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 2fn0_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKISEFLHLA LPEEQWLPTI SGVLRQFAEE ECYVYERPPC WYLGKGCQAR DATA SEQUENCE LHINADGTQA TFIDDAGEQK WAVDSIADCA RRFMAHPQVK GRRVYGQVGF DATA SEQUENCE NFAAHARGIA FNAGEWPLLT LTVPREELIF EKGNVTVYAD XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXPLAVDTAL NGEAYKQQVA RAVAEIRRGE YVKVIVSRAI DATA SEQUENCE PLPSRIDMPA TLLYGRQANT PVRSFMFRQE GREALGFSPE LVMSVTGNKV DATA SEQUENCE VTEPLAGTRD RMGNPEHNKA KEAELLHDSK EVLEHILSVK EAIAELEAVC DATA SEQUENCE LPGSVVVEDL MSVRQRGSVQ HLGSGVSGQL AENKDAWDAF TVLFPSITAS DATA SEQUENCE GIPKNAALNA IMQIEKTPRE LYSGAILLLD DTRFDAALVL RSVFQDSQRC DATA SEQUENCE WIQAGAGIIA QSTPERELTE TREKLASIAP YLMV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.331 176.300 0.052 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.620 32.600 0.032 0.000 1.302 2 K N 2.873 123.318 120.400 0.075 0.000 2.182 2 K HA 0.907 5.235 4.320 0.012 0.000 0.262 2 K C -0.043 176.637 176.600 0.134 0.000 0.957 2 K CA -0.813 55.541 56.287 0.111 0.000 0.842 2 K CB 2.244 34.831 32.500 0.146 0.000 1.099 2 K HN 0.992 nan 8.250 nan 0.000 0.438 3 I N -0.554 120.080 120.570 0.106 0.000 2.532 3 I HA 0.363 4.540 4.170 0.012 0.000 0.292 3 I C -0.102 176.057 176.117 0.069 0.000 1.014 3 I CA -0.033 61.314 61.300 0.077 0.000 1.340 3 I CB 1.536 39.561 38.000 0.042 0.000 1.422 3 I HN 0.520 nan 8.210 nan 0.000 0.528 4 S N 3.445 119.148 115.700 0.005 0.000 2.568 4 S HA 0.656 5.133 4.470 0.012 0.000 0.293 4 S C -0.892 173.636 174.600 -0.120 0.000 1.089 4 S CA -0.737 57.368 58.200 -0.157 0.000 0.945 4 S CB 1.960 64.963 63.200 -0.329 0.000 1.077 4 S HN 0.902 nan 8.310 nan 0.000 0.485 5 E N 0.733 120.835 120.200 -0.163 0.000 2.308 5 E HA 0.510 4.868 4.350 0.012 0.000 0.275 5 E C -2.086 174.484 176.600 -0.050 0.000 0.890 5 E CA -0.721 55.636 56.400 -0.072 0.000 0.754 5 E CB 1.626 31.287 29.700 -0.065 0.000 1.207 5 E HN 0.617 nan 8.360 nan 0.000 0.426 6 F N 5.375 125.245 119.950 -0.133 0.000 2.444 6 F HA 0.536 5.070 4.527 0.012 0.000 0.342 6 F C -1.746 174.005 175.800 -0.081 0.000 1.121 6 F CA -0.566 57.362 58.000 -0.121 0.000 0.997 6 F CB 0.681 39.628 39.000 -0.089 0.000 1.130 6 F HN 0.341 nan 8.300 nan 0.000 0.454 7 L N 6.450 127.178 121.223 -0.825 0.000 2.356 7 L HA 0.314 4.661 4.340 0.012 0.000 0.277 7 L C -0.690 175.692 176.870 -0.812 0.000 0.996 7 L CA -0.806 53.661 54.840 -0.623 0.000 0.822 7 L CB 1.516 43.365 42.059 -0.350 0.000 1.256 7 L HN 0.571 nan 8.230 nan 0.000 0.413 8 H N 5.266 123.971 119.070 -0.608 0.000 2.782 8 H HA 0.358 4.921 4.556 0.012 0.000 0.285 8 H C -1.038 174.174 175.328 -0.193 0.000 1.093 8 H CA -0.464 55.367 56.048 -0.362 0.000 1.410 8 H CB 0.781 30.455 29.762 -0.145 0.000 1.439 8 H HN 0.475 nan 8.280 nan 0.000 0.469 9 L N 4.877 125.885 121.223 -0.358 0.000 2.281 9 L HA 0.291 4.638 4.340 0.012 0.000 0.285 9 L C 0.990 177.797 176.870 -0.104 0.000 1.074 9 L CA -0.789 53.962 54.840 -0.149 0.000 0.817 9 L CB 1.147 43.133 42.059 -0.122 0.000 1.168 9 L HN 0.605 nan 8.230 nan 0.000 0.434 10 A N 6.457 129.356 122.820 0.131 0.000 3.048 10 A HA 0.457 4.784 4.320 0.012 0.000 0.264 10 A C 0.025 177.697 177.584 0.147 0.000 1.796 10 A CA -0.117 52.051 52.037 0.219 0.000 1.445 10 A CB -0.715 18.399 19.000 0.190 0.000 1.074 10 A HN 0.646 nan 8.150 nan 0.000 0.621 11 L N 1.599 122.925 121.223 0.172 0.000 2.334 11 L HA 0.449 4.796 4.340 0.012 0.000 0.276 11 L C -2.275 174.740 176.870 0.242 0.000 1.014 11 L CA -2.275 52.691 54.840 0.210 0.000 0.815 11 L CB 2.217 44.451 42.059 0.292 0.000 1.268 11 L HN 0.257 nan 8.230 nan 0.000 0.428 12 P HA 0.113 nan 4.420 nan 0.000 0.275 12 P C 0.395 177.312 177.300 -0.637 0.000 1.228 12 P CA -0.404 62.588 63.100 -0.180 0.000 0.786 12 P CB 0.937 32.544 31.700 -0.154 0.000 0.927 13 E N 1.998 121.533 120.200 -1.109 0.000 2.108 13 E HA -0.359 3.998 4.350 0.012 0.000 0.203 13 E C 2.098 178.088 176.600 -1.017 0.000 1.022 13 E CA 2.401 57.656 56.400 -1.909 0.000 0.823 13 E CB -0.252 28.716 29.700 -1.219 0.000 0.744 13 E HN 0.613 nan 8.360 nan 0.000 0.456 14 E N 0.283 120.149 120.200 -0.556 0.000 2.233 14 E HA -0.260 4.097 4.350 0.012 0.000 0.199 14 E C 1.797 178.243 176.600 -0.256 0.000 1.004 14 E CA 1.711 57.916 56.400 -0.326 0.000 0.819 14 E CB -0.564 28.996 29.700 -0.232 0.000 0.738 14 E HN 0.220 nan 8.360 nan 0.000 0.478 15 Q N -1.825 117.823 119.800 -0.253 0.000 2.319 15 Q HA 0.047 4.394 4.340 0.012 0.000 0.202 15 Q C 1.586 177.607 176.000 0.035 0.000 0.896 15 Q CA 0.009 55.753 55.803 -0.098 0.000 0.942 15 Q CB 0.063 28.776 28.738 -0.041 0.000 1.083 15 Q HN 0.800 nan 8.270 nan 0.000 0.510 16 W N 0.492 121.703 121.300 -0.150 0.000 2.378 16 W HA -0.024 4.643 4.660 0.011 0.000 0.313 16 W C 1.936 178.237 176.519 -0.363 0.000 1.197 16 W CA 0.190 57.415 57.345 -0.200 0.000 1.304 16 W CB -1.103 28.277 29.460 -0.134 0.000 1.148 16 W HN 0.135 nan 8.180 nan 0.000 0.494 17 L N 0.061 121.210 121.223 -0.124 0.000 2.056 17 L HA -0.131 4.216 4.340 0.012 0.000 0.207 17 L C -0.369 176.309 176.870 -0.321 0.000 1.078 17 L CA 1.504 56.128 54.840 -0.360 0.000 0.749 17 L CB -1.784 40.106 42.059 -0.282 0.000 0.901 17 L HN -0.151 nan 8.230 nan 0.000 0.433 18 P HA -0.156 nan 4.420 nan 0.000 0.216 18 P C 1.451 178.643 177.300 -0.180 0.000 1.150 18 P CA 1.566 64.563 63.100 -0.171 0.000 0.843 18 P CB -0.001 31.624 31.700 -0.124 0.000 0.787 19 T N -1.032 113.413 114.554 -0.182 0.000 2.812 19 T HA -0.040 4.317 4.350 0.012 0.000 0.264 19 T C 1.737 176.230 174.700 -0.344 0.000 1.042 19 T CA 0.922 62.916 62.100 -0.176 0.000 1.140 19 T CB -0.778 68.047 68.868 -0.073 0.000 0.870 19 T HN 0.060 nan 8.240 nan 0.000 0.445 20 I N 1.950 122.153 120.570 -0.612 0.000 2.179 20 I HA -0.197 3.980 4.170 0.012 0.000 0.242 20 I C 2.763 178.560 176.117 -0.534 0.000 1.088 20 I CA 1.391 62.176 61.300 -0.858 0.000 1.357 20 I CB -0.399 36.885 38.000 -1.192 0.000 1.051 20 I HN 0.293 nan 8.210 nan 0.000 0.409 21 S N 0.670 116.120 115.700 -0.416 0.000 2.402 21 S HA -0.076 4.401 4.470 0.012 0.000 0.229 21 S C 2.163 176.627 174.600 -0.226 0.000 1.021 21 S CA 0.892 58.922 58.200 -0.283 0.000 0.974 21 S CB -1.231 61.854 63.200 -0.193 0.000 0.800 21 S HN 0.503 nan 8.310 nan 0.000 0.484 22 G N 1.743 110.422 108.800 -0.201 0.000 2.418 22 G HA2 -0.113 3.855 3.960 0.012 0.000 0.217 22 G HA3 -0.113 3.855 3.960 0.012 0.000 0.217 22 G C 1.421 176.225 174.900 -0.159 0.000 1.158 22 G CA 0.940 45.954 45.100 -0.142 0.000 0.771 22 G HN 0.456 nan 8.290 nan 0.000 0.545 23 V N 0.863 120.654 119.914 -0.205 0.000 2.287 23 V HA -0.177 3.951 4.120 0.012 0.000 0.248 23 V C 2.705 178.462 176.094 -0.561 0.000 1.053 23 V CA 1.763 63.909 62.300 -0.257 0.000 1.027 23 V CB -0.568 31.163 31.823 -0.152 0.000 0.646 23 V HN 0.362 nan 8.190 nan 0.000 0.447 24 L N 0.311 121.177 121.223 -0.595 0.000 2.079 24 L HA -0.186 4.162 4.340 0.012 0.000 0.210 24 L C 2.566 179.250 176.870 -0.310 0.000 1.081 24 L CA 2.139 56.601 54.840 -0.631 0.000 0.752 24 L CB -0.722 41.120 42.059 -0.361 0.000 0.896 24 L HN 0.212 nan 8.230 nan 0.000 0.433 25 R N -1.201 119.182 120.500 -0.194 0.000 2.105 25 R HA -0.185 4.163 4.340 0.012 0.000 0.239 25 R C 2.141 178.426 176.300 -0.024 0.000 1.135 25 R CA 1.472 57.522 56.100 -0.084 0.000 0.967 25 R CB -0.108 30.151 30.300 -0.070 0.000 0.861 25 R HN 0.453 nan 8.270 nan 0.000 0.442 26 Q N -0.413 119.371 119.800 -0.026 0.000 2.291 26 Q HA -0.121 4.226 4.340 0.012 0.000 0.205 26 Q C 1.662 177.817 176.000 0.259 0.000 0.970 26 Q CA 0.921 56.779 55.803 0.092 0.000 0.876 26 Q CB -0.121 28.680 28.738 0.105 0.000 0.935 26 Q HN 0.330 nan 8.270 nan 0.000 0.455 27 F N 0.331 120.280 119.950 -0.001 0.000 2.546 27 F HA -0.002 4.532 4.527 0.012 0.000 0.298 27 F C 1.868 177.657 175.800 -0.018 0.000 1.120 27 F CA 0.079 58.075 58.000 -0.006 0.000 1.456 27 F CB -1.131 37.862 39.000 -0.010 0.000 1.088 27 F HN 0.077 nan 8.300 nan 0.000 0.572 28 A N 0.677 123.594 122.820 0.162 0.000 5.175 28 A HA -0.421 3.906 4.320 0.012 0.000 0.332 28 A C 1.639 179.255 177.584 0.054 0.000 1.800 28 A CA 2.819 54.901 52.037 0.075 0.000 0.707 28 A CB -1.783 nan 19.000 nan 0.000 1.405 28 A HN 0.463 nan 8.150 nan 0.000 0.388 29 E N 0.227 120.445 120.200 0.031 0.000 2.498 29 E HA 0.442 4.800 4.350 0.012 0.000 0.203 29 E C 0.596 177.192 176.600 -0.008 0.000 1.013 29 E CA 1.270 57.673 56.400 0.006 0.000 0.927 29 E CB -0.079 29.619 29.700 -0.003 0.000 1.012 29 E HN 0.940 nan 8.360 nan 0.000 0.482 30 E N 0.933 121.131 120.200 -0.004 0.000 2.404 30 E HA 0.084 4.441 4.350 0.012 0.000 0.261 30 E C -0.398 176.164 176.600 -0.064 0.000 1.074 30 E CA -0.368 56.005 56.400 -0.045 0.000 0.917 30 E CB 0.460 30.108 29.700 -0.088 0.000 0.965 30 E HN 0.438 nan 8.360 nan 0.000 0.433 31 E N 1.850 121.997 120.200 -0.088 0.000 2.452 31 E HA 0.092 4.449 4.350 0.012 0.000 0.261 31 E C -0.404 176.051 176.600 -0.243 0.000 0.987 31 E CA 0.169 56.484 56.400 -0.142 0.000 0.926 31 E CB 0.208 29.866 29.700 -0.070 0.000 0.934 31 E HN 0.566 nan 8.360 nan 0.000 0.452 32 C N 1.458 120.480 119.300 -0.463 0.000 3.306 32 C HA 0.673 5.140 4.460 0.012 0.000 0.335 32 C C -1.828 172.648 174.990 -0.856 0.000 1.382 32 C CA -1.072 57.678 59.018 -0.447 0.000 1.254 32 C CB 0.430 28.233 27.740 0.105 0.000 1.555 32 C HN 0.727 nan 8.230 nan 0.000 0.463 33 Y N -0.119 120.243 120.300 0.104 0.000 2.441 33 Y HA 0.693 5.250 4.550 0.012 0.000 0.334 33 Y C -0.384 175.625 175.900 0.182 0.000 1.061 33 Y CA -0.900 57.249 58.100 0.082 0.000 1.032 33 Y CB 2.059 40.298 38.460 -0.368 0.000 1.266 33 Y HN 0.693 nan 8.280 nan 0.000 0.441 34 V N 3.585 123.787 119.914 0.480 0.000 2.588 34 V HA 0.445 4.572 4.120 0.012 0.000 0.304 34 V C -1.574 174.927 176.094 0.678 0.000 1.042 34 V CA -1.064 61.560 62.300 0.540 0.000 0.877 34 V CB 1.996 34.072 31.823 0.422 0.000 0.996 34 V HN 0.667 nan 8.190 nan 0.000 0.425 35 Y N 2.855 123.479 120.300 0.541 0.000 2.361 35 Y HA 0.445 5.003 4.550 0.013 0.000 0.328 35 Y C -0.207 175.824 175.900 0.218 0.000 1.044 35 Y CA -0.611 57.724 58.100 0.392 0.000 1.085 35 Y CB 1.791 40.480 38.460 0.381 0.000 1.194 35 Y HN 0.744 nan 8.280 nan 0.000 0.438 36 E N 6.387 126.297 120.200 -0.484 0.000 2.146 36 E HA 0.348 4.705 4.350 0.012 0.000 0.282 36 E C -1.004 175.264 176.600 -0.553 0.000 0.989 36 E CA -0.732 55.134 56.400 -0.889 0.000 0.799 36 E CB 0.767 29.465 29.700 -1.671 0.000 1.088 36 E HN 0.725 nan 8.360 nan 0.000 0.397 37 R N 4.538 124.927 120.500 -0.186 0.000 2.545 37 R HA 0.336 4.684 4.340 0.012 0.000 0.289 37 R C -2.618 173.676 176.300 -0.010 0.000 1.327 37 R CA -1.311 54.768 56.100 -0.035 0.000 1.040 37 R CB 1.670 32.105 30.300 0.224 0.000 1.176 37 R HN 0.411 nan 8.270 nan 0.000 0.518 38 P HA -0.010 nan 4.420 nan 0.000 0.263 38 P C -1.951 175.370 177.300 0.034 0.000 1.175 38 P CA -0.645 62.439 63.100 -0.027 0.000 0.761 38 P CB 0.226 31.925 31.700 -0.001 0.000 0.794 39 P HA 0.237 nan 4.420 nan 0.000 0.256 39 P C -0.642 176.670 177.300 0.021 0.000 1.384 39 P CA 0.225 63.352 63.100 0.045 0.000 0.879 39 P CB -0.418 31.314 31.700 0.054 0.000 1.403 40 C N -0.668 118.606 119.300 -0.044 0.000 2.614 40 C HA 0.557 5.024 4.460 0.012 0.000 0.320 40 C C -0.609 174.268 174.990 -0.187 0.000 1.200 40 C CA -0.574 58.353 59.018 -0.152 0.000 1.700 40 C CB 0.797 28.247 27.740 -0.484 0.000 2.275 40 C HN 0.237 nan 8.230 nan 0.000 0.492 41 W N 1.229 122.451 121.300 -0.130 0.000 2.532 41 W HA 0.563 5.230 4.660 0.012 0.000 0.321 41 W C -0.882 175.660 176.519 0.039 0.000 1.037 41 W CA -0.224 57.142 57.345 0.035 0.000 1.220 41 W CB 0.650 30.140 29.460 0.051 0.000 1.361 41 W HN 0.571 nan 8.180 nan 0.000 0.468 42 Y N 3.951 124.577 120.300 0.543 0.000 2.331 42 Y HA 0.571 5.128 4.550 0.011 0.000 0.338 42 Y C -0.343 175.915 175.900 0.598 0.000 0.976 42 Y CA -0.971 57.457 58.100 0.546 0.000 1.137 42 Y CB 0.890 39.667 38.460 0.529 0.000 1.172 42 Y HN 0.031 nan 8.280 nan 0.000 0.478 43 L N 3.195 124.808 121.223 0.651 0.000 2.349 43 L HA 0.748 5.095 4.340 0.012 0.000 0.278 43 L C 0.302 177.420 176.870 0.413 0.000 0.996 43 L CA -0.276 54.882 54.840 0.530 0.000 0.825 43 L CB 1.940 44.320 42.059 0.535 0.000 1.243 43 L HN 0.774 nan 8.230 nan 0.000 0.412 44 G N 2.054 110.964 108.800 0.184 0.000 2.416 44 G HA2 0.652 4.619 3.960 0.012 0.000 0.329 44 G HA3 0.652 4.619 3.960 0.012 0.000 0.329 44 G C -1.342 173.616 174.900 0.097 0.000 1.173 44 G CA -0.496 44.631 45.100 0.045 0.000 0.929 44 G HN 0.468 nan 8.290 nan 0.000 0.475 45 K N 1.302 121.682 120.400 -0.032 0.000 2.378 45 K HA 0.631 4.959 4.320 0.012 0.000 0.252 45 K C 0.476 177.013 176.600 -0.106 0.000 0.931 45 K CA 0.328 56.470 56.287 -0.242 0.000 0.794 45 K CB 1.604 33.685 32.500 -0.698 0.000 1.181 45 K HN 1.497 nan 8.250 nan 0.000 0.425 46 G N 1.466 110.215 108.800 -0.086 0.000 2.750 46 G HA2 -0.260 3.708 3.960 0.012 0.000 0.228 46 G HA3 -0.260 3.708 3.960 0.012 0.000 0.228 46 G C -1.067 173.874 174.900 0.069 0.000 1.367 46 G CA -0.284 44.802 45.100 -0.024 0.000 0.871 46 G HN 0.923 nan 8.290 nan 0.000 0.560 47 C N 0.033 119.352 119.300 0.031 0.000 2.442 47 C HA 0.752 5.219 4.460 0.012 0.000 0.335 47 C C 1.246 176.229 174.990 -0.012 0.000 1.134 47 C CA 0.437 59.472 59.018 0.028 0.000 1.344 47 C CB 0.689 28.438 27.740 0.015 0.000 1.956 47 C HN 0.994 nan 8.230 nan 0.000 0.438 48 Q N 3.730 123.527 119.800 -0.005 0.000 2.165 48 Q HA 0.380 4.727 4.340 0.012 0.000 0.197 48 Q C 0.519 176.482 176.000 -0.063 0.000 0.952 48 Q CA 1.162 56.952 55.803 -0.022 0.000 0.848 48 Q CB 0.438 29.177 28.738 0.001 0.000 0.931 48 Q HN 0.913 nan 8.270 nan 0.000 0.470 49 A N 0.387 123.179 122.820 -0.046 0.000 2.517 49 A HA 0.670 4.997 4.320 0.012 0.000 0.297 49 A C -1.420 176.187 177.584 0.039 0.000 1.050 49 A CA -0.692 51.285 52.037 -0.101 0.000 0.694 49 A CB 1.633 20.604 19.000 -0.048 0.000 1.277 49 A HN 0.242 nan 8.150 nan 0.000 0.400 50 R N 1.586 122.000 120.500 -0.144 0.000 2.621 50 R HA 0.664 5.011 4.340 0.012 0.000 0.284 50 R C -2.023 174.043 176.300 -0.390 0.000 0.998 50 R CA -0.706 55.254 56.100 -0.234 0.000 0.895 50 R CB 1.574 31.750 30.300 -0.207 0.000 1.195 50 R HN 0.766 nan 8.270 nan 0.000 0.450 51 L N 3.929 124.703 121.223 -0.748 0.000 2.282 51 L HA 0.428 4.775 4.340 0.012 0.000 0.288 51 L C -1.251 175.421 176.870 -0.331 0.000 1.033 51 L CA -0.132 54.382 54.840 -0.544 0.000 0.807 51 L CB 1.192 