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 3esy_1_C DATA FIRST_RESID 2 DATA SEQUENCE KKIGLFYGTQ TGKTKSVAEI IRDEFGNDVV TLHDVSQAEV TDLNDYQYLI DATA SEQUENCE IGCPTWNIGK LQSDWEGLYS ELDDVDFNGK LVAYFGTGDQ IGYADNFQDA DATA SEQUENCE IGILEEKISQ RGGKTVGYWS TDGYDFNDSK ALRNGKFVGL ALDEDNQSDL DATA SEQUENCE TDDRIKSWVA QLKSEFGL 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.709 176.600 0.182 0.000 0.988 2 K CA 0.000 56.363 56.287 0.127 0.000 0.838 2 K CB 0.000 32.587 32.500 0.144 0.000 1.064 3 K N 0.349 120.829 120.400 0.134 0.000 2.057 3 K HA 0.012 4.332 4.320 -0.000 0.000 0.207 3 K C 0.522 177.243 176.600 0.201 0.000 1.049 3 K CA 1.168 57.551 56.287 0.160 0.000 0.931 3 K CB 0.061 32.622 32.500 0.101 0.000 0.714 3 K HN 0.249 nan 8.250 nan 0.000 0.440 4 I N 0.687 121.286 120.570 0.047 0.000 2.406 4 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 4 I C 0.243 176.185 176.117 -0.291 0.000 0.999 4 I CA -0.652 60.565 61.300 -0.139 0.000 1.124 4 I CB 1.135 38.887 38.000 -0.413 0.000 1.289 4 I HN -0.051 nan 8.210 nan 0.000 0.441 5 G N 6.830 115.292 108.800 -0.564 0.000 2.356 5 G HA2 0.450 4.410 3.960 -0.000 0.000 0.312 5 G HA3 0.450 4.410 3.960 -0.000 0.000 0.312 5 G C -0.712 174.064 174.900 -0.207 0.000 1.096 5 G CA -0.274 44.248 45.100 -0.963 0.000 0.950 5 G HN 0.409 nan 8.290 nan 0.000 0.428 6 L N 4.053 125.169 121.223 -0.179 0.000 2.259 6 L HA 0.637 4.977 4.340 -0.000 0.000 0.288 6 L C -1.483 175.423 176.870 0.059 0.000 1.051 6 L CA -1.747 53.156 54.840 0.104 0.000 0.824 6 L CB -0.189 41.973 42.059 0.172 0.000 1.206 6 L HN 0.300 nan 8.230 nan 0.000 0.429 7 F N 7.160 127.239 119.950 0.215 0.000 2.375 7 F HA 0.482 5.009 4.527 -0.000 0.000 0.361 7 F C -0.156 175.835 175.800 0.318 0.000 1.117 7 F CA -0.482 57.610 58.000 0.154 0.000 1.037 7 F CB 0.846 39.897 39.000 0.086 0.000 1.192 7 F HN 0.519 nan 8.300 nan 0.000 0.452 8 Y N 0.706 121.170 120.300 0.273 0.000 2.536 8 Y HA 0.965 5.515 4.550 -0.000 0.000 0.347 8 Y C -0.368 175.615 175.900 0.139 0.000 1.000 8 Y CA -1.926 56.346 58.100 0.288 0.000 1.051 8 Y CB 1.433 40.032 38.460 0.231 0.000 1.259 8 Y HN 0.604 nan 8.280 nan 0.000 0.468 9 G N 0.092 109.129 108.800 0.395 0.000 2.473 9 G HA2 0.560 4.520 3.960 -0.000 0.000 0.321 9 G HA3 0.560 4.520 3.960 -0.000 0.000 0.321 9 G C -1.526 173.592 174.900 0.364 0.000 1.200 9 G CA -1.060 44.181 45.100 0.236 0.000 0.963 9 G HN 0.837 nan 8.290 nan 0.000 0.483 10 T N -0.579 114.118 114.554 0.239 0.000 3.193 10 T HA 0.306 4.656 4.350 -0.000 0.000 0.332 10 T C 0.228 174.965 174.700 0.062 0.000 1.208 10 T CA -0.449 61.784 62.100 0.222 0.000 1.080 10 T CB 1.912 70.950 68.868 0.282 0.000 1.180 10 T HN 0.542 nan 8.240 nan 0.000 0.469 11 Q N 1.643 121.441 119.800 -0.003 0.000 2.274 11 Q HA 0.106 4.446 4.340 -0.000 0.000 0.198 11 Q C 1.598 177.563 176.000 -0.058 0.000 0.955 11 Q CA 1.205 56.858 55.803 -0.249 0.000 0.859 11 Q CB 0.378 28.526 28.738 -0.985 0.000 0.956 11 Q HN 0.806 nan 8.270 nan 0.000 0.516 12 T N -3.773 110.873 114.554 0.153 0.000 3.145 12 T HA 0.389 4.739 4.350 -0.000 0.000 0.255 12 T C 1.043 175.830 174.700 0.146 0.000 1.039 12 T CA 0.402 62.609 62.100 0.179 0.000 0.928 12 T CB 0.950 70.001 68.868 0.305 0.000 1.029 12 T HN 0.491 nan 8.240 nan 0.000 0.554 13 G N 1.913 110.795 108.800 0.138 0.000 2.225 13 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.254 13 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.254 13 G C 0.919 175.874 174.900 0.092 0.000 0.988 13 G CA 0.435 45.599 45.100 0.106 0.000 0.625 13 G HN 0.542 nan 8.290 nan 0.000 0.527 14 K N 0.005 120.475 120.400 0.118 0.000 2.147 14 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 14 K C 2.518 179.166 176.600 0.081 0.000 1.049 14 K CA 1.841 58.181 56.287 0.089 0.000 0.936 14 K CB -0.241 32.318 32.500 0.098 0.000 0.722 14 K HN 0.434 nan 8.250 nan 0.000 0.446 15 T N 0.664 115.290 114.554 0.120 0.000 2.985 15 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 15 T C 1.636 176.317 174.700 -0.032 0.000 1.076 15 T CA 0.796 62.981 62.100 0.143 0.000 1.135 15 T CB 0.076 69.068 68.868 0.205 0.000 0.890 15 T HN 0.239 nan 8.240 nan 0.000 0.480 16 