098 121.223 0.048 0.000 2.372 354 L HA 0.653 4.993 4.340 -0.000 0.000 0.273 354 L C -0.749 176.163 176.870 0.070 0.000 0.989 354 L CA -0.391 54.477 54.840 0.048 0.000 0.841 354 L CB 0.538 42.622 42.059 0.041 0.000 1.225 354 L HN 0.808 nan 8.230 nan 0.000 0.414 355 N N 1.047 119.791 118.700 0.072 0.000 3.387 355 N HA 0.389 5.129 4.740 -0.000 0.000 0.322 355 N C 0.446 176.017 175.510 0.101 0.000 1.588 355 N CA -0.171 52.937 53.050 0.097 0.000 0.778 355 N CB 0.224 38.765 38.487 0.090 0.000 1.883 355 N HN 0.236 nan 8.380 nan 0.000 0.628 356 S N -0.966 114.822 115.700 0.147 0.000 2.474 356 S HA -0.008 4.462 4.470 -0.000 0.000 0.235 356 S C 1.350 175.994 174.600 0.073 0.000 0.997 356 S CA 0.449 58.721 58.200 0.121 0.000 0.949 356 S CB -0.782 62.543 63.200 0.208 0.000 0.766 356 S HN 0.487 nan 8.310 nan 0.000 0.517 357 L N 0.603 121.871 121.223 0.075 0.000 2.492 357 L HA 0.069 4.409 4.340 -0.000 0.000 0.223 357 L C 2.206 179.092 176.870 0.026 0.000 1.132 357 L CA 0.893 55.760 54.840 0.045 0.000 0.850 357 L CB -0.583 41.502 42.059 0.043 0.000 0.966 357 L HN 0.378 nan 8.230 nan 0.000 0.454 358 T N -0.903 113.669 114.554 0.030 0.000 3.056 358 T HA 0.164 4.514 4.350 -0.000 0.000 0.241 358 T C 0.290 174.999 174.700 0.015 0.000 1.006 358 T CA 0.161 62.271 62.100 0.017 0.000 1.115 358 T CB 0.454 69.331 68.868 0.015 0.000 0.939 358 T HN -0.116 nan 8.240 nan 0.000 0.462 359 L N 4.278 125.517 121.223 0.027 0.000 2.384 359 L HA 0.418 4.758 4.340 -0.000 0.000 0.261 359 L C -1.872 175.006 176.870 0.013 0.000 1.024 359 L CA -2.489 52.368 54.840 0.028 0.000 0.899 359 L CB 1.527 43.617 42.059 0.052 0.000 1.243 359 L HN -0.162 nan 8.230 nan 0.000 0.449 360 P HA -0.243 nan 4.420 nan 0.000 0.218 360 P C 1.197 178.420 177.300 -0.128 0.000 1.146 360 P CA 1.550 64.615 63.100 -0.059 0.000 0.813 360 P CB 0.315 31.981 31.700 -0.057 0.000 0.778 361 A N 0.048 122.800 122.820 -0.112 0.000 2.019 361 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 361 A C 2.369 179.659 177.584 -0.490 0.000 1.164 361 A CA 1.072 52.957 52.037 -0.252 0.000 0.644 361 A CB -1.542 17.468 19.000 0.017 0.000 0.805 361 A HN 0.172 nan 8.150 nan 0.000 0.449 362 L N -1.237 119.902 121.223 -0.140 0.000 2.265 362 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 362 L C 2.644 179.427 176.870 -0.144 0.000 1.117 362 L CA 1.352 56.180 54.840 -0.020 0.000 0.782 362 L CB -0.437 41.693 42.059 0.119 0.000 0.914 362 L HN 0.454 nan 8.230 nan 0.000 0.441 363 R N -0.128 120.211 120.500 -0.269 0.000 2.091 363 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 363 R C 2.207 178.247 176.300 -0.432 0.000 1.136 363 R CA 1.337 57.168 56.100 -0.449 0.000 0.959 363 R CB 0.067 30.103 30.300 -0.439 0.000 0.856 363 R HN 0.311 nan 8.270 nan 0.000 0.437 364 Q N -0.908 118.583 119.800 -0.516 0.000 2.389 364 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 364 Q C 1.060 176.942 176.000 -0.196 0.000 0.944 364 Q CA 0.797 56.352 55.803 -0.414 0.000 0.908 364 Q CB 0.353 28.801 28.738 -0.483 0.000 1.002 364 Q HN 0.347 nan 8.270 nan 0.000 0.493 365 F N -0.473 119.476 119.950 -0.001 0.000 2.749 365 F HA 0.331 4.858 4.527 -0.000 0.000 0.300 365 F C 1.438 177.264 175.800 0.043 0.000 1.103 365 F CA -0.099 57.919 58.000 0.030 0.000 1.342 365 F CB -0.340 38.679 39.000 0.032 0.000 1.098 365 F HN 0.063 nan 8.300 nan 0.000 0.586 366 G N 1.654 110.547 108.800 0.156 0.000 2.305 366 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 366 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 366 G C -0.285 174.697 174.900 0.136 0.000 1.036 366 G CA 0.257 45.418 45.100 0.102 0.000 0.887 366 G HN 0.351 nan 8.290 nan 0.000 0.505 367 L N -0.380 120.955 121.223 0.187 0.000 2.409 367 L HA 0.825 5.165 4.340 -0.000 0.000 0.262 367 L C 0.298 177.283 176.870 0.191 0.000 0.992 367 L CA -0.331 54.621 54.840 0.187 0.000 0.817 367 L CB 2.526 44.700 42.059 0.191 0.000 1.350 367 L HN 0.513 nan 8.230 nan 0.000 0.411 368 S N 0.848 116.658 115.700 0.183 0.000 2.688 368 S HA 1.003 5.473 4.470 -0.000 0.000 0.275 368 S C -1.093 173.600 174.600 0.155 0.000 1.175 368 S CA -0.342 57.952 58.200 0.158 0.000 0.818 368 S CB 2.394 65.672 63.200 0.130 0.000 1.157 368 S HN 0.985 nan 8.310 nan 0.000 0.482 369 A N -0.056 122.826 122.820 0.103 0.000 2.586 369 A HA 0.819 5.139 4.320 -0.000 0.000 0.290 369 A C -1.891 175.704 177.584 0.019 0.000 1.086 369 A CA -0.783 51.281 52.037 0.046 0.000 0.665 369 A CB 1.366 20.369 19.000 0.005 0.000 1.279 369 A HN 0.795 nan 8.150 nan 0.000 0.423 370 Q N -0.701 119.086 119.800 -0.022 0.000 2.421 370 Q HA 0.521 4.861 4.340 -0.000 0.000 0.280 370 Q C -2.128 173.845 176.000 -0.044 0.000 1.085 370 Q CA -0.527 55.266 55.803 -0.018 0.000 0.807 370 Q CB 3.023 31.746 28.738 -0.025 0.000 1.405 370 Q HN 0.699 nan 8.270 nan 0.000 0.419 371 Y N 0.997 121.193 120.300 -0.174 0.000 2.331 371 Y HA 