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 1z6x_1_B DATA FIRST_RESID 4 DATA SEQUENCE TISSLFSRLF GKKQMRILMV GLDAAGKTTI LYKLKLGEIV TTIPTIGFNV DATA SEQUENCE ETVEYKNICF TVWDVGGQDR IRPLWKHYFQ NTQGLIFVVD SNDRERIQEV DATA SEQUENCE ADELQKMLLV DELRDAVLLL FANKQDLPNA MAISEMTDKL GLQSLRNRTW DATA SEQUENCE YVQATCATQG TGLYEGLDWL SNELS 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.879 174.700 0.298 0.000 1.109 4 T CA 0.000 62.180 62.100 0.134 0.000 1.349 4 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 5 I N 2.177 122.854 120.570 0.178 0.000 2.400 5 I HA 0.037 4.212 4.170 0.010 0.000 0.248 5 I C 2.473 178.625 176.117 0.058 0.000 1.109 5 I CA 1.646 63.008 61.300 0.104 0.000 1.425 5 I CB 0.027 38.096 38.000 0.114 0.000 1.094 5 I HN 0.377 nan 8.210 nan 0.000 0.425 6 S N -0.135 115.566 115.700 0.001 0.000 2.442 6 S HA -0.173 4.303 4.470 0.010 0.000 0.236 6 S C 2.116 176.726 174.600 0.017 0.000 1.007 6 S CA 1.151 59.298 58.200 -0.088 0.000 0.965 6 S CB -0.869 62.275 63.200 -0.095 0.000 0.773 6 S HN 0.534 nan 8.310 nan 0.000 0.504 7 S N 2.415 118.123 115.700 0.013 0.000 2.387 7 S HA 0.099 4.575 4.470 0.010 0.000 0.226 7 S C 1.875 176.430 174.600 -0.075 0.000 1.026 7 S CA 0.705 58.898 58.200 -0.011 0.000 0.972 7 S CB -0.924 62.294 63.200 0.030 0.000 0.814 7 S HN 0.518 nan 8.310 nan 0.000 0.477 8 L N -0.665 120.473 121.223 -0.142 0.000 2.131 8 L HA 0.010 4.356 4.340 0.010 0.000 0.210 8 L C 1.913 178.546 176.870 -0.394 0.000 1.092 8 L CA 1.308 55.937 54.840 -0.352 0.000 0.759 8 L CB -0.525 41.155 42.059 -0.631 0.000 0.903 8 L HN 0.286 nan 8.230 nan 0.000 0.435 9 F N -0.898 119.016 119.950 -0.061 0.000 2.765 9 F HA -0.007 4.526 4.527 0.011 0.000 0.302 9 F C 2.529 178.262 175.800 -0.112 0.000 1.111 9 F CA 0.516 58.536 58.000 0.033 0.000 1.359 9 F CB -0.378 38.712 39.000 0.149 0.000 1.097 9 F HN 0.061 nan 8.300 nan 0.000 0.577 10 S N -0.312 115.254 115.700 -0.222 0.000 2.522 10 S HA -0.056 4.419 4.470 0.010 0.000 0.227 10 S C 1.921 176.391 174.600 -0.217 0.000 0.986 10 S CA 0.114 57.909 58.200 -0.675 0.000 0.929 10 S CB -0.315 62.585 63.200 -0.500 0.000 0.769 10 S HN 0.351 nan 8.310 nan 0.000 0.529 11 R N 1.116 121.564 120.500 -0.088 0.000 2.096 11 R HA 0.161 4.507 4.340 0.010 0.000 0.235 11 R C 1.819 178.159 176.300 0.066 0.000 1.127 11 R CA 1.425 57.514 56.100 -0.019 0.000 0.968 11 R CB -0.639 29.625 30.300 -0.060 0.000 0.861 11 R HN 0.409 nan 8.270 nan 0.000 0.440 12 L N 0.115 121.423 121.223 0.141 0.000 2.552 12 L HA 0.092 4.438 4.340 0.010 0.000 0.227 12 L C 0.638 177.714 176.870 0.343 0.000 1.146 12 L CA -0.165 54.806 54.840 0.219 0.000 0.858 12 L CB -0.261 41.960 42.059 0.271 0.000 0.969 12 L HN 0.053 nan 8.230 nan 0.000 0.451 13 F N 0.418 120.414 119.950 0.077 0.000 2.553 13 F HA 0.148 4.680 4.527 0.008 0.000 0.356 13 F C 1.657 177.465 175.800 0.014 0.000 1.142 13 F CA 0.478 58.499 58.000 0.035 0.000 1.322 13 F CB 0.708 39.725 39.000 0.029 0.000 1.126 13 F HN 0.186 nan 8.300 nan 0.000 0.599 14 G N 1.914 110.764 108.800 0.082 0.000 2.225 14 G HA2 -0.265 3.701 3.960 0.010 0.000 0.254 14 G HA3 -0.265 3.701 3.960 0.010 0.000 0.254 14 G C 0.194 175.102 174.900 0.013 0.000 0.988 14 G CA -0.308 44.810 45.100 0.030 0.000 0.625 14 G HN 0.517 nan 8.290 nan 0.000 0.527 15 K N 0.591 121.010 120.400 0.031 0.000 2.107 15 K HA 0.392 4.718 4.320 0.010 0.000 0.251 15 K C 0.637 177.228 176.600 -0.015 0.000 1.012 15 K CA -0.570 55.726 56.287 0.015 0.000 0.920 15 K CB 0.869 33.391 32.500 0.037 0.000 1.033 15 K HN 0.198 nan 8.250 nan 0.000 0.478 16 K N 1.915 122.306 120.400 -0.016 0.000 2.436 16 K HA -0.094 4.232 4.320 0.010 0.000 0.275 16 K C -0.117 176.466 176.600 -0.028 0.000 0.999 16 K CA 0.084 56.355 56.287 -0.026 0.000 0.980 16 K CB 0.572 33.060 32.500 -0.020 0.000 0.919 16 K HN 0.366 nan 8.250 nan 0.000 0.484 17 Q N 4.510 124.286 119.800 -0.040 0.000 2.478 17 Q HA -0.088 4.258 4.340 0.010 0.000 0.323 17 Q C -0.729 175.255 176.000 -0.027 0.000 1.087 17 Q CA 1.046 56.825 55.803 -0.040 0.000 1.056 17 Q CB 0.136 28.850 28.738 -0.041 0.000 1.018 17 Q HN 0.498 nan 8.270 nan 0.000 0.387 18 M N 2.428 122.010 119.600 -0.029 0.000 2.690 18 M HA 0.672 5.158 4.480 0.010 0.000 0.302 18 M C -0.942 175.316 176.300 -0.070 0.000 1.234 18 M CA -1.122 54.157 55.300 -0.035 0.000 0.853 18 M CB 2.322 34.906 32.600 -0.027 0.000 1.748 18 M HN 0.499 nan 8.290 nan 0.000 0.469 19 R N 1.302 121.757 120.500 -0.074 0.000 2.740 19 R HA 0.769 5.115 4.340 0.010 0.000 0.282 19 R C -1.997 174.198 176.300 -0.176 0.000 0.969 19 R CA -0.605 55.426 56.100 -0.115 0.000 0.918 19 R CB 1.691 31.986 30.300 -0.009 0.000 1.175 19 R HN 0.984 nan 8.270 nan 0.000 0.464 20 I N 5.531 125.904 120.570 -0.328 0.000 2.405 20 I HA 0.233 4.409 4.170 0.010 0.000 0.280 20 I C -0.249 175.767 176.117 -0.167 0.000 1.027 20 I CA -0.667 60.455 61.300 -0.297 0.000 1.161 20 I CB 1.618 39.279 38.000 -0.565 0.000 1.300 20 I HN 0.482 nan 8.210 nan 0.000 0.463 21 L N 7.107 128.269 121.223 -0.101 0.000 2.319 21 L HA 0.422 4.768 4.340 0.010 0.000 0.280 21 L C -0.317 176.470 176.870 -0.138 0.000 1.099 21 L CA -0.052 54.700 54.840 -0.146 0.000 0.828 21 L CB 1.085 43.055 42.059 -0.149 0.000 1.150 21 L HN 0.666 nan 8.230 nan 0.000 0.442 22 M N 7.093 126.593 119.600 -0.166 0.000 2.125 22 M HA 0.509 4.995 4.480 0.010 0.000 0.321 22 M C -1.229 174.904 176.300 -0.278 0.000 0.983 22 M CA -0.563 54.666 55.300 -0.120 0.000 0.934 22 M CB 1.253 33.878 32.600 0.040 0.000 1.542 22 M HN 0.386 nan 8.290 nan 0.000 0.424 23 V N 1.789 121.491 119.914 -0.353 0.000 3.158 23 V HA 1.139 5.265 4.120 0.010 0.000 0.311 23 V C -0.177 175.429 176.094 -0.812 0.000 1.181 23 V CA -0.243 61.753 62.300 -0.508 0.000 1.054 23 V CB 1.356 32.903 31.823 -0.459 0.000 1.085 23 V HN 1.036 nan 8.190 nan 0.000 0.446 24 G N -0.307 108.074 108.800 -0.698 0.000 2.328 24 G HA2 0.387 4.352 3.960 0.010 0.000 0.299 24 G HA3 0.387 4.352 3.960 0.010 0.000 0.299 24 G C -1.351 173.428 174.900 -0.202 0.000 1.435 24 G CA -0.959 43.709 45.100 -0.720 0.000 0.865 24 G HN 0.941 nan 8.290 nan 0.000 0.601 25 L N 1.358 122.548 121.223 -0.054 0.000 2.499 25 L HA 0.169 