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 1lhn_1_A DATA FIRST_RESID 13 DATA SEQUENCE PPAVHLSNGP GQEPIAVMTF DLTKITKTSS SFEVRTWDPE GVIFYGDTNP DATA SEQUENCE KDDWFMLGLR DGRPEIQLHN HWAQLTVGAG PRLDDGRWHQ VEVKMEGDSV DATA SEQUENCE LLEVDGEEVL RLRQVSGPLT SKXHPIMRIA LGGLLFPASN LRLPLVPALD DATA SEQUENCE GcLRRDSWLD KQAEISASAP TSLRScD 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.256 177.300 -0.074 0.000 1.155 13 P CA 0.000 63.037 63.100 -0.105 0.000 0.800 13 P CB 0.000 31.585 31.700 -0.191 0.000 0.726 14 P HA 0.495 nan 4.420 nan 0.000 0.271 14 P C -1.061 176.243 177.300 0.006 0.000 1.233 14 P CA -0.089 63.009 63.100 -0.004 0.000 0.764 14 P CB 0.987 32.692 31.700 0.008 0.000 0.825 15 A N 3.238 126.081 122.820 0.038 0.000 2.330 15 A HA 0.576 4.897 4.320 0.002 0.000 0.327 15 A C -0.588 177.033 177.584 0.061 0.000 1.155 15 A CA -0.761 51.330 52.037 0.089 0.000 0.803 15 A CB 1.762 20.894 19.000 0.219 0.000 1.208 15 A HN 0.485 nan 8.150 nan 0.000 0.477 16 V N 2.983 122.941 119.914 0.074 0.000 2.769 16 V HA 0.421 4.542 4.120 0.002 0.000 0.312 16 V C -0.409 175.695 176.094 0.017 0.000 1.058 16 V CA -0.802 61.528 62.300 0.050 0.000 0.952 16 V CB 1.585 33.459 31.823 0.086 0.000 1.019 16 V HN 0.925 nan 8.190 nan 0.000 0.445 17 H N 5.471 124.591 119.070 0.084 0.000 2.722 17 H HA 0.228 4.786 4.556 0.002 0.000 0.328 17 H C 0.769 176.129 175.328 0.054 0.000 1.067 17 H CA 0.283 56.371 56.048 0.068 0.000 1.447 17 H CB 1.557 31.350 29.762 0.051 0.000 1.469 17 H HN 0.576 nan 8.280 nan 0.000 0.544 18 L N 2.433 123.754 121.223 0.162 0.000 2.610 18 L HA -0.042 4.300 4.340 0.002 0.000 0.232 18 L C 0.467 177.384 176.870 0.079 0.000 1.149 18 L CA 0.428 55.328 54.840 0.100 0.000 0.872 18 L CB 0.007 42.116 42.059 0.083 0.000 0.992 18 L HN 0.482 nan 8.230 nan 0.000 0.447 19 S N -1.644 114.114 115.700 0.096 0.000 2.547 19 S HA 0.376 4.848 4.470 0.002 0.000 0.270 19 S C -0.978 173.637 174.600 0.025 0.000 1.150 19 S CA -1.043 57.184 58.200 0.045 0.000 0.850 19 S CB 1.503 64.722 63.200 0.033 0.000 1.118 19 S HN 0.120 nan 8.310 nan 0.000 0.461 20 N N 1.853 120.552 118.700 -0.002 0.000 2.707 20 N HA 0.594 5.335 4.740 0.002 0.000 0.235 20 N C 1.100 176.591 175.510 -0.033 0.000 1.028 20 N CA 0.050 53.085 53.050 -0.024 0.000 0.906 20 N CB 1.037 39.514 38.487 -0.017 0.000 1.131 20 N HN 1.241 nan 8.380 nan 0.000 0.509 21 G N 3.344 112.117 108.800 -0.046 0.000 2.793 21 G HA2 -0.384 3.577 3.960 0.002 0.000 0.334 21 G HA3 -0.384 3.577 3.960 0.002 0.000 0.334 21 G C -0.940 173.946 174.900 -0.024 0.000 1.186 21 G CA 0.378 45.455 45.100 -0.038 0.000 0.960 21 G HN 0.537 nan 8.290 nan 0.000 0.562 22 P HA 0.167 nan 4.420 nan 0.000 0.216 22 P C 1.282 178.571 177.300 -0.018 0.000 1.150 22 P CA 2.547 65.635 63.100 -0.020 0.000 0.837 22 P CB -0.539 31.148 31.700 -0.022 0.000 0.786 23 G N 0.030 108.818 108.800 -0.020 0.000 2.351 23 G HA2 -0.287 3.674 3.960 0.002 0.000 0.297 23 G HA3 -0.287 3.674 3.960 0.002 0.000 0.297 23 G C 0.420 175.301 174.900 -0.030 0.000 1.054 23 G CA 0.236 45.324 45.100 -0.020 0.000 1.123 23 G HN 0.408 nan 8.290 nan 0.000 0.512 24 Q N -0.823 118.954 119.800 -0.038 0.000 2.246 24 Q HA 0.169 4.510 4.340 0.002 0.000 0.222 24 Q C 0.943 176.902 176.000 -0.068 0.000 0.851 24 Q CA 0.927 56.701 55.803 -0.049 0.000 0.945 24 Q CB 0.741 29.454 28.738 -0.041 0.000 1.122 24 Q HN 0.923 nan 8.270 nan 0.000 0.508 25 E N 0.299 120.459 120.200 -0.065 0.000 2.393 25 E HA 0.493 4.845 4.350 0.002 0.000 0.273 25 E C -2.926 173.629 176.600 -0.075 0.000 0.918 25 E CA -2.563 53.788 56.400 -0.082 0.000 0.773 25 E CB 1.491 31.150 29.700 -0.069 0.000 1.275 25 E HN -0.267 nan 8.360 nan 0.000 0.451 26 P HA 0.036 nan 4.420 nan 0.000 0.269 26 P C 0.501 177.769 177.300 -0.054 0.000 1.217 26 P CA -0.131 62.923 63.100 -0.076 0.000 0.783 26 P CB 0.443 32.087 31.700 -0.094 0.000 0.898 27 I N -1.795 118.749 120.570 -0.043 0.000 3.603 27 I HA 0.495 4.666 4.170 0.002 0.000 0.297 27 I C 0.493 176.586 176.117 -0.040 0.000 1.269 27 I CA 0.231 61.516 61.300 -0.026 0.000 1.361 27 I CB 0.033 38.033 38.000 0.001 0.000 1.063 27 I HN 0.162 nan 8.210 nan 0.000 0.448 28 A N 0.436 123.216 122.820 -0.066 0.000 2.599 28 A HA 0.741 5.062 4.320 0.002 0.000 0.294 28 A C -1.297 176.224 177.584 -0.104 0.000 1.055 28 A CA -0.456 51.532 52.037 -0.082 0.000 0.683 28 A CB 1.601 20.547 19.000 -0.090 0.000 1.278 28 A HN -0.048 nan 8.150 nan 0.000 0.412 29 V N 1.767 121.626 119.914 -0.092 0.000 2.638 29 V HA 0.647 4.768 4.120 0.002 0.000 0.306 29 V C -0.392 175.645 176.094 -0.095 0.000 1.052 29 V CA -0.187 62.067 62.300 -0.077 0.000 0.885 29 V CB 1.652 33.449 31.823 -0.043 0.000 0.999 29 V HN 0.909 nan 8.190 nan 0.000 0.424 30 M N 2.952 122.494 119.600 -0.096 0.000 2.383 30 M HA 0.593 5.075 4.480 0.002 0.000 0.325 30 M C -0.449 175.759 176.300 -0.154 0.000 1.092 30 M CA -0.244 54.942 55.300 -0.189 0.000 0.961 30 M CB 2.513 34.978 32.600 -0.224 0.000 1.672 30 M HN 0.579 nan 8.290 nan 0.000 0.438 31 T N 2.530 116.904 114.554 -0.300 0.000 2.823 31 T HA 0.754 5.106 4.350 0.002 0.000 0.279 31 T C -1.114 173.392 174.700 -0.322 0.000 0.998 31 T CA -0.368 61.651 62.100 -0.135 0.000 0.994 31 T CB 0.764 69.597 68.868 -0.058 0.000 0.960 31 T HN 0.292 nan 8.240 nan 0.000 0.448 32 F N 0.948 120.926 119.950 0.045 0.000 2.577 32 F HA 0.415 4.943 4.527 0.002 0.000 0.318 32 F C 0.226 176.056 175.800 0.050 0.000 1.065 32 F CA -1.318 56.710 58.000 0.046 0.000 0.929 32 F CB 1.315 40.346 39.000 0.051 0.000 1.237 32 F HN 0.367 nan 8.300 nan 0.000 0.468 33 D N 2.149 122.696 120.400 0.245 0.000 2.396 33 D HA 0.161 4.803 4.640 0.002 0.000 0.225 33 D C 0.795 177.186 176.300 0.152 0.000 1.121 33 D CA -0.124 53.969 54.000 0.155 0.000 0.853 33 D CB 1.159 42.023 40.800 0.107 0.000 1.043 33 D HN 0.318 nan 8.370 nan 0.000 0.500 34 L N 3.722 125.025 121.223 0.134 0.000 2.083 34 L HA -0.158 4.184 4.340 0.002 0.000 0.209 34 L C 2.726 179.640 176.870 0.073 0.000 1.083 34 L CA 1.876 56.775 54.840 0.098 0.000 