0.537 5.087 4.550 -0.000 0.000 0.334 371 Y C -1.305 174.410 175.900 -0.309 0.000 0.960 371 Y CA -0.679 57.282 58.100 -0.230 0.000 1.130 371 Y CB 1.205 39.574 38.460 -0.151 0.000 1.164 371 Y HN 0.370 nan 8.280 nan 0.000 0.458 372 V N 6.785 126.109 119.914 -0.983 0.000 2.495 372 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 372 V C -0.970 174.629 176.094 -0.826 0.000 1.031 372 V CA -0.891 60.891 62.300 -0.862 0.000 0.871 372 V CB 1.683 32.860 31.823 -1.076 0.000 0.988 372 V HN 0.538 nan 8.190 nan 0.000 0.432 373 V N 6.282 125.904 119.914 -0.488 0.000 2.443 373 V HA 0.497 4.617 4.120 -0.000 0.000 0.293 373 V C -0.457 175.379 176.094 -0.430 0.000 1.021 373 V CA -0.383 61.701 62.300 -0.360 0.000 0.848 373 V CB 1.643 33.355 31.823 -0.184 0.000 0.998 373 V HN 0.640 nan 8.190 nan 0.000 0.424 374 L N 5.297 126.338 121.223 -0.304 0.000 2.313 374 L HA 0.604 4.944 4.340 -0.000 0.000 0.283 374 L C -0.664 176.100 176.870 -0.177 0.000 1.013 374 L CA -0.665 54.003 54.840 -0.287 0.000 0.816 374 L CB 1.544 43.555 42.059 -0.080 0.000 1.236 374 L HN 0.495 nan 8.230 nan 0.000 0.419 375 Y N 1.030 121.337 120.300 0.011 0.000 2.289 375 Y HA 0.278 4.828 4.550 -0.000 0.000 0.332 375 Y C 0.807 176.718 175.900 0.019 0.000 1.324 375 Y CA -1.139 56.972 58.100 0.018 0.000 1.478 375 Y CB 0.262 38.731 38.460 0.015 0.000 1.378 375 Y HN 0.467 nan 8.280 nan 0.000 0.558 376 R N 2.075 122.697 120.500 0.204 0.000 2.486 376 R HA -0.185 4.155 4.340 -0.000 0.000 0.304 376 R C 0.055 176.411 176.300 0.094 0.000 0.913 376 R CA 0.883 57.051 56.100 0.113 0.000 1.124 376 R CB -0.489 29.860 30.300 0.082 0.000 0.891 376 R HN 0.864 nan 8.270 nan 0.000 0.410 377 N N 0.923 119.665 118.700 0.070 0.000 2.900 377 N HA -0.156 4.584 4.740 -0.000 0.000 0.240 377 N C 0.047 175.589 175.510 0.054 0.000 0.953 377 N CA 1.479 54.562 53.050 0.056 0.000 0.950 377 N CB -1.271 37.245 38.487 0.048 0.000 1.102 377 N HN 0.782 nan 8.380 nan 0.000 0.593 378 G N 0.680 109.515 108.800 0.058 0.000 2.398 378 G HA2 0.450 4.410 3.960 -0.000 0.000 0.246 378 G HA3 0.450 4.410 3.960 -0.000 0.000 0.246 378 G C 0.223 175.137 174.900 0.023 0.000 1.289 378 G CA -0.113 45.002 45.100 0.026 0.000 0.869 378 G HN 0.290 nan 8.290 nan 0.000 0.543 379 I N 1.396 121.978 120.570 0.020 0.000 2.474 379 I HA 0.179 4.349 4.170 -0.000 0.000 0.294 379 I C -1.079 175.084 176.117 0.078 0.000 1.005 379 I CA -0.972 60.364 61.300 0.060 0.000 1.113 379 I CB 2.240 40.278 38.000 0.064 0.000 1.289 379 I HN 0.408 nan 8.210 nan 0.000 0.436 380 Y N 6.550 126.834 120.300 -0.026 0.000 2.717 380 Y HA 0.303 4.853 4.550 -0.000 0.000 0.329 380 Y C 0.514 176.434 175.900 0.034 0.000 1.017 380 Y CA -1.717 56.339 58.100 -0.073 0.000 1.275 380 Y CB 0.344 38.772 38.460 -0.053 0.000 1.109 380 Y HN 0.659 nan 8.280 nan 0.000 0.511 381 S N 5.455 121.334 115.700 0.298 0.000 2.560 381 S HA 0.127 4.597 4.470 -0.000 0.000 0.276 381 S C -2.697 172.082 174.600 0.298 0.000 1.350 381 S CA -1.092 57.248 58.200 0.235 0.000 1.024 381 S CB 0.056 63.370 63.200 0.189 0.000 0.864 381 S HN 0.525 nan 8.310 nan 0.000 0.536 382 P HA 0.046 nan 4.420 nan 0.000 0.257 382 P C -0.166 177.275 177.300 0.235 0.000 1.162 382 P CA 0.891 64.076 63.100 0.141 0.000 0.762 382 P CB -0.102 31.658 31.700 0.100 0.000 0.753 383 H N 1.801 120.900 119.070 0.050 0.000 2.990 383 H HA 0.686 5.242 4.556 -0.000 0.000 0.343 383 H C -1.270 174.152 175.328 0.158 0.000 1.270 383 H CA -0.997 55.081 56.048 0.050 0.000 1.118 383 H CB 1.095 30.801 29.762 -0.093 0.000 1.861 383 H HN 0.558 nan 8.280 nan 0.000 0.544 384 W N 0.698 121.996 121.300 -0.002 0.000 3.075 384 W HA 0.583 5.243 4.660 -0.000 0.000 0.334 384 W C -2.035 174.502 176.519 0.030 0.000 1.243 384 W CA -0.921 56.395 57.345 -0.047 0.000 1.170 384 W CB 0.761 30.205 29.460 -0.026 0.000 1.452 384 W HN 0.536 nan 8.180 nan 0.000 0.572 385 N N 1.943 120.758 118.700 0.191 0.000 2.425 385 N HA 0.323 5.062 4.740 -0.000 0.000 0.268 385 N C 0.426 176.064 175.510 0.214 0.000 0.991 385 N CA -0.618 52.476 53.050 0.073 0.000 0.931 385 N CB 1.782 40.308 38.487 0.066 0.000 1.130 385 N HN 0.344 nan 8.380 nan 0.000 0.493 386 L N 2.206 123.479 121.223 0.084 0.000 2.056 386 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 386 L C 1.157 178.082 176.870 0.092 0.000 1.078 386 L CA 1.449 56.397 54.840 0.179 0.000 0.749 386 L CB -0.486 41.614 42.059 0.069 0.000 0.901 386 L HN 0.746 nan 8.230 nan 0.000 0.433 387 N N -1.509 117.180 118.700 -0.018 0.000 2.433 387 N HA 0.535 5.274 4.740 -0.000 0.000 0.270 387 N C -0.217 175.277 175.510 -0.027 0.000 1.354 387 N CA 0.146 53.155 53.050 -0.067 0.000 0.889 387 N CB 0.907 39.236 38.487 -0.263 0.000 1.285 387 N HN 0.112 nan 8.380 nan 0.000 0.503 388 A N 0.297 123.134 122.820 0.028 0.000 2.594 388 A HA 0.382 4.702 4.320 -0.000 0.000 0.296 388 A C -1.523 176.087 177.584 0.044 0.000 1.056 388 