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 2eig_1_C DATA FIRST_RESID 1 DATA SEQUENCE VSFNYTRFKD DGSLIFQGDA KIWTDGRLAM PTDPLVNRTT SHALYATPVP DATA SEQUENCE IWDSATGNVA SFITSFSFIV SNVQRYPPTD GVVFFLAPWG TEIPPNSQGG DATA SEQUENCE YLGITDSSNS QNQFVAVEFD SHPNVWDPKS LRSSHIGIDV NSIMSLKAVN DATA SEQUENCE WNRVSGSLEK ATIIYDSDTK ILTVVMTHQN GQITTISQEI DLKTVLPEKV DATA SEQUENCE SVGFSATTWN PERERHDIYS WSFTSTLKEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.137 176.094 0.071 0.000 1.182 1 V CA 0.000 62.375 62.300 0.124 0.000 1.235 1 V CB 0.000 31.929 31.823 0.177 0.000 1.184 2 S N 4.369 120.080 115.700 0.018 0.000 2.619 2 S HA 0.947 5.416 4.470 -0.002 0.000 0.280 2 S C -1.288 173.264 174.600 -0.079 0.000 1.150 2 S CA -0.442 57.692 58.200 -0.111 0.000 0.978 2 S CB 1.011 64.165 63.200 -0.077 0.000 1.041 2 S HN 1.196 nan 8.310 nan 0.000 0.485 3 F N 2.032 121.845 119.950 -0.229 0.000 2.645 3 F HA 0.811 5.337 4.527 -0.001 0.000 0.310 3 F C -0.902 174.701 175.800 -0.329 0.000 1.102 3 F CA -1.076 56.718 58.000 -0.343 0.000 0.952 3 F CB 1.334 40.021 39.000 -0.521 0.000 1.326 3 F HN 0.509 nan 8.300 nan 0.000 0.456 4 N N 0.839 119.437 118.700 -0.171 0.000 2.572 4 N HA 0.338 5.077 4.740 -0.002 0.000 0.287 4 N C -2.486 172.887 175.510 -0.227 0.000 1.136 4 N CA -0.496 52.475 53.050 -0.131 0.000 0.900 4 N CB 0.899 39.333 38.487 -0.087 0.000 1.484 4 N HN 0.664 nan 8.380 nan 0.000 0.526 5 Y N 1.915 122.248 120.300 0.054 0.000 2.454 5 Y HA 0.221 4.770 4.550 -0.002 0.000 0.345 5 Y C 1.758 177.568 175.900 -0.151 0.000 0.970 5 Y CA -0.432 57.583 58.100 -0.143 0.000 1.204 5 Y CB 1.487 39.667 38.460 -0.466 0.000 1.122 5 Y HN 0.665 nan 8.280 nan 0.000 0.514 6 T N 0.127 114.693 114.554 0.019 0.000 3.054 6 T HA 0.137 4.486 4.350 -0.002 0.000 0.259 6 T C 0.538 175.268 174.700 0.050 0.000 1.092 6 T CA 0.220 62.351 62.100 0.053 0.000 1.121 6 T CB 0.056 68.955 68.868 0.051 0.000 0.912 6 T HN 0.640 nan 8.240 nan 0.000 0.489 7 R N -0.741 119.757 120.500 -0.004 0.000 2.781 7 R HA 0.661 5.000 4.340 -0.002 0.000 0.269 7 R C -1.820 174.446 176.300 -0.058 0.000 1.025 7 R CA -1.100 55.021 56.100 0.035 0.000 0.914 7 R CB 0.660 31.057 30.300 0.162 0.000 1.236 7 R HN 0.066 nan 8.270 nan 0.000 0.465 8 F N 0.595 120.722 119.950 0.294 0.000 2.436 8 F HA 0.544 5.070 4.527 -0.002 0.000 0.340 8 F C 0.161 176.110 175.800 0.248 0.000 1.113 8 F CA -0.616 57.555 58.000 0.285 0.000 1.022 8 F CB 1.940 41.067 39.000 0.211 0.000 1.128 8 F HN 0.202 nan 8.300 nan 0.000 0.466 9 K N 0.926 121.587 120.400 0.435 0.000 2.318 9 K HA 0.224 4.543 4.320 -0.002 0.000 0.249 9 K C -1.293 175.513 176.600 0.343 0.000 0.942 9 K CA -1.076 55.396 56.287 0.310 0.000 0.808 9 K CB 1.982 34.623 32.500 0.236 0.000 1.189 9 K HN 0.437 nan 8.250 nan 0.000 0.428 10 D N 2.578 123.135 120.400 0.263 0.000 2.508 10 D HA 0.005 4.644 4.640 -0.002 0.000 0.224 10 D C -0.457 175.979 176.300 0.226 0.000 1.171 10 D CA -0.170 54.007 54.000 0.295 0.000 1.006 10 D CB 0.073 40.985 40.800 0.185 0.000 1.073 10 D HN 0.435 nan 8.370 nan 0.000 0.513 11 D N 1.409 121.949 120.400 0.233 0.000 2.559 11 D HA 0.217 4.856 4.640 -0.002 0.000 0.234 11 D C 1.503 177.876 176.300 0.121 0.000 1.226 11 D CA -0.177 53.920 54.000 0.162 0.000 0.830 11 D CB -0.072 40.826 40.800 0.163 0.000 1.028 11 D HN 0.374 nan 8.370 nan 0.000 0.492 12 G N 0.761 109.632 108.800 0.118 0.000 2.212 12 G HA2 -0.408 3.551 3.960 -0.002 0.000 0.266 12 G HA3 -0.408 3.551 3.960 -0.002 0.000 0.266 12 G C 1.284 176.177 174.900 -0.012 0.000 0.978 12 G CA 0.930 46.061 45.100 0.051 0.000 0.632 12 G HN 0.746 nan 8.290 nan 0.000 0.537 13 S N -0.682 115.031 115.700 0.022 0.000 2.461 13 S HA 0.493 4.962 4.470 -0.002 0.000 0.228 13 S C 1.004 175.505 174.600 -0.166 0.000 1.005 13 S CA 0.756 58.923 58.200 -0.054 0.000 0.942 13 S CB 0.136 63.415 63.200 0.131 0.000 0.776 13 S HN 0.621 nan 8.310 nan 0.000 0.514 14 L N 0.836 121.961 121.223 -0.163 0.000 2.333 14 L HA 0.622 4.961 4.340 -0.002 0.000 0.269 14 L C -0.741 175.812 176.870 -0.528 0.000 1.010 14 L CA -1.078 53.534 54.840 -0.380 0.000 0.818 14 L CB 1.891 43.638 42.059 -0.520 0.000 1.306 14 L HN 0.105 nan 8.230 nan 0.000 0.430 15 I N 1.462 121.745 120.570 -0.479 0.000 2.339 15 I HA 0.307 4.476 4.170 -0.002 0.000 0.290 15 I C -0.982 174.869 176.117 -0.443 0.000 0.994 15 I CA -0.172 60.921 61.300 -0.345 0.000 1.191 15 I CB 0.991 38.882 38.000 -0.183 0.000 1.343 15 I HN 0.252 nan 8.210 nan 0.000 0.458 16 F N 4.784 124.734 119.950 0.001 0.000 2.415 16 F HA 0.492 5.018 4.527 -0.002 0.000 0.348 16 F C 0.293 176.089 175.800 -0.006 0.000 1.119 16 F CA -0.548 57.452 58.000 0.001 0.000 1.069 16 F CB 1.110 40.108 39.000 -0.004 0.000 1.124 16 F HN 0.366 nan 8.300 nan 0.000 0.472 17 Q N 1.484 121.382 119.800 0.164 0.000 2.377 17 Q HA 0.648 4.987 4.340 -0.002 0.000 0.271 17 Q C 0.581 176.598 176.000 0.028 0.000 1.077 17 Q CA -0.622 55.215 55.803 0.056 0.000 0.820 17 Q CB 2.463 31.188 28.738 -0.021 0.000 1.347 17 Q HN 0.894 nan 8.270 nan 0.000 0.444 18 G N 2.137 110.924 108.800 -0.022 0.000 2.591 18 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.298 18 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.298 18 G C -0.022 174.872 174.900 -0.010 0.000 1.195 18 G CA 0.361 45.438 45.100 -0.039 0.000 0.989 18 G HN 0.795 nan 8.290 nan 0.000 0.551 19 D N 2.345 122.737 120.400 -0.013 0.000 2.319 19 D HA 0.392 5.031 4.640 -0.002 0.000 0.230 19 D C 1.246 177.536 176.300 -0.017 0.000 1.094 19 D CA 0.776 54.765 54.000 -0.018 0.000 0.856 19 D CB 0.016 40.800 40.800 -0.027 0.000 0.915 19 D HN 0.755 nan 8.370 nan 0.000 0.517 20 A N 1.241 124.074 122.820 0.023 0.000 2.409 20 A HA 0.338 4.657 4.320 -0.002 0.000 0.262 20 A C 0.288 177.805 177.584 -0.112 0.000 1.113 20 A CA 0.249 52.305 52.037 0.033 0.000 0.790 20 A CB 0.588 19.720 19.000 0.220 0.000 1.046 20 A HN -0.012 nan 8.150 nan 0.000 0.496 21 K N 1.920 122.193 120.400 -0.210 0.000 2.532 21 K HA 0.422 4.741 4.320 -0.002 0.000 0.265 21 K C -1.064 175.350 176.600 -0.311 0.000 0.948 21 K CA -0.878 55.192 56.287 -0.362 0.000 0.842 21 K CB 1.719 34.131 32.500 -0.147 0.000 1.392 21 K HN 0.553 nan 8.250 nan 0.000 0.436 22 I N 2.371 122.715 120.570 -0.377 0.000 2.556 22 I HA 0.095 4.264 4.170 -0.002 0.000 0.284 22 I C 0.311 176.479 176.117 0.086 0.000 1.114 22 I CA -0.037 61.213 61.300 -0.083 0.000 1.418 22 I CB -0.070 37.916 38.000 -0.022 0.000 1.394 22 I HN 0.630 nan 8.210 nan 0.000 0.552 23 W N 6.764 128.039 121.300 -0.041 0.000 3.307 23 W HA 0.328 4.987 4.660 -0.002 0.000 0.325 23 W C -0.516 176.025 176.519 0.036 0.000 1.255 23 W CA -0.467 56.869 57.345 -0.014 0.000 1.006 23 W CB 0.999 30.449 29.460 -0.018 0.000 1.608 23 W HN 0.528 nan 8.180 nan 0.000 0.620 24 T N 2.633 116.844 114.554 -0.571 0.000 2.923 24 T HA -0.034 4.315 4.350 -0.002 0.000 0.304 24 T C -0.190 174.499 174.700 -0.018 0.000 1.044 24 T CA 0.944 62.830 62.100 -0.357 0.000 1.141 24 T CB -0.039 68.517 68.868 -0.521 0.000 1.023 24 T HN 0.382 nan 8.240 nan 0.000 0.533 25 D N 1.099 121.507 120.400 0.014 0.000 2.947 25 D HA -0.153 4.486 4.640 -0.002 0.000 0.224 25 D C 1.107 177.515 176.300 0.181 0.000 1.132 25 D CA 1.446 55.498 54.000 0.087 0.000 0.801 25 D CB -1.716 39.133 40.800 0.082 0.000 1.097 25 D HN 1.483 nan 8.370 nan 0.000 0.431 26 G N 0.599 109.519 108.800 0.200 0.000 2.225 26 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.267 26 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.267 26 G C 0.274 175.448 174.900 0.456 0.000 1.024 26 G CA 0.711 45.991 45.100 0.299 0.000 0.784 26 G HN 0.655 nan 8.290 nan 0.000 0.507 27 R N -0.422 120.323 120.500 0.408 0.000 2.340 27 R HA 0.522 4.861 4.340 -0.002 0.000 0.300 27 R C 0.412 176.838 176.300 0.209 0.000 1.069 27 R CA -0.899 55.447 56.100 0.410 0.000 0.984 27 R CB 0.310 30.889 30.300 0.464 0.000 1.003 27 R HN 0.328 nan 8.270 nan 0.000 0.459 28 L N 4.839 126.014 121.223 -0.079 0.000 2.342 28 L HA 0.381 4.720 4.340 -0.002 0.000 0.285 28 L C -0.834 175.887 176.870 -0.248 0.000 1.095 28 L CA 0.118 54.743 