42.831 42.059 -0.701 0.000 1.209 51 L HN 0.660 nan 8.230 nan 0.000 0.423 52 H N 6.686 125.583 119.070 -0.289 0.000 2.727 52 H HA 0.397 4.961 4.556 0.012 0.000 0.330 52 H C -1.414 173.836 175.328 -0.131 0.000 0.986 52 H CA -0.748 55.184 56.048 -0.193 0.000 1.251 52 H CB 1.315 30.980 29.762 -0.162 0.000 1.493 52 H HN 0.476 nan 8.280 nan 0.000 0.515 53 I N 5.881 126.213 120.570 -0.397 0.000 2.321 53 I HA 0.044 4.222 4.170 0.012 0.000 0.291 53 I C 0.752 176.655 176.117 -0.357 0.000 0.998 53 I CA -0.781 60.367 61.300 -0.252 0.000 1.227 53 I CB 0.670 38.575 38.000 -0.159 0.000 1.368 53 I HN 0.632 nan 8.210 nan 0.000 0.466 54 N N 5.412 124.049 118.700 -0.106 0.000 2.317 54 N HA 0.116 4.864 4.740 0.012 0.000 0.245 54 N C 0.923 176.448 175.510 0.025 0.000 1.294 54 N CA -0.048 53.011 53.050 0.015 0.000 0.924 54 N CB 0.595 39.174 38.487 0.154 0.000 1.186 54 N HN 0.586 nan 8.380 nan 0.000 0.495 55 A N -0.331 122.554 122.820 0.109 0.000 2.024 55 A HA -0.215 4.112 4.320 0.012 0.000 0.220 55 A C 1.003 178.730 177.584 0.238 0.000 1.164 55 A CA 2.008 54.149 52.037 0.172 0.000 0.643 55 A CB -0.758 18.366 19.000 0.208 0.000 0.806 55 A HN 0.870 nan 8.150 nan 0.000 0.451 56 D N -3.240 117.269 120.400 0.181 0.000 2.395 56 D HA 0.324 4.971 4.640 0.012 0.000 0.213 56 D C 1.011 177.434 176.300 0.205 0.000 1.110 56 D CA 0.556 54.691 54.000 0.225 0.000 0.835 56 D CB -0.651 40.181 40.800 0.053 0.000 0.965 56 D HN 0.671 nan 8.370 nan 0.000 0.505 57 G N 0.594 109.413 108.800 0.031 0.000 2.179 57 G HA2 -0.357 3.610 3.960 0.012 0.000 0.257 57 G HA3 -0.357 3.610 3.960 0.012 0.000 0.257 57 G C 1.051 175.946 174.900 -0.009 0.000 1.010 57 G CA 1.114 46.076 45.100 -0.229 0.000 0.736 57 G HN 0.600 nan 8.290 nan 0.000 0.513 58 T N -3.557 111.033 114.554 0.061 0.000 3.051 58 T HA 0.377 4.734 4.350 0.012 0.000 0.255 58 T C 0.820 175.562 174.700 0.070 0.000 1.085 58 T CA 1.089 63.239 62.100 0.083 0.000 1.109 58 T CB 0.472 69.382 68.868 0.070 0.000 0.921 58 T HN 0.490 nan 8.240 nan 0.000 0.488 59 Q N 0.637 120.473 119.800 0.061 0.000 2.310 59 Q HA 0.703 5.050 4.340 0.012 0.000 0.270 59 Q C -1.511 174.529 176.000 0.067 0.000 1.025 59 Q CA -0.783 55.061 55.803 0.068 0.000 0.772 59 Q CB 2.314 31.093 28.738 0.069 0.000 1.253 59 Q HN 0.437 nan 8.270 nan 0.000 0.450 60 A N 2.187 125.052 122.820 0.075 0.000 2.288 60 A HA 0.724 5.052 4.320 0.012 0.000 0.320 60 A C -0.563 177.023 177.584 0.003 0.000 1.217 60 A CA -0.394 51.678 52.037 0.060 0.000 0.840 60 A CB 0.933 20.010 19.000 0.129 0.000 1.179 60 A HN 0.571 nan 8.150 nan 0.000 0.504 61 T N 2.296 116.811 114.554 -0.065 0.000 2.812 61 T HA 0.481 4.838 4.350 0.012 0.000 0.282 61 T C -0.905 173.602 174.700 -0.323 0.000 0.990 61 T CA -0.118 61.879 62.100 -0.172 0.000 0.960 61 T CB 0.723 69.522 68.868 -0.115 0.000 0.948 61 T HN 0.482 nan 8.240 nan 0.000 0.438 62 F N 4.289 123.804 119.950 -0.726 0.000 2.415 62 F HA 0.711 5.246 4.527 0.012 0.000 0.348 62 F C -1.189 174.390 175.800 -0.369 0.000 1.119 62 F CA -1.269 56.293 58.000 -0.730 0.000 1.069 62 F CB 0.404 38.616 39.000 -1.313 0.000 1.124 62 F HN 0.385 nan 8.300 nan 0.000 0.472 63 I N 6.472 126.457 120.570 -0.975 0.000 2.436 63 I HA 0.389 4.566 4.170 0.012 0.000 0.289 63 I C -0.918 174.680 176.117 -0.865 0.000 1.010 63 I CA -0.305 60.575 61.300 -0.701 0.000 1.098 63 I CB 1.603 39.368 38.000 -0.391 0.000 1.266 63 I HN 0.652 nan 8.210 nan 0.000 0.434 64 D N 2.320 122.367 120.400 -0.589 0.000 3.009 64 D HA 0.171 4.818 4.640 0.012 0.000 0.318 64 D C 0.248 176.463 176.300 -0.142 0.000 1.273 64 D CA -0.449 53.342 54.000 -0.348 0.000 1.001 64 D CB 0.233 40.854 40.800 -0.298 0.000 1.411 64 D HN 0.333 nan 8.370 nan 0.000 0.577 65 D N -1.356 119.010 120.400 -0.058 0.000 2.371 65 D HA 0.154 4.801 4.640 0.012 0.000 0.221 65 D C 1.476 177.778 176.300 0.004 0.000 0.986 65 D CA 1.054 55.040 54.000 -0.025 0.000 0.899 65 D CB -0.099 40.698 40.800 -0.005 0.000 0.902 65 D HN 0.440 nan 8.370 nan 0.000 0.530 66 A N -0.690 122.150 122.820 0.034 0.000 2.218 66 A HA 0.563 4.890 4.320 0.012 0.000 0.209 66 A C 1.259 178.866 177.584 0.039 0.000 1.168 66 A CA 0.861 52.933 52.037 0.059 0.000 0.804 66 A CB -0.121 18.948 19.000 0.116 0.000 0.834 66 A HN 0.389 nan 8.150 nan 0.000 0.482 67 G N -0.967 107.831 108.800 -0.002 0.000 2.362 67 G HA2 0.021 3.988 3.960 0.012 0.000 0.517 67 G HA3 0.021 3.988 3.960 0.012 0.000 0.517 67 G C -0.989 173.881 174.900 -0.050 0.000 1.256 67 G CA -0.579 44.508 45.100 -0.023 0.000 1.027 67 G HN 0.270 nan 8.290 nan 0.000 0.491 68 E N 0.407 120.579 120.200 -0.048 0.000 2.266 68 E HA 0.491 4.849 4.350 0.012 0.000 0.277 68 E C -0.235 176.367 176.600 0.002 0.000 1.018 68 E CA -0.235 56.123 56.400 -0.070 0.000 0.840 68 E CB 1.274 30.923 29.700 -0.085 0.000 1.082 68 E HN 0.453 nan 8.360 nan 0.000 0.395 69 Q N 2.000 121.804 119.800 0.008 0.000 2.353 69 Q HA 0.330 4.678 4.340 0.012 0.000 0.268 69 Q C -0.829 175.148 176.000 -0.039 0.000 1.045 69 Q CA -1.003 54.838 55.803 0.064 0.000 0.811 69 Q CB 2.139 31.000 28.738 0.206 0.000 1.305 69 Q HN 0.084 nan 8.270 nan 0.000 0.447 70 K N 1.581 122.020 120.400 0.064 0.000 2.234 70 K HA 0.328 4.655 4.320 0.012 0.000 0.282 70 K C -0.904 175.870 176.600 0.291 0.000 1.039 70 K CA -0.135 56.204 56.287 0.087 0.000 0.928 70 K CB 0.956 33.507 32.500 0.086 0.000 1.039 70 K HN 0.454 nan 8.250 nan 0.000 0.470 71 W N 0.263 121.600 121.300 0.061 0.000 2.647 71 W HA 0.472 5.139 4.660 0.012 0.000 0.353 71 W C 0.207 176.743 176.519 0.029 0.000 1.080 71 W CA -1.577 55.791 57.345 0.039 0.000 1.208 71 W CB 0.798 30.280 29.460 0.036 0.000 1.396 71 W HN 0.550 nan 8.180 nan 0.000 0.573 72 A N 1.164 124.119 122.820 0.225 0.000 2.407 72 A HA 0.428 4.755 4.320 0.012 0.000 0.248 72 A C 0.404 178.067 177.584 0.132 0.000 1.082 72 A CA -0.304 51.811 52.037 0.130 0.000 0.785 72 A CB 0.328 19.364 19.000 0.060 0.000 1.020 72 A HN 0.797 nan 8.150 nan 0.000 0.489 73 V N -0.285 119.697 119.914 0.113 0.000 3.039 73 V HA 0.170 4.297 4.120 0.012 0.000 0.369 73 V C 0.226 176.387 176.094 0.111 0.000 1.344 73 V CA 0.066 62.437 62.300 0.119 0.000 1.270 73 V CB -0.523 31.374 31.823 0.124 0.000 1.284 73 V HN 0.724 nan 8.190 nan 0.000 0.518 74 D N 1.271 121.713 120.400 0.070 0.000 2.178 74 D HA -0.021 4.626 4.640 0.012 0.000 0.201 74 D C 1.049 177.374 176.300 0.041 0.000 0.980 74 D CA 1.547 55.573 54.000 0.043 0.000 0.842 74 D CB 0.368 41.178 40.800 0.017 0.000 0.948 74 D HN 0.579 nan 8.370 nan 0.000 0.472 75 S N -1.095 114.636 115.700 0.052 0.000 2.649 75 S HA 0.310 4.787 4.470 0.012 0.000 0.274 75 S C 0.881 175.523 174.600 0.070 0.000 1.176 75 S CA -0.708 57.524 58.200 0.054 0.000 0.988 75 S CB 0.656 63.870 63.200 0.023 0.000 1.071 75 S HN -0.075 nan 8.310 nan 0.000 0.478 76 I N 3.593 124.229 120.570 0.111 0.000 2.264 76 I HA -0.185 3.992 4.170 0.012 0.000 0.248 76 I C 2.656 178.796 176.117 0.038 0.000 1.111 76 I CA 1.706 63.066 61.300 0.100 0.000 1.382 76 I CB -0.352 37.754 38.000 0.176 0.000 1.060 76 I HN 0.769 nan 8.210 nan 0.000 0.418 77 A N 0.453 123.317 122.820 0.073 0.000 1.972 77 A HA -0.230 4.097 4.320 0.012 0.000 0.219 77 A C 1.917 179.382 177.584 -0.198 0.000 1.169 77 A CA 2.018 54.029 52.037 -0.044 0.000 0.635 77 A CB -0.503 18.596 19.000 0.164 0.000 0.810 77 A HN 0.357 nan 8.150 nan 0.000 0.446 78 D N -0.497 119.850 120.400 -0.088 0.000 2.144 78 D HA -0.096 4.551 4.640 0.012 0.000 0.200 78 D C 2.017 178.241 176.300 -0.127 0.000 0.978 78 D CA 1.218 55.155 54.000 -0.106 0.000 0.833 78 D CB -0.659 40.103 40.800 -0.063 0.000 0.961 78 D HN 0.448 nan 8.370 nan 0.000 0.470 79 C N 1.310 120.580 119.300 -0.050 0.000 2.413 79 C HA -0.096 4.371 4.460 0.012 0.000 0.276 79 C C 2.955 177.971 174.990 0.043 0.000 1.236 79 C CA 0.910 59.988 59.018 0.100 0.000 1.735 79 C CB -1.028 26.828 27.740 0.193 0.000 2.031 79 C HN 0.377 nan 8.230 nan 0.000 0.474 80 A N 0.738 123.406 122.820 -0.255 0.000 1.883 80 A HA -0.233 4.094 4.320 0.012 0.000 0.217 80 A C 2.193 179.512 177.584 -0.441 0.000 1.186 80 A CA 1.824 53.527 52.037 -0.556 0.000 0.624 80 A CB -0.602 17.492 19.000 -1.511 0.000 0.822 80 A HN 0.687 nan 8.150 nan 0.000 0.444 81 R N -1.113 119.082 120.500 -0.508 0.000 2.105 81 R HA -0.140 4.207 4.340 0.012 0.000 0.239 81 R C 2.527 178.779 176.300 -0.080 0.000 1.135 81 R CA 1.617 57.586 56.100 -0.217 0.000 0.967 81 R CB -0.326 29.886 30.300 -0.146 0.000 0.861 81 R HN 0.604 nan 8.270 nan 0.000 0.442 82 R N 0.174 120.608 120.500 -0.110 0.000 2.066 82 R HA -0.154 4.193 4.340 0.012 0.000 0.232 82 R C 2.059 178.386 176.300 0.046 0.000 1.131 82 R CA 1.451 57.445 56.100 -0.176 0.000 0.955 82 R CB -0.335 29.636 30.300 -0.547 0.000 0.851 82 R HN 0.144 nan 8.270 nan 0.000 0.432 83 F N 0.987 121.030 119.950 0.155 0.000 2.065 83 F HA -0.273 4.261 4.527 0.012 0.000 0.298 83 F C 2.035 177.919 175.800 0.140 0.000 1.112 83 F CA 1.707 59.853 58.000 0.244 0.000 1.212 83 F CB -0.089 39.030 39.000 0.198 0.000 0.975 83 F HN 0.030 nan 8.300 nan 0.000 0.476 84 M N -0.073 119.613 119.600 0.143 0.000 2.374 84 M HA -0.059 4.429 4.480 0.012 0.000 0.264 84 M C 2.316 178.603 176.300 -0.021 0.000 1.067 84 M CA 1.360 56.693 55.300 0.055 0.000 1.103 84 M CB -1.942 30.779 32.600 0.201 0.000 1.402 84 M HN 0.336 nan 8.290 nan 0.000 0.444 85 A N -1.402 121.409 122.820 -0.016 0.000 2.072 85 A HA -0.056 4.271 4.320 0.012 0.000 0.216 85 A C 1.179 178.725 177.584 -0.063 0.000 1.156 85 A CA 0.146 52.158 52.037 -0.042 0.000 0.701 85 A CB -0.737 18.226 19.000 -0.061 0.000 0.816 85 A HN 0.442 nan 8.150 nan 0.000 0.458 86 H N 0.655 119.623 119.070 -0.171 0.000 3.038 86 H HA 0.028 4.591 4.556 0.012 0.000 0.338 86 H C -1.698 173.550 175.328 -0.133 0.000 1.041 86 H CA -0.777 55.167 56.048 -0.174 0.000 1.394 86 H CB 0.963 30.590 29.762 -0.226 0.000 1.357 86 H HN 0.024 nan 8.280 nan 0.000 0.600 87 P HA -0.149 nan 4.420 nan 0.000 0.219 87 P C 1.336 178.692 177.300 0.093 0.000 1.146 87 P CA 1.246 64.290 63.100 -0.092 0.000 0.808 87 P CB 0.242 31.833 31.700 -0.183 0.000 0.779 88 Q N -0.864 119.181 119.800 0.407 0.000 2.291 88 Q HA -0.075 4.273 4.340 0.012 0.000 0.205 88 Q C 1.579 177.599 176.000 0.034 0.000 0.970 88 Q CA 1.249 57.187 55.803 0.225 0.000 0.876 88 Q CB -0.379 28.490 28.738 0.218 0.000 0.935 88 Q HN 0.088 nan 8.270 nan 0.000 0.455 89 V N -1.328 118.570 119.914 -0.027 0.000 3.151 89 V HA 0.180 4.307 4.120 0.012 0.000 0.241 89 V C 0.625 176.652 176.094 -0.112 0.000 1.173 89 V CA 0.625 62.820 62.300 -0.175 0.000 1.154 89 V CB -0.301 31.229 31.823 -0.489 0.000 0.898 89 V HN 0.245 nan 8.190 nan 0.000 0.473 90 K N 1.107 121.461 120.400 -0.076 0.000 2.511 90 K HA 0.346 4.674 4.320 0.012 0.000 0.280 90 K C 1.304 177.869 176.600 -0.057 0.000 1.008 90 K CA 0.718 56.969 56.287 -0.061 0.000 1.050 90 K CB -1.292 31.178 32.500 -0.050 0.000 0.889 90 K HN 1.531 nan 8.250 nan 0.000 0.484 91 G N 1.122 109.886 108.800 -0.061 0.000 2.143 91 G HA2 -0.191 3.776 3.960 0.012 0.000 0.248 91 G HA3 -0.191 3.776 3.960 0.012 0.000 0.248 91 G C 0.151 175.001 174.900 -0.083 0.000 0.991 91 G CA 0.383 45.445 45.100 -0.063 0.000 0.689 91 G HN 0.768 nan 8.290 nan 0.000 0.522 92 R N -0.410 120.035 120.500 -0.092 0.000 2.740 92 R HA 0.512 4.859 4.340 0.012 0.000 0.282 92 R C 0.483 176.706 176.300 -0.130 0.000 0.969 92 R CA -1.066 54.972 56.100 -0.103 0.000 0.918 92 R CB 1.014 31.269 30.300 -0.075 0.000 1.175 92 R HN 0.284 nan 8.270 nan 0.000 0.464 93 R N 0.610 121.017 120.500 -0.155 0.000 2.537 93 R HA 0.209 4.557 4.340 0.012 0.000 0.280 93 R C -0.310 175.838 176.300 -0.253 0.000 1.058 93 R CA 0.063 55.995 56.100 -0.281 0.000 1.057 93 R CB 0.617 30.704 30.300 -0.355 0.000 0.973 93 R HN 0.191 nan 8.270 nan 0.000 0.438 94 V N 4.845 124.543 119.914 -0.360 0.000 2.495 94 V HA 0.285 4.412 4.120 0.012 0.000 0.298 94 V C -1.046 174.769 176.094 -0.465 0.000 1.031 94 V CA -0.742 61.421 62.300 -0.228 0.000 0.871 94 V CB 1.370 33.147 31.823 -0.076 0.000 0.988 94 V HN 0.573 nan 8.190 nan 0.000 0.432 95 Y N 2.424 122.503 120.300 -0.368 0.000 2.331 95 Y HA 0.770 5.327 4.550 0.012 0.000 0.338 95 Y C 0.718 176.337 175.900 -0.470 0.000 0.992 95 Y CA -0.482 57.346 58.100 -0.452 0.000 1.121 95 Y CB 2.103 40.245 38.460 -0.530 0.000 1.184 95 Y HN 0.732 nan 8.280 nan 0.000 0.469 96 G N 1.985 110.601 108.800 -0.307 0.000 2.574 96 G HA2 0.708 4.675 3.960 0.012 0.000 0.299 96 G HA3 0.708 4.675 3.960 0.012 0.000 0.299 96 G C -1.669 173.040 174.900 -0.318 0.000 1.298 96 G CA -0.918 43.984 45.100 -0.329 0.000 0.952 96 G HN 0.468 nan 8.290 nan 0.000 0.477 97 Q N -0.807 118.806 119.800 -0.312 0.000 2.331 97 Q HA 0.612 4.959 4.340 0.012 0.000 0.272 97 Q C -1.035 174.857 176.000 -0.180 0.000 1.062 97 Q CA -0.705 54.947 55.803 -0.251 0.000 0.806 97 Q CB 3.310 31.845 28.738 -0.337 0.000 1.312 97 Q HN 0.410 nan 8.270 nan 0.000 0.431 98 V N 1.305 121.159 119.914 -0.100 0.000 2.483 98 V HA 0.746 4.873 4.120 0.012 0.000 0.297 98 V C 0.263 176.419 176.094 0.104 0.000 1.027 98 V CA -0.827 61.385 62.300 -0.147 0.000 0.855 98 V CB 1.748 33.318 31.823 -0.421 0.000 0.995 98 V HN 0.857 nan 8.190 nan 0.000 0.424 99 G N 1.649 110.541 108.800 0.155 0.000 2.503 99 G HA2 0.305 4.272 3.960 0.012 0.000 0.257 99 G HA3 0.305 4.272 3.960 0.012 0.000 0.257 99 G C 0.419 175.596 174.900 0.463 0.000 1.214 99 G CA -0.183 45.095 45.100 0.297 0.000 0.839 99 G HN 0.670 nan 8.290 nan 0.000 0.559 100 F N 1.603 121.716 119.950 0.271 0.000 2.111 100 F HA -0.237 4.297 4.527 0.012 0.000 0.300 100 F C 2.154 178.084 175.800 0.216 0.000 1.088 100 F CA 2.159 60.288 58.000 0.215 0.000 1.243 100 F CB 0.089 39.126 39.000 0.062 0.000 0.996 100 F HN 0.377 nan 8.300 nan 0.000 0.483 101 N N -0.044 118.661 118.700 0.010 0.000 2.550 101 N HA -0.159 4.588 4.740 0.012 0.000 0.186 101 N C 1.736 177.027 175.510 -0.366 0.000 1.110 101 N CA 0.787 53.611 53.050 -0.378 0.000 0.912 101 N CB -0.814 37.421 38.487 -0.420 0.000 0.968 101 N HN 0.463 nan 8.380 nan 0.000 0.448 102 F N 1.980 121.829 119.950 -0.169 0.000 2.120 102 F HA -0.262 4.272 4.527 0.012 0.000 0.300 102 F C 2.092 177.848 175.800 -0.074 0.000 1.095 102 F CA 1.456 59.379 58.000 -0.128 0.000 1.249 102 F CB -0.221 38.654 39.000 -0.208 0.000 0.995 102 F HN 0.059 nan 8.300 nan 0.000 0.480 103 A N 0.797 123.689 122.820 0.120 0.000 1.851 103 A HA -0.136 4.191 4.320 0.012 0.000 0.216 103 A C 2.497 179.925 177.584 -0.259 