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 1od5_1_A DATA FIRST_RESID 7 DATA SEQUENCE NEcQLNNLNA LEPDHRVESE GGLIETWNSQ HPELQcAGVT VSKRTLNRNG DATA SEQUENCE LHLPSYSPYP QMIIVVQGKG AIGFAFPGcP ETFEKPXXXX XXXXXXXXXX DATA SEQUENCE XQDSHQKIRH 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 GKGRVRVVNC 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 0.000 175.528 175.510 0.030 0.000 1.280 7 N CA 0.000 53.066 53.050 0.027 0.000 0.885 7 N CB 0.000 38.500 38.487 0.022 0.000 1.341 8 E N 0.629 120.843 120.200 0.024 0.000 2.273 8 E HA -0.025 4.325 4.350 -0.000 0.000 0.198 8 E C 0.408 177.019 176.600 0.018 0.000 1.002 8 E CA 1.524 57.935 56.400 0.019 0.000 0.828 8 E CB -0.031 29.675 29.700 0.010 0.000 0.747 8 E HN 0.448 nan 8.360 nan 0.000 0.491 9 c N -0.157 118.460 118.600 0.029 0.000 3.000 9 c HA 0.162 4.732 4.570 -0.000 0.000 0.286 9 c C 0.639 174.793 174.090 0.106 0.000 1.343 9 c CA -0.567 55.780 56.329 0.030 0.000 1.742 9 c CB -0.470 42.044 42.510 0.005 0.000 2.200 9 c HN 0.283 nan 8.230 nan 0.000 0.621 10 Q N 1.701 121.555 119.800 0.090 0.000 2.835 10 Q HA 0.455 4.795 4.340 -0.000 0.000 0.235 10 Q C -1.059 174.998 176.000 0.095 0.000 1.313 10 Q CA 0.194 56.058 55.803 0.102 0.000 1.053 10 Q CB -0.091 28.685 28.738 0.064 0.000 1.443 10 Q HN 0.607 nan 8.270 nan 0.000 0.576 11 L N 3.108 124.413 121.223 0.136 0.000 2.316 11 L HA 0.359 4.699 4.340 -0.000 0.000 0.280 11 L C 0.877 177.829 176.870 0.137 0.000 1.006 11 L CA -0.480 54.430 54.840 0.117 0.000 0.836 11 L CB 1.248 43.369 42.059 0.104 0.000 1.221 11 L HN 0.573 nan 8.230 nan 0.000 0.418 12 N N 1.411 120.166 118.700 0.092 0.000 2.461 12 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 12 N C -0.015 175.544 175.510 0.081 0.000 1.134 12 N CA -0.061 53.035 53.050 0.075 0.000 0.878 12 N CB 0.275 38.788 38.487 0.043 0.000 0.972 12 N HN 0.561 nan 8.380 nan 0.000 0.456 13 N N -0.143 118.617 118.700 0.101 0.000 2.331 13 N HA 0.439 5.179 4.740 -0.000 0.000 0.280 13 N C -2.279 173.313 175.510 0.137 0.000 1.155 13 N CA -0.661 52.455 53.050 0.109 0.000 0.822 13 N CB 1.808 40.344 38.487 0.082 0.000 1.619 13 N HN -0.077 nan 8.380 nan 0.000 0.476 14 L N 1.966 123.300 121.223 0.186 0.000 2.381 14 L HA 0.600 4.940 4.340 -0.000 0.000 0.268 14 L C -0.915 176.116 176.870 0.270 0.000 0.997 14 L CA -0.473 54.477 54.840 0.183 0.000 0.818 14 L CB 1.854 44.016 42.059 0.172 0.000 1.310 14 L HN 0.702 nan 8.230 nan 0.000 0.416 15 N N 1.083 119.888 118.700 0.176 0.000 2.335 15 N HA 0.793 5.533 4.740 -0.000 0.000 0.304 15 N C -0.983 174.593 175.510 0.110 0.000 1.135 15 N CA -0.640 52.538 53.050 0.214 0.000 0.817 15 N CB 1.872 40.459 38.487 0.166 0.000 1.294 15 N HN 0.684 nan 8.380 nan 0.000 0.497 16 A N 1.766 124.698 122.820 0.186 0.000 2.302 16 A HA 0.446 4.766 4.320 -0.000 0.000 0.295 16 A C -0.464 177.176 177.584 0.093 0.000 1.235 16 A CA -0.377 51.696 52.037 0.059 0.000 0.876 16 A CB -0.416 18.674 19.000 0.149 0.000 1.133 16 A HN 0.589 nan 8.150 nan 0.000 0.533 17 L N 2.509 123.785 121.223 0.089 0.000 2.325 17 L HA 0.492 4.832 4.340 -0.000 0.000 0.279 17 L C 0.467 177.550 176.870 0.356 0.000 1.054 17 L CA -0.350 54.590 54.840 0.167 0.000 0.804 17 L CB 1.197 43.317 42.059 0.101 0.000 1.200 17 L HN 0.700 nan 8.230 nan 0.000 0.436 18 E N 2.021 122.301 120.200 0.135 0.000 2.281 18 E HA 0.443 4.792 4.350 -0.000 0.000 0.262 18 E C -2.475 173.726 176.600 -0.665 0.000 0.933 18 E CA -2.064 54.291 56.400 -0.074 0.000 0.809 18 E CB 1.874 31.544 29.700 -0.050 0.000 1.242 18 E HN 0.301 nan 8.360 nan 0.000 0.418 19 P HA 0.012 nan 4.420 nan 0.000 0.269 19 P C -0.657 176.371 177.300 -0.454 0.000 1.209 19 P CA 0.400 62.822 63.100 -1.131 0.000 0.776 19 P CB 0.639 31.767 31.700 -0.953 0.000 0.876 20 D N -1.208 119.035 120.400 -0.262 0.000 2.566 20 D HA 0.031 4.670 4.640 -0.000 0.000 0.253 20 D C 0.329 176.625 176.300 -0.008 0.000 0.992 20 D CA 1.165 55.129 54.000 -0.061 0.000 0.940 20 D CB -0.338 40.493 40.800 0.052 0.000 1.095 20 D HN 0.490 nan 8.370 nan 0.000 0.480 21 H N 0.199 119.191 119.070 -0.130 0.000 2.595 21 H HA 0.623 5.179 4.556 -0.000 0.000 0.346 21 H C -0.804 174.447 175.328 -0.129 0.000 1.181 21 H CA -0.914 55.066 56.048 -0.114 0.000 1.242 21 H CB 1.068 30.766 29.762 -0.106 0.000 1.652 21 H HN -0.191 nan 8.280 nan 0.000 0.548 22 R N 2.987 123.026 120.500 -0.768 0.000 2.522 22 R HA 0.502 4.842 4.340 -0.000 0.000 0.283 22 R C -2.253 173.672 176.300 -0.624 0.000 1.074 22 R CA -0.711 55.066 56.100 -0.538 0.000 0.925 22 R CB 1.289 31.417 30.300 -0.285 0.000 1.205 22 R HN 0.426 nan 8.270 nan 0.000 0.436 23 V N 3.975 123.656 119.914 -0.387 0.000 2.384 23 V HA 0.344 4.464 4.120 -0.000 0.000 0.287 23 V C -0.283 175.718 176.094 -0.154 0.000 1.020 23 V CA -0.642 61.519 62.300 -0.233 0.000 0.850 23 V CB 1.650 33.393 31.823 -0.133 0.000 0.987 23 V HN 0.722 nan 8.190 nan 0.000 0.436 24 E N 2.340 122.467 120.200 -0.121 0.000 2.197 24 E HA 0.545 4.895 4.350 -0.000 0.000 0.281 24 E C -0.567 175.988 176.600 -0.075 0.000 0.995 24 E CA 0.010 56.356 56.400 -0.089 0.000 0.808 24 E CB 2.138 31.793 29.700 -0.074 0.000 1.093 24 E HN 0.621 nan 8.360 nan 0.000 0.394 25 S N 1.391 117.051 115.700 -0.067 0.000 2.709 25 S HA 0.132 4.602 4.470 -0.000 0.000 0.302 25 S C 0.938 175.514 174.600 -0.040 0.000 1.127 25 S CA -0.604 57.560 58.200 -0.061 0.000 0.905 25 S CB 1.611 64.767 63.200 -0.074 0.000 1.151 25 S HN 0.661 nan 8.310 nan 0.000 0.510 26 E N 1.082 121.263 120.200 -0.031 0.000 2.051 26 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 26 E C 1.058 177.655 176.600 -0.005 0.000 0.991 26 E CA 1.359 57.749 56.400 -0.016 0.000 0.799 26 E CB -0.460 29.233 29.700 -0.010 0.000 0.748 26 E HN 0.708 nan 8.360 nan 0.000 0.449 27 G N -0.328 108.473 108.800 0.001 0.000 3.805 27 G HA2 0.498 4.457 3.960 -0.000 0.000 0.290 27 G HA3 0.498 4.457 3.960 -0.000 0.000 0.290 27 G C -0.039 174.865 174.900 0.006 0.000 1.077 27 G CA 0.204 45.313 45.100 0.016 0.000 0.852 27 G HN 0.483 nan 8.290 nan 0.000 0.531 28 G N -0.738 108.053 108.800 -0.015 0.000 2.320 28 G HA2 0.504 4.464 3.960 -0.000 0.000 0.296 28 G HA3 0.504 4.464 3.960 -0.000 0.000 0.296 28 G C -2.388 172.484 174.900 -0.046 0.000 1.306 28 G CA -0.575 44.510 45.100 -0.025 0.000 0.836 28 G HN 0.804 nan 8.290 nan 0.000 0.517 29 L N -0.584 120.610 121.223 -0.049 0.000 2.434 29 L HA 0.909 5.249 4.340 -0.000 0.000 0.260 29 L C -1.309 175.521 176.870 -0.066 0.000 0.983 29 L CA -0.825 53.977 54.840 -0.063 0.000 0.820 29 L CB 1.961 43.991 42.059 -0.049 0.000 1.361 29 L HN 0.611 nan 8.230 nan 0.000 0.410 30 I N 2.915 123.434 120.570 -0.085 0.000 2.498 30 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 30 I C -0.919 175.141 176.117 -0.095 0.000 1.032 30 I CA -0.469 60.792 61.300 -0.064 0.000 1.073 30 I CB 2.158 40.124 38.000 -0.056 0.000 1.251 30 I HN 0.614 nan 8.210 nan 0.000 0.426 31 E N 4.106 124.267 120.200 -0.064 0.000 2.241 31 E HA 0.400 4.750 4.350 -0.000 0.000 0.263 31 E C -0.902 175.660 176.600 -0.064 0.000 0.882 31 E CA -0.690 55.633 56.400 -0.130 0.000 0.769 31 E CB 2.319 31.916 29.700 -0.171 0.000 1.185 31 E HN 0.654 nan 8.360 nan 0.000 0.415 32 T N -0.787 113.717 114.554 -0.083 0.000 2.945 32 T HA 0.445 4.795 4.350 -0.000 0.000 0.286 32 T C -0.395 174.354 174.700 0.081 0.000 1.025 32 T CA -0.817 61.308 62.100 0.042 0.000 1.039 32 T CB 1.182 69.878 68.868 -0.287 0.000 1.068 32 T HN 0.362 nan 8.240 nan 0.000 0.497 33 W N 1.645 122.999 121.300 0.090 0.000 2.469 33 W HA 0.347 5.007 4.660 -0.000 0.000 0.320 33 W C 0.436 177.070 176.519 0.192 0.000 1.086 33 W CA -0.765 56.642 57.345 0.103 0.000 1.211 33 W CB 1.362 30.844 29.460 0.037 0.000 1.298 33 W HN 0.808 nan 8.180 nan 0.000 0.525 34 N N 0.801 119.761 118.700 0.434 0.000 2.468 34 N HA -0.077 4.663 4.740 -0.000 0.000 0.265 34 N C 1.285 177.020 175.510 0.376 0.000 1.199 34 N CA 0.220 53.481 53.050 0.353 0.000 0.928 34 N CB 0.865 39.483 38.487 0.217 0.000 1.059 34 N HN 0.331 nan 8.380 nan 0.000 0.467 35 S N 2.400 118.245 115.700 0.242 0.000 2.603 35 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 35 S C 1.010 175.669 174.600 0.098 0.000 0.972 35 S CA 0.557 58.836 58.200 0.132 0.000 0.935 35 S CB 0.073 63.288 63.200 0.025 0.000 0.769 35 S HN 0.721 nan 8.310 nan 0.000 0.536 36 Q N 0.231 120.088 119.800 0.095 0.000 2.360 36 Q HA 0.182 4.522 4.340 -0.000 0.000 0.202 36 Q C -0.183 175.834 176.000 0.028 0.000 0.915 36 Q CA -0.088 55.733 55.803 0.030 0.000 0.943 36 Q CB 0.173 28.900 28.738 -0.019 0.000 1.064 36 Q HN 0.683 nan 8.270 nan 0.000 0.511 37 H N 0.802 119.901 119.070 0.048 0.000 2.928 37 H HA -0.028 4.528 4.556 -0.000 0.000 0.338 37 H C -1.641 173.704 175.328 0.028 0.000 1.047 37 H CA -1.012 55.066 56.048 0.050 0.000 1.435 37 H CB 0.934 30.742 29.762 0.078 0.000 1.428 37 H HN 0.034 nan 8.280 nan 0.000 0.590 38 P HA -0.170 nan 4.420 nan 0.000 0.216 38 P C 1.003 178.335 177.300 0.053 0.000 1.150 38 P CA 1.366 64.509 63.100 0.072 0.000 0.843 38 P CB 0.397 32.135 31.700 0.064 0.000 0.787 39 E N -0.806 119.431 120.200 0.063 0.000 2.051 39 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 39 E C 1.862 178.449 176.600 -0.022 0.000 0.991 39 E CA 0.973 57.374 56.400 0.001 0.000 0.799 39 E CB -1.161 28.532 29.700 -0.013 0.000 0.748 39 E HN 0.089 nan 8.360 nan 0.000 0.449 40 L N 0.913 122.141 121.223 0.009 0.000 2.131 40 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 40 L C 2.111 178.967 176.870 -0.022 0.000 1.092 40 L CA 1.692 56.521 54.840 -0.018 0.000 0.759 40 L CB -0.451 41.624 42.059 0.028 0.000 0.903 40 L HN 0.155 nan 8.230 nan 0.000 0.435 41 Q N -2.356 117.447 119.800 0.005 0.000 2.230 41 Q HA -0.186 4.153 4.340 -0.000 0.000 0.202 41 Q C 2.487 178.475 176.000 -0.020 0.000 0.963 41 Q CA 1.335 57.134 55.803 -0.007 0.000 0.866 41 Q CB -0.306 28.438 28.738 0.009 0.000 0.931 41 Q HN 0.645 nan 8.270 nan 0.000 0.452 42 c N 0.133 118.717 118.600 -0.028 0.000 2.466 42 c HA 0.054 4.624 4.570 -0.000 0.000 0.278 42 c C 2.642 176.699 174.090 -0.055 0.000 1.288 42 c CA 1.080 57.383 56.329 -0.042 0.000 1.722 42 c CB -0.735 41.736 42.510 -0.065 0.000 2.017 42 c HN 0.541 nan 8.230 nan 0.000 0.488 43 A N -0.679 122.100 122.820 -0.068 0.000 2.119 43 A HA 0.376 4.696 4.320 -0.000 0.000 0.216 43 A C 1.877 179.424 177.584 -0.062 0.000 1.152 43 A CA 1.438 53.433 52.037 -0.070 0.000 0.708 43 A CB -1.130 17.818 19.000 -0.088 0.000 0.805 43 A HN 1.711 nan 8.150 nan 0.000 0.460 44 G N -0.809 107.953 108.800 -0.063 0.000 2.273 44 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.280 44 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.280 44 G C 0.227 175.056 174.900 -0.117 0.000 1.047 44 G CA 0.964 46.021 45.100 -0.072 0.000 0.869 44 G HN 1.873 nan 8.290 nan 0.000 0.502 45 V N -4.492 115.341 119.914 -0.135 0.000 3.182 45 V HA 1.010 5.130 4.120 -0.000 0.000 0.308 45 V C -0.209 175.773 176.094 -0.187 0.000 1.240 45 V CA -0.007 62.176 62.300 -0.194 0.000 1.063 45 V CB 1.990 33.698 31.823 -0.191 0.000 1.076 45 V HN 1.114 nan 8.190 nan 0.000 0.446 46 T N -0.090 114.326 114.554 -0.229 0.000 2.868 46 T HA 0.768 5.118 4.350 -0.000 0.000 0.306 46 T C -1.530 173.065 174.700 -0.175 0.000 1.224 46 T CA -0.225 61.782 62.100 -0.155 0.000 1.012 46 T CB 1.854 70.629 68.868 -0.155 0.000 1.221 46 T HN 1.064 nan 8.240 nan 0.000 0.499 47 V N 1.933 121.798 119.914 -0.082 0.000 2.960 47 V HA 0.899 5.019 4.120 -0.000 0.000 0.315 47 V C -0.349 175.882 176.094 0.229 0.000 1.087 47 V CA -0.806 61.392 62.300 -0.171 0.000 0.982 47 V CB 2.073 33.484 31.823 -0.686 0.000 1.039 47 V HN 0.916 nan 8.190 nan 0.000 0.437 48 S N 2.161 117.967 115.700 0.178 0.000 2.614 48 S HA 0.467 4.937 4.470 -0.000 0.000 0.275 48 S C -1.074 173.664 174.600 0.230 0.000 1.161 48 S CA -0.731 57.654 58.200 0.308 0.000 0.969 48 S CB 1.178 64.549 63.200 0.285 0.000 1.059 48 S HN 0.796 nan 8.310 nan 0.000 0.482 49 K N 4.613 125.188 120.400 0.292 0.000 2.281 49 K HA 0.452 4.772 4.320 -0.000 0.000 0.272 49 K C -0.568 176.089 176.600 0.095 0.000 1.048 49 K CA -0.534 55.863 56.287 0.183 0.000 0.898 49 K CB 0.523 33.170 32.500 0.245 0.000 1.128 49 K HN 0.632 nan 8.250 nan 0.000 0.460 50 R N 1.914 122.453 120.500 0.066 0.000 2.540 50 R HA 0.369 4.709 4.340 -0.000 0.000 0.287 50 R C -0.727 175.594 176.300 0.035 0.000 0.980 50 R CA -0.631 55.492 56.100 0.039 0.000 0.966 50 R CB 2.053 32.387 30.300 0.057 0.000 1.106 50 R HN 0.460 nan 8.270 nan 0.000 0.480 51 T N 2.915 117.478 114.554 0.014 0.000 2.879 51 T HA 0.428 4.778 4.350 -0.000 0.000 0.290 51 T C -1.127 173.583 174.700 0.016 0.000 0.993 51 T CA -0.683 61.431 62.100 0.024 0.000 0.975 51 T CB 1.067 69.945 68.868 0.016 0.000 0.981 51 T HN 0.145 nan 8.240 nan 0.000 0.439 52 L N 3.884 125.129 121.223 0.037 0.000 2.319 52 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 52 L C 0.503 177.384 176.870 0.018 0.000 1.005 52 L CA -0.521 54.340 54.840 0.036 0.000 0.828 52 L CB 1.115 43.215 42.059 0.067 0.000 1.227 52 L HN 0.561 nan 8.230 nan 0.000 0.415 53 N N 2.066 120.773 118.700 0.011 0.000 2.327 53 N HA 0.323 5.063 4.740 -0.000 0.000 0.257 53 N C -0.258 175.246 175.510 -0.010 0.000 1.281 53 N CA -0.898 52.155 53.050 0.005 0.000 0.942 53 N CB 0.458 38.950 