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 3a6p_1_C DATA FIRST_RESID 7 DATA SEQUENCE PQVQFKLVLV GDGGTGKTTF VKRHLTGEFE KKYVATLGVE VHPLVFHTNR DATA SEQUENCE GPIKFNVWDT AGQEKFGGLR DGYYIQAQCA IIMFDVTSRV TYKNVPNWHR DATA SEQUENCE DLVRVCENIP IVLCGNKVDI KDRKVKAKSI VFHRKKNLQY YDISAKSNYN DATA SEQUENCE FEKPFLWLAR KLIGDPNLEF 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.264 177.300 -0.059 0.000 1.155 7 P CA 0.000 63.063 63.100 -0.061 0.000 0.800 7 P CB 0.000 31.676 31.700 -0.040 0.000 0.726 8 Q N -0.253 119.499 119.800 -0.080 0.000 1.549 8 Q HA 0.159 4.499 4.340 -0.000 0.000 0.146 8 Q C 1.074 176.999 176.000 -0.127 0.000 0.404 8 Q CA 0.331 56.086 55.803 -0.081 0.000 0.710 8 Q CB -0.025 28.678 28.738 -0.059 0.000 0.744 8 Q HN 0.158 nan 8.270 nan 0.000 0.160 9 V N -0.100 119.708 119.914 -0.177 0.000 2.270 9 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 9 V C 0.675 176.490 176.094 -0.465 0.000 1.043 9 V CA 1.734 63.834 62.300 -0.334 0.000 1.014 9 V CB -0.989 30.570 31.823 -0.441 0.000 0.645 9 V HN 0.826 nan 8.190 nan 0.000 0.447 10 Q N -0.302 119.238 119.800 -0.433 0.000 3.050 10 Q HA -0.191 4.149 4.340 -0.000 0.000 0.074 10 Q C -1.573 174.129 176.000 -0.498 0.000 1.613 10 Q CA 0.276 55.874 55.803 -0.342 0.000 0.348 10 Q CB -0.871 27.766 28.738 -0.169 0.000 0.599 10 Q HN 0.643 nan 8.270 nan 0.000 0.321 11 F N 2.859 122.720 119.950 -0.148 0.000 2.576 11 F HA 0.488 5.015 4.527 -0.000 0.000 0.313 11 F C 0.225 176.081 175.800 0.094 0.000 1.078 11 F CA -0.754 57.193 58.000 -0.088 0.000 0.921 11 F CB 1.735 40.584 39.000 -0.252 0.000 1.232 11 F HN 0.381 nan 8.300 nan 0.000 0.459 12 K N 2.863 123.484 120.400 0.369 0.000 2.248 12 K HA 0.566 4.886 4.320 -0.000 0.000 0.281 12 K C -1.641 175.177 176.600 0.363 0.000 1.054 12 K CA -0.596 55.909 56.287 0.364 0.000 0.903 12 K CB 0.879 33.508 32.500 0.215 0.000 1.077 12 K HN 0.605 nan 8.250 nan 0.000 0.474 13 L N 5.306 126.810 121.223 0.468 0.000 2.333 13 L HA 0.414 4.754 4.340 -0.000 0.000 0.280 13 L C -1.492 175.570 176.870 0.320 0.000 1.004 13 L CA -0.584 54.475 54.840 0.364 0.000 0.820 13 L CB 1.883 44.175 42.059 0.388 0.000 1.247 13 L HN 0.355 nan 8.230 nan 0.000 0.416 14 V N 6.118 126.131 119.914 0.165 0.000 2.398 14 V HA 0.465 4.585 4.120 -0.000 0.000 0.286 14 V C -0.652 175.471 176.094 0.049 0.000 1.026 14 V CA -0.523 61.853 62.300 0.127 0.000 0.868 14 V CB 1.606 33.434 31.823 0.010 0.000 0.982 14 V HN 0.654 nan 8.190 nan 0.000 0.443 15 L N 8.003 129.277 121.223 0.086 0.000 2.294 15 L HA 0.740 5.080 4.340 -0.000 0.000 0.283 15 L C -0.329 176.508 176.870 -0.056 0.000 1.015 15 L CA -0.047 54.799 54.840 0.010 0.000 0.831 15 L CB 1.563 43.662 42.059 0.067 0.000 1.217 15 L HN 0.544 nan 8.230 nan 0.000 0.420 16 V N 2.040 121.837 119.914 -0.194 0.000 2.960 16 V HA 1.139 5.258 4.120 -0.000 0.000 0.315 16 V C 0.018 175.656 176.094 -0.759 0.000 1.087 16 V CA 0.000 62.034 62.300 -0.445 0.000 0.982 16 V CB 1.245 32.860 31.823 -0.346 0.000 1.039 16 V HN 1.069 nan 8.190 nan 0.000 0.437 17 G N 0.916 108.834 108.800 -1.470 0.000 2.352 17 G HA2 0.322 4.282 3.960 -0.000 0.000 0.302 17 G HA3 0.322 4.282 3.960 -0.000 0.000 0.302 17 G C -1.746 172.795 174.900 -0.599 0.000 1.370 17 G CA -0.718 43.611 45.100 -1.285 0.000 0.918 17 G HN 0.838 nan 8.290 nan 0.000 0.610 18 D N -0.263 120.158 120.400 0.034 0.000 2.362 18 D HA 0.451 5.091 4.640 -0.000 0.000 0.238 18 D C 1.238 177.610 176.300 0.121 0.000 1.212 18 D CA 1.074 55.248 54.000 0.289 0.000 0.902 18 D CB 0.647 41.634 40.800 0.313 0.000 1.180 18 D HN 0.751 nan 8.370 nan 0.000 0.445 19 G N -0.989 107.905 108.800 0.158 0.000 2.343 19 G HA2 0.401 4.361 3.960 -0.000 0.000 0.254 19 G HA3 0.401 4.361 3.960 -0.000 0.000 0.254 19 G C 0.961 175.801 174.900 -0.101 0.000 1.277 19 G CA 0.088 45.250 45.100 0.104 0.000 0.909 19 G HN 0.729 nan 8.290 nan 0.000 0.502 20 G N 1.569 110.228 108.800 -0.236 0.000 2.157 20 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.239 20 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.239 20 G C 1.128 175.898 174.900 -0.218 0.000 0.982 20 G CA 1.040 45.801 45.100 -0.563 0.000 0.650 20 G HN 1.630 nan 8.290 nan 0.000 0.527 21 T N -1.504 112.999 114.554 -0.086 0.000 3.129 21 T HA 0.440 4.790 4.350 -0.000 0.000 0.251 21 T C 1.941 176.624 174.700 -0.027 0.000 1.117 21 T CA 1.196 63.270 62.100 -0.043 0.000 1.034 21 T CB 0.382 69.238 68.868 -0.020 0.000 0.968 21 T HN 2.201 nan 8.240 nan 0.000 0.526 22 G N 1.707 110.509 108.800 0.004 0.000 2.325 22 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 22 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 22 G C 0.460 175.417 174.900 0.094 0.000 1.108 22 G CA 0.162 45.298 45.100 0.060 0.000 0.881 22 G HN 0.511 nan 8.290 nan 0.000 0.494 23 K N -0.791 119.659 120.400 0.083 0.000 2.098 23 K HA 0.008 4.328 4.320 -0.000 0.000 0.203 23 K C 2.575 179.288 176.600 0.189 0.000 1.051 23 K CA 1.579 57.937 56.287 0.117 0.000 0.957 23 K CB -0.108 32.421 32.500 0.048 0.000 0.738 23 K HN 0.334 nan 8.250 nan 0.000 0.447 24 T N 0.834 115.471 114.554 0.138 0.000 2.867 24 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 24 T C 1.862 176.630 174.700 0.114 0.000 1.057 24 T CA 1.563 63.738 62.100 0.125 0.000 1.136 24 T CB -0.230 68.686 68.868 0.080 0.000 0.874 24 T HN 0.224 nan 8.240 nan 0.000 0.466 25 T N 1.691 116.306 114.554 0.102 0.000 2.896 25 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 25 T C 1.509 176.321 174.700 0.187 0.000 1.050 25 T CA 0.401 62.524 62.100 0.039 0.000 1.140 25 T CB -0.431 68.367 68.868 -0.115 0.000 0.877 25 T HN 0.337 nan 8.240 nan 0.000 0.457 26 F N 2.163 122.190 119.950 0.128 0.000 2.161 26 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 26 F C 2.025 177.994 175.800 0.281 0.000 1.089 26 F CA 0.845 58.982 58.000 0.228 0.000 1.282 26 F CB -0.477 38.634 39.000 0.184 0.000 1.010 26 F HN -0.060 nan 8.300 nan 0.000 0.485 27 V N -0.056 119.939 119.914 0.135 0.000 2.379 27 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 27 V C 2.378 178.461 