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 1z9t_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKLIVPQWPQ PKGVAACSST RIGGVSLPPY DSLNLGAHCG DNPDHVEENR DATA SEQUENCE KRLFAAGNLP SKPVWLEQVH GKDVLKLTGX XYASKRADAS YSNTPGTVCA DATA SEQUENCE VXTADCLPVL FCNRAGTEVA AAHAGWRGLC AGVLEETVSC FADNPENILA DATA SEQUENCE WLGPAIGPRA FEVGGEVREA FXAVDAKASA AFIQHGDKYL ADIYQLARQR DATA SEQUENCE LANVGVEQIF GGDRCTYTEN ETFFSYRRDK TTGRXASFIW LI 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 0.000 174.590 174.600 -0.016 0.000 1.055 2 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 2 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 3 K N 1.167 121.572 120.400 0.008 0.000 2.362 3 K HA 0.067 4.356 4.320 -0.052 0.000 0.200 3 K C 0.425 177.071 176.600 0.075 0.000 1.046 3 K CA 1.181 57.488 56.287 0.033 0.000 0.952 3 K CB -0.435 32.091 32.500 0.043 0.000 0.753 3 K HN 0.505 nan 8.250 nan 0.000 0.466 4 L N -3.224 118.044 121.223 0.074 0.000 2.479 4 L HA 0.559 4.867 4.340 -0.052 0.000 0.255 4 L C -0.950 175.979 176.870 0.098 0.000 1.026 4 L CA -1.077 53.835 54.840 0.121 0.000 0.842 4 L CB 1.085 43.228 42.059 0.140 0.000 1.444 4 L HN -0.252 nan 8.230 nan 0.000 0.409 5 I N 1.003 121.654 120.570 0.136 0.000 2.493 5 I HA 0.634 4.772 4.170 -0.052 0.000 0.298 5 I C -0.783 175.342 176.117 0.013 0.000 0.998 5 I CA -1.053 60.314 61.300 0.112 0.000 1.137 5 I CB 2.206 40.348 38.000 0.237 0.000 1.310 5 I HN 0.394 nan 8.210 nan 0.000 0.445 6 V N 7.233 127.113 119.914 -0.057 0.000 2.370 6 V HA 0.324 4.412 4.120 -0.052 0.000 0.283 6 V C -2.124 173.763 176.094 -0.345 0.000 1.023 6 V CA -1.754 60.436 62.300 -0.183 0.000 0.857 6 V CB 1.271 33.032 31.823 -0.104 0.000 0.985 6 V HN 0.583 nan 8.190 nan 0.000 0.443 7 P HA 0.070 nan 4.420 nan 0.000 0.264 7 P C -0.432 176.532 177.300 -0.560 0.000 1.183 7 P CA 0.142 62.450 63.100 -1.320 0.000 0.763 7 P CB 0.291 30.387 31.700 -2.673 0.000 0.807 8 Q N 3.058 122.728 119.800 -0.217 0.000 2.490 8 Q HA 0.394 4.703 4.340 -0.052 0.000 0.226 8 Q C -0.459 175.596 176.000 0.092 0.000 1.132 8 Q CA -0.431 55.382 55.803 0.017 0.000 0.928 8 Q CB -0.049 28.752 28.738 0.106 0.000 1.299 8 Q HN 0.590 nan 8.270 nan 0.000 0.528 9 W N 0.612 121.726 121.300 -0.311 0.000 3.074 9 W HA 0.613 5.244 4.660 -0.049 0.000 0.332 9 W C -3.086 173.109 176.519 -0.540 0.000 1.253 9 W CA -2.821 54.100 57.345 -0.707 0.000 1.180 9 W CB -0.158 28.832 29.460 -0.783 0.000 1.445 9 W HN 0.254 nan 8.180 nan 0.000 0.573 10 P HA 0.040 nan 4.420 nan 0.000 0.241 10 P C -0.257 176.697 177.300 -0.577 0.000 1.760 10 P CA 0.222 63.078 63.100 -0.407 0.000 1.081 10 P CB 0.073 31.601 31.700 -0.288 0.000 1.975 11 Q N 3.329 122.761 119.800 -0.614 0.000 2.274 11 Q HA 0.128 4.436 4.340 -0.052 0.000 0.280 11 Q C -1.904 173.839 176.000 -0.429 0.000 1.047 11 Q CA -1.446 53.924 55.803 -0.722 0.000 0.907 11 Q CB 0.147 28.660 28.738 -0.374 0.000 1.171 11 Q HN 0.283 nan 8.270 nan 0.000 0.381 12 P HA 0.005 nan 4.420 nan 0.000 0.267 12 P C 0.051 177.233 177.300 -0.197 0.000 1.200 12 P CA 0.268 63.215 63.100 -0.254 0.000 0.772 12 P CB 0.593 32.156 31.700 -0.228 0.000 0.855 13 K N 2.000 122.315 120.400 -0.141 0.000 2.152 13 K HA -0.106 4.183 4.320 -0.052 0.000 0.206 13 K C 2.022 178.559 176.600 -0.105 0.000 1.048 13 K CA 2.074 58.295 56.287 -0.110 0.000 0.933 13 K CB -1.663 30.790 32.500 -0.078 0.000 0.721 13 K HN 0.711 nan 8.250 nan 0.000 0.447 14 G N -0.382 108.356 108.800 -0.103 0.000 2.920 14 G HA2 0.364 4.293 3.960 -0.052 0.000 0.208 14 G HA3 0.364 4.293 3.960 -0.052 0.000 0.208 14 G C 0.033 174.862 174.900 -0.118 0.000 1.159 14 G CA 0.410 45.459 45.100 -0.085 0.000 0.784 14 G HN 0.324 nan 8.290 nan 0.000 0.535 15 V N 0.362 120.169 119.914 -0.177 0.000 2.555 15 V HA 0.784 4.872 4.120 -0.052 0.000 0.302 15 V C -0.100 175.782 176.094 -0.354 0.000 1.038 15 V CA -0.784 61.371 62.300 -0.242 0.000 0.887 15 V CB 1.550 33.239 31.823 -0.223 0.000 0.991 15 V HN 0.313 nan 8.190 nan 0.000 0.434 16 A N 3.353 125.788 122.820 -0.642 0.000 2.401 16 A HA 1.040 5.329 4.320 -0.052 0.000 0.310 16 A C -0.472 176.499 177.584 -1.021 0.000 1.075 16 A CA -0.209 51.277 52.037 -0.918 0.000 0.746 16 A CB 1.898 20.080 19.000 -1.364 0.000 1.277 16 A HN 1.664 nan 8.150 nan 0.000 0.425 17 A N 0.083 122.521 122.820 -0.637 0.000 2.589 17 A HA 0.790 5.079 4.320 -0.052 0.000 0.296 17 A C -0.526 176.941 177.584 -0.196 0.000 1.062 17 A CA 0.016 51.858 52.037 -0.326 0.000 0.686 17 A CB 0.626 19.547 19.000 -0.132 0.000 1.282 17 A HN 2.617 nan 8.150 nan 0.000 0.404 18 C N -0.679 118.631 119.300 0.016 0.000 3.311 18 C HA 0.946 5.374 4.460 -0.052 0.000 0.325 18 C C -0.514 174.636 174.990 0.267 0.000 1.352 18 C CA -0.566 58.502 59.018 0.084 0.000 1.308 18 C CB 1.110 28.956 27.740 0.175 0.000 1.619 18 C HN 1.664 nan 8.230 nan 0.000 0.469 19 S N 0.812 116.673 115.700 0.268 0.000 2.619 19 S HA 0.793 5.231 4.470 -0.052 0.000 0.280 19 S C -0.320 174.515 174.600 0.392 0.000 1.150 19 S CA 0.200 58.635 58.200 0.392 0.000 0.978 19 S CB 1.480 64.962 63.200 0.471 0.000 1.041 19 S HN 1.926 nan 8.310 nan 0.000 0.485 20 S N 2.891 118.859 115.700 0.446 0.000 2.632 20 S HA 0.767 5.205 4.470 -0.052 0.000 0.271 20 S C 0.424 175.225 174.600 0.336 0.000 1.260 20 S CA -0.251 58.174 58.200 0.375 0.000 1.010 20 S CB 1.117 64.578 63.200 0.434 0.000 0.965 20 S HN 0.921 nan 8.310 nan 0.000 0.534 21 T N -1.796 112.871 114.554 0.189 0.000 2.870 21 T HA 0.472 4.791 4.350 -0.052 0.000 0.277 21 T C 0.964 175.634 174.700 -0.051 0.000 1.000 21 T CA -0.979 61.135 62.100 0.023 0.000 0.982 21 T CB 1.001 69.767 68.868 -0.169 0.000 1.249 21 T HN 0.852 nan 8.240 nan 0.000 0.589 22 R N -0.200 120.112 120.500 -0.314 0.000 2.313 22 R HA 0.276 4.585 4.340 -0.052 0.000 0.199 22 R C 0.205 176.359 176.300 -0.243 0.000 0.958 22 R CA 0.016 55.795 56.100 -0.536 0.000 1.047 22 R CB -0.603 28.981 30.300 -1.193 0.000 0.955 22 R HN 0.592 nan 8.270 nan 0.000 0.481 23 I N 1.173 121.644 120.570 -0.166 0.000 2.472 23 I HA 0.270 4.408 4.170 -0.052 0.000 0.290 23 I C 0.841 176.932 176.117 -0.042 0.000 1.016 23 I CA 0.663 61.900 61.300 -0.105 0.000 1.348 23 I CB 1.629 39.559 38.000 -0.115 0.000 1.417 23 I HN 0.445 nan 8.210 nan 0.000 0.521 24 G N 3.506 112.288 108.800 -0.031 0.000 2.131 24 G HA2 -0.137 3.791 3.960 -0.052 0.000 0.223 24 G HA3 -0.137 3.791 3.960 -0.052 0.000 0.223 24 G C 0.220 175.114 174.900 -0.010 0.000 0.990 24 G CA -0.152 44.937 45.100 -0.018 0.000 0.671 24 G HN 1.051 nan 8.290 nan 0.000 0.521 25 G N -1.448 107.351 108.800 -0.002 0.000 2.857 25 G HA2 0.735 4.664 3.960 -0.052 0.000 0.217 25 G HA3 0.735 4.664 3.960 -0.052 0.000 0.217 25 G C 1.101 175.974 174.900 -0.045 0.000 1.357 25 G CA 0.730 45.826 45.100 -0.007 0.000 1.033 25 G HN 1.328 nan 8.290 nan 0.000 0.571 26 V N -2.970 116.889 119.914 -0.091 0.000 3.432 26 V HA 0.359 4.448 4.120 -0.052 0.000 0.298 26 V C 0.690 176.572 176.094 -0.355 0.000 1.464 26 V CA 0.136 62.301 62.300 -0.225 0.000 1.046 26 V CB 0.006 31.652 31.823 -0.294 0.000 0.887 26 V HN 0.330 nan 8.190 nan 0.000 0.441 27 S N 2.575 118.203 115.700 -0.120 0.000 2.585 27 S HA 0.607 5.045 4.470 -0.052 0.000 0.273 27 S C -0.245 174.409 174.600 0.091 0.000 1.339 27 S CA -0.210 58.008 58.200 0.029 0.000 1.028 27 S CB 1.013 64.326 63.200 0.189 0.000 0.906 27 S HN 0.290 nan 8.310 nan 0.000 0.528 28 L N 2.237 123.571 121.223 0.184 0.000 2.358 28 L HA 0.491 4.800 4.340 -0.052 0.000 0.268 28 L C -2.301 174.671 176.870 0.170 0.000 1.032 28 L CA -2.445 52.483 54.840 0.147 0.000 0.805 28 L CB -0.025 42.121 42.059 0.146 0.000 1.253 28 L HN 0.311 nan 8.230 nan 0.000 0.452 29 P HA 0.029 nan 4.420 nan 0.000 0.264 29 P C -1.998 175.274 177.300 -0.047 0.000 1.183 29 P CA -0.412 62.700 63.100 0.019 0.000 0.763 29 P CB -0.069 31.634 31.700 0.005 0.000 0.807 30 P HA 0.074 nan 4.420 nan 0.000 0.257 30 P C -0.282 176.790 177.300 -0.380 0.000 1.325 30 P CA 0.572 63.461 63.100 -0.353 0.000 0.850 30 P CB 0.061 31.467 31.700 -0.489 0.000 1.324 31 Y N 0.560 