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 3mmz_1_D DATA FIRST_RESID 2 DATA SEQUENCE SLGALPTAED IDAVVLDFDG TQTDDRVLID SDGREFVSVH RGDGLGIAAL DATA SEQUENCE RKSGLTXLIL STEQNPVVAA RARKLKIPVL HGIDRKDLAL KQWCEEQGIA DATA SEQUENCE PERVLYVGND VNDLPCFALV GWPVAVASAH DVVRGAARAV TTVPGGDGAI DATA SEQUENCE REIASWILGP SLDSLDKEGH HHHH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.593 174.600 -0.012 0.000 1.055 2 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 2 S CB 0.000 63.206 63.200 0.010 0.000 0.593 3 L N 5.635 126.843 121.223 -0.026 0.000 2.559 3 L HA 0.548 4.887 4.340 -0.002 0.000 0.274 3 L C 1.477 178.324 176.870 -0.038 0.000 1.205 3 L CA 2.505 57.321 54.840 -0.040 0.000 0.907 3 L CB 0.101 42.138 42.059 -0.037 0.000 1.153 3 L HN 1.284 nan 8.230 nan 0.000 0.490 4 G N 2.916 111.687 108.800 -0.049 0.000 2.199 4 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.254 4 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.254 4 G C 0.557 175.434 174.900 -0.038 0.000 0.982 4 G CA 0.302 45.373 45.100 -0.048 0.000 0.632 4 G HN 1.352 nan 8.290 nan 0.000 0.529 5 A N 0.548 123.368 122.820 0.001 0.000 2.565 5 A HA 0.514 4.833 4.320 -0.002 0.000 0.237 5 A C 0.959 178.584 177.584 0.069 0.000 1.053 5 A CA 0.433 52.485 52.037 0.025 0.000 0.755 5 A CB 0.131 19.179 19.000 0.079 0.000 0.980 5 A HN 0.981 nan 8.150 nan 0.000 0.506 6 L N 3.837 124.988 121.223 -0.120 0.000 2.452 6 L HA 0.278 4.617 4.340 -0.002 0.000 0.267 6 L C -1.581 175.156 176.870 -0.222 0.000 1.188 6 L CA -1.639 53.026 54.840 -0.291 0.000 0.821 6 L CB 0.326 41.967 42.059 -0.697 0.000 1.102 6 L HN 0.559 nan 8.230 nan 0.000 0.470 7 P HA 0.097 nan 4.420 nan 0.000 0.271 7 P C -0.642 176.414 177.300 -0.407 0.000 1.218 7 P CA -0.204 62.350 63.100 -0.909 0.000 0.780 7 P CB 0.922 32.080 31.700 -0.904 0.000 0.901 8 T N -2.558 111.762 114.554 -0.390 0.000 2.910 8 T HA 0.573 4.922 4.350 -0.002 0.000 0.287 8 T C 1.309 175.900 174.700 -0.183 0.000 1.050 8 T CA -0.244 61.742 62.100 -0.190 0.000 1.011 8 T CB 1.161 69.958 68.868 -0.119 0.000 1.195 8 T HN 0.257 nan 8.240 nan 0.000 0.540 9 A N 0.271 123.030 122.820 -0.102 0.000 1.986 9 A HA -0.080 4.239 4.320 -0.002 0.000 0.220 9 A C 1.961 179.501 177.584 -0.074 0.000 1.171 9 A CA 1.945 53.936 52.037 -0.078 0.000 0.640 9 A CB -1.110 17.863 19.000 -0.046 0.000 0.811 9 A HN 0.886 nan 8.150 nan 0.000 0.451 10 E N 0.156 120.314 120.200 -0.070 0.000 2.285 10 E HA -0.063 4.286 4.350 -0.002 0.000 0.194 10 E C 1.203 177.781 176.600 -0.036 0.000 0.997 10 E CA 0.932 57.308 56.400 -0.040 0.000 0.845 10 E CB -0.088 29.599 29.700 -0.023 0.000 0.782 10 E HN 0.567 nan 8.360 nan 0.000 0.491 11 D N -0.071 120.269 120.400 -0.100 0.000 2.249 11 D HA 0.041 4.680 4.640 -0.002 0.000 0.205 11 D C 0.853 177.112 176.300 -0.069 0.000 0.962 11 D CA 0.536 54.484 54.000 -0.087 0.000 0.860 11 D CB 0.343 40.921 40.800 -0.370 0.000 0.955 11 D HN 0.306 nan 8.370 nan 0.000 0.505 12 I N -2.633 117.867 120.570 -0.117 0.000 2.828 12 I HA 0.388 4.557 4.170 -0.002 0.000 0.302 12 I C -0.350 175.768 176.117 0.001 0.000 1.101 12 I CA -0.750 60.519 61.300 -0.052 0.000 1.031 12 I CB 2.594 40.520 38.000 -0.124 0.000 1.231 12 I HN -0.433 nan 8.210 nan 0.000 0.427 13 D N 3.083 123.512 120.400 0.048 0.000 2.479 13 D HA 0.380 5.019 4.640 -0.002 0.000 0.216 13 D C 0.304 176.657 176.300 0.088 0.000 1.110 13 D CA 0.367 54.399 54.000 0.053 0.000 0.841 13 D CB 1.548 42.377 40.800 0.049 0.000 1.040 13 D HN 0.694 nan 8.370 nan 0.000 0.505 14 A N 0.389 123.285 122.820 0.127 0.000 2.515 14 A HA 0.628 4.947 4.320 -0.002 0.000 0.298 14 A C -1.218 176.463 177.584 0.161 0.000 1.059 14 A CA -0.533 51.623 52.037 0.198 0.000 0.698 14 A CB 2.043 21.247 19.000 0.341 0.000 1.289 14 A HN -0.108 nan 8.150 nan 0.000 0.404 15 V N 2.064 122.061 119.914 0.138 0.000 2.409 15 V HA 0.471 4.589 4.120 -0.002 0.000 0.290 15 V C -0.658 175.464 176.094 0.046 0.000 1.017 15 V CA -0.471 61.877 62.300 0.080 0.000 0.841 15 V CB 1.420 33.261 31.823 0.030 0.000 1.003 15 V HN 0.695 nan 8.190 nan 0.000 0.426 16 V N 6.721 126.665 119.914 0.051 0.000 2.417 16 V HA 0.546 4.665 4.120 -0.002 0.000 0.291 16 V C -0.291 175.733 176.094 -0.118 0.000 1.024 16 V CA -0.520 61.777 62.300 -0.006 0.000 0.861 16 V CB 1.761 33.655 31.823 0.118 0.000 0.985 16 V HN 0.644 nan 8.190 nan 0.000 0.436 17 L N 3.460 124.599 121.223 -0.141 0.000 2.333 17 L HA 0.534 4.873 4.340 -0.002 0.000 0.280 17 L C -0.090 176.690 176.870 -0.150 0.000 1.004 17 L CA -0.613 54.106 54.840 -0.200 0.000 0.820 17 L CB 1.830 43.833 42.059 -0.093 0.000 1.247 17 L HN 0.604 nan 8.230 nan 0.000 0.416 18 D N 0.793 121.041 120.400 -0.253 0.000 2.362 18 D HA 0.013 4.652 4.640 -0.002 0.000 0.238 18 D C 0.088 176.422 176.300 0.056 0.000 1.212 18 D CA 0.318 54.294 54.000 -0.040 0.000 0.902 18 D CB 1.014 41.786 40.800 -0.047 0.000 1.180 18 D HN 0.314 nan 8.370 nan 0.000 0.445 19 F N 0.535 120.458 119.950 -0.045 0.000 2.478 19 F HA 0.234 4.760 4.527 -0.002 0.000 0.260 19 F C 0.370 176.152 175.800 -0.029 0.000 0.974 19 F CA 0.089 58.063 58.000 -0.044 0.000 1.075 19 F CB -0.161 38.812 39.000 -0.045 0.000 1.165 19 F HN 0.255 nan 8.300 nan 0.000 0.692 20 D N 0.985 121.356 120.400 -0.048 0.000 2.450 20 D HA 0.275 4.914 4.640 -0.002 0.000 0.247 20 D C 1.017 177.243 176.300 -0.123 0.000 1.162 20 D CA 1.572 55.474 54.000 -0.164 0.000 0.879 20 D CB 0.675 41.491 40.800 0.027 0.000 1.163 20 D HN 0.796 nan 8.370 nan 0.000 0.472 21 G N 2.436 111.138 108.800 -0.163 0.000 2.217 21 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.246 21 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.246 21 G C 1.068 175.906 174.900 -0.102 0.000 0.990 21 G CA 0.623 45.665 45.100 -0.097 0.000 0.627 21 G HN 0.544 nan 8.290 nan 0.000 0.522 22 T N -0.473 113.994 114.554 -0.146 0.000 3.138 22 T HA 0.169 4.517 4.350 -0.002 0.000 0.245 22 T C 1.954 176.552 174.700 -0.170 0.000 0.982 22 T CA 1.233 63.256 62.100 -0.129 0.000 1.134 22 T CB 0.106 68.910 68.868 -0.106 0.000 1.032 22 T HN 0.319 