176.094 -0.019 0.000 1.035 27 V CA 1.786 64.102 62.300 0.026 0.000 1.035 27 V CB -0.695 31.232 31.823 0.174 0.000 0.673 27 V HN 0.194 nan 8.190 nan 0.000 0.457 28 K N 0.277 120.671 120.400 -0.009 0.000 2.113 28 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 28 K C 2.296 178.878 176.600 -0.030 0.000 1.047 28 K CA 1.846 58.092 56.287 -0.069 0.000 0.928 28 K CB -0.101 32.366 32.500 -0.054 0.000 0.716 28 K HN 0.358 nan 8.250 nan 0.000 0.446 29 R N -0.403 120.121 120.500 0.041 0.000 2.092 29 R HA -0.171 4.169 4.340 -0.000 0.000 0.226 29 R C 2.060 178.423 176.300 0.106 0.000 1.140 29 R CA 2.155 58.311 56.100 0.094 0.000 0.910 29 R CB -0.544 29.887 30.300 0.217 0.000 0.822 29 R HN 0.303 nan 8.270 nan 0.000 0.433 30 H N 0.144 119.244 119.070 0.051 0.000 2.330 30 H HA -0.234 4.322 4.556 -0.000 0.000 0.290 30 H C 1.844 177.090 175.328 -0.137 0.000 1.111 30 H CA 2.249 58.253 56.048 -0.074 0.000 1.226 30 H CB -0.159 29.298 29.762 -0.508 0.000 1.355 30 H HN 0.155 nan 8.280 nan 0.000 0.485 31 L N 0.237 121.436 121.223 -0.041 0.000 1.961 31 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 31 L C 2.477 179.291 176.870 -0.095 0.000 1.075 31 L CA 2.708 57.480 54.840 -0.113 0.000 0.749 31 L CB -1.391 40.555 42.059 -0.188 0.000 0.890 31 L HN 0.565 nan 8.230 nan 0.000 0.433 32 T N -2.881 111.621 114.554 -0.086 0.000 2.770 32 T HA 0.116 4.466 4.350 -0.000 0.000 0.258 32 T C 1.417 176.085 174.700 -0.053 0.000 1.039 32 T CA 1.107 63.165 62.100 -0.070 0.000 1.143 32 T CB -0.357 68.470 68.868 -0.068 0.000 0.866 32 T HN 0.706 nan 8.240 nan 0.000 0.428 33 G N 0.885 109.662 108.800 -0.037 0.000 2.141 33 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.164 33 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.164 33 G C -0.368 174.510 174.900 -0.037 0.000 1.009 33 G CA -0.117 44.953 45.100 -0.050 0.000 0.677 33 G HN 0.687 nan 8.290 nan 0.000 0.508 34 E N -0.893 119.304 120.200 -0.005 0.000 2.244 34 E HA 0.639 4.989 4.350 -0.000 0.000 0.266 34 E C -1.091 175.565 176.600 0.094 0.000 0.914 34 E CA -1.089 55.330 56.400 0.031 0.000 0.794 34 E CB 1.900 31.606 29.700 0.010 0.000 1.210 34 E HN 0.140 nan 8.360 nan 0.000 0.414 35 F N 2.048 121.990 119.950 -0.014 0.000 2.410 35 F HA 0.217 4.744 4.527 0.000 0.000 0.349 35 F C 0.075 175.887 175.800 0.020 0.000 1.117 35 F CA -0.536 57.472 58.000 0.013 0.000 1.104 35 F CB 0.927 39.934 39.000 0.011 0.000 1.122 35 F HN 0.309 nan 8.300 nan 0.000 0.483 36 E N 5.173 125.024 120.200 -0.581 0.000 2.249 36 E HA 0.263 4.613 4.350 -0.000 0.000 0.280 36 E C -0.146 176.075 176.600 -0.632 0.000 1.016 36 E CA -0.167 55.974 56.400 -0.430 0.000 0.830 36 E CB 1.391 30.931 29.700 -0.267 0.000 1.081 36 E HN 0.714 nan 8.360 nan 0.000 0.395 37 K N 2.472 122.752 120.400 -0.201 0.000 2.190 37 K HA 0.131 4.451 4.320 -0.000 0.000 0.202 37 K C -0.069 176.531 176.600 -0.000 0.000 1.045 37 K CA 0.309 56.583 56.287 -0.022 0.000 0.976 37 K CB 0.127 32.692 32.500 0.108 0.000 0.849 37 K HN 0.214 nan 8.250 nan 0.000 0.468 38 K N 1.353 121.750 120.400 -0.004 0.000 2.270 38 K HA 0.011 4.331 4.320 -0.000 0.000 0.276 38 K C -0.513 176.116 176.600 0.049 0.000 1.023 38 K CA -0.252 56.052 56.287 0.029 0.000 0.955 38 K CB 0.252 32.757 32.500 0.008 0.000 0.975 38 K HN 0.017 nan 8.250 nan 0.000 0.471 39 Y N 3.330 123.608 120.300 -0.036 0.000 2.568 39 Y HA 0.193 4.743 4.550 -0.000 0.000 0.338 39 Y C -0.776 175.093 175.900 -0.051 0.000 1.245 39 Y CA -0.876 57.197 58.100 -0.045 0.000 1.667 39 Y CB -0.122 38.320 38.460 -0.030 0.000 1.568 39 Y HN 0.241 nan 8.280 nan 0.000 0.471 40 V N 5.932 125.656 119.914 -0.316 0.000 2.427 40 V HA 0.362 4.482 4.120 -0.000 0.000 0.268 40 V C 0.674 176.411 176.094 -0.594 0.000 1.046 40 V CA -0.388 61.687 62.300 -0.374 0.000 0.970 40 V CB 0.014 31.727 31.823 -0.183 0.000 1.001 40 V HN 0.868 nan 8.190 nan 0.000 0.476 41 A N 4.715 127.069 122.820 -0.776 0.000 2.488 41 A HA 0.412 4.732 4.320 -0.000 0.000 0.249 41 A C 0.768 178.097 177.584 -0.426 0.000 1.083 41 A CA -0.063 51.485 52.037 -0.816 0.000 0.768 41 A CB -0.168 18.255 19.000 -0.963 0.000 1.017 41 A HN 0.805 nan 8.150 nan 0.000 0.496 42 T N 2.558 116.954 114.554 -0.264 0.000 2.919 42 T HA 0.407 4.757 4.350 -0.000 0.000 0.302 42 T C -0.177 174.523 174.700 0.000 0.000 1.031 42 T CA 0.368 62.416 62.100 -0.086 0.000 1.127 42 T CB 0.170 69.029 68.868 -0.015 0.000 0.952 42 T HN 0.375 nan 8.240 nan 0.000 0.540 43 L N 3.239 124.523 121.223 0.101 0.000 2.366 43 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 43 L C 1.121 178.099 176.870 0.181 0.000 1.010 43 L CA -0.001 54.989 54.840 0.251 0.000 0.879 43 L CB 0.763 42.978 42.059 0.260 0.000 1.228 43 L HN 0.990 nan 8.230 nan 0.000 0.439 44 G N 2.149 111.087 108.800 0.229 0.000 4.315 44 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.280 44 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.280 44 G C -0.314 174.601 174.900 0.025 0.000 1.649 44 G CA 0.117 45.364 45.100 0.244 0.000 1.108 44 G HN 0.703 nan 8.290 nan 0.000 0.667 45 V N 0.631 120.453 119.914 -0.153 0.000 3.167 45 V HA 0.683 4.803 4.120 -0.000 0.000 0.293 45 V C -1.948 173.990 176.094 -0.261 0.000 1.379 45 V CA -0.499 61.621 62.300 -0.300 0.000 1.019 45 V CB 2.086 33.501 31.823 -0.679 0.000 1.115 45 V HN 0.730 nan 8.190 nan 0.000 0.442 46 E N 3.404 123.417 120.200 -0.311 0.000 2.279 46 E HA 0.389 4.739 4.350 -0.000 0.000 0.252 46 E C -1.123 175.020 176.600 -0.762 0.000 0.894 46 E CA -0.291 55.835 56.400 -0.457 0.000 0.785 46 E CB 2.030 31.532 29.700 -0.331 0.000 1.237 46 E HN 0.532 nan 8.360 nan 0.000 0.418 47 V N 4.536 123.967 119.914 -0.804 0.000 2.508 47 V HA 0.147 4.267 4.120 -0.000 0.000 0.281 47 V C 0.029 175.723 176.094 -0.667 0.000 1.041 47 V CA -0.076 61.695 62.300 -0.881 0.000 1.016 47 V CB 0.369 31.503 31.823 -1.149 0.000 0.984 47 V HN 0.478 nan 8.190 nan 0.000 0.478 48 H N 4.946 123.901 119.070 -0.192 0.000 2.589 48 H HA 0.475 5.031 4.556 -0.000 0.000 0.351 48 H C -2.683 172.630 175.328 -0.026 0.000 1.074 48 H CA -2.401 53.593 