120.906 120.300 0.077 0.000 2.607 31 Y HA 0.101 4.617 4.550 -0.055 0.000 0.266 31 Y C 0.753 176.818 175.900 0.274 0.000 1.178 31 Y CA -1.085 57.050 58.100 0.057 0.000 1.226 31 Y CB -0.115 38.335 38.460 -0.017 0.000 1.144 31 Y HN -0.005 nan 8.280 nan 0.000 0.528 32 D N 0.363 120.971 120.400 0.347 0.000 2.401 32 D HA 0.002 4.610 4.640 -0.052 0.000 0.254 32 D C 0.823 177.268 176.300 0.242 0.000 1.192 32 D CA 0.427 54.575 54.000 0.246 0.000 0.885 32 D CB 1.760 42.629 40.800 0.115 0.000 1.147 32 D HN 0.315 nan 8.370 nan 0.000 0.478 33 S N 1.893 117.700 115.700 0.177 0.000 2.727 33 S HA -0.008 4.431 4.470 -0.052 0.000 0.249 33 S C 0.915 175.637 174.600 0.204 0.000 1.079 33 S CA -0.486 57.811 58.200 0.161 0.000 0.912 33 S CB -0.063 63.163 63.200 0.043 0.000 0.861 33 S HN 0.268 nan 8.310 nan 0.000 0.484 34 L N 4.040 125.395 121.223 0.221 0.000 2.796 34 L HA 0.501 4.809 4.340 -0.052 0.000 0.235 34 L C -0.272 176.828 176.870 0.385 0.000 1.344 34 L CA -0.234 54.734 54.840 0.212 0.000 1.245 34 L CB -0.725 41.411 42.059 0.129 0.000 1.556 34 L HN 0.284 nan 8.230 nan 0.000 0.423 35 N N 0.867 119.774 118.700 0.344 0.000 2.431 35 N HA 0.063 4.772 4.740 -0.052 0.000 0.265 35 N C 0.587 176.132 175.510 0.058 0.000 1.184 35 N CA 0.235 53.380 53.050 0.158 0.000 0.943 35 N CB 0.634 39.112 38.487 -0.015 0.000 1.080 35 N HN 0.491 nan 8.380 nan 0.000 0.477 36 L N 1.709 122.975 121.223 0.071 0.000 2.567 36 L HA 0.333 4.642 4.340 -0.052 0.000 0.225 36 L C 1.288 178.072 176.870 -0.142 0.000 1.119 36 L CA -0.319 54.536 54.840 0.024 0.000 0.871 36 L CB -0.167 42.002 42.059 0.183 0.000 1.036 36 L HN 0.523 nan 8.230 nan 0.000 0.459 37 G N -0.327 108.367 108.800 -0.176 0.000 2.339 37 G HA2 0.421 4.349 3.960 -0.052 0.000 0.287 37 G HA3 0.421 4.349 3.960 -0.052 0.000 0.287 37 G C 0.600 175.324 174.900 -0.293 0.000 1.163 37 G CA 0.135 45.088 45.100 -0.245 0.000 0.872 37 G HN 0.191 nan 8.290 nan 0.000 0.464 38 A N 2.330 124.917 122.820 -0.388 0.000 2.308 38 A HA 0.230 4.518 4.320 -0.052 0.000 0.217 38 A C 0.887 178.016 177.584 -0.758 0.000 1.216 38 A CA 0.160 51.870 52.037 -0.545 0.000 0.864 38 A CB 0.088 18.722 19.000 -0.610 0.000 0.902 38 A HN 0.690 nan 8.150 nan 0.000 0.499 39 H N -1.440 117.539 119.070 -0.150 0.000 2.562 39 H HA 0.227 4.752 4.556 -0.052 0.000 0.249 39 H C -0.131 175.154 175.328 -0.072 0.000 1.195 39 H CA -0.158 55.828 56.048 -0.103 0.000 0.938 39 H CB 0.026 29.732 29.762 -0.094 0.000 1.891 39 H HN 0.461 nan 8.280 nan 0.000 0.595 40 C N -0.913 118.357 119.300 -0.049 0.000 3.386 40 C HA 0.481 4.910 4.460 -0.052 0.000 0.279 40 C C 1.792 176.814 174.990 0.052 0.000 1.508 40 C CA 0.167 59.206 59.018 0.035 0.000 1.801 40 C CB -0.071 27.712 27.740 0.071 0.000 2.798 40 C HN 0.790 nan 8.230 nan 0.000 0.605 41 G N 1.540 110.292 108.800 -0.081 0.000 2.176 41 G HA2 -0.184 3.744 3.960 -0.052 0.000 0.232 41 G HA3 -0.184 3.744 3.960 -0.052 0.000 0.232 41 G C -0.303 174.447 174.900 -0.249 0.000 0.986 41 G CA 0.352 45.424 45.100 -0.047 0.000 0.643 41 G HN 0.491 nan 8.290 nan 0.000 0.522 42 D N 0.405 120.397 120.400 -0.680 0.000 2.377 42 D HA 0.313 4.922 4.640 -0.052 0.000 0.245 42 D C 0.687 176.754 176.300 -0.389 0.000 1.196 42 D CA -0.575 52.884 54.000 -0.902 0.000 0.962 42 D CB 0.380 40.450 40.800 -1.218 0.000 1.127 42 D HN 0.082 nan 8.370 nan 0.000 0.471 43 N N 1.427 119.951 118.700 -0.293 0.000 2.434 43 N HA -0.004 4.705 4.740 -0.052 0.000 0.268 43 N C -1.789 173.568 175.510 -0.255 0.000 1.256 43 N CA -1.108 51.769 53.050 -0.289 0.000 0.914 43 N CB 1.015 39.207 38.487 -0.492 0.000 1.088 43 N HN 0.227 nan 8.380 nan 0.000 0.478 44 P HA -0.074 nan 4.420 nan 0.000 0.221 44 P C 0.353 177.581 177.300 -0.120 0.000 1.150 44 P CA 0.868 63.867 63.100 -0.167 0.000 0.800 44 P CB 0.486 32.100 31.700 -0.143 0.000 0.787 45 D N -0.622 119.700 120.400 -0.131 0.000 2.144 45 D HA -0.162 4.446 4.640 -0.052 0.000 0.199 45 D C 2.022 178.347 176.300 0.042 0.000 0.984 45 D CA 1.163 55.127 54.000 -0.061 0.000 0.834 45 D CB -0.915 39.840 40.800 -0.075 0.000 0.955 45 D HN 0.442 nan 8.370 nan 0.000 0.465 46 H N -0.345 118.685 119.070 -0.068 0.000 2.357 46 H HA -0.037 4.491 4.556 -0.047 0.000 0.301 46 H C 2.224 177.507 175.328 -0.075 0.000 1.082 46 H CA 0.637 56.649 56.048 -0.059 0.000 1.342 46 H CB 0.287 30.018 29.762 -0.050 0.000 1.389 46 H HN -0.043 nan 8.280 nan 0.000 0.511 47 V N 1.032 120.955 119.914 0.015 0.000 2.343 47 V HA -0.264 3.824 4.120 -0.052 0.000 0.247 47 V C 2.327 178.385 176.094 -0.060 0.000 1.051 47 V CA 2.131 64.396 62.300 -0.058 0.000 1.036 47 V CB -0.468 31.269 31.823 -0.143 0.000 0.654 47 V HN 0.477 nan 8.190 nan 0.000 0.451 48 E N 0.336 120.506 120.200 -0.050 0.000 2.058 48 E HA -0.318 4.000 4.350 -0.052 0.000 0.194 48 E C 2.173 178.734 176.600 -0.065 0.000 0.997 48 E CA 1.754 58.124 56.400 -0.049 0.000 0.801 48 E CB -0.124 29.559 29.700 -0.028 0.000 0.746 48 E HN 0.625 nan 8.360 nan 0.000 0.450 49 E N 0.768 120.950 120.200 -0.031 0.000 2.077 49 E HA -0.201 4.117 4.350 -0.052 0.000 0.193 49 E C 1.728 178.284 176.600 -0.073 0.000 0.989 49 E CA 1.796 58.174 56.400 -0.037 0.000 0.800 49 E CB -0.206 29.493 29.700 -0.002 0.000 0.746 49 E HN 0.284 nan 8.360 nan 0.000 0.452 50 N N 0.445 119.108 118.700 -0.062 0.000 2.084 50 N HA -0.134 4.574 4.740 -0.052 0.000 0.190 50 N C 1.829 177.244 175.510 -0.159 0.000 1.030 50 N CA 1.332 54.345 53.050 -0.062 0.000 0.849 50 N CB -0.338 38.147 38.487 -0.003 0.000 1.012 50 N HN 0.211 nan 8.380 nan 0.000 0.423 51 R N 1.109 121.454 120.500 -0.258 0.000 2.081 51 R HA -0.019 4.290 4.340 -0.052 0.000 0.235 51 R C 2.118 177.882 176.300 -0.894 0.000 1.131 51 R CA 1.144 56.833 56.100 -0.685 0.000 0.960 51 R CB -0.098 29.836 30.300 -0.609 0.000 0.856 51 R HN 0.297 nan 8.270 nan 0.000 0.436 52 K N 0.253 120.402 120.400 -0.419 0.000 2.026 52 K HA -0.141 4.147 4.320 -0.052 0.000 0.208 52 K C 2.213 178.721 176.600 -0.153 0.000 1.048 52 K CA 1.351 57.502 56.287 -0.227 0.000 0.929 52 K CB -0.103 32.341 32.500 -0.093 0.000 0.713 52 K HN 0.138 nan 8.250 nan 0.000 0.439 53 R N 0.657 121.078 120.500 -0.132 0.000 2.073 53 R HA -0.090 4.218 4.340 -0.052 0.000 0.234 53 R C 2.371 178.642 176.300 -0.048 0.000 1.134 53 R CA 1.069 57.129 56.100 -0.066 0.000 0.952 53 R CB -0.371 29.901 30.300 -0.047 0.000 0.850 53 R HN 0.187 nan 8.270 nan 0.000 0.433 54 L N 0.265 121.436 121.223 -0.086 0.000 2.056 54 L HA -0.117 4.192 4.340 -0.052 0.000 0.207 54 L C 1.892 178.803 176.870 0.068 0.000 1.078 54 L CA 1.839 56.679 54.840 0.000 0.000 0.749 54 L CB -0.535 41.552 42.059 0.047 0.000 0.901 54 L HN 0.102 nan 8.230 nan 0.000 0.433 55 F N 0.718 120.603 119.950 -0.108 0.000 2.171 55 F HA -0.083 4.413 4.527 -0.051 0.000 0.300 55 F C 2.767 178.480 175.800 -0.145 0.000 1.090 55 F CA 0.719 58.600 58.000 -0.198 0.000 1.293 55 F CB -1.666 37.233 39.000 -0.167 0.000 1.013 55 F HN 0.159 nan 8.300 nan 0.000 0.486 56 A N 0.147 123.024 122.820 0.094 0.000 1.873 56 A HA 0.012 4.300 4.320 -0.052 0.000 0.215 56 A C 2.503 180.107 177.584 0.033 0.000 1.186 56 A CA 1.793 53.854 52.037 0.041 0.000 0.616 56 A CB -1.224 17.790 19.000 0.023 0.000 0.823 56 A HN 0.265 nan 8.150 nan 0.000 0.442 57 A N -0.619 122.221 122.820 0.035 0.000 1.933 57 A HA 0.119 4.408 4.320 -0.052 0.000 0.218 57 A C 2.246 179.864 177.584 0.056 0.000 1.175 57 A CA 1.830 53.890 52.037 0.039 0.000 0.628 57 A CB -1.158 17.865 19.000 0.038 0.000 0.814 57 A HN 0.809 nan 8.150 nan 0.000 0.444 58 G N -1.371 107.465 108.800 0.059 0.000 2.920 58 G HA2 0.112 4.041 3.960 -0.052 0.000 0.208 58 G HA3 0.112 4.041 3.960 -0.052 0.000 0.208 58 G C 0.414 175.406 174.900 0.153 0.000 1.159 58 G CA 0.446 45.611 45.100 0.108 0.000 0.784 58 G HN 0.483 nan 8.290 nan 0.000 0.535 59 N N -0.953 117.786 118.700 0.066 0.000 2.735 59 N HA -0.129 4.579 4.740 -0.052 0.000 0.248 59 N C -0.239 175.238 175.510 -0.056 0.000 1.083 59 N CA 0.384 53.466 53.050 0.053 0.000 0.703 59 N CB -1.303 37.261 38.487 0.129 0.000 1.005 59 N HN 0.200 