54.840 -0.359 0.000 0.843 28 L CB 0.708 42.124 42.059 -1.071 0.000 1.201 28 L HN 0.717 nan 8.230 nan 0.000 0.445 29 A N 7.091 129.829 122.820 -0.138 0.000 2.260 29 A HA 0.727 5.046 4.320 -0.002 0.000 0.308 29 A C -0.285 177.215 177.584 -0.139 0.000 1.254 29 A CA -0.456 51.483 52.037 -0.163 0.000 0.874 29 A CB 0.168 19.057 19.000 -0.186 0.000 1.153 29 A HN 0.794 nan 8.150 nan 0.000 0.527 30 M N 5.822 125.356 119.600 -0.109 0.000 1.960 30 M HA 0.274 4.753 4.480 -0.002 0.000 0.271 30 M C -2.735 173.632 176.300 0.111 0.000 0.862 30 M CA -1.413 53.868 55.300 -0.032 0.000 0.854 30 M CB 2.226 34.784 32.600 -0.071 0.000 1.575 30 M HN 0.452 nan 8.290 nan 0.000 0.375 31 P HA 0.196 nan 4.420 nan 0.000 0.280 31 P C 0.494 177.702 177.300 -0.154 0.000 1.272 31 P CA -0.254 62.812 63.100 -0.056 0.000 0.819 31 P CB 1.228 32.899 31.700 -0.047 0.000 1.122 32 T N -1.104 113.370 114.554 -0.133 0.000 2.720 32 T HA -0.143 4.206 4.350 -0.002 0.000 0.268 32 T C 0.253 174.792 174.700 -0.268 0.000 1.037 32 T CA 1.687 63.692 62.100 -0.159 0.000 1.144 32 T CB -0.772 68.088 68.868 -0.013 0.000 0.864 32 T HN 0.449 nan 8.240 nan 0.000 0.444 33 D N 0.061 120.363 120.400 -0.163 0.000 2.330 33 D HA 0.313 4.952 4.640 -0.002 0.000 0.249 33 D C -2.022 174.208 176.300 -0.117 0.000 1.306 33 D CA -2.061 51.855 54.000 -0.141 0.000 0.956 33 D CB 1.760 42.535 40.800 -0.042 0.000 1.261 33 D HN 0.082 nan 8.370 nan 0.000 0.544 34 P HA -0.056 nan 4.420 nan 0.000 0.228 34 P C 1.504 178.734 177.300 -0.116 0.000 1.151 34 P CA 0.300 63.328 63.100 -0.121 0.000 0.770 34 P CB 0.519 32.138 31.700 -0.135 0.000 0.786 35 L N -0.981 120.196 121.223 -0.076 0.000 2.376 35 L HA -0.053 4.286 4.340 -0.002 0.000 0.219 35 L C 2.494 179.319 176.870 -0.075 0.000 1.133 35 L CA 0.486 55.296 54.840 -0.049 0.000 0.816 35 L CB -0.687 41.380 42.059 0.013 0.000 0.933 35 L HN -0.148 nan 8.230 nan 0.000 0.449 36 V N -0.367 119.500 119.914 -0.078 0.000 2.594 36 V HA -0.200 3.919 4.120 -0.002 0.000 0.253 36 V C 1.219 177.252 176.094 -0.103 0.000 1.069 36 V CA 1.318 63.574 62.300 -0.073 0.000 1.082 36 V CB -0.564 31.224 31.823 -0.059 0.000 0.680 36 V HN 0.722 nan 8.190 nan 0.000 0.469 37 N N -1.450 117.163 118.700 -0.144 0.000 5.926 37 N HA -0.140 4.599 4.740 -0.002 0.000 0.377 37 N C -0.573 174.838 175.510 -0.164 0.000 0.936 37 N CA -0.448 52.489 53.050 -0.188 0.000 1.157 37 N CB -0.282 38.102 38.487 -0.171 0.000 1.199 37 N HN 0.203 nan 8.380 nan 0.000 0.268 38 R N 1.315 121.707 120.500 -0.180 0.000 2.404 38 R HA 0.196 4.535 4.340 -0.002 0.000 0.315 38 R C -0.076 176.202 176.300 -0.036 0.000 1.032 38 R CA 0.523 56.560 56.100 -0.104 0.000 0.992 38 R CB 0.111 30.313 30.300 -0.162 0.000 0.959 38 R HN 0.442 nan 8.270 nan 0.000 0.428 39 T N -0.736 113.821 114.554 0.005 0.000 2.918 39 T HA 0.502 4.851 4.350 -0.002 0.000 0.286 39 T C -0.039 174.674 174.700 0.020 0.000 1.026 39 T CA -0.811 61.287 62.100 -0.002 0.000 1.031 39 T CB 2.198 71.060 68.868 -0.010 0.000 1.046 39 T HN 0.302 nan 8.240 nan 0.000 0.479 40 T N 2.029 116.578 114.554 -0.008 0.000 2.881 40 T HA 0.661 5.010 4.350 -0.002 0.000 0.290 40 T C -0.825 173.857 174.700 -0.031 0.000 1.000 40 T CA -0.717 61.370 62.100 -0.023 0.000 0.978 40 T CB 1.607 70.436 68.868 -0.065 0.000 0.997 40 T HN 0.709 nan 8.240 nan 0.000 0.443 41 S N 1.982 117.690 115.700 0.013 0.000 2.571 41 S HA 0.486 4.955 4.470 -0.002 0.000 0.284 41 S C -1.213 173.506 174.600 0.198 0.000 1.128 41 S CA -0.765 57.467 58.200 0.053 0.000 0.970 41 S CB 1.033 64.252 63.200 0.031 0.000 1.039 41 S HN 0.703 nan 8.310 nan 0.000 0.485 42 H N 0.834 119.908 119.070 0.006 0.000 2.495 42 H HA 0.682 5.237 4.556 -0.002 0.000 0.348 42 H C -0.549 174.808 175.328 0.047 0.000 1.113 42 H CA -0.931 55.137 56.048 0.033 0.000 1.195 42 H CB 1.729 31.511 29.762 0.033 0.000 1.521 42 H HN 0.700 nan 8.280 nan 0.000 0.509 43 A N 4.955 127.842 122.820 0.111 0.000 2.375 43 A HA 0.494 4.813 4.320 -0.002 0.000 0.291 43 A C -1.096 176.433 177.584 -0.091 0.000 1.160 43 A CA -0.554 51.474 52.037 -0.015 0.000 0.747 43 A CB 0.486 19.500 19.000 0.024 0.000 1.170 43 A HN 0.545 nan 8.150 nan 0.000 0.458 44 L N 1.714 122.847 121.223 -0.151 0.000 2.362 44 L HA 0.440 4.779 4.340 -0.002 0.000 0.271 44 L C -0.363 176.504 176.870 -0.005 0.000 1.002 44 L CA -1.090 53.684 54.840 -0.110 0.000 0.818 44 L CB 1.614 43.575 42.059 -0.163 0.000 1.298 44 L HN 0.745 nan 8.230 nan 0.000 0.420 45 Y N 1.322 121.623 120.300 0.002 0.000 2.712 45 Y HA 0.038 4.587 4.550 -0.001 0.000 0.333 45 Y C 0.975 176.843 175.900 -0.053 0.000 1.225 45 Y CA 0.404 58.418 58.100 -0.143 0.000 1.499 45 Y CB 1.313 39.530 38.460 -0.405 0.000 1.288 45 Y HN 0.683 nan 8.280 nan 0.000 0.575 46 A N 3.974 126.388 122.820 -0.676 0.000 2.251 46 A HA 0.155 4.474 4.320 -0.002 0.000 0.209 46 A C 0.642 178.093 177.584 -0.223 0.000 1.187 46 A CA 0.454 52.313 52.037 -0.296 0.000 0.823 46 A CB -0.223 18.598 19.000 -0.298 0.000 0.846 46 A HN 0.632 nan 8.150 nan 0.000 0.486 47 T N 1.761 116.019 114.554 -0.494 0.000 2.829 47 T HA 0.516 4.865 4.350 -0.002 0.000 0.280 47 T C -2.962 171.467 174.700 -0.452 0.000 0.999 47 T CA -1.354 60.499 62.100 -0.412 0.000 0.983 47 T CB 1.665 70.344 68.868 -0.316 0.000 0.968 47 T HN -0.040 nan 8.240 nan 0.000 0.446 48 P HA 0.214 nan 4.420 nan 0.000 0.268 48 P C -0.986 176.107 177.300 -0.346 0.000 1.205 48 P CA -0.348 62.178 63.100 -0.956 0.000 0.771 48 P CB 0.456 31.367 31.700 -1.315 0.000 0.858 49 V N 6.081 125.894 119.914 -0.168 0.000 2.370 49 V HA 0.285 4.404 4.120 -0.002 0.000 0.279 49 V C -2.007 174.053 176.094 -0.057 0.000 1.029 49 V CA -1.956 60.305 62.300 -0.064 0.000 0.870 49 V CB 1.287 33.074 31.823 -0.061 0.000 0.984 49 V HN 0.536 nan 8.190 nan 0.000 0.451 50 P HA 0.218 nan 4.420 nan 0.000 0.276 50 P C 0.530 177.854 177.300 0.041 0.000 1.264 50 P CA 0.034 63.101 63.100 -0.055 0.000 0.769 50 P CB 0.607 32.274 31.700 -0.055 0.000 0.840 51 I N 0.930 121.522 120.570 0.037 0.000 3.708 51 I HA 0.370 4.539 4.170 -0.002 0.000 0.302 51 I C 0.380 176.693 176.117 0.328 0.000 1.255 51 I CA 0.013 61.431 61.300 0.197 0.000 1.362 51 I CB -0.032 38.107 38.000 0.231 0.000 1.100 51 I HN 0.199 nan 8.210 nan 0.000 0.434 52 W N 0.824 122.167 121.300 0.072 0.000 3.025 52 W HA 0.601 5.260 4.660 -0.001 0.000 0.343 52 W C -2.224 174.322 176.519 0.045 0.000 1.246 52 W CA -1.153 56.232 57.345 0.066 0.000 1.178 52 W CB 0.627 30.125 29.460 0.065 0.000 1.463 52 W HN -0.162 nan 8.180 nan 0.000 0.578 53 D N 0.523 121.116 120.400 0.321 0.000 2.481 53 D HA 0.296 4.935 4.640 -0.002 0.000 0.246 53 D C 1.097 177.568 176.300 0.286 0.000 1.109 53 D CA -0.244 53.830 54.000 0.123 0.000 0.845 53 D CB 2.156 43.016 40.800 0.101 0.000 1.160 53 D HN 0.370 nan 8.370 nan 0.000 0.534 54 S N 2.889 118.684 115.700 0.158 0.000 2.399 54 S HA -0.159 4.310 4.470 -0.002 0.000 0.231 54 S C 2.042 176.763 174.600 0.202 0.000 1.022 54 S CA 0.850 59.252 58.200 0.337 0.000 0.983 54 S CB -0.332 62.989 63.200 0.202 0.000 0.803 54 S HN 0.474 nan 8.310 nan 0.000 0.480 55 A N 2.307 125.194 122.820 0.113 0.000 1.858 55 A HA -0.069 4.250 4.320 -0.002 0.000 0.216 55 A C 2.623 180.258 177.584 0.085 0.000 1.190 55 A CA 2.417 54.502 52.037 0.079 0.000 0.617 55 A CB -1.620 17.408 19.000 0.046 0.000 0.827 55 A HN 0.792 nan 8.150 nan 0.000 0.443 56 T N -4.913 109.699 114.554 0.095 0.000 3.054 56 T HA 0.379 4.728 4.350 -0.002 0.000 0.259 56 T C 1.567 176.325 174.700 0.097 0.000 1.092 56 T CA 1.204 63.354 62.100 0.082 0.000 1.121 56 T CB 0.007 68.920 68.868 0.075 0.000 0.912 56 T HN 1.806 nan 8.240 nan 0.000 0.489 57 G N 1.585 110.476 108.800 0.151 0.000 2.184 57 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.264 57 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.264 57 G C -0.058 174.926 174.900 0.139 0.000 0.975 57 G CA 0.089 45.273 45.100 0.140 0.000 0.642 57 G HN 0.712 nan 8.290 nan 0.000 0.536 58 N N -0.412 118.381 118.700 0.155 0.000 2.479 58 N HA 0.408 5.147 4.740 -0.002 0.000 0.257 58 N C -0.045 175.599 175.510 0.223 0.000 