56.048 -0.091 0.000 1.203 48 H CB 2.325 32.057 29.762 -0.050 0.000 1.558 48 H HN 0.403 nan 8.280 nan 0.000 0.522 49 P HA 0.321 nan 4.420 nan 0.000 0.290 49 P C -0.547 176.787 177.300 0.056 0.000 1.276 49 P CA -0.497 62.654 63.100 0.085 0.000 0.808 49 P CB 1.359 33.079 31.700 0.033 0.000 0.966 50 L N 3.039 124.324 121.223 0.104 0.000 2.409 50 L HA 0.483 4.823 4.340 -0.000 0.000 0.272 50 L C -0.485 176.348 176.870 -0.061 0.000 0.980 50 L CA -1.111 53.703 54.840 -0.044 0.000 0.826 50 L CB 2.326 44.366 42.059 -0.032 0.000 1.268 50 L HN 0.060 nan 8.230 nan 0.000 0.407 51 V N 2.727 122.449 119.914 -0.320 0.000 2.547 51 V HA 0.472 4.592 4.120 -0.000 0.000 0.299 51 V C -0.763 174.958 176.094 -0.621 0.000 1.040 51 V CA -0.396 61.714 62.300 -0.316 0.000 0.913 51 V CB 1.790 33.434 31.823 -0.298 0.000 0.992 51 V HN 0.415 nan 8.190 nan 0.000 0.449 52 F N 2.215 121.980 119.950 -0.309 0.000 2.610 52 F HA 0.420 4.947 4.527 -0.000 0.000 0.355 52 F C 0.135 175.726 175.800 -0.347 0.000 1.140 52 F CA -0.597 57.149 58.000 -0.424 0.000 1.037 52 F CB 0.964 39.518 39.000 -0.742 0.000 1.287 52 F HN 0.546 nan 8.300 nan 0.000 0.457 53 H N 0.968 120.013 119.070 -0.042 0.000 3.160 53 H HA 0.247 4.803 4.556 -0.000 0.000 0.257 53 H C 0.744 176.116 175.328 0.073 0.000 1.140 53 H CA -0.184 55.872 56.048 0.014 0.000 1.492 53 H CB 0.088 29.847 29.762 -0.005 0.000 1.529 53 H HN 0.558 nan 8.280 nan 0.000 0.490 54 T N -0.724 113.939 114.554 0.183 0.000 2.852 54 T HA 0.017 4.367 4.350 -0.000 0.000 0.281 54 T C 1.577 176.390 174.700 0.189 0.000 0.993 54 T CA -0.840 61.408 62.100 0.247 0.000 0.933 54 T CB 0.798 69.844 68.868 0.298 0.000 1.187 54 T HN 0.683 nan 8.240 nan 0.000 0.559 55 N N 0.154 118.961 118.700 0.177 0.000 2.573 55 N HA -0.095 4.645 4.740 -0.000 0.000 0.187 55 N C 0.825 176.398 175.510 0.104 0.000 1.107 55 N CA 0.242 53.367 53.050 0.124 0.000 0.918 55 N CB -0.131 38.420 38.487 0.108 0.000 0.966 55 N HN 0.476 nan 8.380 nan 0.000 0.448 56 R N 0.143 120.713 120.500 0.116 0.000 2.577 56 R HA 0.315 4.655 4.340 -0.000 0.000 0.344 56 R C 0.581 176.932 176.300 0.084 0.000 1.037 56 R CA 0.390 56.544 56.100 0.091 0.000 1.102 56 R CB 0.662 31.016 30.300 0.090 0.000 1.313 56 R HN 0.357 nan 8.270 nan 0.000 0.561 57 G N 1.764 110.620 108.800 0.094 0.000 2.434 57 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.671 57 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.671 57 G C -3.160 171.772 174.900 0.052 0.000 1.280 57 G CA -1.213 43.931 45.100 0.073 0.000 0.975 57 G HN -0.103 nan 8.290 nan 0.000 0.510 58 P HA 0.641 nan 4.420 nan 0.000 0.275 58 P C -0.379 176.883 177.300 -0.063 0.000 1.228 58 P CA -0.342 62.675 63.100 -0.138 0.000 0.786 58 P CB 0.815 32.377 31.700 -0.229 0.000 0.927 59 I N 1.974 122.522 120.570 -0.037 0.000 2.569 59 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 59 I C 0.061 176.205 176.117 0.045 0.000 1.088 59 I CA -0.879 60.443 61.300 0.037 0.000 1.047 59 I CB 1.822 39.931 38.000 0.182 0.000 1.237 59 I HN 0.251 nan 8.210 nan 0.000 0.421 60 K N 4.640 125.018 120.400 -0.036 0.000 2.208 60 K HA 0.633 4.953 4.320 -0.000 0.000 0.247 60 K C -1.863 174.746 176.600 0.014 0.000 0.953 60 K CA -0.526 55.773 56.287 0.020 0.000 0.837 60 K CB 1.972 34.452 32.500 -0.033 0.000 1.131 60 K HN 0.318 nan 8.250 nan 0.000 0.431 61 F N 2.042 122.145 119.950 0.255 0.000 2.539 61 F HA 0.282 4.809 4.527 -0.000 0.000 0.328 61 F C -0.044 175.905 175.800 0.250 0.000 1.148 61 F CA -0.922 57.276 58.000 0.330 0.000 0.940 61 F CB 1.482 40.757 39.000 0.457 0.000 1.194 61 F HN 0.295 nan 8.300 nan 0.000 0.438 62 N N 3.497 122.455 118.700 0.430 0.000 2.437 62 N HA 0.287 5.027 4.740 -0.000 0.000 0.243 62 N C -0.858 174.902 175.510 0.417 0.000 1.041 62 N CA -0.083 53.160 53.050 0.322 0.000 0.940 62 N CB 1.717 40.399 38.487 0.324 0.000 1.133 62 N HN 0.180 nan 8.380 nan 0.000 0.506 63 V N 2.845 122.918 119.914 0.264 0.000 2.370 63 V HA 0.258 4.378 4.120 -0.000 0.000 0.279 63 V C -0.426 175.725 176.094 0.094 0.000 1.029 63 V CA -0.754 61.715 62.300 0.283 0.000 0.870 63 V CB 0.640 32.629 31.823 0.276 0.000 0.984 63 V HN 0.532 nan 8.190 nan 0.000 0.451 64 W N 3.170 124.507 121.300 0.061 0.000 2.316 64 W HA 0.381 5.041 4.660 -0.000 0.000 0.339 64 W C 0.289 176.792 176.519 -0.026 0.000 1.002 64 W CA -0.747 56.590 57.345 -0.014 0.000 1.465 64 W CB 0.657 30.138 29.460 0.035 0.000 1.300 64 W HN 0.593 nan 8.180 nan 0.000 0.378 65 D N 2.995 123.411 120.400 0.026 0.000 2.483 65 D HA 0.065 4.705 4.640 -0.000 0.000 0.220 65 D C 0.344 176.654 176.300 0.017 0.000 1.173 65 D CA -0.037 53.986 54.000 0.038 0.000 0.964 65 D CB 0.360 41.169 40.800 0.016 0.000 1.046 65 D HN 0.159 nan 8.370 nan 0.000 0.517 66 T N 0.551 115.154 114.554 0.081 0.000 2.856 66 T HA 0.579 4.929 4.350 -0.000 0.000 0.292 66 T C 0.412 175.177 174.700 0.107 0.000 0.980 66 T CA -1.020 61.148 62.100 0.113 0.000 1.091 66 T CB 1.551 70.602 68.868 0.304 0.000 0.936 66 T HN 0.326 nan 8.240 nan 0.000 0.503 67 A N 2.520 125.428 122.820 0.147 0.000 2.404 67 A HA 0.583 4.903 4.320 -0.000 0.000 0.273 67 A C 1.326 179.041 177.584 0.218 0.000 1.144 67 A CA -0.376 51.751 52.037 0.149 0.000 0.806 67 A CB -0.218 18.884 19.000 0.169 0.000 1.080 67 A HN 1.200 nan 8.150 nan 0.000 0.509 68 G N 1.565 110.462 108.800 0.162 0.000 3.371 68 G HA2 0.134 4.094 3.960 -0.000 0.000 0.248 68 G HA3 0.134 4.094 3.960 -0.000 0.000 0.248 68 G C 0.487 175.625 174.900 0.398 0.000 1.161 68 G CA -0.119 45.157 45.100 0.293 0.000 0.796 68 G HN 0.635 nan 8.290 nan 0.000 0.539 69 Q N 0.726 120.705 119.800 0.297 0.000 2.304 69 Q HA 0.135 4.475 4.340 -0.000 0.000 0.260 69 Q C 1.216 177.437 176.000 0.367 0.000 0.965 69 Q CA -0.220 55.760 55.803 0.295 0.000 0.898 69 Q CB 1.668 30.500 28.738 0.156 0.000 1.196 69 Q HN 0.355 nan 8.270 nan 0.000 0.402 70 E N 3.198 123.579 120.200 0.302 0.000 2.086 70 E HA -0.216 4.134 4.350 -0.000 0.000 0.205 70 E C 0.177 176.911 176.600 0.223 0.000 1.027 70 E CA 1.827 58.363 56.400 0.227 0.000 0.830 70 E CB 0.298 30.093 