nan 8.380 nan 0.000 0.550 60 L N 1.650 122.687 121.223 -0.310 0.000 2.499 60 L HA 0.073 4.381 4.340 -0.052 0.000 0.273 60 L C -0.158 176.370 176.870 -0.569 0.000 1.195 60 L CA -0.391 53.973 54.840 -0.794 0.000 0.882 60 L CB 0.107 41.632 42.059 -0.889 0.000 1.133 60 L HN 0.081 nan 8.230 nan 0.000 0.483 61 P HA 0.005 nan 4.420 nan 0.000 0.231 61 P C -0.237 176.862 177.300 -0.335 0.000 1.168 61 P CA 0.509 63.377 63.100 -0.385 0.000 0.779 61 P CB 0.469 31.972 31.700 -0.327 0.000 0.844 62 S N -2.149 113.283 115.700 -0.447 0.000 2.643 62 S HA 0.452 4.890 4.470 -0.052 0.000 0.270 62 S C -0.754 173.563 174.600 -0.472 0.000 1.166 62 S CA -1.062 56.930 58.200 -0.346 0.000 0.815 62 S CB 1.616 64.664 63.200 -0.254 0.000 1.139 62 S HN -0.204 nan 8.310 nan 0.000 0.472 63 K N 1.638 121.811 120.400 -0.378 0.000 2.295 63 K HA 0.373 4.661 4.320 -0.052 0.000 0.270 63 K C -2.393 173.881 176.600 -0.543 0.000 1.011 63 K CA -1.527 54.455 56.287 -0.509 0.000 0.953 63 K CB 0.021 32.389 32.500 -0.221 0.000 0.956 63 K HN 0.448 nan 8.250 nan 0.000 0.477 64 P HA -0.010 nan 4.420 nan 0.000 0.271 64 P C -0.469 176.472 177.300 -0.598 0.000 1.218 64 P CA -0.253 62.418 63.100 -0.715 0.000 0.780 64 P CB 0.516 31.588 31.700 -1.047 0.000 0.901 65 V N 3.408 123.102 119.914 -0.367 0.000 2.223 65 V HA 0.052 4.140 4.120 -0.052 0.000 0.249 65 V C 0.415 176.428 176.094 -0.134 0.000 1.233 65 V CA -0.395 61.791 62.300 -0.190 0.000 1.131 65 V CB -1.701 30.052 31.823 -0.117 0.000 1.298 65 V HN 0.512 nan 8.190 nan 0.000 0.498 66 W N 3.972 125.281 121.300 0.014 0.000 2.170 66 W HA 0.411 5.038 4.660 -0.055 0.000 0.342 66 W C 0.265 176.762 176.519 -0.036 0.000 1.294 66 W CA -0.539 56.809 57.345 0.005 0.000 1.246 66 W CB 0.385 29.874 29.460 0.048 0.000 1.156 66 W HN 0.327 nan 8.180 nan 0.000 0.572 67 L N 1.522 122.886 121.223 0.235 0.000 2.334 67 L HA 0.301 4.609 4.340 -0.052 0.000 0.270 67 L C 0.371 177.264 176.870 0.038 0.000 1.018 67 L CA -1.098 53.787 54.840 0.075 0.000 0.811 67 L CB 1.284 43.357 42.059 0.023 0.000 1.271 67 L HN 0.409 nan 8.230 nan 0.000 0.443 68 E N 2.146 122.345 120.200 -0.002 0.000 1.861 68 E HA 0.094 4.413 4.350 -0.052 0.000 0.263 68 E C -0.835 175.736 176.600 -0.049 0.000 1.137 68 E CA -0.362 56.018 56.400 -0.035 0.000 0.944 68 E CB 0.410 30.092 29.700 -0.030 0.000 1.092 68 E HN 0.459 nan 8.360 nan 0.000 0.420 69 Q N 1.754 121.501 119.800 -0.089 0.000 2.297 69 Q HA 0.115 4.423 4.340 -0.052 0.000 0.267 69 Q C 0.569 176.530 176.000 -0.064 0.000 1.006 69 Q CA -0.150 55.577 55.803 -0.127 0.000 0.896 69 Q CB 1.487 30.013 28.738 -0.352 0.000 1.186 69 Q HN 0.504 nan 8.270 nan 0.000 0.392 70 V N -0.859 119.048 119.914 -0.012 0.000 3.166 70 V HA 0.138 4.226 4.120 -0.052 0.000 0.332 70 V C 0.160 176.332 176.094 0.131 0.000 1.434 70 V CA -0.451 61.881 62.300 0.053 0.000 1.121 70 V CB -0.391 31.443 31.823 0.018 0.000 1.062 70 V HN 1.029 nan 8.190 nan 0.000 0.489 71 H N -0.167 118.927 119.070 0.041 0.000 2.820 71 H HA -0.161 4.363 4.556 -0.053 0.000 0.295 71 H C 0.974 176.247 175.328 -0.091 0.000 1.187 71 H CA 0.938 56.963 56.048 -0.039 0.000 1.144 71 H CB -1.204 28.480 29.762 -0.130 0.000 1.354 71 H HN 0.807 nan 8.280 nan 0.000 0.395 72 G N 0.261 109.067 108.800 0.011 0.000 2.702 72 G HA2 0.452 4.381 3.960 -0.052 0.000 0.254 72 G HA3 0.452 4.381 3.960 -0.052 0.000 0.254 72 G C 0.802 175.694 174.900 -0.014 0.000 1.380 72 G CA -0.082 45.010 45.100 -0.013 0.000 1.042 72 G HN 0.240 nan 8.290 nan 0.000 0.557 73 K N -0.666 119.728 120.400 -0.009 0.000 2.438 73 K HA 0.267 4.555 4.320 -0.052 0.000 0.205 73 K C -0.832 175.774 176.600 0.010 0.000 1.033 73 K CA -0.370 55.918 56.287 0.001 0.000 1.089 73 K CB 0.614 33.111 32.500 -0.005 0.000 0.857 73 K HN 0.160 nan 8.250 nan 0.000 0.522 74 D N 1.809 122.214 120.400 0.008 0.000 2.304 74 D HA 0.167 4.776 4.640 -0.052 0.000 0.247 74 D C -0.425 175.884 176.300 0.016 0.000 1.089 74 D CA -0.289 53.715 54.000 0.008 0.000 0.910 74 D CB 2.186 42.987 40.800 0.002 0.000 1.199 74 D HN -0.121 nan 8.370 nan 0.000 0.426 75 V N 2.438 122.359 119.914 0.013 0.000 2.459 75 V HA 0.232 4.321 4.120 -0.052 0.000 0.295 75 V C -0.139 175.961 176.094 0.010 0.000 1.029 75 V CA -0.951 61.362 62.300 0.022 0.000 0.874 75 V CB 1.765 33.601 31.823 0.021 0.000 0.985 75 V HN 0.306 nan 8.190 nan 0.000 0.438 76 L N 5.521 126.744 121.223 0.001 0.000 2.264 76 L HA 0.472 4.781 4.340 -0.052 0.000 0.289 76 L C 0.149 177.031 176.870 0.019 0.000 1.044 76 L CA 0.038 54.860 54.840 -0.031 0.000 0.807 76 L CB 0.716 42.693 42.059 -0.137 0.000 1.192 76 L HN 0.549 nan 8.230 nan 0.000 0.425 77 K N 6.141 126.579 120.400 0.064 0.000 2.312 77 K HA 0.297 4.585 4.320 -0.052 0.000 0.287 77 K C -0.531 176.167 176.600 0.164 0.000 1.062 77 K CA -0.183 56.194 56.287 0.151 0.000 0.934 77 K CB 0.671 33.247 32.500 0.127 0.000 1.027 77 K HN 0.617 nan 8.250 nan 0.000 0.478 78 L N 4.621 125.932 121.223 0.147 0.000 2.384 78 L HA 0.031 4.340 4.340 -0.052 0.000 0.258 78 L C 1.315 178.318 176.870 0.222 0.000 1.266 78 L CA -0.111 54.831 54.840 0.170 0.000 1.162 78 L CB -0.539 41.558 42.059 0.064 0.000 1.375 78 L HN 0.813 nan 8.230 nan 0.000 0.420 79 T N -2.556 112.177 114.554 0.299 0.000 3.113 79 T HA 0.354 4.673 4.350 -0.052 0.000 0.256 79 T C 0.941 175.664 174.700 0.038 0.000 1.131 79 T CA 0.294 62.479 62.100 0.143 0.000 1.074 79 T CB 0.444 69.381 68.868 0.115 0.000 0.944 79 T HN 0.665 nan 8.240 nan 0.000 0.516 84 A N 1.145 124.062 122.820 0.161 0.000 1.940 84 A HA 0.108 4.396 4.320 -0.052 0.000 0.219 84 A C 0.862 178.503 177.584 0.095 0.000 1.176 84 A CA 2.194 54.289 52.037 0.097 0.000 0.631 84 A CB -0.182 18.863 19.000 0.074 0.000 0.814 84 A HN 0.664 nan 8.150 nan 0.000 0.446 85 S N -2.426 113.345 115.700 0.118 0.000 2.542 85 S HA 0.456 4.895 4.470 -0.052 0.000 0.276 85 S C -0.636 173.992 174.600 0.045 0.000 1.148 85 S CA -0.706 57.536 58.200 0.070 0.000 0.886 85 S CB 1.078 64.303 63.200 0.041 0.000 1.109 85 S HN 0.244 nan 8.310 nan 0.000 0.458 86 K N 2.063 122.472 120.400 0.014 0.000 2.514 86 K HA 0.189 4.478 4.320 -0.052 0.000 0.207 86 K C 0.305 176.888 176.600 -0.028 0.000 1.035 86 K CA -0.281 55.979 56.287 -0.046 0.000 1.113 86 K CB 0.422 32.898 32.500 -0.041 0.000 0.846 86 K HN 0.416 nan 8.250 nan 0.000 0.491 87 R N 1.851 122.343 120.500 -0.013 0.000 2.351 87 R HA 0.259 4.567 4.340 -0.052 0.000 0.321 87 R C -1.062 175.230 176.300 -0.012 0.000 1.182 87 R CA 0.098 56.191 56.100 -0.012 0.000 1.011 87 R CB 0.165 30.462 30.300 -0.006 0.000 1.048 87 R HN 0.161 nan 8.270 nan 0.000 0.490 88 A N 3.378 126.189 122.820 -0.014 0.000 2.586 88 A HA 0.255 4.544 4.320 -0.052 0.000 0.291 88 A C -1.209 176.378 177.584 0.004 0.000 1.062 88 A CA -0.852 51.181 52.037 -0.006 0.000 0.666 88 A CB 1.494 20.485 19.000 -0.014 0.000 1.281 88 A HN 0.689 nan 8.150 nan 0.000 0.421 89 D N -0.158 120.260 120.400 0.029 0.000 2.479 89 D HA 0.530 5.138 4.640 -0.052 0.000 0.218 89 D C 0.043 176.404 176.300 0.101 0.000 1.177 89 D CA 1.133 55.174 54.000 0.070 0.000 0.830 89 D CB 1.213 42.071 40.800 0.096 0.000 1.014 89 D HN 0.943 nan 8.370 nan 0.000 0.503 90 A N 0.248 123.117 122.820 0.081 0.000 2.612 90 A HA 0.745 5.033 4.320 -0.052 0.000 0.293 90 A C -0.933 176.702 177.584 0.085 0.000 1.075 90 A CA -0.697 51.408 52.037 0.114 0.000 0.680 90 A CB 1.402 20.485 19.000 0.138 0.000 1.279 90 A HN 0.053 nan 8.150 nan 0.000 0.411 91 S N -0.210 115.556 115.700 0.110 0.000 2.595 91 S HA 0.820 5.259 4.470 -0.052 0.000 0.281 91 S C -1.163 173.527 174.600 0.150 0.000 1.117 91 S CA -0.615 57.637 58.200 0.087 0.000 0.873 91 S CB 1.571 64.784 63.200 0.021 0.000 1.108 91 S HN 1.783 nan 8.310 nan 0.000 0.477 92 Y N 0.615 120.906 120.300 -0.016 0.000 2.457 92 Y HA 0.721 5.239 4.550 -0.052 0.000 0.343 92 Y C -0.810 175.053 175.900 -0.062 0.000 0.994 92 Y CA -0.295 57.765 58.100 -0.067 0.000 1.031 92 Y CB 2.067 40.440 38.460 -0.146 0.000 1.246 92 Y HN 0.978 nan 8.280 nan 0.000 0.449 93 S N 3.453 118.648 115.700 -0.843 0.000 2.541 