0.000 1.195 103 A CA 2.338 54.356 52.037 -0.030 0.000 0.622 103 A CB -1.755 17.181 19.000 -0.106 0.000 0.831 103 A HN 0.582 nan 8.150 nan 0.000 0.444 104 A N -1.339 121.252 122.820 -0.382 0.000 1.892 104 A HA -0.304 4.023 4.320 0.012 0.000 0.218 104 A C 2.183 179.640 177.584 -0.212 0.000 1.188 104 A CA 2.091 53.947 52.037 -0.301 0.000 0.631 104 A CB -1.121 17.666 19.000 -0.356 0.000 0.822 104 A HN 0.786 nan 8.150 nan 0.000 0.447 105 H N -0.141 118.674 119.070 -0.424 0.000 2.321 105 H HA -0.088 4.475 4.556 0.012 0.000 0.300 105 H C 2.304 177.489 175.328 -0.239 0.000 1.087 105 H CA 1.834 57.762 56.048 -0.199 0.000 1.319 105 H CB -0.223 29.411 29.762 -0.214 0.000 1.379 105 H HN 0.423 nan 8.280 nan 0.000 0.501 106 A N 0.890 123.490 122.820 -0.367 0.000 2.019 106 A HA -0.126 4.202 4.320 0.012 0.000 0.219 106 A C 2.397 179.843 177.584 -0.231 0.000 1.164 106 A CA 1.349 53.164 52.037 -0.369 0.000 0.644 106 A CB -0.277 18.406 19.000 -0.528 0.000 0.805 106 A HN 0.424 nan 8.150 nan 0.000 0.449 107 R N -1.834 118.550 120.500 -0.193 0.000 2.397 107 R HA 0.273 4.620 4.340 0.012 0.000 0.241 107 R C 0.989 177.230 176.300 -0.098 0.000 0.914 107 R CA 0.480 56.507 56.100 -0.122 0.000 1.071 107 R CB 0.252 30.490 30.300 -0.103 0.000 1.116 107 R HN 0.591 nan 8.270 nan 0.000 0.524 108 G N 1.933 110.662 108.800 -0.118 0.000 2.246 108 G HA2 -0.270 3.698 3.960 0.012 0.000 0.273 108 G HA3 -0.270 3.698 3.960 0.012 0.000 0.273 108 G C -0.008 174.880 174.900 -0.020 0.000 1.055 108 G CA -0.004 45.049 45.100 -0.078 0.000 0.851 108 G HN 0.244 nan 8.290 nan 0.000 0.500 109 I N 0.878 121.453 120.570 0.008 0.000 2.336 109 I HA 0.556 4.734 4.170 0.012 0.000 0.292 109 I C 1.039 177.251 176.117 0.159 0.000 0.991 109 I CA -0.624 60.705 61.300 0.047 0.000 1.227 109 I CB 1.621 39.629 38.000 0.013 0.000 1.366 109 I HN 0.314 nan 8.210 nan 0.000 0.466 110 A N 7.097 129.988 122.820 0.119 0.000 2.498 110 A HA 0.512 4.840 4.320 0.012 0.000 0.239 110 A C -0.585 177.137 177.584 0.229 0.000 1.068 110 A CA 0.363 52.470 52.037 0.117 0.000 0.766 110 A CB -0.041 18.978 19.000 0.031 0.000 1.003 110 A HN 0.645 nan 8.150 nan 0.000 0.497 111 F N -0.231 119.734 119.950 0.026 0.000 2.654 111 F HA 0.520 5.054 4.527 0.013 0.000 0.308 111 F C -0.885 174.947 175.800 0.055 0.000 1.108 111 F CA -1.638 56.389 58.000 0.045 0.000 0.957 111 F CB 1.078 40.108 39.000 0.049 0.000 1.309 111 F HN 0.370 nan 8.300 nan 0.000 0.446 112 N N 2.242 121.015 118.700 0.121 0.000 2.406 112 N HA 0.450 5.197 4.740 0.012 0.000 0.251 112 N C -0.084 175.536 175.510 0.183 0.000 1.069 112 N CA -0.079 52.996 53.050 0.043 0.000 0.947 112 N CB 1.687 40.214 38.487 0.067 0.000 1.111 112 N HN 1.008 nan 8.380 nan 0.000 0.497 113 A N 1.839 124.705 122.820 0.076 0.000 2.561 113 A HA 0.426 4.753 4.320 0.012 0.000 0.234 113 A C 1.082 178.795 177.584 0.215 0.000 1.055 113 A CA 0.324 52.509 52.037 0.246 0.000 0.756 113 A CB 0.008 19.093 19.000 0.142 0.000 0.986 113 A HN 0.631 nan 8.150 nan 0.000 0.505 114 G N -0.408 108.545 108.800 0.256 0.000 2.641 114 G HA2 0.462 4.429 3.960 0.012 0.000 0.239 114 G HA3 0.462 4.429 3.960 0.012 0.000 0.239 114 G C 0.368 175.408 174.900 0.233 0.000 1.402 114 G CA -0.107 45.115 45.100 0.202 0.000 1.046 114 G HN 0.621 nan 8.290 nan 0.000 0.565 115 E N -1.184 119.196 120.200 0.301 0.000 2.307 115 E HA 0.070 4.427 4.350 0.012 0.000 0.195 115 E C -0.004 176.856 176.600 0.435 0.000 0.975 115 E CA 0.002 56.608 56.400 0.343 0.000 0.878 115 E CB 0.214 30.135 29.700 0.367 0.000 0.845 115 E HN 0.379 nan 8.360 nan 0.000 0.488 116 W N 2.943 124.343 121.300 0.166 0.000 2.237 116 W HA 0.255 4.922 4.660 0.012 0.000 0.335 116 W C -1.841 174.752 176.519 0.124 0.000 1.230 116 W CA -2.469 54.982 57.345 0.176 0.000 1.253 116 W CB -0.549 29.041 29.460 0.215 0.000 1.129 116 W HN -0.160 nan 8.180 nan 0.000 0.590 117 P HA 0.003 nan 4.420 nan 0.000 0.269 117 P C 0.854 178.198 177.300 0.073 0.000 1.209 117 P CA 0.157 63.269 63.100 0.019 0.000 0.776 117 P CB 0.745 32.303 31.700 -0.237 0.000 0.876 118 L N 0.916 122.142 121.223 0.005 0.000 2.093 118 L HA 0.025 4.372 4.340 0.012 0.000 0.208 118 L C 1.256 178.131 176.870 0.009 0.000 1.085 118 L CA 1.359 56.229 54.840 0.049 0.000 0.755 118 L CB -0.262 41.807 42.059 0.017 0.000 0.904 118 L HN 0.351 nan 8.230 nan 0.000 0.435 119 L N -0.819 120.343 121.223 -0.102 0.000 2.549 119 L HA 0.393 4.740 4.340 0.012 0.000 0.259 119 L C -0.921 175.801 176.870 -0.247 0.000 0.934 119 L CA -0.297 54.440 54.840 -0.172 0.000 0.865 119 L CB 2.347 44.307 42.059 -0.165 0.000 1.352 119 L HN -0.051 nan 8.230 nan 0.000 0.410 120 T N 2.130 116.530 114.554 -0.255 0.000 2.909 120 T HA 0.749 5.106 4.350 0.012 0.000 0.299 120 T C -1.092 173.400 174.700 -0.347 0.000 1.073 120 T CA -0.733 61.194 62.100 -0.287 0.000 0.999 120 T CB 1.602 70.351 68.868 -0.198 0.000 1.098 120 T HN 0.545 nan 8.240 nan 0.000 0.477 121 L N 1.847 122.784 121.223 -0.476 0.000 2.385 121 L HA 0.702 5.049 4.340 0.012 0.000 0.273 121 L C -0.441 176.105 176.870 -0.539 0.000 0.990 121 L CA -0.796 53.722 54.840 -0.537 0.000 0.821 121 L CB 2.623 44.253 42.059 -0.715 0.000 1.279 121 L HN 0.813 nan 8.230 nan 0.000 0.412 122 T N 1.833 116.208 114.554 -0.299 0.000 2.881 122 T HA 0.438 4.795 4.350 0.012 0.000 0.290 122 T C -0.479 174.211 174.700 -0.016 0.000 1.000 122 T CA -0.429 61.566 62.100 -0.176 0.000 0.978 122 T CB 2.337 70.987 68.868 -0.363 0.000 0.997 122 T HN 0.143 nan 8.240 nan 0.000 0.443 123 V N 6.833 126.825 119.914 0.130 0.000 2.383 123 V HA 0.376 4.503 4.120 0.012 0.000 0.275 123 V C -1.863 174.260 176.094 0.048 0.000 1.036 123 V CA -1.847 60.510 62.300 0.094 0.000 0.889 123 V CB 1.073 32.940 31.823 0.074 0.000 0.985 123 V HN 0.679 nan 8.190 nan 0.000 0.459 124 P HA 0.322 nan 4.420 nan 0.000 0.276 124 P C 0.299 177.629 177.300 0.051 0.000 1.252 124 P CA -0.486 62.652 63.100 0.062 0.000 0.802 124 P CB 1.340 33.080 31.700 0.066 0.000 1.035 125 R N 0.070 120.589 120.500 0.032 0.000 2.093 125 R HA 0.078 4.425 4.340 0.012 0.000 0.224 125 R C 0.598 176.921 176.300 0.037 0.000 1.101 125 R CA 1.107 57.219 56.100 0.020 0.000 0.979 125 R CB 0.224 30.521 30.300 -0.004 0.000 0.877 125 R HN 0.626 nan 8.270 nan 0.000 0.441 126 E N -0.001 120.220 120.200 0.035 0.000 2.343 126 E HA 0.339 4.696 4.350 0.012 0.000 0.270 126 E C -1.053 175.623 176.600 0.126 0.000 0.895 126 E CA -0.489 55.953 56.400 0.070 0.000 0.767 126 E CB 2.650 32.356 29.700 0.010 0.000 1.248 126 E HN -0.010 nan 8.360 nan 0.000 0.440 127 E N 1.210 121.543 120.200 0.221 0.000 2.383 127 E HA 0.474 4.831 4.350 0.012 0.000 0.275 127 E C -1.557 175.237 176.600 0.324 0.000 0.918 127 E CA -0.771 55.814 56.400 0.308 0.000 0.764 127 E CB 2.126 32.043 29.700 0.362 0.000 1.252 127 E HN 0.148 nan 8.360 nan 0.000 0.449 128 L N 2.446 123.871 121.223 0.335 0.000 2.410 128 L HA 0.490 4.837 4.340 0.012 0.000 0.270 128 L C -1.175 175.817 176.870 0.203 0.000 0.983 128 L CA -0.346 54.602 54.840 0.181 0.000 0.822 128 L CB 1.586 43.746 42.059 0.170 0.000 1.285 128 L HN 0.421 nan 8.230 nan 0.000 0.409 129 I N 3.201 123.788 120.570 0.029 0.000 2.410 129 I HA 0.417 4.595 4.170 0.012 0.000 0.286 129 I C -0.803 175.229 176.117 -0.141 0.000 1.009 129 I CA -0.052 61.279 61.300 0.052 0.000 1.111 129 I CB 0.956 39.023 38.000 0.112 0.000 1.262 129 I HN 0.209 nan 8.210 nan 0.000 0.443 130 F N 4.439 124.376 119.950 -0.022 0.000 2.408 130 F HA 0.568 5.102 4.527 0.012 0.000 0.344 130 F C 0.480 176.211 175.800 -0.114 0.000 1.112 130 F CA -0.483 57.465 58.000 -0.086 0.000 1.096 130 F CB 1.212 40.164 39.000 -0.079 0.000 1.129 130 F HN 0.425 nan 8.300 nan 0.000 0.486 131 E N 1.902 122.074 120.200 -0.046 0.000 2.334 131 E HA 0.417 4.775 4.350 0.012 0.000 0.280 131 E C -0.398 176.037 176.600 -0.276 0.000 0.899 131 E CA -0.359 55.981 56.400 -0.100 0.000 0.813 131 E CB 1.232 30.907 29.700 -0.042 0.000 1.318 131 E HN 0.646 nan 8.360 nan 0.000 0.399 132 K N 2.216 122.315 120.400 -0.501 0.000 3.077 132 K HA -0.209 4.118 4.320 0.012 0.000 0.264 132 K C 0.794 176.770 176.600 -1.041 0.000 1.008 132 K CA 1.767 57.565 56.287 -0.814 0.000 0.740 132 K CB -2.856 29.521 32.500 -0.204 0.000 1.273 132 K HN 1.773 nan 8.250 nan 0.000 0.477 133 G N -1.757 106.158 108.800 -1.475 0.000 2.184 133 G HA2 -0.255 3.712 3.960 0.012 0.000 0.264 133 G HA3 -0.255 3.712 3.960 0.012 0.000 0.264 133 G C 0.017 174.568 174.900 -0.581 0.000 0.975 133 G CA 0.381 44.893 45.100 -0.980 0.000 0.642 133 G HN 1.194 nan 8.290 nan 0.000 0.536 134 N N -0.675 117.741 118.700 -0.474 0.000 2.472 134 N HA 0.680 5.427 4.740 0.012 0.000 0.289 134 N C -0.633 174.647 175.510 -0.383 0.000 1.156 134 N CA -0.201 52.599 53.050 -0.416 0.000 0.940 134 N CB 2.335 40.725 38.487 -0.161 0.000 1.200 134 N HN 0.350 nan 8.380 nan 0.000 0.511 135 V N 0.436 120.048 119.914 -0.504 0.000 2.760 135 V HA 0.488 4.615 4.120 0.012 0.000 0.309 135 V C -0.936 174.938 176.094 -0.366 0.000 1.077 135 V CA -0.359 61.615 62.300 -0.543 0.000 0.910 135 V CB 2.030 33.349 31.823 -0.842 0.000 1.008 135 V HN 0.695 nan 8.190 nan 0.000 0.424 136 T N 5.809 120.230 114.554 -0.221 0.000 2.779 136 T HA 0.628 4.985 4.350 0.012 0.000 0.280 136 T C -0.631 173.924 174.700 -0.241 0.000 0.987 136 T CA -0.321 61.684 62.100 -0.158 0.000 0.966 136 T CB 1.445 70.281 68.868 -0.055 0.000 0.933 136 T HN 0.514 nan 8.240 nan 0.000 0.442 137 V N 4.111 123.850 119.914 -0.293 0.000 2.459 137 V HA 0.467 4.594 4.120 0.012 0.000 0.295 137 V C -1.203 174.714 176.094 -0.295 0.000 1.029 137 V CA -0.906 61.282 62.300 -0.186 0.000 0.874 137 V CB 0.995 32.751 31.823 -0.111 0.000 0.985 137 V HN 0.805 nan 8.190 nan 0.000 0.438 138 Y N 2.798 123.129 120.300 0.051 0.000 2.341 138 Y HA 0.797 5.354 4.550 0.012 0.000 0.338 138 Y C 0.356 176.282 175.900 0.044 0.000 0.965 138 Y CA -0.346 57.786 58.100 0.054 0.000 1.108 138 Y CB 2.045 40.548 38.460 0.072 0.000 1.180 138 Y HN 0.792 nan 8.280 nan 0.000 0.458 139 A N 2.180 125.097 122.820 0.163 0.000 2.569 139 A HA 0.625 4.953 4.320 0.012 0.000 0.290 139 A C -0.989 176.643 177.584 0.079 0.000 1.136 139 A CA -0.911 51.182 52.037 0.094 0.000 0.710 139 A CB 1.268 20.300 19.000 0.053 0.000 1.303 139 A HN 0.609 nan 8.150 nan 0.000 0.413 164 L N 2.036 123.210 121.223 -0.082 0.000 2.439 164 L HA 0.611 4.958 4.340 0.012 0.000 0.269 164 L C 0.626 177.457 176.870 -0.065 0.000 1.179 164 L CA 0.167 54.971 54.840 -0.061 0.000 0.828 164 L CB 0.743 42.773 42.059 -0.048 0.000 1.106 164 L HN 0.682 nan 8.230 nan 0.000 0.467 165 A N 4.418 127.208 122.820 -0.050 0.000 2.271 165 A HA 0.696 5.023 4.320 0.012 0.000 0.317 165 A C -1.019 176.542 177.584 -0.038 0.000 1.245 165 A CA -0.467 51.540 52.037 -0.050 0.000 0.857 165 A CB 0.846 19.822 19.000 -0.041 0.000 1.175 165 A HN 0.435 nan 8.150 nan 0.000 0.512 166 V N 2.779 122.668 119.914 -0.041 0.000 2.577 166 V HA 0.287 4.414 4.120 0.012 0.000 0.303 166 V C -0.999 175.079 176.094 -0.027 0.000 1.042 166 V CA -0.591 61.693 62.300 -0.026 0.000 0.872 166 V CB 2.068 33.878 31.823 -0.022 0.000 0.998 166 V HN 0.987 nan 8.190 nan 0.000 0.423 167 D N 2.838 123.227 120.400 -0.017 0.000 2.380 167 D HA 0.238 4.885 4.640 0.012 0.000 0.230 167 D C 1.227 177.518 176.300 -0.016 0.000 1.154 167 D CA 0.115 54.105 54.000 -0.017 0.000 0.859 167 D CB 1.671 42.464 40.800 -0.012 0.000 1.045 167 D HN 0.672 nan 8.370 nan 0.000 0.495 168 T N 0.715 115.256 114.554 -0.021 0.000 3.148 168 T HA 0.186 4.543 4.350 0.012 0.000 0.253 168 T C 1.534 176.219 174.700 -0.026 0.000 1.134 168 T CA 0.371 62.456 62.100 -0.026 0.000 1.051 168 T CB 0.213 69.064 68.868 -0.029 0.000 0.959 168 T HN 0.274 nan 8.240 nan 0.000 0.525 169 A N 1.095 123.906 122.820 -0.015 0.000 1.975 169 A HA 0.601 4.928 4.320 0.012 0.000 0.215 169 A C 1.575 179.159 177.584 -0.001 0.000 1.170 169 A CA 0.551 52.584 52.037 -0.006 0.000 0.656 169 A CB -1.015 17.984 19.000 -0.001 0.000 0.821 169 A HN 0.880 nan 8.150 nan 0.000 0.449 170 L N -0.514 120.707 121.223 -0.002 0.000 2.543 170 L HA 0.293 4.640 4.340 0.012 0.000 0.285 170 L C 0.880 177.754 176.870 0.006 0.000 1.236 170 L CA 0.724 55.566 54.840 0.003 0.000 0.871 170 L CB -1.397 40.663 42.059 0.002 0.000 1.121 170 L HN 0.630 nan 8.230 nan 0.000 0.501 171 N N 0.938 119.647 118.700 0.015 0.000 2.678 171 N HA -0.196 4.552 4.740 0.012 0.000 0.250 171 N C 1.216 176.755 175.510 0.049 0.000 1.136 171 N CA 1.675 54.741 53.050 0.027 0.000 0.757 171 N CB -1.648 36.851 38.487 0.020 0.000 1.135 171 N HN 1.282 nan 8.380 nan 0.000 0.565 172 G N -0.473 108.354 108.800 0.046 0.000 2.509 172 G HA2 -0.222 3.746 3.960 0.012 0.000 0.218 172 G HA3 -0.222 3.746 3.960 0.012 0.000 0.218 172 G C 1.365 176.333 174.900 0.114 0.000 1.124 172 G CA 1.054 46.200 45.100 0.076 0.000 0.776 172 G HN 0.419 nan 8.290 nan 0.000 0.547 173 E N 1.049 121.295 120.200 0.077 0.000 2.076 173 E HA 0.142 4.499 4.350 0.012 0.000 0.190 173 E C 2.665 179.305 176.600 0.066 0.000 0.979 173 E CA 1.150 57.588 56.400 0.063 0.000 0.807 173 E CB -0.463 29.261 29.700 0.039 0.000 0.761 173 E HN 0.217 nan 8.360 nan 0.000 0.454 174 A N -0.475 122.388 122.820 0.071 0.000 2.015 174 A HA -0.147 4.180 4.320 0.012 0.000 0.219 174 A C 2.129 179.760 177.584 0.079 0.000 1.163 174 A CA 1.366 53.439 52.037 0.059 0.000 0.646 174 A CB -0.839 18.192 19.000 0.051 0.000 0.806 174 A HN 0.485 nan 8.150 nan 0.000 0.448 175 Y N 0.758 121.059 120.300 0.002 0.000 2.163 175 Y HA -0.127 4.430 4.550 0.012 0.000 0.288 175 Y C 2.175 178.082 175.900 0.012 0.000 1.136 175 Y CA 2.062 60.164 58.100 0.004 0.000 1.147 175 Y CB -0.193 38.270 38.460 0.004 0.000 0.987 175 Y HN 0.230 nan 8.280 nan 0.000 0.509 176 K N -0.378 120.035 120.400 0.023 0.000 2.103 176 K HA -0.282 4.045 4.320 0.012 0.000 0.207 176 K C 2.433 178.973 176.600 -0.099 0.000 1.048 176 K CA 1.654 57.910 56.287 -0.051 0.000 0.930 176 K CB -0.339 32.184 32.500 0.038 0.000 0.716 176 K HN 0.552 nan 8.250 nan 0.000 0.444 177 Q N 1.397 121.159 119.800 -0.064 0.000 2.079 177 Q HA -0.210 4.138 4.340 0.012 0.000 0.200 177 Q C 1.878 177.823 176.000 -0.091 0.000 0.974 177 Q CA 1.698 57.467 55.803 -0.056 0.000 0.840 177 Q CB -0.677 28.047 28.738 -0.024 0.000 0.898 177 Q HN 0.517 nan 8.270 nan 0.000 0.430 178 Q N -0.385 119.329 119.800 -0.145 0.000 2.079 178 Q HA -0.069 4.278 4.340 0.012 0.000 0.200 178 Q C 2.309 178.187 176.000 -0.204 0.000 0.974 178 Q CA 