29.700 0.158 0.000 0.751 70 E HN 0.264 nan 8.360 nan 0.000 0.456 71 K N -0.740 119.825 120.400 0.275 0.000 2.684 71 K HA 0.100 4.420 4.320 -0.000 0.000 0.215 71 K C -0.235 176.343 176.600 -0.036 0.000 1.073 71 K CA 0.032 56.380 56.287 0.101 0.000 1.197 71 K CB 0.061 32.567 32.500 0.011 0.000 0.955 71 K HN 0.210 nan 8.250 nan 0.000 0.473 72 F N -1.378 118.637 119.950 0.108 0.000 3.021 72 F HA 0.176 4.703 4.527 -0.000 0.000 0.376 72 F C 1.166 177.053 175.800 0.144 0.000 1.075 72 F CA -0.638 57.427 58.000 0.110 0.000 1.073 72 F CB 0.576 39.639 39.000 0.105 0.000 1.243 72 F HN -0.068 nan 8.300 nan 0.000 0.540 73 G N 0.267 109.268 108.800 0.335 0.000 2.467 73 G HA2 0.430 4.390 3.960 -0.000 0.000 0.257 73 G HA3 0.430 4.390 3.960 -0.000 0.000 0.257 73 G C 0.738 175.791 174.900 0.255 0.000 1.227 73 G CA 0.258 45.555 45.100 0.329 0.000 0.835 73 G HN 0.270 nan 8.290 nan 0.000 0.556 74 G N 0.487 109.495 108.800 0.346 0.000 2.682 74 G HA2 0.116 4.076 3.960 -0.000 0.000 0.221 74 G HA3 0.116 4.076 3.960 -0.000 0.000 0.221 74 G C 1.310 176.190 174.900 -0.032 0.000 1.386 74 G CA -0.023 45.209 45.100 0.220 0.000 0.909 74 G HN 0.431 nan 8.290 nan 0.000 0.558 75 L N 0.306 121.297 121.223 -0.386 0.000 2.509 75 L HA 0.312 4.652 4.340 -0.000 0.000 0.222 75 L C 1.923 178.447 176.870 -0.576 0.000 1.123 75 L CA 0.421 54.915 54.840 -0.577 0.000 0.856 75 L CB -0.202 41.368 42.059 -0.814 0.000 0.985 75 L HN 0.261 nan 8.230 nan 0.000 0.456 76 R N 0.019 120.233 120.500 -0.478 0.000 3.852 76 R HA -0.367 3.973 4.340 -0.000 0.000 0.396 76 R C 1.373 177.230 176.300 -0.739 0.000 0.269 76 R CA 2.335 58.278 56.100 -0.262 0.000 1.262 76 R CB -1.878 28.372 30.300 -0.084 0.000 0.922 76 R HN 0.226 nan 8.270 nan 0.000 0.581 77 D N -0.365 119.624 120.400 -0.684 0.000 2.203 77 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 77 D C 1.787 177.705 176.300 -0.636 0.000 0.997 77 D CA 1.740 55.260 54.000 -0.799 0.000 0.863 77 D CB -0.501 40.107 40.800 -0.320 0.000 0.928 77 D HN 0.629 nan 8.370 nan 0.000 0.458 78 G N -0.530 107.943 108.800 -0.545 0.000 2.443 78 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 78 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 78 G C 0.877 175.567 174.900 -0.349 0.000 1.131 78 G CA 0.349 45.201 45.100 -0.413 0.000 0.775 78 G HN 0.271 nan 8.290 nan 0.000 0.547 79 Y N -0.284 119.877 120.300 -0.233 0.000 2.516 79 Y HA 0.106 4.656 4.550 -0.000 0.000 0.291 79 Y C 1.898 177.716 175.900 -0.136 0.000 1.131 79 Y CA -0.532 57.458 58.100 -0.184 0.000 1.281 79 Y CB -0.317 38.185 38.460 0.069 0.000 1.013 79 Y HN 0.248 nan 8.280 nan 0.000 0.554 80 Y N -0.329 119.952 120.300 -0.030 0.000 2.578 80 Y HA 0.128 4.678 4.550 -0.000 0.000 0.297 80 Y C 0.890 176.717 175.900 -0.122 0.000 1.176 80 Y CA -1.190 56.872 58.100 -0.063 0.000 1.315 80 Y CB -1.278 37.181 38.460 -0.001 0.000 1.031 80 Y HN -0.029 nan 8.280 nan 0.000 0.524 81 I N 1.254 121.799 120.570 -0.041 0.000 2.618 81 I HA -0.128 4.042 4.170 -0.000 0.000 0.284 81 I C 0.858 176.922 176.117 -0.088 0.000 1.146 81 I CA 0.435 61.697 61.300 -0.063 0.000 1.425 81 I CB 0.334 38.286 38.000 -0.080 0.000 1.383 81 I HN 0.205 nan 8.210 nan 0.000 0.562 82 Q N 2.950 122.728 119.800 -0.036 0.000 2.411 82 Q HA -0.248 4.092 4.340 -0.000 0.000 0.305 82 Q C -0.107 175.879 176.000 -0.022 0.000 1.273 82 Q CA 0.371 56.162 55.803 -0.020 0.000 0.895 82 Q CB -0.981 27.748 28.738 -0.015 0.000 1.198 82 Q HN 0.747 nan 8.270 nan 0.000 0.470 83 A N 0.661 123.468 122.820 -0.021 0.000 2.322 83 A HA 0.289 4.609 4.320 -0.000 0.000 0.269 83 A C 1.060 178.670 177.584 0.042 0.000 1.094 83 A CA -0.074 51.961 52.037 -0.002 0.000 0.807 83 A CB 0.448 19.440 19.000 -0.013 0.000 1.047 83 A HN 0.446 nan 8.150 nan 0.000 0.487 84 Q N -0.279 119.573 119.800 0.087 0.000 2.214 84 Q HA 0.296 4.636 4.340 -0.000 0.000 0.229 84 Q C 0.022 176.061 176.000 0.065 0.000 0.835 84 Q CA 0.399 56.258 55.803 0.094 0.000 0.953 84 Q CB 0.063 28.904 28.738 0.171 0.000 1.131 84 Q HN 1.046 nan 8.270 nan 0.000 0.501 85 C N -1.479 117.869 119.300 0.080 0.000 3.302 85 C HA 0.934 5.394 4.460 -0.000 0.000 0.347 85 C C -1.320 173.703 174.990 0.055 0.000 1.218 85 C CA -0.569 58.488 59.018 0.065 0.000 1.234 85 C CB 1.286 29.076 27.740 0.084 0.000 1.551 85 C HN 0.383 nan 8.230 nan 0.000 0.501 86 A N 1.696 124.530 122.820 0.023 0.000 2.572 86 A HA 0.918 5.238 4.320 -0.000 0.000 0.295 86 A C -1.428 176.136 177.584 -0.033 0.000 1.072 86 A CA -0.590 51.437 52.037 -0.017 0.000 0.691 86 A CB 1.191 20.156 19.000 -0.059 0.000 1.291 86 A HN 1.130 nan 8.150 nan 0.000 0.404 87 I N 1.819 122.347 120.570 -0.070 0.000 2.418 87 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 87 I C -0.946 175.121 176.117 -0.083 0.000 1.008 87 I CA -0.285 60.959 61.300 -0.094 0.000 1.104 87 I CB 1.702 39.601 38.000 -0.168 0.000 1.264 87 I HN 0.493 nan 8.210 nan 0.000 0.438 88 I N 6.803 127.354 120.570 -0.032 0.000 2.312 88 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 88 I C -0.159 175.965 176.117 0.012 0.000 1.008 88 I CA -0.157 61.131 61.300 -0.020 0.000 1.226 88 I CB 1.275 39.337 38.000 0.105 0.000 1.371 88 I HN 0.514 nan 8.210 nan 0.000 0.468 89 M N 7.860 127.417 119.600 -0.072 0.000 2.436 89 M HA 0.615 5.095 4.480 -0.000 0.000 0.331 89 M C -1.290 175.069 176.300 0.098 0.000 1.135 89 M CA -0.566 54.709 55.300 -0.041 0.000 0.987 89 M CB 1.727 34.230 32.600 -0.163 0.000 1.687 89 M HN 0.549 nan 8.290 nan 0.000 0.445 90 F N 0.213 120.150 119.950 -0.022 0.000 2.664 90 F HA 0.702 5.229 4.527 -0.000 0.000 0.317 90 F C -1.401 174.422 175.800 0.038 0.000 1.108 90 F CA -1.190 56.825 58.000 0.024 0.000 0.957 90 F CB 0.941 39.995 39.000 0.090 0.000 1.365 90 F HN 0.362 nan 8.300 nan 0.000 0.475 91 D N 0.813 121.280 120.400 0.112 0.000 2.168 91 D HA 0.315 4.955 4.640 -0.000 0.000 0.246 91 D C 0.830 177.194 176.300 0.108 0.000 1.050 91 D CA -0.527 53.477 54.000 0.006 0.000 0.857 91 D CB 2.282 43.106 40.800 0.040 0.000 1.169 91 D HN 0.632 nan 8.370 nan 0.000 0.453 92 V N 1.372 121.290 