1.232 58 N CA 0.104 53.241 53.050 0.145 0.000 0.920 58 N CB 1.229 39.785 38.487 0.115 0.000 1.105 58 N HN 0.114 nan 8.380 nan 0.000 0.444 59 V N 1.300 121.332 119.914 0.197 0.000 2.628 59 V HA 0.522 4.641 4.120 -0.002 0.000 0.306 59 V C 0.219 176.464 176.094 0.251 0.000 1.045 59 V CA -0.976 61.488 62.300 0.273 0.000 0.905 59 V CB 1.527 33.491 31.823 0.236 0.000 0.997 59 V HN 0.776 nan 8.190 nan 0.000 0.436 60 A N 3.350 126.350 122.820 0.300 0.000 2.445 60 A HA 0.566 4.885 4.320 -0.002 0.000 0.242 60 A C 0.488 178.272 177.584 0.333 0.000 1.075 60 A CA 0.088 52.296 52.037 0.285 0.000 0.777 60 A CB 0.182 19.370 19.000 0.315 0.000 1.013 60 A HN 0.781 nan 8.150 nan 0.000 0.493 61 S N -0.021 115.804 115.700 0.208 0.000 2.651 61 S HA 0.822 5.291 4.470 -0.002 0.000 0.291 61 S C -0.620 174.082 174.600 0.171 0.000 1.141 61 S CA -0.232 58.040 58.200 0.119 0.000 1.027 61 S CB 0.813 63.998 63.200 -0.025 0.000 1.043 61 S HN 0.849 nan 8.310 nan 0.000 0.530 62 F N -0.149 119.831 119.950 0.050 0.000 2.662 62 F HA 0.780 5.306 4.527 -0.001 0.000 0.312 62 F C -1.303 174.388 175.800 -0.183 0.000 1.113 62 F CA -1.305 56.589 58.000 -0.177 0.000 0.951 62 F CB 0.963 39.711 39.000 -0.419 0.000 1.344 62 F HN 0.484 nan 8.300 nan 0.000 0.462 63 I N 1.325 121.878 120.570 -0.029 0.000 2.533 63 I HA 0.672 4.841 4.170 -0.002 0.000 0.290 63 I C -1.431 174.633 176.117 -0.088 0.000 1.056 63 I CA -0.170 61.113 61.300 -0.029 0.000 1.057 63 I CB 2.078 40.031 38.000 -0.078 0.000 1.240 63 I HN 0.953 nan 8.210 nan 0.000 0.423 64 T N 4.542 119.142 114.554 0.076 0.000 2.933 64 T HA 0.612 4.961 4.350 -0.002 0.000 0.305 64 T C -1.310 173.496 174.700 0.177 0.000 1.092 64 T CA -0.285 61.898 62.100 0.138 0.000 1.008 64 T CB 1.399 70.457 68.868 0.316 0.000 1.102 64 T HN 0.595 nan 8.240 nan 0.000 0.469 65 S N 2.735 118.604 115.700 0.281 0.000 2.536 65 S HA 0.894 5.363 4.470 -0.002 0.000 0.287 65 S C -1.474 173.432 174.600 0.510 0.000 1.101 65 S CA -0.692 57.626 58.200 0.197 0.000 0.950 65 S CB 0.866 64.136 63.200 0.116 0.000 1.056 65 S HN 0.662 nan 8.310 nan 0.000 0.481 66 F N -0.438 119.730 119.950 0.362 0.000 2.619 66 F HA 0.829 5.355 4.527 -0.002 0.000 0.308 66 F C -0.314 175.687 175.800 0.336 0.000 1.097 66 F CA -1.032 57.216 58.000 0.413 0.000 0.953 66 F CB 1.197 40.434 39.000 0.395 0.000 1.287 66 F HN 0.463 nan 8.300 nan 0.000 0.446 67 S N 2.296 118.309 115.700 0.522 0.000 2.503 67 S HA 0.920 5.389 4.470 -0.002 0.000 0.301 67 S C -1.095 173.793 174.600 0.481 0.000 1.087 67 S CA -0.522 57.924 58.200 0.411 0.000 1.042 67 S CB 1.578 64.977 63.200 0.331 0.000 1.043 67 S HN 1.210 nan 8.310 nan 0.000 0.489 68 F N -0.104 119.920 119.950 0.125 0.000 2.745 68 F HA 0.838 5.364 4.527 -0.002 0.000 0.316 68 F C -1.782 174.050 175.800 0.053 0.000 1.155 68 F CA -1.464 56.465 58.000 -0.118 0.000 0.937 68 F CB 0.980 39.859 39.000 -0.201 0.000 1.361 68 F HN 0.551 nan 8.300 nan 0.000 0.472 69 I N 2.214 122.766 120.570 -0.029 0.000 2.656 69 I HA 0.548 4.717 4.170 -0.002 0.000 0.292 69 I C -1.119 175.095 176.117 0.161 0.000 1.144 69 I CA -1.315 60.017 61.300 0.053 0.000 1.038 69 I CB 2.478 40.639 38.000 0.268 0.000 1.244 69 I HN 0.763 nan 8.210 nan 0.000 0.420 70 V N 2.165 122.199 119.914 0.201 0.000 2.483 70 V HA 0.761 4.880 4.120 -0.002 0.000 0.295 70 V C -0.334 175.789 176.094 0.048 0.000 1.035 70 V CA -0.103 62.295 62.300 0.164 0.000 0.896 70 V CB 1.572 33.599 31.823 0.339 0.000 0.986 70 V HN 0.676 nan 8.190 nan 0.000 0.447 71 S N 3.754 119.435 115.700 -0.033 0.000 2.521 71 S HA 0.528 4.997 4.470 -0.002 0.000 0.295 71 S C -0.548 174.018 174.600 -0.057 0.000 1.098 71 S CA -0.779 57.402 58.200 -0.031 0.000 0.999 71 S CB 1.349 64.540 63.200 -0.015 0.000 1.034 71 S HN 0.918 nan 8.310 nan 0.000 0.483 72 N N 1.552 120.234 118.700 -0.030 0.000 2.395 72 N HA 0.251 4.990 4.740 -0.002 0.000 0.246 72 N C -0.496 175.013 175.510 -0.000 0.000 1.246 72 N CA -0.012 53.031 53.050 -0.012 0.000 0.879 72 N CB 0.723 39.206 38.487 -0.007 0.000 1.098 72 N HN 0.490 nan 8.380 nan 0.000 0.444 73 V N 0.736 120.675 119.914 0.042 0.000 2.789 73 V HA 0.267 4.386 4.120 -0.002 0.000 0.300 73 V C -0.219 176.016 176.094 0.236 0.000 1.184 73 V CA -0.423 61.929 62.300 0.087 0.000 0.930 73 V CB 1.955 33.820 31.823 0.069 0.000 1.041 73 V HN 0.773 nan 8.190 nan 0.000 0.430 74 Q N 4.582 124.448 119.800 0.111 0.000 2.435 74 Q HA 0.493 4.832 4.340 -0.002 0.000 0.180 74 Q C 1.076 177.002 176.000 -0.122 0.000 0.699 74 Q CA 0.225 55.988 55.803 -0.066 0.000 0.805 74 Q CB 0.590 29.175 28.738 -0.254 0.000 1.157 74 Q HN 0.675 nan 8.270 nan 0.000 0.570 75 R N -0.511 119.828 120.500 -0.269 0.000 2.427 75 R HA 0.293 4.632 4.340 -0.002 0.000 0.262 75 R C -0.792 175.416 176.300 -0.153 0.000 0.943 75 R CA -0.155 55.833 56.100 -0.187 0.000 1.081 75 R CB -0.109 30.076 30.300 -0.193 0.000 1.166 75 R HN 0.243 nan 8.270 nan 0.000 0.534 76 Y N 1.584 121.874 120.300 -0.016 0.000 2.379 76 Y HA 0.169 4.718 4.550 -0.002 0.000 0.337 76 Y C -1.409 174.487 175.900 -0.006 0.000 1.238 76 Y CA -2.099 55.994 58.100 -0.011 0.000 1.405 76 Y CB 0.236 38.686 38.460 -0.017 0.000 1.310 76 Y HN 0.023 nan 8.280 nan 0.000 0.569 77 P HA 0.101 nan 4.420 nan 0.000 0.274 77 P C -2.738 174.619 177.300 0.095 0.000 1.231 77 P CA -1.841 61.326 63.100 0.111 0.000 0.790 77 P CB 0.516 32.280 31.700 0.107 0.000 0.951 78 P HA 0.201 nan 4.420 nan 0.000 0.285 78 P C -0.478 176.870 177.300 0.081 0.000 1.259 78 P CA 0.262 63.397 63.100 0.059 0.000 0.794 78 P CB 0.762 32.480 31.700 0.029 0.000 0.940 79 T N -1.349 113.250 114.554 0.074 0.000 2.786 79 T HA 0.281 4.630 4.350 -0.002 0.000 0.316 79 T C -0.383 174.426 174.700 0.182 0.000 1.503 79 T CA -0.521 61.634 62.100 0.092 0.000 1.019 79 T CB 1.530 70.349 68.868 -0.080 0.000 1.415 79 T HN 0.219 nan 8.240 nan 0.000 0.496 80 D N -0.033 120.505 120.400 0.230 0.000 2.470 80 D HA 0.406 5.045 4.640 -0.002 0.000 0.238 80 D C 0.954 177.370 176.300 0.194 0.000 1.054 80 D CA 1.050 55.142 54.000 0.153 0.000 0.896 80 D CB 1.299 42.139 40.800 0.066 0.000 1.118 80 D HN 1.121 nan 8.370 nan 0.000 0.497 81 G N 0.248 109.154 108.800 0.176 0.000 2.337 81 G HA2 0.281 4.240 3.960 -0.002 0.000 0.298 81 G HA3 0.281 4.240 3.960 -0.002 0.000 0.298 81 G C -2.178 172.532 174.900 -0.317 0.000 1.335 81 G CA -0.325 44.843 45.100 0.114 0.000 0.875 81 G HN 0.078 nan 8.290 nan 0.000 0.579 82 V N -0.109 119.702 119.914 -0.171 0.000 2.709 82 V HA 0.854 4.973 4.120 -0.002 0.000 0.308 82 V C -0.351 175.743 176.094 -0.001 0.000 1.062 82 V CA 0.011 62.152 62.300 -0.265 0.000 0.901 82 V CB 1.585 33.188 31.823 -0.367 0.000 1.003 82 V HN 2.120 nan 8.190 nan 0.000 0.425 83 V N 4.323 124.232 119.914 -0.007 0.000 2.914 83 V HA 0.755 4.874 4.120 -0.002 0.000 0.314 83 V C -1.048 175.172 176.094 0.210 0.000 1.084 83 V CA -0.832 61.533 62.300 0.108 0.000 0.963 83 V CB 1.823 33.626 31.823 -0.034 0.000 1.025 83 V HN 1.012 nan 8.190 nan 0.000 0.432 84 F N 5.972 125.982 119.950 0.101 0.000 2.421 84 F HA 0.894 5.420 4.527 -0.002 0.000 0.337 84 F C -0.754 175.096 175.800 0.082 0.000 1.105 84 F CA -1.449 56.453 58.000 -0.164 0.000 1.049 84 F CB 1.419 40.368 39.000 -0.084 0.000 1.139 84 F HN 0.779 nan 8.300 nan 0.000 0.479 85 F N 4.961 124.254 119.950 -1.096 0.000 2.654 85 F HA 0.753 5.279 4.527 -0.002 0.000 0.308 85 F C -2.563 172.813 175.800 -0.707 0.000 1.108 85 F CA -1.391 56.219 58.000 -0.650 0.000 0.957 85 F CB 1.083 39.882 39.000 -0.335 0.000 1.309 85 F HN 0.281 nan 8.300 nan 0.000 0.446 86 L N 3.295 124.277 121.223 -0.402 0.000 2.329 86 L HA 0.947 5.286 4.340 -0.002 0.000 0.279 86 L C -0.255 176.559 176.870 -0.094 0.000 1.014 86 L CA -0.691 53.929 54.840 -0.366 0.000 0.814 86 L CB 1.573 43.548 42.059 -0.140 0.000 1.257 86 L HN 1.046 nan 8.230 nan 0.000 0.424 87 A N 3.294 126.026 122.820 -0.147 0.000 2.587 87 A HA 0.911 5.230 4.320 -0.002 0.000 0.293 87 A C -2.883 174.727 177.584 0.043 0.000 1.087 87 A CA -1.606 50.469 52.037 0.063 0.000 0.692 87 A CB 1.425 20.540 19.000 0.191 0.000 1.291 87 A HN 0.448 nan 