4.515 4.340 0.010 0.000 0.281 25 L C 1.044 177.925 176.870 0.018 0.000 1.234 25 L CA -0.370 54.493 54.840 0.038 0.000 0.839 25 L CB 0.240 42.344 42.059 0.075 0.000 1.104 25 L HN 0.797 nan 8.230 nan 0.000 0.500 26 D N 2.042 122.466 120.400 0.041 0.000 2.443 26 D HA 0.107 4.752 4.640 0.010 0.000 0.239 26 D C 0.682 176.996 176.300 0.024 0.000 1.136 26 D CA 0.441 54.462 54.000 0.035 0.000 0.879 26 D CB 1.202 42.028 40.800 0.044 0.000 1.195 26 D HN 0.799 nan 8.370 nan 0.000 0.443 27 A N 1.131 123.960 122.820 0.015 0.000 3.080 27 A HA -0.180 4.146 4.320 0.010 0.000 0.254 27 A C 1.633 179.223 177.584 0.009 0.000 1.277 27 A CA 1.288 53.331 52.037 0.010 0.000 1.065 27 A CB -2.069 16.938 19.000 0.013 0.000 1.160 27 A HN 1.198 nan 8.150 nan 0.000 0.886 28 A N -1.341 121.484 122.820 0.007 0.000 1.969 28 A HA 0.430 4.756 4.320 0.010 0.000 0.218 28 A C 2.581 180.170 177.584 0.008 0.000 1.169 28 A CA 2.348 54.392 52.037 0.012 0.000 0.635 28 A CB -0.456 18.544 19.000 0.000 0.000 0.810 28 A HN 2.718 nan 8.150 nan 0.000 0.445 29 G N -1.683 107.116 108.800 -0.001 0.000 2.321 29 G HA2 -0.136 3.830 3.960 0.010 0.000 0.174 29 G HA3 -0.136 3.830 3.960 0.010 0.000 0.174 29 G C 0.769 175.667 174.900 -0.004 0.000 1.008 29 G CA 0.462 45.557 45.100 -0.008 0.000 0.739 29 G HN 0.390 nan 8.290 nan 0.000 0.502 30 K N 0.173 120.573 120.400 0.000 0.000 2.015 30 K HA -0.159 4.167 4.320 0.010 0.000 0.216 30 K C 2.490 179.098 176.600 0.013 0.000 1.052 30 K CA 2.182 58.475 56.287 0.009 0.000 0.937 30 K CB -0.491 32.001 32.500 -0.013 0.000 0.719 30 K HN 0.288 nan 8.250 nan 0.000 0.446 31 T N 0.868 115.427 114.554 0.008 0.000 2.720 31 T HA -0.151 4.205 4.350 0.010 0.000 0.268 31 T C 1.994 176.707 174.700 0.022 0.000 1.037 31 T CA 1.970 64.077 62.100 0.012 0.000 1.144 31 T CB -0.487 68.379 68.868 -0.005 0.000 0.864 31 T HN 0.336 nan 8.240 nan 0.000 0.444 32 T N 2.232 116.789 114.554 0.005 0.000 2.684 32 T HA -0.021 4.335 4.350 0.010 0.000 0.267 32 T C 1.980 176.700 174.700 0.033 0.000 1.036 32 T CA 1.073 63.182 62.100 0.015 0.000 1.148 32 T CB -0.454 68.407 68.868 -0.013 0.000 0.863 32 T HN 0.336 nan 8.240 nan 0.000 0.436 33 I N 0.733 121.298 120.570 -0.009 0.000 2.099 33 I HA -0.164 4.012 4.170 0.010 0.000 0.239 33 I C 2.445 178.545 176.117 -0.029 0.000 1.066 33 I CA 1.285 62.560 61.300 -0.041 0.000 1.324 33 I CB -0.542 37.430 38.000 -0.047 0.000 1.037 33 I HN 0.185 nan 8.210 nan 0.000 0.401 34 L N -0.390 120.824 121.223 -0.015 0.000 2.064 34 L HA -0.319 4.027 4.340 0.010 0.000 0.216 34 L C 2.729 179.578 176.870 -0.036 0.000 1.077 34 L CA 1.851 56.654 54.840 -0.060 0.000 0.766 34 L CB -0.713 41.341 42.059 -0.009 0.000 0.890 34 L HN 0.307 nan 8.230 nan 0.000 0.435 35 Y N 0.599 120.847 120.300 -0.087 0.000 2.242 35 Y HA -0.192 4.360 4.550 0.004 0.000 0.291 35 Y C 2.502 178.356 175.900 -0.077 0.000 1.137 35 Y CA 1.355 59.412 58.100 -0.072 0.000 1.181 35 Y CB 0.037 38.468 38.460 -0.050 0.000 0.989 35 Y HN -0.040 nan 8.280 nan 0.000 0.527 36 K N 0.438 120.827 120.400 -0.018 0.000 2.283 36 K HA -0.067 4.258 4.320 0.010 0.000 0.202 36 K C 2.006 178.525 176.600 -0.136 0.000 1.048 36 K CA 0.877 57.116 56.287 -0.081 0.000 0.948 36 K CB -0.574 31.904 32.500 -0.037 0.000 0.742 36 K HN 0.438 nan 8.250 nan 0.000 0.458 37 L N 0.606 121.728 121.223 -0.169 0.000 2.131 37 L HA -0.128 4.218 4.340 0.010 0.000 0.210 37 L C 0.577 177.320 176.870 -0.210 0.000 1.092 37 L CA 0.795 55.514 54.840 -0.201 0.000 0.759 37 L CB -0.630 41.206 42.059 -0.372 0.000 0.903 37 L HN 0.202 nan 8.230 nan 0.000 0.435 38 K N -0.358 119.889 120.400 -0.255 0.000 3.077 38 K HA -0.201 4.125 4.320 0.010 0.000 0.264 38 K C 0.582 177.071 176.600 -0.185 0.000 1.008 38 K CA 0.150 56.298 56.287 -0.233 0.000 0.740 38 K CB -1.529 30.860 32.500 -0.184 0.000 1.273 38 K HN 0.328 nan 8.250 nan 0.000 0.477 39 L N -1.349 119.744 121.223 -0.216 0.000 2.701 39 L HA 0.244 4.590 4.340 0.010 0.000 0.238 39 L C 1.036 177.907 176.870 0.002 0.000 1.106 39 L CA 0.354 55.074 54.840 -0.200 0.000 0.898 39 L CB 0.982 42.793 42.059 -0.413 0.000 1.188 39 L HN 0.464 nan 8.230 nan 0.000 0.508 40 G N 0.015 108.798 108.800 -0.028 0.000 2.322 40 G HA2 0.149 4.115 3.960 0.010 0.000 0.295 40 G HA3 0.149 4.115 3.960 0.010 0.000 0.295 40 G C -1.542 173.366 174.900 0.013 0.000 1.369 40 G CA -0.789 44.331 45.100 0.033 0.000 0.821 40 G HN 0.062 nan 8.290 nan 0.000 0.536 41 E N -0.725 119.500 120.200 0.041 0.000 2.404 41 E HA 0.433 4.789 4.350 0.010 0.000 0.261 41 E C -0.432 176.204 176.600 0.060 0.000 1.074 41 E CA -0.364 56.069 56.400 0.055 0.000 0.917 41 E CB 1.411 31.143 29.700 0.055 0.000 0.965 41 E HN 0.360 nan 8.360 nan 0.000 0.433 42 I N 2.651 123.266 120.570 0.074 0.000 2.297 42 I HA 0.135 4.311 4.170 0.010 0.000 0.291 42 I C -0.741 175.407 176.117 0.053 0.000 1.033 42 I CA -0.919 60.420 61.300 0.066 0.000 1.253 42 I CB 1.360 39.406 38.000 0.077 0.000 1.396 42 I HN 0.340 nan 8.210 nan 0.000 0.476 43 V N 5.598 125.542 119.914 0.050 0.000 2.370 43 V HA 0.285 4.411 4.120 0.010 0.000 0.283 43 V C 0.310 176.422 176.094 0.030 0.000 1.023 43 V CA -0.415 61.908 62.300 0.039 0.000 0.857 43 V CB 1.723 33.571 31.823 0.042 0.000 0.985 43 V HN 0.674 nan 8.190 nan 0.000 0.443 44 T N 4.180 118.743 114.554 0.016 0.000 2.806 44 T HA 0.527 4.883 4.350 0.010 0.000 0.290 44 T C 0.212 174.904 174.700 -0.013 0.000 0.966 44 T CA -0.294 61.805 62.100 -0.001 0.000 1.060 44 T CB 0.922 69.787 68.868 -0.005 0.000 0.927 44 T HN 0.907 nan 8.240 nan 0.000 0.485 45 T N 0.535 115.066 114.554 -0.038 0.000 2.887 45 T HA 0.721 5.077 4.350 0.010 0.000 0.288 45 T C -0.389 174.238 174.700 -0.122 0.000 1.021 45 T CA -0.929 61.139 62.100 -0.054 0.000 1.000 45 T CB 0.924 69.775 68.868 -0.029 0.000 1.034 45 T HN 0.468 nan 8.240 nan 0.000 0.467 46 I N 3.259 123.769 120.570 -0.101 0.000 2.555 46 I HA 0.280 4.456 4.170 0.010 0.000 0.275 46 I C -1.868 174.200 176.117 -0.082 0.000 1.082 46 I CA -2.315 58.910 61.300 -0.124 0.000 1.167 46 I CB 1.411 39.377 38.000 -0.057 0.000 1.312 46 I HN 0.461 nan 8.210 nan 0.000 0.493 47 P HA -0.096 nan 4.420 nan 0.000 0.215 47 P C 0.257 177.609 177.300 