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 1ipj_1_A DATA FIRST_RESID 9 DATA SEQUENCE NNPFYLRSSN SFQTLFENQN GRIRLLQRFN KRSPQLENLR DYRIVQFQSK DATA SEQUENCE PNTILLPHHA DADFLLFVLS GRAILTLVNN DDRDSYNLHP GDAQRIPAGT DATA SEQUENCE TYYLVNPHDH QNLKIIKLAI PVNKPGRYDD FFLSSTQAQQ SYLQGFSHNI DATA SEQUENCE LETSFHSEFE EINRVLLGXX XXXXQQEGVI VELSXXXXXX XXXXAKSSSR DATA SEQUENCE KTISSEDEPF NLRSRNPIYS NNFGKFFEIT PEKNPQLRDL DIFLSSVDIN DATA SEQUENCE EGALLLPHFN SKAIVILVIN EGDANIELVG IKXXXXXXXX XXXXLEVQRY DATA SEQUENCE RAELSEDDVF VIPAAYPFVV NATSNLNFLA FGINAENNQR NFLAGEKDNV DATA SEQUENCE VRQIERQVQE LAFPGSAQDV ERLLKKQRES YFVDA 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.550 175.510 0.066 0.000 1.280 9 N CA 0.000 53.094 53.050 0.073 0.000 0.885 9 N CB 0.000 38.510 38.487 0.038 0.000 1.341 10 N N 2.621 121.393 118.700 0.120 0.000 2.386 10 N HA 0.021 4.760 4.740 -0.000 0.000 0.273 10 N C -1.188 174.278 175.510 -0.074 0.000 1.331 10 N CA -1.183 51.935 53.050 0.113 0.000 0.891 10 N CB 0.844 39.470 38.487 0.232 0.000 1.139 10 N HN 0.307 nan 8.380 nan 0.000 0.487 11 P HA -0.097 nan 4.420 nan 0.000 0.225 11 P C 0.374 177.228 177.300 -0.744 0.000 1.148 11 P CA 1.109 63.851 63.100 -0.597 0.000 0.779 11 P CB -0.034 31.173 31.700 -0.821 0.000 0.780 12 F N -2.230 117.502 119.950 -0.363 0.000 2.693 12 F HA 0.212 4.739 4.527 -0.000 0.000 0.303 12 F C 1.036 176.468 175.800 -0.614 0.000 1.097 12 F CA -0.615 57.025 58.000 -0.599 0.000 1.330 12 F CB -0.653 37.786 39.000 -0.934 0.000 1.067 12 F HN -0.135 nan 8.300 nan 0.000 0.565 13 Y N 1.410 121.553 120.300 -0.262 0.000 2.328 13 Y HA 0.567 5.117 4.550 -0.000 0.000 0.337 13 Y C -0.922 174.972 175.900 -0.010 0.000 0.966 13 Y CA -1.216 56.862 58.100 -0.037 0.000 1.136 13 Y CB 0.799 39.343 38.460 0.141 0.000 1.170 13 Y HN -0.248 nan 8.280 nan 0.000 0.470 14 L N 8.039 128.992 121.223 -0.451 0.000 2.387 14 L HA 0.360 4.700 4.340 -0.000 0.000 0.259 14 L C -0.012 176.496 176.870 -0.603 0.000 1.050 14 L CA -0.309 54.266 54.840 -0.441 0.000 0.922 14 L CB 0.626 42.549 42.059 -0.226 0.000 1.280 14 L HN 0.692 nan 8.230 nan 0.000 0.449 15 R N 0.884 120.886 120.500 -0.830 0.000 2.458 15 R HA 0.029 4.369 4.340 -0.000 0.000 0.303 15 R C 1.422 177.645 176.300 -0.129 0.000 1.013 15 R CA 0.633 56.445 56.100 -0.480 0.000 1.026 15 R CB 0.886 31.051 30.300 -0.226 0.000 0.948 15 R HN 0.736 nan 8.270 nan 0.000 0.417 16 S N 3.035 118.761 115.700 0.042 0.000 2.369 16 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 16 S C 1.750 176.468 174.600 0.197 0.000 1.043 16 S CA 1.790 60.148 58.200 0.263 0.000 1.074 16 S CB -0.447 62.929 63.200 0.295 0.000 0.962 16 S HN 0.738 nan 8.310 nan 0.000 0.433 17 S N 3.071 118.842 115.700 0.118 0.000 2.408 17 S HA -0.180 4.290 4.470 -0.000 0.000 0.241 17 S C 1.255 175.895 174.600 0.068 0.000 1.080 17 S CA 1.788 60.040 58.200 0.087 0.000 1.109 17 S CB -0.644 62.601 63.200 0.075 0.000 0.966 17 S HN 0.757 nan 8.310 nan 0.000 0.449 18 N N -0.664 118.059 118.700 0.038 0.000 2.351 18 N HA 0.287 5.027 4.740 -0.000 0.000 0.254 18 N C -0.048 175.442 175.510 -0.034 0.000 1.241 18 N CA 0.062 53.117 53.050 0.009 0.000 0.883 18 N CB 1.165 39.653 38.487 0.003 0.000 1.202 18 N HN 0.129 nan 8.380 nan 0.000 0.512 19 S N -0.352 115.324 115.700 -0.040 0.000 2.604 19 S HA 0.334 4.804 4.470 -0.000 0.000 0.235 19 S C -0.044 174.397 174.600 -0.264 0.000 1.043 19 S CA -0.291 57.800 58.200 -0.182 0.000 0.997 19 S CB 0.500 63.520 63.200 -0.299 0.000 0.956 19 S HN 0.118 nan 8.310 nan 0.000 0.535 20 F N 2.171 122.087 119.950 -0.057 0.000 2.432 20 F HA 0.555 5.082 4.527 -0.000 0.000 0.329 20 F C 0.345 176.117 175.800 -0.047 0.000 1.076 20 F CA -0.600 57.371 58.000 -0.048 0.000 1.018 20 F CB 1.096 40.081 39.000 -0.024 0.000 1.201 20 F HN -0.092 nan 8.300 nan 0.000 0.489 21 Q N 2.213 122.117 119.800 0.173 0.000 2.309 21 Q HA 0.256 4.596 4.340 -0.000 0.000 0.270 21 Q C -1.175 174.860 176.000 0.058 0.000 1.023 21 Q CA -0.546 55.295 55.803 0.064 0.000 0.758 21 Q CB 1.794 30.525 28.738 -0.011 0.000 1.247 21 Q HN 0.707 nan 8.270 nan 0.000 0.455 22 T N 5.079 119.649 114.554 0.028 0.000 2.902 22 T HA 0.086 4.436 4.350 -0.000 0.000 0.301 22 T C 1.362 176.022 174.700 -0.066 0.000 1.012 22 T CA 0.285 62.385 62.100 0.001 0.000 1.151 22 T CB 0.391 69.254 68.868 -0.007 0.000 0.946 22 T HN 0.572 nan 8.240 nan 0.000 0.542 23 L N 1.891 123.065 121.223 -0.081 0.000 2.262 23 L HA 0.374 4.714 4.340 -0.000 0.000 0.197 23 L C 0.030 176.578 176.870 -0.536 0.000 1.073 23 L CA 0.925 55.589 54.840 -0.294 0.000 0.800 23 L CB 0.160 42.112 42.059 -0.179 0.000 0.987 23 L HN 0.550 nan 8.230 nan 0.000 0.470 24 F N -1.069 118.903 119.950 0.036 0.000 2.645 24 F HA 0.425 4.952 4.527 -0.000 0.000 0.310 24 F C -0.642 175.155 175.800 -0.005 0.000 1.102 24 F CA -0.787 57.212 58.000 -0.001 0.000 0.952 24 F CB 2.222 41.214 39.000 -0.014 0.000 1.326 24 F HN -0.099 nan 8.300 nan 0.000 0.456 25 E N 1.328 121.636 120.200 0.180 0.000 2.584 25 E HA 0.437 4.787 4.350 -0.000 0.000 0.295 25 E C -2.211 174.410 176.600 0.035 0.000 1.109 25 E CA -0.705 55.741 56.400 0.076 0.000 0.900 25 E CB 1.736 31.460 29.700 0.040 0.000 1.195 25 E HN 0.797 nan 8.360 nan 0.000 0.433 26 N N 1.217 119.921 118.700 0.006 0.000 3.667 26 N HA 0.147 4.887 4.740 -0.000 0.000 0.347 26 N C 0.268 175.766 175.510 -0.019 0.000 1.550 26 N CA -0.669 52.376 53.050 -0.009 0.000 0.731 26 N CB 0.310 38.786 38.487 -0.019 0.000 2.741 26 N HN 0.397 nan 8.380 nan 0.000 0.555 27 Q N -0.515 119.272 119.800 -0.022 0.000 2.123 27 Q HA 0.081 4.421 4.340 -0.000 0.000 0.199 27 Q C 0.416 176.400 176.000 -0.027 0.000 0.966 27 Q CA 1.153 56.943 55.803 -0.023 0.000 0.845 27 Q CB -0.296 28.430 28.738 -0.020 0.000 0.907 27 Q HN 0.492 nan 8.270 nan 0.000 0.439 28 N N -0.076 118.606 118.700 -0.029 0.000 2.463 28 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 28 N C 0.735 176.211 175.510 -0.056 0.000 1.078 28 N CA 0.953 53.984 53.050 -0.032 0.000 0.902 28 N CB 1.121 39.596 38.487 -0.021 0.000 0.970 28 N HN 0.193 nan 8.380 nan 0.000 0.451 29 G N 0.205 108.967 108.800 -0.064 0.000 2.337 29 G HA2 0.250 4.210 3.960 -0.000 0.000 0.298 29 G HA3 0.250 4.210 3.960 -0.000 0.000 0.298 29 G C -1.817 173.037 174.900 -0.077 0.000 1.335 29 G CA -0.908 44.121 45.100 -0.118 0.000 0.875 29 G HN 0.226 nan 8.290 nan 0.000 0.579 30 R N -0.656 119.778 120.500 -0.110 0.000 2.707 30 R HA 0.714 5.054 4.340 -0.000 0.000 0.272 30 R C -1.878 174.424 176.300 0.005 0.000 1.011 30 R CA -0.941 55.147 56.100 -0.021 0.000 0.893 30 R CB 1.381 31.663 30.300 -0.030 0.000 1.233 30 R HN 0.635 nan 8.270 nan 0.000 0.464 31 I N 2.843 123.490 120.570 0.128 0.000 2.410 31 I HA 0.472 4.642 4.170 -0.000 0.000 0.286 31 I C -0.044 176.153 176.117 0.133 0.000 1.009 31 I CA -0.852 60.573 61.300 0.208 0.000 1.111 31 I CB 1.867 40.091 38.000 0.373 0.000 1.262 31 I HN 0.404 nan 8.210 nan 0.000 0.443 32 R N 5.335 125.892 120.500 0.095 0.000 2.589 32 R HA 0.689 5.029 4.340 -0.000 0.000 0.293 32 R C -1.244 175.226 176.300 0.283 0.000 0.963 32 R CA -1.007 55.159 56.100 0.110 0.000 0.905 32 R CB 2.616 32.862 30.300 -0.090 0.000 1.144 32 R HN 0.394 nan 8.270 nan 0.000 0.459 33 L N 3.741 125.151 121.223 0.312 0.000 2.319 33 L HA 0.358 4.698 4.340 -0.000 0.000 0.281 33 L C -1.030 175.929 176.870 0.149 0.000 1.005 33 L CA -0.805 54.190 54.840 0.258 0.000 0.828 33 L CB 1.421 43.533 42.059 0.090 0.000 1.227 33 L HN 0.527 nan 8.230 nan 0.000 0.415 34 L N 4.770 125.944 121.223 -0.083 0.000 2.456 34 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 34 L C 0.454 177.060 176.870 -0.439 0.000 1.189 34 L CA 0.431 54.842 54.840 -0.714 0.000 0.846 34 L CB 0.679 42.168 42.059 -0.950 0.000 1.111 34 L HN 0.834 nan 8.230 nan 0.000 0.475 35 Q N 4.353 123.900 119.800 -0.422 0.000 2.479 35 Q HA 0.071 4.411 4.340 -0.000 0.000 0.267 35 Q C -0.347 175.445 176.000 -0.345 0.000 1.071 35 Q CA -0.354 55.270 55.803 -0.298 0.000 0.935 35 Q CB 0.287 28.884 28.738 -0.234 0.000 1.295 35 Q HN 0.594 nan 8.270 nan 0.000 0.476 36 R N 0.888 121.250 120.500 -0.231 0.000 2.537 36 R HA -0.058 4.282 4.340 -0.000 0.000 0.281 36 R C 0.542 176.751 176.300 -0.152 0.000 0.988 36 R CA 0.286 56.275 56.100 -0.185 0.000 1.077 36 R CB 0.193 30.441 30.300 -0.087 0.000 0.932 36 R HN 0.688 nan 8.270 nan 0.000 0.409 37 F N 1.943 121.858 119.950 -0.059 0.000 2.171 37 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 37 F C 2.019 177.773 175.800 -0.078 0.000 1.090 37 F CA 1.887 59.844 58.000 -0.071 0.000 1.293 37 F CB -0.018 38.961 39.000 -0.035 0.000 1.013 37 F HN 0.716 nan 8.300 nan 0.000 0.486 38 N N -0.638 118.140 118.700 0.129 0.000 2.415 38 N HA -0.075 4.665 4.740 -0.000 0.000 0.176 38 N C 1.382 176.890 175.510 -0.004 0.000 1.042 38 N CA 0.278 53.355 53.050 0.044 0.000 0.902 38 N CB -0.141 38.370 38.487 0.040 0.000 0.986 38 N HN -0.094 nan 8.380 nan 0.000 0.447 39 K N 0.740 121.129 120.400 -0.019 0.000 2.283 39 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 39 K C 1.969 178.535 176.600 -0.057 0.000 1.048 39 K CA 0.565 56.826 56.287 -0.043 0.000 0.948 39 K CB -0.050 32.414 32.500 -0.061 0.000 0.742 39 K HN 0.232 nan 8.250 nan 0.000 0.458 40 R N -0.193 120.272 120.500 -0.058 0.000 2.052 40 R HA 0.089 4.429 4.340 -0.000 0.000 0.224 40 R C 0.010 176.253 176.300 -0.094 0.000 1.165 40 R CA 1.348 57.400 56.100 -0.080 0.000 0.939 40 R CB -0.178 30.075 30.300 -0.078 0.000 0.834 40 R HN 0.021 nan 8.270 nan 0.000 0.435 41 S N -0.922 114.717 115.700 -0.102 0.000 2.619 41 S HA 0.434 4.904 4.470 -0.000 0.000 0.280 41 S C -2.407 172.134 174.600 -0.098 0.000 1.150 41 S CA -1.645 56.475 58.200 -0.134 0.000 0.978 41 S CB 2.043 65.092 63.200 -0.252 0.000 1.041 41 S HN 0.108 nan 8.310 nan 0.000 0.485 42 P HA -0.150 nan 4.420 nan 0.000 0.220 42 P C 1.319 178.594 177.300 -0.041 0.000 1.144 42 P CA 1.096 64.171 63.100 -0.042 0.000 0.800 42 P CB 0.079 31.760 31.700 -0.032 0.000 0.772 43 Q N -0.727 119.030 119.800 -0.073 0.000 2.181 43 Q HA -0.114 4.226 4.340 -0.000 0.000 0.205 43 Q C 1.402 177.382 176.000 -0.033 0.000 0.980 43 Q CA 1.065 56.839 55.803 -0.049 0.000 0.862 43 Q CB -0.530 28.145 28.738 -0.105 0.000 0.905 43 Q HN 0.406 nan 8.270 nan 0.000 0.429 44 L N 0.753 121.943 121.223 -0.055 0.000 2.688 44 L HA 0.085 4.425 4.340 -0.000 0.000 0.234 44 L C 1.878 178.743 176.870 -0.009 0.000 1.192 44 L CA -0.131 54.680 54.840 -0.048 0.000 0.984 44 L CB -0.186 41.837 42.059 -0.060 0.000 1.232 44 L HN 0.124 nan 8.230 nan 0.000 0.465 45 E N 1.205 121.404 120.200 -0.002 0.000 2.171 45 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 45 E C 1.079 177.695 176.600 0.027 0.000 0.997 45 E CA 1.241 57.649 56.400 0.014 0.000 0.810 45 E CB 0.215 29.920 29.700 0.009 0.000 0.738 45 E HN 0.537 nan 8.360 nan 0.000 0.467 46 N N -0.270 118.441 118.700 0.017 0.000 2.521 46 N HA 0.020 4.759 4.740 -0.000 0.000 0.188 46 N C 0.779 176.327 175.510 0.063 0.000 1.146 46 N CA 0.320 53.389 53.050 0.032 0.000 0.893 46 N CB 0.263 38.758 38.487 0.015 0.000 0.975 46 N HN 0.181 nan 8.380 nan 0.000 0.451 47 L N 0.189 121.444 121.223 0.054 0.000 2.857 47 L HA 0.223 4.563 4.340 -0.000 0.000 0.249 47 L C 1.688 178.711 176.870 0.255 0.000 1.172 47 L CA -0.078 54.827 54.840 0.109 0.000 0.980 47 L CB 0.225 42.172 42.059 -0.187 0.000 1.299 47 L HN 0.168 nan 8.230 nan 0.000 0.535 48 R N -0.912 119.684 120.500 0.160 0.000 2.105 48 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 48 R C 0.947 177.306 176.300 0.099 0.000 1.135 48 R CA 1.657 57.832 56.100 0.126 0.000 0.967 48 R CB -0.382 29.952 30.300 0.058 0.000 0.861 48 R HN 0.176 nan 8.270 nan 0.000 0.442 49 D N -0.085 120.333 120.400 0.030 0.000 2.312 49 D HA -0.037 4.603 4.640 -0.000 0.000 0.211 49 D C -0.104 176.054 176.300 -0.235 0.000 0.964 49 D CA 0.885 54.789 54.000 -0.160 0.000 0.877 49 D CB 0.003 40.593 40.800 -0.350 0.000 0.924 49 D HN 0.231 nan 8.370 nan 0.000 0.515 50 Y N 0.174 120.544 120.300 0.116 0.000 2.376 50 Y HA 0.436 4.986 4.550 -0.000 0.000 0.325 50 Y C 0.999 176.997 175.900 0.164 0.000 1.199 50 Y CA -0.572 57.613 58.100 0.142 0.000 1.206 50 Y CB 1.075 39.635 38.460 0.167 0.000 1.229 50 Y HN -0.425 nan 8.280 nan 0.000 0.480 51 R N 2.383 123.036 120.500 0.254 0.000 2.673 51 R HA 0.477 4.817 4.340 -0.000 0.000 0.281 51 R C -1.602 174.776 176.300 0.130 0.000 0.991 51 R CA -0.778 55.390 56.100 0.113 0.000 0.896 51 R CB 2.315 32.733 30.300 0.197 0.000 