nan 8.240 nan 0.000 0.442 23 Q N 1.443 121.094 119.800 -0.249 0.000 2.360 23 Q HA 0.179 4.518 4.340 -0.002 0.000 0.202 23 Q C 0.630 176.434 176.000 -0.325 0.000 0.915 23 Q CA 0.349 55.996 55.803 -0.260 0.000 0.943 23 Q CB 0.566 29.163 28.738 -0.235 0.000 1.064 23 Q HN 0.533 nan 8.270 nan 0.000 0.511 24 T N -2.674 111.662 114.554 -0.363 0.000 2.887 24 T HA 0.167 4.516 4.350 -0.002 0.000 0.292 24 T C -0.042 174.558 174.700 -0.168 0.000 1.087 24 T CA -0.762 61.172 62.100 -0.277 0.000 1.009 24 T CB 1.560 70.210 68.868 -0.363 0.000 1.203 24 T HN 0.012 nan 8.240 nan 0.000 0.518 25 D N -0.493 119.842 120.400 -0.107 0.000 2.323 25 D HA 0.114 4.753 4.640 -0.002 0.000 0.239 25 D C 0.405 176.672 176.300 -0.055 0.000 1.129 25 D CA 0.007 53.966 54.000 -0.068 0.000 0.865 25 D CB -0.606 40.170 40.800 -0.041 0.000 0.913 25 D HN 0.652 nan 8.370 nan 0.000 0.517 26 D N -0.720 119.636 120.400 -0.073 0.000 3.079 26 D HA -0.182 4.457 4.640 -0.002 0.000 0.214 26 D C -0.425 175.864 176.300 -0.017 0.000 1.145 26 D CA 0.596 54.570 54.000 -0.044 0.000 0.958 26 D CB -0.777 40.008 40.800 -0.025 0.000 1.117 26 D HN 0.425 nan 8.370 nan 0.000 0.416 27 R N -0.843 119.647 120.500 -0.016 0.000 2.674 27 R HA 0.758 5.097 4.340 -0.002 0.000 0.266 27 R C -0.347 175.968 176.300 0.025 0.000 1.016 27 R CA -0.786 55.318 56.100 0.006 0.000 1.062 27 R CB 1.914 32.217 30.300 0.006 0.000 1.142 27 R HN -0.114 nan 8.270 nan 0.000 0.517 28 V N 2.535 122.477 119.914 0.046 0.000 2.577 28 V HA 0.272 4.391 4.120 -0.002 0.000 0.303 28 V C -0.950 175.201 176.094 0.096 0.000 1.042 28 V CA -0.881 61.466 62.300 0.078 0.000 0.872 28 V CB 1.838 33.705 31.823 0.074 0.000 0.998 28 V HN 0.488 nan 8.190 nan 0.000 0.423 29 L N 6.943 128.254 121.223 0.147 0.000 2.290 29 L HA 0.655 4.994 4.340 -0.002 0.000 0.284 29 L C -0.291 176.743 176.870 0.273 0.000 1.078 29 L CA 0.320 55.256 54.840 0.159 0.000 0.815 29 L CB 0.708 42.833 42.059 0.110 0.000 1.162 29 L HN 0.697 nan 8.230 nan 0.000 0.435 30 I N 1.439 122.119 120.570 0.184 0.000 2.569 30 I HA 0.645 4.814 4.170 -0.002 0.000 0.296 30 I C -1.025 175.192 176.117 0.167 0.000 1.028 30 I CA -0.793 60.624 61.300 0.195 0.000 1.082 30 I CB 1.917 39.982 38.000 0.108 0.000 1.264 30 I HN 0.590 nan 8.210 nan 0.000 0.429 31 D N 3.206 123.733 120.400 0.212 0.000 2.487 31 D HA 0.319 4.958 4.640 -0.002 0.000 0.262 31 D C 0.749 177.103 176.300 0.090 0.000 1.130 31 D CA -0.807 53.278 54.000 0.142 0.000 1.038 31 D CB 1.215 42.130 40.800 0.191 0.000 1.142 31 D HN 0.517 nan 8.370 nan 0.000 0.575 32 S N -0.891 114.847 115.700 0.063 0.000 2.420 32 S HA -0.154 4.315 4.470 -0.002 0.000 0.237 32 S C 0.795 175.421 174.600 0.044 0.000 1.023 32 S CA 1.304 59.531 58.200 0.044 0.000 0.991 32 S CB -0.276 62.944 63.200 0.033 0.000 0.792 32 S HN 0.525 nan 8.310 nan 0.000 0.488 33 D N -0.507 119.926 120.400 0.055 0.000 2.363 33 D HA 0.275 4.914 4.640 -0.002 0.000 0.214 33 D C 1.344 177.667 176.300 0.038 0.000 1.093 33 D CA 0.591 54.616 54.000 0.042 0.000 0.837 33 D CB 0.645 41.469 40.800 0.041 0.000 0.948 33 D HN 0.478 nan 8.370 nan 0.000 0.507 34 G N 1.747 110.576 108.800 0.050 0.000 2.175 34 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.244 34 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.244 34 G C 0.493 175.404 174.900 0.020 0.000 0.982 34 G CA -0.396 44.725 45.100 0.036 0.000 0.641 34 G HN 0.238 nan 8.290 nan 0.000 0.527 35 R N 0.994 121.509 120.500 0.026 0.000 2.570 35 R HA 0.322 4.661 4.340 -0.002 0.000 0.277 35 R C 0.064 176.304 176.300 -0.101 0.000 1.039 35 R CA 0.483 56.534 56.100 -0.082 0.000 1.065 35 R CB 0.339 30.589 30.300 -0.084 0.000 0.964 35 R HN 0.518 nan 8.270 nan 0.000 0.428 36 E N 2.592 122.627 120.200 -0.275 0.000 2.179 36 E HA 0.334 4.683 4.350 -0.002 0.000 0.275 36 E C -1.081 175.268 176.600 -0.419 0.000 0.945 36 E CA -0.448 55.857 56.400 -0.158 0.000 0.792 36 E CB 1.292 30.956 29.700 -0.060 0.000 1.125 36 E HN 0.245 nan 8.360 nan 0.000 0.397 37 F N 0.856 120.826 119.950 0.033 0.000 2.577 37 F HA 0.501 5.027 4.527 -0.002 0.000 0.318 37 F C -0.115 175.713 175.800 0.046 0.000 1.065 37 F CA -1.122 56.900 58.000 0.037 0.000 0.929 37 F CB 1.544 40.559 39.000 0.024 0.000 1.237 37 F HN 0.183 nan 8.300 nan 0.000 0.468 38 V N -1.578 118.475 119.914 0.232 0.000 3.040 38 V HA 0.797 4.916 4.120 -0.002 0.000 0.312 38 V C -0.671 175.493 176.094 0.117 0.000 1.115 38 V CA -0.847 61.543 62.300 0.151 0.000 0.998 38 V CB 1.703 33.612 31.823 0.143 0.000 1.042 38 V HN 0.663 nan 8.190 nan 0.000 0.433 39 S N 2.046 117.777 115.700 0.051 0.000 2.442 39 S HA 0.754 5.223 4.470 -0.002 0.000 0.297 39 S C 0.020 174.621 174.600 0.002 0.000 1.131 39 S CA -0.308 57.912 58.200 0.033 0.000 1.092 39 S CB 1.176 64.388 63.200 0.020 0.000 0.998 39 S HN 1.379 nan 8.310 nan 0.000 0.478 40 V N 0.620 120.551 119.914 0.029 0.000 3.284 40 V HA 0.652 4.771 4.120 -0.002 0.000 0.309 40 V C -0.434 175.703 176.094 0.071 0.000 1.190 40 V CA -0.791 61.526 62.300 0.029 0.000 1.038 40 V CB 1.563 33.427 31.823 0.069 0.000 1.198 40 V HN 0.881 nan 8.190 nan 0.000 0.465 41 H N 0.389 119.440 119.070 -0.032 0.000 2.589 41 H HA 0.515 5.070 4.556 -0.001 0.000 0.351 41 H C 0.445 175.760 175.328 -0.023 0.000 1.074 41 H CA -0.679 55.350 56.048 -0.032 0.000 1.203 41 H CB 2.264 31.997 29.762 -0.049 0.000 1.558 41 H HN 0.649 nan 8.280 nan 0.000 0.522 42 R N 2.355 122.701 120.500 -0.257 0.000 2.115 42 R HA -0.066 4.273 4.340 -0.002 0.000 0.230 42 R C 1.884 178.174 176.300 -0.016 0.000 1.111 42 R CA 1.066 57.094 56.100 -0.120 0.000 0.976 42 R CB -0.453 29.754 30.300 -0.155 0.000 0.870 42 R HN 0.758 nan 8.270 nan 0.000 0.445 43 G N 1.586 110.430 108.800 0.073 0.000 2.421 43 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.216 43 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.216 43 G C 0.953 175.947 174.900 0.156 0.000 1.171 43 G CA 0.812 46.041 45.100 0.216 0.000 0.775 43 G HN 0.217 nan 8.290 nan 0.000 0.543 44 D N 0.740 121.266 120.400 0.211 0.000 2.133 44 D HA -0.098 4.541 4.640 -0.002 0.000 0.195 44 D C 2.651 178.971 176.300 0.033 0.000 0.997 44 D CA 1.383 55.414 54.000 0.052 0.000 0.840 44 D CB -0.835 39.986 40.800 0.035 0.000 0.947 44 D HN 0.316 nan 8.370 nan 0.000 0.452 45 G N 0.741 109.570 108.800 0.048 0.000 2.440 45 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.218 45 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.218 45 G C 1.642 176.551 174.900 0.015 0.000 1.154 45 G CA 0.646 45.761 45.100 0.026 0.000 0.767 45 G HN 0.264 nan 8.290 nan 0.000 0.552 46 L N 1.261 122.494 121.223 0.016 0.000 2.109 46 L HA 0.234 4.573 4.340 -0.002 0.000 0.207 46 L C 2.815 179.686 176.870 0.001 0.000 1.086 46 L CA 2.091 56.937 54.840 0.010 0.000 0.760 46 L CB -0.797 41.270 42.059 0.013 0.000 0.910 46 L HN 0.161 nan 8.230 nan 0.000 0.437 47 G N -0.154 108.642 108.800 -0.006 0.000 2.421 47 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.216 47 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.216 47 G C 1.617 176.501 174.900 -0.026 0.000 1.171 47 G CA 1.208 46.291 45.100 -0.029 0.000 0.775 47 G HN 0.446 nan 8.290 nan 0.000 0.543 48 I N 1.456 122.014 120.570 -0.019 0.000 2.163 48 I HA -0.195 3.974 4.170 -0.002 0.000 0.243 48 I C 3.291 179.406 176.117 -0.005 0.000 1.085 48 I CA 1.074 62.367 61.300 -0.013 0.000 1.347 48 I CB -0.194 37.803 38.000 -0.005 0.000 1.044 48 I HN 0.246 nan 8.210 nan 0.000 0.408 49 A N 0.590 123.410 122.820 -0.001 0.000 1.933 49 A HA -0.151 4.168 4.320 -0.002 0.000 0.218 49 A C 2.526 180.108 177.584 -0.003 0.000 1.175 49 A CA 1.817 53.855 52.037 0.001 0.000 0.628 49 A CB -0.807 18.195 19.000 0.003 0.000 0.814 49 A HN 0.439 nan 8.150 nan 0.000 0.444 50 A N -0.218 122.599 122.820 -0.005 0.000 1.898 50 A HA -0.014 4.305 4.320 -0.002 0.000 0.216 50 A C 2.162 179.742 177.584 -0.007 0.000 1.181 50 A CA 1.449 53.482 52.037 -0.006 0.000 0.620 50 A CB -0.591 18.406 19.000 -0.005 0.000 0.819 50 A HN 0.468 nan 8.150 nan 0.000 0.442 51 L N -1.027 120.191 121.223 -0.009 0.000 2.017 51 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 51 L C 2.791 179.663 176.870 0.004 0.000 1.073 51 L CA 1.844 56.681 54.840 -0.006 0.000 0.745 51 L CB -0.490 41.562 42.059 -0.012 0.000 0.894 51 L HN 0.471 nan 8.230 nan 0.000 0.432 52 R N 0.813 121.317 120.500 0.007 0.000 2.073 52 R HA -0.196 4.143 4.340 -0.002 0.000 0.234 52 R C 2.272 178.576 176.300 0.007 0.000 1.134 52 R CA 1.613 57.721 56.100 0.014 0.000 0.952 52 R CB -0.062 30.247 30.300 0.014 0.000 0.850 52 R HN 0.247 nan 8.270 nan 0.000 0.433 53 K N 0.187 120.584 120.400 -0.005 0.000 2.209 53 K HA -0.088 4.231 4.320 -0.002 0.000 0.204 53 K C 1.927 178.518 176.600 -0.015 0.000 1.048 53 K CA 1.563 57.839 56.287 -0.018 0.000 0.940 53 K CB -0.019 32.460 32.500 -0.035 0.000 0.729 53 K HN 0.286 nan 8.250 nan 0.000 0.451 54 S N -0.618 115.079 115.700 -0.004 0.000 2.607 54 S HA 0.038 4.507 4.470 -0.002 0.000 0.224 54 S C 1.342 175.947 174.600 0.008 0.000 0.969 54 S CA 0.603 58.804 58.200 0.002 0.000 0.927 54 S CB 0.091 63.294 63.200 0.004 0.000 0.772 54 S HN 0.442 nan 8.310 nan 0.000 0.533 55 G N 0.403 109.211 108.800 0.012 0.000 2.157 55 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.239 55 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.239 55 G C -0.111 174.806 174.900 0.028 0.000 0.982 55 G CA 0.042 45.153 45.100 0.019 0.000 0.650 55 G HN 0.529 nan 8.290 nan 0.000 0.527 56 L N 1.841 123.082 121.223 0.031 0.000 2.416 56 L HA 0.396 4.735 4.340 -0.002 0.000 0.272 56 L C 1.423 178.339 176.870 0.077 0.000 1.161 56 L CA -0.156 54.713 54.840 0.047 0.000 0.845 56 L CB 0.744 42.826 42.059 0.038 0.000 1.119 56 L HN 0.187 nan 8.230 nan 0.000 0.464 60 I N 4.858 125.350 120.570 -0.130 0.000 2.336 60 I HA 0.492 4.661 4.170 -0.002 0.000 0.292 60 I C -0.960 175.107 176.117 -0.082 0.000 0.991 60 I CA -0.674 60.577 61.300 -0.082 0.000 1.227 60 I CB 1.645 39.606 38.000 -0.065 0.000 1.366 60 I HN 0.464 nan 8.210 nan 0.000 0.466 61 L N 6.655 127.867 121.223 -0.018 0.000 2.333 61 L HA 0.639 4.978 4.340 -0.002 0.000 0.280 61 L C -0.549 176.377 176.870 0.093 0.000 1.004 61 L CA 0.304 55.160 54.840 0.028 0.000 0.820 61 L CB 1.659 43.765 42.059 0.079 0.000 1.247 61 L HN 0.569 nan 8.230 nan 0.000 0.416 62 S N 1.644 117.403 115.700 0.099 0.000 2.556 62 S HA 0.500 4.969 4.470 -0.002 0.000 0.271 62 S C 0.563 175.228 174.600 0.109 0.000 1.135 62 S CA -0.121 58.153 58.200 0.123 0.000 0.858 62 S CB 1.748 65.021 63.200 0.122 0.000 1.114 62 S HN 0.734 nan 8.310 nan 0.000 0.468 63 T N 1.737 116.344 114.554 0.088 0.000 3.014 63 T HA 0.137 4.486 4.350 -0.002 0.000 0.263 63 T C 0.592 175.317 174.700 0.043 0.000 1.078 63 T CA 0.777 62.907 62.100 0.049 0.000 1.135 63 T CB -0.116 68.775 68.868 0.037 0.000 0.895 63 T HN 0.573 nan 8.240 nan 0.000 0.480 64 E N 0.423 120.675 120.200 0.087 0.000 2.248 64 E HA 0.225 4.574 4.350 -0.002 0.000 0.272 64 E C 0.449 177.123 176.600 0.123 0.000 1.008 64 E CA -0.393 56.055 56.400 0.080 0.000 0.856 64 E CB 0.994 30.745 29.700 0.084 0.000 1.120 64 E HN -0.030 nan 8.360 nan 0.000 0.397 65 Q N 0.937 120.766 119.800 0.049 0.000 2.297 65 Q HA -0.040 4.299 4.340 -0.002 0.000 0.204 65 Q C -0.079 176.013 176.000 0.153 0.000 0.962 65 Q CA 0.309 56.132 55.803 0.032 0.000 0.879 65 Q CB -0.197 28.531 28.738 -0.018 0.000 0.947 65 Q HN 0.334 nan 8.270 nan 0.000 0.462 66 N N 1.418 120.179 118.700 0.102 0.000 2.236 66 N HA -0.095 4.644 4.740 -0.002 0.000 0.274 66 N C -2.094 173.417 175.510 0.002 0.000 1.339 66 N CA -0.543 52.533 53.050 0.043 0.000 0.845 66 N CB 0.710 39.215 38.487 0.029 0.000 1.091 66 N HN -0.036 nan 8.380 nan 0.000 0.489 67 P HA -0.034 nan 4.420 nan 0.000 0.237 67 P C 1.128 178.309 177.300 -0.198 0.000 1.178 67 P CA 0.231 63.281 63.100 -0.085 0.000 0.766 67 P CB 0.319 31.993 31.700 -0.044 0.000 0.876 68 V N -0.167 119.637 119.914 -0.183 0.000 2.392 68 V HA -0.212 3.907 4.120 -0.002 0.000 0.249 68 V C 2.373 178.227 176.094 -0.401 0.000 1.059 68 V CA 1.777 63.963 62.300 -0.190 0.000 1.051 68 V CB -1.184 30.602 31.823 -0.061 