0.752 34 L CB -1.307 40.812 42.059 0.100 0.000 0.899 34 L HN 0.649 nan 8.230 nan 0.000 0.433 35 T N -3.724 110.875 114.554 0.075 0.000 2.929 35 T HA -0.217 4.135 4.350 0.002 0.000 0.271 35 T C 1.746 176.476 174.700 0.050 0.000 1.085 35 T CA 1.274 63.408 62.100 0.057 0.000 1.125 35 T CB -0.249 68.652 68.868 0.056 0.000 0.874 35 T HN 0.325 nan 8.240 nan 0.000 0.494 36 K N 0.236 120.674 120.400 0.063 0.000 2.379 36 K HA 0.254 4.576 4.320 0.002 0.000 0.194 36 K C 0.253 176.887 176.600 0.057 0.000 1.031 36 K CA -0.221 56.102 56.287 0.059 0.000 1.037 36 K CB 0.164 32.707 32.500 0.071 0.000 0.824 36 K HN 0.355 nan 8.250 nan 0.000 0.516 37 I N 2.624 123.226 120.570 0.054 0.000 2.683 37 I HA -0.095 4.076 4.170 0.002 0.000 0.286 37 I C 1.482 177.603 176.117 0.007 0.000 1.175 37 I CA 1.089 62.405 61.300 0.027 0.000 1.429 37 I CB 0.519 38.517 38.000 -0.004 0.000 1.371 37 I HN 0.240 nan 8.210 nan 0.000 0.569 38 T N 1.981 116.536 114.554 0.000 0.000 2.958 38 T HA 0.143 4.494 4.350 0.002 0.000 0.256 38 T C 0.496 175.182 174.700 -0.025 0.000 0.983 38 T CA -0.311 61.784 62.100 -0.008 0.000 0.924 38 T CB 0.528 69.396 68.868 0.000 0.000 1.136 38 T HN 0.547 nan 8.240 nan 0.000 0.506 39 K N 1.895 122.276 120.400 -0.033 0.000 2.376 39 K HA 0.473 4.794 4.320 0.002 0.000 0.257 39 K C 0.471 177.023 176.600 -0.081 0.000 0.939 39 K CA -0.248 56.008 56.287 -0.051 0.000 0.809 39 K CB 1.729 34.203 32.500 -0.044 0.000 1.121 39 K HN 0.088 nan 8.250 nan 0.000 0.425 40 T N -1.146 113.354 114.554 -0.089 0.000 3.054 40 T HA 0.063 4.415 4.350 0.002 0.000 0.255 40 T C 0.706 175.335 174.700 -0.119 0.000 1.035 40 T CA -0.040 61.992 62.100 -0.113 0.000 0.941 40 T CB -0.009 68.798 68.868 -0.102 0.000 1.026 40 T HN 0.448 nan 8.240 nan 0.000 0.533 41 S N 0.977 116.613 115.700 -0.107 0.000 2.632 41 S HA 0.704 5.175 4.470 0.002 0.000 0.271 41 S C -0.307 174.209 174.600 -0.140 0.000 1.260 41 S CA -0.576 57.559 58.200 -0.109 0.000 1.010 41 S CB 1.344 64.484 63.200 -0.100 0.000 0.965 41 S HN 0.251 nan 8.310 nan 0.000 0.534 42 S N 0.816 116.425 115.700 -0.150 0.000 2.549 42 S HA 0.833 5.305 4.470 0.002 0.000 0.280 42 S C -1.041 173.383 174.600 -0.293 0.000 1.109 42 S CA -0.795 57.241 58.200 -0.274 0.000 0.905 42 S CB 1.818 64.866 63.200 -0.254 0.000 1.081 42 S HN 1.160 nan 8.310 nan 0.000 0.477 43 S N 1.390 116.834 115.700 -0.426 0.000 2.570 43 S HA 0.957 5.428 4.470 0.002 0.000 0.270 43 S C -1.157 173.249 174.600 -0.322 0.000 1.149 43 S CA -0.958 57.001 58.200 -0.401 0.000 0.837 43 S CB 1.461 64.483 63.200 -0.297 0.000 1.124 43 S HN 1.068 nan 8.310 nan 0.000 0.465 44 F N -1.804 118.008 119.950 -0.230 0.000 2.900 44 F HA 0.740 5.268 4.527 0.002 0.000 0.321 44 F C -1.679 174.120 175.800 -0.002 0.000 1.160 44 F CA -1.065 56.847 58.000 -0.146 0.000 0.890 44 F CB 0.549 39.473 39.000 -0.127 0.000 1.334 44 F HN 0.626 nan 8.300 nan 0.000 0.459 45 E N 0.931 121.331 120.200 0.333 0.000 2.238 45 E HA 0.677 5.028 4.350 0.002 0.000 0.267 45 E C -1.697 175.327 176.600 0.706 0.000 0.887 45 E CA -1.327 55.283 56.400 0.351 0.000 0.769 45 E CB 3.174 32.928 29.700 0.089 0.000 1.187 45 E HN 0.615 nan 8.360 nan 0.000 0.416 46 V N 2.534 122.873 119.914 0.708 0.000 2.925 46 V HA 0.614 4.735 4.120 0.002 0.000 0.311 46 V C -1.429 174.770 176.094 0.174 0.000 1.104 46 V CA -0.601 62.020 62.300 0.536 0.000 0.954 46 V CB 2.080 34.199 31.823 0.493 0.000 1.022 46 V HN 0.668 nan 8.190 nan 0.000 0.427 47 R N 2.806 123.129 120.500 -0.296 0.000 2.621 47 R HA 0.767 5.108 4.340 0.002 0.000 0.284 47 R C -1.329 174.721 176.300 -0.417 0.000 0.998 47 R CA -0.046 55.658 56.100 -0.660 0.000 0.895 47 R CB 2.204 31.550 30.300 -1.589 0.000 1.195 47 R HN 0.923 nan 8.270 nan 0.000 0.450 48 T N 1.647 115.956 114.554 -0.409 0.000 2.770 48 T HA 0.308 4.660 4.350 0.002 0.000 0.323 48 T C -1.392 173.064 174.700 -0.406 0.000 1.683 48 T CA -0.475 61.455 62.100 -0.284 0.000 1.024 48 T CB 0.668 69.486 68.868 -0.084 0.000 1.557 48 T HN 0.699 nan 8.240 nan 0.000 0.494 49 W N 0.766 122.054 121.300 -0.020 0.000 2.870 49 W HA 0.375 5.037 4.660 0.002 0.000 0.358 49 W C 0.320 176.842 176.519 0.004 0.000 1.043 49 W CA -0.458 56.882 57.345 -0.008 0.000 1.692 49 W CB 0.697 30.150 29.460 -0.012 0.000 1.100 49 W HN 0.516 nan 8.180 nan 0.000 0.557 50 D N 2.167 122.664 120.400 0.161 0.000 2.317 50 D HA 0.076 4.718 4.640 0.002 0.000 0.252 50 D C -1.145 175.200 176.300 0.076 0.000 1.174 50 D CA -1.887 52.180 54.000 0.112 0.000 0.866 50 D CB 1.823 42.674 40.800 0.086 0.000 1.127 50 D HN -0.056 nan 8.370 nan 0.000 0.467 51 P HA 0.022 nan 4.420 nan 0.000 0.240 51 P C -0.090 177.231 177.300 0.036 0.000 1.190 51 P CA 0.400 63.530 63.100 0.050 0.000 0.781 51 P CB 0.731 32.462 31.700 0.052 0.000 0.931 52 E N -0.372 119.850 120.200 0.037 0.000 2.308 52 E HA 0.555 4.906 4.350 0.002 0.000 0.275 52 E C -1.003 175.613 176.600 0.027 0.000 0.890 52 E CA -0.796 55.620 56.400 0.028 0.000 0.754 52 E CB 1.866 31.579 29.700 0.023 0.000 1.207 52 E HN 0.080 nan 8.360 nan 0.000 0.426 53 G N 0.881 109.694 108.800 0.021 0.000 2.336 53 G HA2 0.175 4.136 3.960 0.002 0.000 0.300 53 G HA3 0.175 4.136 3.960 0.002 0.000 0.300 53 G C -1.568 173.341 174.900 0.015 0.000 1.375 53 G CA -0.647 44.464 45.100 0.018 0.000 0.885 53 G HN 0.400 nan 8.290 nan 0.000 0.599 54 V N 1.436 121.354 119.914 0.007 0.000 2.406 54 V HA 0.331 4.452 4.120 0.002 0.000 0.272 54 V C 1.324 177.441 176.094 0.039 0.000 1.043 54 V CA -0.251 62.053 62.300 0.006 0.000 0.915 54 V CB 1.049 32.862 31.823 -0.016 0.000 0.988 54 V HN 0.662 nan 8.190 nan 0.000 0.466 55 I N 4.383 124.990 120.570 0.063 0.000 2.385 55 I HA 0.140 4.311 4.170 0.002 0.000 0.244 55 I C 0.499 176.736 176.117 0.200 0.000 1.089 55 I CA 1.255 62.628 61.300 0.123 0.000 1.410 55 I CB 0.227 38.352 38.000 0.207 0.000 1.117 55 I HN 0.697 nan 8.210 nan 0.000 0.429 56 F N -0.936 119.069 119.950 0.092 0.000 2.678 56 F HA 0.528 5.056 4.527 0.002 0.000 0.308 56 F C -1.414 174.520 175.800 0.224 0.000 1.118 56 F CA -1.502 56.552 58.000 0.091 0.000 0.959 56 F CB 0.873 39.889 39.000 0.025 0.000 1.305 56 F HN -0.124 nan 8.300 nan 0.000 0.443 57 Y N 1.398 121.849 120.300 0.252 0.000 2.536 57 Y HA 0.865 5.417 4.550 0.002 0.000 0.347 57 Y C -0.709 175.423 175.900 0.387 0.000 1.000 57 Y CA -0.840 57.366 58.100 0.177 0.000 1.051 57 Y CB 2.440 40.881 38.460 -0.032 0.000 1.259 57 Y HN 1.096 nan 8.280 nan 0.000 0.468 58 G N 3.260 111.930 108.800 -0.217 0.000 2.706 58 G HA2 0.532 4.494 3.960 0.002 0.000 0.297 58 G HA3 0.532 4.494 3.960 0.002 0.000 0.297 58 G C -2.344 172.425 174.900 -0.219 0.000 1.403 58 G CA -0.685 44.415 45.100 0.000 0.000 0.954 58 G HN 0.833 nan 8.290 nan 0.000 0.500 59 D N -1.501 118.932 120.400 0.055 0.000 2.639 59 D HA 0.551 5.192 4.640 0.002 0.000 0.271 59 D C 0.513 176.947 176.300 0.224 0.000 1.254 59 D CA 0.111 54.218 54.000 0.178 0.000 0.810 59 D CB 1.072 42.065 40.800 0.322 0.000 1.351 59 D HN 0.581 nan 8.370 nan 0.000 0.427 60 T N -2.925 111.780 114.554 0.251 0.000 2.986 60 T HA 0.292 4.643 4.350 0.002 0.000 0.264 60 T C 0.151 174.997 174.700 0.243 0.000 0.964 60 T CA -0.192 62.057 62.100 0.249 0.000 0.895 60 T CB -0.162 68.885 68.868 0.299 0.000 1.163 60 T HN 0.523 nan 8.240 nan 0.000 0.517 61 N N 1.250 120.114 118.700 0.272 0.000 2.648 61 N HA 0.243 4.985 4.740 0.002 0.000 0.272 61 N C -2.768 172.940 175.510 0.330 0.000 1.118 61 N CA -1.414 51.784 53.050 0.246 0.000 0.973 61 N CB 2.536 41.145 38.487 0.203 0.000 1.565 61 N HN -0.166 nan 8.380 nan 0.000 0.542 62 P HA -0.109 nan 4.420 nan 0.000 0.220 62 P C 0.818 178.275 177.300 0.261 0.000 1.148 62 P CA 1.072 64.409 63.100 0.396 0.000 0.803 62 P CB 0.892 32.779 31.700 0.312 0.000 0.782 63 K N 0.302 120.806 120.400 0.173 0.000 1.984 63 K HA -0.120 4.201 4.320 0.002 0.000 0.209 63 K C 1.030 177.721 176.600 0.151 0.000 1.046 63 K CA 2.019 58.355 56.287 0.082 0.000 0.934 63 K CB -0.217 32.318 32.500 0.058 0.000 0.717 63 K HN 0.273 nan 8.250 nan 0.000 0.438 64 D N -1.651 118.877 120.400 0.215 0.000 2.582 64 D HA 0.073 4.715 4.640 0.002 0.000 0.246 64 D C -0.670 175.755 176.300 0.209 0.000 1.334 64 D CA -0.274 53.863 54.000 0.229 0.000 0.805 64 D CB 0.488 41.351 40.800 0.105 0.000 1.087 64 D HN -0.119 nan 8.370 nan 0.000 0.499 65 D N 1.397 121.976 120.400 0.298 0.000 2.586 65 D HA 0.108 4.750 4.640 0.002 0.000 0.254 65 D C -1.121 175.375 176.300 0.327 0.000 1.248 65 D CA -0.451 53.674 54.000 0.207 0.000 0.843 65 D CB 0.731 41.675 40.800 0.239 0.000 1.332 65 D HN 0.326 nan 8.370 nan 0.000 0.523 66 W N 1.869 123.285 121.300 0.194 0.000 3.032 66 W HA 0.696 5.357 4.660 0.002 0.000 0.341 66 W C -2.077 174.525 176.519 0.138 0.000 1.202 66 W CA -1.205 56.208 57.345 0.112 0.000 1.132 66 W CB 1.216 30.799 29.460 0.205 0.000 1.465 66 W HN 0.038 nan 8.180 nan 0.000 0.576 67 F N 2.876 122.904 119.950 0.131 0.000 2.619 67 F HA 0.710 5.238 4.527 0.003 0.000 0.308 67 F C -1.381 174.435 175.800 0.028 0.000 1.097 67 F CA -1.132 56.883 58.000 0.025 0.000 0.953 67 F CB 2.303 41.274 39.000 -0.048 0.000 1.287 67 F HN 0.310 nan 8.300 nan 0.000 0.446 68 M N 7.348 126.628 119.600 -0.533 0.000 2.271 68 M HA 0.464 4.945 4.480 0.002 0.000 0.285 68 M C -2.476 173.376 176.300 -0.747 0.000 1.059 68 M CA -0.798 54.281 55.300 -0.369 0.000 0.940 68 M CB 1.953 34.592 32.600 0.065 0.000 1.636 68 M HN 0.753 nan 8.290 nan 0.000 0.460 69 L N 5.079 125.932 121.223 -0.616 0.000 2.333 69 L HA 0.980 5.321 4.340 0.002 0.000 0.280 69 L C -0.564 176.202 176.870 -0.173 0.000 1.004 69 L CA 0.317 54.908 54.840 -0.415 0.000 0.820 69 L CB 1.657 43.520 42.059 -0.327 0.000 1.247 69 L HN 0.796 nan 8.230 nan 0.000 0.416 70 G N 4.415 113.165 108.800 -0.083 0.000 2.815 70 G HA2 0.580 4.542 3.960 0.002 0.000 0.305 70 G HA3 0.580 4.542 3.960 0.002 0.000 0.305 70 G C -1.854 173.054 174.900 0.013 0.000 1.277 70 G CA -0.822 44.271 45.100 -0.012 0.000 0.795 70 G HN 0.597 nan 8.290 nan 0.000 0.528 71 L N 0.111 121.346 121.223 0.020 0.000 2.362 71 L HA 0.758 5.100 4.340 0.002 0.000 0.271 71 L C -0.193 176.686 176.870 0.014 0.000 1.002 71 L CA -0.861 53.991 54.840 0.020 0.000 0.818 71 L CB 2.432 44.509 42.059 0.030 0.000 1.298 71 L HN 0.513 nan 8.230 nan 0.000 0.420 72 R N 2.423 122.929 120.500 0.010 0.000 2.510 72 R HA 0.203 4.544 4.340 0.002 0.000 0.287 72 R C -1.248 175.059 176.300 0.011 0.000 1.084 72 R CA -0.406 55.701 56.100 0.012 0.000 0.934 72 R CB 1.278 31.584 30.300 0.010 0.000 1.201 72 R HN 0.766 nan 8.270 nan 0.000 0.431 73 D N 3.351 123.761 120.400 0.016 0.000 2.723 73 D HA -0.191 4.450 4.640 0.002 0.000 0.236 73 D C 0.746 177.054 176.300 0.015 0.000 1.138 73 D CA 1.771 55.782 54.000 0.017 0.000 0.676 73 D CB -0.881 39.927 40.800 0.013 0.000 1.069 73 D HN 1.095 nan 8.370 nan 0.000 0.430 74 G N -0.421 108.389 108.800 0.017 0.000 2.245 74 G HA2 -0.396 3.566 3.960 0.002 0.000 0.264 74 G HA3 -0.396 3.566 3.960 0.002 0.000 0.264 74 G C 0.452 175.345 174.900 -0.012 0.000 0.985 74 G CA 0.879 45.984 45.100 0.008 0.000 0.625 74 G HN 0.547 nan 8.290 nan 0.000 0.536 75 R N 0.670 121.165 120.500 -0.009 0.000 2.668 75 R HA 0.529 4.870 4.340 0.002 0.000 0.279 75 R C -2.708 173.586 176.300 -0.009 0.000 0.976 75 R CA -2.221 53.868 56.100 -0.019 0.000 0.978 75 R CB 1.083 31.373 30.300 -0.016 0.000 1.133 75 R HN 0.022 nan 8.270 nan 0.000 0.484 76 P HA -0.082 nan 4.420 nan 0.000 0.265 76 P C -1.090 176.205 177.300 -0.008 0.000 1.187 76 P CA 0.424 63.528 63.100 0.006 0.000 0.766 76 P CB 0.516 32.222 31.700 0.011 0.000 0.820 77 E N 2.798 122.985 120.200 -0.021 0.000 2.275 77 E HA 0.498 4.849 4.350 0.002 0.000 0.270 77 E C -1.402 175.136 176.600 -0.102 0.000 0.882 77 E CA -0.564 55.810 56.400 -0.042 0.000 0.758 77 E CB 1.121 30.805 29.700 -0.027 0.000 1.195 77 E HN 0.277 nan 8.360 nan 0.000 0.419 78 I N 3.401 123.893 120.570 -0.130 0.000 2.433 78 I HA 0.288 4.460 4.170 0.002 0.000 0.292 78 I C -0.433 175.549 176.117 -0.225 0.000 1.001 78 I CA -0.664 60.466 61.300 -0.283 0.000 1.119 78 I CB 1.994 39.839 38.000 -0.258 