1.201 51 R HN 0.637 nan 8.270 nan 0.000 0.457 52 I N 3.625 124.216 120.570 0.035 0.000 2.371 52 I HA 0.234 4.404 4.170 -0.000 0.000 0.282 52 I C 0.114 176.376 176.117 0.241 0.000 1.031 52 I CA -0.652 60.727 61.300 0.132 0.000 1.180 52 I CB 1.501 39.577 38.000 0.126 0.000 1.336 52 I HN 0.159 nan 8.210 nan 0.000 0.467 53 V N 6.324 126.414 119.914 0.294 0.000 2.644 53 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 53 V C 0.182 176.461 176.094 0.309 0.000 1.053 53 V CA -0.686 61.816 62.300 0.336 0.000 0.987 53 V CB 1.835 33.871 31.823 0.355 0.000 1.006 53 V HN 0.636 nan 8.190 nan 0.000 0.472 54 Q N 2.419 122.379 119.800 0.266 0.000 2.320 54 Q HA 0.425 4.765 4.340 -0.000 0.000 0.268 54 Q C -1.812 174.295 176.000 0.178 0.000 1.023 54 Q CA -0.492 55.405 55.803 0.157 0.000 0.744 54 Q CB 2.053 30.738 28.738 -0.088 0.000 1.246 54 Q HN 0.716 nan 8.270 nan 0.000 0.462 55 F N 2.898 122.883 119.950 0.058 0.000 2.420 55 F HA 0.430 4.957 4.527 -0.000 0.000 0.342 55 F C -0.697 175.122 175.800 0.031 0.000 1.113 55 F CA -0.270 57.762 58.000 0.054 0.000 1.059 55 F CB 1.415 40.455 39.000 0.067 0.000 1.128 55 F HN 0.441 nan 8.300 nan 0.000 0.475 56 Q N 4.187 123.459 119.800 -0.879 0.000 2.271 56 Q HA 0.563 4.903 4.340 -0.000 0.000 0.268 56 Q C -1.723 173.790 176.000 -0.810 0.000 1.021 56 Q CA -0.545 54.845 55.803 -0.688 0.000 0.802 56 Q CB 1.804 30.355 28.738 -0.312 0.000 1.282 56 Q HN 0.802 nan 8.270 nan 0.000 0.431 57 S N 2.252 117.576 115.700 -0.625 0.000 2.588 57 S HA 0.675 5.145 4.470 -0.000 0.000 0.275 57 S C -0.929 173.584 174.600 -0.145 0.000 1.130 57 S CA -1.053 56.943 58.200 -0.340 0.000 0.855 57 S CB 1.935 65.001 63.200 -0.223 0.000 1.116 57 S HN 0.551 nan 8.310 nan 0.000 0.472 58 K N 0.964 121.319 120.400 -0.075 0.000 2.109 58 K HA 0.527 4.847 4.320 -0.000 0.000 0.243 58 K C -2.600 174.003 176.600 0.005 0.000 1.006 58 K CA -2.408 53.861 56.287 -0.030 0.000 0.917 58 K CB 0.304 32.790 32.500 -0.023 0.000 1.081 58 K HN 0.450 nan 8.250 nan 0.000 0.468 59 P HA -0.164 nan 4.420 nan 0.000 0.264 59 P C -0.924 176.389 177.300 0.023 0.000 1.179 59 P CA 0.428 63.550 63.100 0.037 0.000 0.763 59 P CB 0.163 31.888 31.700 0.042 0.000 0.806 60 N N -0.519 118.196 118.700 0.024 0.000 2.641 60 N HA -0.120 4.620 4.740 -0.000 0.000 0.267 60 N C -0.193 175.328 175.510 0.018 0.000 1.087 60 N CA 1.383 54.441 53.050 0.013 0.000 0.731 60 N CB -1.491 36.993 38.487 -0.005 0.000 0.886 60 N HN 0.684 nan 8.380 nan 0.000 0.547 61 T N -2.265 112.312 114.554 0.038 0.000 2.816 61 T HA 0.824 5.174 4.350 -0.000 0.000 0.299 61 T C -0.138 174.603 174.700 0.070 0.000 1.230 61 T CA -0.890 61.235 62.100 0.042 0.000 1.007 61 T CB 2.945 71.841 68.868 0.047 0.000 1.289 61 T HN 0.232 nan 8.240 nan 0.000 0.508 62 I N 0.351 120.959 120.570 0.063 0.000 2.752 62 I HA 0.500 4.670 4.170 -0.000 0.000 0.295 62 I C -1.573 174.592 176.117 0.079 0.000 1.219 62 I CA -1.426 59.921 61.300 0.078 0.000 1.030 62 I CB 2.046 40.057 38.000 0.019 0.000 1.259 62 I HN 0.736 nan 8.210 nan 0.000 0.423 63 L N 7.820 129.110 121.223 0.111 0.000 2.282 63 L HA 0.313 4.653 4.340 -0.000 0.000 0.287 63 L C -0.643 176.279 176.870 0.087 0.000 1.075 63 L CA -0.889 53.995 54.840 0.075 0.000 0.839 63 L CB 0.733 42.791 42.059 -0.001 0.000 1.219 63 L HN 0.541 nan 8.230 nan 0.000 0.434 64 L N 7.092 128.355 121.223 0.067 0.000 2.581 64 L HA -0.061 4.279 4.340 -0.000 0.000 0.299 64 L C -1.795 175.223 176.870 0.247 0.000 1.261 64 L CA -0.712 54.194 54.840 0.109 0.000 0.866 64 L CB -0.783 41.313 42.059 0.061 0.000 1.113 64 L HN 0.444 nan 8.230 nan 0.000 0.514 65 P HA 0.089 nan 4.420 nan 0.000 0.261 65 P C -1.178 176.286 177.300 0.273 0.000 1.173 65 P CA 0.549 63.818 63.100 0.281 0.000 0.760 65 P CB 0.169 32.036 31.700 0.279 0.000 0.783 66 H N -0.657 118.338 119.070 -0.124 0.000 3.024 66 H HA 0.586 5.142 4.556 -0.000 0.000 0.324 66 H C -1.273 173.976 175.328 -0.131 0.000 1.347 66 H CA -0.956 54.935 56.048 -0.261 0.000 1.182 66 H CB 1.170 30.320 29.762 -1.021 0.000 1.889 66 H HN 0.573 nan 8.280 nan 0.000 0.528 67 H N 1.676 120.604 119.070 -0.236 0.000 2.894 67 H HA 0.895 5.451 4.556 -0.000 0.000 0.368 67 H C -1.664 173.683 175.328 0.031 0.000 1.181 67 H CA -0.800 55.154 56.048 -0.155 0.000 1.146 67 H CB 2.158 31.859 29.762 -0.102 0.000 1.839 67 H HN 0.941 nan 8.280 nan 0.000 0.557 68 A N 1.466 124.429 122.820 0.237 0.000 2.527 68 A HA 0.314 4.634 4.320 -0.000 0.000 0.293 68 A C -1.189 176.488 177.584 0.156 0.000 1.117 68 A CA -0.495 51.688 52.037 0.245 0.000 0.723 68 A CB 1.548 20.718 19.000 0.284 0.000 1.313 68 A HN 0.825 nan 8.150 nan 0.000 0.411 69 D N 0.126 120.612 120.400 0.143 0.000 2.638 69 D HA 0.561 5.201 4.640 -0.000 0.000 0.245 69 D C -0.326 175.913 176.300 -0.101 0.000 1.176 69 D CA 0.261 54.281 54.000 0.033 0.000 0.996 69 D CB 0.323 41.181 40.800 0.096 0.000 1.012 69 D HN 1.173 nan 8.370 nan 0.000 0.515 70 A N 1.294 123.927 122.820 -0.312 0.000 2.596 70 A HA 0.364 4.684 4.320 -0.000 0.000 0.305 70 A C -1.334 175.816 177.584 -0.723 0.000 1.032 70 A CA -1.053 50.677 52.037 -0.511 0.000 0.776 70 A CB 0.526 19.089 19.000 -0.727 0.000 1.253 70 A HN 0.146 nan 8.150 nan 0.000 0.402 71 D N 0.325 120.430 120.400 -0.491 0.000 2.400 71 D HA 0.543 5.183 4.640 -0.000 0.000 0.238 71 D C -0.597 175.387 176.300 -0.527 0.000 1.157 71 D CA 1.475 55.244 54.000 -0.385 0.000 0.889 71 D CB 0.274 40.958 40.800 -0.194 0.000 1.199 71 D HN 0.353 nan 8.370 nan 0.000 0.436 72 F N 0.622 120.495 119.950 -0.127 0.000 2.540 72 F HA 0.427 4.954 4.527 -0.000 0.000 0.317 72 F C -0.508 175.246 175.800 -0.076 0.000 1.104 72 F CA -1.196 56.729 58.000 -0.124 0.000 0.913 72 F CB 1.469 40.371 39.000 -0.163 0.000 1.170 72 F HN 0.059 nan 8.300 nan 0.000 0.450 73 L N 6.089 127.425 121.223 0.188 0.000 2.417 73 L HA 0.502 4.842 4.340 -0.000 0.000 0.259 73 L C -1.147 175.830 176.870 0.177 0.000 1.023 73 L CA -0.640 54.288 54.840 0.148 0.000 0.901 73 L CB 0.537 42.674 42.059 0.130 0.000 1.227 73 L HN 0.478 nan 8.230 nan 0.000 0.454 74 L N 1.439 122.732 121.223 0.117 0.000 2.375 74 L HA 0.677 5.017 4.340 -0.000 0.000 0.271 74 L C -0.845 176.142 176.870 0.194 0.000 1.107 74 L CA -0.134 54.784 54.840 0.129 0.000 0.806 74 L CB 0.927 42.975 42.059 -0.019 0.000 1.146 74 L HN 0.486 nan 8.230 nan 0.000 0.447 75 F N 2.582 122.583 119.950 0.086 0.000 2.716 75 F HA 0.558 5.085 4.527 -0.000 0.000 0.354 75 F C -0.672 175.140 175.800 0.021 0.000 1.168 75 F CA -0.858 57.159 58.000 0.029 0.000 1.045 75 F CB 1.295 40.336 39.000 0.068 0.000 1.311 75 F HN 0.365 nan 8.300 nan 0.000 0.477 76 V N 8.094 127.784 119.914 -0.373 0.000 2.452 76 V HA -0.107 4.013 4.120 -0.000 0.000 0.286 76 V C 1.288 177.162 176.094 -0.367 0.000 0.995 76 V CA 0.738 62.877 62.300 -0.268 0.000 1.116 76 V CB 0.415 32.084 31.823 -0.255 0.000 0.954 76 V HN 0.911 nan 8.190 nan 0.000 0.473 77 L N 3.862 125.064 121.223 -0.034 0.000 2.179 77 L HA 0.112 4.452 4.340 -0.000 0.000 0.208 77 L C 1.040 177.910 176.870 -0.001 0.000 1.096 77 L CA 1.233 56.123 54.840 0.084 0.000 0.779 77 L CB 0.266 42.436 42.059 0.186 0.000 0.922 77 L HN 0.843 nan 8.230 nan 0.000 0.443 78 S N -1.604 114.079 115.700 -0.028 0.000 2.597 78 S HA 0.559 5.028 4.470 -0.000 0.000 0.274 78 S C -0.461 174.110 174.600 -0.049 0.000 1.132 78 S CA -0.126 58.049 58.200 -0.041 0.000 0.835 78 S CB 1.090 64.276 63.200 -0.022 0.000 1.092 78 S HN 0.532 nan 8.310 nan 0.000 0.457 79 G N 2.365 111.120 108.800 -0.075 0.000 2.795 79 G HA2 0.007 3.967 3.960 -0.000 0.000 0.664 79 G HA3 0.007 3.967 3.960 -0.000 0.000 0.664 79 G C -0.854 174.019 174.900 -0.046 0.000 1.381 79 G CA -0.297 44.741 45.100 -0.102 0.000 0.853 79 G HN 0.814 nan 8.290 nan 0.000 0.545 80 R N -0.371 120.119 120.500 -0.017 0.000 2.797 80 R HA 0.873 5.213 4.340 -0.000 0.000 0.251 80 R C 0.159 176.472 176.300 0.021 0.000 1.107 80 R CA 0.013 56.130 56.100 0.028 0.000 1.084 80 R CB 1.669 32.040 30.300 0.119 0.000 1.205 80 R HN 2.001 nan 8.270 nan 0.000 0.515 81 A N 1.050 123.859 122.820 -0.017 0.000 2.583 81 A HA 0.465 4.785 4.320 -0.000 0.000 0.292 81 A C -1.623 175.957 177.584 -0.006 0.000 1.045 81 A CA -0.640 51.408 52.037 0.018 0.000 0.672 81 A CB 1.041 20.066 19.000 0.042 0.000 1.283 81 A HN 0.568 nan 8.150 nan 0.000 0.419 82 I N 1.638 122.232 120.570 0.039 0.000 2.420 82 I HA 0.355 4.525 4.170 -0.000 0.000 0.282 82 I C -0.739 175.419 176.117 0.067 0.000 1.019 82 I CA -0.571 60.753 61.300 0.039 0.000 1.130 82 I CB 1.480 39.511 38.000 0.052 0.000 1.262 82 I HN 0.622 nan 8.210 nan 0.000 0.454 83 L N 6.828 128.085 121.223 0.057 0.000 2.312 83 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 83 L C -0.358 176.518 176.870 0.009 0.000 1.070 83 L CA 0.667 55.545 54.840 0.064 0.000 0.805 83 L CB 1.424 43.515 42.059 0.053 0.000 1.174 83 L HN 0.450 nan 8.230 nan 0.000 0.434 84 T N 6.455 120.953 114.554 -0.093 0.000 2.965 84 T HA 0.508 4.858 4.350 -0.000 0.000 0.306 84 T C -0.618 173.899 174.700 -0.304 0.000 0.991 84 T CA -0.274 61.644 62.100 -0.303 0.000 1.001 84 T CB 0.533 69.043 68.868 -0.596 0.000 0.984 84 T HN 0.437 nan 8.240 nan 0.000 0.446 85 L N 3.771 124.912 121.223 -0.137 0.000 2.275 85 L HA 0.706 5.046 4.340 -0.000 0.000 0.288 85 L C 0.325 177.143 176.870 -0.087 0.000 1.046 85 L CA -1.073 53.736 54.840 -0.052 0.000 0.805 85 L CB 1.163 43.236 42.059 0.023 0.000 1.193 85 L HN 0.436 nan 8.230 nan 0.000 0.426 86 V N 0.552 120.430 119.914 -0.061 0.000 2.370 86 V HA 0.542 4.662 4.120 -0.000 0.000 0.283 86 V C -0.214 175.880 176.094 -0.000 0.000 1.023 86 V CA -0.504 61.779 62.300 -0.028 0.000 0.857 86 V CB 1.078 32.910 31.823 0.015 0.000 0.985 86 V HN 0.836 nan 8.190 nan 0.000 0.443 87 N N 3.567 122.265 118.700 -0.003 0.000 2.478 87 N HA 0.328 5.068 4.740 -0.000 0.000 0.275 87 N C 1.035 176.546 175.510 0.002 0.000 1.221 87 N CA -0.237 52.810 53.050 -0.005 0.000 0.979 87 N CB 0.605 39.088 38.487 -0.007 0.000 1.202 87 N HN 0.882 nan 8.380 nan 0.000 0.564 88 N N -0.191 118.505 118.700 -0.007 0.000 2.550 88 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 88 N C -0.492 175.017 175.510 -0.001 0.000 1.110 88 N CA 0.737 53.785 53.050 -0.003 0.000 0.912 88 N CB -0.022 38.456 38.487 -0.016 0.000 0.968 88 N HN 0.606 nan 8.380 nan 0.000 0.448 89 D N -1.623 118.776 120.400 -0.002 0.000 2.530 89 D HA 0.159 4.799 4.640 -0.000 0.000 0.253 89 D C -0.585 175.715 176.300 -0.001 0.000 1.338 89 D CA -0.284 53.715 54.000 -0.002 0.000 0.806 89 D CB 0.120 40.917 40.800 -0.006 0.000 1.160 89 D HN 0.103 nan 8.370 nan 0.000 0.514 90 D N 0.196 120.596 120.400 -0.000 0.000 2.768 90 D HA 0.542 5.182 4.640 -0.000 0.000 0.327 90 D C -1.566 174.730 176.300 -0.007 0.000 1.302 90 D CA -0.514 53.483 54.000 -0.004 0.000 0.897 90 D CB 1.846 42.642 40.800 -0.006 0.000 1.420 90 D HN 0.006 nan 8.370 nan 0.000 0.494 91 R N 1.247 121.733 120.500 -0.023 0.000 2.764 91 R HA 0.363 4.703 4.340 -0.000 0.000 0.250 91 R C -2.097 174.149 176.300 -0.090 0.000 1.122 91 R CA -0.537 55.536 56.100 -0.045 0.000 1.022 91 R CB 1.089 31.378 30.300 -0.018 0.000 1.266 91 R HN 0.463 nan 8.270 nan 0.000 0.454 92 D N 1.759 122.065 120.400 -0.157 0.000 2.671 92 D HA 0.392 5.032 4.640 -0.000 0.000 0.232 92 D C -0.938 175.057 176.300 -0.507 0.000 1.114 92 D CA -0.563 53.256 54.000 -0.303 0.000 0.858 92 D CB 2.569 43.193 40.800 -0.294 0.000 1.544 92 D HN 0.363 nan 8.370 nan 0.000 0.471 93 S N 0.330 115.666 115.700 -0.607 0.000 2.607 93 S HA 0.708 5.178 4.470 -0.000 0.000 0.303 93 S C -1.270 172.839 174.600 -0.819 0.000 1.086 93 S CA -0.551 57.320 58.200 -0.548 0.000 0.995 93 S CB 1.090 64.154 63.200 -0.227 0.000 1.084 93 S HN 0.304 nan 8.310 nan 0.000 0.507 94 Y N 0.460 120.730 120.300 -0.049 0.000 2.588 94 Y HA 0.448 4.998 4.550 -0.000 0.000 0.343 94 Y C 0.103 175.952 175.900 -0.086 0.000 1.065 94 Y CA -1.061 57.002 58.100 -0.061 0.000 1.038 94 Y CB 1.328 39.745 38.460 -0.072 0.000 1.297 94 Y HN 0.509 nan 8.280 nan 0.000 0.467 95 N N 2.498 121.222 118.700 0.041 0.000 2.626 95 N HA 0.345 5.085 4.740 -0.000 0.000 0.242 95 N C -1.625 173.695 175.510 -0.317 0.000 1.005 95 N CA -0.163 52.807 53.050 -0.133 0.000 0.905 95 N CB 0.572 38.971 38.487 -0.147 0.000 1.128 95 N HN 0.602 nan 8.380 nan 0.000 0.512 96 L N 4.160 125.238 121.223 -0.242 0.000 2.360 96 L HA 0.235 4.575 4.340 -0.000 0.000 0.276 96 L C 0.564 177.227 176.870 -0.345 0.000 1.121 96 L CA -0.101 54.583 54.840 -0.261 0.000 0.845 96 L CB 0.301 