38.487 0.008 0.000 1.199 53 N HN 0.428 nan 8.380 nan 0.000 0.532 54 R N 1.369 121.863 120.500 -0.009 0.000 2.538 54 R HA -0.025 4.315 4.340 -0.000 0.000 0.282 54 R C -0.496 175.803 176.300 -0.003 0.000 1.009 54 R CA 0.193 56.280 56.100 -0.022 0.000 1.063 54 R CB -1.092 29.210 30.300 0.004 0.000 0.945 54 R HN 0.819 nan 8.270 nan 0.000 0.414 55 N N -0.837 117.838 118.700 -0.043 0.000 2.782 55 N HA -0.156 4.583 4.740 -0.000 0.000 0.251 55 N C -0.190 175.414 175.510 0.156 0.000 1.101 55 N CA 1.018 54.123 53.050 0.092 0.000 0.764 55 N CB -0.831 37.758 38.487 0.170 0.000 1.122 55 N HN 0.920 nan 8.380 nan 0.000 0.561 56 G N 0.481 109.292 108.800 0.018 0.000 2.339 56 G HA2 0.474 4.434 3.960 -0.000 0.000 0.287 56 G HA3 0.474 4.434 3.960 -0.000 0.000 0.287 56 G C -0.307 174.727 174.900 0.222 0.000 1.163 56 G CA -0.394 44.766 45.100 0.100 0.000 0.872 56 G HN 0.185 nan 8.290 nan 0.000 0.464 57 L N 4.019 125.425 121.223 0.306 0.000 2.277 57 L HA 0.335 4.675 4.340 -0.000 0.000 0.284 57 L C -0.129 176.916 176.870 0.291 0.000 1.028 57 L CA -0.781 54.272 54.840 0.356 0.000 0.835 57 L CB 0.727 42.925 42.059 0.230 0.000 1.215 57 L HN 0.697 nan 8.230 nan 0.000 0.425 58 H N 5.862 125.053 119.070 0.200 0.000 2.800 58 H HA 0.270 4.826 4.556 -0.000 0.000 0.291 58 H C -0.315 175.096 175.328 0.138 0.000 1.076 58 H CA -0.933 55.200 56.048 0.142 0.000 1.452 58 H CB 0.785 30.619 29.762 0.120 0.000 1.461 58 H HN 0.575 nan 8.280 nan 0.000 0.488 59 L N 6.874 128.303 121.223 0.344 0.000 2.499 59 L HA 0.048 4.388 4.340 -0.000 0.000 0.281 59 L C -1.908 175.024 176.870 0.104 0.000 1.234 59 L CA -1.837 53.127 54.840 0.207 0.000 0.839 59 L CB 0.003 42.187 42.059 0.207 0.000 1.104 59 L HN 0.627 nan 8.230 nan 0.000 0.500 60 P HA 0.022 nan 4.420 nan 0.000 0.264 60 P C -0.860 176.343 177.300 -0.162 0.000 1.193 60 P CA 0.163 63.231 63.100 -0.053 0.000 0.763 60 P CB 0.730 32.458 31.700 0.046 0.000 0.810 61 S N 2.327 117.780 115.700 -0.411 0.000 2.570 61 S HA 0.802 5.272 4.470 -0.000 0.000 0.270 61 S C -1.449 173.022 174.600 -0.215 0.000 1.149 61 S CA -0.816 57.086 58.200 -0.498 0.000 0.837 61 S CB 1.226 63.772 63.200 -1.090 0.000 1.124 61 S HN 0.440 nan 8.310 nan 0.000 0.465 62 Y N -1.342 118.836 120.300 -0.204 0.000 2.609 62 Y HA 0.918 5.467 4.550 -0.000 0.000 0.342 62 Y C -0.702 175.138 175.900 -0.100 0.000 1.058 62 Y CA -1.036 56.989 58.100 -0.125 0.000 1.055 62 Y CB 1.315 39.682 38.460 -0.153 0.000 1.292 62 Y HN 0.750 nan 8.280 nan 0.000 0.476 63 S N 1.238 116.912 115.700 -0.044 0.000 2.564 63 S HA 0.441 4.910 4.470 -0.000 0.000 0.274 63 S C -2.661 171.701 174.600 -0.396 0.000 1.124 63 S CA -1.367 56.660 58.200 -0.290 0.000 0.869 63 S CB 2.406 65.195 63.200 -0.685 0.000 1.105 63 S HN 0.677 nan 8.310 nan 0.000 0.472 64 P HA 0.139 nan 4.420 nan 0.000 0.255 64 P C -0.953 176.232 177.300 -0.190 0.000 1.301 64 P CA 0.315 63.286 63.100 -0.215 0.000 0.817 64 P CB -0.473 31.211 31.700 -0.026 0.000 1.259 65 Y N -2.214 118.042 120.300 -0.074 0.000 2.609 65 Y HA 0.797 5.346 4.550 -0.000 0.000 0.342 65 Y C -2.940 172.840 175.900 -0.200 0.000 1.058 65 Y CA -3.654 54.362 58.100 -0.140 0.000 1.055 65 Y CB 0.112 38.502 38.460 -0.117 0.000 1.292 65 Y HN -0.327 nan 8.280 nan 0.000 0.476 66 P HA 0.199 nan 4.420 nan 0.000 0.282 66 P C -1.735 175.529 177.300 -0.060 0.000 1.249 66 P CA -0.400 62.562 63.100 -0.231 0.000 0.806 66 P CB 1.784 33.254 31.700 -0.383 0.000 0.984 67 Q N 1.873 121.599 119.800 -0.124 0.000 2.356 67 Q HA 0.669 5.009 4.340 -0.000 0.000 0.270 67 Q C -0.971 174.965 176.000 -0.106 0.000 1.058 67 Q CA -1.017 54.736 55.803 -0.082 0.000 0.802 67 Q CB 2.340 31.050 28.738 -0.046 0.000 1.303 67 Q HN 0.389 nan 8.270 nan 0.000 0.444 68 M N 3.979 123.530 119.600 -0.082 0.000 2.205 68 M HA 0.525 5.005 4.480 -0.000 0.000 0.344 68 M C -1.807 174.497 176.300 0.007 0.000 1.085 68 M CA -0.638 54.670 55.300 0.014 0.000 1.001 68 M CB 1.022 33.710 32.600 0.147 0.000 1.626 68 M HN 0.748 nan 8.290 nan 0.000 0.442 69 I N 6.404 126.995 120.570 0.036 0.000 2.418 69 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 69 I C -0.859 175.301 176.117 0.071 0.000 1.008 69 I CA -0.700 60.610 61.300 0.016 0.000 1.104 69 I CB 1.825 39.761 38.000 -0.107 0.000 1.264 69 I HN 0.726 nan 8.210 nan 0.000 0.438 70 I N 6.922 127.575 120.570 0.138 0.000 2.359 70 I HA 0.362 4.532 4.170 -0.000 0.000 0.294 70 I C -0.554 175.572 176.117 0.015 0.000 0.987 70 I CA -0.659 60.686 61.300 0.075 0.000 1.225 70 I CB 1.528 39.588 38.000 0.100 0.000 1.366 70 I HN 0.238 nan 8.210 nan 0.000 0.466 71 V N 8.174 128.072 119.914 -0.027 0.000 2.408 71 V HA 0.046 4.166 4.120 -0.000 0.000 0.267 71 V C 0.966 177.089 176.094 0.048 0.000 1.047 71 V CA -0.055 62.233 62.300 -0.021 0.000 0.937 71 V CB 1.134 32.933 31.823 -0.040 0.000 0.999 71 V HN 0.739 nan 8.190 nan 0.000 0.472 72 V N 1.894 121.855 119.914 0.079 0.000 3.590 72 V HA 0.341 4.461 4.120 -0.000 0.000 0.265 72 V C 0.372 176.531 176.094 0.107 0.000 1.239 72 V CA 0.581 62.950 62.300 0.115 0.000 1.117 72 V CB -0.111 31.819 31.823 0.179 0.000 0.818 72 V HN 0.835 nan 8.190 nan 0.000 0.451 73 Q N -0.342 119.519 119.800 0.101 0.000 2.386 73 Q HA 0.532 4.872 4.340 -0.000 0.000 0.274 73 Q C -0.246 175.816 176.000 0.103 0.000 1.011 73 Q CA 0.186 56.045 55.803 0.094 0.000 0.867 73 Q CB 1.991 30.782 28.738 0.089 0.000 1.409 73 Q HN 0.999 nan 8.270 nan 0.000 0.395 74 G N 2.232 111.084 108.800 0.087 0.000 2.728 74 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.294 74 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.294 74 G C -1.436 173.520 174.900 0.095 0.000 1.342 74 G CA -0.115 45.032 45.100 0.078 0.000 0.866 74 G HN 0.821 nan 8.290 nan 0.000 0.534 75 K N -0.878 119.527 120.400 0.008 0.000 2.527 75 K HA 0.877 5.196 4.320 -0.000 0.000 0.260 75 K C 0.066 176.402 176.600 -0.439 0.000 0.937 75 K CA -0.439 55.758 56.287 -0.150 0.000 0.826 75 K CB 2.112 34.532 32.500 -0.132 0.000 1.359 75 K HN 2.183 nan 8.250 nan 0.000 0.434 76 G N 0.061 108.157 108.800 -1.173 0.000 2.554 76 G HA2 0.665 4.625 3.960 -0.000 0.000 0.306 76 G HA3 0.665 4.625 3.960 -0.000 0.000 0.306 76 G C -1.847 172.113 174.900 -1.566 0.000 1.320 76 G CA -0.608 43.773 45.100 -1.198 0.000 0.800 76 G HN 0.776 nan 8.290 nan 0.000 0.481 77 A N -0.603 121.677 122.820 -0.900 0.000 2.365 77 A HA 0.847 5.167 4.320 -0.000 0.000 0.318 77 A C -0.978 176.417 177.584 -0.315 0.000 1.091 77 A CA -0.658 50.959 52.037 -0.701 0.000 0.763 77 A CB 1.437 20.035 19.000 -0.669 0.000 1.248 77 A HN 1.324 nan 8.150 nan 0.000 0.442 78 I N 0.881 121.243 120.570 -0.346 0.000 2.689 78 I HA 0.802 4.972 4.170 -0.000 0.000 0.299 78 I C -0.031 175.560 176.117 -0.877 0.000 1.059 78 I CA -0.585 60.384 61.300 -0.550 0.000 1.055 78 I CB 2.269 40.114 38.000 -0.258 0.000 1.243 78 I HN 0.753 nan 8.210 nan 0.000 0.425 79 G N 5.745 113.681 108.800 -1.440 0.000 2.732 79 G HA2 0.599 4.558 3.960 -0.000 0.000 0.295 79 G HA3 0.599 4.558 3.960 -0.000 0.000 0.295 79 G C -1.634 172.790 174.900 -0.794 0.000 1.456 79 G CA -0.311 44.184 45.100 -1.008 0.000 1.050 79 G HN 0.401 nan 8.290 nan 0.000 0.525 80 F N 0.849 120.673 119.950 -0.209 0.000 2.457 80 F HA 0.743 5.270 4.527 -0.000 0.000 0.330 80 F C 0.670 176.410 175.800 -0.100 0.000 1.069 80 F CA -0.769 57.117 58.000 -0.191 0.000 1.009 80 F CB 2.520 41.360 39.000 -0.267 0.000 1.276 80 F HN 0.565 nan 8.300 nan 0.000 0.492 81 A N 1.884 124.703 122.820 -0.002 0.000 2.646 81 A HA 0.599 4.919 4.320 -0.000 0.000 0.312 81 A C -1.418 176.112 177.584 -0.089 0.000 1.245 81 A CA -0.406 51.655 52.037 0.039 0.000 0.755 81 A CB -0.563 18.459 19.000 0.036 0.000 1.132 81 A HN 0.536 nan 8.150 nan 0.000 0.458 82 F N 3.694 123.682 119.950 0.065 0.000 2.456 82 F HA 0.351 4.878 4.527 -0.000 0.000 0.358 82 F C -1.431 174.370 175.800 0.002 0.000 1.095 82 F CA -1.580 56.432 58.000 0.020 0.000 1.216 82 F CB 1.030 40.033 39.000 0.006 0.000 1.125 82 F HN 0.386 nan 8.300 nan 0.000 0.549 83 P HA 0.115 nan 4.420 nan 0.000 0.271 83 P C 0.613 177.960 177.300 0.077 0.000 1.233 83 P CA 0.479 63.617 63.100 0.063 0.000 0.764 83 P CB 0.912 32.619 31.700 0.011 0.000 0.825 84 G N 2.301 111.135 108.800 0.057 0.000 2.184 84 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.264 84 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.264 84 G C 0.274 175.204 174.900 0.050 0.000 0.975 84 G CA -0.024 45.103 45.100 0.045 0.000 0.642 84 G HN 0.651 nan 8.290 nan 0.000 0.536 85 c N 2.027 120.673 118.600 0.075 0.000 2.605 85 c HA 0.580 5.150 4.570 -0.000 0.000 0.404 85 c C -1.036 173.090 174.090 0.061 0.000 1.284 85 c CA -1.028 55.337 56.329 0.061 0.000 2.199 85 c CB 0.884 43.441 42.510 0.078 0.000 2.647 85 c HN 0.447 nan 8.230 nan 0.000 0.604 86 P HA 0.258 nan 4.420 nan 0.000 0.276 86 P C -0.862 176.481 177.300 0.072 0.000 1.244 86 P CA -0.218 62.913 63.100 0.052 0.000 0.801 86 P CB 0.439 32.163 31.700 0.039 0.000 1.006 87 E N 0.297 120.542 120.200 0.075 0.000 1.814 87 E HA 0.085 4.435 4.350 -0.000 0.000 0.264 87 E C 0.824 177.484 176.600 0.100 0.000 1.179 87 E CA 0.189 56.645 56.400 0.094 0.000 0.972 87 E CB -0.848 28.904 29.700 0.087 0.000 1.077 87 E HN 0.381 nan 8.360 nan 0.000 0.417 88 T N -0.724 113.914 114.554 0.140 0.000 3.148 88 T HA 0.090 4.439 4.350 -0.000 0.000 0.253 88 T C 0.340 175.224 174.700 0.307 0.000 1.134 88 T CA 0.011 62.223 62.100 0.187 0.000 1.051 88 T CB -0.123 68.860 68.868 0.191 0.000 0.959 88 T HN 0.031 nan 8.240 nan 0.000 0.525 89 F N 2.892 122.792 119.950 -0.085 0.000 2.427 89 F HA 0.593 5.120 4.527 -0.000 0.000 0.346 89 F C 0.255 175.940 175.800 -0.191 0.000 1.120 89 F CA -2.161 55.745 58.000 -0.157 0.000 1.033 89 F CB 1.586 40.413 39.000 -0.289 0.000 1.126 89 F HN 0.361 nan 8.300 nan 0.000 0.462 90 E N 1.532 121.721 120.200 -0.017 0.000 2.390 90 E HA 0.517 4.867 4.350 -0.000 0.000 0.277 90 E C -1.778 174.811 176.600 -0.019 0.000 0.939 90 E CA -1.290 55.101 56.400 -0.015 0.000 0.769 90 E CB 2.813 32.513 29.700 0.001 0.000 1.251 90 E HN 0.435 nan 8.360 nan 0.000 0.450 91 K N 2.599 123.000 120.400 0.003 0.000 2.545 91 K HA 0.421 4.741 4.320 -0.000 0.000 0.252 91 K C -2.706 173.898 176.600 0.005 0.000 0.948 91 K CA -1.904 54.386 56.287 0.006 0.000 0.827 91 K CB 1.642 34.158 32.500 0.027 0.000 1.128 91 K HN 0.367 nan 8.250 nan 0.000 0.429 109 D N 0.698 121.125 120.400 0.044 0.000 2.583 109 D HA 0.724 5.364 4.640 -0.000 0.000 0.248 109 D C -1.554 174.792 176.300 0.078 0.000 1.209 109 D CA 0.057 54.101 54.000 0.073 0.000 0.848 109 D CB 1.969 42.835 40.800 0.110 0.000 1.431 109 D HN 0.435 nan 8.370 nan 0.000 0.436 110 S N 0.253 116.014 115.700 0.102 0.000 2.537 110 S HA 0.844 5.314 4.470 -0.000 0.000 0.270 110 S C -1.216 173.476 174.600 0.153 0.000 1.142 110 S CA -0.752 57.486 58.200 0.063 0.000 0.870 110 S CB 1.578 64.807 63.200 0.049 0.000 1.112 110 S HN 0.769 nan 8.310 nan 0.000 0.466 111 H N -0.634 118.518 119.070 0.136 0.000 2.902 111 H HA 0.587 5.143 4.556 -0.000 0.000 0.297 111 H C -0.990 174.402 175.328 0.106 0.000 1.406 111 H CA -1.105 55.012 56.048 0.115 0.000 1.134 111 H CB 0.257 30.091 29.762 0.121 0.000 1.833 111 H HN 0.631 nan 8.280 nan 0.000 0.527 112 Q N 0.487 120.459 119.800 0.287 0.000 2.407 112 Q HA 0.134 4.474 4.340 -0.000 0.000 0.214 112 Q C -0.186 175.779 176.000 -0.058 0.000 1.043 112 Q CA -0.866 55.019 55.803 0.137 0.000 0.983 112 Q CB 0.883 29.732 28.738 0.185 0.000 1.211 112 Q HN 0.539 nan 8.270 nan 0.000 0.564 113 K N 1.203 121.444 120.400 -0.266 0.000 2.524 113 K HA -0.047 4.272 4.320 -0.000 0.000 0.279 113 K C -0.681 175.684 176.600 -0.391 0.000 0.993 113 K CA 0.143 56.016 56.287 -0.690 0.000 1.030 113 K CB 0.334 32.697 32.500 -0.228 0.000 0.891 113 K HN 0.358 nan 8.250 nan 0.000 0.488 114 I N 5.170 125.452 120.570 -0.479 0.000 2.359 114 I HA 0.261 4.431 4.170 -0.000 0.000 0.294 114 I C 0.363 176.498 176.117 0.030 0.000 0.987 114 I CA -0.378 60.872 61.300 -0.083 0.000 1.225 114 I CB 1.395 39.479 38.000 0.139 0.000 1.366 114 I HN 0.676 nan 8.210 nan 0.000 0.466 115 R N 5.129 125.621 120.500 -0.013 0.000 2.532 115 R HA 0.509 4.849 4.340 -0.000 0.000 0.295 115 R C -0.465 175.780 176.300 -0.092 0.000 0.968 115 R CA -0.712 55.414 56.100 0.043 0.000 0.916 115 R CB 1.914 32.252 30.300 0.063 0.000 1.124 115 R HN 0.552 nan 8.270 nan 0.000 0.463 116 H N 2.264 121.221 119.070 -0.188 0.000 2.499 116 H HA 0.407 4.963 4.556 -0.000 0.000 0.340 116 H C -0.665 174.499 175.328 -0.273 0.000 1.148 116 H CA -0.483 55.395 56.048 -0.283 0.000 1.215 116 H CB 1.719 31.349 29.762 -0.219 0.000 1.529 116 H HN 0.481 nan 8.280 nan 0.000 0.510 117 F N 0.456 120.325 119.950 -0.135 0.000 2.643 117 F HA 0.504 5.031 4.527 -0.000 0.000 0.314 117 F C -1.064 174.708 175.800 -0.046 0.000 1.096 117 F CA -0.991 56.940 58.000 -0.114 0.000 0.953 117 F CB 1.651 40.568 39.000 -0.138 0.000 1.345 117 F HN 0.506 nan 8.300 nan 0.000 0.468 118 N N -0.932 117.949 118.700 0.302 0.000 3.039 118 N HA 0.184 4.924 4.740 -0.000 0.000 0.257 118 N C -1.935 173.693 175.510 0.196 0.000 1.497 118 N CA -1.031 52.143 53.050 0.206 0.000 0.861 118 N CB 1.414 39.948 38.487 0.078 0.000 1.479 118 N HN 0.850 nan 8.380 nan 0.000 0.547 119 E N -0.857 119.417 120.200 0.124 0.000 2.502 119 