K N 1.420 121.743 120.400 -0.128 0.000 2.001 16 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 16 K C 2.460 178.929 176.600 -0.218 0.000 1.048 16 K CA 1.356 57.418 56.287 -0.375 0.000 0.932 16 K CB -0.199 32.233 32.500 -0.113 0.000 0.715 16 K HN 0.139 nan 8.250 nan 0.000 0.437 17 S N 0.743 116.390 115.700 -0.088 0.000 2.369 17 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 17 S C 2.008 176.558 174.600 -0.084 0.000 1.043 17 S CA 1.776 59.940 58.200 -0.061 0.000 1.074 17 S CB -0.541 62.646 63.200 -0.022 0.000 0.962 17 S HN 0.179 nan 8.310 nan 0.000 0.433 18 V N 2.156 122.024 119.914 -0.076 0.000 2.282 18 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 18 V C 2.672 178.629 176.094 -0.228 0.000 1.057 18 V CA 1.844 64.064 62.300 -0.134 0.000 1.032 18 V CB -1.362 30.410 31.823 -0.086 0.000 0.645 18 V HN 0.584 nan 8.190 nan 0.000 0.447 19 A N -0.400 122.309 122.820 -0.185 0.000 1.917 19 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 19 A C 2.166 179.676 177.584 -0.123 0.000 1.182 19 A CA 2.110 54.051 52.037 -0.160 0.000 0.633 19 A CB -0.492 18.340 19.000 -0.280 0.000 0.819 19 A HN 0.679 nan 8.150 nan 0.000 0.448 20 E N -0.459 119.665 120.200 -0.127 0.000 2.072 20 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 20 E C 1.904 178.474 176.600 -0.050 0.000 0.985 20 E CA 1.222 57.581 56.400 -0.069 0.000 0.801 20 E CB -0.312 29.351 29.700 -0.062 0.000 0.750 20 E HN 0.732 nan 8.360 nan 0.000 0.452 21 I N 1.101 121.627 120.570 -0.073 0.000 2.252 21 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 21 I C 2.389 178.473 176.117 -0.055 0.000 1.102 21 I CA 0.993 62.255 61.300 -0.063 0.000 1.385 21 I CB -0.202 37.753 38.000 -0.076 0.000 1.064 21 I HN 0.062 nan 8.210 nan 0.000 0.414 22 I N 0.312 120.833 120.570 -0.082 0.000 2.264 22 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 22 I C 2.794 178.990 176.117 0.130 0.000 1.111 22 I CA 1.162 62.454 61.300 -0.014 0.000 1.382 22 I CB -0.413 37.543 38.000 -0.074 0.000 1.060 22 I HN 0.248 nan 8.210 nan 0.000 0.418 23 R N 1.023 121.575 120.500 0.086 0.000 2.073 23 R HA -0.158 4.182 4.340 -0.000 0.000 0.229 23 R C 1.626 177.986 176.300 0.100 0.000 1.120 23 R CA 1.763 57.931 56.100 0.114 0.000 0.967 23 R CB -0.303 30.025 30.300 0.047 0.000 0.862 23 R HN 0.294 nan 8.270 nan 0.000 0.436 24 D N 0.590 121.017 120.400 0.043 0.000 2.144 24 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 24 D C 1.768 178.080 176.300 0.020 0.000 0.984 24 D CA 1.152 55.166 54.000 0.025 0.000 0.834 24 D CB -0.155 40.645 40.800 -0.001 0.000 0.955 24 D HN 0.252 nan 8.370 nan 0.000 0.465 25 E N -0.299 119.899 120.200 -0.004 0.000 2.072 25 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 25 E C 1.710 178.257 176.600 -0.088 0.000 0.985 25 E CA 0.638 56.993 56.400 -0.074 0.000 0.801 25 E CB -0.352 29.262 29.700 -0.144 0.000 0.750 25 E HN 0.193 nan 8.360 nan 0.000 0.452 26 F N -0.079 119.854 119.950 -0.030 0.000 2.365 26 F HA 0.173 4.700 4.527 -0.000 0.000 0.300 26 F C 1.129 176.921 175.800 -0.013 0.000 1.090 26 F CA 1.407 59.393 58.000 -0.023 0.000 1.408 26 F CB 0.112 39.101 39.000 -0.017 0.000 1.060 26 F HN 0.130 nan 8.300 nan 0.000 0.534 27 G N 0.726 109.628 108.800 0.170 0.000 3.434 27 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 27 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 27 G C 0.300 175.258 174.900 0.097 0.000 1.099 27 G CA -0.285 44.878 45.100 0.106 0.000 0.931 27 G HN 0.259 nan 8.290 nan 0.000 0.520 28 N N 0.712 119.448 118.700 0.061 0.000 2.513 28 N HA -0.140 4.600 4.740 -0.000 0.000 0.187 28 N C 1.547 177.076 175.510 0.032 0.000 1.056 28 N CA 1.336 54.410 53.050 0.041 0.000 0.907 28 N CB 0.174 38.676 38.487 0.024 0.000 0.954 28 N HN 0.757 nan 8.380 nan 0.000 0.445 29 D N 0.330 120.754 120.400 0.039 0.000 2.363 29 D HA -0.019 4.620 4.640 -0.000 0.000 0.220 29 D C 1.309 177.630 176.300 0.034 0.000 0.994 29 D CA 0.391 54.411 54.000 0.033 0.000 0.890 29 D CB 0.386 41.206 40.800 0.035 0.000 0.906 29 D HN -0.064 nan 8.370 nan 0.000 0.530 30 V N -0.490 119.443 119.914 0.033 0.000 3.480 30 V HA 0.234 4.354 4.120 -0.000 0.000 0.263 30 V C 0.170 