8.150 nan 0.000 0.407 88 P HA -0.043 nan 4.420 nan 0.000 0.265 88 P C -0.216 177.148 177.300 0.107 0.000 1.187 88 P CA 0.184 63.347 63.100 0.105 0.000 0.766 88 P CB 0.363 32.118 31.700 0.093 0.000 0.820 89 W N 3.125 124.394 121.300 -0.050 0.000 2.223 89 W HA 0.202 4.861 4.660 -0.002 0.000 0.334 89 W C 1.061 177.559 176.519 -0.034 0.000 1.334 89 W CA 1.717 59.027 57.345 -0.059 0.000 1.246 89 W CB 0.361 29.779 29.460 -0.071 0.000 1.184 89 W HN 0.805 nan 8.180 nan 0.000 0.563 90 G N 2.331 110.754 108.800 -0.628 0.000 2.213 90 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.226 90 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.226 90 G C 0.427 175.173 174.900 -0.256 0.000 0.992 90 G CA 0.229 45.121 45.100 -0.347 0.000 0.632 90 G HN 0.915 nan 8.290 nan 0.000 0.511 91 T N 0.519 114.932 114.554 -0.236 0.000 2.765 91 T HA 0.344 4.693 4.350 -0.002 0.000 0.275 91 T C 0.218 174.851 174.700 -0.112 0.000 1.007 91 T CA 1.492 63.530 62.100 -0.104 0.000 1.175 91 T CB 0.750 69.613 68.868 -0.009 0.000 0.993 91 T HN 0.482 nan 8.240 nan 0.000 0.510 92 E N 3.300 123.464 120.200 -0.061 0.000 2.281 92 E HA 0.546 4.895 4.350 -0.002 0.000 0.262 92 E C -0.043 176.511 176.600 -0.078 0.000 0.933 92 E CA -1.062 55.291 56.400 -0.078 0.000 0.809 92 E CB 1.184 30.824 29.700 -0.100 0.000 1.242 92 E HN 0.750 nan 8.360 nan 0.000 0.418 93 I N 4.140 124.567 120.570 -0.238 0.000 2.742 93 I HA 0.037 4.206 4.170 -0.002 0.000 0.287 93 I C -1.836 174.167 176.117 -0.190 0.000 1.186 93 I CA -1.043 60.020 61.300 -0.395 0.000 1.417 93 I CB 0.071 37.763 38.000 -0.514 0.000 1.377 93 I HN 0.297 nan 8.210 nan 0.000 0.556 94 P HA 0.256 nan 4.420 nan 0.000 0.274 94 P C -2.516 174.720 177.300 -0.108 0.000 1.246 94 P CA -1.439 61.596 63.100 -0.107 0.000 0.795 94 P CB -0.160 31.479 31.700 -0.102 0.000 1.006 95 P HA 0.118 nan 4.420 nan 0.000 0.274 95 P C -0.459 176.783 177.300 -0.096 0.000 1.237 95 P CA -0.075 62.977 63.100 -0.080 0.000 0.793 95 P CB -0.143 31.516 31.700 -0.067 0.000 0.977 96 N N -1.628 117.027 118.700 -0.076 0.000 2.747 96 N HA -0.178 4.561 4.740 -0.002 0.000 0.249 96 N C 0.074 175.495 175.510 -0.149 0.000 1.107 96 N CA 0.902 53.890 53.050 -0.103 0.000 0.707 96 N CB -2.124 36.267 38.487 -0.161 0.000 1.054 96 N HN 0.506 nan 8.380 nan 0.000 0.555 97 S N -2.015 113.653 115.700 -0.054 0.000 2.650 97 S HA 0.128 4.597 4.470 -0.002 0.000 0.240 97 S C 0.412 175.074 174.600 0.104 0.000 1.007 97 S CA -0.616 57.574 58.200 -0.016 0.000 0.984 97 S CB 0.532 63.678 63.200 -0.089 0.000 0.910 97 S HN 0.288 nan 8.310 nan 0.000 0.509 98 Q N 1.133 121.034 119.800 0.167 0.000 2.474 98 Q HA 0.448 4.787 4.340 -0.002 0.000 0.256 98 Q C 1.384 177.526 176.000 0.237 0.000 1.048 98 Q CA 0.710 56.663 55.803 0.250 0.000 0.922 98 Q CB 0.279 29.252 28.738 0.393 0.000 1.288 98 Q HN 0.531 nan 8.270 nan 0.000 0.484 99 G N 1.091 110.027 108.800 0.226 0.000 2.602 99 G HA2 -0.402 3.557 3.960 -0.002 0.000 0.310 99 G HA3 -0.402 3.557 3.960 -0.002 0.000 0.310 99 G C 0.806 175.660 174.900 -0.077 0.000 1.183 99 G CA 0.070 45.169 45.100 -0.001 0.000 0.979 99 G HN 0.865 nan 8.290 nan 0.000 0.545 100 G N -1.065 107.609 108.800 -0.210 0.000 2.559 100 G HA2 0.171 4.130 3.960 -0.002 0.000 0.216 100 G HA3 0.171 4.130 3.960 -0.002 0.000 0.216 100 G C 1.303 176.191 174.900 -0.020 0.000 1.126 100 G CA 1.562 46.647 45.100 -0.026 0.000 0.778 100 G HN 0.629 nan 8.290 nan 0.000 0.543 101 Y N -0.440 119.909 120.300 0.081 0.000 2.490 101 Y HA 0.370 4.919 4.550 -0.002 0.000 0.281 101 Y C 1.533 177.356 175.900 -0.127 0.000 1.174 101 Y CA -0.650 57.398 58.100 -0.087 0.000 1.295 101 Y CB 0.010 38.378 38.460 -0.154 0.000 1.062 101 Y HN -0.004 nan 8.280 nan 0.000 0.522 102 L N -0.341 120.889 121.223 0.012 0.000 4.179 102 L HA -0.342 3.997 4.340 -0.002 0.000 0.418 102 L C 1.434 178.213 176.870 -0.152 0.000 1.168 102 L CA 0.761 55.556 54.840 -0.075 0.000 0.972 102 L CB -1.854 40.148 42.059 -0.096 0.000 2.005 102 L HN 0.513 nan 8.230 nan 0.000 0.935 103 G N 0.007 108.751 108.800 -0.093 0.000 2.155 103 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.257 103 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.257 103 G C 0.604 175.406 174.900 -0.164 0.000 0.983 103 G CA 0.764 45.814 45.100 -0.082 0.000 0.676 103 G HN 0.918 nan 8.290 nan 0.000 0.528 104 I N -4.521 115.822 120.570 -0.377 0.000 4.592 104 I HA 0.401 4.570 4.170 -0.002 0.000 0.329 104 I C 0.253 175.988 176.117 -0.637 0.000 1.309 104 I CA 0.198 61.084 61.300 -0.689 0.000 1.243 104 I CB 0.939 38.207 38.000 -1.220 0.000 1.241 104 I HN -0.039 nan 8.210 nan 0.000 0.434 105 T N 2.543 116.874 114.554 -0.372 0.000 2.779 105 T HA 0.230 4.579 4.350 -0.002 0.000 0.280 105 T C -0.788 173.785 174.700 -0.213 0.000 0.987 105 T CA -0.135 61.836 62.100 -0.215 0.000 0.966 105 T CB 1.752 70.580 68.868 -0.066 0.000 0.933 105 T HN 0.114 nan 8.240 nan 0.000 0.442 106 D N 2.547 122.833 120.400 -0.190 0.000 2.374 106 D HA 0.072 4.711 4.640 -0.002 0.000 0.240 106 D C 1.511 177.609 176.300 -0.337 0.000 1.229 106 D CA -0.229 53.635 54.000 -0.226 0.000 0.895 106 D CB 0.787 41.505 40.800 -0.137 0.000 1.046 106 D HN 0.519 nan 8.370 nan 0.000 0.498 107 S N 2.026 117.360 115.700 -0.610 0.000 2.440 107 S HA -0.154 4.315 4.470 -0.002 0.000 0.240 107 S C 1.287 175.666 174.600 -0.368 0.000 1.014 107 S CA 0.619 58.341 58.200 -0.795 0.000 0.980 107 S CB -0.027 62.367 63.200 -1.344 0.000 0.775 107 S HN 0.249 nan 8.310 nan 0.000 0.499 108 S N 2.114 117.666 115.700 -0.247 0.000 2.573 108 S HA 0.399 4.868 4.470 -0.002 0.000 0.244 108 S C -0.185 174.353 174.600 -0.104 0.000 0.984 108 S CA -0.596 57.519 58.200 -0.141 0.000 1.001 108 S CB -0.455 62.682 63.200 -0.104 0.000 0.788 108 S HN 0.605 nan 8.310 nan 0.000 0.456 109 N N -0.225 118.407 118.700 -0.113 0.000 2.452 109 N HA 0.368 5.107 4.740 -0.002 0.000 0.277 109 N C 0.226 175.695 175.510 -0.069 0.000 1.078 109 N CA 0.232 53.239 53.050 -0.072 0.000 0.947 109 N CB 1.403 39.851 38.487 -0.065 0.000 1.655 109 N HN -0.120 nan 8.380 nan 0.000 0.490 110 S N 1.552 117.225 115.700 -0.044 0.000 1.476 110 S HA -0.201 4.268 4.470 -0.002 0.000 0.242 110 S C 0.370 174.963 174.600 -0.012 0.000 0.711 110 S CA 1.344 59.529 58.200 -0.026 0.000 1.268 110 S CB -0.991 62.193 63.200 -0.026 0.000 1.523 110 S HN 0.737 nan 8.310 nan 0.000 0.510 111 Q N 1.550 121.347 119.800 -0.005 0.000 2.198 111 Q HA 0.315 4.654 4.340 -0.002 0.000 0.209 111 Q C -0.431 175.590 176.000 0.035 0.000 0.848 111 Q CA -0.106 55.702 55.803 0.009 0.000 0.974 111 Q CB 0.107 28.848 28.738 0.005 0.000 1.115 111 Q HN 0.623 nan 8.270 nan 0.000 0.494 112 N N 2.438 121.172 118.700 0.056 0.000 2.447 112 N HA -0.030 4.709 4.740 -0.002 0.000 0.263 112 N C -0.227 175.371 175.510 0.147 0.000 1.226 112 N CA 0.526 53.672 53.050 0.160 0.000 0.906 112 N CB 0.722 39.366 38.487 0.263 0.000 1.060 112 N HN 0.182 nan 8.380 nan 0.000 0.468 113 Q N 3.085 123.026 119.800 0.234 0.000 2.337 113 Q HA 0.420 4.759 4.340 -0.002 0.000 0.260 113 Q C -1.764 174.384 176.000 0.248 0.000 0.982 113 Q CA -0.628 55.236 55.803 0.102 0.000 0.734 113 Q CB 0.551 29.335 28.738 0.076 0.000 1.272 113 Q HN 0.580 nan 8.270 nan 0.000 0.461 114 F N -0.052 119.928 119.950 0.050 0.000 2.799 114 F HA 0.652 5.178 4.527 -0.001 0.000 0.316 114 F C -2.122 173.719 175.800 0.068 0.000 1.155 114 F CA -1.090 56.960 58.000 0.082 0.000 0.916 114 F CB 0.835 39.912 39.000 0.129 0.000 1.294 114 F HN 0.018 nan 8.300 nan 0.000 0.447 115 V N 1.854 121.890 119.914 0.204 0.000 2.487 115 V HA 0.905 5.024 4.120 -0.002 0.000 0.298 115 V C -0.387 175.897 176.094 0.317 0.000 1.028 115 V CA -0.231 62.149 62.300 0.133 0.000 0.860 115 V CB 1.093 32.963 31.823 0.078 0.000 0.991 115 V HN 1.251 nan 8.190 nan 0.000 0.427 116 A N 4.337 127.363 122.820 0.344 0.000 2.454 116 A HA 0.919 5.238 4.320 -0.002 0.000 0.302 116 A C -1.221 176.513 177.584 0.250 0.000 1.079 116 A CA -0.614 51.614 52.037 0.319 0.000 0.731 116 A CB 2.175 21.363 19.000 0.313 0.000 1.299 116 A HN 0.618 nan 8.150 nan 0.000 