0.087 0.000 1.153 47 P CA 1.479 64.597 63.100 0.030 0.000 0.853 47 P CB 0.154 31.941 31.700 0.145 0.000 0.788 48 T N -4.257 110.375 114.554 0.131 0.000 2.816 48 T HA 0.490 4.846 4.350 0.010 0.000 0.299 48 T C -0.253 174.500 174.700 0.089 0.000 1.230 48 T CA -1.024 61.134 62.100 0.096 0.000 1.007 48 T CB 0.742 69.663 68.868 0.088 0.000 1.289 48 T HN -0.277 nan 8.240 nan 0.000 0.508 49 I N 2.099 122.699 120.570 0.051 0.000 2.906 49 I HA 0.273 4.449 4.170 0.010 0.000 0.302 49 I C 1.629 177.782 176.117 0.060 0.000 1.220 49 I CA 1.986 63.311 61.300 0.042 0.000 1.441 49 I CB -0.358 37.654 38.000 0.021 0.000 1.336 49 I HN 1.199 nan 8.210 nan 0.000 0.565 50 G N 4.939 113.779 108.800 0.066 0.000 2.159 50 G HA2 -0.298 3.668 3.960 0.010 0.000 0.256 50 G HA3 -0.298 3.668 3.960 0.010 0.000 0.256 50 G C 0.009 175.004 174.900 0.159 0.000 0.977 50 G CA -0.172 44.973 45.100 0.075 0.000 0.652 50 G HN 0.558 nan 8.290 nan 0.000 0.531 51 F N 1.844 121.766 119.950 -0.047 0.000 2.824 51 F HA 0.574 5.109 4.527 0.013 0.000 0.375 51 F C -0.646 175.140 175.800 -0.024 0.000 1.190 51 F CA -2.367 55.589 58.000 -0.074 0.000 1.180 51 F CB 0.397 39.318 39.000 -0.133 0.000 1.477 51 F HN -0.024 nan 8.300 nan 0.000 0.542 52 N N 3.110 121.786 118.700 -0.040 0.000 2.438 52 N HA 0.570 5.316 4.740 0.010 0.000 0.282 52 N C -1.071 174.337 175.510 -0.170 0.000 1.037 52 N CA -0.314 52.660 53.050 -0.127 0.000 0.942 52 N CB 2.309 40.794 38.487 -0.005 0.000 1.136 52 N HN 0.177 nan 8.380 nan 0.000 0.481 53 V N 1.705 121.479 119.914 -0.234 0.000 2.540 53 V HA 0.346 4.471 4.120 0.010 0.000 0.302 53 V C -0.211 175.873 176.094 -0.017 0.000 1.035 53 V CA -0.725 61.506 62.300 -0.115 0.000 0.873 53 V CB 1.633 33.325 31.823 -0.219 0.000 0.992 53 V HN 0.592 nan 8.190 nan 0.000 0.428 54 E N 2.264 122.488 120.200 0.039 0.000 2.171 54 E HA 0.627 4.983 4.350 0.010 0.000 0.271 54 E C -0.957 175.685 176.600 0.070 0.000 0.916 54 E CA -0.480 55.947 56.400 0.045 0.000 0.774 54 E CB 2.097 31.822 29.700 0.041 0.000 1.128 54 E HN 0.644 nan 8.360 nan 0.000 0.403 55 T N 1.821 116.422 114.554 0.077 0.000 2.841 55 T HA 0.333 4.689 4.350 0.010 0.000 0.285 55 T C -0.699 174.065 174.700 0.107 0.000 0.991 55 T CA -0.590 61.575 62.100 0.108 0.000 0.966 55 T CB 1.233 70.170 68.868 0.115 0.000 0.962 55 T HN 0.104 nan 8.240 nan 0.000 0.438 56 V N 3.571 123.572 119.914 0.144 0.000 2.384 56 V HA 0.406 4.532 4.120 0.010 0.000 0.287 56 V C 0.043 176.270 176.094 0.221 0.000 1.020 56 V CA -0.746 61.633 62.300 0.132 0.000 0.850 56 V CB 1.532 33.365 31.823 0.016 0.000 0.987 56 V HN 0.846 nan 8.190 nan 0.000 0.436 57 E N 3.193 123.497 120.200 0.174 0.000 2.101 57 E HA 0.234 4.590 4.350 0.010 0.000 0.260 57 E C -0.500 176.241 176.600 0.235 0.000 0.897 57 E CA -0.437 56.073 56.400 0.184 0.000 0.744 57 E CB 1.336 31.103 29.700 0.112 0.000 1.140 57 E HN 0.706 nan 8.360 nan 0.000 0.419 58 Y N 4.689 125.071 120.300 0.136 0.000 2.144 58 Y HA -0.104 4.450 4.550 0.008 0.000 0.272 58 Y C 1.480 177.457 175.900 0.128 0.000 1.092 58 Y CA 1.720 59.908 58.100 0.147 0.000 1.080 58 Y CB 0.336 38.918 38.460 0.204 0.000 1.003 58 Y HN 0.277 nan 8.280 nan 0.000 0.477 59 K N -1.135 119.206 120.400 -0.098 0.000 2.797 59 K HA 0.066 4.392 4.320 0.010 0.000 0.234 59 K C 1.242 177.723 176.600 -0.198 0.000 1.805 59 K CA 0.843 56.976 56.287 -0.256 0.000 1.052 59 K CB -0.894 31.267 32.500 -0.564 0.000 2.129 59 K HN 0.413 nan 8.250 nan 0.000 0.412 60 N N 0.825 119.357 118.700 -0.280 0.000 2.467 60 N HA 0.088 4.834 4.740 0.010 0.000 0.184 60 N C 0.506 175.998 175.510 -0.030 0.000 1.106 60 N CA 0.344 53.299 53.050 -0.157 0.000 0.892 60 N CB 0.077 38.441 38.487 -0.206 0.000 0.969 60 N HN 0.167 nan 8.380 nan 0.000 0.454 61 I N 0.123 120.727 120.570 0.057 0.000 2.392 61 I HA 0.237 4.413 4.170 0.010 0.000 0.295 61 I C -0.565 175.555 176.117 0.005 0.000 0.985 61 I CA -1.015 60.299 61.300 0.023 0.000 1.221 61 I CB 1.677 39.720 38.000 0.072 0.000 1.366 61 I HN 0.017 nan 8.210 nan 0.000 0.467 62 C N 7.158 126.383 119.300 -0.124 0.000 2.340 62 C HA 0.564 5.030 4.460 0.010 0.000 0.323 62 C C -0.651 174.229 174.990 -0.183 0.000 1.260 62 C CA -0.652 58.341 59.018 -0.041 0.000 1.464 62 C CB -0.205 27.543 27.740 0.014 0.000 2.156 62 C HN 0.579 nan 8.230 nan 0.000 0.476 63 F N 4.306 124.250 119.950 -0.009 0.000 2.385 63 F HA 0.435 4.968 4.527 0.011 0.000 0.360 63 F C 0.909 176.707 175.800 -0.003 0.000 1.122 63 F CA -0.004 57.980 58.000 -0.026 0.000 1.090 63 F CB 1.658 40.624 39.000 -0.056 0.000 1.150 63 F HN 0.457 nan 8.300 nan 0.000 0.472 64 T N 3.581 118.197 114.554 0.102 0.000 2.823 64 T HA 0.680 5.036 4.350 0.010 0.000 0.279 64 T C -0.712 173.947 174.700 -0.068 0.000 0.998 64 T CA -0.642 61.488 62.100 0.049 0.000 0.994 64 T CB 1.753 70.657 68.868 0.060 0.000 0.960 64 T HN 0.228 nan 8.240 nan 0.000 0.448 65 V N 4.058 123.950 119.914 -0.037 0.000 2.638 65 V HA 0.793 4.919 4.120 0.010 0.000 0.306 65 V C -1.288 174.834 176.094 0.048 0.000 1.052 65 V CA -0.830 61.413 62.300 -0.095 0.000 0.885 65 V CB 1.653 33.467 31.823 -0.015 0.000 0.999 65 V HN 1.015 nan 8.190 nan 0.000 0.424 66 W N 2.458 123.783 121.300 0.042 0.000 3.042 66 W HA 0.752 5.417 4.660 0.008 0.000 0.342 66 W C -1.230 175.332 176.519 0.071 0.000 1.240 66 W CA -1.062 56.333 57.345 0.083 0.000 1.166 66 W CB 0.517 30.118 29.460 0.234 0.000 1.469 66 W HN 0.382 nan 8.180 nan 0.000 0.579 67 D N 1.369 122.054 120.400 0.475 0.000 2.304 67 D HA 0.415 5.061 4.640 0.010 0.000 0.247 67 D C 0.081 176.623 176.300 0.404 0.000 1.089 67 D CA -0.029 54.148 54.000 0.296 0.000 0.910 67 D CB 1.800 42.714 40.800 0.191 0.000 1.199 67 D HN 0.492 nan 8.370 nan 0.000 0.426 68 V N -2.093 117.969 119.914 0.247 0.000 3.113 68 V HA 0.964 5.090 4.120 0.010 0.000 0.316 68 V C 0.521 176.722 176.094 0.178 0.000 1.125 68 V CA -0.023 62.435 62.300 0.264 0.000 1.026 68 V CB 1.102 33.118 31.823 0.321 0.000 1.080 68 V HN 0.846 nan 8.190 nan 0.000 0.444 69 G N -0.145 108.753 108.800 0.164 0.000 2.681 69 G HA2 0.397 4.363 3.960 0.010 0.000 0.220 69 G HA3 0.397 4.363 3.960 0.010 0.000 0.220 69 G C 0.919 175.868 174.900 0.081 0.000 1.353 