176.231 176.094 -0.056 0.000 1.442 30 V CA 0.142 62.447 62.300 0.007 0.000 1.053 30 V CB 1.658 33.504 31.823 0.039 0.000 0.846 30 V HN 0.148 nan 8.190 nan 0.000 0.440 31 V N 0.675 120.558 119.914 -0.052 0.000 2.638 31 V HA 0.734 4.854 4.120 -0.000 0.000 0.306 31 V C -0.481 175.585 176.094 -0.047 0.000 1.052 31 V CA 0.116 62.357 62.300 -0.098 0.000 0.885 31 V CB 2.025 33.738 31.823 -0.184 0.000 0.999 31 V HN 0.361 nan 8.190 nan 0.000 0.424 32 T N 6.844 121.365 114.554 -0.055 0.000 2.795 32 T HA 0.634 4.984 4.350 -0.000 0.000 0.282 32 T C -0.741 173.852 174.700 -0.179 0.000 0.980 32 T CA -0.563 61.483 62.100 -0.090 0.000 1.012 32 T CB 1.058 69.911 68.868 -0.025 0.000 0.936 32 T HN 0.567 nan 8.240 nan 0.000 0.457 33 L N 5.387 126.501 121.223 -0.180 0.000 2.305 33 L HA 0.435 4.775 4.340 -0.000 0.000 0.281 33 L C 0.384 177.036 176.870 -0.363 0.000 1.085 33 L CA -0.061 54.721 54.840 -0.097 0.000 0.813 33 L CB 0.570 42.681 42.059 0.085 0.000 1.157 33 L HN 0.735 nan 8.230 nan 0.000 0.436 34 H N 2.115 120.981 119.070 -0.340 0.000 2.727 34 H HA 0.172 4.728 4.556 -0.000 0.000 0.330 34 H C -0.978 173.932 175.328 -0.697 0.000 0.986 34 H CA -0.779 54.954 56.048 -0.525 0.000 1.251 34 H CB 2.084 31.259 29.762 -0.980 0.000 1.493 34 H HN 0.485 nan 8.280 nan 0.000 0.515 35 D N 3.345 123.384 120.400 -0.601 0.000 2.343 35 D HA -0.017 4.623 4.640 -0.000 0.000 0.255 35 D C 1.455 177.489 176.300 -0.444 0.000 1.187 35 D CA -0.155 53.354 54.000 -0.818 0.000 0.875 35 D CB 1.523 42.058 40.800 -0.442 0.000 1.136 35 D HN 0.404 nan 8.370 nan 0.000 0.469 36 V N 2.163 121.779 119.914 -0.496 0.000 3.078 36 V HA -0.140 3.979 4.120 -0.000 0.000 0.265 36 V C 1.880 177.790 176.094 -0.306 0.000 1.122 36 V CA 1.567 63.605 62.300 -0.437 0.000 1.141 36 V CB -0.952 30.338 31.823 -0.888 0.000 0.735 36 V HN 0.536 nan 8.190 nan 0.000 0.498 37 S N 0.360 115.914 115.700 -0.243 0.000 2.447 37 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 37 S C 1.672 176.203 174.600 -0.115 0.000 1.006 37 S CA 1.276 59.384 58.200 -0.154 0.000 0.957 37 S CB -0.419 62.709 63.200 -0.118 0.000 0.773 37 S HN 0.742 nan 8.310 nan 0.000 0.507 38 Q N 0.393 120.121 119.800 -0.119 0.000 2.159 38 Q HA 0.593 4.933 4.340 -0.000 0.000 0.217 38 Q C -0.030 175.946 176.000 -0.041 0.000 0.818 38 Q CA -0.036 55.722 55.803 -0.075 0.000 1.008 38 Q CB 1.303 29.994 28.738 -0.078 0.000 1.148 38 Q HN 0.638 nan 8.270 nan 0.000 0.491 39 A N 0.496 123.287 122.820 -0.049 0.000 2.384 39 A HA 0.621 4.941 4.320 -0.000 0.000 0.312 39 A C -0.741 176.833 177.584 -0.016 0.000 1.113 39 A CA -0.732 51.315 52.037 0.016 0.000 0.779 39 A CB 1.226 20.268 19.000 0.070 0.000 1.307 39 A HN -0.007 nan 8.150 nan 0.000 0.436 40 E N 0.928 121.134 120.200 0.010 0.000 2.216 40 E HA 0.188 4.538 4.350 -0.000 0.000 0.279 40 E C 0.946 177.513 176.600 -0.055 0.000 0.997 40 E CA -0.587 55.799 56.400 -0.024 0.000 0.817 40 E CB 1.861 31.553 29.700 -0.013 0.000 1.096 40 E HN 0.386 nan 8.360 nan 0.000 0.393 41 V N 3.355 123.222 119.914 -0.079 0.000 2.688 41 V HA -0.248 3.872 4.120 -0.000 0.000 0.256 41 V C 1.826 177.839 176.094 -0.136 0.000 1.084 41 V CA 2.748 64.984 62.300 -0.106 0.000 1.103 41 V CB -0.548 31.241 31.823 -0.056 0.000 0.688 41 V HN 0.812 nan 8.190 nan 0.000 0.480 42 T N -4.070 110.422 114.554 -0.102 0.000 3.081 42 T HA -0.049 4.301 4.350 -0.000 0.000 0.255 42 T C 1.418 176.057 174.700 -0.101 0.000 1.113 42 T CA 0.686 62.719 62.100 -0.112 0.000 1.082 42 T CB -0.314 68.506 68.868 -0.081 0.000 0.939 42 T HN 0.462 nan 8.240 nan 0.000 0.506 43 D N 1.905 122.271 120.400 -0.058 0.000 2.221 43 D HA -0.021 4.618 4.640 -0.000 0.000 0.204 43 D C 1.945 178.264 176.300 0.032 0.000 0.982 43 D CA 0.624 54.647 54.000 0.039 0.000 0.857 43 D CB -0.315 40.581 40.800 0.160 0.000 0.934 43 D HN 0.387 nan 8.370 nan 0.000 0.475 44 L N 0.719 121.777 121.223 -0.275 0.000 2.129 44 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 44 L C 1.842 178.615 176.870 -0.161 0.000 1.087 44 L CA 1.059 55.676 54.840 -0.371 0.000 0.757 44 L CB -0.563 41.225 42.059 -0.451 0.000 0.896 44 L HN 0.054 nan 8.230 nan 0.000 0.434 45 N N -0.301 