0.000 0.658 68 V HN 0.068 nan 8.190 nan 0.000 0.455 69 V N 0.383 119.887 119.914 -0.684 0.000 2.332 69 V HA -0.263 3.856 4.120 -0.002 0.000 0.248 69 V C 2.580 178.255 176.094 -0.698 0.000 1.055 69 V CA 2.390 64.008 62.300 -1.135 0.000 1.038 69 V CB -0.512 30.645 31.823 -1.108 0.000 0.651 69 V HN 0.522 nan 8.190 nan 0.000 0.450 70 A N -0.409 122.069 122.820 -0.569 0.000 1.930 70 A HA 0.013 4.332 4.320 -0.002 0.000 0.217 70 A C 2.410 179.862 177.584 -0.220 0.000 1.175 70 A CA 1.958 53.783 52.037 -0.353 0.000 0.627 70 A CB -0.905 17.938 19.000 -0.262 0.000 0.815 70 A HN 0.829 nan 8.150 nan 0.000 0.443 71 A N -0.114 122.584 122.820 -0.205 0.000 1.902 71 A HA -0.145 4.173 4.320 -0.002 0.000 0.217 71 A C 2.183 179.709 177.584 -0.097 0.000 1.181 71 A CA 2.083 54.048 52.037 -0.120 0.000 0.623 71 A CB -0.417 18.526 19.000 -0.096 0.000 0.818 71 A HN 0.446 nan 8.150 nan 0.000 0.443 72 R N 0.223 120.644 120.500 -0.132 0.000 2.066 72 R HA 0.008 4.347 4.340 -0.002 0.000 0.232 72 R C 2.161 178.426 176.300 -0.060 0.000 1.131 72 R CA 1.941 58.009 56.100 -0.053 0.000 0.955 72 R CB -0.987 29.320 30.300 0.011 0.000 0.851 72 R HN 0.377 nan 8.270 nan 0.000 0.432 73 A N 0.360 123.104 122.820 -0.127 0.000 1.933 73 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 73 A C 2.276 179.827 177.584 -0.055 0.000 1.175 73 A CA 1.661 53.643 52.037 -0.092 0.000 0.628 73 A CB -0.567 18.354 19.000 -0.133 0.000 0.814 73 A HN 0.395 nan 8.150 nan 0.000 0.444 74 R N 0.053 120.516 120.500 -0.061 0.000 2.070 74 R HA -0.212 4.127 4.340 -0.002 0.000 0.233 74 R C 2.298 178.586 176.300 -0.021 0.000 1.137 74 R CA 2.093 58.171 56.100 -0.036 0.000 0.945 74 R CB -0.209 30.067 30.300 -0.040 0.000 0.845 74 R HN 0.510 nan 8.270 nan 0.000 0.430 75 K N 0.613 121.002 120.400 -0.019 0.000 2.097 75 K HA -0.113 4.206 4.320 -0.002 0.000 0.206 75 K C 1.637 178.237 176.600 -0.001 0.000 1.049 75 K CA 1.667 57.951 56.287 -0.006 0.000 0.933 75 K CB -0.377 32.123 32.500 0.001 0.000 0.717 75 K HN 0.285 nan 8.250 nan 0.000 0.442 76 L N 0.528 121.750 121.223 -0.001 0.000 2.552 76 L HA 0.131 4.470 4.340 -0.002 0.000 0.227 76 L C 0.187 177.059 176.870 0.003 0.000 1.146 76 L CA 0.346 55.188 54.840 0.004 0.000 0.858 76 L CB -0.445 41.619 42.059 0.008 0.000 0.969 76 L HN 0.258 nan 8.230 nan 0.000 0.451 77 K N 1.051 121.450 120.400 -0.001 0.000 3.071 77 K HA -0.186 4.133 4.320 -0.002 0.000 0.265 77 K C -0.311 176.295 176.600 0.010 0.000 1.060 77 K CA 0.667 56.957 56.287 0.004 0.000 0.767 77 K CB -1.886 30.618 32.500 0.006 0.000 1.241 77 K HN 0.525 nan 8.250 nan 0.000 0.486 78 I N -3.739 116.833 120.570 0.005 0.000 2.689 78 I HA 0.632 4.801 4.170 -0.002 0.000 0.299 78 I C -2.606 173.513 176.117 0.003 0.000 1.059 78 I CA -3.076 58.231 61.300 0.013 0.000 1.055 78 I CB 2.096 40.101 38.000 0.009 0.000 1.243 78 I HN -0.289 nan 8.210 nan 0.000 0.425 79 P HA 0.219 nan 4.420 nan 0.000 0.272 79 P C -0.822 176.459 177.300 -0.031 0.000 1.223 79 P CA -0.318 62.794 63.100 0.021 0.000 0.784 79 P CB 1.263 33.015 31.700 0.087 0.000 0.923 80 V N 3.255 123.152 119.914 -0.029 0.000 2.628 80 V HA 0.549 4.668 4.120 -0.002 0.000 0.306 80 V C -1.128 174.965 176.094 -0.002 0.000 1.045 80 V CA -0.875 61.395 62.300 -0.049 0.000 0.905 80 V CB 1.604 33.371 31.823 -0.093 0.000 0.997 80 V HN 0.305 nan 8.190 nan 0.000 0.436 81 L N 7.302 128.516 121.223 -0.016 0.000 2.454 81 L HA 0.662 5.001 4.340 -0.002 0.000 0.258 81 L C -0.625 176.291 176.870 0.076 0.000 1.025 81 L CA 0.129 54.974 54.840 0.009 0.000 0.901 81 L CB 0.778 42.788 42.059 -0.081 0.000 1.210 81 L HN 0.976 nan 8.230 nan 0.000 0.457 82 H N 1.628 120.668 119.070 -0.051 0.000 2.949 82 H HA 0.787 5.342 4.556 -0.002 0.000 0.356 82 H C 0.521 175.830 175.328 -0.032 0.000 1.212 82 H CA -0.588 55.433 56.048 -0.045 0.000 1.136 82 H CB 1.796 31.514 29.762 -0.073 0.000 1.869 82 H HN 0.526 nan 8.280 nan 0.000 0.556 83 G N 0.885 109.504 108.800 -0.303 0.000 2.176 83 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.252 83 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.252 83 G C -0.372 174.446 174.900 -0.136 0.000 1.024 83 G CA 0.266 45.199 45.100 -0.278 0.000 0.755 83 G HN 0.526 nan 8.290 nan 0.000 0.507 84 I N 0.721 121.250 120.570 -0.068 0.000 2.365 84 I HA 0.206 4.375 4.170 -0.002 0.000 0.291 84 I C 1.437 177.540 176.117 -0.023 0.000 1.004 84 I CA -0.283 60.995 61.300 -0.037 0.000 1.311 84 I CB 1.331 39.324 38.000 -0.012 0.000 1.401 84 I HN 0.154 nan 8.210 nan 0.000 0.491 85 D N 5.989 126.376 120.400 -0.022 0.000 2.137 85 D HA -0.149 4.489 4.640 -0.002 0.000 0.193 85 D C 0.658 176.951 176.300 -0.011 0.000 0.993 85 D CA 1.859 55.850 54.000 -0.015 0.000 0.846 85 D CB 0.374 41.166 40.800 -0.014 0.000 0.990 85 D HN 0.434 nan 8.370 nan 0.000 0.448 86 R N 0.331 120.826 120.500 -0.008 0.000 2.275 86 R HA 0.208 4.547 4.340 -0.002 0.000 0.326 86 R C 0.839 177.135 176.300 -0.008 0.000 0.973 86 R CA -0.366 55.728 56.100 -0.009 0.000 0.854 86 R CB 1.438 31.733 30.300 -0.009 0.000 1.156 86 R HN 0.046 nan 8.270 nan 0.000 0.487 87 K N 1.897 122.290 120.400 -0.012 0.000 2.009 87 K HA -0.213 4.106 4.320 -0.002 0.000 0.210 87 K C 1.466 178.047 176.600 -0.031 0.000 1.049 87 K CA 2.305 58.585 56.287 -0.012 0.000 0.929 87 K CB 0.165 32.659 32.500 -0.009 0.000 0.714 87 K HN 0.613 nan 8.250 nan 0.000 0.440 88 D N 0.678 121.048 120.400 -0.049 0.000 2.144 88 D HA -0.223 4.416 4.640 -0.002 0.000 0.199 88 D C 1.989 178.281 176.300 -0.013 0.000 0.984 88 D CA 1.255 55.222 54.000 -0.056 0.000 0.834 88 D CB -0.522 40.244 40.800 -0.057 0.000 0.955 88 D HN 0.309 nan 8.370 nan 0.000 0.465 89 L N 0.629 121.852 121.223 -0.001 0.000 2.046 89 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 89 L C 2.971 179.866 176.870 0.041 0.000 1.077 89 L CA 1.198 56.049 54.840 0.018 0.000 0.747 89 L CB -0.575 41.491 42.059 0.013 0.000 0.896 89 L HN 0.065 nan 8.230 nan 0.000 0.432 90 A N 0.094 122.936 122.820 0.037 0.000 1.902 90 A HA -0.225 4.094 4.320 -0.002 0.000 0.217 90 A C 2.212 179.862 