69 G CA 0.295 45.465 45.100 0.116 0.000 0.872 69 G HN 3.080 nan 8.290 nan 0.000 0.557 70 G N -1.075 107.761 108.800 0.061 0.000 2.547 70 G HA2 -0.006 3.959 3.960 0.010 0.000 0.271 70 G HA3 -0.006 3.959 3.960 0.010 0.000 0.271 70 G C 0.317 175.233 174.900 0.027 0.000 1.209 70 G CA 1.180 46.305 45.100 0.041 0.000 0.959 70 G HN 1.646 nan 8.290 nan 0.000 0.563 71 Q N 0.819 120.627 119.800 0.013 0.000 2.299 71 Q HA 0.356 4.702 4.340 0.010 0.000 0.246 71 Q C -0.157 175.830 176.000 -0.023 0.000 0.935 71 Q CA -0.628 55.172 55.803 -0.005 0.000 0.887 71 Q CB 0.918 29.650 28.738 -0.010 0.000 1.223 71 Q HN 0.533 nan 8.270 nan 0.000 0.439 72 D N 2.049 122.427 120.400 -0.037 0.000 2.581 72 D HA -0.056 4.590 4.640 0.010 0.000 0.238 72 D C -0.381 175.859 176.300 -0.100 0.000 1.145 72 D CA 1.116 55.073 54.000 -0.071 0.000 0.866 72 D CB 0.504 41.262 40.800 -0.070 0.000 1.151 72 D HN 0.244 nan 8.370 nan 0.000 0.500 73 R N 1.852 122.259 120.500 -0.154 0.000 2.744 73 R HA 0.465 4.811 4.340 0.010 0.000 0.279 73 R C -0.077 176.044 176.300 -0.298 0.000 0.977 73 R CA -0.941 55.046 56.100 -0.189 0.000 0.906 73 R CB 1.779 31.976 30.300 -0.173 0.000 1.197 73 R HN 0.435 nan 8.270 nan 0.000 0.463 74 I N -1.085 119.319 120.570 -0.276 0.000 2.519 74 I HA 0.433 4.609 4.170 0.010 0.000 0.287 74 I C -0.414 175.420 176.117 -0.473 0.000 1.047 74 I CA -0.402 60.692 61.300 -0.343 0.000 1.381 74 I CB 0.959 38.827 38.000 -0.219 0.000 1.417 74 I HN 0.390 nan 8.210 nan 0.000 0.540 75 R N 5.054 125.190 120.500 -0.607 0.000 2.513 75 R HA 0.389 4.735 4.340 0.010 0.000 0.283 75 R C -2.604 173.481 176.300 -0.358 0.000 1.535 75 R CA -1.690 53.840 56.100 -0.949 0.000 1.315 75 R CB 1.016 30.391 30.300 -1.543 0.000 1.163 75 R HN 0.470 nan 8.270 nan 0.000 0.573 76 P HA -0.101 nan 4.420 nan 0.000 0.257 76 P C 0.171 177.567 177.300 0.160 0.000 1.162 76 P CA 0.756 63.889 63.100 0.055 0.000 0.762 76 P CB 0.389 32.150 31.700 0.102 0.000 0.753 77 L N 0.635 121.896 121.223 0.065 0.000 4.800 77 L HA -0.214 4.132 4.340 0.010 0.000 0.412 77 L C 1.691 178.674 176.870 0.188 0.000 1.063 77 L CA 0.341 55.169 54.840 -0.021 0.000 1.114 77 L CB -1.992 39.895 42.059 -0.287 0.000 2.089 77 L HN 0.530 nan 8.230 nan 0.000 0.686 78 W N 2.733 124.050 121.300 0.029 0.000 2.313 78 W HA -0.251 4.415 4.660 0.009 0.000 0.293 78 W C 1.920 178.210 176.519 -0.382 0.000 1.216 78 W CA 2.157 59.450 57.345 -0.087 0.000 1.223 78 W CB -0.426 28.841 29.460 -0.322 0.000 1.138 78 W HN 0.425 nan 8.180 nan 0.000 0.535 79 K N 0.546 121.016 120.400 0.116 0.000 2.026 79 K HA -0.261 4.065 4.320 0.010 0.000 0.208 79 K C 1.804 178.357 176.600 -0.078 0.000 1.048 79 K CA 2.205 58.496 56.287 0.007 0.000 0.929 79 K CB -1.005 31.649 32.500 0.258 0.000 0.713 79 K HN 0.173 nan 8.250 nan 0.000 0.439 80 H N -0.318 118.662 119.070 -0.150 0.000 2.353 80 H HA -0.139 4.423 4.556 0.010 0.000 0.298 80 H C 1.869 177.086 175.328 -0.185 0.000 1.103 80 H CA 2.281 58.222 56.048 -0.178 0.000 1.293 80 H CB -0.744 28.861 29.762 -0.261 0.000 1.372 80 H HN 0.321 nan 8.280 nan 0.000 0.501 81 Y N -0.897 119.385 120.300 -0.030 0.000 2.298 81 Y HA -0.204 4.352 4.550 0.009 0.000 0.287 81 Y C 1.692 177.620 175.900 0.048 0.000 1.164 81 Y CA 0.797 58.895 58.100 -0.003 0.000 1.229 81 Y CB -0.421 38.093 38.460 0.091 0.000 0.977 81 Y HN 0.171 nan 8.280 nan 0.000 0.538 82 F N -0.689 119.331 119.950 0.118 0.000 2.664 82 F HA -0.030 4.503 4.527 0.010 0.000 0.296 82 F C 2.055 177.846 175.800 -0.015 0.000 1.125 82 F CA -0.091 57.908 58.000 -0.002 0.000 1.444 82 F CB -1.136 37.804 39.000 -0.101 0.000 1.114 82 F HN 0.084 nan 8.300 nan 0.000 0.576 83 Q N 0.814 120.695 119.800 0.134 0.000 2.062 83 Q HA -0.231 4.115 4.340 0.010 0.000 0.209 83 Q C 1.075 177.100 176.000 0.042 0.000 0.996 83 Q CA 1.910 57.740 55.803 0.046 0.000 0.859 83 Q CB -0.374 28.345 28.738 -0.032 0.000 0.920 83 Q HN 0.455 nan 8.270 nan 0.000 0.415 84 N N -0.945 117.782 118.700 0.046 0.000 2.234 84 N HA 0.026 4.772 4.740 0.010 0.000 0.227 84 N C -0.641 174.883 175.510 0.024 0.000 1.151 84 N CA 0.071 53.134 53.050 0.023 0.000 0.865 84 N CB 0.515 39.008 38.487 0.010 0.000 1.066 84 N HN -0.125 nan 8.380 nan 0.000 0.515 85 T N 1.605 116.191 114.554 0.054 0.000 2.776 85 T HA 0.137 4.493 4.350 0.010 0.000 0.292 85 T C 1.078 175.777 174.700 -0.001 0.000 0.921 85 T CA -0.049 62.074 62.100 0.037 0.000 1.038 85 T CB 1.040 69.967 68.868 0.099 0.000 0.910 85 T HN 0.200 nan 8.240 nan 0.000 0.536 86 Q N 1.922 121.709 119.800 -0.021 0.000 2.297 86 Q HA 0.174 4.520 4.340 0.010 0.000 0.203 86 Q C 1.276 177.257 176.000 -0.031 0.000 0.931 86 Q CA 0.004 55.791 55.803 -0.027 0.000 0.885 86 Q CB 0.503 29.223 28.738 -0.030 0.000 0.991 86 Q HN 0.690 nan 8.270 nan 0.000 0.498 87 G N 0.689 109.467 108.800 -0.037 0.000 2.448 87 G HA2 0.543 4.509 3.960 0.010 0.000 0.324 87 G HA3 0.543 4.509 3.960 0.010 0.000 0.324 87 G C -1.778 173.112 174.900 -0.017 0.000 1.203 87 G CA -0.425 44.664 45.100 -0.018 0.000 0.954 87 G HN 0.041 nan 8.290 nan 0.000 0.480 88 L N 2.810 124.042 121.223 0.015 0.000 2.485 88 L HA 0.556 4.902 4.340 0.010 0.000 0.260 88 L C -0.687 176.215 176.870 0.054 0.000 0.998 88 L CA -0.570 54.276 54.840 0.010 0.000 0.883 88 L CB 0.867 42.920 42.059 -0.010 0.000 1.196 88 L HN 0.448 nan 8.230 nan 0.000 0.443 89 I N 3.791 124.381 120.570 0.033 0.000 2.532 89 I HA 0.278 4.454 4.170 0.010 0.000 0.292 89 I C -0.819 175.342 176.117 0.073 0.000 1.014 89 I CA -0.100 61.210 61.300 0.016 0.000 1.340 89 I CB 1.082 39.070 38.000 -0.020 0.000 1.422 89 I HN 0.568 nan 8.210 nan 0.000 0.528 90 F N 5.922 125.841 119.950 -0.051 0.000 2.610 90 F HA 0.412 4.945 4.527 0.011 0.000 0.355 90 F C -0.384 175.438 175.800 0.036 0.000 1.140 90 F CA -0.677 57.315 58.000 -0.012 0.000 1.037 90 F CB 0.980 39.965 39.000 -0.026 0.000 1.287 90 F HN 0.025 nan 8.300 nan 0.000 0.457 91 V N 5.828 125.735 119.914 -0.012 0.000 2.637 91 V HA 0.303 4.429 4.120 0.010 0.000 0.296 91 V C -0.158 176.007 176.094 0.120 0.000 1.046 91 V CA -0.333 62.043 62.300 0.126 0.000 1.066 91 V CB 1.016 32.892 31.823 0.088 0.000 0.968 91 V HN 0.435 nan 8.190 nan 0.000 0.483 92 V