93 S HA 0.371 4.810 4.470 -0.052 0.000 0.280 93 S C -0.918 173.219 174.600 -0.772 0.000 1.112 93 S CA -0.690 57.162 58.200 -0.579 0.000 0.925 93 S CB 0.703 63.770 63.200 -0.222 0.000 1.067 93 S HN 0.850 nan 8.310 nan 0.000 0.479 94 N N 1.530 119.983 118.700 -0.413 0.000 2.291 94 N HA 0.175 4.884 4.740 -0.052 0.000 0.244 94 N C -0.831 174.624 175.510 -0.092 0.000 1.216 94 N CA -0.309 52.606 53.050 -0.224 0.000 0.879 94 N CB 0.586 39.019 38.487 -0.089 0.000 1.167 94 N HN 0.342 nan 8.380 nan 0.000 0.515 95 T N 2.290 116.797 114.554 -0.078 0.000 2.770 95 T HA 0.420 4.738 4.350 -0.052 0.000 0.283 95 T C -2.792 171.903 174.700 -0.008 0.000 0.988 95 T CA -1.281 60.802 62.100 -0.028 0.000 0.957 95 T CB 1.907 70.766 68.868 -0.014 0.000 0.930 95 T HN -0.001 nan 8.240 nan 0.000 0.443 96 P HA 0.204 nan 4.420 nan 0.000 0.264 96 P C 1.107 178.426 177.300 0.031 0.000 1.183 96 P CA 0.950 64.071 63.100 0.035 0.000 0.763 96 P CB 0.309 32.025 31.700 0.026 0.000 0.807 97 G N 1.617 110.456 108.800 0.066 0.000 2.199 97 G HA2 -0.219 3.709 3.960 -0.052 0.000 0.254 97 G HA3 -0.219 3.709 3.960 -0.052 0.000 0.254 97 G C 0.279 175.132 174.900 -0.077 0.000 0.982 97 G CA 0.074 45.165 45.100 -0.015 0.000 0.632 97 G HN 0.600 nan 8.290 nan 0.000 0.529 98 T N 1.249 115.793 114.554 -0.016 0.000 2.780 98 T HA 0.513 4.832 4.350 -0.052 0.000 0.294 98 T C 0.260 174.954 174.700 -0.011 0.000 0.949 98 T CA -0.158 61.919 62.100 -0.038 0.000 1.074 98 T CB 2.155 71.016 68.868 -0.012 0.000 0.910 98 T HN 0.397 nan 8.240 nan 0.000 0.501 99 V N 4.021 123.877 119.914 -0.097 0.000 2.350 99 V HA 0.209 4.298 4.120 -0.052 0.000 0.276 99 V C 0.411 176.493 176.094 -0.019 0.000 1.028 99 V CA -0.925 61.346 62.300 -0.048 0.000 0.860 99 V CB 0.656 32.302 31.823 -0.295 0.000 0.990 99 V HN 1.025 nan 8.190 nan 0.000 0.453 100 C N 5.062 124.414 119.300 0.086 0.000 2.514 100 C HA 0.795 5.223 4.460 -0.052 0.000 0.392 100 C C 0.751 175.767 174.990 0.044 0.000 1.294 100 C CA -0.313 58.737 59.018 0.054 0.000 1.957 100 C CB -0.317 27.485 27.740 0.104 0.000 2.541 100 C HN 1.011 nan 8.230 nan 0.000 0.569 101 A N 3.187 125.967 122.820 -0.066 0.000 2.520 101 A HA 0.871 5.160 4.320 -0.052 0.000 0.298 101 A C -0.520 177.040 177.584 -0.041 0.000 1.051 101 A CA -0.371 51.541 52.037 -0.207 0.000 0.690 101 A CB 1.130 19.804 19.000 -0.542 0.000 1.281 101 A HN 1.383 nan 8.150 nan 0.000 0.402 105 A N 1.221 124.137 122.820 0.159 0.000 3.455 105 A HA 0.686 4.974 4.320 -0.052 0.000 0.225 105 A C 0.178 177.870 177.584 0.180 0.000 1.052 105 A CA 0.085 52.249 52.037 0.211 0.000 1.005 105 A CB -0.528 18.625 19.000 0.255 0.000 1.318 105 A HN 0.878 nan 8.150 nan 0.000 0.639 106 D N -1.605 118.845 120.400 0.083 0.000 2.663 106 D HA -0.115 4.493 4.640 -0.052 0.000 0.229 106 D C 0.180 176.414 176.300 -0.109 0.000 0.497 106 D CA 0.843 54.842 54.000 -0.002 0.000 0.890 106 D CB -1.204 39.633 40.800 0.062 0.000 1.523 106 D HN 0.490 nan 8.370 nan 0.000 0.688 107 C N 2.146 121.422 119.300 -0.040 0.000 2.662 107 C HA 0.461 4.889 4.460 -0.052 0.000 0.420 107 C C 0.858 175.770 174.990 -0.131 0.000 1.314 107 C CA -0.616 58.334 59.018 -0.114 0.000 1.963 107 C CB -0.352 27.313 27.740 -0.124 0.000 2.686 107 C HN 0.356 nan 8.230 nan 0.000 0.609 108 L N 6.895 128.002 121.223 -0.192 0.000 2.433 108 L HA 0.319 4.627 4.340 -0.052 0.000 0.275 108 L C -2.182 174.633 176.870 -0.092 0.000 1.128 108 L CA -0.898 53.837 54.840 -0.175 0.000 0.875 108 L CB 0.103 42.042 42.059 -0.199 0.000 1.171 108 L HN 0.456 nan 8.230 nan 0.000 0.463 109 P HA 0.284 nan 4.420 nan 0.000 0.290 109 P C -1.401 175.856 177.300 -0.070 0.000 1.276 109 P CA -0.322 62.773 63.100 -0.008 0.000 0.808 109 P CB 1.510 33.228 31.700 0.030 0.000 0.966 110 V N 4.544 124.447 119.914 -0.018 0.000 2.487 110 V HA 0.376 4.465 4.120 -0.052 0.000 0.298 110 V C 0.132 176.180 176.094 -0.077 0.000 1.028 110 V CA -0.617 61.598 62.300 -0.142 0.000 0.860 110 V CB 1.546 33.224 31.823 -0.241 0.000 0.991 110 V HN 0.374 nan 8.190 nan 0.000 0.427 111 L N 4.979 126.172 121.223 -0.050 0.000 2.309 111 L HA 0.672 4.981 4.340 -0.052 0.000 0.282 111 L C -1.001 175.919 176.870 0.083 0.000 1.036 111 L CA -0.207 54.707 54.840 0.124 0.000 0.806 111 L CB 1.494 43.654 42.059 0.168 0.000 1.220 111 L HN 0.471 nan 8.230 nan 0.000 0.429 112 F N 1.509 121.729 119.950 0.450 0.000 2.563 112 F HA 0.673 5.169 4.527 -0.051 0.000 0.316 112 F C 0.151 176.226 175.800 0.458 0.000 1.076 112 F CA -0.670 57.597 58.000 0.444 0.000 0.921 112 F CB 2.000 41.193 39.000 0.321 0.000 1.209 112 F HN 0.555 nan 8.300 nan 0.000 0.462 113 C N 0.513 120.089 119.300 0.460 0.000 3.318 113 C HA 0.707 5.136 4.460 -0.052 0.000 0.322 113 C C -1.229 173.856 174.990 0.158 0.000 1.398 113 C CA -1.154 58.048 59.018 0.307 0.000 1.339 113 C CB 1.325 29.084 27.740 0.032 0.000 1.668 113 C HN 0.871 nan 8.230 nan 0.000 0.462 114 N N 0.782 119.607 118.700 0.209 0.000 2.495 114 N HA 0.355 5.064 4.740 -0.052 0.000 0.280 114 N C 0.532 176.030 175.510 -0.020 0.000 1.168 114 N CA -0.658 52.450 53.050 0.097 0.000 0.978 114 N CB 0.663 39.265 38.487 0.192 0.000 1.191 114 N HN 0.837 nan 8.380 nan 0.000 0.497 115 R N 0.429 120.907 120.500 -0.037 0.000 2.127 115 R HA -0.096 4.213 4.340 -0.052 0.000 0.238 115 R C 1.617 177.875 176.300 -0.069 0.000 1.134 115 R CA 1.818 57.870 56.100 -0.080 0.000 0.975 115 R CB -0.484 29.788 30.300 -0.047 0.000 0.865 115 R HN 0.765 nan 8.270 nan 0.000 0.447 116 A N 0.276 123.081 122.820 -0.025 0.000 2.119 116 A HA 0.128 4.416 4.320 -0.052 0.000 0.217 116 A C 1.361 178.927 177.584 -0.030 0.000 1.153 116 A CA 0.828 52.853 52.037 -0.020 0.000 0.692 116 A CB -0.236 18.769 19.000 0.008 0.000 0.799 116 A HN 0.442 nan 8.150 nan 0.000 0.458 117 G N -0.599 108.180 108.800 -0.036 0.000 2.289 117 G HA2 -0.217 3.711 3.960 -0.052 0.000 0.280 117 G HA3 -0.217 3.711 3.960 -0.052 0.000 0.280 117 G C 0.553 175.440 174.900 -0.022 0.000 1.089 117 G CA 1.228 46.298 45.100 -0.050 0.000 0.939 117 G HN 1.406 nan 8.290 nan 0.000 0.499 118 T N -3.762 110.798 114.554 0.011 0.000 3.058 118 T HA 0.508 4.827 4.350 -0.052 0.000 0.278 118 T C 0.280 174.973 174.700 -0.011 0.000 0.974 118 T CA 0.729 62.833 62.100 0.007 0.000 0.893 118 T CB 0.623 69.504 68.868 0.022 0.000 1.138 118 T HN 0.701 nan 8.240 nan 0.000 0.529 119 E N 0.987 121.194 120.200 0.012 0.000 2.343 119 E HA 0.625 4.944 4.350 -0.052 0.000 0.278 119 E C -1.302 175.306 176.600 0.013 0.000 0.910 119 E CA -1.317 55.013 56.400 -0.118 0.000 0.757 119 E CB 2.948 32.580 29.700 -0.113 0.000 1.218 119 E HN 0.232 nan 8.360 nan 0.000 0.435 120 V N -1.911 117.887 119.914 -0.192 0.000 3.159 120 V HA 1.026 5.114 4.120 -0.052 0.000 0.308 120 V C -1.102 175.023 176.094 0.052 0.000 1.190 120 V CA -0.673 61.692 62.300 0.108 0.000 1.037 120 V CB 1.583 33.466 31.823 0.101 0.000 1.060 120 V HN 1.032 nan 8.190 nan 0.000 0.437 121 A N 1.071 124.136 122.820 0.409 0.000 2.608 121 A HA 1.060 5.348 4.320 -0.052 0.000 0.292 121 A C -0.639 177.253 177.584 0.512 0.000 1.066 121 A CA -0.324 51.956 52.037 0.406 0.000 0.676 121 A CB 1.434 20.745 19.000 0.517 0.000 1.277 121 A HN 2.675 nan 8.150 nan 0.000 0.413 122 A N -0.034 123.018 122.820 0.387 0.000 2.398 122 A HA 0.931 5.219 4.320 -0.052 0.000 0.301 122 A C -0.308 177.465 177.584 0.314 0.000 1.041 122 A CA 0.128 52.366 52.037 0.335 0.000 0.711 122 A CB 1.250 20.371 19.000 0.202 0.000 1.240 122 A HN 2.520 nan 8.150 nan 0.000 0.420 123 A N 1.601 124.619 122.820 0.330 0.000 2.386 123 A HA 0.707 4.995 4.320 -0.052 0.000 0.311 123 A C -0.772 176.934 177.584 0.204 0.000 1.068 123 A CA -0.451 51.751 52.037 0.275 0.000 0.743 123 A CB 0.861 20.079 19.000 0.363 0.000 1.258 123 A HN 1.029 nan 8.150 nan 0.000 0.429 124 H N 2.296 121.394 119.070 0.047 0.000 2.661 124 H HA 0.575 5.098 4.556 -0.054 0.000 0.290 124 H C -0.504 174.799 175.328 -0.041 0.000 1.082 124 H CA -0.049 55.984 56.048 -0.026 0.000 1.234 124 H CB 0.844 30.556 29.762 -0.083 0.000 1.387 124 H HN 0.653 nan 8.280 