0.413 117 V N 2.430 122.506 119.914 0.270 0.000 2.357 117 V HA 0.401 4.520 4.120 -0.002 0.000 0.284 117 V C -0.150 175.937 176.094 -0.011 0.000 1.018 117 V CA -0.381 62.008 62.300 0.148 0.000 0.841 117 V CB 1.071 33.049 31.823 0.259 0.000 0.991 117 V HN 1.003 nan 8.190 nan 0.000 0.437 118 E N 4.212 124.320 120.200 -0.155 0.000 2.191 118 E HA 0.640 4.989 4.350 -0.002 0.000 0.274 118 E C -1.533 174.771 176.600 -0.492 0.000 0.948 118 E CA -0.693 55.603 56.400 -0.173 0.000 0.802 118 E CB 1.641 31.329 29.700 -0.020 0.000 1.137 118 E HN 0.431 nan 8.360 nan 0.000 0.397 119 F N 2.054 121.953 119.950 -0.085 0.000 2.311 119 F HA 0.231 4.757 4.527 -0.002 0.000 0.371 119 F C -0.230 175.620 175.800 0.084 0.000 1.083 119 F CA -0.868 57.005 58.000 -0.211 0.000 1.113 119 F CB 1.203 39.957 39.000 -0.409 0.000 1.349 119 F HN 0.464 nan 8.300 nan 0.000 0.470 120 D N 1.434 121.952 120.400 0.196 0.000 2.381 120 D HA 0.177 4.816 4.640 -0.002 0.000 0.235 120 D C 0.584 177.007 176.300 0.205 0.000 1.068 120 D CA -0.254 53.783 54.000 0.062 0.000 0.832 120 D CB 1.649 42.230 40.800 -0.365 0.000 1.101 120 D HN 0.427 nan 8.370 nan 0.000 0.515 121 S N 2.674 118.544 115.700 0.284 0.000 2.556 121 S HA 0.059 4.528 4.470 -0.002 0.000 0.216 121 S C 0.441 175.123 174.600 0.136 0.000 0.970 121 S CA -0.125 58.178 58.200 0.172 0.000 0.912 121 S CB -0.152 63.154 63.200 0.177 0.000 0.790 121 S HN 0.602 nan 8.310 nan 0.000 0.504 122 H N 1.561 120.652 119.070 0.034 0.000 2.840 122 H HA 0.516 5.071 4.556 -0.002 0.000 0.340 122 H C -3.412 171.901 175.328 -0.025 0.000 1.004 122 H CA -1.535 54.507 56.048 -0.011 0.000 1.288 122 H CB 1.855 31.591 29.762 -0.044 0.000 1.607 122 H HN -0.074 nan 8.280 nan 0.000 0.522 123 P HA 0.158 nan 4.420 nan 0.000 0.280 123 P C -0.756 176.135 177.300 -0.682 0.000 1.300 123 P CA -0.133 62.715 63.100 -0.420 0.000 0.785 123 P CB 0.385 31.904 31.700 -0.302 0.000 0.874 124 N N 0.593 118.890 118.700 -0.673 0.000 2.413 124 N HA 0.148 4.887 4.740 -0.002 0.000 0.266 124 N C 1.563 176.545 175.510 -0.879 0.000 1.238 124 N CA -0.802 51.634 53.050 -1.022 0.000 0.972 124 N CB 0.643 37.945 38.487 -1.976 0.000 1.210 124 N HN 0.090 nan 8.380 nan 0.000 0.547 125 V N -1.696 117.749 119.914 -0.782 0.000 2.490 125 V HA -0.138 3.981 4.120 -0.002 0.000 0.250 125 V C 1.193 177.181 176.094 -0.177 0.000 1.061 125 V CA 1.365 63.461 62.300 -0.340 0.000 1.064 125 V CB -1.037 30.703 31.823 -0.138 0.000 0.670 125 V HN 0.943 nan 8.190 nan 0.000 0.461 126 W N 0.250 121.518 121.300 -0.053 0.000 3.256 126 W HA 0.454 5.112 4.660 -0.002 0.000 0.269 126 W C 0.267 176.757 176.519 -0.048 0.000 1.310 126 W CA -0.970 56.354 57.345 -0.036 0.000 1.673 126 W CB -0.915 28.536 29.460 -0.015 0.000 1.115 126 W HN 0.034 nan 8.180 nan 0.000 0.686 127 D N 1.888 122.165 120.400 -0.204 0.000 2.358 127 D HA 0.112 4.751 4.640 -0.002 0.000 0.244 127 D C -2.225 173.957 176.300 -0.196 0.000 1.163 127 D CA -1.940 51.967 54.000 -0.156 0.000 0.945 127 D CB 0.312 40.974 40.800 -0.230 0.000 1.152 127 D HN -0.235 nan 8.370 nan 0.000 0.451 128 P HA 0.030 nan 4.420 nan 0.000 0.260 128 P C -0.196 177.008 177.300 -0.161 0.000 1.207 128 P CA 0.326 63.297 63.100 -0.216 0.000 0.780 128 P CB 0.185 31.725 31.700 -0.267 0.000 0.789 129 K N 1.324 121.666 120.400 -0.097 0.000 2.520 129 K HA 0.142 4.461 4.320 -0.002 0.000 0.205 129 K C 0.483 177.051 176.600 -0.055 0.000 1.035 129 K CA -0.087 56.155 56.287 -0.075 0.000 1.188 129 K CB 0.073 32.543 32.500 -0.050 0.000 0.894 129 K HN 0.427 nan 8.250 nan 0.000 0.497 130 S N 0.859 116.525 115.700 -0.058 0.000 2.617 130 S HA 0.068 4.537 4.470 -0.002 0.000 0.255 130 S C 0.096 174.668 174.600 -0.046 0.000 1.318 130 S CA -0.525 57.651 58.200 -0.039 0.000 0.978 130 S CB 0.609 63.789 63.200 -0.033 0.000 0.961 130 S HN 0.217 nan 8.310 nan 0.000 0.582 131 L N 2.357 123.562 121.223 -0.031 0.000 2.356 131 L HA 0.271 4.610 4.340 -0.002 0.000 0.282 131 L C -0.206 176.650 176.870 -0.023 0.000 1.132 131 L CA 0.383 55.202 54.840 -0.034 0.000 0.923 131 L CB -0.684 41.359 42.059 -0.027 0.000 1.278 131 L HN 0.565 nan 8.230 nan 0.000 0.436 132 R N 2.161 122.638 120.500 -0.039 0.000 2.460 132 R HA 0.296 4.635 4.340 -0.002 0.000 0.303 132 R C 0.265 176.564 176.300 -0.001 0.000 0.968 132 R CA -0.354 55.745 56.100 -0.002 0.000 0.889 132 R CB 2.337 32.625 30.300 -0.020 0.000 1.123 132 R HN 0.535 nan 8.270 nan 0.000 0.455 133 S N 1.235 116.957 115.700 0.036 0.000 2.479 133 S HA 0.111 4.580 4.470 -0.002 0.000 0.157 133 S C 0.353 175.062 174.600 0.182 0.000 1.101 133 S CA -0.005 58.215 58.200 0.033 0.000 1.696 133 S CB 0.100 63.288 63.200 -0.020 0.000 0.580 133 S HN 0.580 nan 8.310 nan 0.000 0.407 134 S N 2.050 117.814 115.700 0.106 0.000 2.566 134 S HA 0.291 4.760 4.470 -0.002 0.000 0.280 134 S C -0.307 174.555 174.600 0.435 0.000 1.343 134 S CA -0.073 58.228 58.200 0.168 0.000 1.036 134 S CB -0.131 62.952 63.200 -0.194 0.000 0.866 134 S HN 0.785 nan 8.310 nan 0.000 0.526 135 H N -0.816 118.542 119.070 0.480 0.000 3.014 135 H HA 0.504 5.059 4.556 -0.002 0.000 0.337 135 H C -1.695 173.828 175.328 0.324 0.000 1.320 135 H CA -1.067 55.211 56.048 0.383 0.000 1.128 135 H CB 0.291 30.170 29.762 0.195 0.000 1.862 135 H HN 0.427 nan 8.280 nan 0.000 0.536 136 I N 1.182 121.880 120.570 0.213 0.000 2.354 136 I HA 0.550 4.719 4.170 -0.002 0.000 0.292 136 I C 0.531 176.651 176.117 0.006 0.000 0.989 136 I CA -0.177 61.059 61.300 -0.106 0.000 1.188 136 I CB 1.841 39.745 38.000 -0.160 0.000 1.342 136 I HN 0.780 nan 8.210 nan 0.000 0.457 137 G N 6.327 115.096 108.800 -0.052 0.000 2.574 137 G HA2 0.798 4.757 3.960 -0.002 0.000 0.299 137 G HA3 0.798 4.757 3.960 -0.002 0.000 0.299 137 G C -1.171 173.748 174.900 0.031 0.000 1.298 137 G CA -0.522 44.624 45.100 0.078 0.000 0.952 137 G HN 0.429 nan 8.290 nan 0.000 0.477 138 I N 1.341 121.952 120.570 0.069 0.000 2.406 138 I HA 0.322 4.491 4.170 -0.002 0.000 0.290 138 I C -1.153 175.018 176.117 0.090 0.000 0.999 138 I CA -0.765 60.585 61.300 0.084 0.000 1.124 138 I CB 2.140 40.191 38.000 0.084 0.000 1.289 138 I HN 0.230 nan 8.210 nan 0.000 0.441 139 D N 6.136 126.604 120.400 0.113 0.000 2.498 139 D HA 0.549 5.188 4.640 -0.002 0.000 0.247 139 D C -0.804 175.468 176.300 -0.047 0.000 1.070 139 D CA -0.262 53.795 54.000 0.095 0.000 0.842 139 D CB 2.944 43.911 40.800 0.279 0.000 1.361 139 D HN 0.028 nan 8.370 nan 0.000 0.484 140 V N 2.532 122.320 119.914 -0.210 0.000 2.488 140 V HA 0.284 4.403 4.120 -0.002 0.000 0.293 140 V C 0.541 176.299 176.094 -0.560 0.000 1.027 140 V CA -0.778 61.291 62.300 -0.386 0.000 0.862 140 V CB 0.847 32.563 31.823 -0.178 0.000 1.008 140 V HN 0.761 nan 8.190 nan 0.000 0.428 141 N N 1.620 119.618 118.700 -1.169 0.000 2.900 141 N HA -0.192 4.547 4.740 -0.002 0.000 0.240 141 N C 0.346 175.663 175.510 -0.322 0.000 0.953 141 N CA 1.254 53.859 53.050 -0.741 0.000 0.950 141 N CB -0.355 37.948 38.487 -0.307 0.000 1.102 141 N HN 0.652 nan 8.380 nan 0.000 0.593 142 S N -0.978 114.580 115.700 -0.236 0.000 2.546 142 S HA 0.540 5.009 4.470 -0.002 0.000 0.274 142 S C 0.259 174.973 174.600 0.189 0.000 1.121 142 S CA -0.705 57.514 58.200 0.033 0.000 0.887 142 S CB 1.828 65.011 63.200 -0.028 0.000 1.094 142 S HN 0.199 nan 8.310 nan 0.000 0.474 143 I N 3.268 123.902 120.570 0.107 0.000 3.111 143 I HA 0.234 4.403 4.170 -0.002 0.000 0.272 143 I C 0.449 176.575 176.117 0.015 0.000 1.268 143 I CA 0.870 62.179 61.300 0.015 0.000 1.467 143 I CB -0.152 37.699 38.000 -0.248 0.000 1.087 143 I HN 0.640 nan 8.210 nan 0.000 0.467 144 M N 0.762 120.371 119.600 0.014 0.000 2.193 144 M HA 0.155 4.634 4.480 -0.002 0.000 0.342 144 M C 0.604 176.963 176.300 0.098 0.000 1.413 144 M CA 0.050 55.413 55.300 0.105 0.000 1.191 144 M CB 0.294 32.946 32.600 0.087 0.000 1.633 144 M HN -0.083 nan 8.290 nan 0.000 0.458 145 S N 3.234 119.015 115.700 0.135 0.000 2.563 145 S HA 0.041 4.510 4.470 -0.002 0.000 0.294 145 S C 1.385 176.026 174.600 0.068 0.000 1.279 145 S CA -0.327 57.939 58.200 0.110 0.000 1.069 145 S CB 0.444 