42.270 42.059 -0.151 0.000 1.143 96 L HN 0.333 nan 8.230 nan 0.000 0.452 97 H N 2.714 121.726 119.070 -0.097 0.000 2.676 97 H HA 0.413 4.969 4.556 -0.000 0.000 0.352 97 H C -2.255 172.968 175.328 -0.175 0.000 1.193 97 H CA -2.454 53.532 56.048 -0.104 0.000 1.243 97 H CB 1.446 31.156 29.762 -0.087 0.000 1.751 97 H HN 0.290 nan 8.280 nan 0.000 0.567 98 P HA 0.071 nan 4.420 nan 0.000 0.267 98 P C 0.864 178.015 177.300 -0.249 0.000 1.205 98 P CA 1.175 64.180 63.100 -0.157 0.000 0.765 98 P CB 0.428 32.068 31.700 -0.100 0.000 0.828 99 G N 1.877 110.376 108.800 -0.501 0.000 2.232 99 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.226 99 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.226 99 G C 0.081 174.610 174.900 -0.618 0.000 0.996 99 G CA -0.338 44.433 45.100 -0.549 0.000 0.626 99 G HN 0.493 nan 8.290 nan 0.000 0.509 100 D N 1.320 121.407 120.400 -0.522 0.000 2.362 100 D HA 0.672 5.312 4.640 -0.000 0.000 0.242 100 D C 0.587 176.555 176.300 -0.553 0.000 1.132 100 D CA 1.220 54.957 54.000 -0.438 0.000 0.907 100 D CB 1.442 42.064 40.800 -0.296 0.000 1.195 100 D HN 0.924 nan 8.370 nan 0.000 0.429 101 A N 1.374 123.840 122.820 -0.591 0.000 2.566 101 A HA 0.703 5.023 4.320 -0.000 0.000 0.292 101 A C -0.934 176.286 177.584 -0.606 0.000 1.112 101 A CA -0.528 51.203 52.037 -0.511 0.000 0.707 101 A CB 2.170 20.885 19.000 -0.475 0.000 1.302 101 A HN 0.485 nan 8.150 nan 0.000 0.409 102 Q N -0.282 119.346 119.800 -0.286 0.000 2.702 102 Q HA 0.459 4.799 4.340 -0.000 0.000 0.289 102 Q C -1.604 174.382 176.000 -0.024 0.000 0.923 102 Q CA -0.709 55.000 55.803 -0.157 0.000 0.787 102 Q CB 1.585 30.188 28.738 -0.224 0.000 1.476 102 Q HN 0.882 nan 8.270 nan 0.000 0.402 103 R N 2.288 122.795 120.500 0.012 0.000 2.637 103 R HA 0.611 4.951 4.340 -0.000 0.000 0.291 103 R C -1.228 175.058 176.300 -0.023 0.000 0.963 103 R CA -0.436 55.683 56.100 0.031 0.000 0.901 103 R CB 1.004 31.347 30.300 0.072 0.000 1.160 103 R HN 0.646 nan 8.270 nan 0.000 0.457 104 I N 5.447 126.014 120.570 -0.006 0.000 2.428 104 I HA 0.315 4.485 4.170 -0.000 0.000 0.279 104 I C -2.189 173.915 176.117 -0.021 0.000 1.040 104 I CA -2.561 58.714 61.300 -0.042 0.000 1.171 104 I CB 1.646 39.578 38.000 -0.114 0.000 1.312 104 I HN 0.380 nan 8.210 nan 0.000 0.470 105 P HA -0.093 nan 4.420 nan 0.000 0.264 105 P C 0.082 177.334 177.300 -0.080 0.000 1.173 105 P CA 0.103 63.169 63.100 -0.057 0.000 0.761 105 P CB 0.535 32.208 31.700 -0.044 0.000 0.794 106 A N 3.567 126.317 122.820 -0.117 0.000 2.566 106 A HA 0.380 4.700 4.320 -0.000 0.000 0.245 106 A C 1.544 179.064 177.584 -0.107 0.000 1.056 106 A CA 0.811 52.765 52.037 -0.139 0.000 0.757 106 A CB -1.338 17.574 19.000 -0.147 0.000 0.979 106 A HN 0.917 nan 8.150 nan 0.000 0.508 107 G N 2.164 110.913 108.800 -0.086 0.000 2.141 107 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.242 107 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.242 107 G C 0.295 175.091 174.900 -0.173 0.000 0.982 107 G CA 0.369 45.369 45.100 -0.167 0.000 0.662 107 G HN 1.191 nan 8.290 nan 0.000 0.527 108 T N 2.526 117.054 114.554 -0.044 0.000 2.727 108 T HA 0.509 4.859 4.350 -0.000 0.000 0.298 108 T C 0.719 175.477 174.700 0.097 0.000 0.942 108 T CA 0.432 62.530 62.100 -0.003 0.000 0.997 108 T CB 0.999 69.868 68.868 0.002 0.000 0.917 108 T HN 0.306 nan 8.240 nan 0.000 0.487 109 T N 4.962 119.552 114.554 0.059 0.000 2.930 109 T HA 0.388 4.738 4.350 -0.000 0.000 0.306 109 T C -0.434 174.343 174.700 0.129 0.000 1.045 109 T CA -0.060 62.099 62.100 0.099 0.000 1.134 109 T CB -0.149 68.781 68.868 0.103 0.000 0.961 109 T HN 0.694 nan 8.240 nan 0.000 0.545 110 Y N 0.293 120.539 120.300 -0.090 0.000 2.662 110 Y HA 0.554 5.104 4.550 -0.000 0.000 0.334 110 Y C -1.924 173.981 175.900 0.009 0.000 1.185 110 Y CA -2.092 55.912 58.100 -0.161 0.000 1.074 110 Y CB 0.788 39.142 38.460 -0.176 0.000 1.330 110 Y HN 0.728 nan 8.280 nan 0.000 0.458 111 Y N 1.593 121.911 120.300 0.029 0.000 2.576 111 Y HA 0.887 5.437 4.550 -0.000 0.000 0.346 111 Y C -2.027 173.947 175.900 0.123 0.000 1.018 111 Y CA -1.660 56.426 58.100 -0.023 0.000 1.050 111 Y CB 1.731 40.201 38.460 0.017 0.000 1.280 111 Y HN 0.734 nan 8.280 nan 0.000 0.474 112 L N 2.128 123.517 121.223 0.277 0.000 2.385 112 L HA 0.768 5.108 4.340 -0.000 0.000 0.273 112 L C -1.250 175.741 176.870 0.202 0.000 0.990 112 L CA -0.810 54.155 54.840 0.208 0.000 0.821 112 L CB 2.160 44.274 42.059 0.091 0.000 1.279 112 L HN 0.716 nan 8.230 nan 0.000 0.412 113 V N 3.454 123.476 119.914 0.180 0.000 2.604 113 V HA 0.511 4.631 4.120 -0.000 0.000 0.305 113 V C -0.689 175.479 176.094 0.124 0.000 1.043 113 V CA -0.799 61.587 62.300 0.144 0.000 0.888 113 V CB 2.133 34.030 31.823 0.124 0.000 0.995 113 V HN 0.777 nan 8.190 nan 0.000 0.429 114 N N 6.307 125.077 118.700 0.117 0.000 2.707 114 N HA 0.388 5.128 4.740 -0.000 0.000 0.235 114 N C -1.567 173.993 175.510 0.082 0.000 1.028 114 N CA -2.165 50.949 53.050 0.107 0.000 0.906 114 N CB 1.782 40.338 38.487 0.115 0.000 1.131 114 N HN 0.284 nan 8.380 nan 0.000 0.509 115 P HA -0.055 nan 4.420 nan 0.000 0.234 115 P C 0.016 177.326 177.300 0.016 0.000 1.167 115 P CA 0.499 63.621 63.100 0.038 0.000 0.763 115 P CB 0.102 31.820 31.700 0.030 0.000 0.835 116 H N 0.217 119.271 119.070 -0.028 0.000 2.757 116 H HA 0.049 4.605 4.556 -0.000 0.000 0.370 116 H C 0.984 176.237 175.328 -0.125 0.000 1.172 116 H CA 0.801 56.809 56.048 -0.067 0.000 1.426 116 H CB 0.683 30.422 29.762 -0.040 0.000 1.438 116 H HN -0.221 nan 8.280 nan 0.000 0.612 117 D N 0.139 120.300 120.400 -0.399 0.000 2.262 117 D HA 0.000 4.640 4.640 -0.000 0.000 0.212 117 D C 0.709 176.828 176.300 -0.301 0.000 0.964 117 D CA 1.174 54.907 54.000 -0.445 0.000 0.875 117 D CB 0.342 40.654 40.800 -0.814 0.000 0.996 117 D HN 0.703 nan 8.370 nan 0.000 0.497 118 H N -1.644 117.569 119.070 0.238 0.000 3.233 118 H HA 0.371 4.927 4.556 -0.000 0.000 0.263 118 H C 0.068 175.485 175.328 0.149 0.000 1.168 118 H CA -0.316 55.833 56.048 0.169 0.000 1.159 118 H CB 0.645 30.478 29.762 0.118 0.000 1.593 118 H HN -0.101 nan 8.280 nan 0.000 0.580 119 Q N 1.624 121.577 119.800 0.255 0.000 2.271 119 Q HA 0.231 4.571 4.340 -0.000 0.000 0.258 119 Q C -0.496 175.486 176.000 -0.031 0.000 0.936 119 Q CA -0.753 55.019 55.803 -0.052 0.000 0.909 119 Q CB 1.148 29.557 28.738 -0.548 0.000 1.253 119 Q HN 0.335 nan 8.270 nan 0.000 0.440 120 N N 2.069 120.750 118.700 -0.032 0.000 2.513 120 N HA 0.194 4.934 4.740 -0.000 0.000 0.274 120 N C -1.040 174.443 175.510 -0.044 0.000 1.189 120 N CA -0.200 52.831 53.050 -0.032 0.000 0.975 120 N CB 0.887 39.351 38.487 -0.039 0.000 1.157 120 N HN 0.365 nan 8.380 nan 0.000 0.465 121 L N 1.764 122.966 121.223 -0.035 0.000 2.282 121 L HA 0.356 4.696 4.340 -0.000 0.000 0.288 121 L C -0.199 176.654 176.870 -0.027 0.000 1.033 121 L CA -0.118 54.720 54.840 -0.003 0.000 0.807 121 L CB 0.599 42.704 42.059 0.077 0.000 1.209 121 L HN 0.392 nan 8.230 nan 0.000 0.423 122 K N 5.619 126.025 120.400 0.011 0.000 2.535 122 K HA 0.575 4.895 4.320 -0.000 0.000 0.253 122 K C -1.427 175.238 176.600 0.107 0.000 0.953 122 K CA -0.366 55.936 56.287 0.025 0.000 0.863 122 K CB 0.918 33.426 32.500 0.013 0.000 1.111 122 K HN 0.664 nan 8.250 nan 0.000 0.431 123 I N 4.664 125.352 120.570 0.196 0.000 2.530 123 I HA 0.444 4.614 4.170 -0.000 0.000 0.297 123 I C -0.575 175.696 176.117 0.256 0.000 1.011 123 I CA -0.955 60.488 61.300 0.239 0.000 1.107 123 I CB 1.718 39.899 38.000 0.302 0.000 1.285 123 I HN 0.540 nan 8.210 nan 0.000 0.436 124 I N 5.527 126.267 120.570 0.283 0.000 2.498 124 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 124 I C -1.345 174.976 176.117 0.340 0.000 1.032 124 I CA -0.708 60.785 61.300 0.322 0.000 1.073 124 I CB 1.930 40.153 38.000 0.371 0.000 1.251 124 I HN 0.565 nan 8.210 nan 0.000 0.426 125 K N 6.379 126.938 120.400 0.265 0.000 2.501 125 K HA 0.487 4.807 4.320 -0.000 0.000 0.252 125 K C -1.272 175.400 176.600 0.120 0.000 0.934 125 K CA -0.782 55.621 56.287 0.194 0.000 0.797 125 K CB 2.518 35.075 32.500 0.095 0.000 1.270 125 K HN 0.288 nan 8.250 nan 0.000 0.431 126 L N 2.348 123.517 121.223 -0.090 0.000 2.278 126 L HA 0.550 4.890 4.340 -0.000 0.000 0.287 126 L C -0.676 176.222 176.870 0.046 0.000 1.072 126 L CA 0.020 54.753 54.840 -0.179 0.000 0.819 126 L CB 0.560 42.243 42.059 -0.626 0.000 1.176 126 L HN 0.887 nan 8.230 nan 0.000 0.435 127 A N 6.252 129.131 122.820 0.099 0.000 2.309 127 A HA 0.694 5.014 4.320 -0.000 0.000 0.298 127 A C -0.336 177.176 177.584 -0.120 0.000 1.165 127 A CA -0.386 51.602 52.037 -0.081 0.000 0.821 127 A CB 0.196 19.129 19.000 -0.112 0.000 1.102 127 A HN 0.728 nan 8.150 nan 0.000 0.500 128 I N 3.976 124.381 120.570 -0.275 0.000 2.668 128 I HA 0.242 4.412 4.170 -0.000 0.000 0.276 128 I C -2.434 173.520 176.117 -0.273 0.000 1.139 128 I CA -1.733 59.402 61.300 -0.275 0.000 1.133 128 I CB 1.552 39.407 38.000 -0.242 0.000 1.327 128 I HN 0.373 nan 8.210 nan 0.000 0.520 129 P HA -0.003 nan 4.420 nan 0.000 0.266 129 P C 0.830 178.064 177.300 -0.110 0.000 1.193 129 P CA 0.106 63.140 63.100 -0.110 0.000 0.770 129 P CB 1.061 32.779 31.700 0.030 0.000 0.836 130 V N 1.359 121.224 119.914 -0.083 0.000 2.949 130 V HA -0.021 4.099 4.120 -0.000 0.000 0.245 130 V C 1.692 177.763 176.094 -0.040 0.000 1.086 130 V CA 1.257 63.514 62.300 -0.071 0.000 1.097 130 V CB -0.645 31.133 31.823 -0.075 0.000 0.762 130 V HN 0.485 nan 8.190 nan 0.000 0.470 131 N N 1.451 120.143 118.700 -0.012 0.000 2.272 131 N HA 0.049 4.789 4.740 -0.000 0.000 0.195 131 N C 0.540 176.050 175.510 -0.000 0.000 1.048 131 N CA 0.730 53.781 53.050 0.001 0.000 0.912 131 N CB -0.016 38.487 38.487 0.027 0.000 1.096 131 N HN 0.500 nan 8.380 nan 0.000 0.471 132 K N 2.444 122.851 120.400 0.011 0.000 2.185 132 K HA 0.398 4.718 4.320 -0.000 0.000 0.269 132 K C -2.583 174.014 176.600 -0.004 0.000 0.987 132 K CA -1.807 54.481 56.287 0.003 0.000 0.865 132 K CB 0.976 33.481 32.500 0.007 0.000 1.090 132 K HN 0.077 nan 8.250 nan 0.000 0.450 133 P HA -0.110 nan 4.420 nan 0.000 0.258 133 P C 0.738 178.030 177.300 -0.014 0.000 1.172 133 P CA 1.041 64.126 63.100 -0.026 0.000 0.762 133 P CB 0.462 32.148 31.700 -0.024 0.000 0.764 134 G N 2.767 111.558 108.800 -0.016 0.000 2.228 134 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.270 134 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.270 134 G C 0.419 175.336 174.900 0.028 0.000 0.976 134 G CA 0.065 45.173 45.100 0.013 0.000 0.636 134 G HN 0.726 nan 8.290 nan 0.000 0.542 135 R N 0.165 120.677 120.500 0.021 0.000 2.388 135 R HA 0.581 4.921 4.340 -0.000 0.000 0.314 135 R C -0.244 176.081 176.300 0.041 0.000 0.959 135 R CA -0.695 55.396 56.100 -0.015 0.000 0.851 135 R CB 0.706 30.983 30.300 -0.039 0.000 1.168 135 R HN 0.492 nan 8.270 nan 0.000 0.472 136 Y N 0.837 121.134 120.300 -0.005 0.000 2.686 136 Y HA 0.652 5.202 4.550 -0.000 0.000 0.330 136 Y C -0.974 174.953 175.900 0.046 0.000 1.082 136 Y CA -0.977 57.132 58.100 0.015 0.000 1.158 136 Y CB 1.613 40.066 38.460 -0.012 0.000 1.333 136 Y HN 0.297 nan 8.280 nan 0.000 0.519 137 D N -0.203 120.377 120.400 0.299 0.000 2.559 137 D HA 0.272 4.912 4.640 -0.000 0.000 0.250 137 D C -1.633 174.894 176.300 0.379 0.000 1.135 137 D CA -0.471 53.621 54.000 0.154 0.000 0.955 137 D CB 2.372 43.183 40.800 0.018 0.000 1.442 137 D HN 0.598 nan 8.370 nan 0.000 0.471 138 D N 0.109 120.635 120.400 0.210 0.000 2.252 138 D HA 0.412 5.052 4.640 -0.000 0.000 0.245 138 D C -0.908 175.370 176.300 -0.036 0.000 1.009 138 D CA -0.248 53.891 54.000 0.232 0.000 0.870 138 D CB 1.766 42.766 40.800 0.333 0.000 1.251 138 D HN 0.126 nan 8.370 nan 0.000 0.460 139 F N 1.680 121.489 119.950 -0.235 0.000 2.513 139 F HA 0.322 4.849 4.527 -0.000 0.000 0.358 139 F C -0.277 175.449 175.800 -0.122 0.000 1.118 139 F CA -0.711 57.120 58.000 -0.281 0.000 1.037 139 F CB 0.689 39.143 39.000 -0.911 0.000 1.276 139 F HN 0.156 nan 8.300 nan 0.000 0.446 140 F N 4.413 124.536 119.950 0.289 0.000 2.424 140 F HA 0.219 4.746 4.527 -0.000 0.000 0.356 140 F C 1.231 177.229 175.800 0.330 0.000 1.110 140 F CA -0.142 58.015 58.000 0.261 0.000 1.161 140 F CB 1.169 40.191 39.000 0.037 0.000 1.115 140 F HN 0.460 nan 8.300 nan 0.000 0.507 141 L N 2.464 123.976 121.223 0.482 0.000 2.131 141 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 141 L C 1.412 178.301 176.870 0.032 0.000 1.087 141 L CA 