119.914 0.006 0.000 3.217 92 V HA -0.023 4.097 4.120 -0.000 0.000 0.264 92 V C 1.477 177.611 176.094 0.067 0.000 1.135 92 V CA 1.280 63.625 62.300 0.075 0.000 1.142 92 V CB -0.750 31.090 31.823 0.028 0.000 0.754 92 V HN 0.525 nan 8.190 nan 0.000 0.484 93 T N 0.059 114.643 114.554 0.050 0.000 2.985 93 T HA 0.010 4.360 4.350 -0.000 0.000 0.266 93 T C 1.107 175.840 174.700 0.054 0.000 1.076 93 T CA 1.458 63.583 62.100 0.041 0.000 1.135 93 T CB -0.109 68.775 68.868 0.026 0.000 0.890 93 T HN 0.557 nan 8.240 nan 0.000 0.480 94 S N 0.696 116.444 115.700 0.081 0.000 2.448 94 S HA 0.336 4.806 4.470 -0.000 0.000 0.320 94 S C 1.069 175.743 174.600 0.124 0.000 1.071 94 S CA -0.888 57.364 58.200 0.086 0.000 1.113 94 S CB 0.648 63.897 63.200 0.081 0.000 0.972 94 S HN 0.208 nan 8.310 nan 0.000 0.465 95 R N 2.773 123.328 120.500 0.091 0.000 2.105 95 R HA -0.095 4.245 4.340 -0.000 0.000 0.239 95 R C 1.912 178.275 176.300 0.104 0.000 1.135 95 R CA 1.752 57.907 56.100 0.091 0.000 0.967 95 R CB -0.685 29.646 30.300 0.052 0.000 0.861 95 R HN 0.633 nan 8.270 nan 0.000 0.442 96 V N 1.052 121.015 119.914 0.082 0.000 2.380 96 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 96 V C 2.540 178.684 176.094 0.084 0.000 1.063 96 V CA 2.358 64.698 62.300 0.066 0.000 1.055 96 V CB -1.250 30.607 31.823 0.057 0.000 0.657 96 V HN 0.556 nan 8.190 nan 0.000 0.455 97 T N -2.464 112.175 114.554 0.143 0.000 2.951 97 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 97 T C 1.810 176.574 174.700 0.106 0.000 1.073 97 T CA 1.540 63.754 62.100 0.191 0.000 1.134 97 T CB -0.544 68.494 68.868 0.283 0.000 0.884 97 T HN 0.522 nan 8.240 nan 0.000 0.479 98 Y N 2.014 122.248 120.300 -0.110 0.000 2.395 98 Y HA 0.236 4.786 4.550 0.000 0.000 0.293 98 Y C 2.213 177.921 175.900 -0.320 0.000 1.123 98 Y CA 0.623 58.437 58.100 -0.476 0.000 1.227 98 Y CB -0.053 38.090 38.460 -0.527 0.000 1.012 98 Y HN 0.093 nan 8.280 nan 0.000 0.552 99 K N -0.184 120.141 120.400 -0.126 0.000 2.148 99 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 99 K C 1.001 177.456 176.600 -0.242 0.000 1.050 99 K CA 1.211 57.398 56.287 -0.167 0.000 0.942 99 K CB -0.067 32.397 32.500 -0.061 0.000 0.724 99 K HN 0.267 nan 8.250 nan 0.000 0.446 100 N N 0.362 118.958 118.700 -0.174 0.000 2.336 100 N HA -0.006 4.734 4.740 -0.000 0.000 0.189 100 N C 1.400 176.830 175.510 -0.133 0.000 1.113 100 N CA 0.191 53.150 53.050 -0.152 0.000 0.858 100 N CB 0.398 38.873 38.487 -0.020 0.000 0.970 100 N HN -0.092 nan 8.380 nan 0.000 0.471 101 V N 1.974 121.714 119.914 -0.290 0.000 2.295 101 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 101 V C -0.705 175.121 176.094 -0.446 0.000 1.049 101 V CA 1.776 63.887 62.300 -0.314 0.000 1.024 101 V CB -1.033 30.368 31.823 -0.703 0.000 0.648 101 V HN 0.180 nan 8.190 nan 0.000 0.447 102 P HA -0.090 nan 4.420 nan 0.000 0.219 102 P C 0.958 178.143 177.300 -0.193 0.000 1.146 102 P CA 1.271 63.991 63.100 -0.633 0.000 0.808 102 P CB -0.125 31.238 31.700 -0.562 0.000 0.779 103 N N -1.408 117.148 118.700 -0.241 0.000 2.080 103 N HA -0.147 4.593 4.740 -0.000 0.000 0.189 103 N C 1.441 176.855 175.510 -0.160 0.000 1.036 103 N CA 1.193 54.092 53.050 -0.252 0.000 0.846 103 N CB -1.058 37.154 38.487 -0.458 0.000 1.015 103 N HN 0.239 nan 8.380 nan 0.000 0.423 104 W N 0.313 121.600 121.300 -0.022 0.000 2.342 104 W HA -0.141 4.519 4.660 -0.000 0.000 0.297 104 W C 2.411 178.950 176.519 0.034 0.000 1.213 104 W CA 1.206 58.563 57.345 0.020 0.000 1.251 104 W CB -0.513 28.952 29.460 0.008 0.000 1.136 104 W HN 0.332 nan 8.180 nan 0.000 0.526 105 H N 0.195 119.369 119.070 0.174 0.000 2.353 105 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 105 H C 2.489 177.889 175.328 0.119 0.000 1.090 105 H CA 1.901 58.045 56.048 0.160 0.000 1.327 105 H CB -0.094 29.831 29.762 0.271 0.000 1.383 105 H HN -0.209 nan 8.280 nan 0.000 0.508 106 R N 0.496 121.073 120.500 0.128 0.000 2.115 106 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 106 R C 1.058 177.367 176.300 0.015 0.000 1.111 106 R CA 1.572 57.709 56.100 0.062 0.000 0.976 106 R CB -0.235 30.102 30.300 0.062 0.000 0.870 106 R HN 0.460 nan 8.270 nan 0.000 0.445 107 D N 0.498 120.932 120.400 0.057 0.000 2.144 107 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 107 D C 1.968 178.361 176.300 0.156 0.000 0.978 107 D CA 0.797 54.878 54.000 0.134 0.000 0.833 107 D CB -0.011 40.931 40.800 0.236 0.000 0.961 107 D HN 0.214 nan 8.370 nan 0.000 0.470 108 L N 0.292 121.524 121.223 0.015 0.000 2.034 108 L HA -0.090 4.250 4.340 -0.000 0.000 0.203 108 L C 2.530 179.350 176.870 -0.084 0.000 1.074 108 L CA 0.643 55.424 54.840 -0.098 0.000 0.748 108 L CB -0.385 41.546 42.059 -0.214 0.000 0.905 108 L HN -0.010 nan 8.230 nan 0.000 0.439 109 V N -2.342 117.462 119.914 -0.183 0.000 2.720 109 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 109 V C 2.560 178.624 176.094 -0.051 0.000 1.082 109 V CA 1.498 63.712 62.300 -0.143 0.000 1.101 109 V CB -0.834 30.858 31.823 -0.217 0.000 0.693 109 V HN 0.339 nan 8.190 nan 0.000 0.479 110 R N 0.786 121.273 120.500 -0.023 0.000 2.066 110 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 110 R C 2.135 178.449 176.300 0.022 0.000 1.131 110 R CA 2.036 58.140 56.100 0.007 0.000 0.955 110 R CB -1.130 29.181 30.300 0.019 0.000 0.851 110 R HN 0.411 nan 8.270 nan 0.000 0.432 111 V N -0.409 119.538 119.914 0.054 0.000 2.358 111 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 111 V C 0.685 176.807 176.094 0.046 0.000 1.047 111 V CA 1.554 63.894 62.300 0.067 0.000 1.035 111 V CB -0.278 31.639 31.823 0.157 0.000 0.658 111 V HN 0.629 nan 8.190 nan 0.000 0.452 112 C N 0.673 119.994 119.300 0.034 0.000 2.660 112 C HA 0.658 5.118 4.460 -0.000 0.000 0.336 112 C C -0.185 174.804 174.990 -0.002 0.000 1.058 112 C CA -1.518 57.510 59.018 0.017 0.000 1.368 112 C CB -0.281 27.472 27.740 0.021 0.000 1.884 112 C HN 0.654 nan 8.230 nan 0.000 0.454 113 E N 1.362 121.562 120.200 -0.000 0.000 2.349 113 E HA 0.508 4.858 4.350 -0.000 0.000 