1.518 57.225 55.803 -0.161 0.000 0.840 178 Q CB -0.122 28.509 28.738 -0.178 0.000 0.898 178 Q HN 0.551 nan 8.270 nan 0.000 0.430 179 V N 0.964 120.671 119.914 -0.344 0.000 2.407 179 V HA -0.282 3.845 4.120 0.012 0.000 0.248 179 V C 2.242 178.267 176.094 -0.114 0.000 1.055 179 V CA 1.714 63.859 62.300 -0.257 0.000 1.049 179 V CB -1.026 30.606 31.823 -0.318 0.000 0.662 179 V HN 0.388 nan 8.190 nan 0.000 0.455 180 A N 0.423 123.185 122.820 -0.096 0.000 1.865 180 A HA -0.283 4.044 4.320 0.012 0.000 0.217 180 A C 2.418 179.980 177.584 -0.036 0.000 1.191 180 A CA 2.205 54.211 52.037 -0.051 0.000 0.623 180 A CB -0.636 18.340 19.000 -0.040 0.000 0.826 180 A HN 0.496 nan 8.150 nan 0.000 0.444 181 R N -0.314 120.166 120.500 -0.035 0.000 2.096 181 R HA -0.176 4.171 4.340 0.012 0.000 0.240 181 R C 2.266 178.571 176.300 0.008 0.000 1.139 181 R CA 1.790 57.883 56.100 -0.012 0.000 0.952 181 R CB -0.482 29.814 30.300 -0.006 0.000 0.854 181 R HN 0.445 nan 8.270 nan 0.000 0.436 182 A N 0.287 123.120 122.820 0.022 0.000 1.858 182 A HA -0.109 4.218 4.320 0.012 0.000 0.216 182 A C 2.327 179.926 177.584 0.026 0.000 1.190 182 A CA 1.677 53.769 52.037 0.092 0.000 0.617 182 A CB -0.716 18.343 19.000 0.100 0.000 0.827 182 A HN 0.239 nan 8.150 nan 0.000 0.443 183 V N -0.029 119.884 119.914 -0.003 0.000 2.287 183 V HA -0.300 3.827 4.120 0.012 0.000 0.248 183 V C 3.073 179.137 176.094 -0.050 0.000 1.053 183 V CA 2.137 64.424 62.300 -0.021 0.000 1.027 183 V CB -1.265 30.549 31.823 -0.016 0.000 0.646 183 V HN 0.637 nan 8.190 nan 0.000 0.447 184 A N -0.572 122.221 122.820 -0.045 0.000 1.902 184 A HA -0.252 4.075 4.320 0.012 0.000 0.217 184 A C 2.165 179.693 177.584 -0.092 0.000 1.181 184 A CA 1.933 53.938 52.037 -0.054 0.000 0.623 184 A CB -0.469 18.509 19.000 -0.036 0.000 0.818 184 A HN 0.648 nan 8.150 nan 0.000 0.443 185 E N -0.532 119.598 120.200 -0.117 0.000 2.150 185 E HA -0.103 4.254 4.350 0.012 0.000 0.193 185 E C 1.824 178.168 176.600 -0.426 0.000 0.985 185 E CA 0.991 57.256 56.400 -0.224 0.000 0.814 185 E CB -0.239 29.356 29.700 -0.176 0.000 0.752 185 E HN 0.710 nan 8.360 nan 0.000 0.466 186 I N 0.793 121.118 120.570 -0.407 0.000 2.252 186 I HA -0.242 3.935 4.170 0.012 0.000 0.245 186 I C 2.414 178.415 176.117 -0.194 0.000 1.102 186 I CA 1.029 62.114 61.300 -0.360 0.000 1.385 186 I CB -0.125 37.766 38.000 -0.182 0.000 1.064 186 I HN -0.019 nan 8.210 nan 0.000 0.414 187 R N 0.504 120.925 120.500 -0.131 0.000 2.120 187 R HA -0.091 4.256 4.340 0.012 0.000 0.234 187 R C 2.102 178.351 176.300 -0.085 0.000 1.123 187 R CA 0.988 57.037 56.100 -0.085 0.000 0.975 187 R CB -0.221 30.044 30.300 -0.058 0.000 0.866 187 R HN 0.366 nan 8.270 nan 0.000 0.446 188 R N -0.433 120.001 120.500 -0.109 0.000 2.323 188 R HA 0.054 4.402 4.340 0.012 0.000 0.198 188 R C 0.918 177.160 176.300 -0.096 0.000 0.988 188 R CA 0.654 56.700 56.100 -0.090 0.000 1.041 188 R CB 0.427 30.679 30.300 -0.081 0.000 0.926 188 R HN 0.402 nan 8.270 nan 0.000 0.476 189 G N 1.251 109.973 108.800 -0.130 0.000 2.141 189 G HA2 -0.269 3.698 3.960 0.012 0.000 0.231 189 G HA3 -0.269 3.698 3.960 0.012 0.000 0.231 189 G C 0.560 175.391 174.900 -0.115 0.000 0.984 189 G CA 0.222 45.259 45.100 -0.104 0.000 0.660 189 G HN 0.409 nan 8.290 nan 0.000 0.525 190 E N -1.320 118.749 120.200 -0.218 0.000 2.152 190 E HA 0.160 4.517 4.350 0.012 0.000 0.192 190 E C 0.888 177.488 176.600 -0.002 0.000 0.983 190 E CA 1.527 57.842 56.400 -0.142 0.000 0.818 190 E CB 0.034 29.611 29.700 -0.205 0.000 0.758 190 E HN 0.949 nan 8.360 nan 0.000 0.467 191 Y N -5.633 114.669 120.300 0.004 0.000 2.818 191 Y HA 0.275 4.832 4.550 0.011 0.000 0.341 191 Y C 0.356 176.258 175.900 0.004 0.000 1.283 191 Y CA -0.947 57.156 58.100 0.004 0.000 1.075 191 Y CB 0.516 38.981 38.460 0.008 0.000 1.370 191 Y HN -0.361 nan 8.280 nan 0.000 0.448 192 V N -0.022 120.024 119.914 0.220 0.000 2.788 192 V HA 0.257 4.384 4.120 0.012 0.000 0.241 192 V C 0.134 176.326 176.094 0.162 0.000 1.083 192 V CA 1.236 63.606 62.300 0.118 0.000 1.103 192 V CB 0.343 32.210 31.823 0.073 0.000 0.800 192 V HN 0.677 nan 8.190 nan 0.000 0.476 193 K N -0.126 120.405 120.400 0.217 0.000 2.498 193 K HA 0.645 4.972 4.320 0.012 0.000 0.254 193 K C -2.167 174.517 176.600 0.140 0.000 0.933 193 K CA -0.361 56.024 56.287 0.165 0.000 0.806 193 K CB 2.986 35.536 32.500 0.082 0.000 1.301 193 K HN -0.078 nan 8.250 nan 0.000 0.432 194 V N 4.855 124.840 119.914 0.118 0.000 2.888 194 V HA 0.492 4.619 4.120 0.012 0.000 0.309 194 V C -1.511 174.607 176.094 0.040 0.000 1.114 194 V CA -0.913 61.388 62.300 0.001 0.000 0.940 194 V CB 1.890 33.632 31.823 -0.135 0.000 1.021 194 V HN 0.718 nan 8.190 nan 0.000 0.426 195 I N 6.429 127.016 120.570 0.027 0.000 2.312 195 I HA 0.394 4.571 4.170 0.012 0.000 0.291 195 I C 0.007 176.173 176.117 0.082 0.000 1.031 195 I CA 0.128 61.470 61.300 0.070 0.000 1.293 195 I CB 1.449 39.491 38.000 0.069 0.000 1.403 195 I HN 0.337 nan 8.210 nan 0.000 0.484 196 V N 6.231 126.217 119.914 0.120 0.000 2.394 196 V HA 0.661 4.788 4.120 0.012 0.000 0.282 196 V C 0.245 176.523 176.094 0.307 0.000 1.031 196 V CA -0.453 61.931 62.300 0.140 0.000 0.881 196 V CB 1.283 33.119 31.823 0.022 0.000 0.982 196 V HN 0.842 nan 8.190 nan 0.000 0.451 197 S N 5.187 121.027 115.700 0.233 0.000 2.634 197 S HA 0.879 5.357 4.470 0.012 0.000 0.296 197 S C -0.730 173.912 174.600 0.071 0.000 1.104 197 S CA -1.136 57.140 58.200 0.126 0.000 0.920 197 S CB 2.410 65.574 63.200 -0.060 0.000 1.111 197 S HN 0.864 nan 8.310 nan 0.000 0.493 198 R N 0.114 120.540 120.500 -0.124 0.000 2.628 198 R HA 0.785 5.132 4.340 0.012 0.000 0.288 198 R C -0.953 175.261 176.300 -0.143 0.000 0.980 198 R CA -0.997 55.030 56.100 -0.121 0.000 0.891 198 R CB 1.645 31.814 30.300 -0.219 0.000 1.188 198 R HN 0.746 nan 8.270 nan 0.000 0.450 199 A N 4.542 127.307 122.820 -0.092 0.000 2.328 199 A HA 0.447 4.774 4.320 0.012 0.000 0.284 199 A C -0.031 177.569 177.584 0.027 0.000 1.160 199 A CA -0.825 51.210 52.037 -0.002 0.000 0.818 199 A CB 0.401 19.312 19.000 -0.147 0.000 1.087 199 A HN 0.632 nan 8.150 nan 0.000 0.504 200 I N 4.057 124.693 120.570 0.110 0.000 2.307 200 I HA 0.256 4.434 4.170 0.012 0.000 0.287 200 I C -2.456 173.752 176.117 0.152 0.000 1.054 200 I CA -2.661 58.690 61.300 0.084 0.000 1.218 200 I CB 0.428 38.457 38.000 0.049 0.000 1.398 200 I HN 0.300 nan 8.210 nan 0.000 0.475 201 P HA 0.116 nan 4.420 nan 0.000 0.264 201 P C -0.260 177.108 177.300 0.114 0.000 1.183 201 P CA 0.284 63.462 63.100 0.129 0.000 0.763 201 P CB 0.667 32.401 31.700 0.058 0.000 0.807 202 L N 5.811 127.115 121.223 0.135 0.000 2.352 202 L HA 0.391 4.738 4.340 0.012 0.000 0.269 202 L C -0.879 176.031 176.870 0.066 0.000 1.034 202 L CA -1.899 52.993 54.840 0.087 0.000 0.806 202 L CB 1.434 43.544 42.059 0.086 0.000 1.244 202 L HN 0.316 nan 8.230 nan 0.000 0.447 203 P HA -0.034 nan 4.420 nan 0.000 0.218 203 P C 0.143 177.461 177.300 0.030 0.000 1.152 203 P CA 0.709 63.826 63.100 0.029 0.000 0.826 203 P CB 0.354 32.061 31.700 0.013 0.000 0.790 204 S N -1.863 113.854 115.700 0.028 0.000 2.685 204 S HA 0.527 5.004 4.470 0.012 0.000 0.282 204 S C -0.203 174.417 174.600 0.034 0.000 1.159 204 S CA -1.099 57.117 58.200 0.028 0.000 0.833 204 S CB 1.880 65.086 63.200 0.010 0.000 1.151 204 S HN -0.144 nan 8.310 nan 0.000 0.485 205 R N 0.373 120.893 120.500 0.033 0.000 2.756 205 R HA 0.379 4.726 4.340 0.012 0.000 0.264 205 R C 0.169 176.469 176.300 -0.001 0.000 1.026 205 R CA 0.121 56.236 56.100 0.024 0.000 1.121 205 R CB -0.160 30.154 30.300 0.022 0.000 0.999 205 R HN 0.739 nan 8.270 nan 0.000 0.449 206 I N -2.289 118.272 120.570 -0.015 0.000 2.863 206 I HA 0.302 4.479 4.170 0.012 0.000 0.311 206 I C -0.230 175.863 176.117 -0.040 0.000 1.026 206 I CA -0.782 60.498 61.300 -0.033 0.000 1.077 206 I CB 1.842 39.815 38.000 -0.045 0.000 1.262 206 I HN 0.411 nan 8.210 nan 0.000 0.461 207 D N 5.146 125.518 120.400 -0.046 0.000 2.365 207 D HA 0.124 4.771 4.640 0.012 0.000 0.237 207 D C 0.889 177.160 176.300 -0.049 0.000 1.190 207 D CA -0.388 53.584 54.000 -0.046 0.000 0.867 207 D CB 1.086 41.856 40.800 -0.050 0.000 1.050 207 D HN 0.577 nan 8.370 nan 0.000 0.491 208 M N 4.435 124.002 119.600 -0.055 0.000 2.067 208 M HA -0.074 4.413 4.480 0.012 0.000 0.260 208 M C -0.842 175.428 176.300 -0.050 0.000 1.069 208 M CA 1.367 56.628 55.300 -0.065 0.000 1.117 208 M CB -2.230 30.321 32.600 -0.081 0.000 1.334 208 M HN 0.327 nan 8.290 nan 0.000 0.407 209 P HA -0.110 nan 4.420 nan 0.000 0.215 209 P C 1.351 178.641 177.300 -0.017 0.000 1.157 209 P CA 2.172 65.236 63.100 -0.060 0.000 0.874 209 P CB -0.236 31.417 31.700 -0.077 0.000 0.790 210 A N -1.084 121.736 122.820 -0.000 0.000 1.898 210 A HA -0.149 4.178 4.320 0.012 0.000 0.216 210 A C 2.243 179.892 177.584 0.108 0.000 1.181 210 A CA 2.310 54.379 52.037 0.052 0.000 0.620 210 A CB -1.869 17.106 19.000 -0.042 0.000 0.819 210 A HN 0.157 nan 8.150 nan 0.000 0.442 211 T N 0.284 114.868 114.554 0.050 0.000 2.720 211 T HA -0.164 4.194 4.350 0.012 0.000 0.268 211 T C 1.827 176.646 174.700 0.199 0.000 1.037 211 T CA 1.569 63.733 62.100 0.106 0.000 1.144 211 T CB -0.401 68.490 68.868 0.039 0.000 0.864 211 T HN 0.307 nan 8.240 nan 0.000 0.444 212 L N 0.880 122.181 121.223 0.131 0.000 2.042 212 L HA 0.001 4.349 4.340 0.012 0.000 0.210 212 L C 2.155 179.130 176.870 0.174 0.000 1.076 212 L CA 1.472 56.423 54.840 0.185 0.000 0.749 212 L CB -0.783 41.309 42.059 0.054 0.000 0.893 212 L HN 0.177 nan 8.230 nan 0.000 0.432 213 L N -1.535 119.746 121.223 0.097 0.000 1.988 213 L HA -0.210 4.137 4.340 0.012 0.000 0.207 213 L C 2.267 179.123 176.870 -0.023 0.000 1.071 213 L CA 1.908 56.756 54.840 0.013 0.000 0.744 213 L CB -0.971 41.108 42.059 0.034 0.000 0.893 213 L HN 0.283 nan 8.230 nan 0.000 0.433 214 Y N 0.056 120.328 120.300 -0.047 0.000 2.163 214 Y HA -0.010 4.547 4.550 0.012 0.000 0.288 214 Y C 2.537 178.289 175.900 -0.246 0.000 1.136 214 Y CA 1.440 59.500 58.100 -0.067 0.000 1.147 214 Y CB -1.311 37.188 38.460 0.065 0.000 0.987 214 Y HN 0.256 nan 8.280 nan 0.000 0.509 215 G N -0.267 108.545 108.800 0.019 0.000 2.476 215 G HA2 -0.362 3.605 3.960 0.012 0.000 0.218 215 G HA3 -0.362 3.605 3.960 0.012 0.000 0.218 215 G C 1.760 176.070 174.900 -0.984 0.000 1.164 215 G CA 1.395 46.275 45.100 -0.365 0.000 0.768 215 G HN 0.217 nan 8.290 nan 0.000 0.560 216 R N 0.569 120.719 120.500 -0.584 0.000 2.096 216 R HA 0.006 4.353 4.340 0.012 0.000 0.235 216 R C 2.590 178.659 176.300 -0.386 0.000 1.127 216 R CA 1.737 57.545 56.100 -0.486 0.000 0.968 216 R CB -0.640 29.724 30.300 0.107 0.000 0.861 216 R HN 0.483 nan 8.270 nan 0.000 0.440 217 Q N -1.032 118.568 119.800 -0.334 0.000 2.364 217 Q HA 0.048 4.395 4.340 0.012 0.000 0.207 217 Q C 1.180 176.976 176.000 -0.340 0.000 0.970 217 Q CA 1.148 56.779 55.803 -0.286 0.000 0.888 217 Q CB 0.163 28.738 28.738 -0.272 0.000 0.951 217 Q HN 0.426 nan 8.270 nan 0.000 0.469 218 A N 0.247 122.746 122.820 -0.535 0.000 2.345 218 A HA 0.110 4.437 4.320 0.012 0.000 0.225 218 A C 0.218 177.533 177.584 -0.448 0.000 1.243 218 A CA -0.110 51.585 52.037 -0.571 0.000 0.875 218 A CB 0.271 18.549 19.000 -1.202 0.000 0.929 218 A HN 0.136 nan 8.150 nan 0.000 0.502 219 N N -0.607 117.838 118.700 -0.425 0.000 2.455 219 N HA 0.413 5.160 4.740 0.012 0.000 0.278 219 N C -1.203 174.204 175.510 -0.172 0.000 1.291 219 N CA 0.110 52.973 53.050 -0.311 0.000 0.780 219 N CB 2.068 40.257 38.487 -0.497 0.000 1.520 219 N HN 0.096 nan 8.380 nan 0.000 0.486 220 T N -1.541 112.967 114.554 -0.077 0.000 3.410 220 T HA 0.393 4.750 4.350 0.012 0.000 0.328 220 T C -2.789 171.924 174.700 0.022 0.000 1.567 220 T CA -1.338 60.747 62.100 -0.025 0.000 1.626 220 T CB 0.866 69.727 68.868 -0.012 0.000 0.939 220 T HN 0.209 nan 8.240 nan 0.000 0.656 221 P HA 0.315 nan 4.420 nan 0.000 0.281 221 P C 1.522 178.852 177.300 0.049 0.000 1.264 221 P CA -0.716 62.439 63.100 0.090 0.000 0.824 221 P CB 1.511 33.318 31.700 0.178 0.000 1.092 222 V N -1.632 118.314 119.914 0.052 0.000 2.548 222 V HA 0.083 4.210 4.120 0.012 0.000 0.249 222 V C 0.699 176.773 176.094 -0.034 0.000 1.055 222 V CA 1.200 63.513 62.300 0.022 0.000 1.065 222 V CB -0.892 30.955 31.823 0.040 0.000 0.681 222 V HN 0.396 nan 8.190 nan 0.000 0.462 223 R N -0.247 120.225 120.500 -0.046 0.000 2.739 223 R HA 0.703 5.050 4.340 0.012 0.000 0.271 223 R C -1.196 175.034 176.300 -0.117 0.000 1.010 223 R CA -0.226 55.749 56.100 -0.208 0.000 0.897 223 R CB 1.932 32.035 30.300 -0.329 0.000 1.236 223 R HN 0.407 nan 8.270 nan 0.000 0.466 224 S N 1.070 116.618 115.700 -0.253 0.000 2.566 224 S HA 0.848 5.325 4.470 0.012 0.000 0.298 224 S C -0.917 173.658 174.600 -0.042 0.000 1.083 224 S CA -0.752 57.379 58.200 -0.115 0.000 0.978 224 S CB 1.390 64.591 63.200 0.003 0.000 1.073 224 S HN 0.486 nan 8.310 nan 0.000 0.491 225 F N -0.361 119.557 119.950 -0.054 0.000 2.662 225 F HA 0.882 5.416 4.527 0.011 0.000 0.312 225 F C -1.114 174.764 175.800 0.130 0.000 1.113 225 F CA -1.151 56.937 58.000 0.146 0.000 0.951 225 F CB 1.680 40.849 39.000 0.282 0.000 1.344 225 F HN 0.539 nan 8.300 nan 0.000 0.462 226 M N 3.741 123.581 119.600 0.400 0.000 2.414 226 M HA 0.583 5.070 4.480 0.012 0.000 0.287 226 M C -2.402 174.177 176.300 0.465 0.000 1.181 226 M CA -0.494 54.945 55.300 0.231 0.000 0.933 226 M CB 2.304 34.928 32.600 0.039 0.000 1.732 226 M HN 1.043 nan 8.290 nan 0.000 0.486 227 F N 1.799 121.886 119.950 0.229 0.000 2.645 227 F HA 0.861 5.395 4.527 0.012 0.000 0.310 227 F C -1.730 174.067 175.800 -0.006 0.000 1.102 227 F CA -0.856 57.194 58.000 0.083 0.000 0.952 227 F CB 1.542 40.676 39.000 0.224 0.000 1.326 227 F HN 0.751 nan 8.300 nan 0.000 0.456 228 R N 2.635 123.079 120.500 -0.093 0.000 2.514 228 R HA 0.538 4.885 4.340 0.012 0.000 0.296 228 R C -1.975 174.317 176.300 -0.014 0.000 1.012 228 R CA -0.408 55.604 56.100 -0.147 0.000 0.897 228 R CB 1.735 31.957 30.300 -0.129 0.000 1.184 228 R HN 0.997 nan 8.270 nan 0.000 0.440 229 Q N 2.761 122.613 119.800 0.086 0.000 2.313 229 Q HA 0.260 4.607 4.340 0.012 0.000 0.260 229 Q C -1.043 174.981 176.000 0.039 0.000 0.972 229 Q CA 0.579 56.455 55.803 0.121 0.000 0.886 229 Q CB 1.818 30.741 28.738 0.309 0.000 1.373 229 Q HN 0.889 nan 8.270 nan 0.000 0.416 230 E N 1.678 121.878 120.200 -0.000 0.000 2.238 230 E HA -0.214 