N 3.359 123.381 119.914 0.179 0.000 2.588 92 V HA 0.321 4.447 4.120 0.010 0.000 0.304 92 V C -0.227 175.925 176.094 0.097 0.000 1.042 92 V CA -0.732 61.664 62.300 0.160 0.000 0.877 92 V CB 2.001 33.931 31.823 0.178 0.000 0.996 92 V HN 0.876 nan 8.190 nan 0.000 0.425 93 D N 2.751 123.195 120.400 0.073 0.000 2.383 93 D HA 0.106 4.752 4.640 0.010 0.000 0.245 93 D C 1.160 177.486 176.300 0.044 0.000 1.263 93 D CA 0.267 54.296 54.000 0.048 0.000 0.936 93 D CB 1.180 42.003 40.800 0.038 0.000 1.053 93 D HN 0.529 nan 8.370 nan 0.000 0.507 94 S N 3.028 118.750 115.700 0.038 0.000 2.547 94 S HA -0.151 4.325 4.470 0.010 0.000 0.235 94 S C 1.539 176.152 174.600 0.021 0.000 0.980 94 S CA 0.498 58.716 58.200 0.030 0.000 0.941 94 S CB 0.030 63.245 63.200 0.025 0.000 0.763 94 S HN 0.609 nan 8.310 nan 0.000 0.532 95 N N 1.470 120.181 118.700 0.019 0.000 2.415 95 N HA -0.029 4.717 4.740 0.010 0.000 0.174 95 N C 0.164 175.684 175.510 0.016 0.000 1.048 95 N CA 0.225 53.284 53.050 0.014 0.000 0.895 95 N CB 0.103 38.596 38.487 0.011 0.000 1.036 95 N HN 0.071 nan 8.380 nan 0.000 0.449 96 D N 0.624 121.036 120.400 0.021 0.000 2.597 96 D HA 0.041 4.687 4.640 0.010 0.000 0.228 96 D C 0.953 177.266 176.300 0.023 0.000 1.120 96 D CA -0.031 53.982 54.000 0.022 0.000 1.083 96 D CB 0.054 40.871 40.800 0.028 0.000 1.116 96 D HN 0.097 nan 8.370 nan 0.000 0.487 97 R N 1.684 122.194 120.500 0.017 0.000 2.127 97 R HA -0.148 4.198 4.340 0.010 0.000 0.238 97 R C 1.500 177.809 176.300 0.016 0.000 1.134 97 R CA 0.932 57.041 56.100 0.015 0.000 0.975 97 R CB -0.206 30.100 30.300 0.010 0.000 0.865 97 R HN 0.596 nan 8.270 nan 0.000 0.447 98 E N 0.675 120.885 120.200 0.016 0.000 2.013 98 E HA -0.183 4.173 4.350 0.010 0.000 0.202 98 E C 1.769 178.381 176.600 0.021 0.000 1.018 98 E CA 1.225 57.635 56.400 0.017 0.000 0.834 98 E CB -0.188 29.522 29.700 0.017 0.000 0.770 98 E HN 0.278 nan 8.360 nan 0.000 0.459 99 R N 0.775 121.292 120.500 0.029 0.000 2.328 99 R HA 0.046 4.391 4.340 0.010 0.000 0.206 99 R C 2.103 178.429 176.300 0.043 0.000 0.990 99 R CA -0.151 55.971 56.100 0.038 0.000 1.085 99 R CB -0.117 30.211 30.300 0.047 0.000 0.998 99 R HN 0.312 nan 8.270 nan 0.000 0.484 100 I N 1.372 121.961 120.570 0.032 0.000 2.208 100 I HA -0.325 3.851 4.170 0.010 0.000 0.245 100 I C 1.555 177.682 176.117 0.017 0.000 1.097 100 I CA 1.876 63.192 61.300 0.028 0.000 1.363 100 I CB -0.055 37.954 38.000 0.015 0.000 1.051 100 I HN 0.285 nan 8.210 nan 0.000 0.413 101 Q N 0.224 120.030 119.800 0.010 0.000 2.124 101 Q HA -0.269 4.077 4.340 0.010 0.000 0.202 101 Q C 2.083 178.089 176.000 0.011 0.000 0.977 101 Q CA 1.937 57.740 55.803 0.001 0.000 0.850 101 Q CB -0.147 28.590 28.738 -0.001 0.000 0.901 101 Q HN 0.527 nan 8.270 nan 0.000 0.429 102 E N -0.183 120.036 120.200 0.031 0.000 2.118 102 E HA -0.214 4.142 4.350 0.010 0.000 0.195 102 E C 1.809 178.456 176.600 0.079 0.000 0.992 102 E CA 1.429 57.861 56.400 0.053 0.000 0.804 102 E CB 0.137 29.875 29.700 0.063 0.000 0.741 102 E HN 0.173 nan 8.360 nan 0.000 0.458 103 V N 1.297 121.263 119.914 0.086 0.000 2.255 103 V HA -0.315 3.811 4.120 0.010 0.000 0.247 103 V C 2.507 178.577 176.094 -0.040 0.000 1.051 103 V CA 1.965 64.334 62.300 0.116 0.000 1.018 103 V CB -1.137 30.764 31.823 0.131 0.000 0.641 103 V HN 0.457 nan 8.190 nan 0.000 0.445 104 A N 0.410 123.191 122.820 -0.065 0.000 1.873 104 A HA -0.302 4.024 4.320 0.010 0.000 0.218 104 A C 2.003 179.523 177.584 -0.107 0.000 1.193 104 A CA 2.334 54.298 52.037 -0.121 0.000 0.629 104 A CB -0.803 18.146 19.000 -0.086 0.000 0.826 104 A HN 0.605 nan 8.150 nan 0.000 0.447 105 D N -0.408 119.965 120.400 -0.044 0.000 2.097 105 D HA -0.124 4.522 4.640 0.010 0.000 0.195 105 D C 1.906 178.208 176.300 0.004 0.000 0.989 105 D CA 1.264 55.253 54.000 -0.018 0.000 0.827 105 D CB -0.433 40.371 40.800 0.007 0.000 0.966 105 D HN 0.379 nan 8.370 nan 0.000 0.456 106 E N 0.659 120.890 120.200 0.050 0.000 2.058 106 E HA -0.148 4.208 4.350 0.010 0.000 0.194 106 E C 2.242 178.882 176.600 0.066 0.000 0.997 106 E CA 0.290 56.774 56.400 0.140 0.000 0.801 106 E CB -0.541 29.339 29.700 0.300 0.000 0.746 106 E HN 0.211 nan 8.360 nan 0.000 0.450 107 L N 1.262 122.362 121.223 -0.206 0.000 2.046 107 L HA -0.216 4.129 4.340 0.010 0.000 0.208 107 L C 2.277 179.015 176.870 -0.219 0.000 1.077 107 L CA 1.763 56.318 54.840 -0.475 0.000 0.747 107 L CB -0.600 40.958 42.059 -0.835 0.000 0.896 107 L HN 0.002 nan 8.230 nan 0.000 0.432 108 Q N 0.014 119.722 119.800 -0.154 0.000 2.045 108 Q HA -0.257 4.089 4.340 0.010 0.000 0.206 108 Q C 2.246 178.225 176.000 -0.035 0.000 0.991 108 Q CA 2.361 58.108 55.803 -0.094 0.000 0.851 108 Q CB -0.207 28.491 28.738 -0.068 0.000 0.911 108 Q HN 0.492 nan 8.270 nan 0.000 0.418 109 K N -0.737 119.672 120.400 0.015 0.000 2.009 109 K HA -0.160 4.166 4.320 0.010 0.000 0.210 109 K C 2.039 178.702 176.600 0.105 0.000 1.049 109 K CA 1.453 57.787 56.287 0.077 0.000 0.929 109 K CB -0.229 32.344 32.500 0.121 0.000 0.714 109 K HN 0.220 nan 8.250 nan 0.000 0.440 110 M N 0.932 120.601 119.600 0.114 0.000 2.082 110 M HA -0.179 4.307 4.480 0.010 0.000 0.258 110 M C 2.270 178.554 176.300 -0.026 0.000 1.069 110 M CA 1.633 56.986 55.300 0.088 0.000 1.102 110 M CB -0.959 31.730 32.600 0.148 0.000 1.336 110 M HN 0.172 nan 8.290 nan 0.000 0.404 111 L N -0.510 120.680 121.223 -0.055 0.000 2.056 111 L HA -0.180 4.166 4.340 0.010 0.000 0.207 111 L C 2.112 178.956 176.870 -0.044 0.000 1.078 111 L CA 0.797 55.593 54.840 -0.073 0.000 0.749 111 L CB -0.606 41.389 42.059 -0.106 0.000 0.901 111 L HN 0.269 nan 8.230 nan 0.000 0.433 112 L N -0.287 120.926 121.223 -0.017 0.000 2.622 112 L HA 0.008 4.354 4.340 0.010 0.000 0.233 112 L C 0.613 177.499 176.870 0.028 0.000 1.156 112 L CA -0.245 54.598 54.840 0.006 0.000 0.866 112 L CB -0.672 41.398 42.059 0.017 0.000 0.980 112 L HN 0.011 nan 8.230 nan 0.000 0.448 113 V N 0.461 120.383 119.914 0.013 0.000 2.811 113 V HA -0.031 4.095 4.120 0.010 0.000 0.302 113 V C 0.906 176.990 176.094 -0.018 0.000 1.063 113 V CA 0.152 62.464 62.300 0.018 0.000 1.088 113 V CB 1.451 33.217 31.823 -0.094 0.000 