0.454 55.376 54.840 0.136 0.000 0.767 141 L CB -0.179 42.024 42.059 0.239 0.000 0.917 141 L HN 0.689 nan 8.230 nan 0.000 0.441 142 S N -0.718 115.063 115.700 0.135 0.000 2.566 142 S HA -0.043 4.427 4.470 -0.000 0.000 0.280 142 S C 0.246 174.833 174.600 -0.023 0.000 1.343 142 S CA -0.339 57.881 58.200 0.034 0.000 1.036 142 S CB 1.137 64.355 63.200 0.029 0.000 0.866 142 S HN 0.231 nan 8.310 nan 0.000 0.526 143 S N 1.740 117.402 115.700 -0.064 0.000 2.520 143 S HA 0.556 5.026 4.470 -0.000 0.000 0.324 143 S C -0.443 174.103 174.600 -0.091 0.000 1.069 143 S CA -0.536 57.619 58.200 -0.075 0.000 1.121 143 S CB 0.214 63.365 63.200 -0.081 0.000 0.971 143 S HN 0.836 nan 8.310 nan 0.000 0.463 144 T N 3.187 117.673 114.554 -0.114 0.000 2.926 144 T HA 0.322 4.672 4.350 -0.000 0.000 0.289 144 T C 0.969 175.605 174.700 -0.106 0.000 1.054 144 T CA -0.629 61.390 62.100 -0.135 0.000 1.015 144 T CB 1.566 70.300 68.868 -0.223 0.000 1.167 144 T HN 0.520 nan 8.240 nan 0.000 0.526 145 Q N 0.110 119.853 119.800 -0.095 0.000 2.472 145 Q HA 0.101 4.441 4.340 -0.000 0.000 0.208 145 Q C 1.656 177.619 176.000 -0.062 0.000 0.958 145 Q CA 0.470 56.233 55.803 -0.065 0.000 0.932 145 Q CB 0.058 28.763 28.738 -0.054 0.000 1.007 145 Q HN 0.644 nan 8.270 nan 0.000 0.508 146 A N 0.570 123.331 122.820 -0.098 0.000 2.197 146 A HA 0.017 4.337 4.320 -0.000 0.000 0.210 146 A C 0.683 178.241 177.584 -0.044 0.000 1.180 146 A CA 0.155 52.151 52.037 -0.069 0.000 0.846 146 A CB 0.515 19.448 19.000 -0.113 0.000 0.884 146 A HN 0.253 nan 8.150 nan 0.000 0.487 147 Q N -0.173 119.566 119.800 -0.102 0.000 2.522 147 Q HA 0.368 4.708 4.340 -0.000 0.000 0.285 147 Q C -2.031 173.947 176.000 -0.037 0.000 0.982 147 Q CA -0.537 55.237 55.803 -0.047 0.000 0.805 147 Q CB 0.460 29.126 28.738 -0.120 0.000 1.457 147 Q HN 0.331 nan 8.270 nan 0.000 0.394 148 Q N 0.952 120.759 119.800 0.012 0.000 2.241 148 Q HA 0.446 4.786 4.340 -0.000 0.000 0.254 148 Q C -0.396 175.628 176.000 0.041 0.000 0.917 148 Q CA -0.479 55.331 55.803 0.012 0.000 0.919 148 Q CB 1.963 30.713 28.738 0.020 0.000 1.237 148 Q HN 0.714 nan 8.270 nan 0.000 0.434 149 S N 1.329 117.030 115.700 0.002 0.000 2.562 149 S HA -0.014 4.456 4.470 -0.000 0.000 0.281 149 S C 0.693 175.284 174.600 -0.014 0.000 1.333 149 S CA -0.298 57.885 58.200 -0.029 0.000 1.052 149 S CB 0.312 63.431 63.200 -0.134 0.000 0.884 149 S HN 0.644 nan 8.310 nan 0.000 0.506 150 Y N 3.363 123.725 120.300 0.104 0.000 2.716 150 Y HA 0.117 4.667 4.550 -0.000 0.000 0.302 150 Y C 1.220 177.092 175.900 -0.047 0.000 1.160 150 Y CA 0.419 58.560 58.100 0.069 0.000 1.362 150 Y CB -0.778 37.821 38.460 0.232 0.000 0.988 150 Y HN 0.527 nan 8.280 nan 0.000 0.546 151 L N 0.127 121.239 121.223 -0.185 0.000 2.240 151 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 151 L C 2.575 179.451 176.870 0.010 0.000 1.106 151 L CA 0.995 55.820 54.840 -0.025 0.000 0.793 151 L CB -0.508 41.538 42.059 -0.022 0.000 0.927 151 L HN 0.249 nan 8.230 nan 0.000 0.446 152 Q N 0.109 119.895 119.800 -0.022 0.000 2.437 152 Q HA -0.115 4.225 4.340 -0.000 0.000 0.210 152 Q C 2.049 178.061 176.000 0.020 0.000 0.972 152 Q CA 0.891 56.708 55.803 0.024 0.000 0.903 152 Q CB -0.027 28.723 28.738 0.019 0.000 0.967 152 Q HN 0.582 nan 8.270 nan 0.000 0.486 153 G N -0.528 108.216 108.800 -0.092 0.000 2.572 153 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 153 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 153 G C 0.200 175.066 174.900 -0.056 0.000 1.133 153 G CA -0.264 44.766 45.100 -0.118 0.000 0.791 153 G HN 0.147 nan 8.290 nan 0.000 0.538 154 F N 1.883 121.928 119.950 0.158 0.000 2.389 154 F HA 0.312 4.839 4.527 -0.000 0.000 0.337 154 F C 1.265 177.165 175.800 0.166 0.000 1.112 154 F CA -1.008 57.087 58.000 0.158 0.000 1.192 154 F CB 1.166 40.268 39.000 0.170 0.000 1.185 154 F HN -0.030 nan 8.300 nan 0.000 0.552 155 S N 1.897 117.833 115.700 0.393 0.000 2.549 155 S HA 0.024 4.494 4.470 -0.000 0.000 0.283 155 S C 0.987 175.785 174.600 0.330 0.000 1.320 155 S CA -0.652 57.731 58.200 0.306 0.000 1.058 155 S CB 0.304 63.634 63.200 0.217 0.000 0.882 155 S HN 0.695 nan 8.310 nan 0.000 0.498 156 H N 3.195 122.353 119.070 0.147 0.000 2.292 156 H HA -0.178 4.378 4.556 -0.000 0.000 0.292 156 H C 1.857 177.310 175.328 0.208 0.000 1.100 156 H CA 2.262 58.410 56.048 0.167 0.000 1.238 156 H CB -0.336 29.299 29.762 -0.212 0.000 1.355 156 H HN 0.719 nan 8.280 nan 0.000 0.484 157 N N 0.716 119.567 118.700 0.253 0.000 2.192 157 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 157 N C 2.034 177.633 175.510 0.149 0.000 1.013 157 N CA 1.171 54.321 53.050 0.166 0.000 0.863 157 N CB -0.136 38.414 38.487 0.106 0.000 0.990 157 N HN 0.387 nan 8.380 nan 0.000 0.430 158 I N 0.743 121.404 120.570 0.152 0.000 2.480 158 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 158 I C 2.095 178.272 176.117 0.100 0.000 1.124 158 I CA 0.423 61.773 61.300 0.084 0.000 1.444 158 I CB 0.026 38.043 38.000 0.028 0.000 1.098 158 I HN -0.006 nan 8.210 nan 0.000 0.428 159 L N 0.337 121.681 121.223 0.201 0.000 2.141 159 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 159 L C 2.354 179.380 176.870 0.260 0.000 1.094 159 L CA 1.472 56.471 54.840 0.266 0.000 0.763 159 L CB -0.385 41.844 42.059 0.283 0.000 0.908 159 L HN 0.208 nan 8.230 nan 0.000 0.437 160 E N -0.871 119.463 120.200 0.224 0.000 2.072 160 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 160 E C 2.080 178.772 176.600 0.152 0.000 0.985 160 E CA 1.716 58.224 56.400 0.180 0.000 0.801 160 E CB -0.064 29.739 29.700 0.171 0.000 0.750 160 E HN 0.447 nan 8.360 nan 0.000 0.452 161 T N 0.429 115.058 114.554 0.125 0.000 2.708 161 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 161 T C 2.132 176.881 174.700 0.082 0.000 1.037 161 T CA 1.326 63.484 62.100 0.097 0.000 1.146 161 T CB -0.203 68.698 68.868 0.056 0.000 0.865 161 T HN 0.029 nan 8.240 nan 0.000 0.435 162 S N 1.114 116.838 115.700 0.039 0.000 2.343 162 S HA -0.006 4.464 4.470 -0.000 0.000 0.219 162 S C 1.719 176.243 174.600 -0.126 0.000 1.033 162 S CA 1.191 59.336 58.200 -0.091 0.000 1.014 162 S CB -0.536 62.557 63.200 -0.179 0.000 0.915 162 S HN 0.417 nan 8.310 nan 0.000 0.435 163 F N -0.019 119.953 119.950 0.036 0.000 2.367 163 F HA 0.162 4.689 4.527 -0.000 0.000 0.298 163 F C 1.237 177.120 175.800 0.138 0.000 1.094 163 F CA 0.963 58.992 58.000 0.048 0.000 1.409 163 F CB -0.122 38.883 39.000 0.009 0.000 1.064 163 F HN 0.356 nan 8.300 nan 0.000 0.528 164 H N 0.069 119.227 119.070 0.147 0.000 3.215 164 H HA -0.127 4.429 4.556 -0.000 0.000 0.335 164 H C -1.015 174.361 175.328 0.079 0.000 1.360 164 H CA 0.219 56.319 56.048 0.086 0.000 1.283 164 H CB -1.285 28.511 29.762 0.055 0.000 1.425 164 H HN 0.231 nan 8.280 nan 0.000 0.455 165 S N 0.448 116.181 115.700 0.054 0.000 2.565 165 S HA 0.196 4.666 4.470 -0.000 0.000 0.274 165 S C -0.632 173.979 174.600 0.018 0.000 1.144 165 S CA -0.964 57.240 58.200 0.006 0.000 0.849 165 S CB 1.930 65.138 63.200 0.012 0.000 1.103 165 S HN 0.443 nan 8.310 nan 0.000 0.455 166 E N 0.894 121.104 120.200 0.016 0.000 2.418 166 E HA 0.215 4.565 4.350 -0.000 0.000 0.261 166 E C 0.457 177.112 176.600 0.092 0.000 1.070 166 E CA -0.549 55.892 56.400 0.069 0.000 0.931 166 E CB 0.286 30.023 29.700 0.061 0.000 0.954 166 E HN 0.486 nan 8.360 nan 0.000 0.439 167 F N 1.526 121.495 119.950 0.031 0.000 2.043 167 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 167 F C 1.986 177.781 175.800 -0.008 0.000 1.118 167 F CA 2.330 60.343 58.000 0.021 0.000 1.202 167 F CB -0.123 38.929 39.000 0.087 0.000 0.965 167 F HN 0.577 nan 8.300 nan 0.000 0.482 168 E N -0.098 120.250 120.200 0.246 0.000 2.301 168 E HA -0.325 4.025 4.350 -0.000 0.000 0.202 168 E C 1.943 178.511 176.600 -0.054 0.000 1.017 168 E CA 1.646 58.117 56.400 0.119 0.000 0.831 168 E CB -0.252 29.523 29.700 0.124 0.000 0.742 168 E HN 0.710 nan 8.360 nan 0.000 0.491 169 E N 0.366 120.510 120.200 -0.093 0.000 2.033 169 E HA -0.150 4.200 4.350 -0.000 0.000 0.189 169 E C 2.082 178.550 176.600 -0.220 0.000 0.979 169 E CA 1.259 57.587 56.400 -0.120 0.000 0.802 169 E CB -0.221 29.431 29.700 -0.081 0.000 0.763 169 E HN 0.364 nan 8.360 nan 0.000 0.449 170 I N 0.926 121.288 120.570 -0.346 0.000 2.493 170 I HA -0.187 3.983 4.170 -0.000 0.000 0.254 170 I C 1.817 177.623 176.117 -0.519 0.000 1.160 170 I CA 1.875 62.885 61.300 -0.484 0.000 1.445 170 I CB -1.128 36.498 38.000 -0.624 0.000 1.086 170 I HN 0.325 nan 8.210 nan 0.000 0.433 171 N N 1.599 119.937 118.700 -0.603 0.000 2.331 171 N HA -0.224 4.516 4.740 -0.000 0.000 0.180 171 N C 2.190 177.580 175.510 -0.199 0.000 1.019 171 N CA 0.653 53.432 53.050 -0.450 0.000 0.881 171 N CB -0.033 38.255 38.487 -0.332 0.000 0.972 171 N HN 0.483 nan 8.380 nan 0.000 0.435 172 R N 0.436 120.834 120.500 -0.169 0.000 2.156 172 R HA 0.046 4.386 4.340 -0.000 0.000 0.207 172 R C 1.378 177.609 176.300 -0.116 0.000 1.040 172 R CA 0.684 56.722 56.100 -0.103 0.000 1.013 172 R CB 0.330 30.587 30.300 -0.071 0.000 0.931 172 R HN 0.107 nan 8.270 nan 0.000 0.465 173 V N 0.140 119.960 119.914 -0.155 0.000 3.644 173 V HA 0.105 4.224 4.120 -0.000 0.000 0.267 173 V C 1.668 177.659 176.094 -0.170 0.000 1.277 173 V CA 0.423 62.637 62.300 -0.144 0.000 1.096 173 V CB 0.508 32.249 31.823 -0.136 0.000 0.828 173 V HN 0.210 nan 8.190 nan 0.000 0.446 174 L N -1.373 119.715 121.223 -0.225 0.000 2.641 174 L HA 0.243 4.583 4.340 -0.000 0.000 0.207 174 L C 1.843 178.597 176.870 -0.192 0.000 1.049 174 L CA 0.302 55.002 54.840 -0.234 0.000 0.866 174 L CB 0.093 41.935 42.059 -0.361 0.000 1.264 174 L HN 0.206 nan 8.230 nan 0.000 0.483 175 L N -0.199 120.901 121.223 -0.205 0.000 2.221 175 L HA 0.381 4.721 4.340 -0.000 0.000 0.202 175 L C 1.133 177.951 176.870 -0.087 0.000 1.074 175 L CA 1.129 55.886 54.840 -0.139 0.000 0.795 175 L CB -1.095 40.882 42.059 -0.136 0.000 0.960 175 L HN 0.330 nan 8.230 nan 0.000 0.458 184 Q N 0.628 120.385 119.800 -0.072 0.000 2.297 184 Q HA 0.313 4.653 4.340 -0.000 0.000 0.268 184 Q C -1.281 174.667 176.000 -0.086 0.000 1.045 184 Q CA -0.550 55.208 55.803 -0.076 0.000 0.861 184 Q CB 1.713 30.399 28.738 -0.086 0.000 1.344 184 Q HN 0.479 nan 8.270 nan 0.000 0.452 185 E N 0.732 120.885 120.200 -0.078 0.000 2.042 185 E HA 0.560 4.910 4.350 -0.000 0.000 0.260 185 E C -0.309 176.231 176.600 -0.099 0.000 0.975 185 E CA -0.599 55.755 56.400 -0.078 0.000 0.799 185 E CB 0.413 30.081 29.700 -0.053 0.000 1.131 185 E HN 0.738 nan 8.360 nan 0.000 0.423 186 G N 0.903 109.615 108.800 -0.148 0.000 2.617 186 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 186 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 186 G C 0.390 175.108 174.900 -0.303 0.000 1.214 186 G CA -0.459 44.520 45.100 -0.201 0.000 0.796 186 G HN 0.841 nan 8.290 nan 0.000 0.654 187 V N -0.695 118.925 119.914 -0.490 0.000 2.667 187 V HA 0.292 4.412 4.120 -0.000 0.000 0.252 187 V C 1.531 177.466 176.094 -0.265 0.000 1.065 187 V CA 1.639 63.581 62.300 -0.597 0.000 1.083 187 V CB -0.496 30.623 31.823 -1.173 0.000 0.692 187 V HN 0.698 nan 8.190 nan 0.000 0.468 188 I N 2.992 123.468 120.570 -0.156 0.000 2.304 188 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 188 I C -0.288 175.799 176.117 -0.049 0.000 1.018 188 I CA -0.544 60.735 61.300 -0.035 0.000 1.260 188 I CB 1.383 39.401 38.000 0.029 0.000 1.390 188 I HN 0.224 nan 8.210 nan 0.000 0.475 189 V N 2.220 122.112 119.914 -0.036 0.000 2.864 189 V HA 0.559 4.679 4.120 -0.000 0.000 0.314 189 V C -0.330 175.751 176.094 -0.021 0.000 1.073 189 V CA -0.839 61.437 62.300 -0.041 0.000 0.956 189 V CB 1.903 33.691 31.823 -0.058 0.000 1.023 189 V HN 0.690 nan 8.190 nan 0.000 0.435 190 E N 1.711 121.897 120.200 -0.023 0.000 2.319 190 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 190 E C -0.956 175.633 176.600 -0.019 0.000 1.050 190 E CA -0.530 55.861 56.400 -0.015 0.000 0.878 190 E CB 1.440 31.131 29.700 -0.015 0.000 1.066 190 E HN 0.647 nan 8.360 nan 0.000 0.406 191 L N 0.657 121.872 121.223 -0.014 0.000 2.343 191 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 191 L C 0.297 177.157 176.870 -0.017 0.000 1.050 191 L CA -0.712 54.117 54.840 -0.018 0.000 0.956 191 L CB 1.448 43.497 42.059 -0.016 0.000 1.576 191 L HN 0.617 nan 8.230 nan 0.000 0.521 204 K N 0.507 120.921 120.400 0.024 0.000 2.098 204 K HA 0.815 5.134 4.320 -0.000 0.000 0.257 204 K C 0.002 176.689 