118.286 118.700 -0.188 0.000 2.348 45 N HA -0.182 4.558 4.740 -0.000 0.000 0.185 45 N C 0.857 176.277 175.510 -0.149 0.000 1.019 45 N CA 1.018 53.958 53.050 -0.183 0.000 0.880 45 N CB -0.041 38.344 38.487 -0.170 0.000 0.965 45 N HN 0.374 nan 8.380 nan 0.000 0.437 46 D N -0.711 119.600 120.400 -0.148 0.000 2.349 46 D HA -0.011 4.629 4.640 -0.000 0.000 0.224 46 D C -0.492 175.483 176.300 -0.541 0.000 1.029 46 D CA 0.771 54.555 54.000 -0.360 0.000 0.879 46 D CB 0.158 40.653 40.800 -0.509 0.000 0.906 46 D HN 0.313 nan 8.370 nan 0.000 0.528 47 Y N 0.039 120.299 120.300 -0.067 0.000 2.462 47 Y HA 0.262 4.812 4.550 -0.000 0.000 0.346 47 Y C 1.218 177.011 175.900 -0.178 0.000 0.976 47 Y CA -0.867 57.184 58.100 -0.081 0.000 1.044 47 Y CB 1.708 40.177 38.460 0.015 0.000 1.230 47 Y HN -0.380 nan 8.280 nan 0.000 0.455 48 Q N 1.139 120.829 119.800 -0.183 0.000 2.402 48 Q HA 0.091 4.431 4.340 -0.000 0.000 0.206 48 Q C -0.999 174.637 176.000 -0.606 0.000 0.919 48 Q CA 0.661 56.198 55.803 -0.444 0.000 0.923 48 Q CB 0.446 28.779 28.738 -0.676 0.000 1.048 48 Q HN 0.638 nan 8.270 nan 0.000 0.515 49 Y N -0.045 120.156 120.300 -0.165 0.000 2.350 49 Y HA 0.499 5.049 4.550 -0.000 0.000 0.338 49 Y C -0.225 175.489 175.900 -0.310 0.000 0.961 49 Y CA -0.697 57.112 58.100 -0.485 0.000 1.100 49 Y CB 1.178 39.012 38.460 -1.043 0.000 1.179 49 Y HN -0.203 nan 8.280 nan 0.000 0.454 50 L N 4.564 125.761 121.223 -0.044 0.000 2.354 50 L HA 0.673 5.013 4.340 -0.000 0.000 0.269 50 L C -0.793 176.149 176.870 0.120 0.000 1.005 50 L CA -0.803 54.071 54.840 0.057 0.000 0.819 50 L CB 2.460 44.583 42.059 0.106 0.000 1.311 50 L HN 0.526 nan 8.230 nan 0.000 0.423 51 I N 3.730 124.408 120.570 0.179 0.000 2.439 51 I HA 0.343 4.513 4.170 -0.000 0.000 0.285 51 I C -0.839 175.448 176.117 0.283 0.000 1.021 51 I CA -0.559 60.906 61.300 0.275 0.000 1.091 51 I CB 2.051 40.287 38.000 0.393 0.000 1.242 51 I HN 0.307 nan 8.210 nan 0.000 0.439 52 I N 5.542 126.154 120.570 0.070 0.000 2.307 52 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 52 I C 0.725 176.748 176.117 -0.158 0.000 1.021 52 I CA -0.203 61.117 61.300 0.032 0.000 1.224 52 I CB 0.951 38.808 38.000 -0.237 0.000 1.376 52 I HN 0.565 nan 8.210 nan 0.000 0.470 53 G N 4.957 113.646 108.800 -0.184 0.000 2.343 53 G HA2 0.513 4.473 3.960 -0.000 0.000 0.319 53 G HA3 0.513 4.473 3.960 -0.000 0.000 0.319 53 G C -1.046 173.709 174.900 -0.241 0.000 1.126 53 G CA -0.319 44.241 45.100 -0.901 0.000 0.889 53 G HN 0.684 nan 8.290 nan 0.000 0.457 54 C N 5.066 124.146 119.300 -0.368 0.000 3.046 54 C HA 0.700 5.160 4.460 -0.000 0.000 0.388 54 C C -2.677 172.246 174.990 -0.112 0.000 1.041 54 C CA -1.338 57.620 59.018 -0.101 0.000 1.241 54 C CB 2.064 29.637 27.740 -0.279 0.000 1.638 54 C HN 0.626 nan 8.230 nan 0.000 0.539 55 P HA 0.325 nan 4.420 nan 0.000 0.281 55 P C -0.621 176.693 177.300 0.024 0.000 1.249 55 P CA 0.195 63.308 63.100 0.021 0.000 0.810 55 P CB 1.022 32.831 31.700 0.181 0.000 1.008 56 T N 2.529 116.997 114.554 -0.143 0.000 2.794 56 T HA 0.217 4.566 4.350 -0.000 0.000 0.296 56 T C -0.504 174.039 174.700 -0.262 0.000 0.949 56 T CA 0.252 62.262 62.100 -0.149 0.000 1.101 56 T CB 0.007 68.755 68.868 -0.201 0.000 0.905 56 T HN 0.355 nan 8.240 nan 0.000 0.516 57 W N 1.652 122.862 121.300 -0.150 0.000 2.706 57 W HA 0.413 5.073 4.660 -0.000 0.000 0.346 57 W C 0.243 176.658 176.519 -0.173 0.000 1.071 57 W CA -0.716 56.531 57.345 -0.164 0.000 1.206 57 W CB 0.809 30.214 29.460 -0.091 0.000 1.413 57 W HN 0.600 nan 8.180 nan 0.000 0.542 58 N N 3.043 121.759 118.700 0.027 0.000 2.725 58 N HA -0.245 4.495 4.740 -0.000 0.000 0.251 58 N C -0.579 174.934 175.510 0.006 0.000 1.031 58 N CA 1.538 54.621 53.050 0.055 0.000 0.720 58 N CB -1.802 36.776 38.487 0.152 0.000 0.930 58 N HN 0.689 nan 8.380 nan 0.000 0.543 59 I N -2.244 118.269 120.570 -0.096 0.000 7.706 59 I HA -0.262 3.908 4.170 -0.000 0.000 0.126 59 I C 1.193 177.313 176.117 0.005 0.000 1.832 59 I CA 1.020 62.331 61.300 0.019 0.000 2.069 59 I CB -1.648 36.433 38.000 0.134 0.000 3.675 59 I HN 0.586 nan 8.210 nan 0.000 0.179 60 G N 2.104 110.882 108.800 -0.036 0.000 