E HA 0.294 4.644 4.350 -0.000 0.000 0.261 119 E C 0.745 177.360 176.600 0.025 0.000 0.974 119 E CA 0.426 56.873 56.400 0.077 0.000 0.936 119 E CB -0.000 29.737 29.700 0.062 0.000 0.926 119 E HN 0.893 nan 8.360 nan 0.000 0.459 120 G N 2.690 111.477 108.800 -0.021 0.000 2.234 120 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.235 120 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.235 120 G C -0.274 174.581 174.900 -0.075 0.000 0.997 120 G CA 0.129 45.157 45.100 -0.121 0.000 0.623 120 G HN 0.625 nan 8.290 nan 0.000 0.514 121 D N 0.498 120.908 120.400 0.018 0.000 2.341 121 D HA 0.537 5.177 4.640 -0.000 0.000 0.245 121 D C 0.406 176.724 176.300 0.030 0.000 1.106 121 D CA -0.029 54.010 54.000 0.064 0.000 0.905 121 D CB 1.957 42.863 40.800 0.176 0.000 1.202 121 D HN 0.197 nan 8.370 nan 0.000 0.426 122 V N 2.431 122.375 119.914 0.049 0.000 2.547 122 V HA 0.481 4.601 4.120 -0.000 0.000 0.299 122 V C -0.078 176.057 176.094 0.069 0.000 1.040 122 V CA -0.662 61.667 62.300 0.048 0.000 0.913 122 V CB 1.531 33.386 31.823 0.054 0.000 0.992 122 V HN 0.307 nan 8.190 nan 0.000 0.449 123 L N 4.291 125.534 121.223 0.032 0.000 2.388 123 L HA 0.715 5.055 4.340 -0.000 0.000 0.264 123 L C -0.723 176.164 176.870 0.028 0.000 0.998 123 L CA -0.493 54.372 54.840 0.043 0.000 0.817 123 L CB 2.354 44.379 42.059 -0.056 0.000 1.338 123 L HN 0.358 nan 8.230 nan 0.000 0.414 124 V N 3.549 123.498 119.914 0.058 0.000 2.540 124 V HA 0.513 4.633 4.120 -0.000 0.000 0.302 124 V C -0.467 175.603 176.094 -0.040 0.000 1.035 124 V CA -0.544 61.762 62.300 0.009 0.000 0.873 124 V CB 1.980 33.867 31.823 0.107 0.000 0.992 124 V HN 0.400 nan 8.190 nan 0.000 0.428 125 I N 5.949 126.419 120.570 -0.167 0.000 2.339 125 I HA 0.441 4.610 4.170 -0.000 0.000 0.290 125 I C -2.468 173.428 176.117 -0.368 0.000 0.994 125 I CA -2.686 58.508 61.300 -0.178 0.000 1.191 125 I CB 1.536 39.282 38.000 -0.422 0.000 1.343 125 I HN 0.366 nan 8.210 nan 0.000 0.458 126 P HA 0.203 nan 4.420 nan 0.000 0.272 126 P C -2.503 174.545 177.300 -0.420 0.000 1.223 126 P CA -1.214 61.512 63.100 -0.624 0.000 0.784 126 P CB -0.199 31.326 31.700 -0.291 0.000 0.923 127 P HA -0.002 nan 4.420 nan 0.000 0.260 127 P C 0.977 178.165 177.300 -0.187 0.000 1.185 127 P CA 1.534 64.482 63.100 -0.252 0.000 0.763 127 P CB -0.276 31.312 31.700 -0.187 0.000 0.776 128 G N 1.800 110.501 108.800 -0.164 0.000 2.162 128 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 128 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 128 G C 0.080 174.800 174.900 -0.300 0.000 0.976 128 G CA -0.145 44.825 45.100 -0.217 0.000 0.655 128 G HN 0.527 nan 8.290 nan 0.000 0.533 129 V N 2.203 121.998 119.914 -0.198 0.000 2.350 129 V HA 0.434 4.554 4.120 -0.000 0.000 0.276 129 V C -1.623 174.431 176.094 -0.067 0.000 1.028 129 V CA -1.673 60.493 62.300 -0.223 0.000 0.860 129 V CB 1.601 33.220 31.823 -0.340 0.000 0.990 129 V HN 0.101 nan 8.190 nan 0.000 0.453 130 P HA 0.202 nan 4.420 nan 0.000 0.268 130 P C -1.272 176.040 177.300 0.020 0.000 1.204 130 P CA 0.279 63.396 63.100 0.028 0.000 0.768 130 P CB 0.122 31.830 31.700 0.013 0.000 0.842 131 Y N 1.786 121.968 120.300 -0.196 0.000 2.571 131 Y HA 0.817 5.366 4.550 -0.000 0.000 0.341 131 Y C -1.717 174.010 175.900 -0.288 0.000 1.076 131 Y CA -1.364 56.477 58.100 -0.432 0.000 1.029 131 Y CB 1.332 39.376 38.460 -0.693 0.000 1.308 131 Y HN 0.534 nan 8.280 nan 0.000 0.461 132 W N 1.732 122.810 121.300 -0.371 0.000 3.107 132 W HA 0.754 5.414 4.660 -0.000 0.000 0.331 132 W C -1.965 174.487 176.519 -0.112 0.000 1.204 132 W CA -0.783 56.364 57.345 -0.331 0.000 1.184 132 W CB 1.493 30.837 29.460 -0.193 0.000 1.421 132 W HN 0.969 nan 8.180 nan 0.000 0.544 133 T N -0.410 114.301 114.554 0.262 0.000 2.901 133 T HA 0.696 5.046 4.350 -0.000 0.000 0.293 133 T C -1.889 173.144 174.700 0.554 0.000 1.084 133 T CA -0.602 61.664 62.100 0.277 0.000 1.008 133 T CB 2.965 72.003 68.868 0.283 0.000 1.170 133 T HN 0.648 nan 8.240 nan 0.000 0.509 134 Y N 0.693 121.169 120.300 0.293 0.000 2.482 134 Y HA 0.490 5.039 4.550 -0.000 0.000 0.334 134 Y C -0.939 175.018 175.900 0.096 0.000 1.091 134 Y CA -1.068 57.174 58.100 0.236 0.000 1.027 134 Y CB 1.723 40.366 38.460 0.305 0.000 1.306 134 Y HN 1.009 nan 8.280 nan 0.000 0.446 135 N N 2.692 120.968 118.700 -0.707 0.000 2.458 135 N HA 0.181 4.921 4.740 -0.000 0.000 0.270 135 N C 0.352 175.361 175.510 -0.834 0.000 1.102 135 N CA 0.565 53.279 53.050 -0.560 0.000 0.967 135 N CB 0.986 39.293 38.487 -0.301 0.000 1.078 135 N HN 0.837 nan 8.380 nan 0.000 0.471 136 T N -0.139 114.154 114.554 -0.435 0.000 3.023 136 T HA 0.262 4.612 4.350 -0.000 0.000 0.253 136 T C 0.926 175.599 174.700 -0.046 0.000 1.038 136 T CA -0.453 61.543 62.100 -0.174 0.000 0.962 136 T CB 0.420 69.143 68.868 -0.242 0.000 1.018 136 T HN 0.401 nan 8.240 nan 0.000 0.521 137 G N 0.392 109.141 108.800 -0.086 0.000 2.568 137 G HA2 0.459 4.419 3.960 -0.000 0.000 0.293 137 G HA3 0.459 4.419 3.960 -0.000 0.000 0.293 137 G C -0.153 174.742 174.900 -0.007 0.000 1.347 137 G CA -0.415 44.672 45.100 -0.021 0.000 1.039 137 G HN 0.021 nan 8.290 nan 0.000 0.523 138 D N -0.580 119.827 120.400 0.012 0.000 2.144 138 D HA 0.037 4.677 4.640 -0.000 0.000 0.207 138 D C 1.429 177.735 176.300 0.010 0.000 0.970 138 D CA 0.817 54.828 54.000 0.017 0.000 0.853 138 D CB 0.003 40.818 40.800 0.025 0.000 1.007 138 D HN 0.683 nan 8.370 nan 0.000 0.469 139 E N 1.688 121.896 120.200 0.013 0.000 2.392 139 E HA 0.242 4.592 4.350 -0.000 0.000 0.256 139 E C -2.366 174.242 176.600 0.014 0.000 1.145 139 E CA -1.559 54.851 56.400 0.017 0.000 0.929 139 E CB 0.315 30.031 29.700 0.026 0.000 0.998 139 E HN -0.030 nan 8.360 nan 0.000 0.442 140 P HA 0.031 nan 4.420 nan 0.000 0.278 140 P C -0.518 176.810 177.300 0.046 0.000 1.238 140 P CA -0.440 62.676 63.100 0.026 0.000 0.794 140 P CB 0.994 32.710 31.700 0.027 0.000 0.955 141 V N 3.842 123.791 119.914 0.057 0.000 2.432 141 V HA 0.117 4.237 4.120 -0.000 0.000 0.271 141 V C 0.544 176.690 176.094 0.086 0.000 1.046 141 V CA -0.152 62.209 62.300 0.101 0.000 0.945 141 V CB 1.184 33.107 31.823 0.168 0.000 0.992 141 V HN 0.265 nan 8.190 nan 0.000 0.471 142 V N 4.723 124.688 119.914 0.085 0.000 2.448 142 V HA 0.866 4.985 4.120 -0.000 0.000 0.295 142 V C 0.184 176.314 176.094 0.059 0.000 1.025 142 V CA -0.381 61.964 62.300 0.075 0.000 0.859 142 V CB 1.615 33.492 31.823 0.091 0.000 0.988 142 V HN 0.983 nan 8.190 nan 0.000 0.431 143 A N 5.372 128.213 122.820 0.034 0.000 2.422 143 A HA 0.928 5.247 4.320 -0.000 0.000 0.302 143 A C -1.033 176.541 177.584 -0.017 0.000 1.041 143 A CA -0.547 51.487 52.037 -0.005 0.000 0.708 143 A CB 1.559 20.526 19.000 -0.054 0.000 1.257 143 A HN 1.156 nan 8.150 nan 0.000 0.414 144 I N 0.278 120.810 120.570 -0.063 0.000 2.404 144 I HA 0.780 4.949 4.170 -0.000 0.000 0.293 144 I C -0.249 175.802 176.117 -0.111 0.000 0.992 144 I CA -0.201 61.015 61.300 -0.140 0.000 1.149 144 I CB 2.114 39.832 38.000 -0.471 0.000 1.315 144 I HN 0.376 nan 8.210 nan 0.000 0.446 145 S N 7.144 122.759 115.700 -0.142 0.000 2.449 145 S HA 0.544 5.014 4.470 -0.000 0.000 0.310 145 S C -0.859 173.537 174.600 -0.340 0.000 1.096 145 S CA -0.811 57.280 58.200 -0.181 0.000 1.095 145 S CB 1.029 64.194 63.200 -0.059 0.000 1.007 145 S HN 0.781 nan 8.310 nan 0.000 0.474 146 L N 7.086 127.981 121.223 -0.547 0.000 2.261 146 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 146 L C -1.154 175.519 176.870 -0.328 0.000 1.059 146 L CA -0.363 54.100 54.840 -0.627 0.000 0.816 146 L CB 0.287 41.728 42.059 -1.030 0.000 1.191 146 L HN 0.714 nan 8.230 nan 0.000 0.431 147 L N 4.965 126.034 121.223 -0.256 0.000 2.261 147 L HA 0.235 4.575 4.340 -0.000 0.000 0.289 147 L C -0.034 176.619 176.870 -0.362 0.000 1.059 147 L CA -0.447 54.268 54.840 -0.209 0.000 0.816 147 L CB 0.955 42.882 42.059 -0.220 0.000 1.191 147 L HN 0.513 nan 8.230 nan 0.000 0.431 148 D N 1.973 122.211 120.400 -0.271 0.000 2.563 148 D HA 0.045 4.685 4.640 -0.000 0.000 0.222 148 D C 1.494 177.582 176.300 -0.353 0.000 1.145 148 D CA -0.245 53.603 54.000 -0.253 0.000 1.001 148 D CB 0.782 41.512 40.800 -0.116 0.000 1.049 148 D HN 0.625 nan 8.370 nan 0.000 0.515 149 T N -1.507 112.706 114.554 -0.569 0.000 2.962 149 T HA -0.183 4.166 4.350 -0.000 0.000 0.270 149 T C 1.724 176.297 174.700 -0.212 0.000 1.088 149 T CA 1.094 62.859 62.100 -0.557 0.000 1.127 149 T CB -0.266 68.264 68.868 -0.562 0.000 0.883 149 T HN 0.225 nan 8.240 nan 0.000 0.493 150 S N 0.783 116.394 115.700 -0.149 0.000 2.603 150 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 150 S C 0.731 175.320 174.600 -0.019 0.000 0.967 150 S CA -0.629 57.535 58.200 -0.060 0.000 0.920 150 S CB -0.851 62.325 63.200 -0.041 0.000 0.773 150 S HN 0.574 nan 8.310 nan 0.000 0.529 151 N N 1.517 120.186 118.700 -0.053 0.000 2.412 151 N HA -0.032 4.708 4.740 -0.000 0.000 0.254 151 N C 0.959 176.413 175.510 -0.093 0.000 1.232 151 N CA 0.251 53.244 53.050 -0.094 0.000 0.880 151 N CB 0.333 38.715 38.487 -0.176 0.000 1.076 151 N HN 0.409 nan 8.380 nan 0.000 0.458 152 F N 3.310 123.295 119.950 0.059 0.000 2.287 152 F HA -0.098 4.429 4.527 -0.000 0.000 0.301 152 F C 1.556 177.394 175.800 0.063 0.000 1.069 152 F CA 0.735 58.768 58.000 0.054 0.000 1.372 152 F CB -0.426 38.602 39.000 0.046 0.000 1.056 152 F HN 0.411 nan 8.300 nan 0.000 0.523 153 N N 0.673 119.104 118.700 -0.448 0.000 2.459 153 N HA -0.133 4.607 4.740 -0.000 0.000 0.181 153 N C 0.001 175.483 175.510 -0.047 0.000 1.046 153 N CA 0.601 53.529 53.050 -0.203 0.000 0.904 153 N CB -0.498 37.800 38.487 -0.315 0.000 0.964 153 N HN 0.303 nan 8.380 nan 0.000 0.444 154 N N 1.689 120.378 118.700 -0.018 0.000 2.415 154 N HA 0.056 4.796 4.740 -0.000 0.000 0.246 154 N C 0.177 175.728 175.510 0.068 0.000 1.078 154 N CA 0.167 53.252 53.050 0.058 0.000 0.942 154 N CB 0.611 39.170 38.487 0.120 0.000 1.140 154 N HN 0.039 nan 8.380 nan 0.000 0.501 155 Q N 2.772 122.612 119.800 0.067 0.000 2.280 155 Q HA 0.211 4.551 4.340 -0.000 0.000 0.201 155 Q C 0.704 176.746 176.000 0.070 0.000 0.890 155 Q CA 0.050 55.894 55.803 0.069 0.000 0.947 155 Q CB 0.682 29.457 28.738 0.062 0.000 1.081 155 Q HN 0.634 nan 8.270 nan 0.000 0.502 156 L N 0.131 121.405 121.223 0.084 0.000 2.334 156 L HA 0.130 4.469 4.340 -0.000 0.000 0.195 156 L C 0.098 177.013 176.870 0.075 0.000 1.281 156 L CA 0.574 55.468 54.840 0.090 0.000 1.004 156 L CB 0.127 42.261 42.059 0.125 0.000 1.119 156 L HN 0.211 nan 8.230 nan 0.000 0.575 157 D N -3.967 116.480 120.400 0.078 0.000 2.725 157 D HA 0.065 4.705 4.640 -0.000 0.000 0.292 157 D C -0.384 175.937 176.300 0.036 0.000 1.288 157 D CA -0.669 53.361 54.000 0.049 0.000 0.784 157 D CB 0.832 41.655 40.800 0.038 0.000 1.308 157 D HN -0.111 nan 8.370 nan 0.000 0.429 158 Q N -0.629 119.172 119.800 0.002 0.000 2.576 158 Q HA 0.097 4.437 4.340 -0.000 0.000 0.218 158 Q C -0.612 175.353 176.000 -0.059 0.000 0.983 158 Q CA 0.707 56.483 55.803 -0.045 0.000 0.920 158 Q CB -0.654 28.054 28.738 -0.050 0.000 0.973 158 Q HN 0.339 nan 8.270 nan 0.000 0.528 159 N N 1.641 120.334 118.700 -0.012 0.000 2.458 159 N HA 0.141 4.880 4.740 -0.000 0.000 0.270 159 N C -2.626 172.891 175.510 0.012 0.000 1.102 159 N CA -1.396 51.646 53.050 -0.013 0.000 0.967 159 N CB 0.808 39.301 38.487 0.011 0.000 1.078 159 N HN -0.007 nan 8.380 nan 0.000 0.471 160 P HA -0.015 nan 4.420 nan 0.000 0.261 160 P C -0.776 176.603 177.300 0.133 0.000 1.183 160 P CA 0.518 63.634 63.100 0.027 0.000 0.761 160 P CB 0.618 32.155 31.700 -0.272 0.000 0.785 161 R N 1.819 122.469 120.500 0.250 0.000 2.686 161 R HA 0.664 5.004 4.340 -0.000 0.000 0.286 161 R C -1.079 175.237 176.300 0.025 0.000 0.969 161 R CA -1.080 55.055 56.100 0.059 0.000 0.898 161 R CB 2.310 32.654 30.300 0.074 0.000 1.183 161 R HN 0.206 nan 8.270 nan 0.000 0.456 162 V N 3.647 123.495 119.914 -0.110 0.000 2.488 162 V HA 0.382 4.501 4.120 -0.000 0.000 0.293 162 V C -1.184 174.742 176.094 -0.280 0.000 1.027 162 V CA -0.808 61.418 62.300 -0.124 0.000 0.862 162 V CB 1.335 33.147 31.823 -0.018 0.000 1.008 162 V HN 0.558 nan 8.190 nan 0.000 0.428 163 F N 4.179 123.806 119.950 -0.539 0.000 2.391 163 F HA 0.580 5.107 4.527 -0.000 0.000 0.359 163 F C -0.007 175.423 175.800 -0.617 0.000 1.122 163 F CA -0.763 56.875 58.000 -0.604 0.000 1.120 163 F CB 0.727 39.051 39.000 -1.126 0.000 1.142 163 F HN 0.368 nan 8.300 nan 0.000 0.483 164 Y N 3.279 123.528 120.300 -0.085 0.000 2.308 164 Y HA 0.298 4.848 4.550 -0.000 0.000 0.329 164 Y C 0.991 176.917 175.900 0.044 0.000 1.111 164 Y CA -0.347 57.737 58.100 -0.027 0.000 1.179 164 Y CB 1.234 39.687 38.460 -0.011 0.000 1.201 164 Y HN 0.510 nan 8.280 nan 0.000 0.483 165 L N 2.515 123.865 121.223 0.212 0.000 2.529 165 L HA 0.340 4.679 4.340 -0.000 0.000 0.223 165 L C 0.659 177.629 176.870 0.167 0.000 1.113 165 L CA 0.249 55.207 54.840 0.196 0.000 0.861 165 L CB -0.025 42.131 42.059 0.162 0.000 1.012 165 L HN 0.657 nan 8.230 nan 0.000 0.461 166 A N -1.147 121.779 122.820 0.175 0.000 2.569 166 A HA 0.736 5.056 4.320 -0.000 0.000 0.290 166 A C 0.061 177.690 177.584 0.074 0.000 1.136 166 A CA -0.031 52.071 52.037 0.110 0.000 0.710 166 A CB 0.777 19.818 19.000 0.069 