0.000 1.289 78 I HN 0.475 nan 8.210 nan 0.000 0.438 79 Q N 6.138 125.774 119.800 -0.274 0.000 2.337 79 Q HA 0.717 5.058 4.340 0.002 0.000 0.266 79 Q C -1.381 174.432 176.000 -0.312 0.000 1.023 79 Q CA -0.739 54.992 55.803 -0.119 0.000 0.829 79 Q CB 3.483 32.330 28.738 0.181 0.000 1.306 79 Q HN 0.502 nan 8.270 nan 0.000 0.449 80 L N 1.912 122.919 121.223 -0.360 0.000 2.455 80 L HA 0.565 4.906 4.340 0.002 0.000 0.264 80 L C -1.884 174.649 176.870 -0.563 0.000 0.968 80 L CA -0.595 53.999 54.840 -0.410 0.000 0.827 80 L CB 2.027 44.021 42.059 -0.108 0.000 1.317 80 L HN 0.807 nan 8.230 nan 0.000 0.407 81 H N 4.078 122.594 119.070 -0.924 0.000 3.108 81 H HA 0.561 5.119 4.556 0.002 0.000 0.329 81 H C -1.262 173.783 175.328 -0.472 0.000 0.978 81 H CA -0.442 55.151 56.048 -0.758 0.000 1.413 81 H CB 0.932 30.043 29.762 -1.085 0.000 1.670 81 H HN 0.811 nan 8.280 nan 0.000 0.512 82 N N 1.529 119.971 118.700 -0.431 0.000 3.344 82 N HA 0.079 4.820 4.740 0.002 0.000 0.296 82 N C 0.332 175.626 175.510 -0.359 0.000 1.571 82 N CA -0.767 52.120 53.050 -0.271 0.000 0.844 82 N CB 0.511 39.002 38.487 0.006 0.000 1.718 82 N HN 0.392 nan 8.380 nan 0.000 0.589 83 H N -0.862 118.043 119.070 -0.276 0.000 2.422 83 H HA -0.043 4.515 4.556 0.003 0.000 0.298 83 H C 0.379 175.379 175.328 -0.547 0.000 1.098 83 H CA 1.842 57.559 56.048 -0.551 0.000 1.315 83 H CB 0.189 29.353 29.762 -0.998 0.000 1.382 83 H HN 0.554 nan 8.280 nan 0.000 0.523 84 W N 0.047 121.350 121.300 0.005 0.000 2.704 84 W HA 0.485 5.146 4.660 0.001 0.000 0.266 84 W C 0.771 177.242 176.519 -0.080 0.000 1.266 84 W CA 0.593 57.920 57.345 -0.030 0.000 1.377 84 W CB 0.618 30.064 29.460 -0.023 0.000 1.082 84 W HN 0.017 nan 8.180 nan 0.000 0.608 85 A N 0.565 123.439 122.820 0.091 0.000 2.587 85 A HA 0.672 4.994 4.320 0.002 0.000 0.293 85 A C -1.476 176.004 177.584 -0.173 0.000 1.087 85 A CA -0.513 51.512 52.037 -0.021 0.000 0.692 85 A CB 1.515 20.531 19.000 0.026 0.000 1.291 85 A HN -0.010 nan 8.150 nan 0.000 0.407 86 Q N 0.094 119.799 119.800 -0.158 0.000 2.295 86 Q HA 0.624 4.965 4.340 0.002 0.000 0.259 86 Q C -1.116 174.832 176.000 -0.088 0.000 0.966 86 Q CA -0.249 55.438 55.803 -0.193 0.000 0.763 86 Q CB 2.138 30.754 28.738 -0.203 0.000 1.283 86 Q HN 0.958 nan 8.270 nan 0.000 0.445 87 L N -1.897 119.272 121.223 -0.089 0.000 2.568 87 L HA 0.976 5.317 4.340 0.002 0.000 0.257 87 L C -0.846 176.001 176.870 -0.038 0.000 1.024 87 L CA -0.623 54.190 54.840 -0.046 0.000 0.854 87 L CB 2.318 44.352 42.059 -0.041 0.000 1.460 87 L HN 0.256 nan 8.230 nan 0.000 0.409 88 T N 0.949 115.496 114.554 -0.012 0.000 2.985 88 T HA 0.745 5.096 4.350 0.002 0.000 0.315 88 T C -1.059 173.636 174.700 -0.009 0.000 1.001 88 T CA -0.438 61.661 62.100 -0.001 0.000 1.016 88 T CB 1.370 70.257 68.868 0.031 0.000 0.993 88 T HN 0.550 nan 8.240 nan 0.000 0.454 89 V N 2.252 122.152 119.914 -0.023 0.000 2.686 89 V HA 0.826 4.947 4.120 0.002 0.000 0.306 89 V C 0.476 176.559 176.094 -0.019 0.000 1.065 89 V CA -0.849 61.441 62.300 -0.017 0.000 0.894 89 V CB 2.185 33.998 31.823 -0.016 0.000 1.004 89 V HN 0.956 nan 8.190 nan 0.000 0.424 90 G N 2.362 111.156 108.800 -0.010 0.000 2.389 90 G HA2 0.894 4.855 3.960 0.002 0.000 0.328 90 G HA3 0.894 4.855 3.960 0.002 0.000 0.328 90 G C -0.568 174.328 174.900 -0.007 0.000 1.133 90 G CA 0.037 45.132 45.100 -0.009 0.000 0.891 90 G HN 1.351 nan 8.290 nan 0.000 0.485 91 A N -0.141 122.674 122.820 -0.008 0.000 2.566 91 A HA 1.010 5.331 4.320 0.002 0.000 0.290 91 A C 0.203 177.779 177.584 -0.013 0.000 1.071 91 A CA 0.446 52.478 52.037 -0.008 0.000 0.658 91 A CB 0.918 19.916 19.000 -0.003 0.000 1.285 91 A HN 2.745 nan 8.150 nan 0.000 0.427 92 G N -0.217 108.573 108.800 -0.017 0.000 2.795 92 G HA2 0.179 4.140 3.960 0.002 0.000 0.664 92 G HA3 0.179 4.140 3.960 0.002 0.000 0.664 92 G C -2.547 172.331 174.900 -0.037 0.000 1.381 92 G CA -0.154 44.929 45.100 -0.028 0.000 0.853 92 G HN 1.162 nan 8.290 nan 0.000 0.545 93 P HA 0.381 nan 4.420 nan 0.000 0.276 93 P C -0.001 177.247 177.300 -0.086 0.000 1.261 93 P CA -0.539 62.525 63.100 -0.060 0.000 0.800 93 P CB 0.721 32.382 31.700 -0.065 0.000 1.066 94 R N 0.399 120.858 120.500 -0.069 0.000 2.590 94 R HA 0.202 4.544 4.340 0.002 0.000 0.274 94 R C 0.840 177.048 176.300 -0.154 0.000 1.061 94 R CA -0.059 55.998 56.100 -0.071 0.000 1.081 94 R CB 0.126 30.410 30.300 -0.026 0.000 0.984 94 R HN 0.507 nan 8.270 nan 0.000 0.448 95 L N 1.757 122.882 121.223 -0.163 0.000 2.858 95 L HA 0.084 4.426 4.340 0.002 0.000 0.251 95 L C 0.308 177.128 176.870 -0.084 0.000 1.149 95 L CA -0.031 54.639 54.840 -0.283 0.000 0.955 95 L CB 0.225 42.121 42.059 -0.272 0.000 1.289 95 L HN 0.643 nan 8.230 nan 0.000 0.542 96 D N -0.683 119.679 120.400 -0.064 0.000 3.060 96 D HA -0.035 4.606 4.640 0.002 0.000 0.245 96 D C 0.405 176.627 176.300 -0.129 0.000 1.274 96 D CA -0.202 53.754 54.000 -0.074 0.000 0.864 96 D CB -0.041 40.769 40.800 0.017 0.000 1.073 96 D HN 0.273 nan 8.370 nan 0.000 0.473 97 D N -1.522 118.740 120.400 -0.230 0.000 2.424 97 D HA 0.169 4.810 4.640 0.002 0.000 0.220 97 D C 1.573 177.317 176.300 -0.927 0.000 1.150 97 D CA -0.193 53.616 54.000 -0.319 0.000 0.831 97 D CB -0.248 40.516 40.800 -0.060 0.000 0.981 97 D HN 0.253 nan 8.370 nan 0.000 0.500 98 G N 0.694 108.624 108.800 -1.451 0.000 2.175 98 G HA2 -0.357 3.604 3.960 0.002 0.000 0.265 98 G HA3 -0.357 3.604 3.960 0.002 0.000 0.265 98 G C 0.277 174.696 174.900 -0.802 0.000 0.979 98 G CA 0.251 44.326 45.100 -1.709 0.000 0.663 98 G HN 0.481 nan 8.290 nan 0.000 0.533 99 R N -1.527 118.619 120.500 -0.590 0.000 2.643 99 R HA 0.498 4.839 4.340 0.002 0.000 0.272 99 R C -0.300 175.611 176.300 -0.647 0.000 0.995 99 R CA -0.913 54.879 56.100 -0.514 0.000 1.032 99 R CB 0.883 30.932 30.300 -0.419 0.000 1.126 99 R HN 0.210 nan 8.270 nan 0.000 0.505 100 W N 2.094 123.162 121.300 -0.388 0.000 2.253 100 W HA 0.092 4.754 4.660 0.002 0.000 0.322 100 W C 0.395 176.650 176.519 -0.439 0.000 1.342 100 W