176.600 0.145 0.000 0.999 204 K CA -0.038 56.324 56.287 0.124 0.000 0.924 204 K CB 1.415 34.063 32.500 0.246 0.000 1.028 204 K HN 0.576 nan 8.250 nan 0.000 0.466 205 S N -0.363 115.408 115.700 0.119 0.000 2.632 205 S HA 0.303 4.772 4.470 -0.000 0.000 0.289 205 S C -1.255 173.402 174.600 0.095 0.000 1.115 205 S CA -0.764 57.498 58.200 0.103 0.000 0.889 205 S CB 1.300 64.586 63.200 0.143 0.000 1.116 205 S HN 0.589 nan 8.310 nan 0.000 0.486 206 S N 1.304 117.059 115.700 0.092 0.000 2.455 206 S HA 0.492 4.961 4.470 -0.000 0.000 0.278 206 S C 0.232 174.875 174.600 0.073 0.000 1.216 206 S CA -0.448 57.794 58.200 0.069 0.000 1.055 206 S CB 0.809 64.032 63.200 0.038 0.000 0.939 206 S HN 0.601 nan 8.310 nan 0.000 0.494 207 S N 3.110 118.847 115.700 0.062 0.000 2.623 207 S HA 0.453 4.923 4.470 -0.000 0.000 0.287 207 S C 0.885 175.511 174.600 0.044 0.000 1.123 207 S CA -1.007 57.221 58.200 0.047 0.000 1.016 207 S CB 0.794 64.021 63.200 0.045 0.000 1.233 207 S HN 0.775 nan 8.310 nan 0.000 0.512 208 R N 0.188 120.709 120.500 0.035 0.000 2.334 208 R HA 0.218 4.558 4.340 -0.000 0.000 0.216 208 R C 0.605 176.928 176.300 0.038 0.000 0.905 208 R CA 0.274 56.395 56.100 0.035 0.000 1.064 208 R CB 0.052 30.367 30.300 0.026 0.000 1.046 208 R HN 0.637 nan 8.270 nan 0.000 0.508 209 K N -1.376 119.047 120.400 0.038 0.000 2.506 209 K HA 0.176 4.496 4.320 -0.000 0.000 0.204 209 K C 0.852 177.475 176.600 0.039 0.000 1.045 209 K CA -0.018 56.289 56.287 0.033 0.000 1.074 209 K CB 0.882 33.398 32.500 0.026 0.000 0.842 209 K HN -0.268 nan 8.250 nan 0.000 0.514 210 T N 0.766 115.353 114.554 0.055 0.000 3.057 210 T HA 0.170 4.520 4.350 -0.000 0.000 0.254 210 T C 1.454 176.204 174.700 0.085 0.000 1.094 210 T CA -0.118 62.023 62.100 0.068 0.000 1.088 210 T CB -0.196 68.722 68.868 0.082 0.000 0.934 210 T HN 0.377 nan 8.240 nan 0.000 0.497 211 I N 0.747 121.368 120.570 0.085 0.000 2.479 211 I HA -0.164 4.006 4.170 -0.000 0.000 0.258 211 I C 1.308 177.380 176.117 -0.075 0.000 1.165 211 I CA 1.155 62.493 61.300 0.064 0.000 1.422 211 I CB 0.102 38.135 38.000 0.055 0.000 1.087 211 I HN 0.155 nan 8.210 nan 0.000 0.441 212 S N -0.492 115.178 115.700 -0.050 0.000 2.578 212 S HA 0.112 4.582 4.470 -0.000 0.000 0.231 212 S C 0.471 175.032 174.600 -0.065 0.000 0.994 212 S CA -0.185 57.964 58.200 -0.086 0.000 0.956 212 S CB 0.124 63.295 63.200 -0.049 0.000 0.870 212 S HN 0.475 nan 8.310 nan 0.000 0.494 213 S N 1.616 117.299 115.700 -0.030 0.000 2.537 213 S HA 0.109 4.579 4.470 -0.000 0.000 0.286 213 S C 0.932 175.521 174.600 -0.018 0.000 1.299 213 S CA -0.160 58.038 58.200 -0.004 0.000 1.067 213 S CB 0.697 63.914 63.200 0.028 0.000 0.864 213 S HN 0.479 nan 8.310 nan 0.000 0.494 214 E N 2.106 122.298 120.200 -0.013 0.000 2.482 214 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 214 E C 0.508 177.108 176.600 -0.001 0.000 1.047 214 E CA 1.211 57.603 56.400 -0.013 0.000 0.869 214 E CB 0.222 29.917 29.700 -0.008 0.000 0.836 214 E HN 0.946 nan 8.360 nan 0.000 0.520 215 D N -1.998 118.401 120.400 -0.001 0.000 2.218 215 D HA -0.023 4.617 4.640 -0.000 0.000 0.307 215 D C -0.012 176.219 176.300 -0.114 0.000 1.086 215 D CA -0.241 53.747 54.000 -0.019 0.000 0.886 215 D CB -0.080 40.734 40.800 0.023 0.000 1.645 215 D HN -0.021 nan 8.370 nan 0.000 0.523 216 E N 2.039 122.182 120.200 -0.095 0.000 2.349 216 E HA 0.358 4.708 4.350 -0.000 0.000 0.262 216 E C -2.289 174.229 176.600 -0.137 0.000 1.088 216 E CA -2.157 54.105 56.400 -0.230 0.000 0.899 216 E CB 0.406 30.072 29.700 -0.056 0.000 1.044 216 E HN 0.131 nan 8.360 nan 0.000 0.420 217 P HA 0.049 nan 4.420 nan 0.000 0.274 217 P C -1.075 176.228 177.300 0.005 0.000 1.231 217 P CA -0.107 62.891 63.100 -0.169 0.000 0.790 217 P CB 0.327 31.855 31.700 -0.286 0.000 0.951 218 F N -0.394 119.522 119.950 -0.057 0.000 2.557 218 F HA 0.675 5.202 4.527 -0.000 0.000 0.336 218 F C -0.211 175.578 175.800 -0.019 0.000 1.058 218 F CA -1.654 56.332 58.000 -0.023 0.000 0.988 218 F CB 0.640 39.642 39.000 0.003 0.000 1.275 218 F HN 0.179 nan 8.300 nan 0.000 0.488 219 N N 1.003 119.776 118.700 0.122 0.000 2.448 219 N HA 0.330 5.070 4.740 -0.000 0.000 0.279 219 N C 0.371 175.916 175.510 0.058 0.000 1.025 219 N CA -0.578 52.472 53.050 -0.001 0.000 0.898 219 N CB 1.601 40.065 38.487 -0.038 0.000 1.303 219 N HN 0.874 nan 8.380 nan 0.000 0.495 220 L N 2.490 123.742 121.223 0.048 0.000 2.043 220 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 220 L C 1.483 178.281 176.870 -0.120 0.000 1.075 220 L CA 1.284 56.169 54.840 0.075 0.000 0.752 220 L CB 0.026 42.175 42.059 0.151 0.000 0.891 220 L HN 0.635 nan 8.230 nan 0.000 0.432 221 R N -1.106 119.206 120.500 -0.314 0.000 2.334 221 R HA 0.064 4.403 4.340 -0.000 0.000 0.216 221 R C 2.038 178.187 176.300 -0.251 0.000 0.905 221 R CA 0.833 56.563 56.100 -0.616 0.000 1.064 221 R CB -0.110 29.740 30.300 -0.751 0.000 1.046 221 R HN 0.450 nan 8.270 nan 0.000 0.508 222 S N -0.030 115.610 115.700 -0.100 0.000 2.453 222 S HA 0.019 4.489 4.470 -0.000 0.000 0.231 222 S C 1.209 175.825 174.600 0.027 0.000 1.005 222 S CA 0.189 58.373 58.200 -0.027 0.000 0.949 222 S CB 0.247 63.449 63.200 0.004 0.000 0.774 222 S HN 0.157 nan 8.310 nan 0.000 0.510 223 R N 1.124 121.663 120.500 0.065 0.000 2.691 223 R HA 0.395 4.735 4.340 -0.000 0.000 0.259 223 R C -0.416 176.007 176.300 0.204 0.000 1.048 223 R CA -0.813 55.355 56.100 0.114 0.000 1.086 223 R CB 0.446 30.819 30.300 0.120 0.000 1.166 223 R HN 0.297 nan 8.270 nan 0.000 0.526 224 N N 2.203 121.004 118.700 0.168 0.000 2.508 224 N HA 0.125 4.865 4.740 -0.000 0.000 0.264 224 N C -2.123 173.492 175.510 0.175 0.000 1.216 224 N CA -0.679 52.474 53.050 0.173 0.000 0.943 224 N CB 0.464 38.995 38.487 0.074 0.000 1.113 224 N HN 0.380 nan 8.380 nan 0.000 0.447 225 P HA 0.162 nan 4.420 nan 0.000 0.275 225 P C 0.655 177.827 177.300 -0.213 0.000 1.266 225 P CA -0.154 62.689 63.100 -0.429 0.000 0.793 225 P CB 0.886 31.995 31.700 -0.983 0.000 1.074 226 I N -2.611 117.788 120.570 -0.285 0.000 2.899 226 I HA 0.118 4.288 4.170 -0.000 0.000 0.257 226 I C 0.333 176.291 176.117 -0.265 0.000 1.115 226 I CA 0.521 61.624 61.300 -0.328 0.000 1.451 226 I CB -0.542 37.094 38.000 -0.606 0.000 1.251 226 I HN 0.040 nan 8.210 nan 0.000 0.456 227 Y N 2.696 122.792 120.300 -0.340 0.000 2.342 227 Y HA 0.642 5.192 4.550 -0.000 0.000 0.338 227 Y C 0.177 176.101 175.900 0.041 0.000 0.965 227 Y CA -2.263 55.572 58.100 -0.442 0.000 1.159 227 Y CB 1.095 39.015 38.460 -0.900 0.000 1.157 227 Y HN 0.086 nan 8.280 nan 0.000 0.486 228 S N 3.668 119.487 115.700 0.199 0.000 2.706 228 S HA 0.657 5.127 4.470 -0.000 0.000 0.270 228 S C -1.292 173.371 174.600 0.106 0.000 1.163 228 S CA -0.754 57.500 58.200 0.091 0.000 1.042 228 S CB 0.539 63.687 63.200 -0.087 0.000 1.079 228 S HN 0.743 nan 8.310 nan 0.000 0.474 229 N N 2.457 121.229 118.700 0.120 0.000 2.761 229 N HA 0.399 5.139 4.740 -0.000 0.000 0.283 229 N C 0.045 175.520 175.510 -0.058 0.000 1.377 229 N CA -1.154 51.946 53.050 0.084 0.000 0.791 229 N CB -0.279 38.338 38.487 0.217 0.000 1.540 229 N HN 0.477 nan 8.380 nan 0.000 0.539 230 N N -1.425 117.170 118.700 -0.175 0.000 2.659 230 N HA -0.049 4.691 4.740 -0.000 0.000 0.194 230 N C -0.380 174.750 175.510 -0.633 0.000 1.140 230 N CA 1.039 53.838 53.050 -0.419 0.000 0.936 230 N CB -0.345 37.809 38.487 -0.555 0.000 0.970 230 N HN 0.383 nan 8.380 nan 0.000 0.449 231 F N -1.146 118.778 119.950 -0.043 0.000 2.706 231 F HA 0.415 4.942 4.527 -0.000 0.000 0.313 231 F C 1.106 176.739 175.800 -0.279 0.000 1.096 231 F CA -0.227 57.736 58.000 -0.062 0.000 1.219 231 F CB 0.959 40.000 39.000 0.067 0.000 1.051 231 F HN -0.153 nan 8.300 nan 0.000 0.568 232 G N 0.364 108.920 108.800 -0.407 0.000 2.340 232 G HA2 0.421 4.381 3.960 -0.000 0.000 0.298 232 G HA3 0.421 4.381 3.960 -0.000 0.000 0.298 232 G C -1.836 172.539 174.900 -0.875 0.000 1.498 232 G CA -1.193 43.357 45.100 -0.918 0.000 0.847 232 G HN -0.064 nan 8.290 nan 0.000 0.594 233 K N -0.308 119.691 120.400 -0.667 0.000 2.427 233 K HA 0.641 4.961 4.320 -0.000 0.000 0.252 233 K C -1.945 174.453 176.600 -0.337 0.000 0.931 233 K CA -0.841 55.179 56.287 -0.444 0.000 0.793 233 K CB 3.036 35.300 32.500 -0.393 0.000 1.211 233 K HN 0.280 nan 8.250 nan 0.000 0.426 234 F N 3.190 122.902 119.950 -0.397 0.000 2.434 234 F HA 0.436 4.963 4.527 -0.000 0.000 0.355 234 F C -1.413 174.089 175.800 -0.497 0.000 1.115 234 F CA -1.271 56.566 58.000 -0.272 0.000 1.010 234 F CB 0.548 39.463 39.000 -0.142 0.000 1.234 234 F HN 0.418 nan 8.300 nan 0.000 0.439 235 F N 3.918 123.883 119.950 0.025 0.000 2.443 235 F HA 0.518 5.045 4.527 -0.000 0.000 0.335 235 F C -0.058 175.826 175.800 0.141 0.000 1.104 235 F CA -0.649 57.392 58.000 0.070 0.000 1.013 235 F CB 1.664 40.669 39.000 0.008 0.000 1.136 235 F HN 0.383 nan 8.300 nan 0.000 0.470 236 E N 3.853 124.251 120.200 0.330 0.000 2.321 236 E HA 0.494 4.844 4.350 -0.000 0.000 0.281 236 E C -1.889 174.842 176.600 0.218 0.000 0.910 236 E CA -0.483 56.095 56.400 0.297 0.000 0.770 236 E CB 2.065 31.927 29.700 0.270 0.000 1.225 236 E HN 0.658 nan 8.360 nan 0.000 0.417 237 I N 3.392 124.116 120.570 0.257 0.000 2.433 237 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 237 I C -0.046 176.192 176.117 0.203 0.000 1.001 237 I CA -0.476 60.943 61.300 0.198 0.000 1.119 237 I CB 2.112 40.255 38.000 0.237 0.000 1.289 237 I HN 0.586 nan 8.210 nan 0.000 0.438 238 T N 2.836 117.457 114.554 0.112 0.000 2.950 238 T HA 0.425 4.775 4.350 -0.000 0.000 0.288 238 T C -2.006 172.731 174.700 0.062 0.000 1.035 238 T CA -1.977 60.190 62.100 0.111 0.000 1.028 238 T CB 1.680 70.573 68.868 0.041 0.000 1.109 238 T HN 0.342 nan 8.240 nan 0.000 0.514 239 P HA -0.017 nan 4.420 nan 0.000 0.231 239 P C 0.757 178.062 177.300 0.008 0.000 1.158 239 P CA 0.786 63.910 63.100 0.040 0.000 0.763 239 P CB 0.222 31.964 31.700 0.071 0.000 0.805 240 E N 0.589 120.795 120.200 0.010 0.000 2.107 240 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 240 E C 1.802 178.389 176.600 -0.021 0.000 0.982 240 E CA 1.376 57.774 56.400 -0.003 0.000 0.809 240 E CB -0.223 29.476 29.700 -0.002 0.000 0.756 240 E HN 0.313 nan 8.360 nan 0.000 0.459 241 K N -0.544 119.837 120.400 -0.032 0.000 2.308 241 K HA 0.115 4.435 4.320 -0.000 0.000 0.197 241 K C 0.278 176.815 176.600 -0.106 0.000 1.049 241 K CA 0.228 56.483 56.287 -0.052 0.000 0.991 241 K CB 0.291 32.769 32.500 -0.038 0.000 0.836 241 K HN -0.092 nan 8.250 nan 0.000 0.500 242 N N 0.861 119.466 118.700 -0.159 0.000 2.446 242 N HA 0.171 4.911 4.740 -0.000 0.000 0.265 242 N C -2.324 173.065 175.510 -0.201 0.000 0.975 242 N CA -2.226 50.654 53.050 -0.284 0.000 0.928 242 N CB 1.486 39.588 38.487 -0.641 0.000 1.160 242 N HN -0.288 nan 8.380 nan 0.000 0.495 243 P HA -0.226 nan 4.420 nan 0.000 0.217 243 P C 0.705 177.967 177.300 -0.063 0.000 1.151 243 P CA 1.476 64.528 63.100 -0.081 0.000 0.849 243 P CB 0.259 31.922 31.700 -0.062 0.000 0.787 244 Q N -1.487 118.258 119.800 -0.091 0.000 2.079 244 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 244 Q C 1.900 177.918 176.000 0.030 0.000 0.974 244 Q CA 1.010 56.811 55.803 -0.003 0.000 0.840 244 Q CB -0.556 28.238 28.738 0.092 0.000 0.898 244 Q HN 0.162 nan 8.270 nan 0.000 0.430 245 L N 0.394 121.611 121.223 -0.009 0.000 2.072 245 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 245 L C 2.304 179.207 176.870 0.056 0.000 1.079 245 L CA 1.623 56.502 54.840 0.064 0.000 0.752 245 L CB -0.835 41.262 42.059 0.064 0.000 0.906 245 L HN 0.148 nan 8.230 nan 0.000 0.436 246 R N -0.303 120.208 120.500 0.018 0.000 2.127 246 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 246 R C 1.701 178.021 176.300 0.033 0.000 1.134 246 R CA 1.514 57.629 56.100 0.026 0.000 0.975 246 R CB -0.086 30.216 30.300 0.004 0.000 0.865 246 R HN 0.328 nan 8.270 nan 0.000 0.447 247 D N 0.096 120.513 120.400 0.027 0.000 2.224 247 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 247 D C 1.535 177.860 176.300 0.041 0.000 0.965 247 D CA 1.013 55.029 54.000 0.026 0.000 0.852 247 D CB 0.209 41.020 40.800 0.017 0.000 0.947 247 D HN 0.341 nan 8.370 nan 0.000 0.494 248 L N -0.206 121.054 121.223 0.063 0.000 2.590 248 L HA 0.063 4.403 4.340 -0.000 0.000 0.227 248 L C 0.239 177.171 176.870 0.103 0.000 1.099 248 L CA -0.104 54.787 54.840 0.086 0.000 0.872 248 L CB 0.361 42.483 42.059 0.105 0.000 1.088 248 L HN -0.141 nan 