63.727 63.200 0.139 0.000 0.828 145 S HN 0.647 nan 8.310 nan 0.000 0.497 146 L N 2.056 123.308 121.223 0.049 0.000 2.141 146 L HA 0.066 4.405 4.340 -0.002 0.000 0.209 146 L C 1.204 178.096 176.870 0.038 0.000 1.094 146 L CA 1.222 56.081 54.840 0.032 0.000 0.763 146 L CB -0.128 41.943 42.059 0.020 0.000 0.908 146 L HN 0.511 nan 8.230 nan 0.000 0.437 147 K N -1.031 119.399 120.400 0.049 0.000 2.532 147 K HA 0.723 5.042 4.320 -0.002 0.000 0.265 147 K C -1.780 174.859 176.600 0.065 0.000 0.948 147 K CA -0.491 55.825 56.287 0.049 0.000 0.842 147 K CB 2.568 35.094 32.500 0.044 0.000 1.392 147 K HN -0.080 nan 8.250 nan 0.000 0.436 148 A N 1.361 124.220 122.820 0.065 0.000 2.604 148 A HA 0.690 5.009 4.320 -0.002 0.000 0.295 148 A C -1.906 175.736 177.584 0.097 0.000 1.067 148 A CA -0.636 51.459 52.037 0.096 0.000 0.683 148 A CB 1.840 20.906 19.000 0.110 0.000 1.281 148 A HN 0.406 nan 8.150 nan 0.000 0.407 149 V N 1.825 121.821 119.914 0.137 0.000 3.040 149 V HA 0.625 4.744 4.120 -0.002 0.000 0.312 149 V C -0.704 175.524 176.094 0.222 0.000 1.115 149 V CA -0.743 61.645 62.300 0.146 0.000 0.998 149 V CB 2.082 33.986 31.823 0.134 0.000 1.042 149 V HN 1.284 nan 8.190 nan 0.000 0.433 150 N N 3.206 122.028 118.700 0.204 0.000 2.424 150 N HA 0.180 4.919 4.740 -0.002 0.000 0.257 150 N C -1.236 174.493 175.510 0.364 0.000 1.250 150 N CA -0.298 52.914 53.050 0.269 0.000 0.946 150 N CB 1.207 39.801 38.487 0.179 0.000 1.175 150 N HN 0.800 nan 8.380 nan 0.000 0.477 151 W N 1.489 122.863 121.300 0.125 0.000 2.715 151 W HA 0.376 5.035 4.660 -0.002 0.000 0.331 151 W C -1.026 175.506 176.519 0.022 0.000 1.031 151 W CA -1.374 56.026 57.345 0.093 0.000 1.237 151 W CB 0.363 29.927 29.460 0.174 0.000 1.378 151 W HN 0.584 nan 8.180 nan 0.000 0.454 152 N N 5.092 123.773 118.700 -0.032 0.000 2.498 152 N HA 0.006 4.745 4.740 -0.002 0.000 0.277 152 N C 0.039 175.248 175.510 -0.502 0.000 1.208 152 N CA 0.095 53.006 53.050 -0.232 0.000 1.029 152 N CB 0.090 38.484 38.487 -0.155 0.000 1.403 152 N HN 0.452 nan 8.380 nan 0.000 0.500 153 R N 2.756 122.738 120.500 -0.864 0.000 2.370 153 R HA 0.188 4.527 4.340 -0.002 0.000 0.309 153 R C -1.157 174.873 176.300 -0.450 0.000 1.059 153 R CA -0.176 55.249 56.100 -1.125 0.000 0.981 153 R CB 0.293 29.800 30.300 -1.323 0.000 0.972 153 R HN 0.119 nan 8.270 nan 0.000 0.437 154 V N 4.169 123.940 119.914 -0.239 0.000 2.378 154 V HA 0.121 4.240 4.120 -0.002 0.000 0.288 154 V C 0.287 176.345 176.094 -0.060 0.000 1.016 154 V CA -0.745 61.486 62.300 -0.115 0.000 0.840 154 V CB 1.413 33.203 31.823 -0.055 0.000 0.994 154 V HN 0.871 nan 8.190 nan 0.000 0.431 155 S N 4.078 119.742 115.700 -0.060 0.000 2.546 155 S HA 0.364 4.833 4.470 -0.002 0.000 0.290 155 S C 1.479 176.082 174.600 0.005 0.000 1.290 155 S CA 1.129 59.313 58.200 -0.026 0.000 1.069 155 S CB 0.031 63.214 63.200 -0.029 0.000 0.846 155 S HN 2.001 nan 8.310 nan 0.000 0.495 156 G N 3.176 111.994 108.800 0.031 0.000 2.234 156 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.260 156 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.260 156 G C 0.309 175.247 174.900 0.063 0.000 0.987 156 G CA 0.419 45.553 45.100 0.056 0.000 0.625 156 G HN 1.133 nan 8.290 nan 0.000 0.532 157 S N 0.148 115.875 115.700 0.045 0.000 2.513 157 S HA 0.602 5.071 4.470 -0.002 0.000 0.276 157 S C 0.342 174.960 174.600 0.030 0.000 1.254 157 S CA -0.523 57.700 58.200 0.039 0.000 1.053 157 S CB 0.855 64.075 63.200 0.033 0.000 0.958 157 S HN 1.085 nan 8.310 nan 0.000 0.491 158 L N 5.561 126.804 121.223 0.034 0.000 2.462 158 L HA 0.345 4.684 4.340 -0.002 0.000 0.272 158 L C -0.170 176.659 176.870 -0.069 0.000 1.166 158 L CA 0.867 55.718 54.840 0.018 0.000 0.880 158 L CB 0.321 42.403 42.059 0.039 0.000 1.142 158 L HN 0.566 nan 8.230 nan 0.000 0.473 159 E N 5.350 125.374 120.200 -0.293 0.000 2.183 159 E HA 0.373 4.722 4.350 -0.002 0.000 0.271 159 E C -0.923 175.517 176.600 -0.266 0.000 0.919 159 E CA -0.555 55.611 56.400 -0.391 0.000 0.781 159 E CB 1.658 30.770 29.700 -0.980 0.000 1.140 159 E HN 0.460 nan 8.360 nan 0.000 0.402 160 K N 1.266 121.598 120.400 -0.113 0.000 2.507 160 K HA 0.550 4.869 4.320 -0.002 0.000 0.253 160 K C -0.841 175.699 176.600 -0.100 0.000 0.969 160 K CA -0.505 55.751 56.287 -0.052 0.000 0.908 160 K CB 1.860 34.350 32.500 -0.017 0.000 1.127 160 K HN 0.483 nan 8.250 nan 0.000 0.437 161 A N 2.299 124.995 122.820 -0.207 0.000 2.306 161 A HA 0.633 4.952 4.320 -0.002 0.000 0.314 161 A C -0.403 176.991 177.584 -0.316 0.000 1.164 161 A CA -0.340 51.499 52.037 -0.328 0.000 0.822 161 A CB 0.930 19.467 19.000 -0.771 0.000 1.130 161 A HN 0.532 nan 8.150 nan 0.000 0.496 162 T N 2.327 116.782 114.554 -0.166 0.000 2.881 162 T HA 0.580 4.929 4.350 -0.002 0.000 0.290 162 T C -0.642 174.033 174.700 -0.041 0.000 1.000 162 T CA -0.022 62.021 62.100 -0.096 0.000 0.978 162 T CB 0.769 69.607 68.868 -0.050 0.000 0.997 162 T HN 0.463 nan 8.240 nan 0.000 0.443 163 I N 3.528 124.104 120.570 0.010 0.000 2.436 163 I HA 0.518 4.687 4.170 -0.002 0.000 0.289 163 I C -0.755 175.396 176.117 0.057 0.000 1.010 163 I CA -0.892 60.457 61.300 0.082 0.000 1.098 163 I CB 1.858 39.976 38.000 0.196 0.000 1.266 163 I HN 0.462 nan 8.210 nan 0.000 0.434 164 I N 6.009 126.563 120.570 -0.026 0.000 2.389 164 I HA 0.260 4.429 4.170 -0.002 0.000 0.288 164 I C -1.148 174.823 176.117 -0.245 0.000 0.999 164 I CA -0.792 60.420 61.300 -0.147 0.000 1.129 164 I CB 1.676 39.602 38.000 -0.123 0.000 1.288 164 I HN 0.457 nan 8.210 nan 0.000 0.444 165 Y N 5.753 125.630 120.300 -0.706 0.000 2.353 165 Y HA 0.330 4.879 4.550 -0.001 0.000 0.340 165 Y C -0.442 175.215 175.900 -0.405 0.000 0.972 165 Y CA -0.837 56.862 58.100 -0.669 0.000 1.157 165 Y CB 0.980 38.735 38.460 -1.176 0.000 1.157 165 Y HN 0.522 nan 8.280 nan 0.000 0.495 166 D N 3.157 123.030 120.400 -0.878 0.000 2.427 166 D HA 0.154 4.793 4.640 -0.002 0.000 0.226 166 D C 0.723 176.553 176.300 -0.783 0.000 1.076 166 D CA -0.092 53.549 54.000 -0.598 0.000 0.849 166 D CB 1.227 41.809 40.800 -0.363 0.000 1.052 166 D HN 0.527 nan 8.370 nan 0.000 0.515 167 S N 2.676 118.085 115.700 -0.485 0.000 2.399 167 S HA -0.227 4.242 4.470 -0.002 0.000 0.231 167 S C 1.579 176.085 174.600 -0.157 0.000 1.022 167 S CA 0.826 58.894 58.200 -0.220 0.000 0.983 167 S CB -0.206 63.022 63.200 0.046 0.000 0.803 167 S HN 0.633 nan 8.310 nan 0.000 0.480 168 D N 2.433 122.742 120.400 -0.152 0.000 2.087 168 D HA -0.167 4.472 4.640 -0.002 0.000 0.192 168 D C 2.006 178.239 176.300 -0.112 0.000 0.993 168 D CA 2.462 56.401 54.000 -0.103 0.000 0.828 168 D CB -0.428 40.319 40.800 -0.088 0.000 0.968 168 D HN 0.662 nan 8.370 nan 0.000 0.448 169 T N -2.625 111.838 114.554 -0.152 0.000 3.081 169 T HA 0.153 4.502 4.350 -0.002 0.000 0.250 169 T C 0.806 175.421 174.700 -0.141 0.000 1.100 169 T CA 0.110 62.134 62.100 -0.126 0.000 1.038 169 T CB 0.157 68.957 68.868 -0.114 0.000 0.962 169 T HN 0.211 nan 8.240 nan 0.000 0.516 170 K N 0.442 120.695 120.400 -0.246 0.000 3.161 170 K HA -0.098 4.221 4.320 -0.002 0.000 0.270 170 K C -0.838 175.664 176.600 -0.163 0.000 1.115 170 K CA 0.258 56.416 56.287 -0.215 0.000 0.789 170 K CB -2.180 30.326 32.500 0.012 0.000 1.256 170 K HN 0.560 nan 8.250 nan 0.000 0.492 171 I N 1.149 121.527 120.570 -0.321 0.000 2.354 171 I HA 0.240 4.409 4.170 -0.002 0.000 0.292 171 I C -0.157 175.871 176.117 -0.149 0.000 0.989 171 I CA -1.165 60.048 61.300 -0.145 0.000 1.188 171 I CB 1.228 39.157 38.000 -0.119 0.000 1.342 171 I HN 0.002 nan 8.210 nan 0.000 0.457 172 L N 6.998 128.290 121.223 0.115 0.000 2.257 172 L HA 0.489 4.828 4.340 -0.002 0.000 0.290 172 L C -0.312 176.604 176.870 0.077 0.000 1.044 172 L CA 0.586 55.533 54.840 0.179 0.000 0.810 172 L CB 0.868 43.098 42.059 0.285 0.000 1.193 172 L HN 0.563 nan 8.230 nan 0.000 0.425 173 T N 4.114 118.685 114.554 0.029 0.000 2.856 173 T HA 0.715 5.064 4.350 -0.002 0.000 0.283 173 T C -0.868 173.855 174.700 0.039 0.000 1.008 173 T CA -0.525 61.587 62.100 0.021 0.000 0.997 173 T CB 1.850 