4.143 4.350 0.012 0.000 0.219 230 E C 0.682 177.242 176.600 -0.067 0.000 1.275 230 E CA 1.606 57.985 56.400 -0.035 0.000 0.714 230 E CB -2.593 27.089 29.700 -0.030 0.000 1.154 230 E HN 2.071 nan 8.360 nan 0.000 0.363 231 G N -1.653 107.106 108.800 -0.068 0.000 2.162 231 G HA2 -0.286 3.681 3.960 0.012 0.000 0.260 231 G HA3 -0.286 3.681 3.960 0.012 0.000 0.260 231 G C 0.357 175.185 174.900 -0.120 0.000 0.976 231 G CA 0.719 45.774 45.100 -0.075 0.000 0.655 231 G HN 1.163 nan 8.290 nan 0.000 0.533 232 R N 0.142 120.523 120.500 -0.198 0.000 2.599 232 R HA 0.636 4.983 4.340 0.012 0.000 0.295 232 R C -0.534 175.545 176.300 -0.368 0.000 0.963 232 R CA -0.640 55.242 56.100 -0.364 0.000 0.883 232 R CB 1.582 31.395 30.300 -0.811 0.000 1.171 232 R HN 0.417 nan 8.270 nan 0.000 0.450 233 E N 0.922 120.934 120.200 -0.313 0.000 2.367 233 E HA 0.742 5.099 4.350 0.012 0.000 0.273 233 E C -1.422 174.988 176.600 -0.317 0.000 0.903 233 E CA -1.076 55.042 56.400 -0.468 0.000 0.764 233 E CB 2.502 32.051 29.700 -0.251 0.000 1.252 233 E HN 0.589 nan 8.360 nan 0.000 0.446 234 A N 2.008 124.506 122.820 -0.537 0.000 2.594 234 A HA 0.831 5.158 4.320 0.012 0.000 0.295 234 A C -1.776 175.732 177.584 -0.125 0.000 1.071 234 A CA -0.647 51.332 52.037 -0.096 0.000 0.685 234 A CB 1.484 20.775 19.000 0.485 0.000 1.285 234 A HN 0.537 nan 8.150 nan 0.000 0.405 235 L N 0.724 121.709 121.223 -0.397 0.000 2.506 235 L HA 0.885 5.232 4.340 0.012 0.000 0.257 235 L C -0.355 175.805 176.870 -1.183 0.000 0.964 235 L CA 0.176 54.534 54.840 -0.802 0.000 0.836 235 L CB 2.273 44.031 42.059 -0.502 0.000 1.384 235 L HN 1.592 nan 8.230 nan 0.000 0.410 236 G N 1.820 109.534 108.800 -1.811 0.000 2.523 236 G HA2 0.512 4.479 3.960 0.012 0.000 0.291 236 G HA3 0.512 4.479 3.960 0.012 0.000 0.291 236 G C -2.187 171.943 174.900 -1.284 0.000 1.450 236 G CA -0.533 43.762 45.100 -1.341 0.000 0.790 236 G HN 0.320 nan 8.290 nan 0.000 0.496 237 F N 1.453 121.347 119.950 -0.093 0.000 2.451 237 F HA 0.532 5.067 4.527 0.012 0.000 0.367 237 F C 0.820 176.667 175.800 0.078 0.000 1.100 237 F CA -0.963 57.030 58.000 -0.013 0.000 1.171 237 F CB 1.846 40.832 39.000 -0.023 0.000 1.405 237 F HN 0.334 nan 8.300 nan 0.000 0.482 238 S N 4.956 120.792 115.700 0.226 0.000 2.498 238 S HA 0.148 4.625 4.470 0.012 0.000 0.281 238 S C -1.079 173.614 174.600 0.154 0.000 1.265 238 S CA -1.043 57.285 58.200 0.213 0.000 1.071 238 S CB 0.688 64.018 63.200 0.216 0.000 0.894 238 S HN 0.391 nan 8.310 nan 0.000 0.491 239 P HA 0.059 nan 4.420 nan 0.000 0.240 239 P C -0.147 177.193 177.300 0.068 0.000 1.190 239 P CA 0.541 63.704 63.100 0.105 0.000 0.781 239 P CB -0.029 31.722 31.700 0.086 0.000 0.931 240 E N -0.855 119.381 120.200 0.059 0.000 2.401 240 E HA 0.309 4.666 4.350 0.012 0.000 0.280 240 E C -1.347 175.287 176.600 0.057 0.000 1.039 240 E CA -0.995 55.432 56.400 0.046 0.000 0.814 240 E CB 0.614 30.324 29.700 0.017 0.000 1.275 240 E HN -0.145 nan 8.360 nan 0.000 0.448 241 L N 2.353 123.609 121.223 0.056 0.000 2.331 241 L HA 0.189 4.537 4.340 0.012 0.000 0.278 241 L C 1.391 178.292 176.870 0.051 0.000 1.106 241 L CA -0.597 54.284 54.840 0.068 0.000 0.824 241 L CB 1.232 43.331 42.059 0.067 0.000 1.142 241 L HN 0.535 nan 8.230 nan 0.000 0.443 242 V N 3.019 122.978 119.914 0.075 0.000 2.307 242 V HA -0.084 4.043 4.120 0.012 0.000 0.245 242 V C 0.593 176.713 176.094 0.043 0.000 1.045 242 V CA 1.574 63.908 62.300 0.056 0.000 1.024 242 V CB -0.166 31.738 31.823 0.135 0.000 0.651 242 V HN 0.815 nan 8.190 nan 0.000 0.449 243 M N -1.359 118.286 119.600 0.076 0.000 2.490 243 M HA 0.444 4.932 4.480 0.012 0.000 0.286 243 M C -1.749 174.569 176.300 0.030 0.000 1.185 243 M CA -0.087 55.226 55.300 0.022 0.000 0.912 243 M CB 2.254 34.843 32.600 -0.018 0.000 1.744 243 M HN 0.016 nan 8.290 nan 0.000 0.494 244 S N 2.253 117.949 115.700 -0.007 0.000 2.571 244 S HA 0.838 5.315 4.470 0.012 0.000 0.284 244 S C -1.809 172.765 174.600 -0.042 0.000 1.128 244 S CA -0.497 57.707 58.200 0.007 0.000 0.970 244 S CB 1.905 65.124 63.200 0.032 0.000 1.039 244 S HN 0.519 nan 8.310 nan 0.000 0.485 245 V N 3.958 123.844 119.914 -0.047 0.000 2.487 245 V HA 0.627 4.754 4.120 0.012 0.000 0.298 245 V C -0.536 175.550 176.094 -0.014 0.000 1.028 245 V CA -0.526 61.736 62.300 -0.063 0.000 0.860 245 V CB 1.976 33.716 31.823 -0.138 0.000 0.991 245 V HN 0.928 nan 8.190 nan 0.000 0.427 246 T N 3.604 118.150 114.554 -0.013 0.000 2.906 246 T HA 0.641 4.998 4.350 0.012 0.000 0.302 246 T C 0.678 175.375 174.700 -0.006 0.000 1.002 246 T CA 0.308 62.406 62.100 -0.004 0.000 0.988 246 T CB 1.219 70.088 68.868 0.003 0.000 0.972 246 T HN 1.382 nan 8.240 nan 0.000 0.447 247 G N 4.490 113.287 108.800 -0.005 0.000 2.629 247 G HA2 -0.385 3.582 3.960 0.012 0.000 0.313 247 G HA3 -0.385 3.582 3.960 0.012 0.000 0.313 247 G C 0.870 175.764 174.900 -0.010 0.000 1.217 247 G CA 0.918 46.015 45.100 -0.005 0.000 0.994 247 G HN 0.679 nan 8.290 nan 0.000 0.549 248 N N 0.638 119.332 118.700 -0.010 0.000 2.254 248 N HA 0.135 4.882 4.740 0.012 0.000 0.190 248 N C 0.645 176.143 175.510 -0.020 0.000 1.107 248 N CA 0.821 53.862 53.050 -0.014 0.000 0.869 248 N CB 0.141 38.623 38.487 -0.008 0.000 0.983 248 N HN 0.519 nan 8.380 nan 0.000 0.487 249 K N 0.915 121.304 120.400 -0.018 0.000 2.276 249 K HA 0.220 4.548 4.320 0.012 0.000 0.285 249 K C -1.192 175.390 176.600 -0.031 0.000 1.062 249 K CA -0.294 55.981 56.287 -0.019 0.000 0.918 249 K CB 0.921 33.415 32.500 -0.010 0.000 1.055 249 K HN -0.154 nan 8.250 nan 0.000 0.477 250 V N 5.476 125.367 119.914 -0.038 0.000 2.513 250 V HA 0.523 4.650 4.120 0.012 0.000 0.299 250 V C -1.090 174.982 176.094 -0.037 0.000 1.035 250 V CA -0.551 61.717 62.300 -0.054 0.000 0.889 250 V CB 1.799 33.577 31.823 -0.075 0.000 0.988 250 V HN 0.544 nan 8.190 nan 0.000 0.440 251 V N 5.182 125.076 119.914 -0.033 0.000 2.823 251 V HA 0.724 4.851 4.120 0.012 0.000 0.312 251 V C -0.084 175.999 176.094 -0.017 0.000 1.072 251 V CA -0.289 62.001 62.300 -0.016 0.000 0.937 251 V CB 2.248 34.071 31.823 -0.001 0.000 1.013 251 V HN 1.018 nan 8.190 nan 0.000 0.430 252 T N 2.208 116.754 114.554 -0.013 0.000 2.903 252 T HA 0.531 4.888 4.350 0.012 0.000 0.299 252 T C -1.160 173.539 174.700 -0.001 0.000 1.093 252 T CA -0.426 61.667 62.100 -0.012 0.000 1.002 252 T CB 1.830 70.680 68.868 -0.030 0.000 1.127 252 T HN 0.862 nan 8.240 nan 0.000 0.488 253 E N 3.676 123.879 120.200 0.005 0.000 3.374 253 E HA 0.320 4.677 4.350 0.012 0.000 0.223 253 E C -2.557 174.054 176.600 0.017 0.000 1.210 253 E CA -2.194 54.219 56.400 0.020 0.000 0.987 253 E CB 0.979 30.698 29.700 0.032 0.000 1.322 253 E HN 0.354 nan 8.360 nan 0.000 0.404 254 P HA 0.052 nan 4.420 nan 0.000 0.265 254 P C -0.745 176.594 177.300 0.065 0.000 1.222 254 P CA -0.158 62.932 63.100 -0.018 0.000 0.767 254 P CB 0.598 32.242 31.700 -0.092 0.000 0.801 255 L N 4.095 125.348 121.223 0.050 0.000 2.296 255 L HA 0.735 5.082 4.340 0.012 0.000 0.286 255 L C 0.246 177.161 176.870 0.074 0.000 1.023 255 L CA -0.045 54.852 54.840 0.094 0.000 0.812 255 L CB 1.445 43.489 42.059 -0.025 0.000 1.223 255 L HN 0.490 nan 8.230 nan 0.000 0.421 256 A N 2.542 125.505 122.820 0.238 0.000 2.555 256 A HA 0.772 5.100 4.320 0.012 0.000 0.297 256 A C -0.331 177.409 177.584 0.260 0.000 1.060 256 A CA -0.055 52.101 52.037 0.197 0.000 0.710 256 A CB 1.379 20.454 19.000 0.126 0.000 1.282 256 A HN 1.235 nan 8.150 nan 0.000 0.399 257 G N 1.137 110.051 108.800 0.190 0.000 3.445 257 G HA2 0.453 4.421 3.960 0.012 0.000 0.686 257 G HA3 0.453 4.421 3.960 0.012 0.000 0.686 257 G C -0.618 174.386 174.900 0.174 0.000 1.113 257 G CA -0.149 45.042 45.100 0.151 0.000 0.974 257 G HN 1.483 nan 8.290 nan 0.000 0.492 258 T N 3.462 118.106 114.554 0.150 0.000 2.893 258 T HA 0.839 5.196 4.350 0.012 0.000 0.293 258 T C -0.152 174.568 174.700 0.034 0.000 1.027 258 T CA -0.883 61.292 62.100 0.125 0.000 0.988 258 T CB 1.948 70.951 68.868 0.225 0.000 1.043 258 T HN 0.650 nan 8.240 nan 0.000 0.461 259 R N 1.788 122.267 120.500 -0.035 0.000 2.837 259 R HA 0.466 4.813 4.340 0.012 0.000 0.271 259 R C -0.779 175.497 176.300 -0.040 0.000 0.993 259 R CA -1.122 54.962 56.100 -0.026 0.000 0.931 259 R CB 1.402 31.678 30.300 -0.039 0.000 1.206 259 R HN 0.928 nan 8.270 nan 0.000 0.474 260 D N -0.473 119.935 120.400 0.014 0.000 2.368 260 D HA 0.094 4.742 4.640 0.012 0.000 0.240 260 D C -0.013 176.321 176.300 0.056 0.000 1.169 260 D CA -0.283 53.744 54.000 0.045 0.000 0.906 260 D CB 0.686 41.550 40.800 0.107 0.000 1.187 260 D HN 0.524 nan 8.370 nan 0.000 0.435 261 R N 0.573 121.106 120.500 0.056 0.000 2.734 261 R HA 0.282 4.629 4.340 0.012 0.000 0.395 261 R C -0.334 176.009 176.300 0.071 0.000 1.096 261 R CA -0.551 55.596 56.100 0.079 0.000 1.071 261 R CB -0.199 30.113 30.300 0.020 0.000 1.348 261 R HN 0.355 nan 8.270 nan 0.000 0.600 262 M N 1.323 120.962 119.600 0.066 0.000 3.533 262 M HA 0.360 4.848 4.480 0.012 0.000 0.217 262 M C 0.054 176.271 176.300 -0.138 0.000 1.269 262 M CA -0.188 55.103 55.300 -0.015 0.000 1.435 262 M CB 1.196 33.789 32.600 -0.012 0.000 1.105 262 M HN 0.629 nan 8.290 nan 0.000 0.555 263 G N -0.155 108.583 108.800 -0.102 0.000 2.650 263 G HA2 0.299 4.266 3.960 0.012 0.000 0.310 263 G HA3 0.299 4.266 3.960 0.012 0.000 0.310 263 G C -1.338 173.542 174.900 -0.033 0.000 1.270 263 G CA -0.999 43.989 45.100 -0.188 0.000 0.810 263 G HN 0.479 nan 8.290 nan 0.000 0.493 264 N N 0.744 119.439 118.700 -0.008 0.000 2.399 264 N HA 0.170 4.917 4.740 0.012 0.000 0.250 264 N C -1.960 173.584 175.510 0.058 0.000 1.272 264 N CA -1.111 51.953 53.050 0.025 0.000 0.928 264 N CB 1.256 39.759 38.487 0.027 0.000 1.158 264 N HN 0.019 nan 8.380 nan 0.000 0.463 265 P HA -0.172 nan 4.420 nan 0.000 0.220 265 P C 1.223 178.548 177.300 0.042 0.000 1.144 265 P CA 1.853 64.973 63.100 0.033 0.000 0.800 265 P CB -0.002 31.708 31.700 0.017 0.000 0.772 266 E N -0.740 119.491 120.200 0.052 0.000 2.033 266 E HA -0.216 4.142 4.350 0.012 0.000 0.189 266 E C 1.935 178.577 176.600 0.070 0.000 0.979 266 E CA 1.439 57.868 56.400 0.049 0.000 0.802 266 E CB -1.893 27.833 29.700 0.043 0.000 0.763 266 E HN 0.476 nan 8.360 nan 0.000 0.449 267 H N 0.890 119.959 119.070 -0.002 0.000 2.421 267 H HA -0.078 4.486 4.556 0.013 0.000 0.298 267 H C 1.953 177.279 175.328 -0.003 0.000 1.087 267 H CA 1.954 58.001 56.048 -0.001 0.000 1.330 267 H CB 0.126 29.887 29.762 -0.002 0.000 1.388 267 H HN 0.330 nan 8.280 nan 0.000 0.526 268 N N 0.489 119.268 118.700 0.132 0.000 2.135 268 N HA -0.109 4.638 4.740 0.012 0.000 0.186 268 N C 1.705 177.202 175.510 -0.021 0.000 1.027 268 N CA 0.897 53.983 53.050 0.059 0.000 0.849 268 N CB -0.123 38.410 38.487 0.076 0.000 1.002 268 N HN 0.290 nan 8.380 nan 0.000 0.425 269 K N 1.076 121.471 120.400 -0.008 0.000 2.032 269 K HA 0.019 4.346 4.320 0.012 0.000 0.209 269 K C 1.917 178.496 176.600 -0.035 0.000 1.048 269 K CA 1.011 57.289 56.287 -0.015 0.000 0.927 269 K CB -0.433 32.066 32.500 -0.001 0.000 0.712 269 K HN 0.153 nan 8.250 nan 0.000 0.441 270 A N 1.856 124.641 122.820 -0.058 0.000 1.940 270 A HA -0.182 4.145 4.320 0.012 0.000 0.219 270 A C 2.048 179.567 177.584 -0.109 0.000 1.176 270 A CA 1.545 53.535 52.037 -0.079 0.000 0.631 270 A CB -0.210 18.731 19.000 -0.099 0.000 0.814 270 A HN 0.119 nan 8.150 nan 0.000 0.446 271 K N -0.336 119.960 120.400 -0.174 0.000 2.103 271 K HA -0.106 4.221 4.320 0.012 0.000 0.204 271 K C 1.920 178.473 176.600 -0.079 0.000 1.052 271 K CA 1.395 57.587 56.287 -0.158 0.000 0.945 271 K CB -0.370 32.000 32.500 -0.217 0.000 0.722 271 K HN 0.789 nan 8.250 nan 0.000 0.443 272 E N 0.682 120.846 120.200 -0.060 0.000 2.031 272 E HA -0.171 4.186 4.350 0.012 0.000 0.193 272 E C 1.905 178.494 176.600 -0.019 0.000 0.994 272 E CA 1.194 57.569 56.400 -0.041 0.000 0.800 272 E CB -0.022 29.659 29.700 -0.031 0.000 0.752 272 E HN 0.209 nan 8.360 nan 0.000 0.447 273 A N 1.384 124.210 122.820 0.009 0.000 1.892 273 A HA -0.274 4.053 4.320 0.012 0.000 0.218 273 A C 2.102 179.746 177.584 0.101 0.000 1.188 273 A CA 1.853 53.938 52.037 0.080 0.000 0.631 273 A CB -0.779 18.256 19.000 0.058 0.000 0.822 273 A HN 0.473 nan 8.150 nan 0.000 0.447 274 E N -0.969 119.249 120.200 0.031 0.000 2.331 274 E HA -0.171 4.186 4.350 0.012 0.000 0.199 274 E C 1.670 178.285 176.600 0.024 0.000 1.008 274 E CA 1.190 57.605 56.400 0.026 0.000 0.843 274 E CB -0.078 29.613 29.700 -0.015 0.000 0.761 274 E HN 0.530 nan 8.360 nan 0.000 0.507 275 L N -0.223 120.998 121.223 -0.002 0.000 2.269 275 L HA 0.077 4.424 4.340 0.012 0.000 0.200 275 L C 1.956 178.785 176.870 -0.069 0.000 1.069 275 L CA 0.875 55.699 54.840 -0.026 0.000 0.804 275 L CB -0.183 41.851 42.059 -0.041 0.000 0.987 275 L HN 0.083 nan 8.230 nan 0.000 0.468 276 L N -0.627 120.513 121.223 -0.138 0.000 2.349 276 L HA -0.190 4.157 4.340 0.012 0.000 0.220 276 L C 1.141 177.703 176.870 -0.513 0.000 1.130 276 L CA 1.270 55.904 54.840 -0.343 0.000 0.791 276 L CB -0.362 41.421 42.059 -0.460 0.000 0.918 276 L HN 0.501 nan 8.230 nan 0.000 0.444 277 H N -3.787 115.276 119.070 -0.012 0.000 3.398 277 H HA 0.126 4.682 4.556 0.000 0.000 0.260 277 H C -0.214 175.114 175.328 0.001 0.000 1.189 277 H CA -0.585 55.460 56.048 -0.005 0.000 1.145 277 H CB 0.509 30.267 29.762 -0.007 0.000 1.599 277 H HN 0.057 nan 8.280 nan 0.000 0.615 278 D N 0.923 121.368 120.400 0.075 0.000 2.358 278 D HA -0.004 4.644 4.640 0.012 0.000 0.258 278 D C 1.446 177.773 176.300 0.045 0.000 1.223 278 D CA 0.252 54.284 54.000 0.054 0.000 0.886 278 D CB 0.985 41.807 40.800 0.037 0.000 1.120 278 D HN 0.278 nan 8.370 nan 0.000 0.482 279 S N 4.316 120.044 115.700 0.047 0.000 2.383 279 S HA -0.256 4.221 4.470 0.012 0.000 0.229 279 S C 1.873 176.497 174.600 0.041 0.000 1.030 279 S CA 0.607 58.832 58.200 0.042 0.000 1.002 279 S CB -0.236 62.986 63.200 0.038 0.000 0.829 279 S HN 0.490 nan 8.310 nan 0.000 0.467 280 K N 1.378 121.802 120.400 0.040 0.000 2.057 280 K HA -0.122 4.205 4.320 0.012 0.000 0.207 280 K C 1.909 178.541 176.600 0.053 0.000 1.049 280 K CA 1.692 58.005 56.287 0.043 0.000 0.931 280 K CB -0.388 32.137 32.500 0.041 0.000 0.714 280 K HN 0.442 nan 8.250 nan 0.000 0.440 281 E N 0.607 120.838 120.200 0.052 0.000 2.072 281 E HA -0.090 4.267 4.350 0.012 0.000 0.190 281 E C 2.250 178.898 176.600 0.079 0.000 0.982 281 E CA 0.756 57.194 56.400 