0.982 113 V HN 0.192 nan 8.190 nan 0.000 0.485 114 D N 1.921 122.338 120.400 0.028 0.000 2.395 114 D HA 0.123 4.769 4.640 0.010 0.000 0.213 114 D C 0.793 177.105 176.300 0.021 0.000 1.110 114 D CA 0.189 54.205 54.000 0.027 0.000 0.835 114 D CB 0.829 41.662 40.800 0.054 0.000 0.965 114 D HN 0.635 nan 8.370 nan 0.000 0.505 115 E N -0.339 119.857 120.200 -0.006 0.000 2.603 115 E HA 0.268 4.624 4.350 0.010 0.000 0.211 115 E C 1.131 177.688 176.600 -0.073 0.000 0.995 115 E CA 0.075 56.481 56.400 0.010 0.000 0.990 115 E CB 0.916 30.692 29.700 0.127 0.000 1.036 115 E HN 0.098 nan 8.360 nan 0.000 0.475 116 L N -0.494 120.643 121.223 -0.143 0.000 3.217 116 L HA 0.293 4.639 4.340 0.010 0.000 0.288 116 L C 1.452 178.269 176.870 -0.089 0.000 1.202 116 L CA -0.027 54.710 54.840 -0.171 0.000 1.027 116 L CB 0.368 42.223 42.059 -0.341 0.000 1.427 116 L HN 0.017 nan 8.230 nan 0.000 0.600 117 R N 0.477 120.945 120.500 -0.053 0.000 2.094 117 R HA -0.194 4.152 4.340 0.010 0.000 0.239 117 R C 1.339 177.636 176.300 -0.005 0.000 1.137 117 R CA 1.913 58.001 56.100 -0.021 0.000 0.943 117 R CB -0.309 29.987 30.300 -0.007 0.000 0.850 117 R HN 0.222 nan 8.270 nan 0.000 0.433 118 D N 0.639 121.035 120.400 -0.007 0.000 2.219 118 D HA 0.023 4.669 4.640 0.010 0.000 0.205 118 D C 0.412 176.713 176.300 0.002 0.000 0.970 118 D CA 0.726 54.727 54.000 0.001 0.000 0.851 118 D CB -0.218 40.580 40.800 -0.004 0.000 0.943 118 D HN 0.254 nan 8.370 nan 0.000 0.488 119 A N 0.615 123.429 122.820 -0.009 0.000 2.555 119 A HA 0.147 4.473 4.320 0.010 0.000 0.233 119 A C 0.452 178.054 177.584 0.030 0.000 1.060 119 A CA -0.082 51.951 52.037 -0.006 0.000 0.759 119 A CB 0.463 19.445 19.000 -0.030 0.000 0.995 119 A HN -0.021 nan 8.150 nan 0.000 0.506 120 V N 2.690 122.622 119.914 0.031 0.000 2.607 120 V HA 0.333 4.459 4.120 0.010 0.000 0.289 120 V C 0.283 176.479 176.094 0.170 0.000 1.053 120 V CA -0.234 62.120 62.300 0.090 0.000 0.996 120 V CB 1.154 32.953 31.823 -0.040 0.000 0.995 120 V HN 0.740 nan 8.190 nan 0.000 0.476 121 L N 5.600 127.015 121.223 0.320 0.000 2.316 121 L HA 0.620 4.966 4.340 0.010 0.000 0.280 121 L C -0.889 176.215 176.870 0.390 0.000 1.006 121 L CA -0.611 54.403 54.840 0.290 0.000 0.836 121 L CB 1.301 43.492 42.059 0.220 0.000 1.221 121 L HN 0.642 nan 8.230 nan 0.000 0.418 122 L N 5.792 127.175 121.223 0.267 0.000 2.282 122 L HA 0.517 4.863 4.340 0.010 0.000 0.288 122 L C -1.257 175.565 176.870 -0.079 0.000 1.033 122 L CA -0.118 54.792 54.840 0.117 0.000 0.807 122 L CB 1.597 43.697 42.059 0.069 0.000 1.209 122 L HN 0.675 nan 8.230 nan 0.000 0.423 123 L N 5.606 126.760 121.223 -0.115 0.000 2.301 123 L HA 0.509 4.855 4.340 0.010 0.000 0.278 123 L C -1.088 175.751 176.870 -0.052 0.000 1.022 123 L CA -0.153 54.659 54.840 -0.046 0.000 0.854 123 L CB 0.354 42.401 42.059 -0.019 0.000 1.226 123 L HN 0.430 nan 8.230 nan 0.000 0.429 124 F N 4.057 124.039 119.950 0.054 0.000 2.502 124 F HA 0.316 4.849 4.527 0.010 0.000 0.371 124 F C 1.043 176.854 175.800 0.018 0.000 1.083 124 F CA -0.481 57.531 58.000 0.020 0.000 1.174 124 F CB 0.760 39.785 39.000 0.040 0.000 1.096 124 F HN 0.551 nan 8.300 nan 0.000 0.545 125 A N 4.460 127.393 122.820 0.188 0.000 2.923 125 A HA 0.279 4.605 4.320 0.010 0.000 0.306 125 A C 0.380 178.010 177.584 0.078 0.000 1.542 125 A CA -0.551 51.547 52.037 0.101 0.000 1.225 125 A CB -0.765 18.261 19.000 0.042 0.000 1.147 125 A HN 0.682 nan 8.150 nan 0.000 0.542 126 N N 1.266 120.014 118.700 0.080 0.000 2.381 126 N HA 0.174 4.920 4.740 0.010 0.000 0.254 126 N C 0.218 175.735 175.510 0.012 0.000 1.264 126 N CA 0.202 53.265 53.050 0.022 0.000 0.942 126 N CB 0.190 38.685 38.487 0.013 0.000 1.190 126 N HN 0.498 nan 8.380 nan 0.000 0.495 127 K N -0.250 120.146 120.400 -0.008 0.000 3.129 127 K HA -0.207 4.119 4.320 0.010 0.000 0.273 127 K C 0.208 176.808 176.600 -0.000 0.000 1.123 127 K CA 0.216 56.501 56.287 -0.004 0.000 0.800 127 K CB -1.105 31.396 32.500 0.003 0.000 1.238 127 K HN 0.598 nan 8.250 nan 0.000 0.492 128 Q N 0.978 120.776 119.800 -0.002 0.000 2.170 128 Q HA -0.164 4.182 4.340 0.010 0.000 0.203 128 Q C 1.669 177.669 176.000 -0.001 0.000 0.976 128 Q CA 2.118 57.922 55.803 0.001 0.000 0.858 128 Q CB -0.145 28.593 28.738 0.001 0.000 0.907 128 Q HN 0.666 nan 8.270 nan 0.000 0.433 129 D N -0.207 120.190 120.400 -0.005 0.000 2.351 129 D HA -0.138 4.508 4.640 0.010 0.000 0.216 129 D C 0.490 176.788 176.300 -0.002 0.000 0.968 129 D CA 0.267 54.264 54.000 -0.004 0.000 0.899 129 D CB -0.240 40.556 40.800 -0.008 0.000 0.907 129 D HN 0.205 nan 8.370 nan 0.000 0.514 130 L N 0.773 121.996 121.223 -0.001 0.000 2.349 130 L HA 0.163 4.509 4.340 0.010 0.000 0.275 130 L C -1.195 175.676 176.870 0.002 0.000 1.115 130 L CA -1.749 53.092 54.840 0.000 0.000 0.820 130 L CB 1.024 43.084 42.059 0.002 0.000 1.135 130 L HN -0.276 nan 8.230 nan 0.000 0.445 131 P HA -0.194 nan 4.420 nan 0.000 0.216 131 P C 1.037 178.338 177.300 0.003 0.000 1.150 131 P CA 1.358 64.459 63.100 0.002 0.000 0.843 131 P CB 0.114 31.814 31.700 0.001 0.000 0.787 132 N N -0.650 118.052 118.700 0.004 0.000 2.494 132 N HA 0.003 4.749 4.740 0.010 0.000 0.182 132 N C 0.246 175.760 175.510 0.006 0.000 1.076 132 N CA -0.174 52.878 53.050 0.005 0.000 0.908 132 N CB -0.154 38.336 38.487 0.005 0.000 0.967 132 N HN -0.040 nan 8.380 nan 0.000 0.449 133 A N 1.525 124.349 122.820 0.006 0.000 2.603 133 A HA -0.071 4.255 4.320 0.010 0.000 0.235 133 A C 0.402 177.991 177.584 0.007 0.000 1.035 133 A CA 0.252 52.294 52.037 0.008 0.000 0.755 133 A CB -0.026 18.978 19.000 0.007 0.000 0.954 133 A HN 0.486 nan 8.150 nan 0.000 0.511 134 M N 3.291 122.896 119.600 0.009 0.000 2.200 134 M HA 0.439 4.925 4.480 0.010 0.000 0.355 134 M C 0.592 176.896 176.300 0.006 0.000 1.283 134 M CA -0.117 55.187 55.300 0.007 0.000 1.124 134 M CB 0.541 33.146 32.600 0.007 0.000 1.625 134 M HN 0.885 nan 8.290 nan 0.000 0.463 135 A N 4.896 127.718 122.820 0.004 0.000 2.386 135 A HA 0.223 4.549 4.320 0.010 0.000 0.246 135 A C 1.086 178.670 177.584 0.001 0.000 1.089 135 A CA -0.581 51.458 52.037 0.003 0.000 0.790 135 A CB 0.220 19.223 19.000 