0.000 1.303 166 A HN 0.181 nan 8.150 nan 0.000 0.413 167 G N 0.013 108.825 108.800 0.020 0.000 2.750 167 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.228 167 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.228 167 G C -0.646 174.214 174.900 -0.066 0.000 1.367 167 G CA 0.020 45.096 45.100 -0.040 0.000 0.871 167 G HN 1.339 nan 8.290 nan 0.000 0.560 168 N N 1.904 120.541 118.700 -0.104 0.000 2.573 168 N HA 0.582 5.321 4.740 -0.000 0.000 0.262 168 N C -2.736 172.677 175.510 -0.162 0.000 1.029 168 N CA -1.050 51.940 53.050 -0.100 0.000 0.882 168 N CB 2.979 41.430 38.487 -0.061 0.000 1.204 168 N HN 0.557 nan 8.380 nan 0.000 0.519 169 P HA 0.327 nan 4.420 nan 0.000 0.287 169 P C -1.046 176.173 177.300 -0.135 0.000 1.270 169 P CA -0.428 62.503 63.100 -0.282 0.000 0.844 169 P CB 1.598 32.962 31.700 -0.561 0.000 1.068 170 D N 1.330 121.669 120.400 -0.102 0.000 2.264 170 D HA 0.260 4.899 4.640 -0.000 0.000 0.249 170 D C 0.422 176.723 176.300 0.002 0.000 1.070 170 D CA -0.184 53.795 54.000 -0.034 0.000 0.912 170 D CB 0.568 41.360 40.800 -0.013 0.000 1.193 170 D HN 0.175 nan 8.370 nan 0.000 0.427 171 I N 2.152 122.737 120.570 0.026 0.000 2.533 171 I HA -0.018 4.151 4.170 -0.000 0.000 0.284 171 I C 1.640 177.811 176.117 0.090 0.000 1.109 171 I CA 0.341 61.668 61.300 0.046 0.000 1.412 171 I CB 0.306 38.311 38.000 0.008 0.000 1.396 171 I HN 0.426 nan 8.210 nan 0.000 0.543 172 E N 3.918 124.186 120.200 0.114 0.000 2.107 172 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 172 E C -0.110 176.447 176.600 -0.071 0.000 0.982 172 E CA 1.142 57.595 56.400 0.088 0.000 0.809 172 E CB 0.084 29.869 29.700 0.142 0.000 0.756 172 E HN 0.569 nan 8.360 nan 0.000 0.459 173 H N -0.286 118.824 119.070 0.067 0.000 2.439 173 H HA 0.138 4.694 4.556 -0.000 0.000 0.239 173 H C -2.006 173.284 175.328 -0.063 0.000 1.432 173 H CA -1.804 54.254 56.048 0.016 0.000 1.373 173 H CB 0.944 30.735 29.762 0.048 0.000 1.463 173 H HN 0.079 nan 8.280 nan 0.000 0.530 174 P HA -0.124 nan 4.420 nan 0.000 0.231 174 P C 1.504 178.753 177.300 -0.085 0.000 1.168 174 P CA 0.538 63.552 63.100 -0.144 0.000 0.779 174 P CB 0.524 32.044 31.700 -0.300 0.000 0.844 175 E N 0.737 120.902 120.200 -0.057 0.000 2.153 175 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 175 E C 0.498 177.094 176.600 -0.007 0.000 0.988 175 E CA 1.578 57.962 56.400 -0.025 0.000 0.811 175 E CB -1.591 28.114 29.700 0.009 0.000 0.746 175 E HN 0.249 nan 8.360 nan 0.000 0.466 176 T N -1.751 112.812 114.554 0.015 0.000 3.540 176 T HA 0.526 4.876 4.350 -0.000 0.000 0.269 176 T C 0.769 175.470 174.700 0.001 0.000 1.481 176 T CA -0.465 61.641 62.100 0.010 0.000 1.224 176 T CB 0.270 69.149 68.868 0.019 0.000 1.192 176 T HN 0.113 nan 8.240 nan 0.000 0.756 177 M N -0.496 119.097 119.600 -0.012 0.000 1.794 177 M HA 0.165 4.645 4.480 -0.000 0.000 0.292 177 M C -0.105 176.183 176.300 -0.020 0.000 0.966 177 M CA -0.020 55.269 55.300 -0.019 0.000 1.072 177 M CB 0.846 33.430 32.600 -0.028 0.000 2.031 177 M HN 0.279 nan 8.290 nan 0.000 0.719 201 G N 0.143 108.919 108.800 -0.040 0.000 2.827 201 G HA2 0.763 4.722 3.960 -0.000 0.000 0.296 201 G HA3 0.763 4.722 3.960 -0.000 0.000 0.296 201 G C -0.751 174.125 174.900 -0.039 0.000 1.362 201 G CA -0.165 44.912 45.100 -0.038 0.000 0.809 201 G HN 0.574 nan 8.290 nan 0.000 0.522 202 G N -0.850 107.934 108.800 -0.026 0.000 3.013 202 G HA2 0.659 4.619 3.960 -0.000 0.000 0.278 202 G HA3 0.659 4.619 3.960 -0.000 0.000 0.278 202 G C 0.202 175.116 174.900 0.022 0.000 1.353 202 G CA 0.480 45.575 45.100 -0.008 0.000 1.043 202 G HN 1.398 nan 8.290 nan 0.000 0.523 203 S N -1.522 114.212 115.700 0.058 0.000 2.655 203 S HA 0.277 4.747 4.470 -0.000 0.000 0.265 203 S C 1.599 176.282 174.600 0.139 0.000 1.240 203 S CA 0.141 58.416 58.200 0.124 0.000 0.986 203 S CB 1.315 64.598 63.200 0.137 0.000 0.985 203 S HN 1.490 nan 8.310 nan 0.000 0.562 204 V N -0.877 119.155 119.914 0.197 0.000 2.970 204 V HA 0.077 4.197 4.120 -0.000 0.000 0.260 204 V C 1.656 177.928 176.094 0.296 0.000 1.100 204 V CA 1.063 63.502 62.300 0.233 0.000 1.122 204 V CB -1.206 30.816 31.823 0.333 0.000 0.721 204 V HN 0.797 nan 8.190 nan 0.000 0.483 205 L N 1.518 122.931 121.223 0.318 0.000 2.418 205 L HA 0.006 4.346 4.340 -0.000 0.000 0.218 205 L C 2.811 179.881 176.870 0.334 0.000 1.125 205 L CA 1.202 56.296 54.840 0.423 0.000 0.835 205 L CB -0.324 41.936 42.059 0.335 0.000 0.953 205 L HN 0.610 nan 8.230 nan 0.000 0.454 206 S N -0.445 115.368 115.700 0.189 0.000 2.447 206 S HA -0.083 4.386 4.470 -0.000 0.000 0.233 206 S C 1.870 176.509 174.600 0.066 0.000 1.006 206 S CA 0.850 59.122 58.200 0.119 0.000 0.957 206 S CB -0.509 62.734 63.200 0.072 0.000 0.773 206 S HN 0.397 nan 8.310 nan 0.000 0.507 207 G N -0.187 108.609 108.800 -0.006 0.000 2.848 207 G HA2 0.265 4.225 3.960 -0.000 0.000 0.208 207 G HA3 0.265 4.225 3.960 -0.000 0.000 0.208 207 G C -0.073 174.647 174.900 -0.299 0.000 1.152 207 G CA -0.134 44.863 45.100 -0.172 0.000 0.789 207 G HN 0.453 nan 8.290 nan 0.000 0.531 208 F N 0.898 120.902 119.950 0.090 0.000 2.492 208 F HA 0.465 4.991 4.527 -0.000 0.000 0.327 208 F C 0.914 176.779 175.800 0.109 0.000 1.079 208 F CA -1.370 56.698 58.000 0.113 0.000 0.967 208 F CB 1.821 40.939 39.000 0.197 0.000 1.169 208 F HN -0.026 nan 8.300 nan 0.000 0.472 209 S N 1.552 117.433 115.700 0.302 0.000 2.593 209 S HA 0.147 4.617 4.470 -0.000 0.000 0.269 209 S C 1.080 175.810 174.600 0.217 0.000 1.334 209 S CA -0.607 57.722 58.200 0.215 0.000 1.015 209 S CB 0.850 64.166 63.200 0.192 0.000 0.912 209 S HN 0.826 nan 8.310 nan 0.000 0.541 210 K N 0.345 120.841 120.400 0.161 0.000 2.209 210 K HA -0.234 4.086 4.320 -0.000 0.000 0.204 210 K C 1.718 178.393 176.600 0.124 0.000 1.048 210 K CA 1.738 58.100 56.287 0.126 0.000 0.940 210 K CB -0.546 32.016 32.500 0.102 0.000 0.729 210 K HN 0.794 nan 8.250 nan 0.000 0.451 211 H N 0.533 119.645 119.070 0.071 0.000 2.299 211 H HA -0.094 4.462 4.556 -0.000 0.000 0.302 211 H C 1.710 177.071 175.328 0.055 0.000 1.078 211 H CA 2.000 58.082 56.048 0.057 0.000 1.323 211 H CB -0.344 29.463 29.762 0.074 0.000 1.381 211 H HN 0.312 nan 8.280 nan 0.000 0.498 212 F N -0.495 119.411 119.950 -0.072 0.000 2.186 212 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 212 F C 1.865 177.479 175.800 -0.309 0.000 1.090 212 F CA 0.604 58.500 58.000 -0.174 0.000 1.307 212 F CB -0.103 38.877 39.000 -0.033 0.000 1.019 212 F HN 0.190 nan 8.300 nan 0.000 0.489 213 L N 0.461 121.484 121.223 -0.334 0.000 2.093 213 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 213 L C 2.598 179.131 176.870 -0.562 0.000 1.085 213 L CA 1.751 56.217 54.840 -0.624 0.000 0.755 213 L CB -1.390 40.526 42.059 -0.237 0.000 0.904 213 L HN 0.215 nan 8.230 nan 0.000 0.435 214 A N -1.557 121.081 122.820 -0.304 0.000 1.930 214 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 214 A C 2.171 179.582 177.584 -0.289 0.000 1.175 214 A CA 1.347 53.258 52.037 -0.210 0.000 0.627 214 A CB -0.319 18.604 19.000 -0.129 0.000 0.815 214 A HN 0.545 nan 8.150 nan 0.000 0.443 215 Q N -0.598 118.949 119.800 -0.421 0.000 2.049 215 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 215 Q C 2.422 178.165 176.000 -0.428 0.000 0.971 215 Q CA 1.524 57.094 55.803 -0.387 0.000 0.833 215 Q CB -0.237 28.263 28.738 -0.398 0.000 0.896 215 Q HN 0.601 nan 8.270 nan 0.000 0.434 216 S N 0.405 115.663 115.700 -0.737 0.000 2.383 216 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 216 S C 1.205 175.575 174.600 -0.384 0.000 1.030 216 S CA 1.194 58.928 58.200 -0.777 0.000 1.002 216 S CB -0.100 62.277 63.200 -1.371 0.000 0.829 216 S HN 0.332 nan 8.310 nan 0.000 0.467 217 F N 1.260 121.056 119.950 -0.257 0.000 2.639 217 F HA 0.318 4.845 4.527 -0.000 0.000 0.302 217 F C 0.276 176.001 175.800 -0.125 0.000 1.097 217 F CA -0.686 57.214 58.000 -0.166 0.000 1.294 217 F CB -0.107 38.809 39.000 -0.140 0.000 1.027 217 F HN 0.029 nan 8.300 nan 0.000 0.550 218 N N 1.867 120.566 118.700 -0.002 0.000 2.686 218 N HA -0.195 4.545 4.740 -0.000 0.000 0.261 218 N C -0.081 175.431 175.510 0.004 0.000 1.001 218 N CA 1.013 54.050 53.050 -0.020 0.000 0.764 218 N CB -1.241 37.239 38.487 -0.012 0.000 0.898 218 N HN 0.343 nan 8.380 nan 0.000 0.544 219 T N -0.482 114.074 114.554 0.003 0.000 2.864 219 T HA 0.376 4.726 4.350 -0.000 0.000 0.289 219 T C -0.205 174.494 174.700 -0.001 0.000 1.082 219 T CA -0.817 61.292 62.100 0.016 0.000 1.009 219 T CB 1.464 70.367 68.868 0.058 0.000 1.234 219 T HN 0.418 nan 8.240 nan 0.000 0.526 220 N N 0.853 119.559 118.700 0.010 0.000 2.379 220 N HA 0.248 4.988 4.740 -0.000 0.000 0.260 220 N C 0.556 176.078 175.510 0.019 0.000 1.254 220 N CA -0.682 52.374 53.050 0.011 0.000 0.958 220 N CB 0.932 39.427 38.487 0.014 0.000 1.208 220 N HN 0.612 nan 8.380 nan 0.000 0.532 221 E N -0.476 119.741 120.200 0.029 0.000 2.274 221 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 221 E C 0.974 177.599 176.600 0.041 0.000 0.996 221 E CA 0.633 57.058 56.400 0.043 0.000 0.840 221 E CB -0.089 29.648 29.700 0.061 0.000 0.772 221 E HN 0.632 nan 8.360 nan 0.000 0.491 222 D N 0.491 120.910 120.400 0.032 0.000 2.117 222 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 222 D C 1.557 177.876 176.300 0.032 0.000 0.987 222 D CA 1.202 55.219 54.000 0.029 0.000 0.829 222 D CB 0.319 41.131 40.800 0.020 0.000 0.961 222 D HN 0.038 nan 8.370 nan 0.000 0.460 223 T N 0.283 114.857 114.554 0.033 0.000 2.809 223 T HA 0.062 4.412 4.350 -0.000 0.000 0.260 223 T C 2.047 176.784 174.700 0.062 0.000 1.039 223 T CA 1.227 63.351 62.100 0.040 0.000 1.141 223 T CB -0.283 68.606 68.868 0.036 0.000 0.869 223 T HN 0.253 nan 8.240 nan 0.000 0.437 224 A N 1.510 124.368 122.820 0.064 0.000 1.978 224 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 224 A C 2.200 179.834 177.584 0.082 0.000 1.170 224 A CA 1.863 53.945 52.037 0.075 0.000 0.636 224 A CB -0.534 18.483 19.000 0.029 0.000 0.810 224 A HN 0.617 nan 8.150 nan 0.000 0.448 225 E N 0.079 120.320 120.200 0.067 0.000 2.072 225 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 225 E C 1.712 178.349 176.600 0.061 0.000 0.982 225 E CA 1.152 57.591 56.400 0.065 0.000 0.803 225 E CB -0.139 29.592 29.700 0.051 0.000 0.755 225 E HN 0.609 nan 8.360 nan 0.000 0.453 226 K N 0.268 120.700 120.400 0.053 0.000 2.365 226 K HA -0.015 4.304 4.320 -0.000 0.000 0.199 226 K C 2.019 178.652 176.600 0.056 0.000 1.045 226 K CA 0.409 56.722 56.287 0.044 0.000 0.962 226 K CB 0.075 32.593 32.500 0.030 0.000 0.759 226 K HN 0.252 nan 8.250 nan 0.000 0.469 227 L N 0.178 121.451 121.223 0.083 0.000 2.478 227 L HA -0.028 4.312 4.340 -0.000 0.000 0.223 227 L C 1.868 178.812 176.870 0.123 0.000 1.140 227 L CA 0.610 55.515 54.840 0.109 0.000 0.842 227 L CB -0.136 42.024 42.059 0.169 0.000 0.953 227 L HN 0.086 nan 8.230 nan 0.000 0.452 228 R N -0.586 119.980 120.500 0.110 0.000 2.276 228 R HA 0.104 4.444 4.340 -0.000 0.000 0.196 228 R C 0.525 176.869 176.300 0.075 0.000 0.961 228 R CA 0.167 56.332 56.100 0.109 0.000 1.024 228 R CB 0.170 30.532 30.300 0.103 0.000 0.940 228 R HN 0.098 nan 8.270 nan 0.000 0.480 229 S N 0.502 116.237 115.700 0.057 0.000 3.711 229 S HA -0.073 4.396 4.470 -0.000 0.000 0.374 229 S C -1.899 172.715 174.600 0.022 0.000 0.969 229 S CA 0.204 58.424 58.200 0.033 0.000 1.198 229 S CB -0.740 62.476 63.200 0.027 0.000 0.903 229 S HN 0.272 nan 8.310 nan 0.000 0.493 230 P HA -0.046 nan 4.420 nan 0.000 0.214 230 P C 0.391 177.696 177.300 0.009 0.000 1.163 230 P CA 1.265 64.377 63.100 0.020 0.000 0.883 230 P CB 0.133 31.847 31.700 0.023 0.000 0.788 231 D N -0.955 119.448 120.400 0.005 0.000 2.963 231 D HA 0.096 4.736 4.640 -0.000 0.000 0.361 231 D C -0.672 175.625 176.300 -0.006 0.000 1.317 231 D CA -0.114 53.885 54.000 -0.001 0.000 0.832 231 D CB -0.032 40.767 40.800 -0.000 0.000 1.135 231 D HN 0.065 nan 8.370 nan 0.000 0.476 232 D N 0.911 121.305 120.400 -0.009 0.000 2.373 232 D HA 0.132 4.772 4.640 -0.000 0.000 0.227 232 D C 0.481 176.766 176.300 -0.025 0.000 1.091 232 D CA -0.146 53.844 54.000 -0.016 0.000 0.840 232 D CB 1.038 41.829 40.800 -0.015 0.000 1.060 232 D HN 0.048 nan 8.370 nan 0.000 0.502 233 E N 2.236 122.422 120.200 -0.024 0.000 2.476 233 E HA 0.133 4.483 4.350 -0.000 0.000 0.196 233 E C 1.338 177.918 176.600 -0.034 0.000 1.029 233 E CA -0.116 56.267 56.400 -0.029 0.000 0.896 233 E CB 0.716 30.402 29.700 -0.022 0.000 1.012 233 E HN 0.320 nan 8.360 nan 0.000 0.475 234 R N 1.177 121.656 120.500 -0.035 0.000 2.193 234 R HA 0.061 4.401 4.340 -0.000 0.000 0.213 234 R C 0.205 176.473 176.300 -0.053 0.000 1.055 234 R CA 0.532 56.611 56.100 -0.035 0.000 0.995 234 R CB -0.215 30.070 30.300 -0.025 0.000 0.893 234 R HN -0.043 nan 8.270 nan 0.000 0.459 235 K N -1.034 119.321 120.400 -0.075 0.000 1.292 235 K HA -0.223 4.097 4.320 -0.000 0.000 0.815 235 K C 0.896 177.405 176.600 -0.152 0.000 2.082 235 K CA 1.019 57.235 56.287 -0.118 0.000 1.348 235 K CB -0.758 31.678 32.500 -0.106 0.000 2.536 235 K HN 0.207 nan 8.250 nan 0.000 0.273 236 Q N 0.905 120.564 119.800 -0.234 0.000 2.364 236 Q HA -0.061 4.279 4.340 -0.000 0.000 0.209 236 Q C 0.591 176.571 176.000 -0.033 0.000 0.977 