177.584 0.110 0.000 1.181 90 A CA 1.720 53.795 52.037 0.062 0.000 0.623 90 A CB -0.628 18.392 19.000 0.034 0.000 0.818 90 A HN 0.326 nan 8.150 nan 0.000 0.443 91 L N -0.133 121.136 121.223 0.076 0.000 2.056 91 L HA -0.064 4.275 4.340 -0.002 0.000 0.207 91 L C 2.238 179.222 176.870 0.191 0.000 1.078 91 L CA 2.599 57.511 54.840 0.120 0.000 0.749 91 L CB -0.687 41.383 42.059 0.018 0.000 0.901 91 L HN 0.449 nan 8.230 nan 0.000 0.433 92 K N -0.937 119.530 120.400 0.112 0.000 2.032 92 K HA -0.264 4.055 4.320 -0.002 0.000 0.209 92 K C 2.268 178.936 176.600 0.115 0.000 1.048 92 K CA 1.918 58.265 56.287 0.100 0.000 0.927 92 K CB -0.247 32.287 32.500 0.055 0.000 0.712 92 K HN 0.533 nan 8.250 nan 0.000 0.441 93 Q N -0.608 119.263 119.800 0.117 0.000 2.084 93 Q HA -0.218 4.121 4.340 -0.002 0.000 0.202 93 Q C 1.903 177.990 176.000 0.145 0.000 0.978 93 Q CA 1.891 57.758 55.803 0.106 0.000 0.844 93 Q CB -0.270 28.525 28.738 0.095 0.000 0.898 93 Q HN 0.542 nan 8.270 nan 0.000 0.426 94 W N 0.616 121.930 121.300 0.023 0.000 2.335 94 W HA -0.265 4.394 4.660 -0.002 0.000 0.311 94 W C 2.276 178.814 176.519 0.032 0.000 1.213 94 W CA 1.609 58.972 57.345 0.030 0.000 1.274 94 W CB -0.640 28.844 29.460 0.041 0.000 1.148 94 W HN 0.238 nan 8.180 nan 0.000 0.498 95 C N 0.616 120.047 119.300 0.218 0.000 2.398 95 C HA -0.237 4.222 4.460 -0.002 0.000 0.276 95 C C 2.490 177.419 174.990 -0.102 0.000 1.222 95 C CA 1.715 60.748 59.018 0.024 0.000 1.746 95 C CB -1.368 26.462 27.740 0.151 0.000 2.039 95 C HN 0.429 nan 8.230 nan 0.000 0.470 96 E N 0.439 120.618 120.200 -0.036 0.000 2.058 96 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 96 E C 2.036 178.576 176.600 -0.100 0.000 0.997 96 E CA 1.359 57.731 56.400 -0.047 0.000 0.801 96 E CB -0.265 29.428 29.700 -0.010 0.000 0.746 96 E HN 0.699 nan 8.360 nan 0.000 0.450 97 E N 0.287 120.404 120.200 -0.138 0.000 2.208 97 E HA -0.133 4.216 4.350 -0.002 0.000 0.193 97 E C 1.969 178.420 176.600 -0.250 0.000 0.988 97 E CA 0.527 56.830 56.400 -0.163 0.000 0.828 97 E CB 0.145 29.760 29.700 -0.142 0.000 0.763 97 E HN 0.166 nan 8.360 nan 0.000 0.478 98 Q N -0.586 118.968 119.800 -0.410 0.000 2.451 98 Q HA 0.037 4.376 4.340 -0.002 0.000 0.206 98 Q C 1.082 176.931 176.000 -0.252 0.000 0.947 98 Q CA 0.774 56.314 55.803 -0.439 0.000 0.937 98 Q CB 0.917 29.165 28.738 -0.816 0.000 1.025 98 Q HN 0.394 nan 8.270 nan 0.000 0.511 99 G N 1.748 110.438 108.800 -0.184 0.000 2.198 99 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.257 99 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.257 99 G C 0.003 174.850 174.900 -0.089 0.000 1.042 99 G CA 0.140 45.176 45.100 -0.108 0.000 0.791 99 G HN 0.320 nan 8.290 nan 0.000 0.502 100 I N 0.785 121.291 120.570 -0.108 0.000 2.378 100 I HA 0.584 4.753 4.170 -0.002 0.000 0.291 100 I C 0.856 176.975 176.117 0.002 0.000 0.992 100 I CA -0.774 60.496 61.300 -0.050 0.000 1.154 100 I CB 1.855 39.818 38.000 -0.061 0.000 1.315 100 I HN 0.269 nan 8.210 nan 0.000 0.448 101 A N 8.202 131.038 122.820 0.028 0.000 2.492 101 A HA 0.333 4.652 4.320 -0.002 0.000 0.254 101 A C -1.680 175.952 177.584 0.081 0.000 1.091 101 A CA -1.061 51.004 52.037 0.046 0.000 0.768 101 A CB -0.162 18.865 19.000 0.045 0.000 1.028 101 A HN 0.558 nan 8.150 nan 0.000 0.498 102 P HA -0.217 nan 4.420 nan 0.000 0.218 102 P C 1.223 178.593 177.300 0.116 0.000 1.146 102 P CA 1.516 64.681 63.100 0.107 0.000 0.813 102 P CB 0.149 31.897 31.700 0.079 0.000 0.778 103 E N 0.255 120.512 120.200 0.094 0.000 2.333 103 E HA -0.161 4.188 4.350 -0.002 0.000 0.198 103 E C 1.091 177.812 176.600 0.202 0.000 1.007 103 E CA 0.980 57.440 56.400 0.100 0.000 0.845 103 E CB -0.517 29.220 29.700 0.062 0.000 0.766 103 E HN 0.351 nan 8.360 nan 0.000 0.507 104 R N 0.850 121.468 120.500 0.198 0.000 2.586 104 R HA 0.308 4.647 4.340 -0.002 0.000 0.336 104 R C -0.545 175.884 176.300 0.215 0.000 1.060 104 R CA -0.168 56.066 56.100 0.223 0.000 1.079 104 R CB 1.295 31.678 30.300 0.137 0.000 1.317 104 R HN -0.084 nan 8.270 nan 0.000 0.568 105 V N 1.819 121.885 119.914 0.254 0.000 2.435 105 V HA 0.295 4.414 4.120 -0.002 0.000 0.290 105 V C -0.229 176.042 176.094 0.296 0.000 1.030 105 V CA -0.820 61.633 62.300 0.255 0.000 0.881 105 V CB 2.138 34.119 31.823 0.263 0.000 0.983 105 V HN 0.213 nan 8.190 nan 0.000 0.445 106 L N 5.621 126.989 121.223 0.241 0.000 2.272 106 L HA 0.553 4.892 4.340 -0.002 0.000 0.289 106 L C -1.286 175.726 176.870 0.237 0.000 1.032 106 L CA -0.500 54.484 54.840 0.241 0.000 0.810 106 L CB 0.801 42.936 42.059 0.127 0.000 1.205 106 L HN 0.750 nan 8.230 nan 0.000 0.422 107 Y N 4.863 125.232 120.300 0.115 0.000 2.364 107 Y HA 0.593 5.142 4.550 -0.002 0.000 0.340 107 Y C -1.082 174.895 175.900 0.129 0.000 0.975 107 Y CA -0.756 57.413 58.100 0.115 0.000 1.089 107 Y CB 1.655 40.206 38.460 0.153 0.000 1.192 107 Y HN 0.266 nan 8.280 nan 0.000 0.454 108 V N 6.228 125.854 119.914 -0.480 0.000 2.398 108 V HA 0.882 5.001 4.120 -0.002 0.000 0.286 108 V C 0.239 176.110 176.094 -0.372 0.000 1.026 108 V CA -0.042 62.105 62.300 -0.254 0.000 0.868 108 V CB 0.797 32.514 31.823 -0.177 0.000 0.982 108 V HN 1.002 nan 8.190 nan 0.000 0.443 109 G N 2.678 111.544 108.800 0.110 0.000 2.788 109 G HA2 0.532 4.491 3.960 -0.002 0.000 0.293 109 G HA3 0.532 4.491 3.960 -0.002 0.000 0.293 109 G C -0.121 174.855 174.900 0.127 0.000 1.392 109 G CA 0.035 45.206 45.100 0.118 0.000 0.810 109 G HN 0.616 nan 8.290 nan 0.000 0.508 110 N N -1.220 117.503 118.700 0.037 0.000 2.008 110 N HA 0.108 4.847 4.740 -0.002 0.000 0.228 110 N C -1.044 174.471 175.510 0.008 0.000 1.375 110 N CA 0.037 53.107 53.050 0.033 0.000 0.856 110 N CB 1.614 40.109 38.487 0.015 0.000 1.096 110 N HN 0.414 nan 8.380 nan 0.000 0.489 111 D N 0.244 120.610 120.400 -0.057 0.000 2.592 111 D HA 0.195 4.834 4.640 -0.002 0.000 0.263 111 D C 1.518 177.703 176.300 -0.192 0.000 1.132 111 D CA -0.378 53.574 54.000 -0.080 0.000 0.996 111 D CB 3.122 43.898 40.800 -0.040 0.000 1.442 111 D HN -0.167 nan 8.370 