2.159 60 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.256 60 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.256 60 G C 0.270 175.143 174.900 -0.044 0.000 0.977 60 G CA 0.313 45.395 45.100 -0.031 0.000 0.652 60 G HN 0.472 nan 8.290 nan 0.000 0.531 61 K N 0.203 120.588 120.400 -0.025 0.000 2.087 61 K HA 0.647 4.967 4.320 -0.000 0.000 0.255 61 K C 1.011 177.603 176.600 -0.013 0.000 0.988 61 K CA -0.850 55.428 56.287 -0.016 0.000 0.915 61 K CB 1.119 33.636 32.500 0.029 0.000 1.043 61 K HN 0.255 nan 8.250 nan 0.000 0.457 62 L N 1.685 122.878 121.223 -0.049 0.000 2.439 62 L HA 0.052 4.392 4.340 -0.000 0.000 0.269 62 L C 1.229 178.150 176.870 0.085 0.000 1.179 62 L CA -0.288 54.540 54.840 -0.021 0.000 0.828 62 L CB 0.234 42.247 42.059 -0.077 0.000 1.106 62 L HN 0.450 nan 8.230 nan 0.000 0.467 63 Q N 1.504 121.399 119.800 0.158 0.000 2.315 63 Q HA -0.059 4.280 4.340 -0.000 0.000 0.289 63 Q C 1.147 177.194 176.000 0.078 0.000 1.044 63 Q CA 0.565 56.452 55.803 0.140 0.000 0.920 63 Q CB 1.180 30.042 28.738 0.208 0.000 1.214 63 Q HN 0.855 nan 8.270 nan 0.000 0.392 64 S N 3.535 119.216 115.700 -0.031 0.000 2.387 64 S HA -0.200 4.270 4.470 -0.000 0.000 0.230 64 S C 0.912 175.516 174.600 0.007 0.000 1.035 64 S CA 1.706 59.892 58.200 -0.023 0.000 1.014 64 S CB -0.015 63.136 63.200 -0.081 0.000 0.836 64 S HN 0.712 nan 8.310 nan 0.000 0.466 65 D N 0.195 120.589 120.400 -0.009 0.000 2.149 65 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 65 D C 1.486 177.780 176.300 -0.009 0.000 0.972 65 D CA 0.831 54.807 54.000 -0.040 0.000 0.835 65 D CB -0.359 40.380 40.800 -0.101 0.000 0.966 65 D HN 0.600 nan 8.370 nan 0.000 0.476 66 W N 1.693 122.994 121.300 0.002 0.000 2.425 66 W HA -0.107 4.553 4.660 -0.000 0.000 0.277 66 W C 2.440 178.990 176.519 0.052 0.000 1.231 66 W CA 0.608 57.972 57.345 0.031 0.000 1.248 66 W CB 0.213 29.687 29.460 0.024 0.000 1.117 66 W HN 0.022 nan 8.180 nan 0.000 0.568 67 E N -0.091 120.268 120.200 0.265 0.000 2.077 67 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 67 E C 2.375 179.104 176.600 0.215 0.000 0.989 67 E CA 2.005 58.512 56.400 0.177 0.000 0.800 67 E CB -0.752 28.994 29.700 0.076 0.000 0.746 67 E HN 0.145 nan 8.360 nan 0.000 0.452 68 G N 0.586 109.471 108.800 0.142 0.000 2.404 68 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.215 68 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.215 68 G C 1.507 176.479 174.900 0.120 0.000 1.174 68 G CA 0.802 45.962 45.100 0.100 0.000 0.780 68 G HN 0.293 nan 8.290 nan 0.000 0.537 69 L N -0.660 120.635 121.223 0.119 0.000 2.201 69 L HA 0.066 4.406 4.340 -0.000 0.000 0.212 69 L C 2.442 179.480 176.870 0.280 0.000 1.105 69 L CA 1.064 55.970 54.840 0.110 0.000 0.775 69 L CB -0.478 41.516 42.059 -0.107 0.000 0.913 69 L HN 0.387 nan 8.230 nan 0.000 0.440 70 Y N -0.065 120.401 120.300 0.278 0.000 2.128 70 Y HA -0.342 4.208 4.550 -0.000 0.000 0.284 70 Y C 2.752 178.727 175.900 0.126 0.000 1.154 70 Y CA 1.911 60.143 58.100 0.221 0.000 1.149 70 Y CB -0.415 38.147 38.460 0.168 0.000 0.976 70 Y HN 0.366 nan 8.280 nan 0.000 0.505 71 S N -0.640 115.145 115.700 0.143 0.000 2.474 71 S HA -0.141 4.328 4.470 -0.000 0.000 0.235 71 S C 1.309 175.897 174.600 -0.019 0.000 0.997 71 S CA 1.306 59.523 58.200 0.029 0.000 0.949 71 S CB -0.384 62.876 63.200 0.099 0.000 0.766 71 S HN 0.689 nan 8.310 nan 0.000 0.517 72 E N 0.420 120.624 120.200 0.008 0.000 2.463 72 E HA 0.297 4.647 4.350 -0.000 0.000 0.193 72 E C 1.158 177.759 176.600 0.001 0.000 1.041 72 E CA -0.187 56.213 56.400 -0.001 0.000 0.879 72 E CB -0.035 29.669 29.700 0.006 0.000 0.997 72 E HN 0.475 nan 8.360 nan 0.000 0.478 73 L N 1.048 122.265 121.223 -0.009 0.000 2.291 73 L HA -0.122 4.218 4.340 -0.000 0.000 0.214 73 L C 1.530 178.434 176.870 0.058 0.000 1.120 73 L CA 0.676 55.551 54.840 0.059 0.000 0.799 73 L CB 0.018 42.099 42.059 0.037 0.000 0.925 73 L HN 0.065 nan 8.230 nan 0.000 0.446 74 D N 0.155 120.548 120.400 -0.011 0.000 2.309 74 D HA -0.161 4.479 4.640 -0.000 0.000 0.212 74 D C 1.050 177.345 176.300 -0.009 0.000 0.968 74 D CA 0.994 54.990 54.000 -0.007 0.000 0.882 74 D CB -0.033 