A CA -0.893 51.180 52.037 0.061 0.000 0.693 388 A CB 1.020 20.071 19.000 0.086 0.000 1.278 388 A HN 0.180 nan 8.150 nan 0.000 0.408 389 N N 0.501 119.219 118.700 0.030 0.000 2.483 389 N HA 0.663 5.403 4.740 -0.000 0.000 0.269 389 N C -0.278 175.237 175.510 0.007 0.000 1.209 389 N CA 0.215 53.256 53.050 -0.015 0.000 0.969 389 N CB 1.377 39.842 38.487 -0.037 0.000 1.173 389 N HN 0.598 nan 8.380 nan 0.000 0.475 390 S N -0.280 115.408 115.700 -0.020 0.000 2.569 390 S HA 0.626 5.096 4.470 -0.000 0.000 0.280 390 S C -0.901 173.695 174.600 -0.006 0.000 1.111 390 S CA -0.704 57.504 58.200 0.014 0.000 0.887 390 S CB 1.960 65.166 63.200 0.009 0.000 1.095 390 S HN 0.209 nan 8.310 nan 0.000 0.476 391 V N 2.654 122.605 119.914 0.060 0.000 2.488 391 V HA 0.455 4.575 4.120 -0.000 0.000 0.293 391 V C -0.771 175.381 176.094 0.096 0.000 1.027 391 V CA -0.469 61.861 62.300 0.050 0.000 0.862 391 V CB 1.209 33.078 31.823 0.077 0.000 1.008 391 V HN 0.787 nan 8.190 nan 0.000 0.428 392 I N 4.813 125.367 120.570 -0.027 0.000 2.396 392 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 392 I C -0.898 175.223 176.117 0.007 0.000 0.999 392 I CA -0.531 60.738 61.300 -0.052 0.000 1.310 392 I CB 1.108 38.931 38.000 -0.295 0.000 1.404 392 I HN 0.661 nan 8.210 nan 0.000 0.496 393 Y N 6.403 126.692 120.300 -0.019 0.000 2.326 393 Y HA 0.474 5.024 4.550 -0.000 0.000 0.329 393 Y C -0.785 175.154 175.900 0.066 0.000 0.973 393 Y CA -0.858 57.253 58.100 0.019 0.000 1.162 393 Y CB 1.307 39.826 38.460 0.098 0.000 1.147 393 Y HN 0.229 nan 8.280 nan 0.000 0.456 394 V N 6.224 125.808 119.914 -0.551 0.000 2.470 394 V HA 0.082 4.202 4.120 -0.000 0.000 0.276 394 V C 0.962 176.843 176.094 -0.356 0.000 1.040 394 V CA 0.876 62.993 62.300 -0.306 0.000 1.008 394 V CB 0.900 32.581 31.823 -0.237 0.000 0.990 394 V HN 0.984 nan 8.190 nan 0.000 0.477 395 T N 2.109 116.661 114.554 -0.003 0.000 3.057 395 T HA 0.238 4.588 4.350 -0.000 0.000 0.254 395 T C 0.676 175.449 174.700 0.121 0.000 1.094 395 T CA 0.059 62.259 62.100 0.166 0.000 1.088 395 T CB 0.408 69.472 68.868 0.327 0.000 0.934 395 T HN 0.533 nan 8.240 nan 0.000 0.497 396 R N -0.579 119.962 120.500 0.068 0.000 2.739 396 R HA 0.464 4.804 4.340 -0.000 0.000 0.266 396 R C -0.139 176.191 176.300 0.050 0.000 1.044 396 R CA 0.358 56.499 56.100 0.069 0.000 0.885 396 R CB 1.068 31.428 30.300 0.101 0.000 1.260 396 R HN 0.487 nan 8.270 nan 0.000 0.477 397 G N 2.516 111.344 108.800 0.047 0.000 2.553 397 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 397 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 397 G C -1.108 173.810 174.900 0.030 0.000 1.277 397 G CA 0.363 45.490 45.100 0.044 0.000 0.910 397 G HN 0.741 nan 8.290 nan 0.000 0.576 398 K N -0.926 119.494 120.400 0.033 0.000 2.610 398 K HA 0.626 4.946 4.320 -0.000 0.000 0.278 398 K C -0.305 176.314 176.600 0.032 0.000 0.964 398 K CA -0.017 56.285 56.287 0.025 0.000 0.859 398 K CB 1.274 33.789 32.500 0.026 0.000 1.434 398 K HN 2.156 nan 8.250 nan 0.000 0.410 399 G N 1.491 110.307 108.800 0.027 0.000 2.608 399 G HA2 0.444 4.404 3.960 -0.000 0.000 0.291 399 G HA3 0.444 4.404 3.960 -0.000 0.000 0.291 399 G C -2.076 172.849 174.900 0.041 0.000 1.425 399 G CA -0.910 44.211 45.100 0.036 0.000 0.787 399 G HN 0.476 nan 8.290 nan 0.000 0.484 400 R N -0.087 120.441 120.500 0.047 0.000 2.254 400 R HA 0.635 4.975 4.340 -0.000 0.000 0.318 400 R C -0.780 175.564 176.300 0.073 0.000 1.031 400 R CA -0.198 55.938 56.100 0.060 0.000 0.905 400 R CB 0.987 31.312 30.300 0.041 0.000 1.050 400 R HN 0.352 nan 8.270 nan 0.000 0.456 401 V N 5.774 125.774 119.914 0.142 0.000 2.680 401 V HA 0.619 4.739 4.120 -0.000 0.000 0.309 401 V C -0.286 175.961 176.094 0.256 0.000 1.052 401 V CA -0.885 61.501 62.300 0.143 0.000 0.908 401 V CB 2.064 33.915 31.823 0.048 0.000 1.001 401 V HN 0.755 nan 8.190 nan 0.000 0.431 402 R N 2.698 123.288 120.500 0.150 0.000 2.538 402 R HA 0.767 5.107 4.340 -0.000 0.000 0.292 402 R C -1.740 174.622 176.300 0.104 0.000 1.008 402 R CA -0.630 55.558 56.100 0.147 0.000 0.896 402 R CB 2.438 32.775 30.300 0.062 0.000 1.187 402 R HN 0.475 nan 8.270 nan 0.000 0.440 403 V N 3.589 123.599 119.914 0.161 0.000 2.487 403 V HA 0.447 4.567 4.120 -0.000 0.000 0.298 403 V C -0.399 175.762 176.094 0.112 0.000 1.028 403 V CA -0.812 61.564 62.300 0.126 0.000 0.860 403 V CB 2.037 33.959 31.823 0.166 0.000 0.991 403 V HN 0.463 nan 8.190 nan 0.000 0.427 404 V N 5.022 124.962 119.914 0.045 0.000 2.495 404 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 404 V C -0.034 175.917 176.094 -0.238 0.000 1.031 404 V CA -0.812 61.454 62.300 -0.057 0.000 0.871 404 V CB 2.013 33.797 31.823 -0.066 0.000 0.988 404 V HN 1.054 nan 8.190 nan 0.000 0.432 408 G N 1.442 110.161 108.800 -0.136 0.000 2.160 408 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.251 408 