nan 0.000 0.486 112 V N 0.771 120.528 119.914 -0.263 0.000 2.568 112 V HA -0.190 3.929 4.120 -0.002 0.000 0.253 112 V C 1.447 177.422 176.094 -0.199 0.000 1.072 112 V CA 2.094 64.221 62.300 -0.288 0.000 1.084 112 V CB -1.010 30.600 31.823 -0.355 0.000 0.676 112 V HN 0.571 nan 8.190 nan 0.000 0.469 113 N N 0.398 119.012 118.700 -0.143 0.000 2.571 113 N HA -0.132 4.607 4.740 -0.002 0.000 0.189 113 N C 1.090 176.539 175.510 -0.103 0.000 1.154 113 N CA 1.484 54.475 53.050 -0.098 0.000 0.907 113 N CB -0.741 37.714 38.487 -0.053 0.000 0.977 113 N HN 0.586 nan 8.380 nan 0.000 0.449 114 D N 0.063 120.365 120.400 -0.165 0.000 2.354 114 D HA 0.100 4.739 4.640 -0.002 0.000 0.209 114 D C 1.758 177.840 176.300 -0.364 0.000 1.015 114 D CA 0.030 53.914 54.000 -0.194 0.000 0.867 114 D CB 0.327 41.022 40.800 -0.176 0.000 0.933 114 D HN 0.302 nan 8.370 nan 0.000 0.520 115 L N 1.052 122.073 121.223 -0.338 0.000 2.046 115 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 115 L C -0.435 176.393 176.870 -0.069 0.000 1.077 115 L CA 1.356 56.052 54.840 -0.240 0.000 0.747 115 L CB -1.523 40.440 42.059 -0.160 0.000 0.896 115 L HN 0.011 nan 8.230 nan 0.000 0.432 116 P HA -0.086 nan 4.420 nan 0.000 0.218 116 P C 1.714 178.981 177.300 -0.054 0.000 1.149 116 P CA 1.175 64.247 63.100 -0.047 0.000 0.817 116 P CB -0.070 31.596 31.700 -0.056 0.000 0.785 117 C N -2.114 117.107 119.300 -0.132 0.000 2.446 117 C HA -0.074 4.385 4.460 -0.002 0.000 0.277 117 C C 2.406 177.374 174.990 -0.037 0.000 1.275 117 C CA 0.433 59.296 59.018 -0.259 0.000 1.727 117 C CB -2.022 25.225 27.740 -0.822 0.000 2.010 117 C HN 0.131 nan 8.230 nan 0.000 0.486 118 F N 1.969 121.832 119.950 -0.144 0.000 2.091 118 F HA -0.176 4.350 4.527 -0.002 0.000 0.299 118 F C 2.557 178.346 175.800 -0.019 0.000 1.103 118 F CA 1.437 59.434 58.000 -0.006 0.000 1.228 118 F CB -1.374 37.652 39.000 0.045 0.000 0.984 118 F HN 0.206 nan 8.300 nan 0.000 0.477 119 A N -0.568 122.350 122.820 0.162 0.000 1.972 119 A HA -0.132 4.187 4.320 -0.002 0.000 0.219 119 A C 2.213 179.817 177.584 0.033 0.000 1.169 119 A CA 1.084 53.163 52.037 0.071 0.000 0.635 119 A CB -0.838 18.189 19.000 0.045 0.000 0.810 119 A HN 0.298 nan 8.150 nan 0.000 0.446 120 L N -0.154 121.084 121.223 0.025 0.000 2.109 120 L HA 0.019 4.358 4.340 -0.002 0.000 0.207 120 L C 1.216 178.104 176.870 0.031 0.000 1.086 120 L CA 1.653 56.503 54.840 0.017 0.000 0.760 120 L CB -0.797 41.262 42.059 0.000 0.000 0.910 120 L HN 0.383 nan 8.230 nan 0.000 0.437 121 V N -4.049 115.889 119.914 0.039 0.000 2.966 121 V HA 0.724 4.843 4.120 -0.002 0.000 0.317 121 V C 1.430 177.541 176.094 0.028 0.000 1.070 121 V CA -0.198 62.144 62.300 0.070 0.000 1.008 121 V CB 0.783 32.685 31.823 0.132 0.000 1.070 121 V HN 0.166 nan 8.190 nan 0.000 0.457 122 G N 0.508 109.344 108.800 0.060 0.000 2.403 122 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.216 122 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.216 122 G C 0.197 174.933 174.900 -0.273 0.000 1.154 122 G CA 0.213 45.270 45.100 -0.072 0.000 0.784 122 G HN 0.768 nan 8.290 nan 0.000 0.538 123 W N 1.766 123.066 121.300 0.000 0.000 2.148 123 W HA 0.400 5.059 4.660 -0.002 0.000 0.288 123 W C -2.378 174.099 176.519 -0.071 0.000 0.920 123 W CA -2.303 55.029 57.345 -0.022 0.000 1.904 123 W CB 1.287 30.760 29.460 0.021 0.000 2.083 123 W HN -0.054 nan 8.180 nan 0.000 0.398 124 P HA 0.218 nan 4.420 nan 0.000 0.280 124 P C -0.466 176.583 177.300 -0.419 0.000 1.244 124 P CA 0.210 63.023 63.100 -0.478 0.000 0.784 124 P CB 2.153 33.222 31.700 -1.051 0.000 0.913 125 V N 2.724 122.470 119.914 -0.281 0.000 2.588 125 V HA 0.623 4.742 4.120 -0.002 0.000 0.304 125 V C 0.168 176.351 176.094 0.148 0.000 1.042 125 V CA -0.901 61.408 62.300 0.014 0.000 0.877 125 V CB 1.786 33.712 31.823 0.172 0.000 0.996 125 V HN 0.695 nan 8.190 nan 0.000 0.425 126 A N 4.052 127.012 122.820 0.234 0.000 2.305 126 A HA 0.835 5.154 4.320 -0.002 0.000 0.322 126 A C -0.043 177.650 177.584 0.182 0.000 1.187 126 A CA -0.551 51.678 52.037 0.319 0.000 0.825 126 A CB 1.386 20.593 19.000 0.344 0.000 1.164 126 A HN 1.404 nan 8.150 nan 0.000 0.498 127 V N 0.417 120.403 119.914 0.120 0.000 3.096 127 V HA 0.460 4.579 4.120 -0.002 0.000 0.306 127 V C 1.429 177.561 176.094 0.064 0.000 1.088 127 V CA 0.321 62.651 62.300 0.050 0.000 1.129 127 V CB 0.199 32.019 31.823 -0.006 0.000 1.014 127 V HN 1.408 nan 8.190 nan 0.000 0.486 128 A N 2.525 125.368 122.820 0.039 0.000 1.978 128 A HA -0.108 4.211 4.320 -0.002 0.000 0.220 128 A C 2.153 179.756 177.584 0.031 0.000 1.170 128 A CA 2.266 54.328 52.037 0.042 0.000 0.636 128 A CB -1.024 17.991 19.000 0.024 0.000 0.810 128 A HN 1.600 nan 8.150 nan 0.000 0.448 129 S N -0.599 115.110 115.700 0.016 0.000 2.631 129 S HA 0.554 5.023 4.470 -0.002 0.000 0.217 129 S C 0.829 175.444 174.600 0.024 0.000 0.958 129 S CA 0.155 58.360 58.200 0.009 0.000 0.920 129 S CB -0.663 62.531 63.200 -0.009 0.000 0.776 129 S HN 0.820 nan 8.310 nan 0.000 0.517 130 A N 1.837 124.687 122.820 0.051 0.000 2.466 130 A HA 0.300 4.619 4.320 -0.002 0.000 0.238 130 A C 0.290 177.929 177.584 0.091 0.000 1.074 130 A CA -0.275 51.810 52.037 0.080 0.000 0.774 130 A CB -0.430 18.641 19.000 0.118 0.000 1.015 130 A HN 0.675 nan 8.150 nan 0.000 0.498 131 H N 0.433 119.506 119.070 0.005 0.000 3.092 131 H HA -0.045 4.510 4.556 -0.002 0.000 0.332 131 H C 0.673 176.010 175.328 0.015 0.000 1.029 131 H CA 0.930 56.978 56.048 0.001 0.000 1.376 131 H CB 0.528 30.281 29.762 -0.016 0.000 1.329 131 H HN 0.747 nan 8.280 nan 0.000 0.598 132 D N 3.570 123.878 120.400 -0.153 0.000 2.133 132 D HA -0.211 4.428 4.640 -0.002 0.000 0.192 132 D C 2.332 178.709 176.300 0.129 0.000 1.001 132 D CA 2.061 56.051 54.000 -0.016 0.000 0.844 132 D CB -0.380 40.361 40.800 -0.098 0.000 0.944 132 D HN 0.508 nan 8.370 nan 0.000 0.447 133 V N -1.110 118.975 119.914 0.285 0.000 2.626 133 V HA -0.146 3.973 4.120 -0.002 0.000 0.252 133 V C 2.319 178.503 176.094 0.151 0.000 1.067 133 V CA 1.056 