nan 0.000 0.476 125 A N 5.066 127.749 122.820 -0.228 0.000 3.158 125 A HA 0.361 4.649 4.320 -0.052 0.000 0.319 125 A C 0.969 178.424 177.584 -0.216 0.000 1.204 125 A CA -0.191 51.745 52.037 -0.169 0.000 0.992 125 A CB -0.253 18.738 19.000 -0.015 0.000 1.110 125 A HN 0.806 nan 8.150 nan 0.000 0.519 126 G N 0.335 108.898 108.800 -0.395 0.000 2.732 126 G HA2 0.163 4.091 3.960 -0.052 0.000 0.244 126 G HA3 0.163 4.091 3.960 -0.052 0.000 0.244 126 G C 1.040 175.969 174.900 0.049 0.000 1.226 126 G CA 0.105 45.113 45.100 -0.153 0.000 0.860 126 G HN 0.940 nan 8.290 nan 0.000 0.583 127 W N 0.613 122.017 121.300 0.174 0.000 2.363 127 W HA -0.123 4.504 4.660 -0.054 0.000 0.296 127 W C 1.879 178.521 176.519 0.204 0.000 1.212 127 W CA 0.699 58.274 57.345 0.383 0.000 1.260 127 W CB -0.457 29.362 29.460 0.597 0.000 1.131 127 W HN 0.549 nan 8.180 nan 0.000 0.530 128 R N 0.870 120.914 120.500 -0.760 0.000 2.070 128 R HA -0.070 4.239 4.340 -0.052 0.000 0.233 128 R C 2.955 179.079 176.300 -0.293 0.000 1.137 128 R CA 1.972 57.594 56.100 -0.797 0.000 0.945 128 R CB -1.204 28.567 30.300 -0.882 0.000 0.845 128 R HN 0.331 nan 8.270 nan 0.000 0.430 129 G N 1.124 109.816 108.800 -0.180 0.000 2.418 129 G HA2 -0.241 3.687 3.960 -0.052 0.000 0.217 129 G HA3 -0.241 3.687 3.960 -0.052 0.000 0.217 129 G C 1.443 176.331 174.900 -0.021 0.000 1.158 129 G CA 0.267 45.312 45.100 -0.092 0.000 0.771 129 G HN 0.158 nan 8.290 nan 0.000 0.545 130 L N 0.030 121.284 121.223 0.052 0.000 2.012 130 L HA -0.141 4.167 4.340 -0.052 0.000 0.210 130 L C 2.937 179.899 176.870 0.154 0.000 1.073 130 L CA 1.563 56.508 54.840 0.175 0.000 0.748 130 L CB -0.409 41.838 42.059 0.313 0.000 0.891 130 L HN 0.363 nan 8.230 nan 0.000 0.431 131 C N -0.227 119.060 119.300 -0.022 0.000 2.413 131 C HA -0.159 4.270 4.460 -0.052 0.000 0.276 131 C C 2.914 177.816 174.990 -0.147 0.000 1.248 131 C CA 0.991 59.786 59.018 -0.371 0.000 1.742 131 C CB -0.950 26.293 27.740 -0.828 0.000 2.017 131 C HN 0.639 nan 8.230 nan 0.000 0.481 132 A N -1.400 121.357 122.820 -0.104 0.000 2.167 132 A HA 0.399 4.688 4.320 -0.052 0.000 0.214 132 A C 1.679 179.251 177.584 -0.019 0.000 1.151 132 A CA 1.511 53.509 52.037 -0.065 0.000 0.735 132 A CB -0.707 18.250 19.000 -0.073 0.000 0.802 132 A HN 1.610 nan 8.150 nan 0.000 0.467 133 G N -1.924 106.883 108.800 0.011 0.000 2.141 133 G HA2 -0.170 3.758 3.960 -0.052 0.000 0.164 133 G HA3 -0.170 3.758 3.960 -0.052 0.000 0.164 133 G C 0.826 175.750 174.900 0.041 0.000 1.009 133 G CA 0.501 45.622 45.100 0.035 0.000 0.677 133 G HN 0.853 nan 8.290 nan 0.000 0.508 134 V N 0.505 120.445 119.914 0.044 0.000 2.469 134 V HA -0.108 3.980 4.120 -0.052 0.000 0.251 134 V C 2.679 178.827 176.094 0.090 0.000 1.064 134 V CA 2.764 65.097 62.300 0.055 0.000 1.066 134 V CB -0.244 31.608 31.823 0.049 0.000 0.667 134 V HN 0.547 nan 8.190 nan 0.000 0.461 135 L N -0.549 120.748 121.223 0.123 0.000 2.072 135 L HA -0.138 4.171 4.340 -0.052 0.000 0.205 135 L C 2.558 179.480 176.870 0.085 0.000 1.079 135 L CA 1.822 56.769 54.840 0.179 0.000 0.752 135 L CB -0.658 41.541 42.059 0.233 0.000 0.906 135 L HN 0.318 nan 8.230 nan 0.000 0.436 136 E N -0.054 120.186 120.200 0.067 0.000 2.110 136 E HA -0.185 4.134 4.350 -0.052 0.000 0.193 136 E C 2.136 178.739 176.600 0.005 0.000 0.988 136 E CA 0.763 57.182 56.400 0.032 0.000 0.804 136 E CB -0.084 29.638 29.700 0.037 0.000 0.745 136 E HN 0.328 nan 8.360 nan 0.000 0.458 137 E N 0.189 120.395 120.200 0.011 0.000 2.077 137 E HA -0.149 4.170 4.350 -0.052 0.000 0.193 137 E C 2.116 178.705 176.600 -0.019 0.000 0.989 137 E CA 1.508 57.906 56.400 -0.003 0.000 0.800 137 E CB -0.326 29.378 29.700 0.006 0.000 0.746 137 E HN 0.293 nan 8.360 nan 0.000 0.452 138 T N 1.247 115.787 114.554 -0.022 0.000 2.737 138 T HA -0.087 4.231 4.350 -0.052 0.000 0.265 138 T C 2.199 176.864 174.700 -0.059 0.000 1.038 138 T CA 1.081 63.152 62.100 -0.048 0.000 1.144 138 T CB -0.274 68.540 68.868 -0.089 0.000 0.866 138 T HN -0.035 nan 8.240 nan 0.000 0.434 139 V N 2.514 122.331 119.914 -0.162 0.000 2.392 139 V HA -0.190 3.899 4.120 -0.052 0.000 0.249 139 V C 2.821 178.949 176.094 0.057 0.000 1.059 139 V CA 2.012 64.244 62.300 -0.114 0.000 1.051 139 V CB -0.990 30.750 31.823 -0.137 0.000 0.658 139 V HN 0.694 nan 8.190 nan 0.000 0.455 140 S N -1.129 114.571 115.700 0.001 0.000 2.442 140 S HA -0.225 4.213 4.470 -0.052 0.000 0.236 140 S C 1.816 176.377 174.600 -0.066 0.000 1.007 140 S CA 1.640 59.831 58.200 -0.015 0.000 0.965 140 S CB -1.030 62.153 63.200 -0.029 0.000 0.773 140 S HN 0.609 nan 8.310 nan 0.000 0.504 141 C N 0.433 119.654 119.300 -0.132 0.000 2.468 141 C HA 0.371 4.799 4.460 -0.052 0.000 0.277 141 C C 0.764 175.407 174.990 -0.579 0.000 1.400 141 C CA -0.752 57.990 59.018 -0.461 0.000 1.770 141 C CB -1.738 25.537 27.740 -0.774 0.000 1.905 141 C HN 0.521 nan 8.230 nan 0.000 0.519 142 F N 0.671 120.468 119.950 -0.255 0.000 2.484 142 F HA 0.359 4.854 4.527 -0.053 0.000 0.360 142 F C 1.325 177.100 175.800 -0.041 0.000 1.101 142 F CA 0.130 58.100 58.000 -0.050 0.000 1.251 142 F CB 0.586 39.609 39.000 0.039 0.000 1.132 142 F HN 0.088 nan 8.300 nan 0.000 0.570 143 A N 1.643 124.546 122.820 0.137 0.000 1.970 143 A HA -0.049 4.239 4.320 -0.052 0.000 0.216 143 A C 1.076 178.737 177.584 0.128 0.000 1.170 143 A CA 0.509 52.603 52.037 0.094 0.000 0.645 143 A CB -0.402 18.641 19.000 0.072 0.000 0.816 143 A HN 0.657 nan 8.150 nan 0.000 0.447 144 D N 0.544 121.064 120.400 0.201 0.000 2.363 144 D HA 0.060 4.668 4.640 -0.052 0.000 0.240 144 D C -0.315 176.050 176.300 0.108 0.000 1.236 144 D CA -0.081 54.010 54.000 0.150 0.000 0.927 144 D CB 0.310 41.217 40.800 0.178 0.000 1.150 144 D HN 0.155 nan 8.370 nan 0.000 0.458 145 N N 1.389 120.131 118.700 0.069 0.000 2.453 145 N HA 0.064 4.773 4.740 -0.052 0.000 0.253 145 N C -1.649 173.881 175.510 0.032 0.000 1.252 145 N CA -0.960 52.117 53.050 0.045 0.000 0.917 145 N CB 0.438 38.946 38.487 0.035 0.000 1.117 145 N HN 0.221 nan 8.380 nan 0.000 0.442 146 P HA -0.126 nan 4.420 nan 0.000 0.218 146 P C 1.064 178.370 177.300 0.010 0.000 1.149 146 P CA 1.153 64.256 63.100 0.005 0.000 0.817 146 P CB 0.216 31.922 31.700 0.011 0.000 0.785 147 E N -0.446 119.766 120.200 0.019 0.000 2.418 147 E HA -0.117 4.202 4.350 -0.052 0.000 0.197 147 E C 0.635 177.253 176.600 0.029 0.000 1.026 147 E CA 0.870 57.285 56.400 0.025 0.000 0.862 147 E CB -0.949 28.766 29.700 0.024 0.000 0.799 147 E HN 0.213 nan 8.360 nan 0.000 0.518 148 N N 0.714 119.428 118.700 0.024 0.000 2.336 148 N HA 0.193 4.902 4.740 -0.052 0.000 0.189 148 N C 0.100 175.617 175.510 0.012 0.000 1.113 148 N CA 0.083 53.147 53.050 0.023 0.000 0.858 148 N CB 0.558 39.064 38.487 0.031 0.000 0.970 148 N HN 0.265 nan 8.380 nan 0.000 0.471 149 I N 1.562 122.127 120.570 -0.008 0.000 2.342 149 I HA 0.196 4.335 4.170 -0.052 0.000 0.291 149 I C -0.076 176.086 176.117 0.073 0.000 1.010 149 I CA -0.483 60.786 61.300 -0.051 0.000 1.308 149 I CB 1.095 38.975 38.000 -0.200 0.000 1.400 149 I HN -0.276 nan 8.210 nan 0.000 0.488 150 L N 6.275 127.568 121.223 0.117 0.000 2.309 150 L HA 0.764 5.072 4.340 -0.052 0.000 0.282 150 L C 0.014 177.159 176.870 0.459 0.000 1.036 150 L CA -0.537 54.472 54.840 0.282 0.000 0.806 150 L CB 1.591 43.683 42.059 0.055 0.000 1.220 150 L HN 0.649 nan 8.230 nan 0.000 0.429 151 A N 2.411 125.527 122.820 0.493 0.000 2.356 151 A HA 0.566 4.854 4.320 -0.052 0.000 0.310 151 A C -1.966 175.811 177.584 0.321 0.000 1.075 151 A CA -0.355 51.802 52.037 0.200 0.000 0.746 151 A CB 1.066 20.038 19.000 -0.046 0.000 1.221 151 A HN 0.742 nan 8.150 nan 0.000 0.443 152 W N 4.481 125.681 121.300 -0.167 0.000 2.411 152 W HA 0.610 5.235 4.660 -0.058 0.000 0.317 152 W C -1.409 174.942 176.519 -0.280 0.000 1.030 152 W CA -0.729 56.427 57.345 -0.315 0.000 1.239 152 W CB 1.133 30.026 29.460 -0.946 0.000 1.304 152 W HN 0.567 nan 8.180 nan 0.000 0.437 153 L N 7.784 128.580 121.223 -0.712 0.000 2.325 153 L HA 0.435 4.743 