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.251 408 G C -0.354 174.498 174.900 -0.079 0.000 1.008 408 G CA 0.544 45.585 45.100 -0.099 0.000 0.724 408 G HN 0.356 nan 8.290 nan 0.000 0.514 409 N N 0.268 118.912 118.700 -0.094 0.000 2.430 409 N HA 0.597 5.337 4.740 -0.000 0.000 0.292 409 N C 0.259 175.739 175.510 -0.049 0.000 1.051 409 N CA -0.109 52.905 53.050 -0.062 0.000 0.917 409 N CB 1.335 39.790 38.487 -0.053 0.000 1.164 409 N HN 0.413 nan 8.380 nan 0.000 0.484 410 A N 1.850 124.656 122.820 -0.024 0.000 2.671 410 A HA 0.146 4.466 4.320 -0.000 0.000 0.306 410 A C 1.358 178.961 177.584 0.031 0.000 1.473 410 A CA -0.590 51.450 52.037 0.004 0.000 1.155 410 A CB -0.675 18.320 19.000 -0.009 0.000 1.123 410 A HN 0.699 nan 8.150 nan 0.000 0.545 411 V N 0.421 120.386 119.914 0.085 0.000 3.078 411 V HA 0.158 4.278 4.120 -0.000 0.000 0.265 411 V C 0.442 176.646 176.094 0.183 0.000 1.122 411 V CA 1.029 63.408 62.300 0.131 0.000 1.141 411 V CB -1.362 30.586 31.823 0.209 0.000 0.735 411 V HN 0.674 nan 8.190 nan 0.000 0.498 412 F N 0.383 120.347 119.950 0.023 0.000 2.596 412 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 412 F C -1.527 174.267 175.800 -0.009 0.000 1.116 412 F CA -0.933 57.069 58.000 0.003 0.000 0.957 412 F CB 2.082 41.077 39.000 -0.007 0.000 1.250 412 F HN -0.037 nan 8.300 nan 0.000 0.444 413 D N 3.883 123.851 120.400 -0.720 0.000 2.362 413 D HA 0.524 5.164 4.640 -0.000 0.000 0.232 413 D C -0.659 175.306 176.300 -0.558 0.000 1.329 413 D CA 0.272 54.041 54.000 -0.385 0.000 0.944 413 D CB 1.105 41.792 40.800 -0.187 0.000 1.471 413 D HN 1.005 nan 8.370 nan 0.000 0.533 414 G N 1.499 110.020 108.800 -0.465 0.000 2.428 414 G HA2 0.314 4.274 3.960 -0.000 0.000 0.304 414 G HA3 0.314 4.274 3.960 -0.000 0.000 0.304 414 G C -1.193 173.731 174.900 0.039 0.000 1.303 414 G CA -0.691 44.247 45.100 -0.270 0.000 0.825 414 G HN 0.085 nan 8.290 nan 0.000 0.484 415 E N -0.492 119.737 120.200 0.050 0.000 2.343 415 E HA 0.527 4.877 4.350 -0.000 0.000 0.269 415 E C -0.965 175.732 176.600 0.163 0.000 1.047 415 E CA -0.383 56.072 56.400 0.091 0.000 0.874 415 E CB 2.272 31.999 29.700 0.046 0.000 1.033 415 E HN 0.336 nan 8.360 nan 0.000 0.409 416 L N 3.299 124.581 121.223 0.097 0.000 2.409 416 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 416 L C -0.641 176.219 176.870 -0.016 0.000 0.980 416 L CA -0.461 54.399 54.840 0.033 0.000 0.826 416 L CB 1.019 43.034 42.059 -0.074 0.000 1.268 416 L HN 0.507 nan 8.230 nan 0.000 0.407 417 R N 3.385 123.871 120.500 -0.024 0.000 2.905 417 R HA 0.558 4.898 4.340 -0.000 0.000 0.260 417 R C -0.608 175.650 176.300 -0.070 0.000 1.086 417 R CA -1.060 55.023 56.100 -0.029 0.000 0.978 417 R CB 0.748 31.049 30.300 0.003 0.000 1.215 417 R HN 0.678 nan 8.270 nan 0.000 0.480 418 R N -0.106 120.363 120.500 -0.052 0.000 2.500 418 R HA 0.006 4.346 4.340 -0.000 0.000 0.281 418 R C 0.608 176.859 176.300 -0.082 0.000 0.953 418 R CA 2.331 58.385 56.100 -0.076 0.000 1.108 418 R CB -0.477 29.825 30.300 0.003 0.000 0.901 418 R HN 0.962 nan 8.270 nan 0.000 0.410 419 G N 2.442 111.108 108.800 -0.224 0.000 2.217 419 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.246 419 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.246 419 G C -0.126 174.813 174.900 0.064 0.000 0.990 419 G CA 0.258 45.351 45.100 -0.011 0.000 0.627 419 G HN 0.626 nan 8.290 nan 0.000 0.522 420 Q N -0.458 119.278 119.800 -0.108 0.000 2.227 420 Q HA 0.719 5.059 4.340 -0.000 0.000 0.245 420 Q C -0.690 175.287 176.000 -0.037 0.000 0.926 420 Q CA -0.666 55.153 55.803 0.028 0.000 0.895 420 Q CB 2.238 30.969 28.738 -0.013 0.000 1.230 420 Q HN 0.274 nan 8.270 nan 0.000 0.450 421 L N 2.773 124.044 121.223 0.081 0.000 2.333 421 L HA 0.518 4.858 4.340 -0.000 0.000 0.280 421 L C -1.755 175.031 176.870 -0.141 0.000 1.004 421 L CA -0.638 54.172 54.840 -0.050 0.000 0.820 421 L CB 1.600 43.520 42.059 -0.231 0.000 1.247 421 L HN 0.515 nan 8.230 nan 0.000 0.416 422 L N 5.742 126.837 121.223 -0.213 0.000 2.406 422 L HA 0.605 4.945 4.340 -0.000 0.000 0.272 422 L C -1.200 175.521 176.870 -0.249 0.000 0.980 422 L CA -0.352 54.304 54.840 -0.307 0.000 0.831 422 L CB 2.036 43.782 42.059 -0.521 0.000 1.253 422 L HN 0.344 nan 8.230 nan 0.000 0.406 423 V N 5.669 125.456 119.914 -0.211 0.000 2.530 423 V HA 0.391 4.511 4.120 -0.000 0.000 0.282 423 V C -0.211 175.762 176.094 -0.202 0.000 1.048 423 V CA -0.404 61.791 62.300 -0.174 0.000 0.997 423 V CB 1.517 33.252 31.823 -0.147 0.000 0.987 423 V HN 0.524 nan 8.190 nan 0.000 0.477 424 V N 7.656 127.459 119.914 -0.185 0.000 2.325 424 V HA 0.310 4.430 4.120 -0.000 0.000 0.280 424 V C -2.336 173.612 176.094 -0.243 0.000 1.016 424 V CA -1.851 60.333 62.300 -0.193 0.000 0.818 424 V CB 1.440 33.179 31.823 -0.140 0.000 1.019 424 V HN 0.751 nan 8.190 nan 0.000 0.434 425 P HA 0.016 nan 4.420 nan 