8.230 nan 0.000 0.479 249 D N 1.610 122.066 120.400 0.092 0.000 2.699 249 D HA -0.214 4.426 4.640 -0.000 0.000 0.239 249 D C -0.432 175.944 176.300 0.126 0.000 1.136 249 D CA 0.683 54.744 54.000 0.102 0.000 0.668 249 D CB -0.930 39.926 40.800 0.093 0.000 1.060 249 D HN 0.225 nan 8.370 nan 0.000 0.429 250 I N 0.814 121.468 120.570 0.139 0.000 2.646 250 I HA 0.521 4.691 4.170 -0.000 0.000 0.299 250 I C 0.284 176.536 176.117 0.224 0.000 1.036 250 I CA -1.325 60.058 61.300 0.140 0.000 1.074 250 I CB 1.674 39.747 38.000 0.121 0.000 1.258 250 I HN 0.052 nan 8.210 nan 0.000 0.430 251 F N 5.167 125.198 119.950 0.135 0.000 2.532 251 F HA 0.797 5.324 4.527 -0.000 0.000 0.321 251 F C -1.689 174.200 175.800 0.149 0.000 1.089 251 F CA -0.782 57.297 58.000 0.133 0.000 0.926 251 F CB 1.053 40.118 39.000 0.109 0.000 1.168 251 F HN 0.143 nan 8.300 nan 0.000 0.459 252 L N 3.289 124.717 121.223 0.341 0.000 2.334 252 L HA 0.777 5.117 4.340 -0.000 0.000 0.270 252 L C -0.532 176.497 176.870 0.264 0.000 1.018 252 L CA -0.897 54.022 54.840 0.131 0.000 0.811 252 L CB 2.275 44.428 42.059 0.156 0.000 1.271 252 L HN 0.946 nan 8.230 nan 0.000 0.443 253 S N -0.143 115.584 115.700 0.045 0.000 2.584 253 S HA 0.433 4.903 4.470 -0.000 0.000 0.280 253 S C -1.051 173.436 174.600 -0.189 0.000 1.162 253 S CA -0.728 57.526 58.200 0.090 0.000 0.951 253 S CB 1.689 65.106 63.200 0.362 0.000 1.108 253 S HN 0.507 nan 8.310 nan 0.000 0.464 254 S N 2.411 118.012 115.700 -0.166 0.000 2.596 254 S HA 0.727 5.197 4.470 -0.000 0.000 0.318 254 S C -0.392 174.028 174.600 -0.301 0.000 1.097 254 S CA -0.281 57.777 58.200 -0.237 0.000 1.080 254 S CB 0.537 63.721 63.200 -0.028 0.000 0.991 254 S HN 1.952 nan 8.310 nan 0.000 0.471 255 V N 1.995 121.502 119.914 -0.679 0.000 2.680 255 V HA 0.760 4.880 4.120 -0.000 0.000 0.309 255 V C -1.326 174.492 176.094 -0.459 0.000 1.052 255 V CA -0.752 61.150 62.300 -0.663 0.000 0.908 255 V CB 2.051 33.279 31.823 -0.991 0.000 1.001 255 V HN 0.766 nan 8.190 nan 0.000 0.431 256 D N 4.553 124.801 120.400 -0.254 0.000 2.256 256 D HA 0.681 5.321 4.640 -0.000 0.000 0.246 256 D C -0.604 175.585 176.300 -0.186 0.000 1.042 256 D CA 0.059 53.964 54.000 -0.158 0.000 0.841 256 D CB 2.424 43.173 40.800 -0.084 0.000 1.223 256 D HN 0.685 nan 8.370 nan 0.000 0.470 257 I N 1.332 121.874 120.570 -0.047 0.000 2.534 257 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 257 I C 0.200 176.350 176.117 0.054 0.000 1.077 257 I CA -0.752 60.555 61.300 0.012 0.000 1.051 257 I CB 1.883 40.001 38.000 0.197 0.000 1.234 257 I HN 0.019 nan 8.210 nan 0.000 0.425 258 N N 4.092 122.829 118.700 0.062 0.000 2.415 258 N HA 0.069 4.809 4.740 -0.000 0.000 0.248 258 N C -0.106 175.476 175.510 0.120 0.000 1.271 258 N CA -0.388 52.718 53.050 0.093 0.000 0.913 258 N CB 0.804 39.370 38.487 0.131 0.000 1.129 258 N HN 0.626 nan 8.380 nan 0.000 0.444 259 E N 0.334 120.594 120.200 0.099 0.000 2.413 259 E HA 0.063 4.413 4.350 -0.000 0.000 0.263 259 E C 0.973 177.632 176.600 0.099 0.000 1.015 259 E CA 0.525 56.979 56.400 0.090 0.000 0.916 259 E CB 0.219 29.962 29.700 0.071 0.000 0.947 259 E HN 0.710 nan 8.360 nan 0.000 0.440 260 G N 2.738 111.585 108.800 0.077 0.000 2.417 260 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.233 260 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.233 260 G C 0.535 175.451 174.900 0.028 0.000 1.103 260 G CA 0.193 45.324 45.100 0.051 0.000 0.647 260 G HN 1.113 nan 8.290 nan 0.000 0.512 261 A N 0.204 123.066 122.820 0.071 0.000 2.492 261 A HA 0.655 4.975 4.320 -0.000 0.000 0.236 261 A C 0.171 177.813 177.584 0.096 0.000 1.078 261 A CA 1.189 53.256 52.037 0.050 0.000 0.773 261 A CB 0.550 19.680 19.000 0.217 0.000 1.023 261 A HN 1.937 nan 8.150 nan 0.000 0.504 262 L N 1.210 122.499 121.223 0.109 0.000 2.455 262 L HA 0.627 4.967 4.340 -0.000 0.000 0.264 262 L C -1.322 175.669 176.870 0.203 0.000 0.968 262 L CA -0.979 53.943 54.840 0.136 0.000 0.827 262 L CB 1.844 43.930 42.059 0.046 0.000 1.317 262 L HN 0.650 nan 8.230 nan 0.000 0.407 263 L N 5.583 126.939 121.223 0.222 0.000 2.312 263 L HA 0.392 4.732 4.340 -0.000 0.000 0.287 263 L C -0.267 176.640 176.870 0.061 0.000 1.091 263 L CA 0.062 54.991 54.840 0.147 0.000 0.846 263 L CB 0.143 42.355 42.059 0.255 0.000 1.219 263 L HN 0.623 nan 8.230 nan 0.000 0.439 264 L N 7.362 128.610 121.223 0.041 0.000 2.640 264 L HA -0.044 4.296 4.340 -0.000 0.000 0.300 264 L C -1.603 175.325 176.870 0.098 0.000 1.259 264 L CA -0.837 54.049 54.840 0.077 0.000 0.879 264 L CB -0.088 42.028 42.059 0.095 0.000 1.125 264 L HN 0.526 nan 8.230 nan 0.000 0.507 265 P HA 0.024 nan 4.420 nan 0.000 0.264 265 P C -0.906 176.363 177.300 -0.052 0.000 1.193 265 P CA 0.540 63.622 63.100 -0.031 0.000 0.763 265 P CB 0.532 32.227 31.700 -0.009 0.000 0.810 266 H N 1.278 120.095 119.070 -0.422 0.000 2.950 266 H HA 0.670 5.226 4.556 -0.000 0.000 0.272 266 H C -1.195 174.051 175.328 -0.136 0.000 1.495 266 H CA -0.875 54.849 56.048 -0.540 0.000 1.183 266 H CB 0.849 29.721 29.762 -1.483 0.000 1.867 266 H HN 0.421 nan 8.280 nan 0.000 0.597 267 F N -0.896 118.856 119.950 -0.331 0.000 2.693 267 F HA 0.490 5.017 4.527 -0.000 0.000 0.309 267 F C -1.727 174.085 175.800 0.019 0.000 1.129 267 F CA -1.054 56.863 58.000 -0.138 0.000 0.948 267 F CB 1.610 40.593 39.000 -0.030 0.000 1.315 267 F HN 0.454 nan 8.300 nan 0.000 0.447 268 N N 1.319 120.207 118.700 0.315 0.000 2.438 268 N HA 0.194 4.934 4.740 -0.000 0.000 0.282 268 N C 0.631 176.327 175.510 0.310 0.000 1.037 268 N CA 0.347 53.528 53.050 0.217 0.000 0.942 268 N CB 2.173 40.814 38.487 0.257 0.000 1.136 268 N HN 0.873 nan 8.380 nan 0.000 0.481 269 S N 3.497 119.301 115.700 0.172 0.000 2.353 269 S HA -0.224 4.246 4.470 -0.000 0.000 0.222 269 S C 1.168 175.886 174.600 0.196 0.000 1.035 269 S CA 1.314 59.647 58.200 0.222 0.000 1.025 269 S CB -0.086 63.178 63.200 0.106 0.000 0.902 269 S HN 0.811 nan 8.310 nan 0.000 0.440 270 K N -0.045 120.445 120.400 0.149 0.000 2.588 270 K HA 0.595 4.915 4.320 -0.000 0.000 0.216 270 K C 0.196 176.874 176.600 0.129 0.000 1.382 270 K CA 0.204 56.568 56.287 0.128 0.000 1.008 270 K CB 0.483 33.043 32.500 0.100 0.000 1.138 270 K HN 0.319 nan 8.250 nan 0.000 0.619 271 A N 1.941 124.861 122.820 0.168 0.000 2.354 271 A HA 0.541 4.861 4.320 -0.000 0.000 0.269 271 A C -0.279 177.395 177.584 0.151 0.000 1.109 271 A CA -0.620 51.545 52.037 0.213 0.000 0.800 271 A CB -0.012 19.246 19.000 0.430 0.000 1.045 271 A HN 0.353 nan 8.150 nan 0.000 0.489 272 I N 3.201 123.802 120.570 0.053 0.000 2.291 272 I HA 0.154 4.323 4.170 -0.000 0.000 0.290 272 I C -0.311 175.754 176.117 -0.087 0.000 1.050 272 I CA -0.308 60.958 61.300 -0.057 0.000 1.245 272 I CB 1.067 38.987 38.000 -0.134 0.000 1.405 272 I HN 0.273 nan 8.210 nan 0.000 0.478 273 V N 8.137 128.020 119.914 -0.053 0.000 2.498 273 V HA 0.294 4.414 4.120 -0.000 0.000 0.279 273 V C 0.309 176.326 176.094 -0.128 0.000 1.048 273 V CA -0.171 62.095 62.300 -0.057 0.000 0.967 273 V CB 1.549 33.425 31.823 0.088 0.000 0.988 273 V HN 0.457 nan 8.190 nan 0.000 0.473 274 I N 6.894 127.405 120.570 -0.100 0.000 2.354 274 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 274 I C -0.507 175.639 176.117 0.048 0.000 1.007 274 I CA -0.570 60.705 61.300 -0.041 0.000 1.167 274 I CB 1.437 39.447 38.000 0.017 0.000 1.320 274 I HN 0.484 nan 8.210 nan 0.000 0.458 275 L N 6.956 128.207 121.223 0.047 0.000 2.317 275 L HA 0.773 5.113 4.340 -0.000 0.000 0.281 275 L C -0.928 176.000 176.870 0.097 0.000 1.024 275 L CA -0.387 54.481 54.840 0.046 0.000 0.810 275 L CB 1.752 43.723 42.059 -0.148 0.000 1.240 275 L HN 0.221 nan 8.230 nan 0.000 0.427 276 V N 5.174 125.169 119.914 0.135 0.000 2.409 276 V HA 0.413 4.532 4.120 -0.000 0.000 0.291 276 V C 0.250 176.459 176.094 0.191 0.000 1.020 276 V CA -0.532 61.873 62.300 0.175 0.000 0.848 276 V CB 1.549 33.491 31.823 0.198 0.000 0.990 276 V HN 0.643 nan 8.190 nan 0.000 0.430 277 I N 4.352 125.027 120.570 0.175 0.000 2.436 277 I HA 0.099 4.269 4.170 -0.000 0.000 0.289 277 I C 1.342 177.567 176.117 0.180 0.000 1.083 277 I CA 0.668 62.083 61.300 0.191 0.000 1.372 277 I CB -0.026 38.065 38.000 0.152 0.000 1.408 277 I HN 0.814 nan 8.210 nan 0.000 0.516 278 N N 5.767 124.578 118.700 0.185 0.000 2.176 278 N HA -0.023 4.717 4.740 -0.000 0.000 0.187 278 N C 0.242 175.820 175.510 0.114 0.000 1.043 278 N CA 0.414 53.548 53.050 0.141 0.000 0.851 278 N CB 0.620 39.186 38.487 0.132 0.000 1.018 278 N HN 0.785 nan 8.380 nan 0.000 0.436 279 E N -0.943 119.324 120.200 0.113 0.000 2.340 279 E HA 0.518 4.868 4.350 -0.000 0.000 0.273 279 E C -0.335 176.325 176.600 0.099 0.000 0.891 279 E CA -0.749 55.704 56.400 0.089 0.000 0.757 279 E CB 2.584 32.324 29.700 0.067 0.000 1.231 279 E HN 0.361 nan 8.360 nan 0.000 0.439 280 G N 2.167 111.018 108.800 0.085 0.000 2.660 280 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.247 280 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.247 280 G C -1.276 173.680 174.900 0.094 0.000 1.328 280 G CA -0.093 45.059 45.100 0.086 0.000 0.884 280 G HN 0.748 nan 8.290 nan 0.000 0.531 281 D N -0.542 119.912 120.400 0.090 0.000 2.614 281 D HA 0.951 5.591 4.640 -0.000 0.000 0.264 281 D C 0.217 176.567 176.300 0.083 0.000 1.092 281 D CA 0.462 54.512 54.000 0.084 0.000 1.071 281 D CB 1.818 42.660 40.800 0.069 0.000 1.443 281 D HN 1.799 nan 8.370 nan 0.000 0.528 282 A N 0.357 123.214 122.820 0.061 0.000 2.574 282 A HA 0.492 4.811 4.320 -0.000 0.000 0.298 282 A C -1.996 175.591 177.584 0.004 0.000 0.987 282 A CA -0.942 51.124 52.037 0.047 0.000 0.678 282 A CB 0.818 19.860 19.000 0.070 0.000 1.296 282 A HN 0.400 nan 8.150 nan 0.000 0.420 283 N N 0.951 119.649 118.700 -0.004 0.000 2.408 283 N HA 0.568 5.308 4.740 -0.000 0.000 0.280 283 N C -0.969 174.505 175.510 -0.060 0.000 1.002 283 N CA -0.152 52.875 53.050 -0.038 0.000 0.907 283 N CB 2.111 40.589 38.487 -0.015 0.000 1.161 283 N HN 0.776 nan 8.380 nan 0.000 0.488 284 I N 0.235 120.717 120.570 -0.147 0.000 2.530 284 I HA 0.302 4.472 4.170 -0.000 0.000 0.297 284 I C -0.593 175.460 176.117 -0.108 0.000 1.011 284 I CA -0.642 60.552 61.300 -0.178 0.000 1.107 284 I CB 1.470 39.189 38.000 -0.468 0.000 1.285 284 I HN 0.294 nan 8.210 nan 0.000 0.436 285 E N 8.108 128.320 120.200 0.020 0.000 2.183 285 E HA 0.311 4.661 4.350 -0.000 0.000 0.250 285 E C -1.017 175.704 176.600 0.201 0.000 0.901 285 E CA -0.536 55.926 56.400 0.103 0.000 0.741 285 E CB 1.967 31.714 29.700 0.078 0.000 1.182 285 E HN 0.533 nan 8.360 nan 0.000 0.425 286 L N 3.460 124.865 121.223 0.304 0.000 2.326 286 L HA 0.388 4.728 4.340 -0.000 0.000 0.278 286 L C -0.505 176.569 176.870 0.341 0.000 1.092 286 L CA -0.442 54.612 54.840 0.357 0.000 0.810 286 L CB 1.500 43.796 42.059 0.396 0.000 1.153 286 L HN 0.255 nan 8.230 nan 0.000 0.439 287 V N 4.679 124.759 119.914 0.278 0.000 2.448 287 V HA 0.856 4.976 4.120 -0.000 0.000 0.295 287 V C 0.086 176.297 176.094 0.194 0.000 1.025 287 V CA -0.076 62.338 62.300 0.189 0.000 0.859 287 V CB 1.633 33.505 31.823 0.082 0.000 0.988 287 V HN 0.892 nan 8.190 nan 0.000 0.431 288 G N 5.994 114.903 108.800 0.181 0.000 2.642 288 G HA2 0.602 4.562 3.960 -0.000 0.000 0.293 288 G HA3 0.602 4.562 3.960 -0.000 0.000 0.293 288 G C -1.101 173.793 174.900 -0.010 0.000 1.341 288 G CA -0.852 44.309 45.100 0.103 0.000 0.916 288 G HN 0.580 nan 8.290 nan 0.000 0.474 289 I N 0.754 121.270 120.570 -0.091 0.000 2.581 289 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 289 I C 0.785 176.908 176.117 0.011 0.000 1.047 289 I CA -0.247 61.015 61.300 -0.064 0.000 1.374 289 I CB 1.402 39.339 38.000 -0.105 0.000 1.423 289 I HN 0.401 nan 8.210 nan 0.000 0.549 304 E N 2.352 122.535 120.200 -0.029 0.000 2.216 304 E HA 0.396 4.746 4.350 -0.000 0.000 0.260 304 E C -0.973 175.602 176.600 -0.042 0.000 0.880 304 E CA -0.566 55.815 56.400 -0.031 0.000 0.765 304 E CB 2.977 32.662 29.700 -0.026 0.000 1.174 304 E HN 0.258 nan 8.360 nan 0.000 0.417 305 V N 4.151 124.037 119.914 -0.046 0.000 2.572 305 V HA 0.019 4.139 4.120 -0.000 0.000 0.291 305 V C 0.197 176.246 176.094 -0.075 0.000 1.039 305 V CA 0.407 62.672 62.300 -0.058 0.000 1.055 305 V CB 1.225 33.018 31.823 -0.050 0.000 0.969 305 V HN 0.652 nan 8.190 nan 0.000 0.482 306 Q N 5.710 125.442 119.800 -0.113 0.000 2.316 306 Q HA 0.454 4.794 4.340 -0.000 0.000 0.264 306 Q C -0.348 175.480 176.000 -0.287 0.000 0.987 