4.340 -0.052 0.000 0.284 153 L C 1.174 177.276 176.870 -1.280 0.000 1.089 153 L CA -0.385 54.048 54.840 -0.678 0.000 0.836 153 L CB -0.090 41.751 42.059 -0.364 0.000 1.184 153 L HN 0.637 nan 8.230 nan 0.000 0.444 154 G N 4.009 112.142 108.800 -1.111 0.000 2.563 154 G HA2 0.390 4.318 3.960 -0.052 0.000 0.283 154 G HA3 0.390 4.318 3.960 -0.052 0.000 0.283 154 G C -2.612 171.972 174.900 -0.525 0.000 1.309 154 G CA -1.241 43.130 45.100 -1.215 0.000 1.022 154 G HN 0.361 nan 8.290 nan 0.000 0.501 155 P HA 0.378 nan 4.420 nan 0.000 0.266 155 P C -0.352 176.754 177.300 -0.324 0.000 1.215 155 P CA 0.336 63.181 63.100 -0.425 0.000 0.763 155 P CB 1.110 32.274 31.700 -0.894 0.000 0.806 156 A N 4.066 126.766 122.820 -0.198 0.000 2.530 156 A HA 0.611 4.899 4.320 -0.052 0.000 0.288 156 A C -0.677 176.769 177.584 -0.230 0.000 1.172 156 A CA -1.010 50.872 52.037 -0.259 0.000 0.733 156 A CB 0.886 19.623 19.000 -0.438 0.000 1.320 156 A HN 0.548 nan 8.150 nan 0.000 0.419 157 I N 1.658 122.062 120.570 -0.278 0.000 2.517 157 I HA 0.429 4.567 4.170 -0.052 0.000 0.285 157 I C 0.851 176.828 176.117 -0.234 0.000 1.106 157 I CA 0.299 61.485 61.300 -0.190 0.000 1.402 157 I CB 0.286 38.170 38.000 -0.193 0.000 1.399 157 I HN 0.706 nan 8.210 nan 0.000 0.535 158 G N 7.301 116.070 108.800 -0.051 0.000 2.557 158 G HA2 0.333 4.261 3.960 -0.052 0.000 0.292 158 G HA3 0.333 4.261 3.960 -0.052 0.000 0.292 158 G C -1.837 173.081 174.900 0.030 0.000 1.237 158 G CA -0.839 44.266 45.100 0.008 0.000 0.978 158 G HN 0.558 nan 8.290 nan 0.000 0.498 159 P HA -0.036 nan 4.420 nan 0.000 0.226 159 P C 1.291 178.588 177.300 -0.006 0.000 1.153 159 P CA 0.729 63.836 63.100 0.011 0.000 0.777 159 P CB 0.289 31.987 31.700 -0.003 0.000 0.794 160 R N -0.456 120.043 120.500 -0.002 0.000 2.240 160 R HA 0.190 4.499 4.340 -0.052 0.000 0.203 160 R C 2.016 178.269 176.300 -0.079 0.000 1.011 160 R CA 1.084 57.163 56.100 -0.035 0.000 1.007 160 R CB -0.208 30.085 30.300 -0.012 0.000 0.911 160 R HN 0.161 nan 8.270 nan 0.000 0.468 161 A N -0.103 122.668 122.820 -0.083 0.000 2.211 161 A HA 0.114 4.403 4.320 -0.052 0.000 0.208 161 A C 0.223 177.750 177.584 -0.095 0.000 1.250 161 A CA -0.389 51.504 52.037 -0.240 0.000 0.935 161 A CB 0.329 19.040 19.000 -0.481 0.000 0.982 161 A HN 0.199 nan 8.150 nan 0.000 0.490 162 F N 2.776 122.632 119.950 -0.158 0.000 2.619 162 F HA 0.364 4.860 4.527 -0.051 0.000 0.350 162 F C 0.332 176.091 175.800 -0.069 0.000 1.259 162 F CA -1.417 56.520 58.000 -0.105 0.000 1.204 162 F CB -0.642 38.292 39.000 -0.110 0.000 1.556 162 F HN 0.322 nan 8.300 nan 0.000 0.650 163 E N 4.293 124.459 120.200 -0.057 0.000 2.259 163 E HA 0.529 4.848 4.350 -0.052 0.000 0.281 163 E C -1.165 175.302 176.600 -0.223 0.000 1.027 163 E CA -0.551 55.777 56.400 -0.120 0.000 0.838 163 E CB 1.230 30.918 29.700 -0.020 0.000 1.066 163 E HN 0.417 nan 8.360 nan 0.000 0.401 164 V N 0.948 120.715 119.914 -0.246 0.000 3.078 164 V HA 0.816 4.904 4.120 -0.052 0.000 0.311 164 V C 0.289 176.323 176.094 -0.100 0.000 1.138 164 V CA -0.556 61.581 62.300 -0.271 0.000 1.007 164 V CB 1.392 32.906 31.823 -0.516 0.000 1.045 164 V HN 0.705 nan 8.190 nan 0.000 0.432 165 G N 0.647 109.374 108.800 -0.122 0.000 2.572 165 G HA2 0.457 4.386 3.960 -0.052 0.000 0.261 165 G HA3 0.457 4.386 3.960 -0.052 0.000 0.261 165 G C 1.006 175.884 174.900 -0.036 0.000 1.197 165 G CA -0.115 44.957 45.100 -0.046 0.000 0.870 165 G HN 1.625 nan 8.290 nan 0.000 0.548 166 G N -0.809 108.025 108.800 0.057 0.000 2.462 166 G HA2 0.013 3.942 3.960 -0.052 0.000 0.220 166 G HA3 0.013 3.942 3.960 -0.052 0.000 0.220 166 G C 1.509 176.296 174.900 -0.188 0.000 1.121 166 G CA 1.801 46.881 45.100 -0.035 0.000 0.758 166 G HN 0.898 nan 8.290 nan 0.000 0.559 167 E N 0.218 120.336 120.200 -0.136 0.000 2.150 167 E HA 0.050 4.369 4.350 -0.052 0.000 0.193 167 E C 2.534 179.019 176.600 -0.192 0.000 0.985 167 E CA 1.180 57.502 56.400 -0.129 0.000 0.814 167 E CB -0.531 29.129 29.700 -0.067 0.000 0.752 167 E HN 0.334 nan 8.360 nan 0.000 0.466 168 V N 0.663 120.389 119.914 -0.313 0.000 2.323 168 V HA -0.201 3.888 4.120 -0.052 0.000 0.244 168 V C 2.657 178.626 176.094 -0.209 0.000 1.041 168 V CA 1.963 64.022 62.300 -0.402 0.000 1.025 168 V CB -0.468 30.931 31.823 -0.707 0.000 0.656 168 V HN 0.590 nan 8.190 nan 0.000 0.451 169 R N 0.558 120.718 120.500 -0.568 0.000 2.091 169 R HA -0.219 4.089 4.340 -0.052 0.000 0.238 169 R C 2.366 178.365 176.300 -0.502 0.000 1.136 169 R CA 2.285 57.728 56.100 -1.094 0.000 0.959 169 R CB -0.388 28.922 30.300 -1.651 0.000 0.856 169 R HN 0.617 nan 8.270 nan 0.000 0.437 170 E N 0.383 120.379 120.200 -0.341 0.000 2.077 170 E HA -0.139 4.180 4.350 -0.052 0.000 0.193 170 E C 1.901 178.449 176.600 -0.086 0.000 0.989 170 E CA 1.383 57.672 56.400 -0.184 0.000 0.800 170 E CB -0.832 28.785 29.700 -0.139 0.000 0.746 170 E HN 0.676 nan 8.360 nan 0.000 0.452 171 A N -0.088 122.694 122.820 -0.063 0.000 1.883 171 A HA 0.216 4.505 4.320 -0.052 0.000 0.217 171 A C 1.378 178.934 177.584 -0.046 0.000 1.186 171 A CA 0.944 52.955 52.037 -0.044 0.000 0.624 171 A CB -0.427 18.563 19.000 -0.017 0.000 0.822 171 A HN 0.417 nan 8.150 nan 0.000 0.444 175 V N 0.657 120.594 119.914 0.038 0.000 2.446 175 V HA 0.132 4.220 4.120 -0.052 0.000 0.244 175 V C 0.512 176.644 176.094 0.062 0.000 1.039 175 V CA 2.091 64.418 62.300 0.045 0.000 1.045 175 V CB 0.077 31.931 31.823 0.051 0.000 0.681 175 V HN 0.597 nan 8.190 nan 0.000 0.459 176 D N -1.479 118.974 120.400 0.089 0.000 2.470 176 D HA 0.472 5.080 4.640 -0.052 0.000 0.233 176 D C 0.572 176.923 176.300 0.085 0.000 1.372 176 D CA 0.247 54.299 54.000 0.086 0.000 0.994 176 D CB 1.600 42.465 40.800 0.109 0.000 1.377 176 D HN 0.066 nan 8.370 nan 0.000 0.586 177 A N 4.225 127.078 122.820 0.055 0.000 2.024 177 A HA -0.177 4.111 4.320 -0.052 0.000 0.220 177 A C 1.827 179.441 177.584 0.049 0.000 1.164 177 A CA 1.174 53.236 52.037 0.043 0.000 0.643 177 A CB -0.277 18.738 19.000 0.025 0.000 0.806 177 A HN 0.603 nan 8.150 nan 0.000 0.451 178 K N -0.222 120.209 120.400 0.053 0.000 2.281 178 K HA -0.126 4.163 4.320 -0.052 0.000 0.203 178 K C 2.080 178.717 176.600 0.063 0.000 1.046 178 K CA 0.914 57.229 56.287 0.047 0.000 0.938 178 K CB -0.359 32.166 32.500 0.041 0.000 0.737 178 K HN 0.495 nan 8.250 nan 0.000 0.458 179 A N 1.731 124.612 122.820 0.101 0.000 2.076 179 A HA -0.199 4.089 4.320 -0.052 0.000 0.220 179 A C 2.208 179.925 177.584 0.223 0.000 1.160 179 A CA 2.002 54.132 52.037 0.155 0.000 0.653 179 A CB -0.635 18.526 19.000 0.269 0.000 0.801 179 A HN 0.436 nan 8.150 nan 0.000 0.455 180 S N 0.199 115.985 115.700 0.142 0.000 2.400 180 S HA -0.060 4.378 4.470 -0.052 0.000 0.232 180 S C 1.922 176.611 174.600 0.149 0.000 1.025 180 S CA 1.286 59.565 58.200 0.131 0.000 0.993 180 S CB -0.674 62.548 63.200 0.035 0.000 0.808 180 S HN 0.981 nan 8.310 nan 0.000 0.478 181 A N 1.175 124.043 122.820 0.079 0.000 2.121 181 A HA 0.510 4.799 4.320 -0.052 0.000 0.218 181 A C 2.162 179.733 177.584 -0.021 0.000 1.154 181 A CA 1.114 53.169 52.037 0.032 0.000 0.679 181 A CB -0.883 18.122 19.000 0.009 0.000 0.795 181 A HN 0.902 nan 8.150 nan 0.000 0.458 182 A N -1.505 121.262 122.820 -0.089 0.000 2.307 182 A HA 0.548 4.837 4.320 -0.052 0.000 0.218 182 A C -0.017 177.193 177.584 -0.623 0.000 1.228 182 A CA -0.115 51.712 52.037 -0.350 0.000 0.857 182 A CB -0.198 18.507 19.000 -0.491 0.000 0.897 182 A HN 0.296 nan 8.150 nan 0.000 0.495 183 F N -0.329 119.562 119.950 -0.098 0.000 2.532 183 F HA 0.648 5.144 4.527 -0.052 0.000 0.321 183 F C -0.151 175.670 175.800 0.035 0.000 1.089 183 F CA -1.422 56.541 58.000 -0.063 0.000 0.926 183 F CB 1.793 40.696 39.000 -0.162 0.000 1.168 183 F HN 0.133 nan 8.300 nan 0.000 0.459 184 I N -0.380 120.341 120.570 0.252 0.000 2.545 184 I HA 0.543 4.681 4.170 -0.052 0.000 0.292 184 I C -0.786 175.472 176.117 0.234 0.000 1.040 184 I CA -1.009 60.415 61.300 0.207 0.000 1.068 184 I CB 1.935 39.984 38.000 0.081 0.000 1.251 