0.004 0.000 1.042 135 A HN 0.931 nan 8.150 nan 0.000 0.497 136 I N 1.241 121.811 120.570 0.000 0.000 2.142 136 I HA -0.226 3.950 4.170 0.010 0.000 0.240 136 I C 2.769 178.888 176.117 0.003 0.000 1.078 136 I CA 2.411 63.708 61.300 -0.004 0.000 1.343 136 I CB -1.854 36.139 38.000 -0.011 0.000 1.046 136 I HN 0.832 nan 8.210 nan 0.000 0.405 137 S N 0.448 116.154 115.700 0.011 0.000 2.383 137 S HA -0.254 4.222 4.470 0.010 0.000 0.229 137 S C 1.909 176.513 174.600 0.006 0.000 1.030 137 S CA 1.479 59.689 58.200 0.017 0.000 1.002 137 S CB -0.657 62.555 63.200 0.019 0.000 0.829 137 S HN 0.513 nan 8.310 nan 0.000 0.467 138 E N 0.900 121.100 120.200 0.001 0.000 2.023 138 E HA -0.193 4.163 4.350 0.010 0.000 0.196 138 E C 2.150 178.741 176.600 -0.015 0.000 1.003 138 E CA 1.514 57.911 56.400 -0.005 0.000 0.809 138 E CB -0.274 29.424 29.700 -0.003 0.000 0.755 138 E HN 0.600 nan 8.360 nan 0.000 0.449 139 M N 0.036 119.626 119.600 -0.017 0.000 2.065 139 M HA -0.202 4.284 4.480 0.010 0.000 0.259 139 M C 2.223 178.488 176.300 -0.058 0.000 1.071 139 M CA 2.302 57.583 55.300 -0.031 0.000 1.109 139 M CB -0.244 32.342 32.600 -0.023 0.000 1.313 139 M HN 0.159 nan 8.290 nan 0.000 0.408 140 T N 0.075 114.599 114.554 -0.049 0.000 2.685 140 T HA -0.251 4.105 4.350 0.010 0.000 0.268 140 T C 1.527 176.174 174.700 -0.089 0.000 1.034 140 T CA 1.817 63.871 62.100 -0.077 0.000 1.149 140 T CB -0.720 68.157 68.868 0.015 0.000 0.860 140 T HN 0.561 nan 8.240 nan 0.000 0.449 141 D N 0.832 121.205 120.400 -0.045 0.000 2.078 141 D HA -0.133 4.513 4.640 0.010 0.000 0.193 141 D C 2.137 178.401 176.300 -0.061 0.000 0.990 141 D CA 1.062 55.038 54.000 -0.041 0.000 0.827 141 D CB 0.036 40.824 40.800 -0.019 0.000 0.975 141 D HN 0.182 nan 8.370 nan 0.000 0.451 142 K N 0.398 120.765 120.400 -0.055 0.000 2.103 142 K HA -0.096 4.230 4.320 0.010 0.000 0.207 142 K C 2.277 178.828 176.600 -0.081 0.000 1.048 142 K CA 0.451 56.706 56.287 -0.055 0.000 0.930 142 K CB -0.331 32.146 32.500 -0.039 0.000 0.716 142 K HN 0.354 nan 8.250 nan 0.000 0.444 143 L N -0.132 121.021 121.223 -0.116 0.000 2.554 143 L HA 0.052 4.398 4.340 0.010 0.000 0.226 143 L C 1.051 177.803 176.870 -0.197 0.000 1.137 143 L CA 0.447 55.188 54.840 -0.164 0.000 0.863 143 L CB -0.339 41.597 42.059 -0.205 0.000 0.985 143 L HN 0.368 nan 8.230 nan 0.000 0.451 144 G N 0.350 109.045 108.800 -0.175 0.000 2.160 144 G HA2 -0.291 3.675 3.960 0.010 0.000 0.251 144 G HA3 -0.291 3.675 3.960 0.010 0.000 0.251 144 G C 0.765 175.514 174.900 -0.251 0.000 1.008 144 G CA 0.493 45.491 45.100 -0.169 0.000 0.724 144 G HN 0.369 nan 8.290 nan 0.000 0.514 145 L N -0.834 120.159 121.223 -0.385 0.000 2.156 145 L HA -0.021 4.325 4.340 0.010 0.000 0.208 145 L C 2.880 179.462 176.870 -0.481 0.000 1.095 145 L CA 1.224 55.644 54.840 -0.701 0.000 0.770 145 L CB -0.558 40.766 42.059 -1.226 0.000 0.914 145 L HN 0.178 nan 8.230 nan 0.000 0.439 146 Q N 0.699 120.371 119.800 -0.213 0.000 2.268 146 Q HA -0.188 4.157 4.340 0.010 0.000 0.210 146 Q C 2.120 178.150 176.000 0.050 0.000 0.988 146 Q CA 1.957 57.774 55.803 0.023 0.000 0.883 146 Q CB -0.339 28.410 28.738 0.019 0.000 0.911 146 Q HN 0.705 nan 8.270 nan 0.000 0.430 147 S N -1.038 114.645 115.700 -0.028 0.000 2.554 147 S HA 0.166 4.642 4.470 0.010 0.000 0.226 147 S C 0.579 175.173 174.600 -0.009 0.000 0.980 147 S CA -0.517 57.681 58.200 -0.004 0.000 0.939 147 S CB 0.302 63.487 63.200 -0.024 0.000 0.832 147 S HN 0.127 nan 8.310 nan 0.000 0.486 148 L N 3.607 124.803 121.223 -0.045 0.000 2.361 148 L HA 0.471 4.817 4.340 0.010 0.000 0.278 148 L C -0.463 176.479 176.870 0.120 0.000 1.113 148 L CA 0.454 55.269 54.840 -0.042 0.000 0.849 148 L CB 0.435 42.337 42.059 -0.262 0.000 1.155 148 L HN 0.239 nan 8.230 nan 0.000 0.452 149 R N 3.814 124.366 120.500 0.085 0.000 2.873 149 R HA 0.359 4.705 4.340 0.010 0.000 0.264 149 R C 0.132 176.490 176.300 0.097 0.000 1.026 149 R CA -0.904 55.261 56.100 0.108 0.000 1.002 149 R CB 0.374 30.715 30.300 0.068 0.000 1.174 149 R HN 0.622 nan 8.270 nan 0.000 0.488 150 N N 0.251 119.006 118.700 0.092 0.000 2.725 150 N HA -0.232 4.514 4.740 0.010 0.000 0.249 150 N C -0.659 174.902 175.510 0.085 0.000 1.103 150 N CA 1.084 54.176 53.050 0.070 0.000 0.707 150 N CB -0.810 37.704 38.487 0.045 0.000 1.043 150 N HN 0.549 nan 8.380 nan 0.000 0.553 151 R N -0.418 120.166 120.500 0.140 0.000 2.523 151 R HA 0.231 4.577 4.340 0.010 0.000 0.278 151 R C -1.394 175.069 176.300 0.271 0.000 1.150 151 R CA -0.388 55.816 56.100 0.173 0.000 0.987 151 R CB 0.859 31.255 30.300 0.161 0.000 1.232 151 R HN 0.027 nan 8.270 nan 0.000 0.424 152 T N 5.792 120.460 114.554 0.189 0.000 2.769 152 T HA 0.239 4.595 4.350 0.010 0.000 0.293 152 T C -0.060 174.858 174.700 0.365 0.000 0.931 152 T CA -0.008 62.196 62.100 0.174 0.000 1.139 152 T CB -0.070 68.863 68.868 0.108 0.000 0.881 152 T HN 0.473 nan 8.240 nan 0.000 0.532 153 W N 2.717 124.169 121.300 0.253 0.000 3.349 153 W HA 0.757 5.423 4.660 0.009 0.000 0.325 153 W C -1.599 174.978 176.519 0.097 0.000 1.198 153 W CA -1.344 56.142 57.345 0.236 0.000 0.985 153 W CB 0.977 30.486 29.460 0.082 0.000 1.556 153 W HN 0.440 nan 8.180 nan 0.000 0.610 154 Y N 0.297 120.652 120.300 0.091 0.000 2.554 154 Y HA 0.379 4.935 4.550 0.010 0.000 0.338 154 Y C -2.136 173.678 175.900 -0.143 0.000 1.247 154 Y CA -1.695 56.139 58.100 -0.443 0.000 1.255 154 Y CB 0.657 38.066 38.460 -1.752 0.000 1.346 154 Y HN 0.544 nan 8.280 nan 0.000 0.481 155 V N 6.553 126.124 119.914 -0.572 0.000 2.376 155 V HA 0.639 4.765 4.120 0.010 0.000 0.287 155 V C -1.273 174.385 176.094 -0.726 0.000 1.015 155 V CA -0.245 61.777 62.300 -0.463 0.000 0.834 155 V CB 1.335 33.091 31.823 -0.112 0.000 1.001 155 V HN 0.836 nan 8.190 nan 0.000 0.428 156 Q N 5.976 125.446 119.800 -0.551 0.000 2.257 156 Q HA 0.761 5.107 4.340 0.010 0.000 0.255 156 Q C -0.138 175.842 176.000 -0.033 0.000 0.920 156 Q CA 0.197 55.813 55.803 -0.311 0.000 0.927 156 Q CB 1.768 30.464 28.738 -0.070 0.000 1.229 156 Q HN 1.105 nan 8.270 nan 0.000 0.433 157 A N 3.391 126.197 122.820 -0.024 0.000 2.401 157 A HA 0.615 4.940 4.320 0.010 0.000 