0.000 0.268 425 P C -0.104 177.017 177.300 -0.298 0.000 1.208 425 P CA -0.032 62.709 63.100 -0.599 0.000 0.777 425 P CB 0.449 31.304 31.700 -1.408 0.000 0.875 426 Q N 2.858 122.585 119.800 -0.121 0.000 2.304 426 Q HA -0.153 4.187 4.340 -0.000 0.000 0.301 426 Q C 0.429 176.538 176.000 0.181 0.000 1.063 426 Q CA 0.834 56.665 55.803 0.048 0.000 0.947 426 Q CB -0.538 28.231 28.738 0.052 0.000 1.201 426 Q HN 0.471 nan 8.270 nan 0.000 0.389 427 N N 1.294 120.146 118.700 0.252 0.000 2.946 427 N HA -0.248 4.492 4.740 -0.000 0.000 0.228 427 N C -0.824 174.810 175.510 0.206 0.000 0.873 427 N CA 0.723 53.901 53.050 0.213 0.000 1.029 427 N CB -1.091 37.445 38.487 0.082 0.000 1.047 427 N HN 0.486 nan 8.380 nan 0.000 0.612 428 F N 1.422 121.361 119.950 -0.017 0.000 2.459 428 F HA 0.217 4.744 4.527 -0.000 0.000 0.346 428 F C 1.109 176.895 175.800 -0.024 0.000 1.128 428 F CA -0.854 57.117 58.000 -0.048 0.000 1.268 428 F CB 0.706 39.682 39.000 -0.040 0.000 1.161 428 F HN -0.290 nan 8.300 nan 0.000 0.583 429 V N 4.641 124.603 119.914 0.079 0.000 2.465 429 V HA 0.329 4.449 4.120 -0.000 0.000 0.279 429 V C -0.179 175.892 176.094 -0.039 0.000 1.045 429 V CA -0.460 61.863 62.300 0.039 0.000 0.938 429 V CB 1.375 33.197 31.823 -0.001 0.000 0.986 429 V HN 0.523 nan 8.190 nan 0.000 0.467 430 V N 4.233 124.019 119.914 -0.214 0.000 2.914 430 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 430 V C -0.365 175.507 176.094 -0.369 0.000 1.084 430 V CA -0.072 62.058 62.300 -0.283 0.000 0.963 430 V CB 2.199 33.818 31.823 -0.341 0.000 1.025 430 V HN 1.184 nan 8.190 nan 0.000 0.432 431 A N 4.154 126.877 122.820 -0.162 0.000 2.549 431 A HA 0.944 5.264 4.320 -0.000 0.000 0.297 431 A C -1.360 176.226 177.584 0.004 0.000 1.061 431 A CA -0.640 51.373 52.037 -0.040 0.000 0.690 431 A CB 2.048 21.064 19.000 0.025 0.000 1.287 431 A HN 0.842 nan 8.150 nan 0.000 0.402 432 E N 0.172 120.417 120.200 0.076 0.000 2.314 432 E HA 0.583 4.933 4.350 -0.000 0.000 0.272 432 E C -1.058 175.608 176.600 0.111 0.000 0.884 432 E CA -0.457 55.992 56.400 0.082 0.000 0.753 432 E CB 2.297 32.060 29.700 0.106 0.000 1.213 432 E HN 0.595 nan 8.360 nan 0.000 0.432 433 Q N 1.295 121.143 119.800 0.079 0.000 2.292 433 Q HA 0.547 4.887 4.340 -0.000 0.000 0.270 433 Q C -0.543 175.494 176.000 0.062 0.000 1.024 433 Q CA -0.819 55.026 55.803 0.070 0.000 0.768 433 Q CB 1.500 30.272 28.738 0.057 0.000 1.250 433 Q HN 0.757 nan 8.270 nan 0.000 0.447 434 G N 2.079 110.915 108.800 0.060 0.000 2.353 434 G HA2 0.322 4.282 3.960 -0.000 0.000 0.239 434 G HA3 0.322 4.282 3.960 -0.000 0.000 0.239 434 G C 0.387 175.320 174.900 0.056 0.000 1.295 434 G CA 0.227 45.362 45.100 0.059 0.000 0.884 434 G HN 0.717 nan 8.290 nan 0.000 0.537 435 G N 1.116 109.948 108.800 0.053 0.000 2.546 435 G HA2 0.312 4.272 3.960 -0.000 0.000 0.239 435 G HA3 0.312 4.272 3.960 -0.000 0.000 0.239 435 G C 0.866 175.795 174.900 0.049 0.000 1.476 435 G CA 0.107 45.234 45.100 0.046 0.000 1.064 435 G HN 0.529 nan 8.290 nan 0.000 0.561 436 E N -0.193 120.032 120.200 0.042 0.000 2.077 436 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 436 E C 2.254 178.883 176.600 0.048 0.000 0.989 436 E CA 1.124 57.548 56.400 0.041 0.000 0.800 436 E CB 0.041 29.760 29.700 0.032 0.000 0.746 436 E HN 0.312 nan 8.360 nan 0.000 0.452 437 Q N -0.090 119.740 119.800 0.050 0.000 2.246 437 Q HA 0.285 4.625 4.340 -0.000 0.000 0.202 437 Q C 0.605 176.651 176.000 0.077 0.000 0.883 437 Q CA 0.558 56.396 55.803 0.058 0.000 0.952 437 Q CB 0.826 29.594 28.738 0.050 0.000 1.078 437 Q HN 0.234 nan 8.270 nan 0.000 0.493 438 G N 1.332 110.181 108.800 0.082 0.000 2.728 438 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.294 438 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.294 438 G C -1.430 173.513 174.900 0.072 0.000 1.342 438 G CA -0.383 44.775 45.100 0.097 0.000 0.866 438 G HN 0.255 nan 8.290 nan 0.000 0.534 439 L N -0.478 120.781 121.223 0.060 0.000 2.526 439 L HA 0.825 5.165 4.340 -0.000 0.000 0.263 439 L C -0.673 176.214 176.870 0.029 0.000 0.943 439 L CA -0.507 54.370 54.840 0.063 0.000 0.859 439 L CB 1.982 44.095 42.059 0.090 0.000 1.313 439 L HN 0.829 nan 8.230 nan 0.000 0.406 440 E N 4.204 124.419 120.200 0.024 0.000 2.272 440 E HA 0.642 4.992 4.350 -0.000 0.000 0.269 440 E C -1.980 174.572 176.600 -0.081 0.000 0.877 440 E CA -0.638 55.680 56.400 -0.137 0.000 0.755 440 E CB 2.647 32.310 29.700 -0.061 0.000 1.192 440 E HN 0.556 nan 8.360 nan 0.000 0.422 441 Y N -1.555 118.470 120.300 -0.458 0.000 2.641 441 Y HA 0.603 5.153 4.550 -0.000 0.000 0.333 441 Y C -1.738 173.903 175.900 -0.431 0.000 1.174 441 Y CA -1.242 56.662 58.100 -0.327 0.000 1.057 441 Y CB 0.730 39.061 38.460 -0.215 0.000 1.322 441 Y HN 0.332 nan 8.280 nan 0.000 0.457 442 V N 2.225 122.137 119.914 -0.003 0.000 2.732 442 V HA 0.861 4.981 4.120 -0.000 0.000 