236 Q CA 1.593 57.246 55.803 -0.250 0.000 0.885 236 Q CB -0.059 28.434 28.738 -0.407 0.000 0.941 236 Q HN 0.487 nan 8.270 nan 0.000 0.464 237 I N 2.358 122.897 120.570 -0.053 0.000 2.439 237 I HA 0.268 4.438 4.170 -0.000 0.000 0.283 237 I C -0.371 175.754 176.117 0.014 0.000 1.023 237 I CA -1.216 60.085 61.300 0.002 0.000 1.100 237 I CB 2.007 39.974 38.000 -0.055 0.000 1.238 237 I HN -0.085 nan 8.210 nan 0.000 0.445 238 V N 1.886 121.831 119.914 0.050 0.000 2.975 238 V HA 0.651 4.771 4.120 -0.000 0.000 0.318 238 V C 0.093 176.229 176.094 0.070 0.000 1.077 238 V CA -0.292 62.032 62.300 0.041 0.000 1.000 238 V CB 1.764 33.605 31.823 0.028 0.000 1.066 238 V HN 0.623 nan 8.190 nan 0.000 0.452 239 T N 2.258 116.846 114.554 0.057 0.000 2.875 239 T HA 0.585 4.935 4.350 -0.000 0.000 0.284 239 T C -0.334 174.415 174.700 0.082 0.000 0.995 239 T CA -0.241 61.906 62.100 0.078 0.000 1.060 239 T CB 1.386 70.285 68.868 0.052 0.000 0.967 239 T HN 0.713 nan 8.240 nan 0.000 0.476 240 V N 3.493 123.486 119.914 0.132 0.000 2.313 240 V HA 0.293 4.412 4.120 -0.000 0.000 0.278 240 V C 0.381 176.531 176.094 0.092 0.000 1.017 240 V CA -0.760 61.601 62.300 0.100 0.000 0.823 240 V CB 0.980 32.879 31.823 0.127 0.000 1.010 240 V HN 0.845 nan 8.190 nan 0.000 0.443 241 E N 3.274 123.501 120.200 0.046 0.000 2.290 241 E HA 0.475 4.825 4.350 -0.000 0.000 0.277 241 E C 1.198 177.811 176.600 0.021 0.000 1.035 241 E CA 0.935 57.356 56.400 0.035 0.000 0.873 241 E CB 0.865 30.576 29.700 0.018 0.000 1.029 241 E HN 0.881 nan 8.360 nan 0.000 0.419 242 G N 2.951 111.768 108.800 0.028 0.000 2.956 242 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.210 242 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.210 242 G C 0.484 175.397 174.900 0.022 0.000 1.316 242 G CA -0.299 44.807 45.100 0.010 0.000 0.819 242 G HN 1.408 nan 8.290 nan 0.000 0.544 243 G N -1.164 107.654 108.800 0.030 0.000 2.326 243 G HA2 0.509 4.468 3.960 -0.000 0.000 0.413 243 G HA3 0.509 4.468 3.960 -0.000 0.000 0.413 243 G C -1.434 173.424 174.900 -0.069 0.000 1.444 243 G CA 0.074 45.211 45.100 0.063 0.000 1.002 243 G HN 1.552 nan 8.290 nan 0.000 0.649 244 L N 1.156 122.294 121.223 -0.142 0.000 2.322 244 L HA 0.871 5.211 4.340 -0.000 0.000 0.279 244 L C 0.532 177.199 176.870 -0.338 0.000 1.036 244 L CA -0.024 54.608 54.840 -0.347 0.000 0.807 244 L CB 1.947 43.498 42.059 -0.848 0.000 1.226 244 L HN 1.369 nan 8.230 nan 0.000 0.433 245 S N 4.528 120.048 115.700 -0.301 0.000 2.677 245 S HA 0.765 5.234 4.470 -0.000 0.000 0.283 245 S C -0.677 173.868 174.600 -0.092 0.000 1.159 245 S CA -0.437 57.539 58.200 -0.375 0.000 1.001 245 S CB 0.992 63.975 63.200 -0.361 0.000 1.032 245 S HN 0.821 nan 8.310 nan 0.000 0.487 246 V N 0.381 120.383 119.914 0.147 0.000 3.158 246 V HA 0.722 4.841 4.120 -0.000 0.000 0.315 246 V C -0.289 176.071 176.094 0.444 0.000 1.148 246 V CA -1.558 60.912 62.300 0.283 0.000 1.042 246 V CB 1.072 33.066 31.823 0.285 0.000 1.101 246 V HN 0.889 nan 8.190 nan 0.000 0.448 247 I N 2.719 123.664 120.570 0.625 0.000 2.379 247 I HA 0.539 4.709 4.170 -0.000 0.000 0.290 247 I C 0.393 176.896 176.117 0.644 0.000 1.063 247 I CA 0.788 62.380 61.300 0.486 0.000 1.351 247 I CB 0.868 39.055 38.000 0.311 0.000 1.410 247 I HN 0.819 nan 8.210 nan 0.000 0.505 248 S N 6.408 122.405 115.700 0.495 0.000 2.535 248 S HA 0.497 4.966 4.470 -0.000 0.000 0.272 248 S C -2.018 172.748 174.600 0.275 0.000 1.149 248 S CA -0.948 57.564 58.200 0.520 0.000 0.888 248 S CB 1.661 65.246 63.200 0.642 0.000 1.110 248 S HN 0.374 nan 8.310 nan 0.000 0.463 249 P HA 0.072 nan 4.420 nan 0.000 0.217 249 P C -0.178 177.166 177.300 0.073 0.000 1.151 249 P CA 0.782 63.915 63.100 0.055 0.000 0.828 249 P CB 0.193 31.890 31.700 -0.006 0.000 0.788 250 K N -0.389 120.039 120.400 0.046 0.000 2.360 250 K HA 0.193 4.513 4.320 -0.000 0.000 0.235 250 K C -1.540 175.164 176.600 0.174 0.000 1.077 250 K CA -0.374 55.912 56.287 -0.003 0.000 1.035 250 K CB -0.049 32.315 32.500 -0.227 0.000 1.623 250 K HN -0.010 nan 8.250 nan 0.000 0.462 322 V N -0.147 119.773 119.914 0.010 0.000 6.448 322 V HA 0.611 4.731 4.120 -0.000 0.000 0.273 322 V C 0.315 176.413 176.094 0.006 0.000 1.610 322 V CA 0.109 62.412 62.300 0.006 0.000 0.593 322 V CB 0.625 32.445 31.823 -0.004 0.000 1.480 322 V HN 0.572 nan 8.190 nan 0.000 0.367 323 E N -0.725 119.468 120.200 -0.012 0.000 2.179 323 E HA 0.341 4.691 4.350 -0.000 0.000 0.275 323 E C 0.208 176.788 176.600 -0.034 0.000 0.945 323 E CA -0.075 56.306 56.400 -0.031 0.000 0.792 323 E CB 1.729 31.394 29.700 -0.058 0.000 1.125 323 E HN 0.493 nan 8.360 nan 0.000 0.397 324 E N 1.606 121.788 120.200 -0.030 0.000 2.442 324 E HA 0.033 4.383 4.350 -0.000 0.000 0.195 324 E C 0.095 176.667 176.600 -0.047 0.000 1.030 324 E CA 0.304 56.687 56.400 -0.028 0.000 0.869 324 E CB 0.321 30.009 29.700 -0.019 0.000 0.857 324 E HN 0.448 nan 8.360 nan 0.000 0.505 325 N N 0.385 119.048 118.700 -0.061 0.000 1.785 325 N HA 0.088 4.828 4.740 -0.000 0.000 0.230 325 N C 1.370 176.808 175.510 -0.121 0.000 1.188 325 N CA -0.507 52.498 53.050 -0.076 0.000 0.977 325 N CB 0.001 38.451 38.487 -0.062 0.000 1.309 325 N HN -0.139 nan 8.380 nan 0.000 0.396 326 I N 1.395 121.888 120.570 -0.128 0.000 2.185 326 I HA -0.269 3.900 4.170 -0.000 0.000 0.246 326 I C 1.553 177.475 176.117 -0.326 0.000 1.088 326 I CA 1.406 62.599 61.300 -0.179 0.000 1.347 326 I CB -0.181 37.753 38.000 -0.110 0.000 1.041 326 I HN 0.463 nan 8.210 nan 0.000 0.415 327 c N -0.691 117.741 118.600 -0.280 0.000 2.472 327 c HA 0.018 4.588 4.570 -0.000 0.000 0.278 327 c C 2.193 176.008 174.090 -0.458 0.000 1.447 327 c CA 1.154 57.251 56.329 -0.387 0.000 1.773 327 c CB -1.659 40.753 42.510 -0.163 0.000 1.793 327 c HN 0.599 nan 8.230 nan 0.000 0.544 328 T N 0.147 114.504 114.554 -0.328 0.000 3.170 328 T HA 0.220 4.570 4.350 -0.000 0.000 0.288 328 T C 0.391 174.969 174.700 -0.204 0.000 0.992 328 T CA -0.286 61.679 62.100 -0.225 0.000 0.909 328 T CB -0.296 68.518 68.868 -0.090 0.000 1.133 328 T HN 0.544 nan 8.240 nan 0.000 0.530 329 M N 2.314 121.745 119.600 -0.281 0.000 2.209 329 M HA 0.032 4.512 4.480 -0.000 0.000 0.361 329 M C 0.092 176.315 176.300 -0.128 0.000 1.211 329 M CA 0.641 55.823 55.300 -0.196 0.000 0.899 329 M CB 0.346 32.807 32.600 -0.232 0.000 1.817 329 M HN -0.042 nan 8.290 nan 0.000 0.476 330 K N 4.100 124.458 120.400 -0.071 0.000 2.383 330 K HA 0.128 4.448 4.320 -0.000 0.000 0.286 330 K C -0.276 176.316 176.600 -0.013 0.000 1.051 330 K CA -0.413 55.856 56.287 -0.030 0.000 0.974 330 K CB 0.521 32.992 32.500 -0.048 0.000 0.968 330 K HN 0.737 nan 8.250 nan 0.000 0.475 331 L N 5.045 126.289 121.223 0.035 0.000 2.906 331 L HA 0.137 4.477 4.340 -0.000 0.000 0.255 331 L C -0.133 176.838 176.870 0.168 0.000 1.166 331 L CA 0.253 55.120 54.840 0.045 0.000 0.977 331 L CB -0.584 41.384 42.059 -0.152 0.000 1.313 331 L HN 0.706 nan 8.230 nan 0.000 0.549 332 H N -1.447 117.655 119.070 0.053 0.000 2.985 332 H HA 0.748 5.304 4.556 -0.000 0.000 0.360 332 H C -1.411 173.945 175.328 0.047 0.000 1.221 332 H CA -0.680 55.406 56.048 0.063 0.000 1.121 332 H CB 2.778 32.601 29.762 0.102 0.000 1.854 332 H HN -0.090 nan 8.280 nan 0.000 0.551 333 E N 1.546 121.712 120.200 -0.057 0.000 2.422 333 E HA 0.174 4.524 4.350 -0.000 0.000 0.289 333 E C -1.859 174.734 176.600 -0.012 0.000 0.985 333 E CA -0.478 55.850 56.400 -0.120 0.000 0.812 333 E CB 1.611 31.262 29.700 -0.081 0.000 1.226 333 E HN 0.764 nan 8.360 nan 0.000 0.419 334 N N 3.617 122.306 118.700 -0.019 0.000 2.497 334 N HA 0.277 5.017 4.740 -0.000 0.000 0.271 334 N C 0.231 175.706 175.510 -0.058 0.000 1.142 334 N CA 0.292 53.331 53.050 -0.018 0.000 0.965 334 N CB 0.644 39.123 38.487 -0.012 0.000 1.077 334 N HN 0.675 nan 8.380 nan 0.000 0.462 335 I N 2.686 123.194 120.570 -0.103 0.000 4.244 335 I HA 0.277 4.446 4.170 -0.000 0.000 0.318 335 I C 1.425 177.390 176.117 -0.253 0.000 1.282 335 I CA 0.133 61.358 61.300 -0.125 0.000 1.276 335 I CB 0.113 38.063 38.000 -0.083 0.000 1.183 335 I HN 0.667 nan 8.210 nan 0.000 0.431 336 A N 1.141 123.704 122.820 -0.428 0.000 1.970 336 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 336 A C 1.240 178.648 177.584 -0.293 0.000 1.170 336 A CA 0.206 51.842 52.037 -0.668 0.000 0.645 336 A CB -0.337 18.186 19.000 -0.795 0.000 0.816 336 A HN 0.303 nan 8.150 nan 0.000 0.447 337 R N 0.171 120.572 120.500 -0.165 0.000 2.583 337 R HA 0.038 4.378 4.340 -0.000 0.000 0.274 337 R C -1.705 174.555 176.300 -0.067 0.000 0.998 337 R CA -0.721 55.327 56.100 -0.088 0.000 1.081 337 R CB -0.035 30.226 30.300 -0.064 0.000 0.940 337 R HN 0.190 nan 8.270 nan 0.000 0.413 338 P HA -0.235 nan 4.420 nan 0.000 0.216 338 P C 1.148 178.383 177.300 -0.108 0.000 1.153 338 P CA 1.645 64.708 63.100 -0.062 0.000 0.858 338 P CB 0.087 31.757 31.700 -0.049 0.000 0.789 339 S N -1.063 114.583 115.700 -0.091 0.000 2.442 339 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 339 S C 1.697 176.248 174.600 -0.082 0.000 1.007 339 S CA 0.706 58.850 58.200 -0.094 0.000 0.965 339 S CB -0.815 62.345 63.200 -0.068 0.000 0.773 339 S HN 0.030 nan 8.310 nan 0.000 0.504 340 R N 2.085 122.544 120.500 -0.069 0.000 2.323 340 R HA 0.391 4.731 4.340 -0.000 0.000 0.198 340 R C 0.934 177.207 176.300 -0.045 0.000 0.988 340 R CA 0.422 56.489 56.100 -0.054 0.000 1.041 340 R CB -1.632 28.637 30.300 -0.050 0.000 0.926 340 R HN 0.548 nan 8.270 nan 0.000 0.476 341 A N 1.859 124.645 122.820 -0.057 0.000 2.567 341 A HA -0.014 4.306 4.320 -0.000 0.000 0.240 341 A C 0.274 177.850 177.584 -0.014 0.000 1.053 341 A CA 0.192 52.214 52.037 -0.025 0.000 0.755 341 A CB 0.214 19.179 19.000 -0.058 0.000 0.978 341 A HN 0.072 nan 8.150 nan 0.000 0.507 342 D N 0.431 120.852 120.400 0.034 0.000 2.338 342 D HA 0.212 4.852 4.640 -0.000 0.000 0.208 342 D C -0.464 175.766 176.300 -0.116 0.000 0.997 342 D CA 1.142 55.119 54.000 -0.038 0.000 0.880 342 D CB 0.125 40.927 40.800 0.004 0.000 0.980 342 D HN 0.461 nan 8.370 nan 0.000 0.509 343 F N -0.266 119.647 119.950 -0.061 0.000 2.551 343 F HA 0.486 5.012 4.527 -0.000 0.000 0.316 343 F C -0.716 175.103 175.800 0.031 0.000 1.089 343 F CA -1.298 56.662 58.000 -0.067 0.000 0.915 343 F CB 1.887 40.773 39.000 -0.190 0.000 1.186 343 F HN -0.291 nan 8.300 nan 0.000 0.456 344 Y N 2.406 122.749 120.300 0.072 0.000 2.521 344 Y HA 0.429 4.979 4.550 -0.000 0.000 0.328 344 Y C -1.772 174.138 175.900 0.018 0.000 1.151 344 Y CA -0.862 57.249 58.100 0.019 0.000 1.054 344 Y CB 1.573 40.046 38.460 0.022 0.000 1.338 344 Y HN 0.624 nan 8.280 nan 0.000 0.453 345 N N 7.329 125.660 118.700 -0.614 0.000 2.533 345 N HA 0.320 5.060 4.740 -0.000 0.000 0.289 345 N C -2.631 172.453 175.510 -0.709 0.000 1.103 345 N CA -2.185 50.564 53.050 -0.502 0.000 0.877 345 N CB 2.825 41.172 38.487 -0.233 0.000 1.419 345 N HN 0.429 nan 8.380 nan 0.000 0.517 346 P HA -0.040 nan 4.420 nan 0.000 0.230 346 P C 0.287 177.550 177.300 -0.062 0.000 1.158 346 P CA 0.942 63.814 63.100 -0.379 0.000 0.769 346 P CB 0.560 32.161 31.700 -0.166 0.000 0.807 347 K N -1.103 119.263 120.400 -0.056 0.000 2.374 347 K HA 0.320 4.639 4.320 -0.000 0.000 0.196 347 K C 1.525 178.189 176.600 0.106 0.000 1.023 347 K CA 0.383 56.683 56.287 0.022 0.000 1.103 347 K CB 0.520 33.012 32.500 -0.013 0.000 0.848 347 K HN 0.053 nan 8.250 nan 0.000 0.528 348 A N 0.488 123.372 122.820 0.107 0.000 1.937 348 A HA 0.495 4.815 4.320 -0.000 0.000 0.198 348 A C 0.708 178.194 177.584 -0.163 0.000 1.635 348 A CA 0.645 52.701 52.037 0.032 0.000 1.111 348 A CB 0.903 19.863 19.000 -0.066 0.000 1.165 348 A HN 0.280 nan 8.150 nan 0.000 0.460 349 G N -0.478 108.110 108.800 -0.353 0.000 2.352 349 G HA2 0.459 4.419 3.960 -0.000 0.000 0.283 349 G HA3 0.459 4.419 3.960 -0.000 0.000 0.283 349 G C -1.299 173.428 174.900 -0.287 0.000 1.308 349 G CA -0.254 44.381 45.100 -0.776 0.000 0.892 349 G HN 1.014 nan 8.290 nan 0.000 0.504 350 R N -1.318 119.039 120.500 -0.239 0.000 2.799 350 R HA 0.856 5.195 4.340 -0.000 0.000 0.270 350 R C -1.508 174.691 176.300 -0.167 0.000 1.010 350 R CA -1.064 55.017 56.100 -0.033 0.000 0.916 350 R CB 1.775 32.150 30.300 0.124 0.000 1.228 350 R HN 0.577 nan 8.270 nan 0.000 0.469 351 I N 0.970 121.477 120.570 -0.106 0.000 2.569 351 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 351 I C -0.846 175.287 176.117 0.026 0.000 1.088 351 I CA -0.682 60.522 61.300 -0.160 0.000 1.047 351 I CB 2.670 40.416 38.000 -0.423 0.000 1.237 351 I HN 0.658 nan 8.210 nan 0.000 0.421 352 S N 2.799 118.515 115.700 0.027 0.000 2.536 352 S HA 0.694 5.164 4.470 -0.000 0.000 0.298 352 S C -0.547 174.084 174.600 0.053 0.000 1.083 352 S CA -0.669 57.566 58.200 0.057 0.000 0.995 352 S CB 2.161 65.387 63.200 0.043 0.000 1.058 352 S HN 0.556 nan 8.310 nan 0.000 0.488 353 T N 2.550 117.139 114.554 0.058 0.000 2.841 353 T HA 0.573 4.923 4.350 -0.000 0.000 0.283 353 T C -1.276 173.446 174.700 0.037 0.000 1.000 353 T CA -0.475 61.657 62.100 0.053 0.000 0.977 353 T CB 1.209 70.122 68.868 0.075 0.000 0.979 353 T HN 0.360 nan 8.240 nan 0.000 0.446 354 L N 4.871 126.117 121.223 0.037 0.000 2.342 354 L HA 0.672 5.012 4.340 -0.000 0.000 0.276 354 L C -0.736 176.167 176.870 0.055 