CA 0.240 57.413 57.345 -0.286 0.000 1.218 100 W CB 0.556 29.927 29.460 -0.150 0.000 1.205 100 W HN 0.220 nan 8.180 nan 0.000 0.551 101 H N 2.605 121.835 119.070 0.268 0.000 2.589 101 H HA 0.141 4.698 4.556 0.002 0.000 0.351 101 H C -0.632 174.758 175.328 0.103 0.000 1.074 101 H CA -0.914 55.212 56.048 0.130 0.000 1.203 101 H CB 1.896 31.695 29.762 0.062 0.000 1.558 101 H HN 0.379 nan 8.280 nan 0.000 0.522 102 Q N 2.782 122.660 119.800 0.130 0.000 2.288 102 Q HA 0.398 4.739 4.340 0.002 0.000 0.258 102 Q C -1.222 174.702 176.000 -0.127 0.000 0.957 102 Q CA -0.503 55.287 55.803 -0.022 0.000 0.919 102 Q CB 0.696 29.407 28.738 -0.045 0.000 1.185 102 Q HN 0.358 nan 8.270 nan 0.000 0.408 103 V N 4.225 123.908 119.914 -0.384 0.000 2.588 103 V HA 0.442 4.563 4.120 0.002 0.000 0.304 103 V C -0.771 174.953 176.094 -0.617 0.000 1.042 103 V CA -0.740 61.239 62.300 -0.535 0.000 0.877 103 V CB 1.998 33.347 31.823 -0.790 0.000 0.996 103 V HN 0.833 nan 8.190 nan 0.000 0.425 104 E N 2.732 122.745 120.200 -0.311 0.000 2.256 104 E HA 0.668 5.020 4.350 0.002 0.000 0.268 104 E C -1.702 174.862 176.600 -0.059 0.000 0.877 104 E CA -0.626 55.650 56.400 -0.206 0.000 0.757 104 E CB 2.965 32.574 29.700 -0.151 0.000 1.183 104 E HN 0.419 nan 8.360 nan 0.000 0.418 105 V N 3.635 123.555 119.914 0.009 0.000 2.483 105 V HA 0.435 4.556 4.120 0.002 0.000 0.297 105 V C -0.406 175.696 176.094 0.014 0.000 1.027 105 V CA -0.697 61.664 62.300 0.101 0.000 0.855 105 V CB 1.480 33.498 31.823 0.325 0.000 0.995 105 V HN 0.656 nan 8.190 nan 0.000 0.424 106 K N 4.177 124.569 120.400 -0.012 0.000 2.533 106 K HA 0.781 5.102 4.320 0.002 0.000 0.272 106 K C -1.393 175.171 176.600 -0.060 0.000 0.985 106 K CA -1.033 55.223 56.287 -0.051 0.000 0.876 106 K CB 2.487 34.953 32.500 -0.057 0.000 1.452 106 K HN 0.423 nan 8.250 nan 0.000 0.439 107 M N 1.532 121.085 119.600 -0.078 0.000 2.264 107 M HA 0.243 4.724 4.480 0.002 0.000 0.352 107 M C -0.913 175.343 176.300 -0.073 0.000 1.173 107 M CA -0.407 54.843 55.300 -0.084 0.000 1.075 107 M CB 1.518 34.057 32.600 -0.103 0.000 1.621 107 M HN 0.717 nan 8.290 nan 0.000 0.457 108 E N 2.174 122.332 120.200 -0.071 0.000 2.460 108 E HA 0.507 4.858 4.350 0.002 0.000 0.249 108 E C 0.104 176.660 176.600 -0.073 0.000 0.962 108 E CA 0.457 56.819 56.400 -0.063 0.000 0.787 108 E CB 0.676 30.346 29.700 -0.051 0.000 1.341 108 E HN 0.832 nan 8.360 nan 0.000 0.407 109 G N 4.572 113.324 108.800 -0.080 0.000 2.561 109 G HA2 -0.376 3.586 3.960 0.002 0.000 0.289 109 G HA3 -0.376 3.586 3.960 0.002 0.000 0.289 109 G C 0.487 175.312 174.900 -0.125 0.000 1.169 109 G CA 0.418 45.463 45.100 -0.092 0.000 0.980 109 G HN 0.676 nan 8.290 nan 0.000 0.550 110 D N 0.797 121.115 120.400 -0.138 0.000 2.325 110 D HA 0.393 5.034 4.640 0.002 0.000 0.225 110 D C 0.961 177.169 176.300 -0.153 0.000 1.096 110 D CA 0.853 54.737 54.000 -0.192 0.000 0.844 110 D CB 0.108 40.778 40.800 -0.217 0.000 0.925 110 D HN 0.450 nan 8.370 nan 0.000 0.513 111 S N -0.707 114.929 115.700 -0.107 0.000 2.638 111 S HA 0.593 5.064 4.470 0.002 0.000 0.298 111 S C -0.430 174.135 174.600 -0.059 0.000 1.111 111 S CA -0.821 57.336 58.200 -0.072 0.000 1.027 111 S CB 2.350 65.519 63.200 -0.051 0.000 1.064 111 S HN 0.019 nan 8.310 nan 0.000 0.525 112 V N 2.902 122.801 119.914 -0.025 0.000 2.384 112 V HA 0.472 4.593 4.120 0.002 0.000 0.287 112 V C -0.753 175.355 176.094 0.024 0.000 1.020 112 V CA -0.638 61.662 62.300 -0.000 0.000 0.850 112 V CB 1.278 33.134 31.823 0.055 0.000 0.987 112 V HN 0.666 nan 8.190 nan 0.000 0.436 113 L N 6.357 127.588 121.223 0.013 0.000 2.329 113 L HA 0.773 5.114 4.340 0.002 0.000 0.279 113 L C -1.002 175.891 176.870 0.038 0.000 1.014 113 L CA -0.461 54.388 54.840 0.016 0.000 0.814 113 L CB 1.641 43.694 42.059 -0.010 0.000 1.257 113 L HN 0.609 nan 8.230 nan 0.000 0.424 114 L N 4.193 125.439 121.223 0.039 0.000 2.349 114 L HA 0.587 4.928 4.340 0.002 0.000 0.278 114 L C -0.993 175.881 176.870 0.008 0.000 0.996 114 L CA 0.064 54.932 54.840 0.048 0.000 0.825 114 L CB 1.595 43.699 42.059 0.075 0.000 1.243 114 L HN 0.740 nan 8.230 nan 0.000 0.412 115 E N 4.090 124.280 120.200 -0.017 0.000 2.199 115 E HA 0.632 4.983 4.350 0.002 0.000 0.269 115 E C -1.397 175.171 176.600 -0.054 0.000 0.899 115 E CA -0.911 55.467 56.400 -0.036 0.000 0.772 115 E CB 2.792 32.463 29.700 -0.049 0.000 1.155 115 E HN 0.387 nan 8.360 nan 0.000 0.408 116 V N 3.059 122.948 119.914 -0.042 0.000 2.531 116 V HA 0.107 4.228 4.120 0.002 0.000 0.301 116 V C -0.468 175.615 176.094 -0.019 0.000 1.034 116 V CA -0.786 61.489 62.300 -0.042 0.000 0.865 116 V CB 1.629 33.423 31.823 -0.049 0.000 0.995 116 V HN 0.780 nan 8.190 nan 0.000 0.424 117 D N 4.342 124.744 120.400 0.002 0.000 2.686 117 D HA -0.207 4.435 4.640 0.002 0.000 0.235 117 D C 1.337 177.636 176.300 -0.001 0.000 1.160 117 D CA 1.726 55.742 54.000 0.026 0.000 0.645 117 D CB -0.983 39.865 40.800 0.080 0.000 1.039 117 D HN 1.431 nan 8.370 nan 0.000 0.423 118 G N -0.926 107.859 108.800 -0.025 0.000 2.205 118 G HA2 -0.322 3.639 3.960 0.002 0.000 0.261 118 G HA3 -0.322 3.639 3.960 0.002 0.000 0.261 118 G C 0.030 174.915 174.900 -0.025 0.000 0.980 118 G CA 0.487 45.570 45.100 -0.029 0.000 0.632 118 G HN 0.427 nan 8.290 nan 0.000 0.533 119 E N 0.736 120.924 120.200 -0.021 0.000 2.179 119 E HA 0.389 4.741 4.350 0.002 0.000 0.275 119 E C -0.044 176.544 176.600 -0.021 0.000 0.945 119 E CA -0.680 55.709 56.400 -0.018 0.000 0.792 119 E CB 1.771 31.464 29.700 -0.012 0.000 1.125 119 E HN 0.534 nan 8.360 nan 0.000 0.397 120 E N 1.873 122.061 120.200 -0.019 0.000 2.366 120 E HA 0.069 4.420 4.350 0.002 0.000 0.266 120 E C 0.618 177.210 176.600 -0.013 0.000 1.015 120 E CA -0.089 56.301 56.400 -0.017 0.000 0.906 120 E CB 0.576 30.267 29.700 -0.016 0.000 0.979 120 E HN 0.355 nan 8.360 nan 0.000 0.443 121 V N 2.650 122.558 119.914 -0.010 0.000 3.604 121 V HA 0.367 4.489 4.120 0.002 0.000 0.277 121 V C -0.241 175.852 176.094 -0.003 0.000 1.399 121 V CA -0.307 61.988 62.300 -0.008 0.000 1.034 121 V CB 0.310 32.125 31.823 -0.013 0.000 0.824 121 V HN 0.455 nan 8.190 nan 0.000 0.439 122 L N 0.917 122.142 121.223 0.003 0.000 2.611 122 L HA 0.675 5.016 4.340 0.002 0.000 0.260 122 L C -1.044 175.833 176.870 0.012 0.000 0.924 122 L CA -0.571 54.274 54.840 0.008 0.000 0.901 122 L CB 2.127 44.195 42.059 0.016 0.000 1.369 122 L HN 0.295 nan 8.230 nan 0.000 0.415 123 R N 5.123 125.627 120.500 0.007 0.000 2.473 123 R HA 0.660 5.001 4.340 0.002 0.000 0.303 123 R C -1.828 174.475 176.300 0.005 0.000 1.002 123 R CA -0.582 55.521 56.100 0.005 0.000 0.884 123 R CB 1.041 31.337 30.300 -0.006 0.000 1.173 123 R HN 0.753 nan 8.270 nan 0.000 0.464 124 L N 5.620 126.852 121.223 0.014 0.000 2.268 124 L HA 0.483 4.824 4.340 0.002 0.000 0.289 124 L C 0.343 177.209 176.870 -0.006 0.000 1.064 124 L CA -0.489 54.358 54.840 0.011 0.000 0.824 124 L CB 0.984 43.064 42.059 0.034 0.000 1.202 124 L HN 0.483 nan 8.230 nan 0.000 0.433 125 R N 2.719 123.210 120.500 -0.014 0.000 2.500 125 R HA 0.347 4.688 4.340 0.002 0.000 0.277 125 R C -0.111 176.168 176.300 -0.035 0.000 1.026 125 R CA -0.689 55.393 56.100 -0.030 0.000 1.058 125 R CB 0.860 31.144 30.300 -0.027 0.000 1.078 125 R HN 0.530 nan 8.270 nan 0.000 0.509 126 Q N -0.514 119.247 119.800 -0.064 0.000 2.468 126 Q HA -0.147 4.194 4.340 0.002 0.000 0.289 126 Q C 0.627 176.585 176.000 -0.069 0.000 1.299 126 Q CA 0.648 56.404 55.803 -0.078 0.000 0.838 126 Q CB -1.579 27.140 28.738 -0.032 0.000 1.195 126 Q HN 0.648 nan 8.270 nan 0.000 0.456 127 V N -4.003 115.855 119.914 -0.094 0.000 3.643 127 V HA 0.337 4.458 4.120 0.002 0.000 0.280 127 V C 0.491 176.520 176.094 -0.108 0.000 1.351 127 V CA 0.847 63.126 62.300 -0.035 0.000 1.073 127 V CB 1.138 32.962 31.823 0.002 0.000 0.863 127 V HN 0.411 nan 8.190 nan 0.000 0.436 128 S N -0.855 114.613 115.700 -0.386 0.000 2.550 128 S HA 0.812 5.283 4.470 0.002 0.000 0.270 128 S C -0.137 173.881 174.600 -0.970 0.000 1.145 128 S CA -0.073 57.727 58.200 -0.668 0.000 0.852 128 S CB 1.243 64.269 63.200 -0.291 0.000 1.119 128 S HN 0.841 nan 8.310 nan 0.000 0.465 129 G N 0.288 108.276 108.800 -1.353 0.000 2.531 129 G HA2 0.709 4.670 3.960 0.002 0.000 0.313 129 G HA3 0.709 4.670 3.960 0.002 0.000 0.313 129 G C -3.145 171.526 174.900 -0.383 0.000 1.238 129 G CA -2.293 42.322 45.100 -0.808 0.000 0.994 129 G HN 0.563 nan 8.290 nan 0.000 0.493 130 P HA 0.033 nan 4.420 nan 0.000 0.264 130 P C 0.968 178.216 177.300 -0.086 0.000 1.183 130 P CA 0.004 63.030 63.100 -0.123 0.000 0.763 130 P CB 0.754 32.411 31.700 -0.073 0.000 0.807 131 L N 2.358 123.537 121.223 -0.074 0.000 1.973 131 L HA -0.177 4.165 4.340 0.002 0.000 0.208 131 L C 2.516 179.385 176.870 -0.002 0.000 1.073 131 L CA 2.425 57.240 54.840 -0.041 0.000 0.746 131 L CB -1.467 40.563 42.059 -0.047 0.000 0.891 131 L HN 0.475 nan 8.230 nan 0.000 0.433 132 T N -2.025 112.528 114.554 -0.001 0.000 2.680 132 T HA -0.212 4.139 4.350 0.002 0.000 0.268 132 T C 1.339 176.064 174.700 0.042 0.000 1.033 132 T CA 1.321 63.435 62.100 0.024 0.000 1.152 132 T CB -0.905 67.971 68.868 0.012 0.000 0.859 132 T HN 0.511 nan 8.240 nan 0.000 0.452 133 S N 0.634 116.352 115.700 0.030 0.000 2.477 133 S HA 0.498 4.969 4.470 0.002 0.000 0.261 133 S C 0.201 174.848 174.600 0.078 0.000 1.197 133 S CA -0.863 57.368 58.200 0.051 0.000 1.015 133 S CB 0.171 63.392 63.200 0.035 0.000 1.077 133 S HN 0.512 nan 8.310 nan 0.000 0.505 137 P HA 0.059 nan 4.420 nan 0.000 0.231 137 P C 0.174 177.558 177.300 0.140 0.000 1.168 137 P CA 0.773 63.958 63.100 0.142 0.000 0.779 137 P CB 1.371 33.131 31.700 0.101 0.000 0.844 138 I N 0.364 121.025 120.570 0.151 0.000 2.509 138 I HA 0.414 4.585 4.170 0.002 0.000 0.293 138 I C -0.027 176.201 176.117 0.186 0.000 1.020 138 I CA -1.117 60.277 61.300 0.157 0.000 1.088 138 I CB 2.371 40.447 38.000 0.127 0.000 1.267 138 I HN -0.186 nan 8.210 nan 0.000 0.430 139 M N 6.216 125.946 119.600 0.216 0.000 2.294 139 M HA 0.537 5.018 4.480 0.002 0.000 0.335 139 M C -1.219 175.259 176.300 0.296 0.000 1.079 139 M CA -0.381 55.054 55.300 0.225 0.000 0.982 139 M CB 1.500 34.197 32.600 0.162 0.000 1.651 139 M HN 0.526 nan 8.290 nan 0.000 0.437 140 R N 4.710 125.365 120.500 0.259 0.000 2.514 140 R HA 0.670 5.011 4.340 0.002 0.000 0.301 140 R C -1.196 175.267 176.300 0.272 0.000 0.962 140 R CA -0.843 55.412 56.100 0.259 0.000 0.882 140 R CB 1.782 32.215 30.300 0.222 0.000 1.143 140 R HN 0.612 nan 8.270 nan 0.000 0.452 141 I N 2.073 122.791 120.570 0.246 0.000 2.418 141 I HA 0.400 4.572 4.170 0.002 0.000 0.287 141 I C -0.248 175.897 176.117 0.047 0.000 1.008 141 I CA -0.675 60.721 61.300 0.160 0.000 1.104 141 I CB 1.574 39.590 38.000 0.028 0.000 1.264 141 I HN 0.690 nan 8.210 nan 0.000 0.438 142 A N 7.802 130.703 122.820 0.134 0.000 2.331 142 A HA 0.829 5.151 4.320 0.002 0.000 0.320 142 A C -0.694 176.882 177.584 -0.014 0.000 1.138 142 A CA -0.555 51.497 52.037 0.025 0.000 0.790 142 A CB 1.129 20.151 19.000 0.037 0.000 1.206 142 A HN 0.666 nan 8.150 nan 0.000 0.470 143 L N 1.877 123.024 121.223 -0.127 0.000 2.307 143 L HA 0.576 4.918 4.340 0.002 0.000 0.282 143 L C 1.358 178.206 176.870 -0.038 0.000 1.051 143 L CA 0.154 54.925 54.840 -0.115 0.000 0.804 143 L CB 1.370 43.303 42.059 -0.211 0.000 1.197 143 L HN 1.205 nan 8.230 nan 0.000 0.431 144 G N 2.129 110.934 108.800 0.008 0.000 2.187 144 G HA2 -0.108 3.853 3.960 0.002 0.000 0.261 144 G HA3 -0.108 3.853 3.960 0.002 0.000 0.261 144 G C 0.297 175.183 174.900 -0.024 0.000 1.000 144 G CA 0.219 45.323 45.100 0.006 0.000 0.718 144 G HN 1.213 nan 8.290 nan 0.000 0.519 145 G N -1.765 107.008 108.800 -0.045 0.000 2.506 145 G HA2 0.646 4.607 3.960 0.002 0.000 0.292 145 G HA3 0.646 4.607 3.960 0.002 0.000 0.292 145 G C -0.773 174.001 174.900 -0.210 0.000 1.425 145 G CA -0.657 44.374 45.100 -0.115 0.000 0.788 145 G HN 0.731 nan 8.290 nan 0.000 0.490 146 L N -0.586 120.409 121.223 -0.380 0.000 2.331 146 L HA 0.574 4.915 4.340 0.002 0.000 