0.265 113 E C 0.028 176.629 176.600 0.002 0.000 1.064 113 E CA -0.550 55.846 56.400 -0.005 0.000 0.886 113 E CB 0.315 30.015 29.700 -0.000 0.000 1.036 113 E HN 0.592 nan 8.360 nan 0.000 0.413 114 N N -0.680 118.023 118.700 0.005 0.000 2.818 114 N HA -0.164 4.576 4.740 -0.000 0.000 0.250 114 N C -1.000 174.518 175.510 0.013 0.000 1.108 114 N CA 1.135 54.192 53.050 0.012 0.000 0.745 114 N CB -1.659 36.834 38.487 0.009 0.000 1.104 114 N HN 0.648 nan 8.380 nan 0.000 0.557 115 I N -2.293 118.286 120.570 0.015 0.000 2.428 115 I HA 0.605 4.775 4.170 -0.000 0.000 0.296 115 I C -1.883 174.260 176.117 0.043 0.000 0.985 115 I CA -2.099 59.212 61.300 0.019 0.000 1.260 115 I CB 1.082 39.092 38.000 0.016 0.000 1.389 115 I HN -0.178 nan 8.210 nan 0.000 0.484 116 P HA 0.215 nan 4.420 nan 0.000 0.262 116 P C -0.789 176.617 177.300 0.176 0.000 1.199 116 P CA 0.464 63.638 63.100 0.122 0.000 0.763 116 P CB 0.573 32.275 31.700 0.003 0.000 0.790 117 I N 3.101 123.809 120.570 0.229 0.000 2.433 117 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 117 I C 0.026 176.208 176.117 0.108 0.000 1.001 117 I CA -1.221 60.174 61.300 0.158 0.000 1.119 117 I CB 2.352 40.437 38.000 0.141 0.000 1.289 117 I HN 0.014 nan 8.210 nan 0.000 0.438 118 V N 6.250 126.180 119.914 0.027 0.000 2.459 118 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 118 V C -0.263 175.794 176.094 -0.061 0.000 1.029 118 V CA -0.672 61.552 62.300 -0.125 0.000 0.874 118 V CB 1.961 33.703 31.823 -0.134 0.000 0.985 118 V HN 0.419 nan 8.190 nan 0.000 0.438 119 L N 5.505 126.711 121.223 -0.028 0.000 2.357 119 L HA 0.683 5.023 4.340 -0.000 0.000 0.273 119 L C -0.562 176.383 176.870 0.125 0.000 1.080 119 L CA 0.356 55.284 54.840 0.146 0.000 0.803 119 L CB 1.228 43.460 42.059 0.288 0.000 1.174 119 L HN 0.785 nan 8.230 nan 0.000 0.443 120 C N 3.580 122.968 119.300 0.147 0.000 2.599 120 C HA 0.634 5.094 4.460 -0.000 0.000 0.354 120 C C 0.364 175.180 174.990 -0.289 0.000 1.092 120 C CA -1.029 57.923 59.018 -0.109 0.000 1.280 120 C CB 0.818 28.394 27.740 -0.274 0.000 1.829 120 C HN 1.008 nan 8.230 nan 0.000 0.454 121 G N 2.804 111.400 108.800 -0.341 0.000 2.350 121 G HA2 0.427 4.387 3.960 -0.000 0.000 0.306 121 G HA3 0.427 4.387 3.960 -0.000 0.000 0.306 121 G C -0.454 174.183 174.900 -0.440 0.000 1.094 121 G CA 0.070 44.653 45.100 -0.862 0.000 0.953 121 G HN 0.701 nan 8.290 nan 0.000 0.420 122 N N 1.220 119.667 118.700 -0.421 0.000 2.476 122 N HA 0.306 5.046 4.740 -0.000 0.000 0.275 122 N C 0.343 175.795 175.510 -0.096 0.000 1.190 122 N CA -0.457 52.471 53.050 -0.203 0.000 0.977 122 N CB 0.515 38.901 38.487 -0.168 0.000 1.200 122 N HN 0.522 nan 8.380 nan 0.000 0.515 123 K N -0.265 120.130 120.400 -0.008 0.000 3.239 123 K HA -0.104 4.216 4.320 -0.000 0.000 0.270 123 K C 0.478 177.091 176.600 0.021 0.000 1.083 123 K CA 0.632 56.938 56.287 0.031 0.000 0.782 123 K CB -2.288 30.231 32.500 0.031 0.000 1.290 123 K HN 0.409 nan 8.250 nan 0.000 0.474 124 V N -1.963 117.974 119.914 0.037 0.000 3.573 124 V HA -0.100 4.020 4.120 -0.000 0.000 0.270 124 V C 1.680 177.786 176.094 0.020 0.000 1.221 124 V CA 1.424 63.750 62.300 0.043 0.000 1.163 124 V CB -0.170 31.714 31.823 0.102 0.000 0.847 124 V HN 0.446 nan 8.190 nan 0.000 0.468 125 D N 0.437 120.845 120.400 0.014 0.000 2.349 125 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 125 D C 0.617 176.905 176.300 -0.019 0.000 1.029 125 D CA -0.084 53.906 54.000 -0.017 0.000 0.879 125 D CB -0.032 40.748 40.800 -0.032 0.000 0.906 125 D HN 0.527 nan 8.370 nan 0.000 0.528 126 I N 1.204 121.771 120.570 -0.005 0.000 2.315 126 I HA 0.046 4.216 4.170 -0.000 0.000 0.291 126 I C 1.330 177.445 176.117 -0.005 0.000 1.006 126 I CA -0.767 60.532 61.300 -0.003 0.000 1.265 126 I CB 1.238 39.244 38.000 0.010 0.000 1.387 126 I HN -0.273 nan 8.210 nan 0.000 0.475 127 K N 3.683 124.077 120.400 -0.009 0.000 2.203 127 K HA -0.284 4.036 4.320 -0.000 0.000 0.206 127 K C 0.262 176.857 176.600 -0.007 0.000 0.722 127 K CA 2.306 58.588 56.287 -0.009 0.000 1.026 127 K CB -0.439 32.057 32.500 -0.005 0.000 0.713 127 K HN 0.834 nan 8.250 nan 0.000 0.773 128 D N 0.414 120.813 120.400 -0.002 0.000 2.481 128 D HA 0.175 4.815 4.640 -0.000 0.000 0.246 128 D C -0.863 175.440 176.300 0.006 0.000 1.109 128 D CA -0.485 53.516 54.000 0.000 0.000 0.845 128 D CB 0.957 41.757 40.800 -0.000 0.000 1.160 128 D HN 0.094 nan 8.370 nan 0.000 0.534 129 R N 2.224 122.728 120.500 0.007 0.000 2.399 129 R HA 0.065 4.405 4.340 -0.000 0.000 0.324 129 R C 1.283 177.589 176.300 0.011 0.000 1.030 129 R CA -0.340 55.768 56.100 0.013 0.000 0.984 129 R CB 0.970 31.279 30.300 0.015 0.000 0.961 129 R HN 0.358 nan 8.270 nan 0.000 0.433 130 K N 1.553 121.964 120.400 0.018 0.000 2.097 130 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 130 K C 0.689 177.292 176.600 0.006 0.000 1.050 130 K CA 0.896 57.191 56.287 0.015 0.000 0.938 130 K CB 0.168 32.683 32.500 0.025 0.000 0.718 130 K HN 0.263 nan 8.250 nan 0.000 0.442 131 V N 3.900 123.825 119.914 0.018 0.000 2.356 131 V HA 0.084 4.204 4.120 -0.000 0.000 0.258 131 V C 0.350 176.425 176.094 -0.032 0.000 1.065 131 V CA -0.373 61.918 62.300 -0.014 0.000 0.935 131 V CB 0.111 31.971 31.823 0.062 0.000 1.061 131 V HN 0.105 nan 8.190 nan 0.000 0.484 132 K N 3.077 123.441 120.400 -0.060 0.000 2.401 132 K HA 0.321 4.641 4.320 -0.000 0.000 0.278 132 K C 1.393 177.956 176.600 -0.062 0.000 1.018 132 K CA 0.260 56.519 56.287 -0.045 0.000 0.981 132 K CB 1.058 33.532 32.500 -0.043 0.000 0.933 132 K HN 0.721 nan 8.250 nan 0.000 0.477 133 A N 3.680 126.488 122.820 -0.018 0.000 2.131 133 A HA -0.170 4.149 4.320 -0.000 0.000 0.220 133 A C 1.578 179.138 177.584 -0.041 0.000 1.158 133 A CA 1.451 53.484 52.037 -0.006 0.000 0.665 133 A CB -0.139 18.897 19.000 0.059 0.000 0.795 133 A HN 0.727 nan 8.150 nan 0.000 0.460 134 K N -0.202 120.171 120.400 -0.045 0.000 2.323 134 K HA -0.008 4.312 4.320 -0.000 0.000 0.197 134 K C 1.930 178.489 176.600 -0.068 0.000 1.043 134 K CA 0.892 57.156 