306 Q CA -0.818 54.862 55.803 -0.205 0.000 0.852 306 Q CB 1.430 30.001 28.738 -0.279 0.000 1.287 306 Q HN 0.764 nan 8.270 nan 0.000 0.448 307 R N 3.339 123.700 120.500 -0.233 0.000 2.368 307 R HA 0.309 4.649 4.340 -0.000 0.000 0.302 307 R C -1.561 174.623 176.300 -0.193 0.000 1.002 307 R CA -0.182 55.834 56.100 -0.141 0.000 0.929 307 R CB 0.657 30.937 30.300 -0.033 0.000 1.073 307 R HN 0.530 nan 8.270 nan 0.000 0.464 308 Y N 2.971 123.371 120.300 0.167 0.000 2.377 308 Y HA 0.454 5.004 4.550 -0.000 0.000 0.339 308 Y C 0.389 176.417 175.900 0.212 0.000 1.011 308 Y CA -0.642 57.591 58.100 0.222 0.000 1.093 308 Y CB 1.665 40.334 38.460 0.348 0.000 1.201 308 Y HN 0.577 nan 8.280 nan 0.000 0.455 309 R N 1.702 122.394 120.500 0.321 0.000 2.855 309 R HA 0.981 5.321 4.340 -0.000 0.000 0.266 309 R C -1.946 174.433 176.300 0.131 0.000 1.034 309 R CA -0.844 55.371 56.100 0.192 0.000 0.944 309 R CB 2.058 32.414 30.300 0.094 0.000 1.219 309 R HN 0.806 nan 8.270 nan 0.000 0.474 310 A N 1.407 124.222 122.820 -0.008 0.000 2.581 310 A HA 0.328 4.648 4.320 -0.000 0.000 0.294 310 A C -1.871 175.588 177.584 -0.210 0.000 1.035 310 A CA -0.792 51.128 52.037 -0.196 0.000 0.684 310 A CB 1.716 20.552 19.000 -0.273 0.000 1.282 310 A HN 0.748 nan 8.150 nan 0.000 0.417 311 E N 1.444 121.494 120.200 -0.250 0.000 2.101 311 E HA 0.498 4.848 4.350 -0.000 0.000 0.260 311 E C -0.978 175.594 176.600 -0.047 0.000 0.897 311 E CA -0.308 56.026 56.400 -0.110 0.000 0.744 311 E CB 1.089 30.757 29.700 -0.052 0.000 1.140 311 E HN 0.528 nan 8.360 nan 0.000 0.419 312 L N 1.548 122.785 121.223 0.023 0.000 2.357 312 L HA 0.504 4.844 4.340 -0.000 0.000 0.273 312 L C 0.400 177.351 176.870 0.135 0.000 1.080 312 L CA -0.443 54.497 54.840 0.166 0.000 0.803 312 L CB 1.187 43.336 42.059 0.151 0.000 1.174 312 L HN 0.415 nan 8.230 nan 0.000 0.443 313 S N -0.659 115.143 115.700 0.170 0.000 2.971 313 S HA 0.311 4.781 4.470 -0.000 0.000 0.320 313 S C -0.723 173.957 174.600 0.134 0.000 1.111 313 S CA -0.953 57.326 58.200 0.132 0.000 0.870 313 S CB 0.876 64.150 63.200 0.122 0.000 1.331 313 S HN 0.587 nan 8.310 nan 0.000 0.635 314 E N 0.982 121.248 120.200 0.111 0.000 2.417 314 E HA 0.068 4.418 4.350 -0.000 0.000 0.261 314 E C -0.868 175.799 176.600 0.112 0.000 1.000 314 E CA 0.463 56.925 56.400 0.102 0.000 0.919 314 E CB -0.031 29.713 29.700 0.073 0.000 0.955 314 E HN 0.504 nan 8.360 nan 0.000 0.455 315 D N 2.536 123.013 120.400 0.127 0.000 3.017 315 D HA -0.160 4.480 4.640 -0.000 0.000 0.220 315 D C -1.174 175.268 176.300 0.236 0.000 1.141 315 D CA 0.971 55.064 54.000 0.155 0.000 0.848 315 D CB -0.869 39.970 40.800 0.066 0.000 1.102 315 D HN 0.424 nan 8.370 nan 0.000 0.427 316 D N -0.469 120.055 120.400 0.206 0.000 2.177 316 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 316 D C 0.088 176.509 176.300 0.200 0.000 1.063 316 D CA -0.314 53.804 54.000 0.197 0.000 0.867 316 D CB 1.591 42.541 40.800 0.250 0.000 1.168 316 D HN -0.164 nan 8.370 nan 0.000 0.445 317 V N 3.185 123.189 119.914 0.150 0.000 2.513 317 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 317 V C -0.656 175.576 176.094 0.231 0.000 1.035 317 V CA -0.843 61.567 62.300 0.183 0.000 0.889 317 V CB 1.462 33.379 31.823 0.157 0.000 0.988 317 V HN 0.396 nan 8.190 nan 0.000 0.440 318 F N 4.330 124.320 119.950 0.066 0.000 2.562 318 F HA 0.670 5.197 4.527 -0.000 0.000 0.319 318 F C -0.639 175.132 175.800 -0.047 0.000 1.154 318 F CA -0.738 57.295 58.000 0.056 0.000 0.931 318 F CB 1.936 40.963 39.000 0.045 0.000 1.198 318 F HN 0.371 nan 8.300 nan 0.000 0.444 319 V N 8.013 127.773 119.914 -0.257 0.000 2.370 319 V HA 0.613 4.733 4.120 -0.000 0.000 0.283 319 V C -0.849 175.005 176.094 -0.400 0.000 1.023 319 V CA -0.374 61.767 62.300 -0.266 0.000 0.857 319 V CB 1.149 32.770 31.823 -0.336 0.000 0.985 319 V HN 0.633 nan 8.190 nan 0.000 0.443 320 I N 9.447 129.810 120.570 -0.345 0.000 2.307 320 I HA 0.456 4.626 4.170 -0.000 0.000 0.289 320 I C -2.098 173.739 176.117 -0.466 0.000 1.021 320 I CA -1.980 59.036 61.300 -0.473 0.000 1.224 320 I CB 1.414 39.094 38.000 -0.534 0.000 1.376 320 I HN 0.502 nan 8.210 nan 0.000 0.470 321 P HA 0.064 nan 4.420 nan 0.000 0.270 321 P C -0.348 176.755 177.300 -0.330 0.000 1.227 321 P CA -0.350 62.383 63.100 -0.612 0.000 0.788 321 P CB 0.500 31.541 31.700 -1.098 0.000 0.926 322 A N 1.620 124.380 122.820 -0.100 0.000 2.445 322 A HA 0.417 4.737 4.320 -0.000 0.000 0.242 322 A C 1.222 178.963 177.584 0.262 0.000 1.075 322 A CA 0.519 52.613 52.037 0.095 0.000 0.777 322 A CB -1.277 17.782 19.000 0.099 0.000 1.013 322 A HN 0.780 nan 8.150 nan 0.000 0.493 323 A N 0.127 123.118 122.820 0.285 0.000 3.413 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.268 323 A C -0.013 177.610 177.584 0.065 0.000 1.128 323 A CA 1.602 53.745 52.037 0.177 0.000 1.062 323 A CB -2.724 16.297 19.000 0.035 0.000 1.121 323 A HN 1.205 nan 8.150 nan 0.000 0.895 324 Y N -0.098 120.178 120.300 -0.041 0.000 2.327 324 Y HA 0.503 5.053 4.550 -0.000 0.000 0.336 324 Y C -2.191 173.749 175.900 0.066 0.000 1.035 324 Y CA -2.454 55.612 58.100 -0.056 0.000 1.165 324 Y CB 0.518 38.921 38.460 -0.096 0.000 1.181 324 Y HN 0.123 nan 8.280 nan 0.000 0.494 325 P HA 0.188 nan 4.420 nan 0.000 0.276 325 P C -0.982 176.448 177.300 0.217 0.000 1.235 325 P CA 0.006 63.199 63.100 0.155 0.000 0.772 325 P CB 0.245 31.984 31.700 0.065 0.000 0.871 326 F N 1.518 121.412 119.950 -0.093 0.000 2.626 326 F HA 0.800 5.326 4.527 -0.000 0.000 0.311 326 F C -1.836 173.949 175.800 -0.024 0.000 1.088 326 F CA -1.471 56.501 58.000 -0.048 0.000 0.949 326 F CB 1.215 40.193 39.000 -0.037 0.000 1.322 326 F HN 0.144 nan 8.300 nan 0.000 0.461 327 V N 2.621 122.532 119.914 -0.004 0.000 2.656 327 V HA 0.653 4.773 4.120 -0.000 0.000 0.307 327 V C -1.348 174.782 176.094 0.060 0.000 1.051 327 V CA -0.768 61.497 62.300 -0.058 0.000 0.893 327 V CB 2.220 34.043 31.823 -0.001 0.000 0.999 327 V HN 0.798 nan 8.190 nan 0.000 0.426 328 V N 6.978 126.940 119.914 0.080 0.000 2.277 328 V HA 0.416 4.536 4.120 -0.000 0.000 0.269 328 V C 0.209 176.386 176.094 0.138 0.000 1.036 328 V CA -0.593 61.798 62.300 0.151 0.000 0.821 328 V CB 1.015 33.011 31.823 0.288 0.000 1.052 328 V HN 0.859 nan 8.190 nan 0.000 0.462 329 N N 4.398 123.150 118.700 0.087 0.000 2.527 329 N HA 0.395 5.135 4.740 -0.000 0.000 0.236 329 N C -0.241 175.318 175.510 0.081 0.000 0.999 329 N CA -0.348 52.748 53.050 0.077 0.000 0.935 329 N CB 1.882 40.395 38.487 0.043 0.000 1.132 329 N HN 0.661 nan 8.380 nan 0.000 0.511 330 A N 3.103 125.990 122.820 0.111 0.000 2.350 330 A HA 0.236 4.556 4.320 -0.000 0.000 0.293 330 A C 1.179 178.813 177.584 0.082 0.000 1.231 330 A CA -0.479 51.625 52.037 0.111 0.000 0.883 330 A CB -0.127 18.961 19.000 0.147 0.000 1.133 330 A HN 0.728 nan 8.150 nan 0.000 0.533 331 T N -0.588 114.007 114.554 0.068 0.000 3.272 331 T HA 0.390 4.740 4.350 -0.000 0.000 0.250 331 T C 0.359 175.093 174.700 0.058 0.000 1.082 331 T CA 0.352 62.485 62.100 0.055 0.000 0.968 331 T CB -0.935 67.959 68.868 0.044 0.000 1.015 331 T HN 1.696 nan 8.240 nan 0.000 0.563 332 S N 0.192 115.933 115.700 0.069 0.000 2.680 332 S HA 0.198 4.668 4.470 -0.000 0.000 0.284 332 S C -1.560 173.085 174.600 0.076 0.000 1.055 332 S CA -1.126 57.113 58.200 0.065 0.000 0.849 332 S CB 0.031 63.267 63.200 0.060 0.000 1.068 332 S HN 0.275 nan 8.310 nan 0.000 0.453 333 N N 1.210 119.950 118.700 0.067 0.000 2.256 333 N HA 0.061 4.801 4.740 -0.000 0.000 0.277 333 N C -0.560 174.998 175.510 0.080 0.000 1.362 333 N CA 0.487 53.576 53.050 0.066 0.000 0.861 333 N CB 0.014 38.530 38.487 0.048 0.000 1.136 333 N HN 0.602 nan 8.380 nan 0.000 0.492 334 L N 3.040 124.324 121.223 0.101 0.000 2.334 334 L HA 0.503 4.843 4.340 -0.000 0.000 0.273 334 L C -0.602 176.346 176.870 0.129 0.000 1.013 334 L CA -0.653 54.270 54.840 0.140 0.000 0.816 334 L CB 1.830 44.008 42.059 0.199 0.000 1.278 334 L HN 0.491 nan 8.230 nan 0.000 0.431 335 N N 3.189 121.976 118.700 0.146 0.000 2.336 335 N HA 0.670 5.410 4.740 -0.000 0.000 0.290 335 N C -1.553 174.055 175.510 0.164 0.000 1.058 335 N CA -0.553 52.537 53.050 0.067 0.000 0.865 335 N CB 1.316 39.825 38.487 0.036 0.000 1.581 335 N HN 0.550 nan 8.380 nan 0.000 0.480 336 F N 1.361 121.320 119.950 0.015 0.000 2.664 336 F HA 0.766 5.293 4.527 -0.000 0.000 0.317 336 F C -1.819 173.922 175.800 -0.098 0.000 1.108 336 F CA -1.244 56.750 58.000 -0.010 0.000 0.957 336 F CB 0.940 39.954 39.000 0.023 0.000 1.365 336 F HN 0.373 nan 8.300 nan 0.000 0.475 337 L N 1.939 123.227 121.223 0.108 0.000 2.319 337 L HA 0.993 5.333 4.340 -0.000 0.000 0.267 337 L C -1.206 175.611 176.870 -0.088 0.000 1.011 337 L CA -0.684 54.002 54.840 -0.256 0.000 0.818 337 L CB 1.991 43.697 42.059 -0.589 0.000 1.316 337 L HN 1.136 nan 8.230 nan 0.000 0.432 338 A N 2.931 125.558 122.820 -0.321 0.000 2.437 338 A HA 0.656 4.976 4.320 -0.000 0.000 0.293 338 A C -1.662 175.642 177.584 -0.467 0.000 1.038 338 A CA -0.289 51.632 52.037 -0.194 0.000 0.708 338 A CB 0.529 19.609 19.000 0.133 0.000 1.251 338 A HN 0.540 nan 8.150 nan 0.000 0.409 339 F N 1.703 121.513 119.950 -0.233 0.000 2.385 339 F HA 0.527 5.054 4.527 -0.000 0.000 0.360 339 F C 1.170 176.645 175.800 -0.542 0.000 1.122 339 F CA -0.147 57.643 58.000 -0.349 0.000 1.090 339 F CB 2.272 41.149 39.000 -0.206 0.000 1.150 339 F HN 0.683 nan 8.300 nan 0.000 0.472 340 G N 6.191 114.486 108.800 -0.841 0.000 2.741 340 G HA2 0.425 4.385 3.960 -0.000 0.000 0.336 340 G HA3 0.425 4.385 3.960 -0.000 0.000 0.336 340 G C -0.050 174.673 174.900 -0.295 0.000 1.022 340 G CA -0.509 44.073 45.100 -0.863 0.000 1.193 340 G HN 0.419 nan 8.290 nan 0.000 0.455 341 I N 1.432 121.868 120.570 -0.222 0.000 2.892 341 I HA -0.019 4.151 4.170 -0.000 0.000 0.287 341 I C 1.173 177.286 176.117 -0.007 0.000 1.205 341 I CA 0.126 61.314 61.300 -0.187 0.000 1.409 341 I CB 0.130 37.899 38.000 -0.385 0.000 1.367 341 I HN 0.592 nan 8.210 nan 0.000 0.597 342 N N 2.950 121.679 118.700 0.047 0.000 2.714 342 N HA -0.210 4.530 4.740 -0.000 0.000 0.252 342 N C 0.846 176.443 175.510 0.145 0.000 1.014 342 N CA 0.698 53.804 53.050 0.093 0.000 0.735 342 N CB -0.056 38.475 38.487 0.074 0.000 0.924 342 N HN 0.803 nan 8.380 nan 0.000 0.540 343 A N 0.092 123.039 122.820 0.213 0.000 2.238 343 A HA -0.029 4.291 4.320 -0.000 0.000 0.208 343 A C 0.854 178.541 177.584 0.172 0.000 1.177 343 A CA 0.364 52.591 52.037 0.317 0.000 0.804 343 A CB 0.095 19.482 19.000 0.645 0.000 0.823 343 A HN 0.546 nan 8.150 nan 0.000 0.482 344 E N 0.959 121.234 120.200 0.125 0.000 2.558 344 E HA -0.032 4.318 4.350 -0.000 0.000 0.255 344 E C 0.309 176.943 176.600 0.057 0.000 0.968 344 E CA 0.831 57.279 56.400 0.080 0.000 0.939 344 E CB -0.789 28.951 29.700 0.067 0.000 0.921 344 E HN 0.470 nan 8.360 nan 0.000 0.477 345 N N 2.159 120.879 118.700 0.035 0.000 2.753 345 N HA -0.300 4.440 4.740 -0.000 0.000 0.251 345 N C -0.413 175.104 175.510 0.013 0.000 1.097 345 N CA 0.660 53.722 53.050 0.020 0.000 0.786 345 N CB -0.812 37.691 38.487 0.027 0.000 1.137 345 N HN 0.642 nan 8.380 nan 0.000 0.566 346 N N 1.157 119.858 118.700 0.002 0.000 2.297 346 N HA 0.038 4.778 4.740 -0.000 0.000 0.232 346 N C -0.704 174.777 175.510 -0.048 0.000 1.311 346 N CA 0.851 53.892 53.050 -0.015 0.000 0.897 346 N CB 0.501 38.954 38.487 -0.057 0.000 1.137 346 N HN 0.155 nan 8.380 nan 0.000 0.449 347 Q N 1.408 121.182 119.800 -0.044 0.000 2.320 347 Q HA 0.219 4.559 4.340 -0.000 0.000 0.272 347 Q C -1.172 174.780 176.000 -0.079 0.000 1.023 347 Q CA -0.528 55.242 55.803 -0.055 0.000 0.855 347 Q CB 2.222 30.941 28.738 -0.033 0.000 1.367 347 Q HN 0.565 nan 8.270 nan 0.000 0.406 348 R N 1.606 122.068 120.500 -0.064 0.000 2.294 348 R HA 0.422 4.762 4.340 -0.000 0.000 0.319 348 R C -0.813 175.404 176.300 -0.138 0.000 0.984 348 R CA -0.047 56.010 56.100 -0.071 0.000 0.861 348 R CB 0.779 31.129 30.300 0.083 0.000 1.104 348 R HN 0.563 nan 8.270 nan 0.000 0.451 349 N N 3.153 121.580 118.700 -0.454 0.000 2.392 349 N HA 0.298 5.038 4.740 -0.000 0.000 0.283 349 N C -1.479 173.767 175.510 -0.440 0.000 1.003 349 N CA -0.427 52.312 53.050 -0.518 0.000 0.892 349 N CB 1.380 39.196 38.487 -1.117 0.000 1.193 349 N HN 0.246 nan 8.380 nan 0.000 0.487 350 F N 1.364 121.193 119.950 -0.203 0.000 2.458 350 F HA 0.385 4.912 4.527 -0.000 0.000 0.330 350 F C 1.140 176.898 175.800 -0.069 0.000 1.082 350 F CA -0.773 