0.000 0.997 354 L CA -0.348 54.513 54.840 0.035 0.000 0.838 354 L CB 0.499 42.576 42.059 0.030 0.000 1.224 354 L HN 0.821 nan 8.230 nan 0.000 0.416 355 N N 1.002 119.736 118.700 0.057 0.000 3.387 355 N HA 0.359 5.099 4.740 -0.000 0.000 0.322 355 N C 0.288 175.847 175.510 0.082 0.000 1.588 355 N CA -0.165 52.934 53.050 0.082 0.000 0.778 355 N CB 0.314 38.849 38.487 0.080 0.000 1.883 355 N HN 0.230 nan 8.380 nan 0.000 0.628 356 S N -1.095 114.679 115.700 0.123 0.000 2.603 356 S HA 0.059 4.528 4.470 -0.000 0.000 0.229 356 S C 1.139 175.771 174.600 0.054 0.000 0.972 356 S CA 0.149 58.406 58.200 0.095 0.000 0.935 356 S CB -0.768 62.526 63.200 0.158 0.000 0.769 356 S HN 0.492 nan 8.310 nan 0.000 0.536 357 L N 0.514 121.768 121.223 0.053 0.000 2.558 357 L HA 0.128 4.468 4.340 -0.000 0.000 0.225 357 L C 1.895 178.769 176.870 0.007 0.000 1.128 357 L CA 0.700 55.555 54.840 0.026 0.000 0.868 357 L CB -0.589 41.486 42.059 0.026 0.000 1.006 357 L HN 0.380 nan 8.230 nan 0.000 0.454 358 T N -0.688 113.871 114.554 0.009 0.000 3.056 358 T HA 0.177 4.527 4.350 -0.000 0.000 0.243 358 T C 0.247 174.939 174.700 -0.014 0.000 0.995 358 T CA 0.169 62.266 62.100 -0.006 0.000 1.091 358 T CB 0.556 69.423 68.868 -0.003 0.000 0.990 358 T HN -0.077 nan 8.240 nan 0.000 0.464 359 L N 2.696 123.918 121.223 -0.003 0.000 2.401 359 L HA 0.453 4.793 4.340 -0.000 0.000 0.263 359 L C -2.386 174.471 176.870 -0.022 0.000 1.004 359 L CA -2.286 52.547 54.840 -0.012 0.000 0.881 359 L CB 1.851 43.913 42.059 0.006 0.000 1.219 359 L HN -0.195 nan 8.230 nan 0.000 0.441 360 P HA -0.148 nan 4.420 nan 0.000 0.218 360 P C 1.436 178.651 177.300 -0.141 0.000 1.148 360 P CA 1.666 64.719 63.100 -0.079 0.000 0.822 360 P CB 0.303 31.956 31.700 -0.079 0.000 0.784 361 A N -0.371 122.361 122.820 -0.146 0.000 1.986 361 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 361 A C 2.125 179.407 177.584 -0.503 0.000 1.171 361 A CA 1.480 53.341 52.037 -0.293 0.000 0.640 361 A CB -1.726 17.241 19.000 -0.055 0.000 0.811 361 A HN 0.156 nan 8.150 nan 0.000 0.451 362 L N -1.443 119.680 121.223 -0.167 0.000 2.187 362 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 362 L C 2.736 179.534 176.870 -0.121 0.000 1.100 362 L CA 1.544 56.355 54.840 -0.048 0.000 0.765 362 L CB -0.479 41.629 42.059 0.082 0.000 0.904 362 L HN 0.443 nan 8.230 nan 0.000 0.437 363 R N -0.454 119.910 120.500 -0.227 0.000 2.120 363 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 363 R C 2.293 178.405 176.300 -0.313 0.000 1.123 363 R CA 1.061 56.940 56.100 -0.369 0.000 0.975 363 R CB 0.020 30.081 30.300 -0.398 0.000 0.866 363 R HN 0.248 nan 8.270 nan 0.000 0.446 364 Q N -0.869 118.683 119.800 -0.413 0.000 2.432 364 Q HA -0.032 4.307 4.340 -0.000 0.000 0.205 364 Q C 0.645 176.609 176.000 -0.061 0.000 0.945 364 Q CA 0.913 56.545 55.803 -0.285 0.000 0.924 364 Q CB 0.393 28.845 28.738 -0.478 0.000 1.016 364 Q HN 0.263 nan 8.270 nan 0.000 0.503 365 F N -1.394 118.596 119.950 0.066 0.000 2.721 365 F HA 0.337 4.864 4.527 -0.000 0.000 0.301 365 F C 1.564 177.371 175.800 0.011 0.000 1.096 365 F CA 0.166 58.152 58.000 -0.023 0.000 1.308 365 F CB -0.076 38.907 39.000 -0.028 0.000 1.086 365 F HN 0.070 nan 8.300 nan 0.000 0.587 366 G N 1.070 110.025 108.800 0.259 0.000 2.160 366 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.251 366 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.251 366 G C -0.204 174.796 174.900 0.165 0.000 1.008 366 G CA 0.060 45.292 45.100 0.220 0.000 0.724 366 G HN 0.137 nan 8.290 nan 0.000 0.514 367 L N 0.129 121.464 121.223 0.188 0.000 2.323 367 L HA 0.947 5.286 4.340 -0.000 0.000 0.265 367 L C 0.550 177.525 176.870 0.175 0.000 1.012 367 L CA -0.362 54.581 54.840 0.172 0.000 0.820 367 L CB 1.713 43.873 42.059 0.168 0.000 1.334 367 L HN 0.837 nan 8.230 nan 0.000 0.427 368 S N 0.183 115.983 115.700 0.166 0.000 2.643 368 S HA 1.008 5.478 4.470 -0.000 0.000 0.270 368 S C -1.122 173.556 174.600 0.130 0.000 1.166 368 S CA -0.155 58.129 58.200 0.139 0.000 0.815 368 S CB 2.394 65.668 63.200 0.123 0.000 1.139 368 S HN 1.131 nan 8.310 nan 0.000 0.472 369 A N 0.162 123.030 122.820 0.081 0.000 2.599 369 A HA 0.849 5.169 4.320 -0.000 0.000 0.290 369 A C -1.741 175.848 177.584 0.008 0.000 1.101 369 A CA -0.775 51.276 52.037 0.023 0.000 0.674 369 A CB 1.453 20.426 19.000 -0.045 0.000 1.277 369 A HN 0.832 nan 8.150 nan 0.000 0.419 370 Q N -0.918 118.864 119.800 -0.030 0.000 2.456 370 Q HA 0.553 4.893 4.340 -0.000 0.000 0.283 370 Q C -2.181 173.795 176.000 -0.041 0.000 1.084 370 Q CA -0.556 55.236 55.803 -0.019 0.000 0.801 370 Q CB 3.012 31.735 28.738 -0.024 0.000 1.434 370 Q HN 0.697 nan 8.270 nan 0.000 0.419 371 Y N 0.984 121.178 120.300 -0.177 0.000 2.329 371 Y HA 0.547 5.097 4.550 -0.000 0.000 0.328 371 Y C -1.411 174.309 175.900 -0.299 0.000 0.992 371 Y CA -0.736 57.231 58.100 -0.222 0.000 1.151 371 Y CB 1.447 39.818 38.460 -0.150 0.000 1.150 371 Y HN 0.445 nan 8.280 nan 0.000 0.450 372 V N 6.315 125.681 119.914 -0.913 0.000 2.823 372 V HA 0.873 4.993 4.120 -0.000 0.000 0.312 372 V C -2.008 173.641 176.094 -0.742 0.000 1.072 372 V CA -0.560 61.302 62.300 -0.730 0.000 0.937 372 V CB 1.990 33.385 31.823 -0.713 0.000 1.013 372 V HN 0.508 nan 8.190 nan 0.000 0.430 373 V N 6.758 126.415 119.914 -0.427 0.000 2.483 373 V HA 0.536 4.656 4.120 -0.000 0.000 0.297 373 V C -0.381 175.476 176.094 -0.395 0.000 1.027 373 V CA -0.402 61.711 62.300 -0.313 0.000 0.855 373 V CB 1.463 33.189 31.823 -0.162 0.000 0.995 373 V HN 0.847 nan 8.190 nan 0.000 0.424 374 L N 4.829 125.889 121.223 -0.273 0.000 2.346 374 L HA 0.634 4.974 4.340 -0.000 0.000 0.276 374 L C -0.882 175.890 176.870 -0.163 0.000 1.006 374 L CA -0.705 53.980 54.840 -0.258 0.000 0.817 374 L CB 1.877 43.903 42.059 -0.055 0.000 1.272 374 L HN 0.490 nan 8.230 nan 0.000 0.421 375 Y N 0.723 121.036 120.300 0.021 0.000 2.392 375 Y HA 0.364 4.914 4.550 -0.000 0.000 0.323 375 Y C 0.354 176.269 175.900 0.025 0.000 1.291 375 Y CA -1.409 56.706 58.100 0.026 0.000 1.345 375 Y CB 0.425 38.897 38.460 0.019 0.000 1.320 375 Y HN 0.364 nan 8.280 nan 0.000 0.518 376 R N 2.115 122.741 120.500 0.210 0.000 2.955 376 R HA -0.113 4.226 4.340 -0.000 0.000 0.334 376 R C -0.079 176.278 176.300 0.096 0.000 0.778 376 R CA 0.585 56.755 56.100 0.117 0.000 1.110 376 R CB -1.425 28.926 30.300 0.085 0.000 0.889 376 R HN 0.605 nan 8.270 nan 0.000 0.396 377 N N -0.777 117.968 118.700 0.075 0.000 2.800 377 N HA -0.138 4.602 4.740 -0.000 0.000 0.250 377 N C 0.036 175.581 175.510 0.057 0.000 1.078 377 N CA 1.531 54.616 53.050 0.059 0.000 0.804 377 N CB -1.302 37.214 38.487 0.049 0.000 1.135 377 N HN 0.778 nan 8.380 nan 0.000 0.565 378 G N 0.026 108.862 108.800 0.061 0.000 2.390 378 G HA2 0.559 4.519 3.960 -0.000 0.000 0.270 378 G HA3 0.559 4.519 3.960 -0.000 0.000 0.270 378 G C 0.162 175.084 174.900 0.038 0.000 1.211 378 G CA -0.424 44.698 45.100 0.036 0.000 0.842 378 G HN 0.289 nan 8.290 nan 0.000 0.519 379 I N 1.983 122.576 120.570 0.038 0.000 2.321 379 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 379 I C -0.822 175.360 176.117 0.108 0.000 0.998 379 I CA -0.901 60.443 61.300 0.074 0.000 1.227 379 I CB 1.648 39.689 38.000 0.067 0.000 1.368 379 I HN 0.410 nan 8.210 nan 0.000 0.466 380 Y N 7.892 128.183 120.300 -0.014 0.000 2.676 380 Y HA 0.251 4.801 4.550 -0.000 0.000 0.338 380 Y C 0.693 176.620 175.900 0.045 0.000 1.057 380 Y CA -1.742 56.321 58.100 -0.063 0.000 1.314 380 Y CB -0.045 38.391 38.460 -0.041 0.000 1.164 380 Y HN 0.686 nan 8.280 nan 0.000 0.509 381 S N 5.791 121.655 115.700 0.274 0.000 2.553 381 S HA 0.119 4.588 4.470 -0.000 0.000 0.271 381 S C -2.655 172.098 174.600 0.255 0.000 1.362 381 S CA -1.046 57.276 58.200 0.203 0.000 1.010 381 S CB -0.022 63.267 63.200 0.148 0.000 0.865 381 S HN 0.534 nan 8.310 nan 0.000 0.543 382 P HA 0.102 nan 4.420 nan 0.000 0.260 382 P C -0.195 177.257 177.300 0.255 0.000 1.172 382 P CA 0.762 63.946 63.100 0.141 0.000 0.760 382 P CB -0.012 31.749 31.700 0.101 0.000 0.773 383 H N 1.381 120.499 119.070 0.080 0.000 2.960 383 H HA 0.681 5.237 4.556 -0.000 0.000 0.323 383 H C -1.300 174.177 175.328 0.248 0.000 1.326 383 H CA -0.970 55.146 56.048 0.114 0.000 1.124 383 H CB 1.027 30.756 29.762 -0.055 0.000 1.853 383 H HN 0.594 nan 8.280 nan 0.000 0.536 384 W N 0.311 121.662 121.300 0.086 0.000 3.137 384 W HA 0.573 5.232 4.660 -0.000 0.000 0.324 384 W C -2.072 174.496 176.519 0.081 0.000 1.253 384 W CA -0.868 56.495 57.345 0.030 0.000 1.183 384 W CB 0.754 30.230 29.460 0.027 0.000 1.424 384 W HN 0.507 nan 8.180 nan 0.000 0.566 385 N N 1.907 120.751 118.700 0.239 0.000 2.426 385 N HA 0.324 5.064 4.740 -0.000 0.000 0.275 385 N C 0.419 176.060 175.510 0.219 0.000 1.019 385 N CA -0.612 52.504 53.050 0.110 0.000 0.941 385 N CB 1.748 40.293 38.487 0.097 0.000 1.123 385 N HN 0.388 nan 8.380 nan 0.000 0.486 386 L N 2.178 123.457 121.223 0.093 0.000 2.109 386 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 386 L C 1.149 178.073 176.870 0.090 0.000 1.086 386 L CA 1.395 56.332 54.840 0.162 0.000 0.760 386 L CB -0.430 41.661 42.059 0.055 0.000 0.910 386 L HN 0.764 nan 8.230 nan 0.000 0.437 387 N N -1.942 116.757 118.700 -0.002 0.000 2.240 387 N HA 0.501 5.241 4.740 -0.000 0.000 0.240 387 N C -0.130 175.372 175.510 -0.012 0.000 1.277 387 N CA 0.181 53.195 53.050 -0.060 0.000 0.873 387 N CB 0.951 39.279 38.487 -0.265 0.000 1.222 387 N HN 0.069 nan 8.380 nan 0.000 0.507 388 A N 0.261 123.105 122.820 0.041 0.000 2.589 388 A HA 0.459 4.779 4.320 -0.000 0.000 0.296 388 A C -1.554 176.064 177.584 0.057 0.000 1.062 388 A CA -0.877 51.206 52.037 0.076 0.000 0.686 388 A CB 1.089 20.152 19.000 0.105 0.000 1.282 388 A HN 0.176 nan 8.150 nan 0.000 0.404 389 N N 0.842 119.566 118.700 0.041 0.000 2.515 389 N HA 0.668 5.408 4.740 -0.000 0.000 0.279 389 N C -0.214 175.305 175.510 0.015 0.000 1.164 389 N CA 0.161 53.207 53.050 -0.006 0.000 0.982 389 N CB 1.428 39.894 38.487 -0.036 0.000 1.170 389 N HN 0.757 nan 8.380 nan 0.000 0.474 390 S N -0.779 114.916 115.700 -0.008 0.000 2.595 390 S HA 0.648 5.118 4.470 -0.000 0.000 0.281 390 S C -0.728 173.872 174.600 -0.000 0.000 1.117 390 S CA -0.833 57.384 58.200 0.028 0.000 0.873 390 S CB 1.803 65.030 63.200 0.045 0.000 1.108 390 S HN 0.178 nan 8.310 nan 0.000 0.477 391 V N 2.077 122.033 119.914 0.070 0.000 2.447 391 V HA 0.413 4.532 4.120 -0.000 0.000 0.292 391 V C -0.664 175.522 176.094 0.154 0.000 1.021 391 V CA -0.496 61.842 62.300 0.062 0.000 0.850 391 V CB 1.072 32.920 31.823 0.041 0.000 1.005 391 V HN 0.857 nan 8.190 nan 0.000 0.426 392 I N 4.860 125.447 120.570 0.028 0.000 2.428 392 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 392 I C -0.845 175.315 176.117 0.072 0.000 1.019 392 I CA -0.445 60.860 61.300 0.010 0.000 1.351 392 I CB 1.028 38.898 38.000 -0.216 0.000 1.412 392 I HN 0.648 nan 8.210 nan 0.000 0.513 393 Y N 6.121 126.430 120.300 0.015 0.000 2.329 393 Y HA 0.454 5.004 4.550 -0.000 0.000 0.328 393 Y C -0.928 175.007 175.900 0.058 0.000 0.992 393 Y CA -0.851 57.271 58.100 0.035 0.000 1.151 393 Y CB 1.302 39.833 38.460 0.119 0.000 1.150 393 Y HN 0.213 nan 8.280 nan 0.000 0.450 394 V N 6.192 125.796 119.914 -0.517 0.000 2.455 394 V HA 0.090 4.210 4.120 -0.000 0.000 0.273 394 V C 0.994 176.888 176.094 -0.334 0.000 1.045 394 V CA 0.844 62.969 62.300 -0.291 0.000 0.976 394 V CB 0.854 32.542 31.823 -0.225 0.000 0.993 394 V HN 0.978 nan 8.190 nan 0.000 0.475 395 T N 1.920 116.468 114.554 -0.009 0.000 3.057 395 T HA 0.195 4.544 4.350 -0.000 0.000 0.254 395 T C 0.735 175.506 174.700 0.119 0.000 1.094 395 T CA 0.092 62.285 62.100 0.154 0.000 1.088 395 T CB 0.398 69.453 68.868 0.311 0.000 0.934 395 T HN 0.465 nan 8.240 nan 0.000 0.497 396 R N -0.028 120.514 120.500 0.071 0.000 2.664 396 R HA 0.488 4.828 4.340 -0.000 0.000 0.260 396 R C -0.009 176.323 176.300 0.054 0.000 1.062 396 R CA 0.570 56.715 56.100 0.075 0.000 0.902 396 R CB 1.367 31.732 30.300 0.108 0.000 1.258 396 R HN 0.555 nan 8.270 nan 0.000 0.465 397 G N 2.625 111.455 108.800 0.050 0.000 2.632 397 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.224 397 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.224 397 G C -1.199 173.719 174.900 0.029 0.000 1.341 397 G CA 0.267 45.394 45.100 0.046 0.000 0.880 397 G HN 0.756 nan 8.290 nan 0.000 0.566 398 K N -0.778 119.643 120.400 0.034 0.000 2.557 398 K HA 0.661 4.981 4.320 -0.000 0.000 0.261 398 K C -0.154 176.466 176.600 0.032 0.000 0.932 398 K CA -0.008 56.294 56.287 0.025 0.000 0.829 398 K CB 1.411 33.927 32.500 0.026 0.000 1.358 398 K HN 2.051 nan 8.250 nan 0.000 0.430 399 G N 1.574 110.389 108.800 0.025 0.000 2.649 399 G HA2 0.452 4.412 3.960 -0.000 0.000 0.290 399 G HA3 0.452 4.412 3.960 -0.000 0.000 0.290 399 G C -1.993 172.927 174.900 0.034 0.000 1.426 399 G CA -0.907 44.212 45.100 0.032 0.000 0.794 399 G HN 0.457 nan 8.290 nan 0.000 0.483 400 R N 0.260 120.784 120.500 0.039 0.000 2.198 400 R HA 0.596 4.936 4.340 -0.000 0.000 0.339 400 R C -0.725 175.611 176.300 0.059 0.000 1.020 400 R CA -0.238 55.891 56.100 0.047 0.000 0.864 400 R CB 0.752 31.071 30.300 0.031 0.000 1.105 400 R HN 0.315 nan 8.270 nan 0.000 0.463 