0.063 0.000 0.803 281 E CB -0.361 29.366 29.700 0.046 0.000 0.755 281 E HN 0.102 nan 8.360 nan 0.000 0.453 282 V N 1.835 121.783 119.914 0.057 0.000 2.343 282 V HA -0.244 3.884 4.120 0.012 0.000 0.247 282 V C 2.491 178.642 176.094 0.095 0.000 1.051 282 V CA 1.502 63.842 62.300 0.067 0.000 1.036 282 V CB -0.566 31.277 31.823 0.032 0.000 0.654 282 V HN 0.148 nan 8.190 nan 0.000 0.451 283 L N 1.191 122.455 121.223 0.068 0.000 1.994 283 L HA -0.212 4.135 4.340 0.012 0.000 0.208 283 L C 2.637 179.543 176.870 0.060 0.000 1.071 283 L CA 2.653 57.527 54.840 0.056 0.000 0.745 283 L CB -0.844 41.241 42.059 0.043 0.000 0.892 283 L HN 0.652 nan 8.230 nan 0.000 0.431 284 E N -1.866 118.377 120.200 0.071 0.000 2.118 284 E HA -0.345 4.012 4.350 0.012 0.000 0.195 284 E C 2.138 178.779 176.600 0.068 0.000 0.992 284 E CA 1.751 58.191 56.400 0.067 0.000 0.804 284 E CB -0.685 29.060 29.700 0.075 0.000 0.741 284 E HN 0.701 nan 8.360 nan 0.000 0.458 285 H N 0.436 119.519 119.070 0.022 0.000 2.293 285 H HA -0.054 4.511 4.556 0.016 0.000 0.300 285 H C 1.838 177.172 175.328 0.011 0.000 1.082 285 H CA 2.195 58.254 56.048 0.017 0.000 1.308 285 H CB -0.026 29.745 29.762 0.016 0.000 1.375 285 H HN 0.164 nan 8.280 nan 0.000 0.495 286 I N 0.366 120.946 120.570 0.017 0.000 2.315 286 I HA -0.199 3.978 4.170 0.012 0.000 0.248 286 I C 2.425 178.506 176.117 -0.061 0.000 1.117 286 I CA 0.879 62.165 61.300 -0.024 0.000 1.404 286 I CB -1.032 36.998 38.000 0.050 0.000 1.071 286 I HN 0.354 nan 8.210 nan 0.000 0.419 287 L N 0.186 121.388 121.223 -0.035 0.000 2.042 287 L HA -0.228 4.119 4.340 0.012 0.000 0.210 287 L C 2.609 179.442 176.870 -0.061 0.000 1.076 287 L CA 1.299 56.121 54.840 -0.031 0.000 0.749 287 L CB -0.588 41.468 42.059 -0.005 0.000 0.893 287 L HN 0.183 nan 8.230 nan 0.000 0.432 288 S N -0.620 115.019 115.700 -0.101 0.000 2.368 288 S HA -0.129 4.348 4.470 0.012 0.000 0.224 288 S C 2.031 176.540 174.600 -0.152 0.000 1.029 288 S CA 1.129 59.254 58.200 -0.124 0.000 0.988 288 S CB -0.252 62.859 63.200 -0.149 0.000 0.838 288 S HN 0.168 nan 8.310 nan 0.000 0.462 289 V N 2.039 121.821 119.914 -0.221 0.000 2.343 289 V HA -0.177 3.951 4.120 0.012 0.000 0.247 289 V C 2.292 178.333 176.094 -0.090 0.000 1.051 289 V CA 1.604 63.800 62.300 -0.173 0.000 1.036 289 V CB -0.544 31.173 31.823 -0.177 0.000 0.654 289 V HN 0.415 nan 8.190 nan 0.000 0.451 290 K N -0.412 119.945 120.400 -0.071 0.000 2.097 290 K HA -0.155 4.172 4.320 0.012 0.000 0.206 290 K C 2.209 178.785 176.600 -0.040 0.000 1.049 290 K CA 1.217 57.479 56.287 -0.042 0.000 0.933 290 K CB -0.137 32.346 32.500 -0.028 0.000 0.717 290 K HN 0.409 nan 8.250 nan 0.000 0.442 291 E N 0.455 120.627 120.200 -0.048 0.000 2.106 291 E HA -0.142 4.215 4.350 0.012 0.000 0.192 291 E C 1.962 178.534 176.600 -0.048 0.000 0.984 291 E CA 1.056 57.430 56.400 -0.043 0.000 0.806 291 E CB -0.161 29.513 29.700 -0.043 0.000 0.750 291 E HN 0.303 nan 8.360 nan 0.000 0.458 292 A N 1.250 124.035 122.820 -0.058 0.000 1.898 292 A HA -0.119 4.208 4.320 0.012 0.000 0.216 292 A C 2.352 179.911 177.584 -0.043 0.000 1.181 292 A CA 0.970 52.974 52.037 -0.056 0.000 0.620 292 A CB -0.654 18.308 19.000 -0.063 0.000 0.819 292 A HN 0.162 nan 8.150 nan 0.000 0.442 293 I N -0.030 120.517 120.570 -0.039 0.000 2.151 293 I HA -0.347 3.830 4.170 0.012 0.000 0.243 293 I C 2.959 179.060 176.117 -0.025 0.000 1.080 293 I CA 1.296 62.579 61.300 -0.028 0.000 1.339 293 I CB -0.340 37.647 38.000 -0.023 0.000 1.039 293 I HN 0.366 nan 8.210 nan 0.000 0.409 294 A N 0.130 122.934 122.820 -0.026 0.000 1.933 294 A HA -0.212 4.115 4.320 0.012 0.000 0.218 294 A C 2.215 179.785 177.584 -0.024 0.000 1.175 294 A CA 1.608 53.632 52.037 -0.022 0.000 0.628 294 A CB -0.527 18.460 19.000 -0.020 0.000 0.814 294 A HN 0.462 nan 8.150 nan 0.000 0.444 295 E N -0.141 120.040 120.200 -0.030 0.000 2.051 295 E HA -0.138 4.219 4.350 0.012 0.000 0.192 295 E C 1.973 178.555 176.600 -0.030 0.000 0.991 295 E CA 1.134 57.515 56.400 -0.033 0.000 0.799 295 E CB -0.299 29.375 29.700 -0.044 0.000 0.748 295 E HN 0.609 nan 8.360 nan 0.000 0.449 296 L N 0.970 122.174 121.223 -0.032 0.000 2.083 296 L HA -0.210 4.138 4.340 0.012 0.000 0.209 296 L C 2.297 179.154 176.870 -0.022 0.000 1.083 296 L CA 1.241 56.063 54.840 -0.029 0.000 0.752 296 L CB -0.395 41.646 42.059 -0.029 0.000 0.899 296 L HN 0.163 nan 8.230 nan 0.000 0.433 297 E N 0.017 120.205 120.200 -0.019 0.000 2.204 297 E HA -0.198 4.159 4.350 0.012 0.000 0.195 297 E C 2.195 178.788 176.600 -0.012 0.000 0.990 297 E CA 0.944 57.336 56.400 -0.014 0.000 0.821 297 E CB -0.093 29.600 29.700 -0.012 0.000 0.750 297 E HN 0.495 nan 8.360 nan 0.000 0.477 298 A N 0.763 123.575 122.820 -0.013 0.000 2.067 298 A HA -0.098 4.229 4.320 0.012 0.000 0.219 298 A C 2.120 179.700 177.584 -0.006 0.000 1.158 298 A CA 1.426 53.457 52.037 -0.009 0.000 0.661 298 A CB -0.068 18.925 19.000 -0.010 0.000 0.801 298 A HN 0.237 nan 8.150 nan 0.000 0.452 299 V N -5.839 114.069 119.914 -0.010 0.000 3.330 299 V HA 0.347 4.474 4.120 0.012 0.000 0.309 299 V C 0.253 176.341 176.094 -0.011 0.000 1.481 299 V CA -0.672 61.624 62.300 -0.007 0.000 1.068 299 V CB -1.124 30.693 31.823 -0.010 0.000 0.935 299 V HN 0.313 nan 8.190 nan 0.000 0.453 300 C N 0.714 120.007 119.300 -0.012 0.000 2.595 300 C HA 0.683 5.150 4.460 0.012 0.000 0.338 300 C C 0.365 175.350 174.990 -0.008 0.000 1.219 300 C CA -1.068 57.943 59.018 -0.012 0.000 1.811 300 C CB 1.770 29.501 27.740 -0.015 0.000 2.313 300 C HN 0.538 nan 8.230 nan 0.000 0.499 301 L N 3.040 124.259 121.223 -0.007 0.000 2.499 301 L HA 0.161 4.508 4.340 0.012 0.000 0.273 301 L C -2.034 174.833 176.870 -0.005 0.000 1.195 301 L CA -0.813 54.023 54.840 -0.005 0.000 0.882 301 L CB -0.091 41.965 42.059 -0.004 0.000 1.133 301 L HN 0.393 nan 8.230 nan 0.000 0.483 302 P HA -0.026 nan 4.420 nan 0.000 0.264 302 P C 0.825 178.123 177.300 -0.003 0.000 1.183 302 P CA 0.888 63.986 63.100 -0.004 0.000 0.763 302 P CB 0.648 32.346 31.700 -0.003 0.000 0.807 303 G N 2.370 111.168 108.800 -0.003 0.000 2.184 303 G HA2 -0.327 3.641 3.960 0.012 0.000 0.264 303 G HA3 -0.327 3.641 3.960 0.012 0.000 0.264 303 G C 1.121 176.019 174.900 -0.003 0.000 0.975 303 G CA 0.698 45.796 45.100 -0.003 0.000 0.642 303 G HN 0.625 nan 8.290 nan 0.000 0.536 304 S N -1.205 114.492 115.700 -0.004 0.000 2.501 304 S HA 0.434 4.912 4.470 0.012 0.000 0.220 304 S C 0.910 175.507 174.600 -0.006 0.000 0.997 304 S CA 0.692 58.890 58.200 -0.005 0.000 0.919 304 S CB 0.533 63.730 63.200 -0.006 0.000 0.778 304 S HN 0.827 nan 8.310 nan 0.000 0.523 305 V N 3.604 123.514 119.914 -0.007 0.000 2.455 305 V HA 0.558 4.685 4.120 0.012 0.000 0.273 305 V C 0.134 176.225 176.094 -0.005 0.000 1.045 305 V CA -0.311 61.984 62.300 -0.008 0.000 0.976 305 V CB 0.498 32.314 31.823 -0.011 0.000 0.993 305 V HN 0.486 nan 8.190 nan 0.000 0.475 306 V N 3.418 123.330 119.914 -0.004 0.000 3.007 306 V HA 0.708 4.836 4.120 0.012 0.000 0.311 306 V C -0.566 175.529 176.094 0.002 0.000 1.120 306 V CA -0.882 61.418 62.300 0.000 0.000 0.980 306 V CB 2.203 34.028 31.823 0.002 0.000 1.033 306 V HN 0.369 nan 8.190 nan 0.000 0.429 307 V N 2.954 122.872 119.914 0.006 0.000 2.385 307 V HA 0.374 4.501 4.120 0.012 0.000 0.269 307 V C 1.049 177.152 176.094 0.015 0.000 1.043 307 V CA 0.127 62.434 62.300 0.012 0.000 0.906 307 V CB 0.404 32.238 31.823 0.018 0.000 0.995 307 V HN 1.079 nan 8.190 nan 0.000 0.467 308 E N 2.417 122.626 120.200 0.016 0.000 2.250 308 E HA 0.008 4.365 4.350 0.012 0.000 0.192 308 E C 0.062 176.674 176.600 0.020 0.000 0.986 308 E CA 0.572 56.982 56.400 0.016 0.000 0.849 308 E CB 0.463 30.172 29.700 0.015 0.000 0.797 308 E HN 0.813 nan 8.360 nan 0.000 0.482 309 D N 0.123 120.539 120.400 0.027 0.000 2.736 309 D HA 0.208 4.856 4.640 0.012 0.000 0.243 309 D C -1.840 174.486 176.300 0.042 0.000 1.304 309 D CA -0.577 53.441 54.000 0.030 0.000 0.934 309 D CB 1.275 42.093 40.800 0.030 0.000 1.382 309 D HN -0.150 nan 8.370 nan 0.000 0.571 310 L N 5.391 126.636 121.223 0.037 0.000 2.262 310 L HA 0.529 4.877 4.340 0.012 0.000 0.288 310 L C 0.131 177.020 176.870 0.032 0.000 1.035 310 L CA -0.297 54.575 54.840 0.054 0.000 0.820 310 L CB 0.843 42.927 42.059 0.042 0.000 1.204 310 L HN 0.826 nan 8.230 nan 0.000 0.424 311 M N 3.932 123.563 119.600 0.050 0.000 2.303 311 M HA -0.211 4.276 4.480 0.012 0.000 0.189 311 M C -0.803 175.419 176.300 -0.131 0.000 0.688 311 M CA 0.996 56.225 55.300 -0.118 0.000 0.479 311 M CB -0.714 31.829 32.600 -0.095 0.000 1.094 311 M HN 0.828 nan 8.290 nan 0.000 0.907 312 S N -0.256 115.393 115.700 -0.085 0.000 2.608 312 S HA 0.776 5.253 4.470 0.012 0.000 0.291 312 S C 0.089 174.646 174.600 -0.072 0.000 1.146 312 S CA -1.046 57.115 58.200 -0.066 0.000 1.043 312 S CB 2.214 65.399 63.200 -0.024 0.000 1.037 312 S HN 0.318 nan 8.310 nan 0.000 0.520 313 V N 3.103 122.981 119.914 -0.060 0.000 2.530 313 V HA 0.405 4.532 4.120 0.012 0.000 0.282 313 V C 0.120 176.206 176.094 -0.012 0.000 1.048 313 V CA -0.468 61.804 62.300 -0.047 0.000 0.997 313 V CB 0.243 32.033 31.823 -0.054 0.000 0.987 313 V HN 0.770 nan 8.190 nan 0.000 0.477 314 R N 3.871 124.380 120.500 0.015 0.000 2.393 314 R HA 0.439 4.786 4.340 0.012 0.000 0.315 314 R C -0.700 175.622 176.300 0.036 0.000 0.952 314 R CA -0.764 55.364 56.100 0.046 0.000 0.842 314 R CB 1.537 31.895 30.300 0.097 0.000 1.163 314 R HN 0.603 nan 8.270 nan 0.000 0.450 315 Q N 2.946 122.759 119.800 0.022 0.000 2.279 315 Q HA 0.287 4.635 4.340 0.012 0.000 0.256 315 Q C 0.118 176.136 176.000 0.031 0.000 0.937 315 Q CA -0.130 55.675 55.803 0.003 0.000 0.933 315 Q CB 1.543 30.278 28.738 -0.005 0.000 1.189 315 Q HN 0.199 nan 8.270 nan 0.000 0.417 316 R N 1.621 122.135 120.500 0.023 0.000 2.738 316 R HA 0.308 4.655 4.340 0.012 0.000 0.280 316 R C 0.799 177.124 176.300 0.042 0.000 1.456 316 R CA 0.226 56.371 56.100 0.075 0.000 1.612 316 R CB 0.535 30.967 30.300 0.219 0.000 1.286 316 R HN 0.943 nan 8.270 nan 0.000 0.660 317 G N 1.324 110.123 108.800 -0.002 0.000 3.879 317 G HA2 -0.464 3.503 3.960 0.012 0.000 0.318 317 G HA3 -0.464 3.503 3.960 0.012 0.000 0.318 317 G C 0.925 175.830 174.900 0.009 0.000 1.344 317 G CA 0.984 46.071 45.100 -0.021 0.000 1.024 317 G HN 0.473 nan 8.290 nan 0.000 0.681 318 S N 0.309 116.034 115.700 0.042 0.000 2.528 318 S HA 0.493 4.970 4.470 0.012 0.000 0.219 318 S C 0.838 175.448 174.600 0.016 0.000 0.985 318 S CA 1.372 59.601 58.200 0.048 0.000 0.914 318 S CB 0.012 63.260 63.200 0.079 0.000 0.776 318 S HN 2.085 nan 8.310 nan 0.000 0.526 319 V N -0.752 119.146 119.914 -0.026 0.000 3.159 319 V HA 0.734 4.861 4.120 0.012 0.000 0.308 319 V C -1.578 174.333 176.094 -0.305 0.000 1.190 319 V CA -1.273 60.940 62.300 -0.145 0.000 1.037 319 V CB 1.747 33.488 31.823 -0.137 0.000 1.060 319 V HN 0.454 nan 8.190 nan 0.000 0.437 320 Q N 0.801 120.336 119.800 -0.440 0.000 2.389 320 Q HA 0.718 5.065 4.340 0.012 0.000 0.277 320 Q C -1.670 174.024 176.000 -0.509 0.000 1.082 320 Q CA -0.901 54.666 55.803 -0.393 0.000 0.810 320 Q CB 2.986 31.631 28.738 -0.155 0.000 1.374 320 Q HN 0.916 nan 8.270 nan 0.000 0.422 321 H N 0.958 120.031 119.070 0.006 0.000 2.928 321 H HA 0.435 4.998 4.556 0.012 0.000 0.371 321 H C -0.685 174.614 175.328 -0.049 0.000 1.186 321 H CA -0.837 55.212 56.048 0.002 0.000 1.134 321 H CB 1.710 31.494 29.762 0.036 0.000 1.824 321 H HN 0.532 nan 8.280 nan 0.000 0.554 322 L N 1.238 122.474 121.223 0.023 0.000 2.380 322 L HA 0.444 4.791 4.340 0.012 0.000 0.273 322 L C 0.931 177.694 176.870 -0.178 0.000 1.138 322 L CA -0.091 54.605 54.840 -0.241 0.000 0.832 322 L CB 0.813 42.555 42.059 -0.529 0.000 1.124 322 L HN 0.685 nan 8.230 nan 0.000 0.454 323 G N 1.403 110.127 108.800 -0.126 0.000 2.638 323 G HA2 0.639 4.606 3.960 0.012 0.000 0.302 323 G HA3 0.639 4.606 3.960 0.012 0.000 0.302 323 G C -1.342 173.651 174.900 0.156 0.000 1.365 323 G CA -0.266 44.909 45.100 0.123 0.000 0.987 323 G HN 0.489 nan 8.290 nan 0.000 0.495 324 S N -1.126 114.722 115.700 0.247 0.000 2.570 324 S HA 0.839 5.317 4.470 0.012 0.000 0.286 324 S C 0.017 174.669 174.600 0.087 0.000 1.099 324 S CA -0.500 57.802 58.200 0.169 0.000 0.913 324 S CB 2.130 65.457 63.200 0.212 0.000 1.085 324 S HN 1.081 nan 8.310 nan 0.000 0.480 325 G N 0.798 109.632 108.800 0.057 0.000 2.478 325 G HA2 0.618 4.586 3.960 0.012 0.000 0.317 325 G HA3 0.618 4.586 3.960 0.012 0.000 0.317 325 G C -1.263 173.650 174.900 0.022 0.000 1.259 325 G CA -0.467 44.654 45.100 0.034 0.000 0.933 325 G HN 0.574 nan 8.290 nan 0.000 0.478 326 V N 1.500 121.420 119.914 0.009 0.000 2.604 326 V HA 0.799 4.926 4.120 0.012 0.000 0.305 326 V C 0.129 176.220 176.094 -0.005 0.000 1.043 326 V CA -0.736 61.564 62.300 -0.000 0.000 0.888 326 V CB 1.514 33.330 31.823 -0.011 0.000 0.995 326 V HN 1.081 nan 8.190 nan 0.000 0.429 327 S N 2.492 118.189 115.700 -0.006 0.000 2.627 327 S HA 1.022 5.499 4.470 0.012 0.000 0.283 327 S C -0.348 174.245 174.600 -0.012 0.000 1.127 327 S CA -0.097 58.098 58.200 -0.009 0.000 0.863 327 S CB 2.400 65.597 63.200 -0.004 0.000 1.121 327 S HN 1.461 nan 8.310 nan 0.000 0.479 328 G N 0.005 108.796 108.800 -0.016 0.000 2.600 328 G HA2 0.572 4.539 3.960 0.012 0.000 0.293 328 G HA3 0.572 4.539 3.960 0.012 0.000 0.293 328 G C -2.133 172.757 174.900 -0.016 0.000 1.408 328 G CA -0.674 44.417 45.100 -0.015 0.000 0.782 328 G HN 0.599 nan 8.290 nan 0.000 0.482 329 Q N 0.459 120.251 119.800 -0.014 0.000 2.322 329 Q HA 0.404 4.752 4.340 0.012 0.000 0.265 329 Q C -0.157 175.834 176.000 -0.015 0.000 0.985 329 Q CA -0.515 55.280 55.803 -0.013 0.000 0.849 329 Q CB 2.290 31.023 28.738 -0.008 0.000 1.274 329 Q HN 0.465 nan 8.270 nan 0.000 0.449 330 L N 1.722 122.934 121.223 -0.018 0.000 2.490 330 L HA 0.132 4.479 4.340 0.012 0.000 0.274 330 L C 0.719 177.583 176.870 -0.009 0.000 1.201 330 L CA -0.168 54.662 54.840 -0.017 0.000 0.869 330 L CB 0.425 42.470 42.059 -0.022 0.000 1.123 330 L HN 0.621 nan 8.230 nan 0.000 0.484 331 A N 2.664 125.481 122.820 -0.006 0.000 2.466 331 A HA 0.322 4.649 4.320 0.012 0.000 0.238 331 A C 1.286 178.871 177.584 0.002 0.000 1.074 331 A CA 0.389 52.425 52.037 -0.002 0.000 0.774 331 A CB 0.291 19.291 19.000 -0.000 0.000 1.015 331 A HN 0.938 nan 8.150 nan 0.000 0.498 332 E N 1.484 121.685 120.200 0.003 0.000 2.160 332 E HA -0.254 4.103 4.350 0.012 