57.152 58.000 -0.125 0.000 0.995 350 F CB 1.491 40.351 39.000 -0.233 0.000 1.170 350 F HN 0.324 nan 8.300 nan 0.000 0.478 351 L N 1.498 122.798 121.223 0.127 0.000 2.357 351 L HA 0.360 4.700 4.340 -0.000 0.000 0.211 351 L C 0.826 177.720 176.870 0.039 0.000 1.075 351 L CA 0.239 55.132 54.840 0.088 0.000 0.830 351 L CB -0.239 41.870 42.059 0.082 0.000 0.996 351 L HN 0.626 nan 8.230 nan 0.000 0.467 352 A N -0.498 122.344 122.820 0.037 0.000 2.347 352 A HA 0.773 5.093 4.320 -0.000 0.000 0.301 352 A C 0.178 177.699 177.584 -0.106 0.000 1.163 352 A CA 0.071 52.087 52.037 -0.034 0.000 0.860 352 A CB 0.955 19.934 19.000 -0.034 0.000 1.367 352 A HN 0.251 nan 8.150 nan 0.000 0.461 353 G N -0.862 107.848 108.800 -0.150 0.000 2.756 353 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.678 353 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.678 353 G C 0.092 174.849 174.900 -0.239 0.000 1.349 353 G CA 0.217 45.172 45.100 -0.242 0.000 0.847 353 G HN 0.899 nan 8.290 nan 0.000 0.548 354 E N -0.054 119.981 120.200 -0.274 0.000 2.463 354 E HA 0.123 4.473 4.350 -0.000 0.000 0.193 354 E C 0.244 176.685 176.600 -0.264 0.000 1.041 354 E CA 0.410 56.678 56.400 -0.219 0.000 0.879 354 E CB -0.075 29.527 29.700 -0.163 0.000 0.997 354 E HN 0.361 nan 8.360 nan 0.000 0.478 355 K N 0.981 121.127 120.400 -0.424 0.000 2.468 355 K HA 0.136 4.456 4.320 -0.000 0.000 0.252 355 K C -0.997 175.324 176.600 -0.464 0.000 0.932 355 K CA -0.626 55.406 56.287 -0.426 0.000 0.794 355 K CB 1.655 33.853 32.500 -0.503 0.000 1.241 355 K HN -0.108 nan 8.250 nan 0.000 0.428 356 D N 0.930 121.194 120.400 -0.226 0.000 2.772 356 D HA -0.213 4.427 4.640 -0.000 0.000 0.233 356 D C -0.425 175.841 176.300 -0.056 0.000 1.143 356 D CA 1.024 54.958 54.000 -0.111 0.000 0.700 356 D CB -1.223 39.537 40.800 -0.066 0.000 1.076 356 D HN 0.625 nan 8.370 nan 0.000 0.430 357 N N -0.591 118.061 118.700 -0.079 0.000 2.425 357 N HA 0.337 5.077 4.740 -0.000 0.000 0.268 357 N C 1.473 176.986 175.510 0.005 0.000 0.991 357 N CA -0.600 52.434 53.050 -0.027 0.000 0.931 357 N CB 1.307 39.753 38.487 -0.069 0.000 1.130 357 N HN -0.115 nan 8.380 nan 0.000 0.493 358 V N 2.020 121.959 119.914 0.041 0.000 2.255 358 V HA -0.159 3.961 4.120 -0.000 0.000 0.243 358 V C 2.064 178.205 176.094 0.079 0.000 1.038 358 V CA 1.177 63.516 62.300 0.065 0.000 1.008 358 V CB -0.924 30.969 31.823 0.116 0.000 0.645 358 V HN 0.549 nan 8.190 nan 0.000 0.449 359 V N 0.368 120.342 119.914 0.099 0.000 2.527 359 V HA -0.304 3.816 4.120 -0.000 0.000 0.255 359 V C 2.619 178.762 176.094 0.082 0.000 1.081 359 V CA 2.569 64.943 62.300 0.123 0.000 1.092 359 V CB -1.215 30.663 31.823 0.092 0.000 0.673 359 V HN 0.508 nan 8.190 nan 0.000 0.470 360 R N -0.573 119.948 120.500 0.034 0.000 2.313 360 R HA 0.019 4.359 4.340 -0.000 0.000 0.199 360 R C 1.764 178.075 176.300 0.018 0.000 0.958 360 R CA 0.380 56.486 56.100 0.010 0.000 1.047 360 R CB 0.138 30.424 30.300 -0.023 0.000 0.955 360 R HN 0.542 nan 8.270 nan 0.000 0.481 361 Q N -0.046 119.774 119.800 0.034 0.000 2.217 361 Q HA 0.173 4.513 4.340 -0.000 0.000 0.217 361 Q C -0.281 175.742 176.000 0.039 0.000 0.844 361 Q CA -0.018 55.802 55.803 0.028 0.000 0.957 361 Q CB 1.179 29.931 28.738 0.023 0.000 1.127 361 Q HN 0.289 nan 8.270 nan 0.000 0.503 362 I N 2.266 122.872 120.570 0.060 0.000 2.379 362 I HA 0.087 4.256 4.170 -0.000 0.000 0.290 362 I C 0.659 176.805 176.117 0.049 0.000 1.063 362 I CA -0.096 61.240 61.300 0.059 0.000 1.351 362 I CB 0.183 38.238 38.000 0.091 0.000 1.410 362 I HN -0.036 nan 8.210 nan 0.000 0.505 363 E N 5.301 125.519 120.200 0.030 0.000 2.760 363 E HA -0.149 4.201 4.350 -0.000 0.000 0.268 363 E C 1.239 177.857 176.600 0.029 0.000 0.935 363 E CA 0.220 56.633 56.400 0.023 0.000 0.960 363 E CB 0.662 30.370 29.700 0.013 0.000 0.931 363 E HN 0.439 nan 8.360 nan 0.000 0.483 364 R N 1.994 122.509 120.500 0.026 0.000 2.119 364 R HA -0.252 4.088 4.340 -0.000 0.000 0.246 364 R C 1.777 178.094 176.300 0.028 0.000 1.146 364 R CA 1.704 57.821 56.100 0.028 0.000 0.962 364 R CB -0.022 30.288 30.300 0.018 0.000 0.863 364 R HN 0.548 nan 8.270 nan 0.000 0.442 365 Q N -0.476 119.334 119.800 0.017 0.000 2.230 365 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 365 Q C 2.086 178.090 176.000 0.007 0.000 0.963 365 Q CA 0.893 56.703 55.803 0.011 0.000 0.866 365 Q CB -0.077 28.663 28.738 0.004 0.000 0.931 365 Q HN 0.231 nan 8.270 nan 0.000 0.452 366 V N 0.393 120.310 119.914 0.004 0.000 3.052 366 V HA -0.107 4.013 4.120 -0.000 0.000 0.254 366 V C 2.057 178.137 176.094 -0.024 0.000 1.100 366 V CA 0.862 63.151 62.300 -0.018 0.000 1.112 366 V CB -0.343 31.465 31.823 -0.026 0.000 0.738 366 V HN 0.278 nan 8.190 nan 0.000 0.469 367 Q N 0.077 119.905 119.800 0.048 0.000 2.230 367 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 367 Q C 2.217 178.320 176.000 0.173 0.000 0.963 367 Q CA 1.408 57.308 55.803 0.162 0.000 0.866 367 Q CB 0.042 28.919 28.738 0.232 0.000 0.931 367 Q HN 0.718 nan 8.270 nan 0.000 0.452 368 E N -0.139 120.113 120.200 0.086 0.000 2.435 368 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 368 E C 1.431 178.046 176.600 0.024 0.000 1.029 368 E CA 0.194 56.636 56.400 0.071 0.000 0.865 368 E CB 0.273 30.000 29.700 0.044 0.000 0.833 368 E HN 0.295 nan 8.360 nan 0.000 0.510 369 L N -0.461 120.748 121.223 -0.023 0.000 2.354 369 L HA 0.179 4.519 4.340 -0.000 0.000 0.212 369 L C 2.179 178.979 176.870 -0.118 0.000 1.091 369 L CA 0.743 55.549 54.840 -0.056 0.000 0.828 369 L CB 0.119 42.144 42.059 -0.057 0.000 0.973 369 L HN 0.150 nan 8.230 nan 0.000 0.461 370 A N -0.296 122.382 122.820 -0.237 0.000 1.887 370 A HA 0.116 4.436 4.320 -0.000 0.000 0.212 370 A C 0.666 177.995 177.584 -0.425 0.000 1.198 370 A CA 0.389 52.166 52.037 -0.434 0.000 0.628 370 A CB -0.300 18.243 19.000 -0.763 0.000 0.847 370 A HN 0.168 nan 8.150 nan 0.000 0.449 371 F N 0.142 120.087 119.950 -0.008 0.000 2.385 371 F HA 0.379 4.906 4.527 -0.000 0.000 0.336 371 F C -1.568 174.227 175.800 -0.009 0.000 1.100 371 F CA -2.284 55.711 58.000 -0.009 0.000 1.116 371 F CB 0.735 39.730 39.000 -0.008 0.000 1.166 371 F HN 0.032 nan 8.300 nan 0.000 0.511 372 P HA 0.140 nan 4.420 nan 0.000 0.261 372 P C -0.165 177.187 177.300 0.087 0.000 1.650 372 P CA 0.319 63.477 63.100 0.096 0.000 0.846 372 P CB -0.150 31.592 31.700 0.069 0.000 1.758 373 G N -0.981 107.888 108.800 0.114 0.000 2.695 373 G HA2 0.366 4.326 3.960 -0.000 0.000 0.290 373 G HA3 0.366 4.326 3.960 -0.000 0.000 0.290 373 G C -1.242 173.700 174.900 0.070 0.000 1.410 373 G CA -0.490 44.654 45.100 0.073 0.000 0.844 373 G HN 0.035 nan 8.290 nan 0.000 0.478 374 S N -0.422 115.302 115.700 0.040 0.000 2.549 374 S HA 0.383 4.853 4.470 -0.000 0.000 0.283 374 S C 1.825 176.450 174.600 0.041 0.000 1.320 374 S CA 0.549 58.769 58.200 0.033 0.000 1.058 374 S CB 0.885 64.095 63.200 0.017 0.000 0.882 374 S HN 1.587 nan 8.310 nan 0.000 0.498 375 A N 3.937 126.783 122.820 0.044 0.000 2.131 375 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 375 A C 2.117 179.717 177.584 0.027 0.000 1.158 375 A CA 1.399 53.465 52.037 0.049 0.000 0.665 375 A CB -0.482 18.542 19.000 0.040 0.000 0.795 375 A HN 0.923 nan 8.150 nan 0.000 0.460 376 Q N -0.957 118.852 119.800 0.015 0.000 2.302 376 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 376 Q C 0.898 176.894 176.000 -0.005 0.000 0.936 376 Q CA 0.937 56.742 55.803 0.004 0.000 0.886 376 Q CB 0.064 28.803 28.738 0.002 0.000 0.986 376 Q HN 0.611 nan 8.270 nan 0.000 0.487 377 D N -0.148 120.250 120.400 -0.004 0.000 2.077 377 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 377 D C 2.002 178.279 176.300 -0.038 0.000 0.986 377 D CA 1.036 55.026 54.000 -0.018 0.000 0.829 377 D CB -0.233 40.560 40.800 -0.011 0.000 0.983 377 D HN 0.007 nan 8.370 nan 0.000 0.453 378 V N 1.100 120.990 119.914 -0.039 0.000 2.252 378 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 378 V C 2.456 178.505 176.094 -0.074 0.000 1.056 378 V CA 2.201 64.447 62.300 -0.091 0.000 1.022 378 V CB -0.623 31.164 31.823 -0.060 0.000 0.641 378 V HN 0.274 nan 8.190 nan 0.000 0.445 379 E N 0.250 120.431 120.200 -0.033 0.000 2.097 379 E HA -0.314 4.036 4.350 -0.000 0.000 0.196 379 E C 2.417 178.993 176.600 -0.040 0.000 1.000 379 E CA 1.934 58.316 56.400 -0.029 0.000 0.804 379 E CB -0.196 29.497 29.700 -0.012 0.000 0.740 379 E HN 0.508 nan 8.360 nan 0.000 0.454 380 R N 0.311 120.788 120.500 -0.038 0.000 2.075 380 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 380 R C 2.597 178.866 176.300 -0.052 0.000 1.126 380 R CA 1.171 57.247 56.100 -0.039 0.000 0.963 380 R CB -0.313 29.968 30.300 -0.031 0.000 0.858 380 R HN 0.320 nan 8.270 nan 0.000 0.435 381 L N 0.958 122.141 121.223 -0.067 0.000 1.976 381 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 381 L C 2.172 178.990 176.870 -0.087 0.000 1.071 381 L CA 1.703 56.493 54.840 -0.082 0.000 0.746 381 L CB -0.510 41.482 42.059 -0.112 0.000 0.890 381 L HN 0.374 nan 8.230 nan 0.000 0.432 382 L N 0.004 121.167 121.223 -0.099 0.000 2.263 382 L HA -0.241 4.099 4.340 -0.000 0.000 0.216 382 L C 2.020 178.844 176.870 -0.076 0.000 1.111 382 L CA 1.095 55.879 54.840 -0.093 0.000 0.773 382 L CB -0.544 41.462 42.059 -0.089 0.000 0.906 382 L HN 0.227 nan 8.230 nan 0.000 0.439 383 K N 0.125 120.486 120.400 -0.065 0.000 2.437 383 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 383 K C 1.600 178.167 176.600 -0.054 0.000 1.024 383 K CA 0.411 56.663 56.287 -0.057 0.000 1.148 383 K CB 0.116 32.589 32.500 -0.046 0.000 0.860 383 K HN 0.071 nan 8.250 nan 0.000 0.515 384 K N -0.458 119.907 120.400 -0.058 0.000 2.314 384 K HA -0.001 4.319 4.320 -0.000 0.000 0.198 384 K C 0.178 176.746 176.600 -0.054 0.000 1.045 384 K CA 0.311 56.567 56.287 -0.051 0.000 0.988 384 K CB 0.420 32.889 32.500 -0.051 0.000 0.783 384 K HN -0.010 nan 8.250 nan 0.000 0.484 385 Q N 1.627 121.387 119.800 -0.066 0.000 2.503 385 Q HA 0.072 4.412 4.340 -0.000 0.000 0.227 385 Q C 0.361 176.313 176.000 -0.080 0.000 1.109 385 Q CA 0.006 55.766 55.803 -0.072 0.000 0.922 385 Q CB 0.555 29.242 28.738 -0.085 0.000 1.249 385 Q HN -0.057 nan 8.270 nan 0.000 0.530 386 R N 1.431 121.895 120.500 -0.061 0.000 2.193 386 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 386 R C 0.084 176.343 176.300 -0.069 0.000 1.110 386 R CA 0.516 56.582 56.100 -0.057 0.000 0.988 386 R CB 0.032 30.314 30.300 -0.031 0.000 0.871 386 R HN 0.489 nan 8.270 nan 0.000 0.458 387 E N 0.836 120.996 120.200 -0.065 0.000 2.371 387 E HA 0.128 4.478 4.350 -0.000 0.000 0.257 387 E C -0.733 175.761 176.600 -0.178 0.000 1.134 387 E CA 0.057 56.419 56.400 -0.064 0.000 0.919 387 E CB 0.900 30.592 29.700 -0.013 0.000 1.025 387 E HN -0.024 nan 8.360 nan 0.000 0.438 388 S N 1.544 117.106 115.700 -0.230 0.000 2.538 388 S HA 0.425 4.895 4.470 -0.000 0.000 0.288 388 S C -0.554 173.690 174.600 -0.595 0.000 1.108 388 S CA -0.609 57.235 58.200 -0.594 0.000 0.971 388 S CB 0.769 63.520 63.200 -0.748 0.000 1.041 388 S HN 0.733 nan 8.310 nan 0.000 0.483 389 Y N -0.336 119.564 120.300 -0.666 0.000 2.728 389 Y HA -0.369 4.181 4.550 -0.000 0.000 0.481 389 Y C 0.046 175.568 175.900 -0.631 0.000 1.108 389 Y CA 1.686 59.234 58.100 -0.921 0.000 2.921 389 Y CB -1.170 36.665 38.460 -1.041 0.000 1.016 389 Y HN 0.640 nan 8.280 nan 0.000 0.580 390 F N 1.304 121.334 119.950 0.132 0.000 2.388 390 F HA 0.563 5.090 4.527 -0.000 0.000 0.358 390 F C 0.232 176.065 175.800 0.054 0.000 1.122 390 F CA -0.771 57.313 58.000 0.140 0.000 1.056 390 F CB 1.428 40.571 39.000 0.239 0.000 1.155 390 F HN 0.020 nan 8.300 nan 0.000 0.461 391 V N -0.549 119.397 119.914 0.054 0.000 2.960 391 V HA 0.635 4.755 4.120 -0.000 0.000 0.315 391 V C -1.097 174.714 176.094 -0.473 0.000 1.087 391 V CA -0.895 61.288 62.300 -0.194 0.000 0.982 391 V CB 2.063 33.807 31.823 -0.133 0.000 1.039 391 V HN 0.647 nan 8.190 nan 0.000 0.437 392 D N 1.881 121.812 120.400 -0.782 0.000 2.249 392 D HA 0.673 5.313 4.640 -0.000 0.000 0.246 392 D C 0.284 176.407 176.300 -0.295 0.000 1.114 392 D CA 0.271 53.830 54.000 -0.735 0.000 0.854 392 D CB 1.642 41.880 40.800 -0.937 0.000 1.132 392 D HN 1.140 nan 8.370 nan 0.000 0.461 393 A N 0.000 122.716 122.820 -0.173 0.000 2.254 393 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 393 A CA 0.000 51.986 52.037 -0.085 0.000 0.836 393 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486