56.287 -0.038 0.000 0.997 134 K CB 0.143 32.630 32.500 -0.021 0.000 0.807 134 K HN 0.622 nan 8.250 nan 0.000 0.497 135 S N 0.748 116.376 115.700 -0.120 0.000 2.489 135 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 135 S C 0.940 175.384 174.600 -0.260 0.000 0.995 135 S CA 0.094 58.196 58.200 -0.164 0.000 0.934 135 S CB -0.377 62.713 63.200 -0.184 0.000 0.771 135 S HN 0.124 nan 8.310 nan 0.000 0.522 136 I N 3.498 123.873 120.570 -0.325 0.000 2.453 136 I HA 0.049 4.219 4.170 -0.000 0.000 0.300 136 I C 0.768 176.898 176.117 0.020 0.000 1.159 136 I CA -0.285 60.822 61.300 -0.322 0.000 1.379 136 I CB 0.390 38.086 38.000 -0.507 0.000 1.460 136 I HN 0.187 nan 8.210 nan 0.000 0.601 137 V N 1.975 122.017 119.914 0.213 0.000 3.432 137 V HA 0.067 4.187 4.120 -0.000 0.000 0.298 137 V C 1.437 177.632 176.094 0.169 0.000 1.464 137 V CA -0.039 62.377 62.300 0.194 0.000 1.046 137 V CB -0.460 31.406 31.823 0.071 0.000 0.887 137 V HN 0.569 nan 8.190 nan 0.000 0.441 138 F N 3.719 123.764 119.950 0.160 0.000 2.113 138 F HA -0.119 4.408 4.527 -0.000 0.000 0.297 138 F C 2.723 178.476 175.800 -0.078 0.000 1.103 138 F CA 2.372 60.346 58.000 -0.043 0.000 1.248 138 F CB -0.403 38.464 39.000 -0.222 0.000 0.999 138 F HN 0.484 nan 8.300 nan 0.000 0.475 139 H N 0.347 119.305 119.070 -0.186 0.000 2.460 139 H HA -0.194 4.362 4.556 -0.000 0.000 0.297 139 H C 2.182 177.343 175.328 -0.279 0.000 1.103 139 H CA 1.897 57.799 56.048 -0.244 0.000 1.292 139 H CB -1.000 28.711 29.762 -0.085 0.000 1.376 139 H HN 0.387 nan 8.280 nan 0.000 0.531 140 R N 0.632 120.601 120.500 -0.886 0.000 2.161 140 R HA -0.009 4.331 4.340 -0.000 0.000 0.213 140 R C 2.261 178.318 176.300 -0.405 0.000 1.055 140 R CA 0.218 55.920 56.100 -0.663 0.000 0.996 140 R CB 0.181 30.132 30.300 -0.581 0.000 0.901 140 R HN 0.082 nan 8.270 nan 0.000 0.456 141 K N 0.378 120.529 120.400 -0.415 0.000 2.228 141 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 141 K C 0.744 177.101 176.600 -0.406 0.000 1.051 141 K CA 0.889 56.967 56.287 -0.348 0.000 0.960 141 K CB 0.408 32.726 32.500 -0.304 0.000 0.743 141 K HN -0.051 nan 8.250 nan 0.000 0.458 142 K N 1.061 121.105 120.400 -0.593 0.000 2.414 142 K HA 0.125 4.445 4.320 -0.000 0.000 0.204 142 K C -0.498 175.927 176.600 -0.291 0.000 1.026 142 K CA -0.159 55.822 56.287 -0.510 0.000 1.108 142 K CB 0.204 32.123 32.500 -0.968 0.000 0.855 142 K HN 0.189 nan 8.250 nan 0.000 0.517 143 N N 1.637 120.180 118.700 -0.261 0.000 2.688 143 N HA -0.224 4.516 4.740 -0.000 0.000 0.258 143 N C -0.729 174.738 175.510 -0.072 0.000 1.016 143 N CA 0.647 53.610 53.050 -0.146 0.000 0.747 143 N CB -1.300 37.142 38.487 -0.076 0.000 0.895 143 N HN 0.193 nan 8.380 nan 0.000 0.543 144 L N -0.193 120.963 121.223 -0.112 0.000 2.319 144 L HA 0.435 4.775 4.340 -0.000 0.000 0.267 144 L C 0.604 177.374 176.870 -0.166 0.000 1.011 144 L CA -0.967 53.831 54.840 -0.069 0.000 0.818 144 L CB 1.313 43.356 42.059 -0.028 0.000 1.316 144 L HN 0.032 nan 8.230 nan 0.000 0.432 145 Q N 0.668 120.169 119.800 -0.499 0.000 2.299 145 Q HA 0.246 4.586 4.340 -0.000 0.000 0.246 145 Q C -1.578 174.094 176.000 -0.548 0.000 0.935 145 Q CA 0.107 55.430 55.803 -0.800 0.000 0.887 145 Q CB 0.919 28.481 28.738 -1.961 0.000 1.223 145 Q HN 0.399 nan 8.270 nan 0.000 0.439 146 Y N 3.232 123.115 120.300 -0.694 0.000 2.468 146 Y HA 0.575 5.125 4.550 -0.000 0.000 0.342 146 Y C -1.824 173.555 175.900 -0.867 0.000 1.021 146 Y CA -1.088 56.632 58.100 -0.634 0.000 1.079 146 Y CB 1.271 39.312 38.460 -0.699 0.000 1.226 146 Y HN 0.664 nan 8.280 nan 0.000 0.460 147 Y N 4.040 123.590 120.300 -1.251 0.000 2.323 147 Y HA 0.200 4.750 4.550 -0.000 0.000 0.322 147 Y C -0.908 174.260 175.900 -1.220 0.000 1.133 147 Y CA -1.867 55.597 58.100 -1.059 0.000 1.093 147 Y CB 1.057 39.171 38.460 -0.576 0.000 1.203 147 Y HN 0.603 nan 8.280 nan 0.000 0.427 148 D N 4.147 124.018 120.400 -0.882 0.000 2.389 148 D HA 0.481 5.121 4.640 -0.000 0.000 0.247 148 D C 0.127 176.294 176.300 -0.221 0.000 1.128 148 D CA 0.108 53.904 54.000 -0.340 0.000 0.884 148 D CB 1.882 42.709 40.800 0.045 0.000 1.194 148 D HN 0.623 nan 8.370 nan 0.000 0.441 149 I N -3.158 117.329 120.570 -0.137 0.000 3.279 149 I HA 0.653 4.823 4.170 -0.000 0.000 0.315 149 I C -1.324 174.821 176.117 0.046 0.000 1.225 149 I CA -1.051 60.206 61.300 -0.073 0.000 0.947 149 I CB 2.437 40.358 38.000 -0.133 0.000 1.293 149 I HN 0.369 nan 8.210 nan 0.000 0.468 150 S N 0.931 116.720 115.700 0.148 0.000 2.572 150 S HA 0.731 5.201 4.470 -0.000 0.000 0.274 150 S C 0.121 174.888 174.600 0.279 0.000 1.150 150 S CA 0.070 58.374 58.200 0.173 0.000 0.944 150 S CB 1.887 65.168 63.200 0.135 0.000 1.071 150 S HN 1.063 nan 8.310 nan 0.000 0.479 151 A N 4.148 127.173 122.820 0.342 0.000 2.123 151 A HA 0.231 4.551 4.320 -0.000 0.000 0.214 151 A C 1.807 179.653 177.584 0.437 0.000 1.152 151 A CA 0.658 52.994 52.037 0.500 0.000 0.728 151 A CB -0.179 19.157 19.000 0.559 0.000 0.814 151 A HN 0.764 nan 8.150 nan 0.000 0.464 152 K N -1.041 119.446 120.400 0.145 0.000 2.202 152 K HA 0.048 4.368 4.320 -0.000 0.000 0.201 152 K C 2.074 178.559 176.600 -0.191 0.000 1.051 152 K CA 0.972 57.026 56.287 -0.389 0.000 0.977 152 K CB 0.063 32.106 32.500 -0.762 0.000 0.792 152 K HN 0.380 nan 8.250 nan 0.000 0.469 153 S N 0.420 116.091 115.700 -0.048 0.000 2.478 153 S HA -0.024 4.446 4.470 -0.000 0.000 0.222 153 S C 0.142 174.762 174.600 0.033 0.000 1.008 153 S CA 0.707 58.896 58.200 -0.017 0.000 0.928 153 S CB -0.194 63.019 63.200 0.021 0.000 0.781 153 S HN 0.445 nan 8.310 nan 0.000 0.518 154 N N -0.487 118.270 118.700 0.095 0.000 2.741 154 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 154 N C -0.718 174.927 175.510 0.226 0.000 1.112 154 N CA 0.992 54.118 53.050 0.127 0.000 0.750 154 N CB -2.197 36.183 38.487 -0.179 0.000 1.119 154 N HN 0.614 nan 8.380 nan 0.000 0.561 155 Y N 1.781 122.132 120.300 0.085 0.000 2.537 155 Y HA 0.184 4.734 4.550 -0.000 0.000 0.339 155 Y C 0.911 176.861 175.900 0.083 0.000 1.066 155 Y