70.708 68.868 -0.017 0.000 0.992 173 T HN 0.287 nan 8.240 nan 0.000 0.454 174 V N 2.574 122.513 119.914 0.042 0.000 2.588 174 V HA 0.709 4.828 4.120 -0.002 0.000 0.304 174 V C -0.443 175.667 176.094 0.027 0.000 1.042 174 V CA -0.859 61.470 62.300 0.048 0.000 0.877 174 V CB 1.749 33.608 31.823 0.060 0.000 0.996 174 V HN 0.721 nan 8.190 nan 0.000 0.425 175 V N 6.092 126.012 119.914 0.010 0.000 2.680 175 V HA 0.797 4.916 4.120 -0.002 0.000 0.309 175 V C -0.825 175.259 176.094 -0.017 0.000 1.052 175 V CA -0.660 61.635 62.300 -0.008 0.000 0.908 175 V CB 1.954 33.760 31.823 -0.029 0.000 1.001 175 V HN 0.906 nan 8.190 nan 0.000 0.431 176 M N 4.955 124.531 119.600 -0.040 0.000 2.085 176 M HA 0.524 5.003 4.480 -0.002 0.000 0.309 176 M C -0.309 175.780 176.300 -0.351 0.000 0.947 176 M CA 0.181 55.430 55.300 -0.086 0.000 0.918 176 M CB 1.740 34.381 32.600 0.067 0.000 1.504 176 M HN 0.777 nan 8.290 nan 0.000 0.420 177 T N 3.843 118.246 114.554 -0.252 0.000 2.743 177 T HA 0.400 4.749 4.350 -0.002 0.000 0.293 177 T C -0.403 174.171 174.700 -0.210 0.000 0.945 177 T CA -0.352 61.583 62.100 -0.275 0.000 1.030 177 T CB 0.024 68.821 68.868 -0.118 0.000 0.912 177 T HN 0.568 nan 8.240 nan 0.000 0.483 178 H N 1.314 120.411 119.070 0.046 0.000 2.495 178 H HA 0.235 4.790 4.556 -0.002 0.000 0.350 178 H C 1.326 176.673 175.328 0.033 0.000 1.202 178 H CA -0.957 55.123 56.048 0.053 0.000 1.322 178 H CB 0.796 30.618 29.762 0.101 0.000 1.544 178 H HN 0.403 nan 8.280 nan 0.000 0.565 179 Q N 1.506 121.402 119.800 0.161 0.000 2.197 179 Q HA -0.220 4.119 4.340 -0.002 0.000 0.207 179 Q C 1.063 177.111 176.000 0.081 0.000 0.984 179 Q CA 2.255 58.109 55.803 0.085 0.000 0.869 179 Q CB -0.367 28.407 28.738 0.060 0.000 0.906 179 Q HN 0.843 nan 8.270 nan 0.000 0.426 180 N N -1.952 116.813 118.700 0.108 0.000 2.571 180 N HA 0.008 4.747 4.740 -0.002 0.000 0.189 180 N C 0.939 176.497 175.510 0.079 0.000 1.154 180 N CA 0.506 53.606 53.050 0.083 0.000 0.907 180 N CB 0.054 38.588 38.487 0.079 0.000 0.977 180 N HN 0.342 nan 8.380 nan 0.000 0.449 181 G N -0.084 108.765 108.800 0.081 0.000 2.176 181 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.253 181 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.253 181 G C -0.086 174.843 174.900 0.050 0.000 0.979 181 G CA -0.015 45.115 45.100 0.050 0.000 0.641 181 G HN 0.478 nan 8.290 nan 0.000 0.530 182 Q N -0.292 119.570 119.800 0.103 0.000 2.317 182 Q HA 0.642 4.981 4.340 -0.002 0.000 0.229 182 Q C 0.286 176.279 176.000 -0.012 0.000 0.984 182 Q CA -0.008 55.864 55.803 0.114 0.000 0.911 182 Q CB 0.981 29.854 28.738 0.224 0.000 1.217 182 Q HN 0.625 nan 8.270 nan 0.000 0.501 183 I N -1.967 118.583 120.570 -0.033 0.000 2.785 183 I HA 0.492 4.661 4.170 -0.002 0.000 0.302 183 I C -0.463 175.641 176.117 -0.022 0.000 1.069 183 I CA -0.705 60.489 61.300 -0.178 0.000 1.045 183 I CB 2.250 40.200 38.000 -0.083 0.000 1.236 183 I HN 0.255 nan 8.210 nan 0.000 0.429 184 T N 2.341 116.869 114.554 -0.045 0.000 2.829 184 T HA 0.747 5.096 4.350 -0.002 0.000 0.280 184 T C -0.302 174.441 174.700 0.072 0.000 0.999 184 T CA -0.591 61.599 62.100 0.150 0.000 0.983 184 T CB 1.632 70.725 68.868 0.375 0.000 0.968 184 T HN 0.914 nan 8.240 nan 0.000 0.446 185 T N 0.725 115.323 114.554 0.074 0.000 2.906 185 T HA 0.860 5.209 4.350 -0.002 0.000 0.295 185 T C -0.795 173.938 174.700 0.055 0.000 1.075 185 T CA -0.864 61.265 62.100 0.049 0.000 1.005 185 T CB 1.707 70.592 68.868 0.028 0.000 1.136 185 T HN 0.642 nan 8.240 nan 0.000 0.498 186 I N 0.219 120.815 120.570 0.044 0.000 2.828 186 I HA 0.581 4.750 4.170 -0.002 0.000 0.295 186 I C -1.685 174.455 176.117 0.039 0.000 1.459 186 I CA -0.414 60.912 61.300 0.043 0.000 1.015 186 I CB 2.164 40.193 38.000 0.048 0.000 1.345 186 I HN 0.910 nan 8.210 nan 0.000 0.449 187 S N 3.929 119.652 115.700 0.038 0.000 2.618 187 S HA 0.722 5.191 4.470 -0.002 0.000 0.277 187 S C -1.535 173.091 174.600 0.044 0.000 1.138 187 S CA -0.552 57.670 58.200 0.038 0.000 0.844 187 S CB 2.280 65.491 63.200 0.018 0.000 1.127 187 S HN 0.604 nan 8.310 nan 0.000 0.474 188 Q N 1.501 121.334 119.800 0.054 0.000 2.327 188 Q HA 0.295 4.634 4.340 -0.002 0.000 0.265 188 Q C -1.607 174.430 176.000 0.062 0.000 0.993 188 Q CA -0.463 55.372 55.803 0.053 0.000 0.885 188 Q CB 1.398 30.172 28.738 0.060 0.000 1.379 188 Q HN 0.539 nan 8.270 nan 0.000 0.408 189 E N 4.773 124.998 120.200 0.041 0.000 2.406 189 E HA 0.169 4.518 4.350 -0.002 0.000 0.258 189 E C -1.008 175.637 176.600 0.074 0.000 1.043 189 E CA 0.447 56.873 56.400 0.043 0.000 0.929 189 E CB 0.081 29.790 29.700 0.015 0.000 0.969 189 E HN 0.647 nan 8.360 nan 0.000 0.462 190 I N 3.915 124.569 120.570 0.141 0.000 2.548 190 I HA 0.094 4.263 4.170 -0.002 0.000 0.287 190 I C -0.466 175.762 176.117 0.186 0.000 1.103 190 I CA -0.899 60.483 61.300 0.136 0.000 1.049 190 I CB 1.896 39.974 38.000 0.129 0.000 1.232 190 I HN 0.302 nan 8.210 nan 0.000 0.429 191 D N 6.752 127.204 120.400 0.086 0.000 2.365 191 D HA 0.244 4.883 4.640 -0.002 0.000 0.237 191 D C 0.947 177.259 176.300 0.020 0.000 1.190 191 D CA -0.024 54.020 54.000 0.073 0.000 0.867 191 D CB 1.226 42.023 40.800 -0.005 0.000 1.050 191 D HN 0.488 nan 8.370 nan 0.000 0.491 192 L N 3.468 124.716 121.223 0.043 0.000 2.079 192 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 192 L C 2.315 179.166 176.870 -0.030 0.000 1.081 192 L CA 1.027 55.849 54.840 -0.029 0.000 0.752 192 L CB -0.177 41.824 42.059 -0.097 0.000 0.896 192 L HN 0.410 nan 8.230 nan 0.000 0.433 193 K N -0.147 120.110 120.400 -0.238 0.000 2.211 193 K HA -0.162 4.157 4.320 -0.002 0.000 0.203 193 K C 1.964 178.241 176.600 -0.538 0.000 1.050 193 K CA 1.699 57.484 56.287 -0.838 0.000 0.945 193 K CB 0.067 32.005 32.500 -0.938 0.000 0.732 193 K HN 0.407 nan 8.250 nan 0.000 0.451 194 T N -2.569 111.835 114.554 -0.250 0.000 3.054 194 T HA -0.013 4.336 4.350 -0.002 0.000 0.259 194 T C 1.551 176.215 174.700 -0.060 0.000 1.092 194 T CA 0.643 62.651 62.100 -0.154 0.000 1.121 194 T CB 0.278 69.079 68.868 -0.112 0.000 0.912 194 T HN 0.080 nan 8.240 nan 0.000 0.489 195 V N -2.010 117.890 119.914 -0.023 0.000 3.605 195 V HA 0.571 4.690 4.120 -0.002 0.000 0.284 195 V C 0.147 176.279 176.094 0.064 0.000 1.386 195 V CA -0.454 61.849 62.300 0.004 0.000 1.053 195 V CB -0.381 31.425 31.823 -0.029 0.000 0.857 195 V HN 0.367 nan 8.190 nan 0.000 0.436 196 L N 1.108 122.421 121.223 0.150 0.000 2.424 196 L HA 0.611 4.950 4.340 -0.002 0.000 0.258 196 L C -2.712 174.406 176.870 0.413 0.000 0.995 196 L CA -1.942 53.028 54.840 0.217 0.000 0.821 196 L CB 3.060 45.228 42.059 0.182 0.000 1.383 196 L HN -0.116 nan 8.230 nan 0.000 0.410 197 P HA 0.121 nan 4.420 nan 0.000 0.274 197 P C -0.025 177.207 177.300 -0.114 0.000 1.256 197 P CA -0.230 62.996 63.100 0.210 0.000 0.795 197 P CB 0.771 32.514 31.700 0.073 0.000 1.038 198 E N -0.256 119.455 120.200 -0.814 0.000 2.147 198 E HA -0.171 4.178 4.350 -0.002 0.000 0.199 198 E C 0.239 176.530 176.600 -0.516 0.000 1.005 198 E CA 1.436 57.096 56.400 -1.235 0.000 0.810 198 E CB -0.071 28.980 29.700 -1.081 0.000 0.736 198 E HN 0.358 nan 8.360 nan 0.000 0.460 199 K N 0.654 120.883 120.400 -0.285 0.000 2.345 199 K HA 0.389 4.708 4.320 -0.002 0.000 0.255 199 K C -0.429 176.152 176.600 -0.032 0.000 0.934 199 K CA -0.544 55.640 56.287 -0.171 0.000 0.801 199 K CB 2.409 34.775 32.500 -0.223 0.000 1.137 199 K HN -0.044 nan 8.250 nan 0.000 0.424 200 V N -1.695 118.222 119.914 0.004 0.000 3.102 200 V HA 0.624 4.743 4.120 -0.002 0.000 0.312 200 V C 0.083 176.274 176.094 0.162 0.000 1.135 200 V CA -1.065 61.291 62.300 0.092 0.000 1.022 200 V CB 1.745 33.580 31.823 0.020 0.000 1.056 200 V HN 0.795 nan 8.190 nan 0.000 0.436 201 S N 1.394 117.218 115.700 0.207 0.000 2.601 201 S HA 0.770 5.239 4.470 -0.002 0.000 0.271 201 S C -0.046 174.399 174.600 -0.259 0.000 1.305 201 S CA -0.040 58.222 58.200 0.104 0.000 1.022 201 S CB 1.199 64.343 63.200 -0.094 0.000 0.940 201 S HN 2.141 nan 8.310 nan 0.000 0.525 202 V N -0.663 119.097 