0.259 157 A C -0.223 177.385 177.584 0.039 0.000 1.103 157 A CA 0.404 52.450 52.037 0.016 0.000 0.789 157 A CB 0.064 19.067 19.000 0.005 0.000 1.035 157 A HN 0.892 nan 8.150 nan 0.000 0.491 158 T N -1.881 112.684 114.554 0.018 0.000 2.868 158 T HA 0.491 4.847 4.350 0.010 0.000 0.306 158 T C -0.896 173.769 174.700 -0.058 0.000 1.224 158 T CA -0.493 61.577 62.100 -0.049 0.000 1.012 158 T CB 1.259 70.007 68.868 -0.200 0.000 1.221 158 T HN 1.459 nan 8.240 nan 0.000 0.499 159 C N 2.457 121.711 119.300 -0.075 0.000 2.978 159 C HA 0.791 5.257 4.460 0.010 0.000 0.274 159 C C 1.839 176.781 174.990 -0.080 0.000 1.087 159 C CA 0.141 59.123 59.018 -0.060 0.000 1.453 159 C CB -1.220 26.500 27.740 -0.033 0.000 1.838 159 C HN 1.182 nan 8.230 nan 0.000 0.470 160 A N 3.185 125.940 122.820 -0.108 0.000 1.948 160 A HA -0.166 4.160 4.320 0.010 0.000 0.220 160 A C 2.274 179.822 177.584 -0.060 0.000 1.177 160 A CA 2.926 54.893 52.037 -0.118 0.000 0.636 160 A CB -0.929 17.998 19.000 -0.123 0.000 0.815 160 A HN 1.147 nan 8.150 nan 0.000 0.449 161 T N -1.835 112.694 114.554 -0.041 0.000 2.684 161 T HA -0.237 4.119 4.350 0.010 0.000 0.267 161 T C 1.544 176.236 174.700 -0.014 0.000 1.036 161 T CA 1.783 63.870 62.100 -0.021 0.000 1.148 161 T CB -0.391 68.466 68.868 -0.019 0.000 0.863 161 T HN 0.597 nan 8.240 nan 0.000 0.436 162 Q N 0.742 120.530 119.800 -0.020 0.000 2.204 162 Q HA 0.467 4.813 4.340 0.010 0.000 0.209 162 Q C 1.510 177.498 176.000 -0.020 0.000 0.861 162 Q CA 0.193 55.987 55.803 -0.015 0.000 0.971 162 Q CB 0.338 29.067 28.738 -0.014 0.000 1.095 162 Q HN 0.720 nan 8.270 nan 0.000 0.486 163 G N 1.359 110.140 108.800 -0.031 0.000 2.175 163 G HA2 -0.364 3.602 3.960 0.010 0.000 0.265 163 G HA3 -0.364 3.602 3.960 0.010 0.000 0.265 163 G C 0.452 175.333 174.900 -0.031 0.000 0.979 163 G CA 0.813 45.892 45.100 -0.035 0.000 0.663 163 G HN 0.483 nan 8.290 nan 0.000 0.533 164 T N -2.527 112.008 114.554 -0.032 0.000 2.851 164 T HA 0.590 4.946 4.350 0.010 0.000 0.298 164 T C 1.599 176.286 174.700 -0.023 0.000 0.977 164 T CA 1.154 63.245 62.100 -0.014 0.000 1.126 164 T CB 1.425 70.287 68.868 -0.009 0.000 0.916 164 T HN 2.128 nan 8.240 nan 0.000 0.529 165 G N 2.792 111.606 108.800 0.023 0.000 2.279 165 G HA2 -0.264 3.702 3.960 0.010 0.000 0.223 165 G HA3 -0.264 3.702 3.960 0.010 0.000 0.223 165 G C 0.806 175.752 174.900 0.076 0.000 1.015 165 G CA 0.201 45.330 45.100 0.047 0.000 0.621 165 G HN 0.728 nan 8.290 nan 0.000 0.506 166 L N -0.651 120.565 121.223 -0.012 0.000 1.994 166 L HA -0.008 4.338 4.340 0.010 0.000 0.208 166 L C 2.406 179.386 176.870 0.183 0.000 1.071 166 L CA 2.039 56.876 54.840 -0.006 0.000 0.745 166 L CB -0.710 41.296 42.059 -0.089 0.000 0.892 166 L HN 0.341 nan 8.230 nan 0.000 0.431 167 Y N 1.320 121.657 120.300 0.062 0.000 2.081 167 Y HA -0.346 4.209 4.550 0.009 0.000 0.280 167 Y C 2.495 178.459 175.900 0.106 0.000 1.163 167 Y CA 2.073 60.209 58.100 0.062 0.000 1.135 167 Y CB -0.062 38.411 38.460 0.022 0.000 0.970 167 Y HN 0.157 nan 8.280 nan 0.000 0.498 168 E N -0.227 120.127 120.200 0.257 0.000 2.012 168 E HA -0.163 4.193 4.350 0.010 0.000 0.197 168 E C 2.513 179.258 176.600 0.242 0.000 1.007 168 E CA 1.530 58.065 56.400 0.225 0.000 0.816 168 E CB -1.242 28.597 29.700 0.232 0.000 0.762 168 E HN 0.570 nan 8.360 nan 0.000 0.451 169 G N 0.691 109.693 108.800 0.337 0.000 2.513 169 G HA2 -0.278 3.688 3.960 0.010 0.000 0.219 169 G HA3 -0.278 3.688 3.960 0.010 0.000 0.219 169 G C 1.550 176.678 174.900 0.380 0.000 1.160 169 G CA 1.188 46.543 45.100 0.426 0.000 0.767 169 G HN 0.178 nan 8.290 nan 0.000 0.571 170 L N 0.297 121.691 121.223 0.286 0.000 2.217 170 L HA 0.018 4.363 4.340 0.010 0.000 0.211 170 L C 2.479 179.281 176.870 -0.114 0.000 1.107 170 L CA 0.964 55.886 54.840 0.137 0.000 0.783 170 L CB -0.310 41.834 42.059 0.141 0.000 0.919 170 L HN 0.192 nan 8.230 nan 0.000 0.442 171 D N -0.129 120.161 120.400 -0.183 0.000 2.092 171 D HA -0.292 4.354 4.640 0.010 0.000 0.193 171 D C 1.970 178.217 176.300 -0.088 0.000 0.994 171 D CA 1.438 55.276 54.000 -0.269 0.000 0.828 171 D CB -0.208 40.424 40.800 -0.281 0.000 0.963 171 D HN 0.332 nan 8.370 nan 0.000 0.450 172 W N 0.632 121.868 121.300 -0.106 0.000 2.335 172 W HA -0.204 4.462 4.660 0.009 0.000 0.311 172 W C 2.158 178.629 176.519 -0.080 0.000 1.213 172 W CA 1.867 59.151 57.345 -0.103 0.000 1.274 172 W CB -0.782 28.622 29.460 -0.093 0.000 1.148 172 W HN 0.167 nan 8.180 nan 0.000 0.498 173 L N 1.477 122.696 121.223 -0.006 0.000 1.994 173 L HA -0.199 4.147 4.340 0.010 0.000 0.208 173 L C 2.910 179.604 176.870 -0.294 0.000 1.071 173 L CA 3.054 57.738 54.840 -0.260 0.000 0.745 173 L CB -1.380 40.758 42.059 0.131 0.000 0.892 173 L HN 0.168 nan 8.230 nan 0.000 0.431 174 S N -1.006 114.565 115.700 -0.215 0.000 2.419 174 S HA -0.225 4.250 4.470 0.010 0.000 0.235 174 S C 1.896 176.361 174.600 -0.225 0.000 1.019 174 S CA 1.444 59.514 58.200 -0.218 0.000 0.982 174 S CB -1.022 61.897 63.200 -0.469 0.000 0.789 174 S HN 0.625 nan 8.310 nan 0.000 0.490 175 N N 1.625 120.152 118.700 -0.289 0.000 2.171 175 N HA -0.070 4.676 4.740 0.010 0.000 0.184 175 N C 1.713 177.037 175.510 -0.310 0.000 1.021 175 N CA 1.413 54.302 53.050 -0.268 0.000 0.854 175 N CB -0.251 38.084 38.487 -0.253 0.000 0.994 175 N HN 0.331 nan 8.380 nan 0.000 0.426 176 E N 0.185 120.091 120.200 -0.490 0.000 2.204 176 E HA -0.087 4.268 4.350 0.010 0.000 0.195 176 E C 1.719 178.154 176.600 -0.275 0.000 0.990 176 E CA 0.657 56.777 56.400 -0.467 0.000 0.821 176 E CB -0.145 29.105 29.700 -0.750 0.000 0.750 176 E HN 0.535 nan 8.360 nan 0.000 0.477 177 L N 0.430 121.518 121.223 -0.225 0.000 2.509 177 L HA 0.073 4.419 4.340 0.010 0.000 0.222 177 L C 1.239 178.061 176.870 -0.079 0.000 1.123 177 L CA -0.133 54.635 54.840 -0.120 0.000 0.856 177 L CB -0.108 41.908 42.059 -0.072 0.000 0.985 177 L HN -0.158 nan 8.230 nan 0.000 0.456 178 S N 0.000 115.641 115.700 -0.099 0.000 2.498 178 S HA 0.000 4.476 4.470 0.010 0.000 0.327 178 S CA 0.000 58.160 58.200 -0.066 0.000 1.107 178 S CB 0.000 63.150 63.200 -0.083 0.000 0.593 178 S HN 0.000 nan 8.310 nan 0.000 0.517