184 I HN 0.621 nan 8.210 nan 0.000 0.424 185 Q N 4.786 124.676 119.800 0.150 0.000 2.337 185 Q HA 0.134 4.442 4.340 -0.052 0.000 0.270 185 Q C -0.978 174.991 176.000 -0.052 0.000 1.002 185 Q CA 0.065 55.786 55.803 -0.136 0.000 0.888 185 Q CB 0.487 29.143 28.738 -0.136 0.000 1.222 185 Q HN 0.848 nan 8.270 nan 0.000 0.400 186 H N 3.811 122.718 119.070 -0.273 0.000 2.917 186 H HA 0.300 4.825 4.556 -0.052 0.000 0.279 186 H C 0.326 175.531 175.328 -0.204 0.000 1.211 186 H CA 0.116 56.058 56.048 -0.178 0.000 1.534 186 H CB 0.234 29.922 29.762 -0.125 0.000 1.581 186 H HN 1.016 nan 8.280 nan 0.000 0.510 187 G N 4.718 113.347 108.800 -0.285 0.000 2.591 187 G HA2 -0.391 3.538 3.960 -0.052 0.000 0.298 187 G HA3 -0.391 3.538 3.960 -0.052 0.000 0.298 187 G C 0.631 175.344 174.900 -0.310 0.000 1.195 187 G CA 0.611 45.522 45.100 -0.314 0.000 0.989 187 G HN 0.651 nan 8.290 nan 0.000 0.551 188 D N 1.771 121.995 120.400 -0.293 0.000 2.349 188 D HA 0.161 4.770 4.640 -0.052 0.000 0.224 188 D C 1.303 177.428 176.300 -0.291 0.000 1.029 188 D CA 0.934 54.786 54.000 -0.247 0.000 0.879 188 D CB 0.225 40.926 40.800 -0.165 0.000 0.906 188 D HN 0.278 nan 8.370 nan 0.000 0.528 189 K N -0.180 119.999 120.400 -0.370 0.000 2.246 189 K HA 0.472 4.760 4.320 -0.052 0.000 0.239 189 K C -0.719 175.553 176.600 -0.547 0.000 1.089 189 K CA -0.747 55.358 56.287 -0.303 0.000 0.892 189 K CB 0.996 33.405 32.500 -0.152 0.000 1.334 189 K HN -0.145 nan 8.250 nan 0.000 0.507 190 Y N -0.183 120.091 120.300 -0.044 0.000 2.492 190 Y HA 0.403 4.921 4.550 -0.053 0.000 0.346 190 Y C -0.293 175.602 175.900 -0.009 0.000 0.997 190 Y CA -0.820 57.288 58.100 0.013 0.000 1.025 190 Y CB 1.615 40.102 38.460 0.044 0.000 1.263 190 Y HN 0.149 nan 8.280 nan 0.000 0.454 191 L N 3.244 124.554 121.223 0.145 0.000 2.276 191 L HA 0.742 5.051 4.340 -0.052 0.000 0.286 191 L C -0.021 176.819 176.870 -0.049 0.000 1.061 191 L CA -0.661 54.184 54.840 0.009 0.000 0.807 191 L CB 0.928 42.974 42.059 -0.022 0.000 1.177 191 L HN 0.750 nan 8.230 nan 0.000 0.429 192 A N 2.305 124.991 122.820 -0.222 0.000 2.317 192 A HA 0.426 4.715 4.320 -0.052 0.000 0.327 192 A C -0.823 176.598 177.584 -0.270 0.000 1.178 192 A CA -0.539 51.202 52.037 -0.493 0.000 0.817 192 A CB 1.051 19.638 19.000 -0.688 0.000 1.189 192 A HN 0.641 nan 8.150 nan 0.000 0.489 193 D N 2.728 122.892 120.400 -0.392 0.000 2.467 193 D HA 0.224 4.833 4.640 -0.052 0.000 0.220 193 D C 0.657 176.791 176.300 -0.277 0.000 1.103 193 D CA -0.365 53.497 54.000 -0.230 0.000 0.886 193 D CB 0.690 41.387 40.800 -0.172 0.000 1.025 193 D HN 0.310 nan 8.370 nan 0.000 0.514 194 I N 4.154 124.571 120.570 -0.255 0.000 2.394 194 I HA -0.201 3.938 4.170 -0.052 0.000 0.251 194 I C 1.305 177.254 176.117 -0.279 0.000 1.136 194 I CA 1.304 62.429 61.300 -0.291 0.000 1.425 194 I CB -0.204 37.584 38.000 -0.353 0.000 1.079 194 I HN 0.455 nan 8.210 nan 0.000 0.425 195 Y N -0.048 120.168 120.300 -0.141 0.000 2.145 195 Y HA -0.325 4.192 4.550 -0.055 0.000 0.286 195 Y C 2.740 178.559 175.900 -0.135 0.000 1.145 195 Y CA 1.775 59.787 58.100 -0.148 0.000 1.148 195 Y CB -0.667 37.700 38.460 -0.154 0.000 0.981 195 Y HN 0.246 nan 8.280 nan 0.000 0.507 196 Q N 0.656 120.460 119.800 0.007 0.000 2.084 196 Q HA -0.198 4.110 4.340 -0.052 0.000 0.202 196 Q C 2.118 178.066 176.000 -0.086 0.000 0.978 196 Q CA 1.563 57.333 55.803 -0.056 0.000 0.844 196 Q CB -0.253 28.427 28.738 -0.096 0.000 0.898 196 Q HN 0.546 nan 8.270 nan 0.000 0.426 197 L N 0.142 121.269 121.223 -0.161 0.000 2.012 197 L HA -0.218 4.091 4.340 -0.052 0.000 0.210 197 L C 2.605 179.466 176.870 -0.015 0.000 1.073 197 L CA 1.177 55.926 54.840 -0.151 0.000 0.748 197 L CB -0.678 41.168 42.059 -0.355 0.000 0.891 197 L HN 0.314 nan 8.230 nan 0.000 0.431 198 A N 0.091 122.908 122.820 -0.005 0.000 1.883 198 A HA -0.225 4.064 4.320 -0.052 0.000 0.217 198 A C 2.380 179.988 177.584 0.041 0.000 1.186 198 A CA 1.665 53.727 52.037 0.041 0.000 0.624 198 A CB -0.526 18.490 19.000 0.025 0.000 0.822 198 A HN 0.327 nan 8.150 nan 0.000 0.444 199 R N -0.638 119.869 120.500 0.013 0.000 2.091 199 R HA -0.181 4.127 4.340 -0.052 0.000 0.238 199 R C 2.532 178.843 176.300 0.018 0.000 1.136 199 R CA 1.781 57.883 56.100 0.004 0.000 0.959 199 R CB -0.398 29.889 30.300 -0.021 0.000 0.856 199 R HN 0.705 nan 8.270 nan 0.000 0.437 200 Q N -0.116 119.694 119.800 0.017 0.000 2.030 200 Q HA -0.128 4.180 4.340 -0.052 0.000 0.204 200 Q C 2.204 178.239 176.000 0.058 0.000 0.986 200 Q CA 1.203 57.025 55.803 0.032 0.000 0.843 200 Q CB -0.034 28.722 28.738 0.030 0.000 0.904 200 Q HN 0.188 nan 8.270 nan 0.000 0.420 201 R N 0.425 120.974 120.500 0.081 0.000 2.115 201 R HA -0.022 4.286 4.340 -0.052 0.000 0.226 201 R C 2.250 178.606 176.300 0.093 0.000 1.100 201 R CA 0.817 56.978 56.100 0.102 0.000 0.980 201 R CB -0.528 29.856 30.300 0.139 0.000 0.875 201 R HN 0.317 nan 8.270 nan 0.000 0.445 202 L N 0.154 121.435 121.223 0.097 0.000 2.072 202 L HA -0.055 4.253 4.340 -0.052 0.000 0.205 202 L C 2.580 179.492 176.870 0.070 0.000 1.079 202 L CA 1.153 56.056 54.840 0.105 0.000 0.752 202 L CB -0.602 41.535 42.059 0.129 0.000 0.906 202 L HN 0.110 nan 8.230 nan 0.000 0.436 203 A N 0.304 123.155 122.820 0.051 0.000 1.940 203 A HA -0.226 4.063 4.320 -0.052 0.000 0.219 203 A C 1.978 179.583 177.584 0.035 0.000 1.176 203 A CA 1.867 53.925 52.037 0.035 0.000 0.631 203 A CB -0.587 18.426 19.000 0.022 0.000 0.814 203 A HN 0.444 nan 8.150 nan 0.000 0.446 204 N N 0.033 118.758 118.700 0.042 0.000 2.272 204 N HA -0.122 4.586 4.740 -0.052 0.000 0.185 204 N C 1.291 176.822 175.510 0.035 0.000 1.014 204 N CA 1.795 54.869 53.050 0.039 0.000 0.870 204 N CB -0.327 38.189 38.487 0.047 0.000 0.975 204 N HN 0.573 nan 8.380 nan 0.000 0.433 205 V N -4.130 115.807 119.914 0.039 0.000 3.177 205 V HA 0.593 4.681 4.120 -0.052 0.000 0.342 205 V C 1.139 177.249 176.094 0.027 0.000 1.379 205 V CA 0.065 62.384 62.300 0.031 0.000 1.191 205 V CB -0.046 31.795 31.823 0.029 0.000 1.167 205 V HN 0.219 nan 8.190 nan 0.000 0.471 206 G N 0.188 109.005 108.800 0.028 0.000 2.159 206 G HA2 -0.216 3.712 3.960 -0.052 0.000 0.256 206 G HA3 -0.216 3.712 3.960 -0.052 0.000 0.256 206 G C 0.071 174.987 174.900 0.028 0.000 0.977 206 G CA 0.096 45.211 45.100 0.024 0.000 0.652 206 G HN 0.914 nan 8.290 nan 0.000 0.531 207 V N 0.704 120.642 119.914 0.040 0.000 2.334 207 V HA 0.460 4.548 4.120 -0.052 0.000 0.267 207 V C 0.815 176.938 176.094 0.049 0.000 1.040 207 V CA 0.277 62.611 62.300 0.056 0.000 0.866 207 V CB 1.203 33.085 31.823 0.098 0.000 1.019 207 V HN 0.452 nan 8.190 nan 0.000 0.468 208 E N 2.241 122.460 120.200 0.032 0.000 2.601 208 E HA 0.139 4.458 4.350 -0.052 0.000 0.219 208 E C -0.058 176.524 176.600 -0.031 0.000 0.964 208 E CA -0.228 56.172 56.400 -0.000 0.000 1.050 208 E CB 0.743 30.441 29.700 -0.004 0.000 1.068 208 E HN 0.564 nan 8.360 nan 0.000 0.496 209 Q N 1.553 121.362 119.800 0.015 0.000 2.566 209 Q HA 0.240 4.549 4.340 -0.052 0.000 0.221 209 Q C -0.443 175.532 176.000 -0.043 0.000 1.195 209 Q CA 0.214 56.022 55.803 0.009 0.000 0.967 209 Q CB 0.493 29.355 28.738 0.207 0.000 1.337 209 Q HN 0.163 nan 8.270 nan 0.000 0.553 210 I N 2.639 122.980 120.570 -0.381 0.000 2.433 210 I HA 0.488 4.627 4.170 -0.052 0.000 0.292 210 I C -0.061 175.649 176.117 -0.679 0.000 1.001 210 I CA -0.791 60.335 61.300 -0.291 0.000 1.119 210 I CB 0.855 38.747 38.000 -0.181 0.000 1.289 210 I HN 0.224 nan 8.210 nan 0.000 0.438 211 F N 1.776 121.779 119.950 0.088 0.000 2.654 211 F HA 0.814 5.308 4.527 -0.054 0.000 0.334 211 F C 1.017 176.764 175.800 -0.087 0.000 1.078 211 F CA -0.075 57.990 58.000 0.108 0.000 0.986 211 F CB 1.290 40.491 39.000 0.334 0.000 1.362 211 F HN 0.733 nan 8.300 nan 0.000 0.498 212 G N 0.329 109.195 108.800 0.110 0.000 2.562 212 G HA2 0.299 4.227 3.960 -0.052 0.000 0.250 212 G HA3 0.299 4.227 3.960 -0.052 0.000 0.250 212 G C 0.679 175.318 174.900 -0.434 0.000 1.269 212 G CA 0.045 44.970 45.100 -0.292 