0.268 146 L C 0.634 176.985 176.870 -0.865 0.000 1.015 146 L CA -0.937 53.404 54.840 -0.831 0.000 0.807 146 L CB 1.800 43.339 42.059 -0.866 0.000 1.293 146 L HN 0.380 nan 8.230 nan 0.000 0.451 147 L N 1.456 121.865 121.223 -1.356 0.000 2.818 147 L HA 0.337 4.678 4.340 0.002 0.000 0.243 147 L C -0.634 175.997 176.870 -0.398 0.000 1.185 147 L CA 0.002 54.426 54.840 -0.693 0.000 0.988 147 L CB -0.160 41.605 42.059 -0.491 0.000 1.292 147 L HN 0.458 nan 8.230 nan 0.000 0.519 148 F N -3.510 116.181 119.950 -0.433 0.000 2.686 148 F HA 0.684 5.212 4.527 0.002 0.000 0.311 148 F C -2.924 172.719 175.800 -0.262 0.000 1.128 148 F CA -2.689 55.135 58.000 -0.294 0.000 0.946 148 F CB 0.284 39.111 39.000 -0.288 0.000 1.336 148 F HN -0.290 nan 8.300 nan 0.000 0.457 149 P HA 0.112 nan 4.420 nan 0.000 0.265 149 P C 0.327 177.704 177.300 0.129 0.000 1.187 149 P CA 0.513 63.656 63.100 0.072 0.000 0.766 149 P CB 1.060 32.772 31.700 0.019 0.000 0.820 150 A N 2.815 125.649 122.820 0.025 0.000 1.978 150 A HA -0.188 4.133 4.320 0.002 0.000 0.220 150 A C 2.119 179.732 177.584 0.048 0.000 1.170 150 A CA 2.057 54.108 52.037 0.022 0.000 0.636 150 A CB -1.568 17.424 19.000 -0.014 0.000 0.810 150 A HN 0.618 nan 8.150 nan 0.000 0.448 151 S N 0.083 115.797 115.700 0.023 0.000 2.469 151 S HA -0.130 4.341 4.470 0.002 0.000 0.238 151 S C 1.392 175.980 174.600 -0.019 0.000 0.998 151 S CA 1.232 59.434 58.200 0.003 0.000 0.957 151 S CB -0.578 62.614 63.200 -0.013 0.000 0.764 151 S HN 0.611 nan 8.310 nan 0.000 0.514 152 N N 0.842 119.520 118.700 -0.036 0.000 2.412 152 N HA 0.261 5.003 4.740 0.002 0.000 0.184 152 N C 0.230 175.631 175.510 -0.182 0.000 1.101 152 N CA 0.055 52.967 53.050 -0.230 0.000 0.881 152 N CB -0.085 38.037 38.487 -0.608 0.000 0.969 152 N HN 0.465 nan 8.380 nan 0.000 0.459 153 L N 0.855 122.124 121.223 0.076 0.000 2.473 153 L HA 0.088 4.429 4.340 0.002 0.000 0.268 153 L C 1.993 178.991 176.870 0.212 0.000 1.215 153 L CA -0.152 54.795 54.840 0.178 0.000 0.823 153 L CB 0.770 42.929 42.059 0.168 0.000 1.099 153 L HN -0.083 nan 8.230 nan 0.000 0.483 154 R N 0.613 121.342 120.500 0.381 0.000 2.096 154 R HA -0.051 4.291 4.340 0.002 0.000 0.235 154 R C -0.269 176.122 176.300 0.152 0.000 1.127 154 R CA 1.077 57.331 56.100 0.257 0.000 0.968 154 R CB -0.056 30.401 30.300 0.261 0.000 0.861 154 R HN 0.276 nan 8.270 nan 0.000 0.440 155 L N 0.947 122.259 121.223 0.148 0.000 2.427 155 L HA 0.426 4.767 4.340 0.002 0.000 0.264 155 L C -2.724 174.195 176.870 0.081 0.000 0.989 155 L CA -2.549 52.346 54.840 0.091 0.000 0.865 155 L CB 1.862 43.964 42.059 0.073 0.000 1.209 155 L HN -0.229 nan 8.230 nan 0.000 0.430 156 P HA 0.311 nan 4.420 nan 0.000 0.267 156 P C -1.348 175.972 177.300 0.033 0.000 1.200 156 P CA 0.058 63.185 63.100 0.045 0.000 0.772 156 P CB 0.676 32.394 31.700 0.030 0.000 0.855 157 L N 0.121 121.358 121.223 0.023 0.000 2.491 157 L HA 0.609 4.951 4.340 0.002 0.000 0.254 157 L C -1.065 175.807 176.870 0.005 0.000 1.048 157 L CA -1.117 53.732 54.840 0.015 0.000 0.855 157 L CB 0.294 42.363 42.059 0.016 0.000 1.466 157 L HN -0.040 nan 8.230 nan 0.000 0.409 158 V N 2.389 122.305 119.914 0.003 0.000 2.368 158 V HA 0.304 4.426 4.120 0.002 0.000 0.266 158 V C -1.199 174.891 176.094 -0.007 0.000 1.045 158 V CA -0.736 61.562 62.300 -0.003 0.000 0.899 158 V CB 0.801 32.625 31.823 0.001 0.000 1.006 158 V HN 0.859 nan 8.190 nan 0.000 0.470 159 P HA -0.137 nan 4.420 nan 0.000 0.217 159 P C 0.677 177.968 177.300 -0.015 0.000 1.148 159 P CA 0.952 64.034 63.100 -0.030 0.000 0.828 159 P CB 0.286 31.949 31.700 -0.062 0.000 0.783 160 A N 0.794 123.608 122.820 -0.010 0.000 2.553 160 A HA 0.153 4.474 4.320 0.002 0.000 0.258 160 A C 0.009 177.605 177.584 0.019 0.000 1.069 160 A CA 0.184 52.222 52.037 0.002 0.000 0.767 160 A CB -0.989 18.012 19.000 0.002 0.000 0.997 160 A HN 0.243 nan 8.150 nan 0.000 0.512 161 L N 3.197 124.437 121.223 0.029 0.000 2.342 161 L HA 0.380 4.721 4.340 0.002 0.000 0.276 161 L C -0.436 176.471 176.870 0.062 0.000 0.997 161 L CA -0.351 54.516 54.840 0.045 0.000 0.838 161 L CB 1.603 43.691 42.059 0.048 0.000 1.224 161 L HN 0.648 nan 8.230 nan 0.000 0.416 162 D N 4.092 124.535 120.400 0.071 0.000 2.470 162 D HA 0.495 5.137 4.640 0.002 0.000 0.226 162 D C -0.056 176.305 176.300 0.102 0.000 1.196 162 D CA 0.470 54.529 54.000 0.097 0.000 0.979 162 D CB 0.342 41.201 40.800 0.097 0.000 1.059 162 D HN 0.732 nan 8.370 nan 0.000 0.515 163 G N 0.970 109.829 108.800 0.099 0.000 2.645 163 G HA2 0.469 4.431 3.960 0.002 0.000 0.292 163 G HA3 0.469 4.431 3.960 0.002 0.000 0.292 163 G C -1.247 173.674 174.900 0.035 0.000 1.415 163 G CA -0.412 44.713 45.100 0.041 0.000 0.785 163 G HN 0.433 nan 8.290 nan 0.000 0.483 164 c N -0.632 117.944 118.600 -0.041 0.000 2.493 164 c HA 0.836 5.407 4.570 0.002 0.000 0.326 164 c C -0.358 173.865 174.090 0.223 0.000 1.200 164 c CA -0.499 55.844 56.329 0.024 0.000 1.739 164 c CB 0.824 43.311 42.510 -0.039 0.000 2.300 164 c HN 0.754 nan 8.230 nan 0.000 0.500 165 L N 3.883 125.275 121.223 0.281 0.000 2.386 165 L HA 0.872 5.213 4.340 0.002 0.000 0.271 165 L C -0.221 176.821 176.870 0.287 0.000 0.993 165 L CA -0.018 55.020 54.840 0.329 0.000 0.819 165 L CB 1.005 43.179 42.059 0.192 0.000 1.294 165 L HN 0.942 nan 8.230 nan 0.000 0.414 166 R N 2.594 123.231 120.500 0.229 0.000 2.733 166 R HA 0.604 4.946 4.340 0.002 0.000 0.272 166 R C -0.908 175.395 176.300 0.005 0.000 1.029 166 R CA -0.917 55.201 56.100 0.030 0.000 0.888 166 R CB 0.966 31.136 30.300 -0.217 0.000 1.251 166 R HN 0.534 nan 8.270 nan 0.000 0.464 167 R N 0.587 121.058 120.500 -0.048 0.000 3.405 167 R HA -0.154 4.187 4.340 0.002 0.000 0.258 167 R C -1.004 175.277 176.300 -0.032 0.000 1.030 167 R CA 1.494 57.557 56.100 -0.061 0.000 0.691 167 R CB -1.688 28.538 30.300 -0.123 0.000 1.093 167 R HN 0.831 nan 8.270 nan 0.000 0.448 168 D N -0.121 120.287 120.400 0.014 0.000 2.255 168 D HA 0.310 4.951 4.640 0.002 0.000 0.249 168 D C -0.327 175.816 