63.471 62.300 0.192 0.000 1.081 133 V CB -0.794 31.124 31.823 0.159 0.000 0.686 133 V HN 0.021 nan 8.190 nan 0.000 0.468 134 V N 0.568 120.578 119.914 0.160 0.000 2.379 134 V HA -0.132 3.987 4.120 -0.002 0.000 0.245 134 V C 2.907 179.160 176.094 0.265 0.000 1.044 134 V CA 2.301 64.677 62.300 0.126 0.000 1.036 134 V CB -0.870 30.965 31.823 0.020 0.000 0.664 134 V HN 0.444 nan 8.190 nan 0.000 0.453 135 R N 0.457 121.076 120.500 0.197 0.000 2.091 135 R HA -0.131 4.208 4.340 -0.002 0.000 0.238 135 R C 2.477 178.872 176.300 0.160 0.000 1.136 135 R CA 1.683 57.889 56.100 0.175 0.000 0.959 135 R CB -0.915 29.454 30.300 0.115 0.000 0.856 135 R HN 0.589 nan 8.270 nan 0.000 0.437 136 G N 0.398 109.280 108.800 0.136 0.000 2.421 136 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.216 136 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.216 136 G C 1.519 176.495 174.900 0.127 0.000 1.171 136 G CA 0.748 45.912 45.100 0.107 0.000 0.775 136 G HN 0.427 nan 8.290 nan 0.000 0.543 137 A N 0.767 123.701 122.820 0.191 0.000 2.019 137 A HA 0.503 4.822 4.320 -0.002 0.000 0.219 137 A C 1.845 179.567 177.584 0.230 0.000 1.164 137 A CA 1.343 53.523 52.037 0.239 0.000 0.644 137 A CB -0.634 18.565 19.000 0.333 0.000 0.805 137 A HN 0.938 nan 8.150 nan 0.000 0.449 138 A N -0.807 122.156 122.820 0.238 0.000 2.448 138 A HA 0.355 4.674 4.320 -0.002 0.000 0.239 138 A C 1.303 178.854 177.584 -0.055 0.000 1.080 138 A CA 0.343 52.364 52.037 -0.028 0.000 0.779 138 A CB 0.035 19.083 19.000 0.081 0.000 1.026 138 A HN 0.508 nan 8.150 nan 0.000 0.499 139 R N 0.101 120.525 120.500 -0.127 0.000 2.173 139 R HA 0.316 4.655 4.340 -0.002 0.000 0.208 139 R C 0.404 176.694 176.300 -0.017 0.000 1.035 139 R CA 1.149 57.184 56.100 -0.108 0.000 1.004 139 R CB 0.019 30.185 30.300 -0.224 0.000 0.917 139 R HN 0.879 nan 8.270 nan 0.000 0.462 140 A N -0.041 122.810 122.820 0.051 0.000 2.539 140 A HA 0.609 4.928 4.320 -0.002 0.000 0.296 140 A C -1.528 176.165 177.584 0.181 0.000 1.073 140 A CA -0.636 51.450 52.037 0.082 0.000 0.700 140 A CB 2.285 21.336 19.000 0.086 0.000 1.296 140 A HN -0.005 nan 8.150 nan 0.000 0.405 141 V N 1.567 121.609 119.914 0.213 0.000 2.638 141 V HA 0.587 4.706 4.120 -0.002 0.000 0.306 141 V C 0.572 176.883 176.094 0.362 0.000 1.052 141 V CA -0.132 62.315 62.300 0.245 0.000 0.885 141 V CB 1.850 33.764 31.823 0.151 0.000 0.999 141 V HN 1.214 nan 8.190 nan 0.000 0.424 142 T N 0.113 114.852 114.554 0.308 0.000 2.813 142 T HA 0.183 4.532 4.350 -0.002 0.000 0.297 142 T C 1.274 176.070 174.700 0.160 0.000 1.036 142 T CA 0.411 62.653 62.100 0.237 0.000 1.044 142 T CB 1.297 70.150 68.868 -0.025 0.000 0.993 142 T HN 0.918 nan 8.240 nan 0.000 0.535 143 T N -1.421 113.214 114.554 0.134 0.000 3.035 143 T HA 0.153 4.502 4.350 -0.002 0.000 0.259 143 T C 0.758 175.471 174.700 0.021 0.000 1.078 143 T CA -0.052 62.096 62.100 0.079 0.000 1.132 143 T CB -0.155 68.765 68.868 0.085 0.000 0.900 143 T HN 0.448 nan 8.240 nan 0.000 0.480 144 V N 5.053 124.955 119.914 -0.020 0.000 2.465 144 V HA 0.386 4.505 4.120 -0.002 0.000 0.279 144 V C -2.004 174.046 176.094 -0.072 0.000 1.045 144 V CA -2.178 60.083 62.300 -0.065 0.000 0.938 144 V CB 1.331 33.081 31.823 -0.123 0.000 0.986 144 V HN 0.328 nan 8.190 nan 0.000 0.467 145 P HA 0.179 nan 4.420 nan 0.000 0.274 145 P C 0.166 177.409 177.300 -0.095 0.000 1.256 145 P CA -0.137 62.927 63.100 -0.060 0.000 0.795 145 P CB 0.632 32.306 31.700 -0.043 0.000 1.038 146 G N -0.897 107.854 108.800 -0.081 0.000 2.353 146 G HA2 0.303 4.262 3.960 -0.002 0.000 0.239 146 G HA3 0.303 4.262 3.960 -0.002 0.000 0.239 146 G C 1.054 175.886 174.900 -0.114 0.000 1.295 146 G CA 0.348 45.384 45.100 -0.107 0.000 0.884 146 G HN 0.866 nan 8.290 nan 0.000 0.537 147 G N 1.950 110.667 108.800 -0.137 0.000 2.199 147 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.254 147 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.254 147 G C 0.679 175.526 174.900 -0.089 0.000 0.982 147 G CA 0.667 45.709 45.100 -0.096 0.000 0.632 147 G HN 0.666 nan 8.290 nan 0.000 0.529 148 D N 0.025 120.299 120.400 -0.210 0.000 2.431 148 D HA 0.447 5.086 4.640 -0.002 0.000 0.213 148 D C 1.555 177.406 176.300 -0.749 0.000 1.130 148 D CA 1.270 55.091 54.000 -0.298 0.000 0.834 148 D CB 0.138 40.852 40.800 -0.144 0.000 0.985 148 D HN 1.437 nan 8.370 nan 0.000 0.504 149 G N 0.503 108.810 108.800 -0.823 0.000 2.181 149 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.152 149 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.152 149 G C 1.134 175.823 174.900 -0.351 0.000 1.026 149 G CA 0.191 44.861 45.100 -0.716 0.000 0.699 149 G HN 0.336 nan 8.290 nan 0.000 0.497 150 A N 0.067 122.716 122.820 -0.284 0.000 1.933 150 A HA 0.183 4.502 4.320 -0.002 0.000 0.218 150 A C 2.346 179.765 177.584 -0.275 0.000 1.175 150 A CA 1.938 53.830 52.037 -0.242 0.000 0.628 150 A CB -0.250 18.642 19.000 -0.179 0.000 0.814 150 A HN 0.635 nan 8.150 nan 0.000 0.444 151 I N -0.579 119.858 120.570 -0.222 0.000 2.353 151 I HA -0.113 4.056 4.170 -0.002 0.000 0.248 151 I C 2.401 178.391 176.117 -0.211 0.000 1.119 151 I CA 1.149 62.328 61.300 -0.202 0.000 1.417 151 I CB -1.364 36.559 38.000 -0.128 0.000 1.078 151 I HN 0.396 nan 8.210 nan 0.000 0.421 152 R N 1.175 121.567 120.500 -0.180 0.000 2.091 152 R HA -0.220 4.119 4.340 -0.002 0.000 0.238 152 R C 2.208 178.369 176.300 -0.231 0.000 1.136 152 R CA 1.781 57.790 56.100 -0.151 0.000 0.959 152 R CB -0.109 30.141 30.300 -0.083 0.000 0.856 152 R HN 0.445 nan 8.270 nan 0.000 0.437 153 E N 0.381 120.389 120.200 -0.319 0.000 2.058 153 E HA -0.203 4.146 4.350 -0.002 0.000 0.194 153 E C 2.057 178.140 176.600 -0.862 0.000 0.997 153 E CA 1.552 57.669 56.400 -0.471 0.000 0.801 153 E CB -0.130 29.303 29.700 -0.446 0.000 0.746 153 E HN 0.384 nan 8.360 nan 0.000 0.450 154 I N 1.042 121.067 120.570 -0.909 0.000 2.208 154 I HA -0.285 3.884 4.170 -0.002 0.000 0.245 154 I C 2.610 178.486 176.117 -0.402 0.000 1.097 154 I CA 1.045 61.797 61.300 -0.914 0.000 