40.749 40.800 -0.030 0.000 0.918 74 D HN 0.359 nan 8.370 nan 0.000 0.503 75 D N 0.186 120.575 120.400 -0.018 0.000 2.328 75 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 75 D C 0.400 176.656 176.300 -0.073 0.000 1.066 75 D CA 0.112 54.088 54.000 -0.040 0.000 0.861 75 D CB 0.906 41.682 40.800 -0.039 0.000 0.912 75 D HN 0.041 nan 8.370 nan 0.000 0.521 76 V N 0.509 120.374 119.914 -0.081 0.000 2.789 76 V HA 0.405 4.525 4.120 -0.000 0.000 0.311 76 V C -1.866 174.099 176.094 -0.215 0.000 1.073 76 V CA -0.962 61.207 62.300 -0.218 0.000 0.921 76 V CB 2.819 34.429 31.823 -0.354 0.000 1.009 76 V HN -0.139 nan 8.190 nan 0.000 0.426 77 D N 3.994 124.229 120.400 -0.276 0.000 2.278 77 D HA 0.438 5.078 4.640 -0.000 0.000 0.245 77 D C -0.240 175.897 176.300 -0.272 0.000 1.052 77 D CA -0.279 53.632 54.000 -0.148 0.000 0.834 77 D CB 1.502 42.260 40.800 -0.070 0.000 1.194 77 D HN 0.410 nan 8.370 nan 0.000 0.481 78 F N 1.411 121.351 119.950 -0.017 0.000 2.664 78 F HA 0.312 4.839 4.527 -0.000 0.000 0.303 78 F C 0.621 176.420 175.800 -0.002 0.000 1.092 78 F CA -0.695 57.298 58.000 -0.011 0.000 1.305 78 F CB -0.252 38.752 39.000 0.008 0.000 1.054 78 F HN 0.245 nan 8.300 nan 0.000 0.565 79 N N 0.263 119.033 118.700 0.116 0.000 2.454 79 N HA 0.318 5.058 4.740 -0.000 0.000 0.260 79 N C 1.170 176.706 175.510 0.043 0.000 1.218 79 N CA 1.526 54.623 53.050 0.078 0.000 0.904 79 N CB 0.499 39.013 38.487 0.046 0.000 1.065 79 N HN 0.365 nan 8.380 nan 0.000 0.462 80 G N 0.967 109.798 108.800 0.052 0.000 2.199 80 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 80 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 80 G C -0.037 174.876 174.900 0.021 0.000 0.982 80 G CA 0.018 45.134 45.100 0.027 0.000 0.632 80 G HN 0.514 nan 8.290 nan 0.000 0.529 81 K N -0.175 120.263 120.400 0.062 0.000 2.110 81 K HA 0.671 4.991 4.320 -0.000 0.000 0.263 81 K C -0.565 176.121 176.600 0.144 0.000 0.975 81 K CA -0.919 55.406 56.287 0.063 0.000 0.895 81 K CB 1.452 34.026 32.500 0.124 0.000 1.060 81 K HN 0.008 nan 8.250 nan 0.000 0.448 82 L N 2.597 123.925 121.223 0.175 0.000 2.295 82 L HA 0.399 4.739 4.340 -0.000 0.000 0.285 82 L C -0.854 176.233 176.870 0.361 0.000 1.035 82 L CA -0.512 54.538 54.840 0.351 0.000 0.806 82 L CB 1.772 44.198 42.059 0.613 0.000 1.214 82 L HN 0.303 nan 8.230 nan 0.000 0.426 83 V N 2.844 122.946 119.914 0.313 0.000 2.569 83 V HA 0.823 4.943 4.120 -0.000 0.000 0.301 83 V C -0.060 176.060 176.094 0.044 0.000 1.044 83 V CA -0.827 61.546 62.300 0.121 0.000 0.874 83 V CB 1.498 33.279 31.823 -0.070 0.000 1.002 83 V HN 0.854 nan 8.190 nan 0.000 0.424 84 A N 4.253 127.112 122.820 0.066 0.000 2.294 84 A HA 0.954 5.274 4.320 -0.000 0.000 0.330 84 A C -1.488 176.038 177.584 -0.097 0.000 1.133 84 A CA -0.432 51.679 52.037 0.124 0.000 0.836 84 A CB 1.018 20.128 19.000 0.184 0.000 1.190 84 A HN 0.737 nan 8.150 nan 0.000 0.492 85 Y N -0.232 120.286 120.300 0.364 0.000 2.477 85 Y HA 0.604 5.154 4.550 -0.000 0.000 0.347 85 Y C -0.463 175.491 175.900 0.091 0.000 0.981 85 Y CA -0.663 57.521 58.100 0.141 0.000 1.033 85 Y CB 2.045 40.464 38.460 -0.069 0.000 1.245 85 Y HN 0.738 nan 8.280 nan 0.000 0.455 86 F N -0.420 119.515 119.950 -0.025 0.000 2.601 86 F HA 1.013 5.540 4.527 -0.000 0.000 0.309 86 F C -0.610 175.041 175.800 -0.249 0.000 1.089 86 F CA -1.237 56.546 58.000 -0.362 0.000 0.940 86 F CB 1.714 40.383 39.000 -0.552 0.000 1.273 86 F HN 0.613 nan 8.300 nan 0.000 0.450 87 G N 0.389 109.027 108.800 -0.270 0.000 2.660 87 G HA2 0.598 4.558 3.960 -0.000 0.000 0.294 87 G HA3 0.598 4.558 3.960 -0.000 0.000 0.294 87 G C -1.510 173.289 174.900 -0.169 0.000 1.369 87 G CA -0.784 44.141 45.100 -0.291 0.000 0.912 87 G HN 0.959 nan 8.290 nan 0.000 0.479 88 T N -1.747 112.749 114.554 -0.096 0.000 2.929 88 T HA 0.861 5.211 4.350 -0.000 0.000 0.284 88 T C 0.381 175.006 174.700 -0.125 0.000 1.014 88 T CA -0.083 61.978 62.100 -0.065 0.000 1.051 88 T CB 2.030 70.913 68.868 0.025 0.000 1.028 88 T HN 1.588 nan 8.240 nan 0.000 0.485 89 G N 0.163 108.941 108.800 -0.036 0.000 2.548 89 G HA2 0.490 4.450 3.960 -0.000 0.000 0.301 89 G HA3 0.490 4.450 3.960 -0.000 0.000 0.301 89 G C -2.109 172.934 174.900 0.237 0.000 1.349 89 G CA -0.704 44.410 45.100 0.023 0.000 0.792 89 G HN 0.719 nan 8.290 nan 0.000 0.481 90 D N 0.237 120.790 120.400 0.255 0.000 2.454 90 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 90 D C 1.391 177.751 176.300 0.100 0.000 1.129 90 D CA -0.493 53.616 54.000 0.181 0.000 0.877 90 D CB 1.566 42.490 40.800 0.207 0.000 1.082 90 D HN 0.506 nan 8.370 nan 0.000 0.537 91 Q N 2.998 122.615 119.800 -0.305 0.000 2.369 91 Q HA -0.029 4.311 4.340 -0.000 0.000 0.206 91 Q C 1.085 176.974 176.000 -0.185 0.000 0.963 91 Q CA 0.815 56.242 55.803 -0.625 0.000 0.894 91 Q CB 0.396 28.494 28.738 -1.066 0.000 0.965 91 Q HN 0.508 nan 8.270 nan 0.000 0.475 92 I N 0.755 121.261 120.570 -0.107 0.000 2.499 92 I HA 0.043 4.213 4.170 -0.000 0.000 0.243 92 I C 2.383 178.439 176.117 -0.102 0.000 1.085 92 I CA 0.874 62.128 61.300 -0.076 0.000 1.422 92 I CB -0.575 37.388 38.000 -0.062 0.000 1.165 92 I HN 0.295 nan 8.210 nan 0.000 0.440 93 G N 0.261 108.990 108.800 -0.118 0.000 2.443 93 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 93 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 93 G C 0.550 175.020 174.900 -0.716 0.000 1.131 93 G CA 0.596 45.483 45.100 -0.355 0.000 0.775 93 G HN 0.405 nan 8.290 nan 0.000 0.547 94 Y N -0.448 119.846 120.300 -0.010 0.000 2.517 94 Y HA 0.541 5.091 4.550 -0.000 0.000 0.330 94 Y C 1.573 177.516 175.900 0.072 0.000 0.917 94 Y CA -0.642 57.471 58.100 0.023 0.000 1.131 94 Y CB 0.504 38.969 38.460 0.008 0.000 1.175 94 Y HN 0.126 nan 8.280 nan 0.000 0.620 95 A N -0.459 122.427 122.820 0.109 0.000 2.131 95 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 95 A C 1.550 179.274 177.584 0.233 0.000 1.158 95 A CA 2.054 54.180 52.037 0.149 0.000 0.665 95 A CB -0.129 18.912 19.000 0.068 0.000 0.795 95 A HN 0.457 nan 8.150 nan 0.000 0.460 96 D N -1.151 119.363 120.400 0.190 0.000 2.369 96 D HA 0.051 4.691 4.640 -0.000 0.000 0.211 96 D C -0.207 176.208 176.300 0.191 0.000 1.077 96 D CA 0.334 54.442 54.000 0.179 0.000 0.842 96 D CB -0.002 40.867 40.800 0.114 0.000 0.947 96 D HN 0.537 nan 8.370 nan 0.000 0.509 97 N N 0.062 118.893 118.700 0.219 0.000 2.517 97 N HA 0.074 4.814 4.740 -0.000 0.000 0.285 97 N C -0.784 174.817 175.510 0.152 0.000 1.528 97 N CA -0.399 52.744 53.050 0.154 0.000 0.892 97 N CB 0.390 38.940 38.487 0.105 0.000 1.356 97 N HN -0.090 nan 8.380 nan 0.000 0.495 98 F N 2.699 122.656 119.950 0.012 0.000 2.494 98 F HA 0.130 4.657 4.527 -0.000 0.000 0.369 98 F C 0.714 176.397 175.800 -0.196 0.000 1.098 98 F CA 0.104 58.033 58.000 -0.118 0.000 1.154 98 F CB 0.187 39.045 39.000 -0.237 0.000 1.103 98 F HN 0.209 nan 8.300 nan 0.000 0.549 99 Q N 3.147 122.574 119.800 -0.622 0.000 2.502 99 Q HA -0.280 4.060 4.340 -0.000 0.000 0.273 99 Q C 0.797 176.588 176.000 -0.348 0.000 1.127 99 Q CA 1.107 56.514 55.803 -0.661 0.000 0.952 99 Q CB -1.746 26.322 28.738 -1.117 0.000 1.333 99 Q HN 0.737 nan 8.270 nan 0.000 0.494 100 D N 0.131 120.404 120.400 -0.212 0.000 2.117 100 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 100 D C 1.796 177.984 176.300 -0.187 0.000 0.987 100 D CA 1.660 55.573 54.000 -0.145 0.000 0.829 100 D CB -0.108 40.639 40.800 -0.088 0.000 0.961 100 D HN 0.518 nan 8.370 nan 0.000 0.460 101 A N 1.115 123.811 122.820 -0.206 0.000 1.892 101 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 101 A C 2.334 179.747 177.584 -0.285 0.000 1.188 101 A CA 1.948 53.848 52.037 -0.228 0.000 0.631 101 A CB -1.027 17.860 19.000 -0.188 0.000 0.822 101 A HN 0.461 nan 8.150 nan 0.000 0.447 102 I N -2.365 118.023 120.570 -0.303 0.000 2.394 102 I HA 0.014 4.184 4.170 -0.000 0.000 0.251 102 I C 2.220 178.117 176.117 -0.367 0.000 1.136 102 I CA 1.356 62.465 61.300 -0.318 0.000 1.425 102 I CB -0.947 36.884 38.000 -0.281 0.000 1.079 102 I HN 0.144 nan 8.210 nan 0.000 0.425 103 G N 1.958 110.589 108.800 -0.282 0.000 2.402 103 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 103 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 103 G C 1.680 176.451 174.900 -0.215 0.000 1.162 103 G CA 0.955 45.916 45.100 -0.232 0.000 0.777 