176.300 -0.260 0.000 1.078 168 D CA -0.436 53.504 54.000 -0.101 0.000 0.896 168 D CB 1.938 42.834 40.800 0.159 0.000 1.194 168 D HN 0.023 nan 8.370 nan 0.000 0.429 169 S N 1.544 116.885 115.700 -0.598 0.000 2.672 169 S HA 0.500 4.971 4.470 0.002 0.000 0.291 169 S C -2.010 172.164 174.600 -0.710 0.000 1.145 169 S CA -0.889 57.058 58.200 -0.423 0.000 1.013 169 S CB 0.280 63.333 63.200 -0.245 0.000 1.017 169 S HN 0.457 nan 8.310 nan 0.000 0.487 170 W N 6.254 127.570 121.300 0.026 0.000 2.411 170 W HA 0.626 5.287 4.660 0.002 0.000 0.317 170 W C 0.506 176.957 176.519 -0.113 0.000 1.030 170 W CA -0.718 56.606 57.345 -0.034 0.000 1.239 170 W CB 0.296 29.798 29.460 0.071 0.000 1.304 170 W HN 0.787 nan 8.180 nan 0.000 0.437 171 L N 0.838 121.998 121.223 -0.105 0.000 6.032 171 L HA -0.381 3.960 4.340 0.002 0.000 0.053 171 L C 0.144 176.963 176.870 -0.086 0.000 2.286 171 L CA 1.273 55.972 54.840 -0.234 0.000 1.682 171 L CB -0.904 40.750 42.059 -0.675 0.000 2.737 171 L HN 0.461 nan 8.230 nan 0.000 0.986 172 D N -1.116 119.255 120.400 -0.048 0.000 2.441 172 D HA 0.303 4.944 4.640 0.002 0.000 0.231 172 D C 0.417 176.869 176.300 0.252 0.000 1.073 172 D CA -0.495 53.554 54.000 0.083 0.000 0.850 172 D CB 1.570 42.400 40.800 0.050 0.000 1.062 172 D HN 0.303 nan 8.370 nan 0.000 0.524 173 K N 1.861 122.391 120.400 0.216 0.000 2.113 173 K HA -0.193 4.128 4.320 0.002 0.000 0.208 173 K C 1.448 178.136 176.600 0.147 0.000 1.047 173 K CA 1.700 58.112 56.287 0.210 0.000 0.928 173 K CB 0.055 32.631 32.500 0.127 0.000 0.716 173 K HN 0.541 nan 8.250 nan 0.000 0.446 174 Q N -1.367 118.501 119.800 0.113 0.000 2.439 174 Q HA -0.029 4.312 4.340 0.002 0.000 0.211 174 Q C 1.080 177.140 176.000 0.099 0.000 0.978 174 Q CA 1.025 56.876 55.803 0.081 0.000 0.897 174 Q CB 0.084 28.857 28.738 0.058 0.000 0.956 174 Q HN 0.412 nan 8.270 nan 0.000 0.483 175 A N 0.245 123.167 122.820 0.171 0.000 2.390 175 A HA 0.059 4.381 4.320 0.002 0.000 0.232 175 A C 0.314 178.032 177.584 0.223 0.000 1.233 175 A CA -0.307 51.852 52.037 0.202 0.000 0.907 175 A CB 0.314 19.454 19.000 0.234 0.000 0.967 175 A HN 0.192 nan 8.150 nan 0.000 0.512 176 E N 0.459 120.729 120.200 0.116 0.000 2.351 176 E HA 0.242 4.593 4.350 0.002 0.000 0.266 176 E C 0.446 176.934 176.600 -0.187 0.000 1.031 176 E CA -0.153 56.072 56.400 -0.292 0.000 0.911 176 E CB 0.323 29.824 29.700 -0.331 0.000 0.986 176 E HN 0.493 nan 8.360 nan 0.000 0.446 177 I N 2.615 123.056 120.570 -0.216 0.000 2.494 177 I HA -0.055 4.117 4.170 0.002 0.000 0.250 177 I C 0.700 176.744 176.117 -0.122 0.000 1.112 177 I CA 0.377 61.611 61.300 -0.109 0.000 1.438 177 I CB 0.004 37.969 38.000 -0.059 0.000 1.111 177 I HN 0.478 nan 8.210 nan 0.000 0.431 178 S N -0.293 115.297 115.700 -0.184 0.000 2.615 178 S HA 0.784 5.255 4.470 0.002 0.000 0.268 178 S C -1.110 173.383 174.600 -0.178 0.000 1.146 178 S CA -0.651 57.464 58.200 -0.142 0.000 0.818 178 S CB 1.996 65.144 63.200 -0.086 0.000 1.111 178 S HN 0.168 nan 8.310 nan 0.000 0.465 179 A N 0.678 123.425 122.820 -0.123 0.000 2.455 179 A HA 0.903 5.224 4.320 0.002 0.000 0.300 179 A C -0.507 177.032 177.584 -0.074 0.000 1.040 179 A CA -0.610 51.358 52.037 -0.114 0.000 0.697 179 A CB 1.703 20.639 19.000 -0.105 0.000 1.265 179 A HN 1.064 nan 8.150 nan 0.000 0.407 180 S N -0.284 115.375 115.700 -0.067 0.000 2.671 180 S HA 0.930 5.401 4.470 0.002 0.000 0.299 180 S C -0.502 174.070 174.600 -0.046 0.000 1.116 180 S CA -0.076 58.095 58.200 -0.049 0.000 0.912 180 S CB 1.987 65.161 63.200 -0.043 0.000 1.130 180 S HN 1.970 nan 8.310 nan 0.000 0.501 181 A N 1.537 124.335 122.820 -0.035 0.000 2.442 181 A HA 0.674 4.995 4.320 0.002 0.000 0.284 181 A C -2.580 174.988 177.584 -0.027 0.000 1.058 181 A CA -1.286 50.733 52.037 -0.031 0.000 0.738 181 A CB 0.708 19.695 19.000 -0.021 0.000 1.242 181 A HN 0.523 nan 8.150 nan 0.000 0.421 182 P HA -0.116 nan 4.420 nan 0.000 0.217 182 P C 1.074 178.361 177.300 -0.021 0.000 1.148 182 P CA 2.389 65.472 63.100 -0.028 0.000 0.828 182 P CB 0.292 31.971 31.700 -0.034 0.000 0.783 183 T N -5.290 109.254 114.554 -0.017 0.000 2.442 183 T HA 0.481 4.833 4.350 0.002 0.000 0.196 183 T C -0.396 174.301 174.700 -0.006 0.000 0.744 183 T CA -0.345 61.748 62.100 -0.011 0.000 1.320 183 T CB 0.642 69.503 68.868 -0.011 0.000 1.899 183 T HN -0.042 nan 8.240 nan 0.000 0.464 184 S N 0.484 116.185 115.700 0.001 0.000 2.557 184 S HA 0.647 5.118 4.470 0.002 0.000 0.291 184 S C -0.430 174.184 174.600 0.023 0.000 1.116 184 S CA -1.020 57.186 58.200 0.010 0.000 0.992 184 S CB 0.599 63.805 63.200 0.010 0.000 1.028 184 S HN 0.730 nan 8.310 nan 0.000 0.484 185 L N 3.153 124.394 121.223 0.030 0.000 2.578 185 L HA 0.183 4.524 4.340 0.002 0.000 0.279 185 L C 0.906 177.821 176.870 0.076 0.000 1.227 185 L CA 0.280 55.151 54.840 0.052 0.000 0.900 185 L CB -0.084 42.004 42.059 0.049 0.000 1.144 185 L HN 0.594 nan 8.230 nan 0.000 0.496 186 R N 2.033 122.606 120.500 0.121 0.000 2.407 186 R HA 0.333 4.674 4.340 0.002 0.000 0.303 186 R C -0.240 176.216 176.300 0.260 0.000 0.981 186 R CA -0.520 55.690 56.100 0.183 0.000 0.905 186 R CB 1.951 32.357 30.300 0.177 0.000 1.099 186 R HN 0.607 nan 8.270 nan 0.000 0.459 187 S N 0.851 116.673 115.700 0.204 0.000 2.584 187 S HA 0.072 4.543 4.470 0.002 0.000 0.273 187 S C 0.428 175.080 174.600 0.086 0.000 1.311 187 S CA -0.650 57.623 58.200 0.123 0.000 1.034 187 S CB 0.568 63.822 63.200 0.089 0.000 0.939 187 S HN 0.724 nan 8.310 nan 0.000 0.513 188 c N 3.984 122.526 118.600 -0.097 0.000 2.439 188 c HA 0.573 5.145 4.570 0.002 0.000 0.411 188 c C 0.841 174.948 174.090 0.028 0.000 1.337 188 c CA 0.075 56.290 56.329 -0.191 0.000 1.716 188 c CB -2.490 39.883 42.510 -0.229 0.000 2.332 188 c HN 0.922 nan 8.230 nan 0.000 0.594 189 D N 0.000 120.448 120.400 0.080 0.000 6.856 189 D HA 0.000 4.641 4.640 0.002 0.000 0.175 189 D CA 0.000 54.049 54.000 0.082 0.000 0.868 189 D CB 0.000 40.840 40.800 0.066 0.000 0.688 189 D HN 0.000 nan 8.370 nan 0.000 0.683