0.310 442 V C -1.333 174.702 176.094 -0.099 0.000 1.053 442 V CA -0.811 61.428 62.300 -0.102 0.000 0.957 442 V CB 1.751 33.488 31.823 -0.142 0.000 1.018 442 V HN 0.796 nan 8.190 nan 0.000 0.452 443 V N 6.375 126.175 119.914 -0.189 0.000 2.482 443 V HA 0.475 4.594 4.120 -0.000 0.000 0.295 443 V C -0.664 175.325 176.094 -0.175 0.000 1.026 443 V CA -0.515 61.734 62.300 -0.086 0.000 0.856 443 V CB 1.225 33.099 31.823 0.086 0.000 1.001 443 V HN 0.730 nan 8.190 nan 0.000 0.424 444 F N 3.210 123.198 119.950 0.063 0.000 2.396 444 F HA 0.577 5.104 4.527 -0.000 0.000 0.343 444 F C 0.713 176.533 175.800 0.034 0.000 1.104 444 F CA -0.283 57.742 58.000 0.042 0.000 1.161 444 F CB 1.070 40.076 39.000 0.011 0.000 1.146 444 F HN 0.282 nan 8.300 nan 0.000 0.522 445 K N 0.711 121.243 120.400 0.220 0.000 2.397 445 K HA 0.282 4.602 4.320 -0.000 0.000 0.253 445 K C -0.229 176.463 176.600 0.154 0.000 0.932 445 K CA -0.777 55.598 56.287 0.147 0.000 0.795 445 K CB 1.883 34.450 32.500 0.111 0.000 1.159 445 K HN 0.637 nan 8.250 nan 0.000 0.424 446 T N -0.504 114.126 114.554 0.126 0.000 3.820 446 T HA 0.053 4.403 4.350 -0.000 0.000 0.224 446 T C -0.016 174.784 174.700 0.166 0.000 0.869 446 T CA -0.145 62.028 62.100 0.122 0.000 0.932 446 T CB -0.628 68.287 68.868 0.079 0.000 1.259 446 T HN 0.494 nan 8.240 nan 0.000 0.676 447 H N 0.570 119.677 119.070 0.063 0.000 3.085 447 H HA 0.153 4.709 4.556 -0.000 0.000 0.356 447 H C 0.473 175.818 175.328 0.028 0.000 1.178 447 H CA -0.505 55.561 56.048 0.030 0.000 1.214 447 H CB 1.493 31.235 29.762 -0.033 0.000 1.881 447 H HN 0.516 nan 8.280 nan 0.000 0.538 448 H N 2.750 121.755 119.070 -0.108 0.000 2.489 448 H HA -0.001 4.555 4.556 -0.000 0.000 0.293 448 H C 0.022 175.444 175.328 0.156 0.000 1.066 448 H CA 1.417 57.475 56.048 0.017 0.000 1.305 448 H CB 0.372 30.078 29.762 -0.094 0.000 1.386 448 H HN 0.247 nan 8.280 nan 0.000 0.551 449 N N 0.507 119.126 118.700 -0.134 0.000 2.673 449 N HA 0.271 5.011 4.740 -0.000 0.000 0.265 449 N C -1.207 174.269 175.510 -0.056 0.000 1.709 449 N CA 0.202 53.204 53.050 -0.080 0.000 0.792 449 N CB 0.305 38.658 38.487 -0.223 0.000 1.286 449 N HN 0.558 nan 8.380 nan 0.000 0.506 450 A N 0.504 123.328 122.820 0.007 0.000 2.511 450 A HA 0.431 4.751 4.320 -0.000 0.000 0.242 450 A C 0.368 177.896 177.584 -0.092 0.000 1.069 450 A CA -0.072 51.911 52.037 -0.090 0.000 0.763 450 A CB 0.051 19.062 19.000 0.018 0.000 1.001 450 A HN 0.532 nan 8.150 nan 0.000 0.498 451 V N 1.323 121.155 119.914 -0.137 0.000 2.604 451 V HA 0.882 5.002 4.120 -0.000 0.000 0.305 451 V C -0.019 176.007 176.094 -0.114 0.000 1.043 451 V CA 0.047 62.288 62.300 -0.099 0.000 0.888 451 V CB 1.184 32.943 31.823 -0.108 0.000 0.995 451 V HN 1.369 nan 8.190 nan 0.000 0.429 452 S N 2.743 118.374 115.700 -0.114 0.000 2.677 452 S HA 0.886 5.356 4.470 -0.000 0.000 0.304 452 S C -0.313 174.108 174.600 -0.299 0.000 1.108 452 S CA -0.335 57.743 58.200 -0.202 0.000 0.944 452 S CB 1.865 65.017 63.200 -0.081 0.000 1.127 452 S HN 1.711 nan 8.310 nan 0.000 0.511 453 S N 0.358 115.712 115.700 -0.578 0.000 2.540 453 S HA 0.654 5.123 4.470 -0.000 0.000 0.275 453 S C -1.565 172.764 174.600 -0.452 0.000 1.123 453 S CA -0.892 56.935 58.200 -0.621 0.000 0.907 453 S CB 0.710 63.248 63.200 -1.103 0.000 1.081 453 S HN 0.876 nan 8.310 nan 0.000 0.476 454 Y N 2.665 122.781 120.300 -0.307 0.000 2.409 454 Y HA 0.628 5.178 4.550 -0.000 0.000 0.339 454 Y C 1.035 176.858 175.900 -0.129 0.000 1.033 454 Y CA -1.188 56.839 58.100 -0.122 0.000 1.094 454 Y CB 0.495 38.934 38.460 -0.034 0.000 1.210 454 Y HN 0.520 nan 8.280 nan 0.000 0.456 455 I N 2.008 122.568 120.570 -0.018 0.000 2.335 455 I HA -0.262 3.907 4.170 -0.000 0.000 0.251 455 I C 1.946 177.697 176.117 -0.610 0.000 1.129 455 I CA 1.429 62.559 61.300 -0.283 0.000 1.402 455 I CB -0.315 37.539 38.000 -0.244 0.000 1.069 455 I HN 0.778 nan 8.210 nan 0.000 0.424 456 K N 0.551 120.781 120.400 -0.283 0.000 2.032 456 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 456 K C 1.771 178.195 176.600 -0.292 0.000 1.048 456 K CA 2.189 58.389 56.287 -0.146 0.000 0.927 456 K CB -0.335 32.275 32.500 0.184 0.000 0.712 456 K HN 0.257 nan 8.250 nan 0.000 0.441 457 D N 0.374 120.345 120.400 -0.716 0.000 2.178 457 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 457 D C 1.639 177.721 176.300 -0.363 0.000 0.980 457 D CA 0.626 54.225 54.000 -0.669 0.000 0.842 457 D CB 0.239 40.290 40.800 -1.247 0.000 0.948 457 D HN -0.086 nan 8.370 nan 0.000 0.472 458 V N -0.108 119.583 119.914 -0.371 0.000 2.358 458 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 458 V C 2.118 178.192 176.094 -0.034 0.000 1.047 458 V CA 1.420 63.612 62.300 -0.179 0.000 1.035 458 V CB -0.739 31.002 31.823 -0.137 0.000 0.658 458 V HN 0.303 nan 8.190 nan 0.000 0.452 459 F N 0.193 120.119 119.950 -0.041 0.000 2.126 