401 V N 5.457 125.443 119.914 0.120 0.000 2.547 401 V HA 0.585 4.705 4.120 -0.000 0.000 0.299 401 V C 0.141 176.370 176.094 0.226 0.000 1.040 401 V CA -0.765 61.608 62.300 0.121 0.000 0.913 401 V CB 1.805 33.660 31.823 0.052 0.000 0.992 401 V HN 0.681 nan 8.190 nan 0.000 0.449 402 R N 2.374 122.951 120.500 0.127 0.000 2.575 402 R HA 0.779 5.119 4.340 -0.000 0.000 0.293 402 R C -1.724 174.628 176.300 0.085 0.000 0.983 402 R CA -0.484 55.688 56.100 0.121 0.000 0.887 402 R CB 2.369 32.698 30.300 0.047 0.000 1.184 402 R HN 0.554 nan 8.270 nan 0.000 0.445 403 V N 3.606 123.601 119.914 0.135 0.000 2.588 403 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 403 V C -0.550 175.608 176.094 0.106 0.000 1.042 403 V CA -0.856 61.514 62.300 0.117 0.000 0.877 403 V CB 2.042 33.966 31.823 0.168 0.000 0.996 403 V HN 0.421 nan 8.190 nan 0.000 0.425 404 V N 4.781 124.719 119.914 0.041 0.000 2.555 404 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 404 V C -0.057 175.873 176.094 -0.274 0.000 1.038 404 V CA -0.708 61.551 62.300 -0.068 0.000 0.887 404 V CB 2.038 33.819 31.823 -0.071 0.000 0.991 404 V HN 1.061 nan 8.190 nan 0.000 0.434 405 N N 2.743 121.173 118.700 -0.450 0.000 2.566 405 N HA 0.137 4.877 4.740 -0.000 0.000 0.299 405 N C 1.240 176.395 175.510 -0.593 0.000 1.277 405 N CA -0.147 52.322 53.050 -0.968 0.000 0.965 405 N CB 0.188 38.183 38.487 -0.820 0.000 1.142 405 N HN 0.735 nan 8.380 nan 0.000 0.596 406 C N -3.007 115.973 119.300 -0.534 0.000 2.491 406 C HA 0.147 4.607 4.460 -0.000 0.000 0.277 406 C C 1.463 176.331 174.990 -0.204 0.000 1.455 406 C CA -0.125 58.710 59.018 -0.306 0.000 1.758 406 C CB -1.501 26.102 27.740 -0.228 0.000 1.745 406 C HN 0.618 nan 8.230 nan 0.000 0.558 407 Q N 0.633 120.318 119.800 -0.190 0.000 2.319 407 Q HA 0.263 4.603 4.340 -0.000 0.000 0.202 407 Q C 1.614 177.549 176.000 -0.109 0.000 0.896 407 Q CA 0.530 56.259 55.803 -0.123 0.000 0.942 407 Q CB 0.426 29.106 28.738 -0.097 0.000 1.083 407 Q HN 0.850 nan 8.270 nan 0.000 0.510 408 G N 1.805 110.525 108.800 -0.132 0.000 2.136 408 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.242 408 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.242 408 G C -0.389 174.465 174.900 -0.077 0.000 0.989 408 G CA -0.212 44.831 45.100 -0.095 0.000 0.682 408 G HN 0.216 nan 8.290 nan 0.000 0.522 409 N N 0.593 119.238 118.700 -0.092 0.000 2.419 409 N HA 0.600 5.339 4.740 -0.000 0.000 0.277 409 N C 0.320 175.800 175.510 -0.048 0.000 1.006 409 N CA 0.331 53.345 53.050 -0.060 0.000 0.923 409 N CB 1.670 40.126 38.487 -0.050 0.000 1.140 409 N HN 0.609 nan 8.380 nan 0.000 0.488 410 A N 1.888 124.694 122.820 -0.023 0.000 2.785 410 A HA 0.146 4.466 4.320 -0.000 0.000 0.294 410 A C 1.506 179.110 177.584 0.033 0.000 1.597 410 A CA -0.569 51.470 52.037 0.003 0.000 1.283 410 A CB -0.859 18.137 19.000 -0.007 0.000 1.088 410 A HN 0.618 nan 8.150 nan 0.000 0.568 411 V N 0.176 120.136 119.914 0.077 0.000 2.867 411 V HA 0.063 4.183 4.120 -0.000 0.000 0.260 411 V C 0.535 176.746 176.094 0.195 0.000 1.099 411 V CA 1.245 63.623 62.300 0.131 0.000 1.122 411 V CB -1.320 30.626 31.823 0.206 0.000 0.708 411 V HN 0.664 nan 8.190 nan 0.000 0.490 412 F N 0.478 120.445 119.950 0.028 0.000 2.588 412 F HA 0.669 5.196 4.527 -0.000 0.000 0.314 412 F C -1.351 174.446 175.800 -0.005 0.000 1.134 412 F CA -0.886 57.120 58.000 0.010 0.000 0.961 412 F CB 2.049 41.050 39.000 0.001 0.000 1.239 412 F HN -0.026 nan 8.300 nan 0.000 0.448 413 D N 4.195 124.260 120.400 -0.558 0.000 2.445 413 D HA 0.525 5.165 4.640 -0.000 0.000 0.236 413 D C -0.617 175.396 176.300 -0.479 0.000 1.315 413 D CA 0.207 54.018 54.000 -0.315 0.000 0.924 413 D CB 0.962 41.672 40.800 -0.151 0.000 1.447 413 D HN 0.958 nan 8.370 nan 0.000 0.532 414 G N 1.242 109.751 108.800 -0.485 0.000 2.489 414 G HA2 0.350 4.310 3.960 -0.000 0.000 0.305 414 G HA3 0.350 4.310 3.960 -0.000 0.000 0.305 414 G C -1.180 173.706 174.900 -0.023 0.000 1.311 414 G CA -0.714 44.203 45.100 -0.305 0.000 0.813 414 G HN 0.069 nan 8.290 nan 0.000 0.480 415 E N -0.131 120.079 120.200 0.016 0.000 2.343 415 E HA 0.491 4.840 4.350 -0.000 0.000 0.269 415 E C -0.607 176.088 176.600 0.159 0.000 1.047 415 E CA -0.287 56.160 56.400 0.079 0.000 0.874 415 E CB 2.163 31.887 29.700 0.039 0.000 1.033 415 E HN 0.329 nan 8.360 nan 0.000 0.409 416 L N 2.629 123.914 121.223 0.103 0.000 2.385 416 L HA 0.441 4.781 4.340 -0.000 0.000 0.273 416 L C -0.279 176.588 176.870 -0.005 0.000 0.990 416 L CA -0.678 54.190 54.840 0.045 0.000 0.821 416 L CB 1.441 43.465 42.059 -0.059 0.000 1.279 416 L HN 0.483 nan 8.230 nan 0.000 0.412 417 R N 2.344 122.835 120.500 -0.014 0.000 2.912 417 R HA 0.569 4.909 4.340 -0.000 0.000 0.262 417 R C -0.391 175.871 176.300 -0.063 0.000 1.057 417 R CA -1.082 55.006 56.100 -0.021 0.000 0.981 417 R CB 0.859 31.161 30.300 0.004 0.000 1.201 417 R HN 0.399 nan 8.270 nan 0.000 0.484 418 R N 0.346 120.815 120.500 -0.051 0.000 2.587 418 R HA -0.062 4.277 4.340 -0.000 0.000 0.268 418 R C 0.531 176.764 176.300 -0.111 0.000 0.978 418 R CA 2.273 58.323 56.100 -0.084 0.000 1.097 418 R CB -0.044 30.251 30.300 -0.009 0.000 0.917 418 R HN 0.977 nan 8.270 nan 0.000 0.414 419 G N 2.314 110.970 108.800 -0.240 0.000 2.267 419 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.257 419 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.257 419 G C -0.015 174.883 174.900 -0.004 0.000 0.998 419 G CA 0.446 45.517 45.100 -0.048 0.000 0.620 419 G HN 0.628 nan 8.290 nan 0.000 0.529 420 Q N 0.143 119.862 119.800 -0.134 0.000 2.259 420 Q HA 0.664 5.004 4.340 -0.000 0.000 0.246 420 Q C -0.439 175.525 176.000 -0.059 0.000 0.920 420 Q CA -0.545 55.258 55.803 -0.001 0.000 0.895 420 Q CB 2.094 30.819 28.738 -0.023 0.000 1.220 420 Q HN 0.238 nan 8.270 nan 0.000 0.439 421 L N 3.595 124.872 121.223 0.091 0.000 2.341 421 L HA 0.554 4.894 4.340 -0.000 0.000 0.278 421 L C -1.662 175.138 176.870 -0.117 0.000 1.005 421 L CA -0.715 54.123 54.840 -0.003 0.000 0.818 421 L CB 1.523 43.553 42.059 -0.048 0.000 1.259 421 L HN 0.574 nan 8.230 nan 0.000 0.418 422 L N 5.514 126.619 121.223 -0.197 0.000 2.438 422 L HA 0.532 4.871 4.340 -0.000 0.000 0.270 422 L C -1.198 175.530 176.870 -0.237 0.000 0.972 422 L CA -0.350 54.311 54.840 -0.299 0.000 0.831 422 L CB 2.118 43.874 42.059 -0.505 0.000 1.273 422 L HN 0.317 nan 8.230 nan 0.000 0.405 423 V N 5.803 125.589 119.914 -0.213 0.000 2.406 423 V HA 0.422 4.542 4.120 -0.000 0.000 0.272 423 V C -0.304 175.669 176.094 -0.201 0.000 1.043 423 V CA -0.455 61.739 62.300 -0.176 0.000 0.915 423 V CB 1.507 33.238 31.823 -0.153 0.000 0.988 423 V HN 0.537 nan 8.190 nan 0.000 0.466 424 V N 8.552 128.357 119.914 -0.181 0.000 2.313 424 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 424 V C -2.221 173.724 176.094 -0.250 0.000 1.017 424 V CA -1.895 60.287 62.300 -0.198 0.000 0.823 424 V CB 1.547 33.291 31.823 -0.133 0.000 1.010 424 V HN 0.731 nan 8.190 nan 0.000 0.443 425 P HA 0.052 nan 4.420 nan 0.000 0.270 425 P C -0.242 176.881 177.300 -0.294 0.000 1.223 425 P CA -0.239 62.536 63.100 -0.540 0.000 0.785 425 P CB 0.435 31.497 31.700 -1.064 0.000 0.923 426 Q N 2.343 122.074 119.800 -0.115 0.000 2.304 426 Q HA -0.128 4.212 4.340 -0.000 0.000 0.301 426 Q C 0.322 176.426 176.000 0.173 0.000 1.063 426 Q CA 0.797 56.629 55.803 0.048 0.000 0.947 426 Q CB -0.610 28.162 28.738 0.057 0.000 1.201 426 Q HN 0.467 nan 8.270 nan 0.000 0.389 427 N N 1.605 120.458 118.700 0.254 0.000 2.955 427 N HA -0.235 4.505 4.740 -0.000 0.000 0.230 427 N C -0.906 174.734 175.510 0.217 0.000 0.891 427 N CA 0.584 53.779 53.050 0.241 0.000 1.002 427 N CB -1.087 37.467 38.487 0.111 0.000 1.063 427 N HN 0.494 nan 8.380 nan 0.000 0.601 428 F N 1.524 121.473 119.950 -0.002 0.000 2.484 428 F HA 0.210 4.736 4.527 -0.000 0.000 0.360 428 F C 1.096 176.887 175.800 -0.014 0.000 1.101 428 F CA -0.860 57.117 58.000 -0.037 0.000 1.251 428 F CB 0.770 39.752 39.000 -0.031 0.000 1.132 428 F HN -0.281 nan 8.300 nan 0.000 0.570 429 V N 5.473 125.442 119.914 0.091 0.000 2.427 429 V HA 0.139 4.259 4.120 -0.000 0.000 0.268 429 V C 0.056 176.128 176.094 -0.036 0.000 1.046 429 V CA -0.451 61.877 62.300 0.048 0.000 0.970 429 V CB 0.510 32.331 31.823 -0.004 0.000 1.001 429 V HN 0.479 nan 8.190 nan 0.000 0.476 430 V N 2.875 122.659 119.914 -0.217 0.000 2.850 430 V HA 1.009 5.128 4.120 -0.000 0.000 0.315 430 V C 0.163 176.012 176.094 -0.409 0.000 1.064 430 V CA -0.755 61.353 62.300 -0.321 0.000 0.979 430 V CB 1.586 33.125 31.823 -0.473 0.000 1.039 430 V HN 0.989 nan 8.190 nan 0.000 0.452 431 A N 1.823 124.518 122.820 -0.208 0.000 2.517 431 A HA 0.847 5.167 4.320 -0.000 0.000 0.297 431 A C -1.137 176.431 177.584 -0.026 0.000 1.050 431 A CA -0.572 51.415 52.037 -0.082 0.000 0.694 431 A CB 1.807 20.805 19.000 -0.003 0.000 1.277 431 A HN 0.843 nan 8.150 nan 0.000 0.400 432 E N 0.420 120.646 120.200 0.043 0.000 2.256 432 E HA 0.655 5.004 4.350 -0.000 0.000 0.267 432 E C -0.754 175.904 176.600 0.097 0.000 0.892 432 E CA -0.481 55.955 56.400 0.060 0.000 0.775 432 E CB 2.100 31.860 29.700 0.100 0.000 1.207 432 E HN 0.613 nan 8.360 nan 0.000 0.420 433 Q N 0.674 120.518 119.800 0.073 0.000 2.305 433 Q HA 0.628 4.968 4.340 -0.000 0.000 0.271 433 Q C -0.789 175.249 176.000 0.065 0.000 1.046 433 Q CA -0.875 54.970 55.803 0.069 0.000 0.798 433 Q CB 1.697 30.467 28.738 0.053 0.000 1.286 433 Q HN 0.722 nan 8.270 nan 0.000 0.435 434 G N 1.569 110.408 108.800 0.066 0.000 2.390 434 G HA2 0.464 4.424 3.960 -0.000 0.000 0.270 434 G HA3 0.464 4.424 3.960 -0.000 0.000 0.270 434 G C 0.296 175.232 174.900 0.059 0.000 1.211 434 G CA 0.103 45.242 45.100 0.065 0.000 0.842 434 G HN 0.710 nan 8.290 nan 0.000 0.519 435 G N 0.897 109.730 108.800 0.055 0.000 2.481 435 G HA2 0.201 4.161 3.960 -0.000 0.000 0.251 435 G HA3 0.201 4.161 3.960 -0.000 0.000 0.251 435 G C 0.884 175.814 174.900 0.050 0.000 1.492 435 G CA 0.175 45.303 45.100 0.047 0.000 1.060 435 G HN 0.618 nan 8.290 nan 0.000 0.553 436 E N -0.451 119.775 120.200 0.043 0.000 2.058 436 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 436 E C 2.025 178.655 176.600 0.050 0.000 0.997 436 E CA 1.254 57.679 56.400 0.041 0.000 0.801 436 E CB -0.014 29.706 29.700 0.033 0.000 0.746 436 E HN 0.488 nan 8.360 nan 0.000 0.450 437 Q N -0.068 119.765 119.800 0.055 0.000 2.201 437 Q HA 0.262 4.602 4.340 -0.000 0.000 0.236 437 Q C -0.147 175.905 176.000 0.087 0.000 0.857 437 Q CA -0.023 55.819 55.803 0.065 0.000 1.025 437 Q CB 1.353 30.125 28.738 0.056 0.000 1.124 437 Q HN 0.272 nan 8.270 nan 0.000 0.473 438 G N 1.352 110.208 108.800 0.093 0.000 2.829 438 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.628 438 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.628 438 G C -1.365 173.584 174.900 0.081 0.000 1.412 438 G CA -0.644 44.520 45.100 0.107 0.000 0.864 438 G HN 0.232 nan 8.290 nan 0.000 0.544 439 L N -0.257 121.009 121.223 0.073 0.000 2.470 439 L HA 0.827 5.167 4.340 -0.000 0.000 0.268 439 L C -0.412 176.498 176.870 0.068 0.000 0.964 439 L CA -0.523 54.366 54.840 0.081 0.000 0.839 439 L CB 1.872 43.995 42.059 0.107 0.000 1.276 439 L HN 0.773 nan 8.230 nan 0.000 0.403 440 E N 4.409 124.641 120.200 0.054 0.000 2.238 440 E HA 0.646 4.996 4.350 -0.000 0.000 0.267 440 E C -1.920 174.651 176.600 -0.048 0.000 0.887 440 E CA -0.658 55.694 56.400 -0.080 0.000 0.769 440 E CB 2.432 32.120 29.700 -0.021 0.000 1.187 440 E HN 0.563 nan 8.360 nan 0.000 0.416 441 Y N -1.474 118.544 120.300 -0.471 0.000 2.604 441 Y HA 0.569 5.119 4.550 -0.000 0.000 0.331 441 Y C -1.730 173.851 175.900 -0.532 0.000 1.158 441 Y CA -1.311 56.568 58.100 -0.369 0.000 1.056 441 Y CB 0.732 39.061 38.460 -0.219 0.000 1.330 441 Y HN 0.327 nan 8.280 nan 0.000 0.457 442 V N 3.056 122.917 119.914 -0.087 0.000 2.547 442 V HA 0.806 4.926 4.120 -0.000 0.000 0.299 442 V C -1.237 174.779 176.094 -0.130 0.000 1.040 442 V CA -0.728 61.475 62.300 -0.162 0.000 0.913 442 V CB 1.560 33.295 31.823 -0.146 0.000 0.992 442 V HN 0.789 nan 8.190 nan 0.000 0.449 443 V N 7.324 127.133 119.914 -0.176 0.000 2.350 443 V HA 0.494 4.614 4.120 -0.000 0.000 0.285 443 V C -0.458 175.543 176.094 -0.155 0.000 1.014 443 V CA -0.508 61.762 62.300 -0.050 0.000 0.831 443 V CB 0.852 32.725 31.823 0.083 0.000 1.000 443 V HN 0.723 nan 8.190 nan 0.000 0.433 444 F N 3.037 123.016 119.950 0.049 0.000 2.379 444 F HA 0.665 5.191 4.527 -0.000 0.000 0.332 444 F C 0.556 176.372 175.800 0.026 0.000 1.096 444 F CA -0.451 57.567 58.000 0.030 0.000 1.105 444 F CB 1.205 40.201 39.000 -0.006 0.000 1.189 444 F HN 0.307 nan 8.300 nan 0.000 0.515 445 K N -0.139 120.393 120.400 0.219 0.000 2.422 445 K HA 0.354 4.674 4.320 -0.000 0.000 0.251 445 K C -0.404 176.284 176.600 0.147 0.000 0.933 445 K CA -0.823 55.553 56.287 0.148 0.000 0.798 445 K CB 1.957 34.530 32.500 0.121 0.000 1.238 445 K HN 0.630 nan 8.250 nan 0.000 0.428 446 T N -0.888 113.740 114.554 0.124 0.000 3.419 446 T HA 0.146 4.496 4.350 -0.000 0.000 0.228 446 T C -0.145 174.662 174.700 0.178 0.000 0.939 446 T CA -0.371 61.803 62.100 0.123 0.000 0.992 446 T CB -0.551 68.364 68.868 0.078 0.000 1.186 446 T HN 0.481 nan 8.240 nan 0.000 0.612 447 H N 