0.000 0.195 332 E C 1.187 177.792 176.600 0.009 0.000 0.991 332 E CA 1.742 58.144 56.400 0.005 0.000 0.810 332 E CB -0.868 nan 29.700 nan 0.000 0.742 332 E HN 0.892 nan 8.360 nan 0.000 0.466 333 N N -0.023 118.682 118.700 0.010 0.000 2.322 333 N HA 0.001 4.748 4.740 0.012 0.000 0.194 333 N C -0.193 175.330 175.510 0.022 0.000 1.126 333 N CA 0.185 53.243 53.050 0.014 0.000 0.845 333 N CB 0.459 38.952 38.487 0.011 0.000 0.976 333 N HN 0.112 nan 8.380 nan 0.000 0.475 334 K N 1.243 121.655 120.400 0.021 0.000 2.316 334 K HA 0.266 4.594 4.320 0.012 0.000 0.251 334 K C -0.537 176.082 176.600 0.032 0.000 0.934 334 K CA -0.510 55.795 56.287 0.029 0.000 0.802 334 K CB 2.224 34.734 32.500 0.017 0.000 1.171 334 K HN 0.234 nan 8.250 nan 0.000 0.426 335 D N -0.505 119.929 120.400 0.057 0.000 2.621 335 D HA 0.364 5.011 4.640 0.012 0.000 0.255 335 D C 0.668 176.970 176.300 0.004 0.000 1.122 335 D CA -0.736 53.298 54.000 0.056 0.000 1.096 335 D CB 0.561 41.435 40.800 0.124 0.000 1.282 335 D HN 0.276 nan 8.370 nan 0.000 0.619 336 A N -0.662 122.110 122.820 -0.080 0.000 2.019 336 A HA -0.080 4.248 4.320 0.012 0.000 0.219 336 A C 1.833 179.145 177.584 -0.453 0.000 1.164 336 A CA 0.944 52.762 52.037 -0.364 0.000 0.644 336 A CB -1.116 17.572 19.000 -0.520 0.000 0.805 336 A HN 0.674 nan 8.150 nan 0.000 0.449 337 W N 0.302 121.605 121.300 0.006 0.000 2.436 337 W HA -0.048 4.620 4.660 0.013 0.000 0.284 337 W C 1.769 178.364 176.519 0.127 0.000 1.225 337 W CA 0.665 58.075 57.345 0.109 0.000 1.271 337 W CB -0.039 29.514 29.460 0.155 0.000 1.114 337 W HN 0.300 nan 8.180 nan 0.000 0.559 338 D N 0.202 120.753 120.400 0.252 0.000 2.097 338 D HA -0.151 4.497 4.640 0.012 0.000 0.197 338 D C 2.245 178.600 176.300 0.092 0.000 0.984 338 D CA 1.832 55.927 54.000 0.159 0.000 0.826 338 D CB -0.810 40.049 40.800 0.098 0.000 0.973 338 D HN 0.126 nan 8.370 nan 0.000 0.460 339 A N 0.720 123.549 122.820 0.016 0.000 1.902 339 A HA -0.183 4.145 4.320 0.012 0.000 0.217 339 A C 2.098 179.661 177.584 -0.036 0.000 1.181 339 A CA 1.019 53.029 52.037 -0.044 0.000 0.623 339 A CB -1.002 17.928 19.000 -0.116 0.000 0.818 339 A HN 0.227 nan 8.150 nan 0.000 0.443 340 F N 1.506 121.332 119.950 -0.206 0.000 2.134 340 F HA -0.157 4.377 4.527 0.012 0.000 0.299 340 F C 2.467 178.325 175.800 0.096 0.000 1.097 340 F CA 2.286 60.195 58.000 -0.152 0.000 1.264 340 F CB -0.657 38.164 39.000 -0.299 0.000 1.001 340 F HN 0.216 nan 8.300 nan 0.000 0.479 341 T N -0.338 114.349 114.554 0.223 0.000 2.788 341 T HA -0.188 4.169 4.350 0.012 0.000 0.268 341 T C 2.170 176.919 174.700 0.081 0.000 1.044 341 T CA 1.425 63.674 62.100 0.249 0.000 1.139 341 T CB -0.752 68.300 68.868 0.308 0.000 0.867 341 T HN 0.244 nan 8.240 nan 0.000 0.454 342 V N 1.164 121.095 119.914 0.029 0.000 2.307 342 V HA -0.011 4.116 4.120 0.012 0.000 0.245 342 V C 2.187 178.250 176.094 -0.053 0.000 1.045 342 V CA 1.461 63.755 62.300 -0.010 0.000 1.024 342 V CB -0.430 31.386 31.823 -0.012 0.000 0.651 342 V HN 0.479 nan 8.190 nan 0.000 0.449 343 L N -1.089 120.076 121.223 -0.097 0.000 2.376 343 L HA 0.047 4.394 4.340 0.012 0.000 0.219 343 L C 0.852 177.621 176.870 -0.167 0.000 1.133 343 L CA 0.478 55.241 54.840 -0.128 0.000 0.816 343 L CB -0.250 41.733 42.059 -0.128 0.000 0.933 343 L HN 0.367 nan 8.230 nan 0.000 0.449 344 F N 1.633 121.347 119.950 -0.394 0.000 2.404 344 F HA 0.420 4.954 4.527 0.012 0.000 0.339 344 F C -2.183 173.503 175.800 -0.190 0.000 1.105 344 F CA -2.914 54.844 58.000 -0.403 0.000 1.087 344 F CB 0.932 39.470 39.000 -0.770 0.000 1.143 344 F HN -0.275 nan 8.300 nan 0.000 0.491 345 P HA 0.177 nan 4.420 nan 0.000 0.276 345 P C -0.937 176.074 177.300 -0.481 0.000 1.261 345 P CA -0.531 61.864 63.100 -1.175 0.000 0.800 345 P CB 0.669 31.850 31.700 -0.865 0.000 1.066 346 S N 0.428 115.913 115.700 -0.358 0.000 2.593 346 S HA -0.042 4.436 4.470 0.012 0.000 0.300 346 S C 1.768 176.270 174.600 -0.164 0.000 1.267 346 S CA -0.011 58.072 58.200 -0.196 0.000 1.065 346 S CB -0.669 62.446 63.200 -0.141 0.000 0.807 346 S HN 0.300 nan 8.310 nan 0.000 0.499 347 I N 2.843 123.339 120.570 -0.123 0.000 2.248 347 I HA -0.259 3.918 4.170 0.012 0.000 0.248 347 I C 2.658 178.729 176.117 -0.076 0.000 1.107 347 I CA 1.702 62.946 61.300 -0.093 0.000 1.373 347 I CB -0.726 37.227 38.000 -0.080 0.000 1.055 347 I HN 0.795 nan 8.210 nan 0.000 0.418 348 T N -1.790 112.717 114.554 -0.078 0.000 3.113 348 T HA 0.138 4.495 4.350 0.012 0.000 0.263 348 T C 1.278 175.946 174.700 -0.053 0.000 1.143 348 T CA 0.738 62.804 62.100 -0.057 0.000 1.090 348 T CB -0.043 68.791 68.868 -0.056 0.000 0.922 348 T HN 0.375 nan 8.240 nan 0.000 0.521 349 A N 0.438 123.209 122.820 -0.081 0.000 2.508 349 A HA 0.616 4.943 4.320 0.012 0.000 0.257 349 A C 1.886 179.437 177.584 -0.055 0.000 1.226 349 A CA 0.336 52.318 52.037 -0.090 0.000 0.947 349 A CB 0.269 19.160 19.000 -0.181 0.000 1.079 349 A HN 0.572 nan 8.150 nan 0.000 0.531 350 S N -1.911 113.766 115.700 -0.039 0.000 3.884 350 S HA 0.722 5.199 4.470 0.012 0.000 0.174 350 S C 0.874 175.460 174.600 -0.022 0.000 0.872 350 S CA 0.683 58.883 58.200 0.001 0.000 1.015 350 S CB 0.197 63.388 63.200 -0.015 0.000 1.395 350 S HN 1.769 nan 8.310 nan 0.000 0.737 351 G N 0.635 109.411 108.800 -0.040 0.000 2.351 351 G HA2 0.415 4.382 3.960 0.012 0.000 0.279 351 G HA3 0.415 4.382 3.960 0.012 0.000 0.279 351 G C -2.301 172.582 174.900 -0.028 0.000 1.297 351 G CA -0.565 44.515 45.100 -0.033 0.000 0.886 351 G HN 0.678 nan 8.290 nan 0.000 0.493 352 I N 1.306 121.878 120.570 0.002 0.000 2.571 352 I HA 0.367 4.545 4.170 0.012 0.000 0.289 352 I C -2.597 173.562 176.117 0.069 0.000 1.115 352 I CA -2.002 59.311 61.300 0.021 0.000 1.045 352 I CB 2.995 41.011 38.000 0.026 0.000 1.238 352 I HN 0.189 nan 8.210 nan 0.000 0.424 353 P HA 0.093 nan 4.420 nan 0.000 0.269 353 P C 0.398 177.692 177.300 -0.009 0.000 1.215 353 P CA -0.364 62.747 63.100 0.019 0.000 0.780 353 P CB 1.027 32.743 31.700 0.026 0.000 0.898 354 K N 2.170 122.554 120.400 -0.027 0.000 2.032 354 K HA -0.221 4.106 4.320 0.012 0.000 0.209 354 K C 1.447 178.014 176.600 -0.055 0.000 1.048 354 K CA 1.741 57.998 56.287 -0.049 0.000 0.927 354 K CB -0.276 32.188 32.500 -0.059 0.000 0.712 354 K HN 0.294 nan 8.250 nan 0.000 0.441 355 N N 0.705 119.380 118.700 -0.043 0.000 2.104 355 N HA -0.159 4.589 4.740 0.012 0.000 0.190 355 N C 1.620 177.108 175.510 -0.037 0.000 1.024 355 N CA 1.504 54.530 53.050 -0.041 0.000 0.853 355 N CB -0.512 37.958 38.487 -0.029 0.000 1.008 355 N HN 0.319 nan 8.380 nan 0.000 0.424 356 A N 0.662 123.468 122.820 -0.023 0.000 1.902 356 A HA 0.022 4.349 4.320 0.012 0.000 0.217 356 A C 2.306 179.789 177.584 -0.169 0.000 1.181 356 A CA 1.947 53.970 52.037 -0.023 0.000 0.623 356 A CB -0.861 18.185 19.000 0.076 0.000 0.818 356 A HN 0.324 nan 8.150 nan 0.000 0.443 357 A N -0.416 122.281 122.820 -0.206 0.000 1.930 357 A HA 0.034 4.361 4.320 0.012 0.000 0.217 357 A C 2.152 179.642 177.584 -0.157 0.000 1.175 357 A CA 1.324 53.170 52.037 -0.319 0.000 0.627 357 A CB -0.518 18.362 19.000 -0.200 0.000 0.815 357 A HN 0.466 nan 8.150 nan 0.000 0.443 358 L N -0.330 120.854 121.223 -0.065 0.000 2.046 358 L HA -0.203 4.144 4.340 0.012 0.000 0.208 358 L C 2.446 179.336 176.870 0.035 0.000 1.077 358 L CA 1.205 56.057 54.840 0.020 0.000 0.747 358 L CB -0.634 41.387 42.059 -0.063 0.000 0.896 358 L HN 0.414 nan 8.230 nan 0.000 0.432 359 N N 0.221 118.914 118.700 -0.012 0.000 2.069 359 N HA -0.188 4.559 4.740 0.012 0.000 0.191 359 N C 1.837 177.350 175.510 0.005 0.000 1.031 359 N CA 1.712 54.770 53.050 0.013 0.000 0.852 359 N CB -0.135 38.359 38.487 0.012 0.000 1.018 359 N HN 0.330 nan 8.380 nan 0.000 0.423 360 A N 1.180 123.950 122.820 -0.083 0.000 1.902 360 A HA -0.064 4.263 4.320 0.012 0.000 0.217 360 A C 2.360 179.920 177.584 -0.039 0.000 1.181 360 A CA 0.842 52.818 52.037 -0.102 0.000 0.623 360 A CB -0.612 18.125 19.000 -0.439 0.000 0.818 360 A HN 0.223 nan 8.150 nan 0.000 0.443 361 I N -0.717 119.840 120.570 -0.022 0.000 2.208 361 I HA -0.317 3.860 4.170 0.012 0.000 0.245 361 I C 2.622 178.780 176.117 0.068 0.000 1.097 361 I CA 1.672 62.991 61.300 0.032 0.000 1.363 361 I CB -0.261 37.793 38.000 0.090 0.000 1.051 361 I HN 0.331 nan 8.210 nan 0.000 0.413 362 M N -0.524 119.148 119.600 0.119 0.000 2.374 362 M HA -0.169 4.319 4.480 0.012 0.000 0.264 362 M C 2.036 178.384 176.300 0.079 0.000 1.067 362 M CA 1.202 56.580 55.300 0.129 0.000 1.103 362 M CB -0.136 32.565 32.600 0.169 0.000 1.402 362 M HN 0.232 nan 8.290 nan 0.000 0.444 363 Q N -0.146 119.690 119.800 0.060 0.000 2.250 363 Q HA 0.139 4.486 4.340 0.012 0.000 0.200 363 Q C 1.925 177.948 176.000 0.037 0.000 0.941 363 Q CA 1.107 56.939 55.803 0.048 0.000 0.872 363 Q CB 0.194 28.963 28.738 0.052 0.000 0.965 363 Q HN 0.577 nan 8.270 nan 0.000 0.480 364 I N 0.388 120.977 120.570 0.031 0.000 2.628 364 I HA -0.047 4.130 4.170 0.012 0.000 0.255 364 I C 0.488 176.611 176.117 0.011 0.000 1.119 364 I CA 0.325 61.637 61.300 0.020 0.000 1.448 364 I CB 0.190 38.200 38.000 0.016 0.000 1.133 364 I HN 0.046 nan 8.210 nan 0.000 0.438 365 E N 1.231 121.436 120.200 0.009 0.000 2.331 365 E HA 0.076 4.433 4.350 0.012 0.000 0.272 365 E C 0.050 176.645 176.600 -0.009 0.000 1.036 365 E CA -0.001 56.395 56.400 -0.006 0.000 0.864 365 E CB 1.254 30.935 29.700 -0.031 0.000 1.035 365 E HN 0.016 nan 8.360 nan 0.000 0.408 366 K N 0.205 120.590 120.400 -0.025 0.000 2.374 366 K HA 0.062 4.390 4.320 0.012 0.000 0.202 366 K C -0.236 176.328 176.600 -0.060 0.000 1.040 366 K CA 0.165 56.434 56.287 -0.029 0.000 1.085 366 K CB 1.001 33.489 32.500 -0.021 0.000 0.873 366 K HN 0.537 nan 8.250 nan 0.000 0.539 367 T N -1.122 113.372 114.554 -0.099 0.000 2.887 367 T HA 0.569 4.927 4.350 0.012 0.000 0.288 367 T C -2.786 171.822 174.700 -0.154 0.000 1.021 367 T CA -2.466 59.537 62.100 -0.161 0.000 1.000 367 T CB 1.809 70.515 68.868 -0.271 0.000 1.034 367 T HN -0.286 nan 8.240 nan 0.000 0.467 368 P HA 0.326 nan 4.420 nan 0.000 0.268 368 P C 0.759 177.961 177.300 -0.163 0.000 1.204 368 P CA -0.543 62.507 63.100 -0.085 0.000 0.768 368 P CB 0.650 32.325 31.700 -0.040 0.000 0.842 369 R N 1.909 122.345 120.500 -0.107 0.000 2.120 369 R HA -0.156 4.191 4.340 0.012 0.000 0.234 369 R C 0.798 177.025 176.300 -0.121 0.000 1.123 369 R CA 0.967 57.002 56.100 -0.108 0.000 0.975 369 R CB -0.105 30.035 30.300 -0.267 0.000 0.866 369 R HN 0.573 nan 8.270 nan 0.000 0.446 370 E N -1.236 118.908 120.200 -0.093 0.000 3.221 370 E HA -0.328 4.029 4.350 0.012 0.000 0.410 370 E C 1.013 177.541 176.600 -0.120 0.000 1.531 370 E CA 1.864 58.135 56.400 -0.216 0.000 1.285 370 E CB -1.387 27.824 29.700 -0.816 0.000 1.542 370 E HN 0.242 nan 8.360 nan 0.000 0.482 371 L N 0.873 121.858 121.223 -0.398 0.000 2.509 371 L HA 0.127 4.474 4.340 0.012 0.000 0.222 371 L C 0.931 177.781 176.870 -0.035 0.000 1.123 371 L CA 0.682 55.482 54.840 -0.067 0.000 0.856 371 L CB -0.226 41.910 42.059 0.128 0.000 0.985 371 L HN 0.387 nan 8.230 nan 0.000 0.456 372 Y N 0.865 120.926 120.300 -0.397 0.000 2.620 372 Y HA 0.224 4.781 4.550 0.012 0.000 0.330 372 Y C 1.492 177.384 175.900 -0.013 0.000 1.186 372 Y CA 0.301 58.326 58.100 -0.124 0.000 1.467 372 Y CB 0.400 38.764 38.460 -0.160 0.000 1.262 372 Y HN 0.447 nan 8.280 nan 0.000 0.550 373 S N 1.144 116.375 115.700 -0.781 0.000 2.929 373 S HA -0.216 4.261 4.470 0.012 0.000 0.271 373 S C 0.599 175.098 174.600 -0.169 0.000 1.295 373 S CA 0.731 58.595 58.200 -0.560 0.000 1.277 373 S CB -2.427 60.406 63.200 -0.611 0.000 1.557 373 S HN 1.497 nan 8.310 nan 0.000 0.666 374 G N 1.137 109.965 108.800 0.047 0.000 2.546 374 G HA2 0.757 4.724 3.960 0.012 0.000 0.239 374 G HA3 0.757 4.724 3.960 0.012 0.000 0.239 374 G C 0.037 175.131 174.900 0.323 0.000 1.476 374 G CA -0.211 45.083 45.100 0.324 0.000 1.064 374 G HN 1.704 nan 8.290 nan 0.000 0.561 375 A N -1.299 121.774 122.820 0.422 0.000 2.435 375 A HA 0.672 4.999 4.320 0.012 0.000 0.304 375 A C -0.992 176.617 177.584 0.042 0.000 1.064 375 A CA -0.540 51.662 52.037 0.276 0.000 0.727 375 A CB 1.493 20.804 19.000 0.519 0.000 1.284 375 A HN 0.415 nan 8.150 nan 0.000 0.415 376 I N 2.037 122.572 120.570 -0.058 0.000 2.412 376 I HA 0.412 4.589 4.170 0.012 0.000 0.296 376 I C -0.503 175.539 176.117 -0.124 0.000 0.987 376 I CA -0.298 60.904 61.300 -0.163 0.000 1.180 376 I CB 1.198 39.027 38.000 -0.285 0.000 1.340 376 I HN 0.524 nan 8.210 nan 0.000 0.455 377 L N 6.220 127.272 121.223 -0.285 0.000 2.334 377 L HA 0.565 4.912 4.340 0.012 0.000 0.276 377 L C -0.810 175.650 176.870 -0.684 0.000 1.014 377 L CA -0.939 53.635 54.840 -0.444 0.000 0.815 377 L CB 2.311 44.052 42.059 -0.530 0.000 1.268 377 L HN 0.309 nan 8.230 nan 0.000 0.428 378 L N 3.693 124.416 121.223 -0.833 0.000 2.372 378 L HA 0.580 4.928 4.340 0.012 0.000 0.274 378 L C -1.314 175.126 176.870 -0.717 0.000 0.988 378 L CA -0.199 54.075 54.840 -0.942 0.000 0.833 378 L CB 1.562 42.879 42.059 -1.236 0.000 1.236 378 L HN 0.369 nan 8.230 nan 0.000 0.410 379 L N 5.345 126.164 121.223 -0.674 0.000 2.313 379 L HA 0.667 5.014 4.340 0.012 0.000 0.283 379 L C -0.408 176.215 176.870 -0.410 0.000 1.013 379 L CA -0.107 54.400 54.840 -0.556 0.000 0.816 379 L CB 1.618 43.322 42.059 -0.591 0.000 1.236 379 L HN 0.798 nan 8.230 nan 0.000 0.419 380 D N -0.608 119.610 120.400 -0.304 0.000 2.989 380 D HA 0.264 4.911 4.640 0.012 0.000 0.284 380 D C 0.239 176.456 176.300 -0.138 0.000 1.212 380 D CA -0.464 53.400 54.000 -0.227 0.000 1.055 380 D CB 0.327 40.983 40.800 -0.240 0.000 1.351 380 D HN 0.211 nan 8.370 nan 0.000 0.611 381 D N -1.024 119.317 120.400 -0.098 0.000 2.144 381 D HA -0.071 4.576 4.640 0.012 0.000 0.199 381 D C 1.711 177.986 176.300 -0.043 0.000 0.984 381 D CA 2.666 56.631 54.000 -0.059 0.000 0.834 381 D CB -0.258 40.517 40.800 -0.041 0.000 0.955 381 D HN 0.613 nan 8.370 nan 0.000 0.465 382 T N -3.330 111.198 114.554 -0.042 0.000 3.001 382 T HA 0.307 4.664 4.350 0.012 0.000 0.251 382 T C 0.881 175.567 174.700 -0.023 0.000 1.040 382 T CA -0.325 61.761 62.100 -0.023 0.000 0.985 382 T CB 1.079 69.942 68.868 -0.008 0.000 1.011 382 T HN -0.132 nan 8.240 nan 0.000 0.509 383 R N -0.186 120.286 120.500 -0.047 0.000 2.698 383 R HA 0.603 4.951 4.340 0.012 0.000 0.275 383 R C -2.317 173.953 176.300 -0.051 0.000 1.001 383 R CA -0.827 55.253 