CA -0.060 58.075 58.100 0.059 0.000 1.357 155 Y CB -0.494 37.978 38.460 0.020 0.000 1.175 155 Y HN 0.315 nan 8.280 nan 0.000 0.525 156 N N 3.925 122.440 118.700 -0.307 0.000 2.741 156 N HA -0.368 4.372 4.740 -0.000 0.000 0.251 156 N C 0.858 176.376 175.510 0.015 0.000 1.112 156 N CA 0.757 53.623 53.050 -0.306 0.000 0.750 156 N CB -1.653 36.471 38.487 -0.605 0.000 1.119 156 N HN 0.762 nan 8.380 nan 0.000 0.561 157 F N 0.891 120.867 119.950 0.043 0.000 2.101 157 F HA -0.342 4.185 4.527 -0.000 0.000 0.298 157 F C 1.909 177.940 175.800 0.385 0.000 1.076 157 F CA 2.115 60.235 58.000 0.201 0.000 1.248 157 F CB 0.123 39.148 39.000 0.040 0.000 0.999 157 F HN 0.258 nan 8.300 nan 0.000 0.488 158 E N -1.215 119.109 120.200 0.207 0.000 2.526 158 E HA -0.024 4.326 4.350 -0.000 0.000 0.208 158 E C 1.736 178.402 176.600 0.110 0.000 0.997 158 E CA -0.285 56.257 56.400 0.237 0.000 0.961 158 E CB 0.263 30.169 29.700 0.343 0.000 1.030 158 E HN 0.267 nan 8.360 nan 0.000 0.483 159 K N 1.197 121.518 120.400 -0.131 0.000 2.074 159 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 159 K C -0.827 175.573 176.600 -0.334 0.000 1.048 159 K CA 1.340 57.321 56.287 -0.510 0.000 0.926 159 K CB -1.255 30.534 32.500 -1.187 0.000 0.713 159 K HN 0.236 nan 8.250 nan 0.000 0.444 160 P HA -0.117 nan 4.420 nan 0.000 0.215 160 P C 1.514 178.756 177.300 -0.095 0.000 1.157 160 P CA 1.246 64.368 63.100 0.037 0.000 0.859 160 P CB -0.220 31.427 31.700 -0.089 0.000 0.786 161 F N -0.267 119.593 119.950 -0.149 0.000 2.126 161 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 161 F C 2.497 178.136 175.800 -0.269 0.000 1.096 161 F CA 1.047 58.846 58.000 -0.335 0.000 1.255 161 F CB -1.537 37.162 39.000 -0.502 0.000 0.997 161 F HN -0.162 nan 8.300 nan 0.000 0.479 162 L N -1.046 120.040 121.223 -0.228 0.000 2.046 162 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 162 L C 2.099 178.809 176.870 -0.266 0.000 1.077 162 L CA 1.694 56.085 54.840 -0.747 0.000 0.747 162 L CB -0.877 40.743 42.059 -0.731 0.000 0.896 162 L HN 0.313 nan 8.230 nan 0.000 0.432 163 W N -0.490 120.696 121.300 -0.191 0.000 2.388 163 W HA -0.124 4.536 4.660 -0.000 0.000 0.294 163 W C 2.135 178.607 176.519 -0.078 0.000 1.212 163 W CA 1.564 58.865 57.345 -0.072 0.000 1.271 163 W CB -0.029 29.479 29.460 0.081 0.000 1.126 163 W HN 0.114 nan 8.180 nan 0.000 0.535 164 L N 0.132 121.408 121.223 0.088 0.000 2.005 164 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 164 L C 2.784 179.586 176.870 -0.112 0.000 1.072 164 L CA 1.425 56.245 54.840 -0.034 0.000 0.744 164 L CB -1.413 40.654 42.059 0.012 0.000 0.895 164 L HN 0.018 nan 8.230 nan 0.000 0.433 165 A N 0.132 122.983 122.820 0.052 0.000 1.903 165 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 165 A C 2.302 179.825 177.584 -0.102 0.000 1.191 165 A CA 2.145 54.237 52.037 0.092 0.000 0.638 165 A CB -0.588 18.609 19.000 0.327 0.000 0.823 165 A HN 0.273 nan 8.150 nan 0.000 0.451 166 R N -0.915 119.460 120.500 -0.207 0.000 2.120 166 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 166 R C 2.146 178.248 176.300 -0.329 0.000 1.123 166 R CA 1.806 57.751 56.100 -0.257 0.000 0.975 166 R CB -0.190 29.923 30.300 -0.313 0.000 0.866 166 R HN 0.538 nan 8.270 nan 0.000 0.446 167 K N -0.307 119.817 120.400 -0.460 0.000 2.128 167 K HA 0.111 4.431 4.320 -0.000 0.000 0.202 167 K C 1.660 178.080 176.600 -0.301 0.000 1.050 167 K CA 0.751 56.745 56.287 -0.488 0.000 0.966 167 K CB 0.037 32.078 32.500 -0.766 0.000 0.759 167 K HN 0.016 nan 8.250 nan 0.000 0.454 168 L N 0.454 121.491 121.223 -0.311 0.000 1.994 168 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 168 L C 2.106 178.892 176.870 -0.139 0.000 1.071 168 L CA 1.388 56.042 54.840 -0.309 0.000 0.745 168 L CB -0.419 41.190 42.059 -0.749 0.000 0.892 168 L HN 0.150 nan 8.230 nan 0.000 0.431 169 I N -0.341 120.170 120.570 -0.098 0.000 2.830 169 I HA -0.047 4.123 4.170 -0.000 0.000 0.263 169 I C 1.470 177.573 176.117 -0.023 0.000 1.230 169 I CA 0.715 62.023 61.300 0.013 0.000 1.480 169 I CB -0.656 37.380 38.000 0.061 0.000 1.095 169 I HN 0.498 nan 8.210 nan 0.000 0.455 170 G N 2.017 110.769 108.800 -0.079 0.000 2.198 170 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 170 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 170 G C -0.243 174.624 174.900 -0.056 0.000 1.042 170 G CA 0.397 45.452 45.100 -0.075 0.000 0.791 170 G HN 0.465 nan 8.290 nan 0.000 0.502 171 D N -0.730 119.634 120.400 -0.060 0.000 2.440 171 D HA 0.553 5.193 4.640 -0.000 0.000 0.252 171 D C -0.884 175.383 176.300 -0.056 0.000 1.180 171 D CA -2.143 51.835 54.000 -0.037 0.000 0.894 171 D CB 1.448 42.244 40.800 -0.006 0.000 1.111 171 D HN 0.033 nan 8.370 nan 0.000 0.544 172 P HA -0.026 nan 4.420 nan 0.000 0.220 172 P C 0.167 177.447 177.300 -0.033 0.000 1.148 172 P CA 0.854 63.920 63.100 -0.056 0.000 0.803 172 P CB 0.175 31.854 31.700 -0.035 0.000 0.782 173 N N -0.891 117.800 118.700 -0.016 0.000 2.449 173 N HA 0.037 4.777 4.740 -0.000 0.000 0.191 173 N C 0.147 175.662 175.510 0.007 0.000 1.161 173 N CA -0.291 52.759 53.050 0.000 0.000 0.863 173 N CB -0.403 38.090 38.487 0.011 0.000 0.980 173 N HN 0.089 nan 8.380 nan 0.000 0.458 174 L N 1.839 123.058 121.223 -0.007 0.000 2.477 174 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 174 L C -0.181 176.697 176.870 0.013 0.000 1.157 174 L CA 0.490 55.342 54.840 0.019 0.000 0.889 174 L CB 0.317 42.384 42.059 0.014 0.000 1.158 174 L HN 0.054 nan 8.230 nan 0.000 0.473 175 E N 4.538 124.796 120.200 0.097 0.000 2.212 175 E HA 0.329 4.679 4.350 -0.000 0.000 0.268 175 E C -0.772 176.031 176.600 0.338 0.000 0.902 175 E CA -0.615 55.861 56.400 0.127 0.000 0.779 175 E CB 1.655 31.422 29.700 0.112 0.000 1.172 175 E HN 0.307 nan 8.360 nan 0.000 0.409 176 F N 0.000 120.012 119.950 0.103 0.000 2.286 176 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 176 F CA 0.000 58.094 58.000 0.156 0.000 1.383 176 F CB 0.000 39.103 39.000 0.171 0.000 1.145 176 F HN 0.000 nan 8.300 nan 0.000 0.574