0.589 119.710 119.070 0.085 0.000 2.996 447 H HA 0.181 4.737 4.556 -0.000 0.000 0.368 447 H C 0.451 175.811 175.328 0.055 0.000 1.185 447 H CA -0.458 55.626 56.048 0.061 0.000 1.160 447 H CB 1.728 31.483 29.762 -0.012 0.000 1.820 447 H HN 0.524 nan 8.280 nan 0.000 0.547 448 H N 2.400 121.384 119.070 -0.145 0.000 2.495 448 H HA 0.037 4.592 4.556 -0.000 0.000 0.287 448 H C -0.089 175.320 175.328 0.134 0.000 1.033 448 H CA 0.947 57.005 56.048 0.017 0.000 1.307 448 H CB 0.389 30.115 29.762 -0.060 0.000 1.401 448 H HN 0.209 nan 8.280 nan 0.000 0.555 449 N N 0.703 119.304 118.700 -0.165 0.000 2.725 449 N HA 0.318 5.058 4.740 -0.000 0.000 0.248 449 N C -1.437 174.076 175.510 0.006 0.000 1.402 449 N CA 0.033 53.050 53.050 -0.055 0.000 0.766 449 N CB 0.669 39.052 38.487 -0.173 0.000 1.223 449 N HN 0.527 nan 8.380 nan 0.000 0.515 450 A N 1.225 124.069 122.820 0.040 0.000 2.362 450 A HA 0.543 4.863 4.320 -0.000 0.000 0.276 450 A C 0.245 177.807 177.584 -0.038 0.000 1.153 450 A CA -0.404 51.621 52.037 -0.020 0.000 0.813 450 A CB 0.164 19.197 19.000 0.056 0.000 1.081 450 A HN 0.418 nan 8.150 nan 0.000 0.507 451 V N 1.530 121.393 119.914 -0.085 0.000 2.581 451 V HA 0.884 5.004 4.120 -0.000 0.000 0.303 451 V C 0.109 176.152 176.094 -0.085 0.000 1.041 451 V CA -0.070 62.191 62.300 -0.065 0.000 0.907 451 V CB 1.096 32.873 31.823 -0.078 0.000 0.994 451 V HN 1.200 nan 8.190 nan 0.000 0.442 452 S N 2.481 118.128 115.700 -0.089 0.000 2.726 452 S HA 0.882 5.352 4.470 -0.000 0.000 0.308 452 S C -0.290 174.141 174.600 -0.281 0.000 1.115 452 S CA -0.404 57.692 58.200 -0.173 0.000 0.965 452 S CB 1.853 65.019 63.200 -0.056 0.000 1.145 452 S HN 1.557 nan 8.310 nan 0.000 0.532 453 S N 0.198 115.571 115.700 -0.545 0.000 2.540 453 S HA 0.679 5.148 4.470 -0.000 0.000 0.275 453 S C -1.719 172.608 174.600 -0.455 0.000 1.123 453 S CA -0.880 56.951 58.200 -0.615 0.000 0.907 453 S CB 0.767 63.312 63.200 -1.091 0.000 1.081 453 S HN 0.854 nan 8.310 nan 0.000 0.476 454 Y N 2.047 122.162 120.300 -0.308 0.000 2.429 454 Y HA 0.635 5.185 4.550 -0.000 0.000 0.342 454 Y C 0.969 176.790 175.900 -0.131 0.000 1.004 454 Y CA -1.187 56.836 58.100 -0.130 0.000 1.075 454 Y CB 0.499 38.931 38.460 -0.047 0.000 1.214 454 Y HN 0.497 nan 8.280 nan 0.000 0.455 455 I N 1.775 122.335 120.570 -0.017 0.000 2.335 455 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 455 I C 1.818 177.536 176.117 -0.665 0.000 1.129 455 I CA 1.456 62.577 61.300 -0.298 0.000 1.402 455 I CB -0.272 37.579 38.000 -0.249 0.000 1.069 455 I HN 0.759 nan 8.210 nan 0.000 0.424 456 K N 0.361 120.557 120.400 -0.340 0.000 2.063 456 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 456 K C 1.751 178.200 176.600 -0.252 0.000 1.048 456 K CA 1.993 58.161 56.287 -0.197 0.000 0.928 456 K CB -0.277 32.315 32.500 0.152 0.000 0.713 456 K HN 0.245 nan 8.250 nan 0.000 0.442 457 D N 0.287 120.347 120.400 -0.567 0.000 2.144 457 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 457 D C 1.737 177.831 176.300 -0.344 0.000 0.978 457 D CA 0.923 54.569 54.000 -0.589 0.000 0.833 457 D CB 0.233 40.300 40.800 -1.221 0.000 0.961 457 D HN 0.070 nan 8.370 nan 0.000 0.470 458 V N -1.570 118.147 119.914 -0.329 0.000 2.871 458 V HA -0.007 4.113 4.120 -0.000 0.000 0.256 458 V C 1.877 177.982 176.094 0.018 0.000 1.082 458 V CA 0.996 63.222 62.300 -0.123 0.000 1.105 458 V CB -1.015 30.802 31.823 -0.009 0.000 0.713 458 V HN 0.210 nan 8.190 nan 0.000 0.473 459 F N 0.713 120.643 119.950 -0.033 0.000 2.186 459 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 459 F C 2.836 178.593 175.800 -0.073 0.000 1.090 459 F CA 1.406 59.387 58.000 -0.032 0.000 1.307 459 F CB -0.157 38.809 39.000 -0.056 0.000 1.019 459 F HN 0.093 nan 8.300 nan 0.000 0.489 460 R N 0.350 120.899 120.500 0.081 0.000 2.096 460 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 460 R C 2.305 178.616 176.300 0.019 0.000 1.127 460 R CA 1.119 57.218 56.100 -0.001 0.000 0.968 460 R CB -0.569 29.725 30.300 -0.009 0.000 0.861 460 R HN 0.221 nan 8.270 nan 0.000 0.440 461 A N 0.899 123.732 122.820 0.023 0.000 2.119 461 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 461 A C 1.070 178.682 177.584 0.048 0.000 1.152 461 A CA 0.457 52.511 52.037 0.029 0.000 0.708 461 A CB -0.019 18.988 19.000 0.012 0.000 0.805 461 A HN 0.090 nan 8.150 nan 0.000 0.460 462 I N 0.664 121.275 120.570 0.069 0.000 2.385 462 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 462 I C -2.417 173.734 176.117 0.056 0.000 0.988 462 I CA -2.545 58.799 61.300 0.074 0.000 1.265 462 I CB 1.514 39.585 38.000 0.119 0.000 1.388 462 I HN -0.055 nan 8.210 nan 0.000 0.480 463 P HA -0.053 nan 4.420 nan 0.000 0.264 463 P C 0.710 178.030 177.300 0.032 0.000 1.183 463 P CA 0.351 63.475 63.100 0.040 0.000 0.763 463 P CB 0.678 32.399 31.700 0.034 0.000 0.807 464 S N 2.545 118.261 115.700 0.028 0.000 2.380 464 S HA -0.264 4.206 4.470 -0.000 0.000 0.229 464 S C 1.565 176.174 174.600 0.014 0.000 1.043 464 S CA 1.696 59.904 58.200 0.013 0.000 1.038 464 S CB -0.500 62.718 63.200 0.030 0.000 0.872 464 S HN 0.518 nan 8.310 nan 0.000 0.456 465 E N -0.196 120.015 120.200 0.019 0.000 2.204 465 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 465 E C 2.019 178.624 176.600 0.009 0.000 0.989 465 E CA 1.159 57.566 56.400 0.013 0.000 0.824 465 E CB -0.054 29.653 29.700 0.012 0.000 0.756 465 E HN 0.601 nan 8.360 nan 0.000 0.477 466 V N -0.673 119.248 119.914 0.012 0.000 2.871 466 V HA -0.109 4.011 4.120 -0.000 0.000 0.256 466 V C 1.859 177.954 176.094 0.002 0.000 1.082 466 V CA 0.791 63.091 62.300 0.001 0.000 1.105 466 V CB -0.090 31.735 31.823 0.004 0.000 0.713 466 V HN 0.105 nan 8.190 nan 0.000 0.473 467 L N 0.715 121.960 121.223 0.037 0.000 2.056 467 L HA -0.006 4.333 4.340 -0.000 0.000 0.207 467 L C 2.834 179.758 176.870 0.091 0.000 1.078 467 L CA 2.307 57.204 54.840 0.094 0.000 0.749 467 L CB -1.034 41.051 42.059 0.043 0.000 0.901 467 L HN 0.393 nan 8.230 nan 0.000 0.433 468 S N -0.416 115.304 115.700 0.034 0.000 2.353 468 S HA -0.183 4.286 4.470 -0.000 0.000 0.222 468 S C 1.763 176.370 174.600 0.011 0.000 1.035 468 S CA 1.531 59.745 58.200 0.024 0.000 1.025 468 S CB -0.335 62.870 63.200 0.008 0.000 0.902 468 S HN 0.523 nan 8.310 nan 0.000 0.440 469 N N 0.461 119.153 118.700 -0.014 0.000 2.309 469 N HA 0.012 4.752 4.740 -0.000 0.000 0.182 469 N C 1.662 177.120 175.510 -0.085 0.000 1.018 469 N CA 0.743 53.771 53.050 -0.037 0.000 0.876 469 N CB -0.085 38.379 38.487 -0.037 0.000 0.972 469 N HN 0.252 nan 8.380 nan 0.000 0.434 470 S N -0.144 115.471 115.700 -0.142 0.000 2.377 470 S HA -0.017 4.453 4.470 -0.000 0.000 0.223 470 S C 0.858 175.181 174.600 -0.461 0.000 1.030 470 S CA 0.843 58.831 58.200 -0.352 0.000 0.970 470 S CB -0.012 62.863 63.200 -0.541 0.000 0.830 470 S HN 0.409 nan 8.310 nan 0.000 0.473 471 Y N 1.164 121.440 120.300 -0.041 0.000 2.612 471 Y HA 0.370 4.920 4.550 -0.000 0.000 0.250 471 Y C 0.422 176.296 175.900 -0.043 0.000 1.175 471 Y CA -0.748 57.325 58.100 -0.045 0.000 1.205 471 Y CB -0.131 38.286 38.460 -0.072 0.000 1.201 471 Y HN 0.060 nan 8.280 nan 0.000 0.532 472 N N 0.713 119.451 118.700 0.063 0.000 2.721 472 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 472 N C -0.680 174.851 175.510 0.034 0.000 1.072 472 N CA 0.750 53.820 53.050 0.034 0.000 0.710 472 N CB -1.489 37.012 38.487 0.024 0.000 0.993 472 N HN 0.418 nan 8.380 nan 0.000 0.547 473 L N -0.128 121.120 121.223 0.042 0.000 2.399 473 L HA 0.546 4.886 4.340 -0.000 0.000 0.265 473 L C 1.556 178.427 176.870 0.001 0.000 1.089 473 L CA -0.584 54.263 54.840 0.011 0.000 0.802 473 L CB 0.944 42.995 42.059 -0.012 0.000 1.180 473 L HN 0.129 nan 8.230 nan 0.000 0.454 474 G N -0.125 108.670 108.800 -0.008 0.000 2.476 474 G HA2 0.188 4.148 3.960 -0.000 0.000 0.286 474 G HA3 0.188 4.148 3.960 -0.000 0.000 0.286 474 G C 0.313 175.209 174.900 -0.006 0.000 1.177 474 G CA -0.315 44.782 45.100 -0.004 0.000 0.870 474 G HN 0.656 nan 8.290 nan 0.000 0.528 475 Q N 0.683 120.485 119.800 0.002 0.000 2.173 475 Q HA -0.201 4.139 4.340 -0.000 0.000 0.208 475 Q C 2.661 178.668 176.000 0.012 0.000 0.989 475 Q CA 2.518 58.327 55.803 0.009 0.000 0.872 475 Q CB -0.320 28.428 28.738 0.017 0.000 0.909 475 Q HN 0.602 nan 8.270 nan 0.000 0.420 476 S N -1.267 114.439 115.700 0.010 0.000 2.406 476 S HA -0.128 4.341 4.470 -0.000 0.000 0.228 476 S C 1.743 176.344 174.600 0.000 0.000 1.020 476 S CA 1.145 59.354 58.200 0.015 0.000 0.965 476 S CB -0.072 63.135 63.200 0.013 0.000 0.798 476 S HN 0.530 nan 8.310 nan 0.000 0.488 477 Q N 0.072 119.860 119.800 -0.020 0.000 2.137 477 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 477 Q C 2.261 178.212 176.000 -0.080 0.000 0.960 477 Q CA 1.364 57.140 55.803 -0.045 0.000 0.847 477 Q CB -0.137 28.569 28.738 -0.053 0.000 0.915 477 Q HN 0.440 nan 8.270 nan 0.000 0.448 478 V N 0.794 120.660 119.914 -0.081 0.000 2.295 478 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 478 V C 2.276 178.302 176.094 -0.114 0.000 1.049 478 V CA 1.948 64.174 62.300 -0.124 0.000 1.024 478 V CB -0.458 31.317 31.823 -0.079 0.000 0.648 478 V HN 0.237 nan 8.190 nan 0.000 0.447 479 R N 1.080 121.561 120.500 -0.031 0.000 2.096 479 R HA -0.264 4.076 4.340 -0.000 0.000 0.240 479 R C 2.404 178.729 176.300 0.041 0.000 1.139 479 R CA 2.424 58.554 56.100 0.051 0.000 0.952 479 R CB -0.661 29.705 30.300 0.110 0.000 0.854 479 R HN 0.726 nan 8.270 nan 0.000 0.436 480 Q N -0.224 119.587 119.800 0.018 0.000 2.224 480 Q HA -0.077 4.263 4.340 -0.000 0.000 0.203 480 Q C 1.757 177.749 176.000 -0.012 0.000 0.970 480 Q CA 1.692 57.509 55.803 0.024 0.000 0.865 480 Q CB -0.220 28.525 28.738 0.012 0.000 0.922 480 Q HN 0.492 nan 8.270 nan 0.000 0.445 481 L N -0.261 120.913 121.223 -0.082 0.000 2.131 481 L HA -0.012 4.327 4.340 -0.000 0.000 0.206 481 L C 2.435 179.277 176.870 -0.046 0.000 1.087 481 L CA 1.121 55.916 54.840 -0.074 0.000 0.767 481 L CB -0.281 41.640 42.059 -0.229 0.000 0.917 481 L HN 0.228 nan 8.230 nan 0.000 0.441 482 K N -0.413 119.861 120.400 -0.210 0.000 2.025 482 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 482 K C 1.675 178.031 176.600 -0.407 0.000 1.049 482 K CA 1.582 57.623 56.287 -0.410 0.000 0.933 482 K CB -0.001 31.963 32.500 -0.893 0.000 0.714 482 K HN 0.192 nan 8.250 nan 0.000 0.438 483 Y N 0.257 120.590 120.300 0.055 0.000 2.449 483 Y HA 0.200 4.750 4.550 -0.000 0.000 0.254 483 Y C 1.009 176.936 175.900 0.046 0.000 1.140 483 Y CA -0.241 57.888 58.100 0.048 0.000 1.272 483 Y CB 0.266 38.746 38.460 0.033 0.000 1.114 483 Y HN -0.064 nan 8.280 nan 0.000 0.525 484 Q N -0.049 119.837 119.800 0.143 0.000 2.199 484 Q HA 0.564 4.904 4.340 -0.000 0.000 0.205 484 Q C 0.785 176.840 176.000 0.093 0.000 1.001 484 Q CA 0.425 56.293 55.803 0.108 0.000 1.019 484 Q CB 1.442 30.227 28.738 0.078 0.000 1.132 484 Q HN 0.416 nan 8.270 nan 0.000 0.530 485 G N 0.858 109.703 108.800 0.075 0.000 2.587 485 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.212 485 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.212 485 G C -0.816 174.122 174.900 0.064 0.000 1.327 485 G CA -0.286 44.855 45.100 0.070 0.000 0.898 485 G HN 0.700 nan 8.290 nan 0.000 0.551 486 N N -1.529 117.205 118.700 0.056 0.000 2.552 486 N HA -0.108 4.632 4.740 -0.000 0.000 0.276 486 N C 0.670 176.232 175.510 0.087 0.000 1.526 486 N CA 1.161 54.242 53.050 0.051 0.000 1.048 486 N CB -1.007 37.506 38.487 0.043 0.000 0.866 486 N HN 0.977 nan 8.380 nan 0.000 0.477 487 S N -0.176 115.580 115.700 0.093 0.000 2.497 487 S HA 0.239 4.709 4.470 -0.000 0.000 0.221 487 S C 1.105 175.834 174.600 0.214 0.000 1.037 487 S CA 0.556 58.845 58.200 0.148 0.000 0.920 487 S CB 0.471 63.747 63.200 0.128 0.000 0.800 487 S HN 0.681 nan 8.310 nan 0.000 0.505 488 G N 1.703 110.559 108.800 0.094 0.000 2.537 488 G HA2 0.379 4.339 3.960 -0.000 0.000 0.297 488 G HA3 0.379 4.339 3.960 -0.000 0.000 0.297 488 G C -1.947 172.748 174.900 -0.343 0.000 1.310 488 G CA -0.967 44.110 45.100 -0.039 0.000 1.027 488 G HN 0.066 nan 8.290 nan 0.000 0.505 489 P HA 0.045 nan 4.420 nan 0.000 0.231 489 P C 0.362 177.412 177.300 -0.416 0.000 1.168 489 P CA 0.514 63.108 63.100 -0.844 0.000 0.779 489 P CB 0.278 31.271 31.700 -1.178 0.000 0.844 490 L N 0.791 121.784 121.223 -0.384 0.000 2.261 490 L HA 0.290 4.630 4.340 -0.000 0.000 0.289 490 L C 0.008 176.801 176.870 -0.130 0.000 1.059 490 L CA -0.745 53.938 54.840 -0.262 0.000 0.816 490 L CB 1.422 43.299 42.059 -0.305 0.000 1.191 490 L HN -0.306 nan 8.230 nan 0.000 0.431 491 V N 2.940 122.816 119.914 -0.064 0.000 2.435 491 V HA 0.252 4.372 4.120 -0.000 0.000 0.290 491 V C -0.113 175.977 176.094 -0.007 0.000 1.030 491 V CA -0.757 61.533 62.300 -0.018 0.000 0.881 491 V CB 1.883 33.717 31.823 0.019 0.000 0.983 491 V HN 0.880 nan 8.190 nan 0.000 0.445 492 N N 5.503 124.201 118.700 -0.002 0.000 2.469 492 N HA 0.647 5.387 4.740 -0.000 0.000 0.253 492 N C -2.438 173.083 175.510 0.018 0.000 0.970 492 N CA -1.118 51.938 53.050 0.011 0.000 0.940 492 N CB 1.665 40.154 38.487 0.003 0.000 1.128 492 N HN 0.472 nan 8.380 nan 0.000 0.503 493 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 31.718 31.700 0.029 0.000 0.726