56.100 -0.034 0.000 0.896 383 R CB 1.928 32.204 30.300 -0.039 0.000 1.218 383 R HN 0.199 nan 8.270 nan 0.000 0.462 384 F N 2.038 121.872 119.950 -0.193 0.000 2.382 384 F HA 0.381 4.915 4.527 0.012 0.000 0.361 384 F C -1.067 174.596 175.800 -0.230 0.000 1.109 384 F CA -1.307 56.524 58.000 -0.281 0.000 1.031 384 F CB 1.163 39.948 39.000 -0.357 0.000 1.234 384 F HN 0.436 nan 8.300 nan 0.000 0.445 385 D N 4.376 124.815 120.400 0.065 0.000 2.391 385 D HA 0.709 5.356 4.640 0.012 0.000 0.245 385 D C -1.403 174.944 176.300 0.078 0.000 1.069 385 D CA -0.281 53.763 54.000 0.073 0.000 0.831 385 D CB 1.635 42.435 40.800 -0.001 0.000 1.204 385 D HN 0.667 nan 8.370 nan 0.000 0.503 386 A N 2.634 125.557 122.820 0.172 0.000 2.375 386 A HA 0.728 5.055 4.320 0.012 0.000 0.291 386 A C -0.682 177.020 177.584 0.198 0.000 1.160 386 A CA -0.613 51.539 52.037 0.190 0.000 0.747 386 A CB 1.155 20.358 19.000 0.338 0.000 1.170 386 A HN 0.616 nan 8.150 nan 0.000 0.458 387 A N 2.073 125.012 122.820 0.199 0.000 2.306 387 A HA 0.654 4.981 4.320 0.012 0.000 0.314 387 A C -0.257 177.406 177.584 0.132 0.000 1.164 387 A CA -0.489 51.653 52.037 0.176 0.000 0.822 387 A CB 0.484 19.617 19.000 0.221 0.000 1.130 387 A HN 1.521 nan 8.150 nan 0.000 0.496 388 L N 3.269 124.555 121.223 0.105 0.000 2.367 388 L HA 0.374 4.721 4.340 0.012 0.000 0.275 388 L C -0.165 176.756 176.870 0.085 0.000 1.129 388 L CA 0.325 55.206 54.840 0.067 0.000 0.839 388 L CB 1.075 43.143 42.059 0.015 0.000 1.133 388 L HN 0.381 nan 8.230 nan 0.000 0.453 389 V N 7.638 127.592 119.914 0.067 0.000 2.313 389 V HA 0.271 4.398 4.120 0.012 0.000 0.252 389 V C 0.400 176.563 176.094 0.116 0.000 1.112 389 V CA 0.022 62.417 62.300 0.160 0.000 0.984 389 V CB -0.556 31.380 31.823 0.188 0.000 1.157 389 V HN 0.617 nan 8.190 nan 0.000 0.493 390 L N 4.356 125.685 121.223 0.178 0.000 2.277 390 L HA 0.728 5.075 4.340 0.012 0.000 0.254 390 L C 0.263 177.276 176.870 0.239 0.000 1.044 390 L CA -1.378 53.585 54.840 0.205 0.000 0.842 390 L CB 1.771 43.902 42.059 0.120 0.000 1.422 390 L HN 0.371 nan 8.230 nan 0.000 0.422 391 R N -0.568 120.076 120.500 0.241 0.000 3.336 391 R HA -0.122 4.225 4.340 0.012 0.000 0.260 391 R C -0.897 175.450 176.300 0.079 0.000 1.032 391 R CA 0.243 56.459 56.100 0.193 0.000 0.693 391 R CB -2.707 27.736 30.300 0.239 0.000 1.134 391 R HN 0.637 nan 8.270 nan 0.000 0.433 392 S N -0.826 114.862 115.700 -0.020 0.000 2.599 392 S HA 0.699 5.177 4.470 0.012 0.000 0.294 392 S C -0.462 173.719 174.600 -0.699 0.000 1.094 392 S CA -0.562 57.425 58.200 -0.356 0.000 0.931 392 S CB 3.316 66.376 63.200 -0.233 0.000 1.093 392 S HN 0.180 nan 8.310 nan 0.000 0.488 393 V N 2.389 121.779 119.914 -0.872 0.000 2.715 393 V HA 0.822 4.950 4.120 0.012 0.000 0.310 393 V C -2.049 173.347 176.094 -1.164 0.000 1.054 393 V CA -0.633 61.133 62.300 -0.890 0.000 0.928 393 V CB 1.192 32.770 31.823 -0.408 0.000 1.007 393 V HN 0.765 nan 8.190 nan 0.000 0.437 394 F N 4.393 124.017 119.950 -0.542 0.000 2.569 394 F HA 0.718 5.252 4.527 0.012 0.000 0.312 394 F C -0.113 175.485 175.800 -0.336 0.000 1.109 394 F CA -0.554 57.088 58.000 -0.596 0.000 0.919 394 F CB 2.088 40.170 39.000 -1.530 0.000 1.211 394 F HN 0.592 nan 8.300 nan 0.000 0.446 395 Q N 1.206 121.117 119.800 0.186 0.000 2.309 395 Q HA 0.707 5.054 4.340 0.012 0.000 0.273 395 Q C -2.173 174.025 176.000 0.330 0.000 1.040 395 Q CA -0.915 55.050 55.803 0.271 0.000 0.834 395 Q CB 3.380 32.190 28.738 0.119 0.000 1.345 395 Q HN 0.675 nan 8.270 nan 0.000 0.414 396 D N 0.775 121.399 120.400 0.373 0.000 3.009 396 D HA 0.194 4.841 4.640 0.012 0.000 0.318 396 D C 0.472 176.880 176.300 0.179 0.000 1.273 396 D CA 0.030 54.175 54.000 0.242 0.000 1.001 396 D CB 0.109 41.106 40.800 0.330 0.000 1.411 396 D HN 0.461 nan 8.370 nan 0.000 0.577 397 S N -1.491 114.285 115.700 0.127 0.000 2.481 397 S HA -0.121 4.356 4.470 0.012 0.000 0.231 397 S C 1.199 175.866 174.600 0.112 0.000 0.996 397 S CA 1.064 59.320 58.200 0.093 0.000 0.942 397 S CB -0.458 62.778 63.200 0.060 0.000 0.768 397 S HN 0.524 nan 8.310 nan 0.000 0.520 398 Q N -0.046 119.849 119.800 0.159 0.000 2.471 398 Q HA 0.344 4.691 4.340 0.012 0.000 0.241 398 Q C 0.220 176.309 176.000 0.147 0.000 0.886 398 Q CA 0.165 56.048 55.803 0.133 0.000 0.953 398 Q CB 0.628 29.439 28.738 0.121 0.000 1.108 398 Q HN 0.401 nan 8.270 nan 0.000 0.575 399 R N -0.339 120.308 120.500 0.245 0.000 2.725 399 R HA 0.602 4.949 4.340 0.012 0.000 0.277 399 R C -1.464 175.119 176.300 0.471 0.000 0.987 399 R CA -0.626 55.650 56.100 0.293 0.000 0.901 399 R CB 2.131 32.537 30.300 0.176 0.000 1.207 399 R HN -0.005 nan 8.270 nan 0.000 0.463 400 C N 1.351 120.904 119.300 0.422 0.000 2.507 400 C HA 0.778 5.245 4.460 0.012 0.000 0.319 400 C C -1.110 174.211 174.990 0.551 0.000 1.208 400 C CA -0.814 58.459 59.018 0.425 0.000 1.619 400 C CB 0.219 28.084 27.740 0.208 0.000 2.230 400 C HN 1.041 nan 8.230 nan 0.000 0.492 401 W N 2.789 124.175 121.300 0.143 0.000 3.153 401 W HA 0.744 5.412 4.660 0.012 0.000 0.316 401 W C -1.651 174.952 176.519 0.140 0.000 1.255 401 W CA -1.154 56.265 57.345 0.123 0.000 1.192 401 W CB 0.135 29.660 29.460 0.108 0.000 1.400 401 W HN 0.800 nan 8.180 nan 0.000 0.568 402 I N 0.548 121.219 120.570 0.168 0.000 2.863 402 I HA 0.793 4.970 4.170 0.012 0.000 0.311 402 I C -0.880 175.362 176.117 0.208 0.000 1.026 402 I CA -1.210 60.115 61.300 0.041 0.000 1.077 402 I CB 2.108 40.107 38.000 -0.001 0.000 1.262 402 I HN 0.745 nan 8.210 nan 0.000 0.461 403 Q N 2.509 122.384 119.800 0.126 0.000 2.352 403 Q HA 0.767 5.114 4.340 0.012 0.000 0.270 403 Q C -2.099 173.819 176.000 -0.136 0.000 1.006 403 Q CA -0.647 55.126 55.803 -0.051 0.000 0.880 403 Q CB 2.444 31.070 28.738 -0.187 0.000 1.392 403 Q HN 1.076 nan 8.270 nan 0.000 0.401 404 A N 1.660 124.371 122.820 -0.181 0.000 2.572 404 A HA 0.984 5.311 4.320 0.012 0.000 0.295 404 A C -0.985 176.582 177.584 -0.028 0.000 1.072 404 A CA -0.004 52.033 52.037 0.001 0.000 0.691 404 A CB 1.951 20.978 19.000 0.046 0.000 1.291 404 A HN 0.790 nan 8.150 nan 0.000 0.404 405 G N -1.069 107.819 108.800 0.147 0.000 2.798 405 G HA2 0.912 4.879 3.960 0.012 0.000 0.286 405 G HA3 0.912 4.879 3.960 0.012 0.000 0.286 405 G C -0.826 174.182 174.900 0.181 0.000 1.389 405 G CA -0.058 45.149 45.100 0.179 0.000 0.894 405 G HN 2.022 nan 8.290 nan 0.000 0.488 406 A N -1.180 121.769 122.820 0.215 0.000 2.549 406 A HA 0.802 5.129 4.320 0.012 0.000 0.297 406 A C 0.024 177.699 177.584 0.152 0.000 1.061 406 A CA -0.008 52.139 52.037 0.183 0.000 0.690 406 A CB 1.537 20.666 19.000 0.215 0.000 1.287 406 A HN 1.820 nan 8.150 nan 0.000 0.402 407 G N 1.601 110.473 108.800 0.119 0.000 2.360 407 G HA2 0.491 4.458 3.960 0.012 0.000 0.279 407 G HA3 0.491 4.458 3.960 0.012 0.000 0.279 407 G C -0.176 174.781 174.900 0.096 0.000 1.189 407 G CA -0.099 45.057 45.100 0.094 0.000 0.941 407 G HN 0.498 nan 8.290 nan 0.000 0.445 408 I N 3.942 124.568 120.570 0.093 0.000 2.336 408 I HA 0.442 4.619 4.170 0.012 0.000 0.292 408 I C 0.572 176.744 176.117 0.092 0.000 0.991 408 I CA -0.810 60.542 61.300 0.086 0.000 1.227 408 I CB 0.844 38.892 38.000 0.079 0.000 1.366 408 I HN 0.490 nan 8.210 nan 0.000 0.466 409 I N 1.591 122.203 120.570 0.070 0.000 3.108 409 I HA 0.731 4.908 4.170 0.012 0.000 0.312 409 I C 1.299 177.436 176.117 0.034 0.000 1.095 409 I CA -0.996 60.339 61.300 0.058 0.000 1.000 409 I CB 1.948 39.980 38.000 0.052 0.000 1.229 409 I HN 0.491 nan 8.210 nan 0.000 0.454 410 A N 2.032 124.862 122.820 0.015 0.000 1.957 410 A HA -0.318 4.010 4.320 0.012 0.000 0.224 410 A C 1.929 179.517 177.584 0.007 0.000 1.287 410 A CA 2.824 54.860 52.037 -0.001 0.000 0.682 410 A CB -1.282 17.714 19.000 -0.007 0.000 0.833 410 A HN 0.906 nan 8.150 nan 0.000 0.482 411 Q N 0.527 120.337 119.800 0.016 0.000 2.472 411 Q HA 0.162 4.509 4.340 0.012 0.000 0.208 411 Q C 0.635 176.650 176.000 0.025 0.000 0.958 411 Q CA 0.443 56.257 55.803 0.019 0.000 0.932 411 Q CB -0.069 28.683 28.738 0.024 0.000 1.007 411 Q HN 0.588 nan 8.270 nan 0.000 0.508 412 S N 0.853 116.571 115.700 0.029 0.000 2.572 412 S HA 0.277 4.754 4.470 0.012 0.000 0.279 412 S C 0.255 174.871 174.600 0.026 0.000 1.341 412 S CA -0.203 58.018 58.200 0.035 0.000 1.043 412 S CB 0.678 63.904 63.200 0.043 0.000 0.887 412 S HN 0.408 nan 8.310 nan 0.000 0.516 413 T N -0.141 114.432 114.554 0.032 0.000 2.841 413 T HA 0.448 4.805 4.350 0.012 0.000 0.283 413 T C -2.516 172.204 174.700 0.033 0.000 1.000 413 T CA -2.191 59.925 62.100 0.026 0.000 0.977 413 T CB 1.643 70.528 68.868 0.027 0.000 0.979 413 T HN 0.113 nan 8.240 nan 0.000 0.446 414 P HA -0.148 nan 4.420 nan 0.000 0.217 414 P C 1.350 178.692 177.300 0.070 0.000 1.151 414 P CA 1.047 64.159 63.100 0.020 0.000 0.849 414 P CB 0.262 31.961 31.700 -0.002 0.000 0.787 415 E N -0.798 119.439 120.200 0.061 0.000 2.046 415 E HA -0.176 4.182 4.350 0.012 0.000 0.190 415 E C 2.150 178.798 176.600 0.080 0.000 0.982 415 E CA 0.973 57.415 56.400 0.070 0.000 0.800 415 E CB -0.504 29.226 29.700 0.049 0.000 0.756 415 E HN -0.175 nan 8.360 nan 0.000 0.449 416 R N 0.962 121.505 120.500 0.071 0.000 2.083 416 R HA -0.125 4.222 4.340 0.012 0.000 0.237 416 R C 1.850 178.211 176.300 0.100 0.000 1.137 416 R CA 1.856 58.000 56.100 0.074 0.000 0.951 416 R CB -0.500 29.837 30.300 0.062 0.000 0.851 416 R HN 0.151 nan 8.270 nan 0.000 0.434 417 E N 0.348 120.624 120.200 0.126 0.000 2.110 417 E HA -0.167 4.190 4.350 0.012 0.000 0.193 417 E C 1.943 178.706 176.600 0.272 0.000 0.988 417 E CA 1.081 57.597 56.400 0.194 0.000 0.804 417 E CB -0.517 29.298 29.700 0.192 0.000 0.745 417 E HN 0.304 nan 8.360 nan 0.000 0.458 418 L N 1.208 122.591 121.223 0.268 0.000 2.027 418 L HA -0.106 4.241 4.340 0.012 0.000 0.206 418 L C 2.136 179.048 176.870 0.069 0.000 1.074 418 L CA 1.885 56.841 54.840 0.193 0.000 0.745 418 L CB -0.914 41.273 42.059 0.213 0.000 0.898 418 L HN -0.005 nan 8.230 nan 0.000 0.433 419 T N -0.656 113.944 114.554 0.077 0.000 2.759 419 T HA -0.247 4.110 4.350 0.012 0.000 0.269 419 T C 1.727 176.458 174.700 0.052 0.000 1.042 419 T CA 1.702 63.834 62.100 0.053 0.000 1.140 419 T CB -0.208 68.693 68.868 0.055 0.000 0.864 419 T HN 0.536 nan 8.240 nan 0.000 0.455 420 E N 0.715 120.958 120.200 0.073 0.000 2.072 420 E HA -0.164 4.193 4.350 0.012 0.000 0.191 420 E C 2.402 179.040 176.600 0.063 0.000 0.985 420 E CA 1.620 58.068 56.400 0.080 0.000 0.801 420 E CB -0.153 29.611 29.700 0.106 0.000 0.750 420 E HN 0.643 nan 8.360 nan 0.000 0.452 421 T N -1.065 113.503 114.554 0.023 0.000 2.759 421 T HA -0.173 4.185 4.350 0.012 0.000 0.269 421 T C 1.863 176.544 174.700 -0.032 0.000 1.042 421 T CA 1.240 63.312 62.100 -0.047 0.000 1.140 421 T CB -0.368 68.348 68.868 -0.254 0.000 0.864 421 T HN 0.158 nan 8.240 nan 0.000 0.455 422 R N 1.133 121.620 120.500 -0.023 0.000 2.092 422 R HA 0.016 4.364 4.340 0.012 0.000 0.231 422 R C 2.728 179.040 176.300 0.019 0.000 1.119 422 R CA 1.595 57.690 56.100 -0.008 0.000 0.970 422 R CB -0.258 30.037 30.300 -0.008 0.000 0.864 422 R HN 0.625 nan 8.270 nan 0.000 0.440 423 E N 0.960 121.182 120.200 0.037 0.000 2.077 423 E HA -0.190 4.167 4.350 0.012 0.000 0.193 423 E C 1.870 178.512 176.600 0.071 0.000 0.989 423 E CA 1.272 57.703 56.400 0.051 0.000 0.800 423 E CB 0.027 29.762 29.700 0.057 0.000 0.746 423 E HN 0.302 nan 8.360 nan 0.000 0.452 424 K N 0.586 121.040 120.400 0.089 0.000 2.057 424 K HA -0.063 4.265 4.320 0.012 0.000 0.206 424 K C 2.182 178.848 176.600 0.110 0.000 1.050 424 K CA 0.797 57.160 56.287 0.127 0.000 0.935 424 K CB -0.086 32.502 32.500 0.146 0.000 0.715 424 K HN 0.072 nan 8.250 nan 0.000 0.439 425 L N 0.679 121.944 121.223 0.070 0.000 2.191 425 L HA -0.141 4.206 4.340 0.012 0.000 0.212 425 L C 2.376 179.282 176.870 0.061 0.000 1.103 425 L CA 0.777 55.650 54.840 0.055 0.000 0.769 425 L CB -0.480 41.587 42.059 0.013 0.000 0.908 425 L HN 0.197 nan 8.230 nan 0.000 0.438 426 A N -1.227 121.627 122.820 0.057 0.000 2.172 426 A HA -0.162 4.166 4.320 0.012 0.000 0.216 426 A C 2.486 180.156 177.584 0.142 0.000 1.154 426 A CA 1.492 53.560 52.037 0.053 0.000 0.701 426 A CB -0.409 18.612 19.000 0.036 0.000 0.789 426 A HN 0.344 nan 8.150 nan 0.000 0.465 427 S N -1.152 114.647 115.700 0.164 0.000 2.402 427 S HA -0.022 4.455 4.470 0.012 0.000 0.229 427 S C 1.621 176.402 174.600 0.302 0.000 1.021 427 S CA 1.509 59.834 58.200 0.208 0.000 0.974 427 S CB -0.217 63.091 63.200 0.180 0.000 0.800 427 S HN 0.626 nan 8.310 nan 0.000 0.484 428 I N -0.707 120.025 120.570 0.271 0.000 4.197 428 I HA 0.341 4.518 4.170 0.012 0.000 0.307 428 I C 2.068 178.301 176.117 0.194 0.000 1.236 428 I CA 0.716 62.202 61.300 0.310 0.000 1.321 428 I CB -0.199 37.929 38.000 0.213 0.000 1.309 428 I HN 0.244 nan 8.210 nan 0.000 0.450 429 A N 2.112 124.968 122.820 0.059 0.000 1.908 429 A HA -0.054 4.273 4.320 0.012 0.000 0.218 429 A C -0.385 177.106 177.584 -0.155 0.000 1.181 429 A CA 1.729 53.746 52.037 -0.033 0.000 0.627 429 A CB -2.018 16.962 19.000 -0.034 0.000 0.818 429 A HN 0.363 nan 8.150 nan 0.000 0.445 430 P HA -0.089 nan 4.420 nan 0.000 0.228 430 P C -0.063 176.823 177.300 -0.690 0.000 1.151 430 P CA 0.984 63.693 63.100 -0.653 0.000 0.770 430 P CB -0.100 30.937 31.700 -1.106 0.000 0.786 431 Y N -2.357 117.947 120.300 0.007 0.000 2.557 431 Y HA 0.270 4.828 4.550 0.012 0.000 0.247 431 Y C 0.738 176.636 175.900 -0.004 0.000 1.164 431 Y CA -0.676 57.437 58.100 0.023 0.000 1.218 431 Y CB -0.422 38.076 38.460 0.063 0.000 1.210 431 Y HN -0.209 nan 8.280 nan 0.000 0.529 432 L N 2.653 123.898 121.223 0.037 0.000 2.418 432 L HA 0.205 4.553 4.340 0.012 0.000 0.274 432 L C -0.137 176.699 176.870 -0.056 0.000 1.135 432 L CA 0.288 55.127 54.840 -0.002 0.000 0.870 432 L CB 0.217 42.262 42.059 -0.024 0.000 1.154 432 L HN 0.100 nan 8.230 nan 0.000 0.462 433 M N 4.409 123.968 119.600 -0.068 0.000 2.528 433 M HA 0.579 5.066 4.480 0.012 0.000 0.321 433 M C -0.164 176.084 176.300 -0.087 0.000 1.153 433 M CA -0.686 54.542 55.300 -0.120 0.000 0.951 433 M CB 2.106 34.589 32.600 -0.194 0.000 1.705 433 M HN 0.371 nan 8.290 nan 0.000 0.451 434 V N 0.000 119.862 119.914 -0.087 0.000 2.409 434 V HA 0.000 4.127 4.120 0.012 0.000 0.244 434 V CA 0.000 62.263 62.300 -0.061 0.000 1.235 434 V CB 0.000 31.795 31.823 -0.046 0.000 1.184 434 V HN 0.000 nan 8.190 nan 0.000 0.556