459 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 459 F C 2.721 178.471 175.800 -0.082 0.000 1.096 459 F CA 1.237 59.213 58.000 -0.039 0.000 1.255 459 F CB -0.302 38.658 39.000 -0.067 0.000 0.997 459 F HN 0.037 nan 8.300 nan 0.000 0.479 460 R N 0.213 120.755 120.500 0.070 0.000 2.152 460 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 460 R C 2.226 178.530 176.300 0.006 0.000 1.117 460 R CA 1.040 57.129 56.100 -0.019 0.000 0.981 460 R CB -0.519 29.761 30.300 -0.033 0.000 0.870 460 R HN 0.251 nan 8.270 nan 0.000 0.451 461 A N 0.880 123.708 122.820 0.014 0.000 2.123 461 A HA 0.115 4.435 4.320 -0.000 0.000 0.214 461 A C 1.072 178.684 177.584 0.046 0.000 1.152 461 A CA 0.230 52.280 52.037 0.023 0.000 0.728 461 A CB 0.122 19.124 19.000 0.004 0.000 0.814 461 A HN 0.064 nan 8.150 nan 0.000 0.464 462 I N 0.941 121.553 120.570 0.071 0.000 2.396 462 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 462 I C -2.439 173.715 176.117 0.063 0.000 0.999 462 I CA -2.420 58.928 61.300 0.079 0.000 1.310 462 I CB 1.454 39.531 38.000 0.129 0.000 1.404 462 I HN -0.030 nan 8.210 nan 0.000 0.496 463 P HA -0.023 nan 4.420 nan 0.000 0.266 463 P C 0.691 178.016 177.300 0.040 0.000 1.195 463 P CA 0.205 63.332 63.100 0.045 0.000 0.768 463 P CB 0.782 32.504 31.700 0.037 0.000 0.838 464 S N 2.607 118.331 115.700 0.039 0.000 2.372 464 S HA -0.275 4.195 4.470 -0.000 0.000 0.227 464 S C 1.455 176.070 174.600 0.025 0.000 1.044 464 S CA 1.764 59.981 58.200 0.029 0.000 1.050 464 S CB -0.629 62.600 63.200 0.048 0.000 0.901 464 S HN 0.507 nan 8.310 nan 0.000 0.447 465 E N -0.367 119.848 120.200 0.026 0.000 2.347 465 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 465 E C 1.992 178.599 176.600 0.011 0.000 1.008 465 E CA 0.826 57.236 56.400 0.017 0.000 0.852 465 E CB -0.003 29.706 29.700 0.015 0.000 0.783 465 E HN 0.411 nan 8.360 nan 0.000 0.505 466 V N 0.884 120.808 119.914 0.016 0.000 2.379 466 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 466 V C 2.058 178.154 176.094 0.004 0.000 1.044 466 V CA 0.990 63.294 62.300 0.006 0.000 1.036 466 V CB -0.175 31.659 31.823 0.018 0.000 0.664 466 V HN 0.226 nan 8.190 nan 0.000 0.453 467 L N -0.135 121.114 121.223 0.044 0.000 2.056 467 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 467 L C 2.632 179.559 176.870 0.094 0.000 1.078 467 L CA 1.798 56.700 54.840 0.104 0.000 0.749 467 L CB -1.176 40.929 42.059 0.078 0.000 0.901 467 L HN 0.263 nan 8.230 nan 0.000 0.433 468 S N -0.188 115.537 115.700 0.041 0.000 2.353 468 S HA -0.169 4.301 4.470 -0.000 0.000 0.222 468 S C 1.717 176.325 174.600 0.014 0.000 1.035 468 S CA 1.407 59.625 58.200 0.030 0.000 1.025 468 S CB -0.345 62.863 63.200 0.014 0.000 0.902 468 S HN 0.512 nan 8.310 nan 0.000 0.440 469 N N 0.875 119.567 118.700 -0.012 0.000 2.381 469 N HA 0.043 4.783 4.740 -0.000 0.000 0.182 469 N C 1.675 177.134 175.510 -0.085 0.000 1.025 469 N CA 0.659 53.688 53.050 -0.036 0.000 0.888 469 N CB -0.165 38.302 38.487 -0.033 0.000 0.965 469 N HN 0.254 nan 8.380 nan 0.000 0.438 470 S N -0.131 115.481 115.700 -0.148 0.000 2.377 470 S HA -0.003 4.467 4.470 -0.000 0.000 0.223 470 S C 1.073 175.407 174.600 -0.443 0.000 1.030 470 S CA 0.784 58.770 58.200 -0.356 0.000 0.970 470 S CB -0.065 62.798 63.200 -0.560 0.000 0.830 470 S HN 0.428 nan 8.310 nan 0.000 0.473 471 Y N 1.139 121.420 120.300 -0.031 0.000 2.531 471 Y HA 0.363 4.913 4.550 -0.000 0.000 0.249 471 Y C 0.279 176.156 175.900 -0.037 0.000 1.168 471 Y CA -0.702 57.376 58.100 -0.037 0.000 1.226 471 Y CB -0.038 38.383 38.460 -0.065 0.000 1.177 471 Y HN 0.057 nan 8.280 nan 0.000 0.527 472 N N 1.453 120.194 118.700 0.070 0.000 2.708 472 N HA -0.184 4.556 4.740 -0.000 0.000 0.255 472 N C -1.091 174.446 175.510 0.044 0.000 1.046 472 N CA 0.726 53.799 53.050 0.039 0.000 0.715 472 N CB -1.411 37.093 38.487 0.028 0.000 0.895 472 N HN 0.389 nan 8.380 nan 0.000 0.545 473 L N -0.432 120.818 121.223 0.045 0.000 2.330 473 L HA 0.691 5.031 4.340 -0.000 0.000 0.271 473 L C 1.410 178.283 176.870 0.004 0.000 1.013 473 L CA -0.959 53.891 54.840 0.015 0.000 0.816 473 L CB 1.697 43.754 42.059 -0.004 0.000 1.287 473 L HN 0.183 nan 8.230 nan 0.000 0.435 474 G N -0.097 108.700 108.800 -0.005 0.000 2.507 474 G HA2 0.179 4.139 3.960 -0.000 0.000 0.271 474 G HA3 0.179 4.139 3.960 -0.000 0.000 0.271 474 G C 0.418 175.317 174.900 -0.002 0.000 1.189 474 G CA -0.214 44.886 45.100 -0.002 0.000 0.859 474 G HN 0.656 nan 8.290 nan 0.000 0.542 475 Q N 0.882 120.686 119.800 0.006 0.000 2.112 475 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 475 Q C 2.538 178.548 176.000 0.018 0.000 0.987 475 Q CA 3.011 58.822 55.803 0.015 0.000 0.858 475 Q CB -0.648 28.102 28.738 0.020 0.000 0.905 475 Q HN 0.623 nan 8.270 nan 0.000 0.420 476 S N -0.564 115.144 115.700 0.014 0.000 2.368 476 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 