1.363 154 I CB -0.406 37.273 38.000 -0.534 0.000 1.051 154 I HN 0.190 nan 8.210 nan 0.000 0.413 155 A N 0.782 123.438 122.820 -0.274 0.000 1.940 155 A HA -0.248 4.071 4.320 -0.002 0.000 0.219 155 A C 2.499 180.030 177.584 -0.088 0.000 1.176 155 A CA 2.317 54.274 52.037 -0.134 0.000 0.631 155 A CB -0.803 18.137 19.000 -0.101 0.000 0.814 155 A HN 0.554 nan 8.150 nan 0.000 0.446 156 S N -1.790 113.832 115.700 -0.129 0.000 2.428 156 S HA -0.143 4.326 4.470 -0.002 0.000 0.230 156 S C 1.724 176.391 174.600 0.113 0.000 1.014 156 S CA 0.929 59.114 58.200 -0.026 0.000 0.957 156 S CB -0.598 62.583 63.200 -0.031 0.000 0.784 156 S HN 0.643 nan 8.310 nan 0.000 0.499 157 W N 1.931 123.205 121.300 -0.044 0.000 2.355 157 W HA 0.114 4.774 4.660 0.001 0.000 0.309 157 W C 2.195 178.666 176.519 -0.080 0.000 1.206 157 W CA -0.182 57.128 57.345 -0.058 0.000 1.284 157 W CB -1.019 28.401 29.460 -0.067 0.000 1.145 157 W HN 0.288 nan 8.180 nan 0.000 0.502 158 I N -0.511 120.148 120.570 0.149 0.000 2.333 158 I HA -0.147 4.022 4.170 -0.002 0.000 0.246 158 I C 2.009 178.134 176.117 0.014 0.000 1.106 158 I CA 1.404 62.724 61.300 0.035 0.000 1.411 158 I CB -1.466 36.531 38.000 -0.006 0.000 1.082 158 I HN -0.017 nan 8.210 nan 0.000 0.420 159 L N -0.559 120.675 121.223 0.018 0.000 2.664 159 L HA 0.408 4.747 4.340 -0.002 0.000 0.233 159 L C 0.934 177.811 176.870 0.011 0.000 1.113 159 L CA 0.187 55.031 54.840 0.007 0.000 0.896 159 L CB 0.122 42.183 42.059 0.003 0.000 1.163 159 L HN 0.381 nan 8.230 nan 0.000 0.497 160 G N 0.596 109.413 108.800 0.029 0.000 2.712 160 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.683 160 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.683 160 G C -2.408 172.507 174.900 0.025 0.000 1.320 160 G CA -0.566 44.551 45.100 0.029 0.000 0.847 160 G HN -0.059 nan 8.290 nan 0.000 0.553 161 P HA -0.018 nan 4.420 nan 0.000 0.220 161 P C 1.876 179.183 177.300 0.012 0.000 1.148 161 P CA 2.229 65.341 63.100 0.020 0.000 0.803 161 P CB 0.058 31.770 31.700 0.020 0.000 0.782 162 S N -1.044 114.662 115.700 0.009 0.000 2.575 162 S HA 0.083 4.552 4.470 -0.002 0.000 0.215 162 S C 0.942 175.550 174.600 0.014 0.000 0.966 162 S CA -0.176 58.031 58.200 0.012 0.000 0.911 162 S CB -1.054 62.152 63.200 0.010 0.000 0.780 162 S HN 0.046 nan 8.310 nan 0.000 0.514 163 L N 0.677 121.906 121.223 0.010 0.000 4.001 163 L HA -0.242 4.097 4.340 -0.002 0.000 0.413 163 L C 0.392 177.275 176.870 0.021 0.000 1.185 163 L CA 0.605 55.450 54.840 0.008 0.000 0.963 163 L CB -2.684 39.377 42.059 0.004 0.000 1.976 163 L HN 0.486 nan 8.230 nan 0.000 0.939 164 D N -0.729 119.687 120.400 0.026 0.000 3.012 164 D HA -0.204 4.435 4.640 -0.002 0.000 0.222 164 D C 1.268 177.634 176.300 0.110 0.000 1.167 164 D CA 1.272 55.308 54.000 0.061 0.000 0.854 164 D CB -0.570 40.279 40.800 0.081 0.000 1.107 164 D HN 0.759 nan 8.370 nan 0.000 0.421 165 S N -1.572 114.156 115.700 0.046 0.000 2.470 165 S HA 0.175 4.644 4.470 -0.002 0.000 0.225 165 S C 0.873 175.473 174.600 0.001 0.000 1.006 165 S CA 0.021 58.224 58.200 0.006 0.000 0.934 165 S CB 0.438 63.657 63.200 0.030 0.000 0.778 165 S HN 0.364 nan 8.310 nan 0.000 0.517 166 L N 2.216 123.458 121.223 0.032 0.000 2.388 166 L HA 0.521 4.860 4.340 -0.002 0.000 0.264 166 L C -0.924 175.944 176.870 -0.003 0.000 0.998 166 L CA -1.126 53.735 54.840 0.035 0.000 0.817 166 L CB 1.930 44.009 42.059 0.033 0.000 1.338 166 L HN 0.143 nan 8.230 nan 0.000 0.414 167 D N 0.830 121.227 120.400 -0.006 0.000 2.433 167 D HA 0.159 4.797 4.640 -0.002 0.000 0.255 167 D C 0.710 176.987 176.300 -0.038 0.000 1.226 167 D CA -0.472 53.501 54.000 -0.045 0.000 1.015 167 D CB 0.839 41.620 40.800 -0.032 0.000 1.091 167 D HN 0.390 nan 8.370 nan 0.000 0.527 168 K N -0.368 120.008 120.400 -0.039 0.000 2.032 168 K HA -0.258 4.061 4.320 -0.002 0.000 0.218 168 K C 1.732 178.301 176.600 -0.051 0.000 1.054 168 K CA 1.970 58.236 56.287 -0.036 0.000 0.941 168 K CB -0.226 32.259 32.500 -0.026 0.000 0.720 168 K HN 0.560 nan 8.250 nan 0.000 0.449 169 E N -0.046 120.123 120.200 -0.051 0.000 2.515 169 E HA -0.087 4.262 4.350 -0.002 0.000 0.201 169 E C 0.311 176.726 176.600 -0.307 0.000 1.071 169 E CA 0.408 56.739 56.400 -0.116 0.000 0.880 169 E CB -0.084 29.605 29.700 -0.019 0.000 0.828 169 E HN 0.530 nan 8.360 nan 0.000 0.540 170 G N 1.223 109.894 108.800 -0.215 0.000 2.149 170 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.235 170 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.235 170 G C -0.448 174.308 174.900 -0.240 0.000 1.018 170 G CA 0.449 45.427 45.100 -0.204 0.000 0.728 170 G HN 0.469 nan 8.290 nan 0.000 0.508 171 H N -1.367 117.735 119.070 0.053 0.000 2.502 171 H HA 0.554 5.109 4.556 -0.002 0.000 0.338 171 H C 0.471 175.875 175.328 0.127 0.000 1.155 171 H CA -0.686 55.415 56.048 0.087 0.000 1.237 171 H CB 0.866 30.673 29.762 0.075 0.000 1.534 171 H HN 0.379 nan 8.280 nan 0.000 0.523 172 H N 1.365 120.563 119.070 0.213 0.000 3.070 172 H HA -0.071 4.484 4.556 -0.002 0.000 0.313 172 H C -0.311 175.159 175.328 0.237 0.000 0.997 172 H CA 0.347 56.501 56.048 0.176 0.000 1.438 172 H CB 0.060 29.904 29.762 0.137 0.000 1.455 172 H HN 0.581 nan 8.280 nan 0.000 0.575 173 H N 5.690 124.545 119.070 -0.358 0.000 2.723 173 H HA 0.037 4.592 4.556 -0.002 0.000 0.294 173 H C 0.742 175.926 175.328 -0.239 0.000 1.079 173 H CA -0.434 55.499 56.048 -0.191 0.000 1.411 173 H CB 0.406 30.093 29.762 -0.126 0.000 1.439 173 H HN 0.860 nan 8.280 nan 0.000 0.474 174 H N 4.611 123.624 119.070 -0.095 0.000 2.501 174 H HA -0.094 4.461 4.556 -0.002 0.000 0.317 174 H C 0.320 175.508 175.328 -0.232 0.000 1.057 174 H CA 1.120 57.118 56.048 -0.083 0.000 1.371 174 H CB 0.206 29.997 29.762 0.049 0.000 1.501 174 H HN 0.855 nan 8.280 nan 0.000 0.620 175 H N 0.000 118.887 119.070 -0.305 0.000 2.539 175 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 175 H CA 0.000 55.861 56.048 -0.311 0.000 1.023 175 H CB 0.000 29.634 29.762 -0.214 0.000 1.292 175 H HN 0.000 nan 8.280 nan 0.000 0.496