0.000 0.919 212 G HN 2.152 nan 8.290 nan 0.000 0.574 213 G N -1.236 107.124 108.800 -0.733 0.000 2.136 213 G HA2 0.031 3.960 3.960 -0.052 0.000 0.242 213 G HA3 0.031 3.960 3.960 -0.052 0.000 0.242 213 G C 0.560 174.876 174.900 -0.973 0.000 0.989 213 G CA 1.373 45.743 45.100 -1.217 0.000 0.682 213 G HN 2.217 nan 8.290 nan 0.000 0.522 214 D N -1.144 118.940 120.400 -0.526 0.000 2.433 214 D HA 0.209 4.818 4.640 -0.052 0.000 0.211 214 D C 1.086 177.306 176.300 -0.134 0.000 1.114 214 D CA -0.156 53.688 54.000 -0.261 0.000 0.837 214 D CB 0.421 41.148 40.800 -0.121 0.000 0.984 214 D HN 0.342 nan 8.370 nan 0.000 0.505 215 R N -0.048 120.364 120.500 -0.147 0.000 2.856 215 R HA 0.624 4.933 4.340 -0.052 0.000 0.258 215 R C -0.726 175.608 176.300 0.057 0.000 1.066 215 R CA -0.814 55.291 56.100 0.008 0.000 1.045 215 R CB 1.301 31.602 30.300 0.002 0.000 1.178 215 R HN 0.117 nan 8.270 nan 0.000 0.499 216 C N 1.145 120.501 119.300 0.092 0.000 2.522 216 C HA 0.248 4.677 4.460 -0.052 0.000 0.344 216 C C 1.698 176.754 174.990 0.110 0.000 1.104 216 C CA -0.202 58.876 59.018 0.100 0.000 1.317 216 C CB 0.275 28.103 27.740 0.146 0.000 1.896 216 C HN 0.998 nan 8.230 nan 0.000 0.443 217 T N 1.793 116.335 114.554 -0.021 0.000 2.881 217 T HA -0.193 4.126 4.350 -0.052 0.000 0.270 217 T C 1.404 176.227 174.700 0.204 0.000 1.068 217 T CA 1.806 63.932 62.100 0.044 0.000 1.131 217 T CB -0.406 68.432 68.868 -0.049 0.000 0.871 217 T HN 0.881 nan 8.240 nan 0.000 0.479 218 Y N 2.070 122.420 120.300 0.083 0.000 2.206 218 Y HA -0.017 4.506 4.550 -0.045 0.000 0.292 218 Y C 2.671 178.628 175.900 0.095 0.000 1.123 218 Y CA 1.704 59.858 58.100 0.090 0.000 1.142 218 Y CB -0.359 38.142 38.460 0.069 0.000 1.006 218 Y HN 0.176 nan 8.280 nan 0.000 0.518 219 T N 0.351 115.096 114.554 0.319 0.000 2.777 219 T HA -0.133 4.186 4.350 -0.052 0.000 0.266 219 T C 0.600 175.372 174.700 0.120 0.000 1.040 219 T CA 1.375 63.608 62.100 0.223 0.000 1.141 219 T CB -0.248 68.742 68.868 0.204 0.000 0.868 219 T HN 0.334 nan 8.240 nan 0.000 0.444 220 E N 2.851 123.154 120.200 0.171 0.000 2.261 220 E HA 0.063 4.382 4.350 -0.052 0.000 0.308 220 E C 0.953 177.598 176.600 0.075 0.000 1.400 220 E CA -0.423 56.063 56.400 0.143 0.000 1.542 220 E CB -0.068 29.790 29.700 0.263 0.000 1.369 220 E HN 0.457 nan 8.360 nan 0.000 0.493 221 N N 0.912 119.613 118.700 0.002 0.000 2.381 221 N HA -0.210 4.499 4.740 -0.052 0.000 0.182 221 N C 0.937 176.391 175.510 -0.092 0.000 1.025 221 N CA 0.964 53.984 53.050 -0.050 0.000 0.888 221 N CB 0.122 38.554 38.487 -0.091 0.000 0.965 221 N HN 0.351 nan 8.380 nan 0.000 0.438 222 E N -0.665 119.473 120.200 -0.103 0.000 2.427 222 E HA 0.015 4.334 4.350 -0.052 0.000 0.196 222 E C 0.594 177.055 176.600 -0.232 0.000 1.028 222 E CA 0.809 57.126 56.400 -0.139 0.000 0.864 222 E CB 0.178 29.817 29.700 -0.102 0.000 0.813 222 E HN 0.481 nan 8.360 nan 0.000 0.514 223 T N -0.371 113.986 114.554 -0.329 0.000 2.999 223 T HA 0.146 4.465 4.350 -0.052 0.000 0.247 223 T C -0.163 174.025 174.700 -0.854 0.000 1.012 223 T CA 0.222 61.941 62.100 -0.635 0.000 1.048 223 T CB 0.350 68.693 68.868 -0.875 0.000 1.020 223 T HN -0.092 nan 8.240 nan 0.000 0.478 224 F N 0.506 120.373 119.950 -0.138 0.000 2.565 224 F HA 0.622 5.138 4.527 -0.019 0.000 0.313 224 F C -0.605 175.111 175.800 -0.140 0.000 1.091 224 F CA -2.380 55.544 58.000 -0.127 0.000 0.915 224 F CB 0.911 39.914 39.000 0.005 0.000 1.208 224 F HN -0.092 nan 8.300 nan 0.000 0.453 225 F N 0.996 121.097 119.950 0.250 0.000 2.496 225 F HA 0.405 4.915 4.527 -0.029 0.000 0.344 225 F C 0.718 176.616 175.800 0.164 0.000 1.155 225 F CA -0.125 57.973 58.000 0.163 0.000 1.302 225 F CB 0.788 39.884 39.000 0.160 0.000 1.159 225 F HN 0.312 nan 8.300 nan 0.000 0.595 226 S N 2.186 118.073 115.700 0.311 0.000 2.720 226 S HA 0.200 4.638 4.470 -0.052 0.000 0.278 226 S C 0.260 174.992 174.600 0.219 0.000 1.172 226 S CA -0.670 57.670 58.200 0.233 0.000 1.019 226 S CB 0.103 63.392 63.200 0.147 0.000 1.049 226 S HN 0.600 nan 8.310 nan 0.000 0.483 227 Y N 5.638 126.024 120.300 0.142 0.000 2.128 227 Y HA -0.094 4.424 4.550 -0.054 0.000 0.284 227 Y C 2.339 178.322 175.900 0.137 0.000 1.154 227 Y CA 2.379 60.552 58.100 0.121 0.000 1.149 227 Y CB -0.093 38.438 38.460 0.118 0.000 0.976 227 Y HN 0.775 nan 8.280 nan 0.000 0.505 228 R N 0.249 120.876 120.500 0.211 0.000 2.091 228 R HA -0.213 4.096 4.340 -0.052 0.000 0.238 228 R C 2.584 178.978 176.300 0.156 0.000 1.136 228 R CA 1.775 57.979 56.100 0.174 0.000 0.959 228 R CB -0.327 30.164 30.300 0.319 0.000 0.856 228 R HN 0.362 nan 8.270 nan 0.000 0.437 229 R N -0.320 120.289 120.500 0.180 0.000 2.066 229 R HA -0.105 4.203 4.340 -0.052 0.000 0.232 229 R C 0.760 177.036 176.300 -0.040 0.000 1.131 229 R CA 2.057 58.167 56.100 0.016 0.000 0.955 229 R CB 0.145 30.252 30.300 -0.322 0.000 0.851 229 R HN 0.267 nan 8.270 nan 0.000 0.432 230 D N -1.649 118.712 120.400 -0.066 0.000 2.479 230 D HA 0.104 4.713 4.640 -0.052 0.000 0.221 230 D C 1.180 177.396 176.300 -0.140 0.000 1.104 230 D CA 0.963 54.913 54.000 -0.084 0.000 0.849 230 D CB 1.247 42.019 40.800 -0.045 0.000 1.072 230 D HN 0.268 nan 8.370 nan 0.000 0.502 231 K N 0.265 120.504 120.400 -0.269 0.000 9.641 231 K HA -0.214 4.075 4.320 -0.052 0.000 0.509 231 K C 1.000 177.529 176.600 -0.119 0.000 0.371 231 K CA 2.065 58.105 56.287 -0.413 0.000 1.955 231 K CB -2.497 29.828 32.500 -0.291 0.000 0.718 231 K HN 0.251 nan 8.250 nan 0.000 1.078 232 T N 1.558 116.066 114.554 -0.077 0.000 2.832 232 T HA 0.585 4.904 4.350 -0.052 0.000 0.313 232 T C -0.083 174.518 174.700 -0.164 0.000 1.035 232 T CA 0.503 62.577 62.100 -0.044 0.000 0.950 232 T CB 1.212 70.040 68.868 -0.066 0.000 0.984 232 T HN 0.972 nan 8.240 nan 0.000 0.486 233 T N 1.556 116.057 114.554 -0.088 0.000 2.661 233 T HA 0.649 4.967 4.350 -0.052 0.000 0.305 233 T C 0.149 174.785 174.700 -0.108 0.000 1.441 233 T CA -0.204 61.784 62.100 -0.186 0.000 0.999 233 T CB 0.897 69.743 68.868 -0.035 0.000 1.650 233 T HN 0.614 nan 8.240 nan 0.000 0.489 234 G N 0.537 108.971 108.800 -0.611 0.000 2.563 234 G HA2 0.663 4.591 3.960 -0.052 0.000 0.283 234 G HA3 0.663 4.591 3.960 -0.052 0.000 0.283 234 G C -0.664 173.744 174.900 -0.820 0.000 1.309 234 G CA -0.282 44.177 45.100 -1.068 0.000 1.022 234 G HN 0.653 nan 8.290 nan 0.000 0.501 238 S N -0.095 115.463 115.700 -0.237 0.000 2.500 238 S HA 0.889 5.327 4.470 -0.052 0.000 0.301 238 S C -1.238 173.149 174.600 -0.355 0.000 1.092 238 S CA -0.212 57.946 58.200 -0.070 0.000 1.030 238 S CB 0.659 63.960 63.200 0.167 0.000 1.031 238 S HN 0.527 nan 8.310 nan 0.000 0.483 239 F N 1.753 121.837 119.950 0.223 0.000 2.578 239 F HA 0.711 5.204 4.527 -0.056 0.000 0.311 239 F C -0.250 175.705 175.800 0.258 0.000 1.094 239 F CA -0.822 57.324 58.000 0.242 0.000 0.923 239 F CB 1.434 40.626 39.000 0.320 0.000 1.230 239 F HN 0.411 nan 8.300 nan 0.000 0.450 240 I N 2.355 123.210 120.570 0.474 0.000 2.775 240 I HA 0.621 4.759 4.170 -0.052 0.000 0.295 240 I C -2.137 174.238 176.117 0.430 0.000 1.287 240 I CA -0.525 60.956 61.300 0.301 0.000 1.029 240 I CB 2.056 40.193 38.000 0.228 0.000 1.282 240 I HN 0.827 nan 8.210 nan 0.000 0.426 241 W N 5.721 127.056 121.300 0.058 0.000 3.248 241 W HA 0.641 5.268 4.660 -0.056 0.000 0.311 241 W C -2.436 174.079 176.519 -0.006 0.000 1.258 241 W CA -1.068 56.279 57.345 0.003 0.000 1.191 241 W CB 0.460 29.904 29.460 -0.027 0.000 1.389 241 W HN 0.246 nan 8.180 nan 0.000 0.561 242 L N 3.725 125.049 121.223 0.167 0.000 2.331 242 L HA 0.341 4.649 4.340 -0.052 0.000 0.278 242 L C 0.799 177.775 176.870 0.177 0.000 1.106 242 L CA -0.672 54.207 54.840 0.065 0.000 0.824 242 L CB 0.354 42.430 42.059 0.028 0.000 1.142 242 L HN 0.446 nan 8.230 nan 0.000 0.443 243 I N 0.000 120.624 120.570 0.089 0.000 2.984 243 I HA 0.000 4.139 4.170 -0.052 0.000 0.288 243 I CA 0.000 61.393 61.300 0.155 0.000 1.566 243 I CB 0.000 38.036 38.000 0.060 0.000 1.214 243 I HN 0.000 nan 8.210 nan 0.000 0.494