476 S C 1.990 176.592 174.600 0.005 0.000 1.029 476 S CA 1.100 59.310 58.200 0.017 0.000 0.988 476 S CB -0.495 62.712 63.200 0.013 0.000 0.838 476 S HN 0.563 nan 8.310 nan 0.000 0.462 477 Q N 0.686 120.478 119.800 -0.014 0.000 2.050 477 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 477 Q C 2.441 178.397 176.000 -0.072 0.000 0.980 477 Q CA 1.732 57.511 55.803 -0.041 0.000 0.840 477 Q CB -0.574 28.135 28.738 -0.049 0.000 0.898 477 Q HN 0.493 nan 8.270 nan 0.000 0.424 478 V N 1.081 120.954 119.914 -0.068 0.000 2.295 478 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 478 V C 2.389 178.426 176.094 -0.095 0.000 1.049 478 V CA 2.203 64.439 62.300 -0.107 0.000 1.024 478 V CB -0.661 31.126 31.823 -0.060 0.000 0.648 478 V HN 0.366 nan 8.190 nan 0.000 0.447 479 R N 0.784 121.282 120.500 -0.003 0.000 2.091 479 R HA -0.300 4.040 4.340 -0.000 0.000 0.238 479 R C 2.387 178.737 176.300 0.084 0.000 1.136 479 R CA 2.359 58.521 56.100 0.104 0.000 0.959 479 R CB -0.373 30.027 30.300 0.167 0.000 0.856 479 R HN 0.715 nan 8.270 nan 0.000 0.437 480 Q N 0.334 120.151 119.800 0.029 0.000 2.167 480 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 480 Q C 1.977 177.965 176.000 -0.021 0.000 0.970 480 Q CA 1.573 57.391 55.803 0.025 0.000 0.855 480 Q CB -0.277 28.465 28.738 0.007 0.000 0.911 480 Q HN 0.486 nan 8.270 nan 0.000 0.438 481 L N -0.059 121.105 121.223 -0.097 0.000 2.072 481 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 481 L C 2.223 179.027 176.870 -0.111 0.000 1.079 481 L CA 1.515 56.275 54.840 -0.134 0.000 0.752 481 L CB -0.163 41.697 42.059 -0.330 0.000 0.906 481 L HN 0.290 nan 8.230 nan 0.000 0.436 482 K N -1.274 118.971 120.400 -0.258 0.000 2.228 482 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 482 K C 1.350 177.623 176.600 -0.545 0.000 1.051 482 K CA 1.096 57.101 56.287 -0.471 0.000 0.960 482 K CB 0.192 32.180 32.500 -0.854 0.000 0.743 482 K HN 0.267 nan 8.250 nan 0.000 0.458 483 Y N 0.366 120.690 120.300 0.040 0.000 2.467 483 Y HA 0.216 4.766 4.550 -0.000 0.000 0.259 483 Y C 0.407 176.329 175.900 0.035 0.000 1.084 483 Y CA -0.507 57.616 58.100 0.037 0.000 1.275 483 Y CB 0.441 38.916 38.460 0.025 0.000 1.208 483 Y HN -0.122 nan 8.280 nan 0.000 0.511 484 Q N 0.528 120.416 119.800 0.147 0.000 2.230 484 Q HA 0.506 4.846 4.340 -0.000 0.000 0.248 484 Q C 0.318 176.365 176.000 0.078 0.000 0.915 484 Q CA 0.046 55.909 55.803 0.101 0.000 0.900 484 Q CB 1.691 30.474 28.738 0.074 0.000 1.229 484 Q HN 0.392 nan 8.270 nan 0.000 0.439 485 G N 1.583 110.424 108.800 0.067 0.000 2.707 485 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.686 485 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.686 485 G C -0.644 174.294 174.900 0.063 0.000 1.315 485 G CA -0.522 44.612 45.100 0.058 0.000 0.832 485 G HN 0.926 nan 8.290 nan 0.000 0.573 486 N N -0.437 118.293 118.700 0.049 0.000 2.374 486 N HA 0.245 4.985 4.740 -0.000 0.000 0.241 486 N C 1.223 176.778 175.510 0.074 0.000 1.262 486 N CA 0.200 53.277 53.050 0.044 0.000 0.880 486 N CB 1.323 39.820 38.487 0.017 0.000 1.105 486 N HN 0.626 nan 8.380 nan 0.000 0.438 487 S N 1.020 116.769 115.700 0.082 0.000 2.421 487 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 487 S C 1.181 175.895 174.600 0.191 0.000 1.035 487 S CA 0.392 58.671 58.200 0.131 0.000 0.953 487 S CB -0.621 62.651 63.200 0.119 0.000 0.810 487 S HN 0.738 nan 8.310 nan 0.000 0.497 488 G N 1.493 110.351 108.800 0.097 0.000 2.631 488 G HA2 0.260 4.220 3.960 -0.000 0.000 0.271 488 G HA3 0.260 4.220 3.960 -0.000 0.000 0.271 488 G C -1.552 173.213 174.900 -0.225 0.000 1.302 488 G CA -0.458 44.637 45.100 -0.009 0.000 1.002 488 G HN 0.306 nan 8.290 nan 0.000 0.519 489 P HA 0.052 nan 4.420 nan 0.000 0.231 489 P C 0.330 177.391 177.300 -0.397 0.000 1.168 489 P CA 0.511 63.164 63.100 -0.745 0.000 0.779 489 P CB 0.285 31.279 31.700 -1.176 0.000 0.844 490 L N 0.718 121.725 121.223 -0.362 0.000 2.257 490 L HA 0.318 4.658 4.340 -0.000 0.000 0.290 490 L C -0.078 176.712 176.870 -0.133 0.000 1.044 490 L CA -0.745 53.932 54.840 -0.271 0.000 0.810 490 L CB 1.716 43.593 42.059 -0.304 0.000 1.193 490 L HN -0.311 nan 8.230 nan 0.000 0.425 491 V N 2.732 122.604 119.914 -0.069 0.000 2.495 491 V HA 0.264 4.384 4.120 -0.000 0.000 0.298 491 V C -0.240 175.850 176.094 -0.007 0.000 1.031 491 V CA -0.813 61.475 62.300 -0.020 0.000 0.871 491 V CB 1.971 33.806 31.823 0.019 0.000 0.988 491 V HN 0.872 nan 8.190 nan 0.000 0.432 492 N N 5.444 124.143 118.700 -0.002 0.000 2.527 492 N HA 0.524 5.264 4.740 -0.000 0.000 0.236 492 N C -2.016 173.505 175.510 0.018 0.000 0.999 492 N CA -1.118 51.939 53.050 0.012 0.000 0.935 492 N CB 1.164 39.656 38.487 0.009 0.000 1.132 492 N HN 0.485 nan 8.380 nan 0.000 0.511 493 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 0.029 0.000 0.726