119.914 -0.257 0.000 2.715 202 V HA 1.041 5.160 4.120 -0.002 0.000 0.310 202 V C 0.437 176.308 176.094 -0.372 0.000 1.054 202 V CA 0.202 62.233 62.300 -0.450 0.000 0.928 202 V CB 0.823 32.447 31.823 -0.332 0.000 1.007 202 V HN 1.532 nan 8.190 nan 0.000 0.437 203 G N 2.231 110.533 108.800 -0.829 0.000 2.367 203 G HA2 0.446 4.405 3.960 -0.002 0.000 0.272 203 G HA3 0.446 4.405 3.960 -0.002 0.000 0.272 203 G C -1.865 172.350 174.900 -1.142 0.000 1.271 203 G CA -0.637 43.919 45.100 -0.908 0.000 0.893 203 G HN 0.802 nan 8.290 nan 0.000 0.485 204 F N 0.246 119.995 119.950 -0.334 0.000 2.563 204 F HA 0.816 5.342 4.527 -0.002 0.000 0.316 204 F C 0.481 176.205 175.800 -0.126 0.000 1.076 204 F CA -0.698 57.160 58.000 -0.236 0.000 0.921 204 F CB 2.684 41.420 39.000 -0.441 0.000 1.209 204 F HN 0.528 nan 8.300 nan 0.000 0.462 205 S N 1.388 117.047 115.700 -0.069 0.000 2.536 205 S HA 0.929 5.398 4.470 -0.002 0.000 0.287 205 S C -1.323 173.175 174.600 -0.169 0.000 1.101 205 S CA -0.317 57.757 58.200 -0.210 0.000 0.950 205 S CB 1.439 64.215 63.200 -0.707 0.000 1.056 205 S HN 1.014 nan 8.310 nan 0.000 0.481 206 A N 2.429 125.170 122.820 -0.131 0.000 2.549 206 A HA 0.859 5.178 4.320 -0.002 0.000 0.297 206 A C -0.371 177.130 177.584 -0.138 0.000 1.061 206 A CA -0.613 51.261 52.037 -0.272 0.000 0.690 206 A CB 1.513 20.223 19.000 -0.484 0.000 1.287 206 A HN 1.121 nan 8.150 nan 0.000 0.402 207 T N -1.149 113.335 114.554 -0.117 0.000 2.901 207 T HA 0.902 5.251 4.350 -0.002 0.000 0.293 207 T C -0.111 174.682 174.700 0.156 0.000 1.084 207 T CA -0.054 62.066 62.100 0.033 0.000 1.008 207 T CB 1.651 70.550 68.868 0.051 0.000 1.170 207 T HN 1.767 nan 8.240 nan 0.000 0.509 208 T N -1.666 112.984 114.554 0.160 0.000 2.865 208 T HA 0.635 4.984 4.350 -0.002 0.000 0.294 208 T C -0.983 173.850 174.700 0.222 0.000 1.119 208 T CA -0.941 61.257 62.100 0.163 0.000 1.007 208 T CB 2.140 71.056 68.868 0.080 0.000 1.225 208 T HN 0.885 nan 8.240 nan 0.000 0.515 209 W N 0.762 122.006 121.300 -0.092 0.000 3.400 209 W HA 0.596 5.255 4.660 -0.001 0.000 0.555 209 W C -1.243 175.189 176.519 -0.146 0.000 1.341 209 W CA -0.975 56.306 57.345 -0.107 0.000 0.877 209 W CB 1.376 30.753 29.460 -0.137 0.000 2.866 209 W HN 0.900 nan 8.180 nan 0.000 0.698 210 N N 0.906 119.296 118.700 -0.517 0.000 2.648 210 N HA 0.121 4.860 4.740 -0.002 0.000 0.272 210 N C -2.188 173.090 175.510 -0.386 0.000 1.118 210 N CA -0.773 51.996 53.050 -0.469 0.000 0.973 210 N CB 2.325 40.496 38.487 -0.528 0.000 1.565 210 N HN -0.089 nan 8.380 nan 0.000 0.542 211 P HA 0.055 nan 4.420 nan 0.000 0.235 211 P C -0.479 176.711 177.300 -0.183 0.000 1.177 211 P CA 0.559 63.558 63.100 -0.168 0.000 0.785 211 P CB 0.340 32.071 31.700 0.051 0.000 0.885 212 E N 1.765 121.966 120.200 0.002 0.000 2.376 212 E HA 0.130 4.479 4.350 -0.002 0.000 0.266 212 E C 0.838 177.421 176.600 -0.029 0.000 1.009 212 E CA 0.458 56.869 56.400 0.018 0.000 0.902 212 E CB 0.238 29.928 29.700 -0.015 0.000 0.972 212 E HN 0.324 nan 8.360 nan 0.000 0.439 213 R N 1.588 122.064 120.500 -0.041 0.000 2.733 213 R HA 0.600 4.939 4.340 -0.002 0.000 0.272 213 R C -1.181 175.100 176.300 -0.032 0.000 1.029 213 R CA -1.016 55.055 56.100 -0.049 0.000 0.888 213 R CB 1.555 31.762 30.300 -0.155 0.000 1.251 213 R HN 0.595 nan 8.270 nan 0.000 0.464 214 E N 0.890 121.027 120.200 -0.104 0.000 2.429 214 E HA 0.398 4.747 4.350 -0.002 0.000 0.280 214 E C -1.286 175.076 176.600 -0.397 0.000 1.068 214 E CA -1.251 55.030 56.400 -0.199 0.000 0.837 214 E CB 1.639 31.227 29.700 -0.186 0.000 1.357 214 E HN 0.569 nan 8.360 nan 0.000 0.455 215 R N 0.504 120.787 120.500 -0.362 0.000 2.490 215 R HA 0.386 4.725 4.340 -0.002 0.000 0.278 215 R C -0.852 175.113 176.300 -0.558 0.000 1.069 215 R CA -0.414 55.450 56.100 -0.394 0.000 1.080 215 R CB 0.469 30.614 30.300 -0.259 0.000 1.030 215 R HN 0.504 nan 8.270 nan 0.000 0.491 216 H N 0.463 119.489 119.070 -0.072 0.000 2.887 216 H HA 0.256 4.811 4.556 -0.002 0.000 0.300 216 H C -1.239 173.991 175.328 -0.163 0.000 1.038 216 H CA -0.747 55.270 56.048 -0.050 0.000 1.352 216 H CB 1.035 30.760 29.762 -0.061 0.000 1.473 216 H HN 0.332 nan 8.280 nan 0.000 0.503 217 D N 3.727 124.064 120.400 -0.105 0.000 2.303 217 D HA 0.285 4.924 4.640 -0.002 0.000 0.236 217 D C 0.145 176.137 176.300 -0.512 0.000 1.068 217 D CA -0.344 53.488 54.000 -0.280 0.000 0.830 217 D CB 2.215 42.884 40.800 -0.219 0.000 1.109 217 D HN 0.449 nan 8.370 nan 0.000 0.496 218 I N 2.405 122.688 120.570 -0.479 0.000 2.336 218 I HA 0.153 4.322 4.170 -0.002 0.000 0.292 218 I C 0.485 176.519 176.117 -0.137 0.000 0.991 218 I CA -0.616 60.437 61.300 -0.411 0.000 1.227 218 I CB 0.984 38.598 38.000 -0.643 0.000 1.366 218 I HN 0.417 nan 8.210 nan 0.000 0.466 219 Y N 3.203 123.740 120.300 0.393 0.000 2.503 219 Y HA 0.095 4.644 4.550 -0.002 0.000 0.277 219 Y C 1.195 177.412 175.900 0.527 0.000 1.102 219 Y CA -0.202 58.162 58.100 0.440 0.000 1.261 219 Y CB 0.484 39.107 38.460 0.272 0.000 1.096 219 Y HN 0.643 nan 8.280 nan 0.000 0.546 220 S N -1.794 114.322 115.700 0.694 0.000 2.565 220 S HA 0.498 4.967 4.470 -0.002 0.000 0.269 220 S C -2.016 173.044 174.600 0.767 0.000 1.153 220 S CA -0.713 57.792 58.200 0.508 0.000 0.835 220 S CB 2.200 65.623 63.200 0.371 0.000 1.122 220 S HN 0.225 nan 8.310 nan 0.000 0.462 221 W N 2.491 124.080 121.300 0.480 0.000 3.651 221 W HA 0.601 5.260 4.660 -0.002 0.000 0.322 221 W C -1.346 175.509 176.519 0.560 0.000 1.132 221 W CA -0.336 57.410 57.345 0.669 0.000 1.277 221 W CB 1.298 31.320 29.460 0.937 0.000 1.249 221 W HN 1.172 nan 8.180 nan 0.000 0.448 222 S N 4.221 120.150 115.700 0.383 0.000 2.566 222 S HA 0.899 5.368 4.470 -0.002 0.000 0.298 222 S C -1.417 173.036 174.600 -0.245 0.000 1.083 222 S CA -0.669 57.513 58.200 -0.030 0.000 0.978 222 S CB 2.779 65.981 63.200 0.004 0.000 1.073 222 S HN 0.584 nan 8.310 nan 0.000 0.491 223 F N 0.569 119.983 119.950 -0.893 0.000 2.588 223 F HA 0.580 5.106 4.527 -0.001 0.000 0.314 223 F C -1.256 174.097 175.800 -0.744 0.000 1.134 223 F CA -0.059 57.381 58.000 -0.933 0.000 0.961 223 F CB 2.062 39.989 39.000 -1.789 0.000 1.239 223 F HN 0.703 nan 8.300 nan 0.000 0.448 224 T N 3.834 117.953 114.554 -0.724 0.000 2.881 224 T HA 0.521 4.870 4.350 -0.002 0.000 0.291 224 T C -1.020 173.366 174.700 -0.523 0.000 0.990 224 T CA -0.750 61.079 62.100 -0.452 0.000 0.976 224 T CB 1.333 70.048 68.868 -0.255 0.000 0.970 224 T HN 0.638 nan 8.240 nan 0.000 0.438 225 S N 2.130 117.677 115.700 -0.254 0.000 2.536 225 S HA 0.836 5.305 4.470 -0.002 0.000 0.298 225 S C -0.644 173.984 174.600 0.048 0.000 1.083 225 S CA -0.722 57.463 58.200 -0.025 0.000 0.995 225 S CB 1.849 65.178 63.200 0.215 0.000 1.058 225 S HN 0.473 nan 8.310 nan 0.000 0.488 226 T N 3.004 117.602 114.554 0.073 0.000 2.879 226 T HA 0.564 4.913 4.350 -0.002 0.000 0.290 226 T C -1.414 173.340 174.700 0.091 0.000 0.993 226 T CA -0.458 61.677 62.100 0.059 0.000 0.975 226 T CB 1.164 70.046 68.868 0.024 0.000 0.981 226 T HN 0.684 nan 8.240 nan 0.000 0.439 227 L N 3.862 125.135 121.223 0.084 0.000 2.343 227 L HA 0.630 4.969 4.340 -0.002 0.000 0.278 227 L C -0.860 176.051 176.870 0.068 0.000 0.996 227 L CA -0.908 53.989 54.840 0.095 0.000 0.831 227 L CB 0.900 43.020 42.059 0.102 0.000 1.232 227 L HN 0.283 nan 8.230 nan 0.000 0.413 228 K N 3.212 123.652 120.400 0.067 0.000 2.395 228 K HA 0.082 4.401 4.320 -0.002 0.000 0.283 228 K C 0.875 177.507 176.600 0.052 0.000 1.068 228 K CA 0.538 56.856 56.287 0.051 0.000 1.039 228 K CB 0.143 32.671 32.500 0.046 0.000 0.924 228 K HN 0.692 nan 8.250 nan 0.000 0.468 229 E N 2.709 122.932 120.200 0.038 0.000 2.481 229 E HA 0.019 4.368 4.350 -0.002 0.000 0.195 229 E C -1.286 175.332 176.600 0.029 0.000 1.047 229 E CA -0.311 56.109 56.400 0.033 0.000 0.867 229 E CB -0.600 29.113 29.700 0.021 0.000 0.858 229 E HN 0.459 nan 8.360 nan 0.000 0.513 230 P HA 0.000 nan 4.420 nan 0.000 0.216 230 P CA 0.000 63.115 63.100 0.025 0.000 0.800 230 P CB 0.000 31.711 31.700 0.018 0.000 0.726