103 G HN 0.444 nan 8.290 nan 0.000 0.539 104 I N 0.049 120.499 120.570 -0.201 0.000 2.179 104 I HA -0.130 4.039 4.170 -0.000 0.000 0.242 104 I C 2.589 178.631 176.117 -0.126 0.000 1.088 104 I CA 0.421 61.619 61.300 -0.170 0.000 1.357 104 I CB -0.195 37.655 38.000 -0.250 0.000 1.051 104 I HN 0.064 nan 8.210 nan 0.000 0.409 105 L N 0.448 121.541 121.223 -0.216 0.000 2.012 105 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 105 L C 2.574 179.330 176.870 -0.190 0.000 1.073 105 L CA 1.829 56.554 54.840 -0.190 0.000 0.748 105 L CB -1.283 40.550 42.059 -0.377 0.000 0.891 105 L HN 0.311 nan 8.230 nan 0.000 0.431 106 E N -0.220 119.705 120.200 -0.458 0.000 2.153 106 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 106 E C 2.051 178.493 176.600 -0.262 0.000 0.988 106 E CA 1.243 57.257 56.400 -0.644 0.000 0.811 106 E CB 0.146 29.173 29.700 -1.122 0.000 0.746 106 E HN 0.622 nan 8.360 nan 0.000 0.466 107 E N 0.487 120.583 120.200 -0.172 0.000 2.047 107 E HA -0.232 4.117 4.350 -0.000 0.000 0.191 107 E C 2.116 178.689 176.600 -0.046 0.000 0.987 107 E CA 1.509 57.863 56.400 -0.077 0.000 0.799 107 E CB -0.030 29.646 29.700 -0.040 0.000 0.752 107 E HN -0.016 nan 8.360 nan 0.000 0.449 108 K N 0.910 121.299 120.400 -0.020 0.000 2.002 108 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 108 K C 2.025 178.560 176.600 -0.108 0.000 1.048 108 K CA 1.749 58.008 56.287 -0.046 0.000 0.930 108 K CB -0.396 32.072 32.500 -0.053 0.000 0.714 108 K HN 0.201 nan 8.250 nan 0.000 0.438 109 I N 0.632 121.095 120.570 -0.178 0.000 2.361 109 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 109 I C 1.949 177.922 176.117 -0.241 0.000 1.133 109 I CA 1.193 62.255 61.300 -0.396 0.000 1.413 109 I CB -0.210 37.471 38.000 -0.532 0.000 1.073 109 I HN 0.162 nan 8.210 nan 0.000 0.424 110 S N -0.242 115.400 115.700 -0.097 0.000 2.414 110 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 110 S C 1.940 176.543 174.600 0.005 0.000 1.022 110 S CA 0.845 59.034 58.200 -0.017 0.000 0.958 110 S CB -0.113 63.089 63.200 0.004 0.000 0.797 110 S HN 0.434 nan 8.310 nan 0.000 0.493 111 Q N 0.631 120.425 119.800 -0.010 0.000 2.224 111 Q HA 0.074 4.414 4.340 -0.000 0.000 0.203 111 Q C 1.657 177.676 176.000 0.032 0.000 0.970 111 Q CA 0.842 56.650 55.803 0.009 0.000 0.865 111 Q CB 0.148 28.884 28.738 -0.004 0.000 0.922 111 Q HN 0.208 nan 8.270 nan 0.000 0.445 112 R N -1.520 119.007 120.500 0.045 0.000 2.317 112 R HA 0.117 4.457 4.340 -0.000 0.000 0.208 112 R C 0.719 177.137 176.300 0.197 0.000 0.914 112 R CA 0.799 56.981 56.100 0.137 0.000 1.060 112 R CB 1.001 31.453 30.300 0.253 0.000 1.015 112 R HN 0.420 nan 8.270 nan 0.000 0.498 113 G N -0.157 108.722 108.800 0.130 0.000 2.211 113 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 113 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 113 G C 0.460 175.453 174.900 0.156 0.000 0.997 113 G CA -0.332 44.852 45.100 0.140 0.000 0.652 113 G HN 0.484 nan 8.290 nan 0.000 0.500 114 G N 0.521 109.406 108.800 0.141 0.000 2.365 114 G HA2 0.438 4.398 3.960 -0.000 0.000 0.249 114 G HA3 0.438 4.398 3.960 -0.000 0.000 0.249 114 G C 0.061 175.037 174.900 0.128 0.000 1.288 114 G CA 0.455 45.634 45.100 0.130 0.000 0.887 114 G HN 0.526 nan 8.290 nan 0.000 0.524 115 K N 2.397 122.892 120.400 0.159 0.000 2.262 115 K HA 0.263 4.583 4.320 -0.000 0.000 0.282 115 K C 0.137 176.859 176.600 0.203 0.000 1.066 115 K CA -0.424 55.966 56.287 0.172 0.000 0.901 115 K CB 0.389 32.991 32.500 0.171 0.000 1.089 115 K HN 0.396 nan 8.250 nan 0.000 0.476 116 T N 2.467 117.147 114.554 0.209 0.000 2.907 116 T HA 0.235 4.585 4.350 -0.000 0.000 0.298 116 T C -0.576 174.207 174.700 0.139 0.000 1.017 116 T CA -0.457 61.755 62.100 0.187 0.000 1.118 116 T CB 1.235 70.171 68.868 0.112 0.000 0.948 116 T HN 0.353 nan 8.240 nan 0.000 0.531 117 V N 1.195 121.132 119.914 0.039 0.000 2.969 117 V HA 0.655 4.775 4.120 -0.000 0.000 0.304 117 V C 0.465 176.526 176.094 -0.055 0.000 1.192 117 V CA 0.173 62.489 62.300 0.025 0.000 0.962 117 V CB 1.925 33.770 31.823 0.037 0.000 1.045 117 V HN 1.162 nan 8.190 nan 0.000 0.428 118 G N 3.448 112.259 108.800 0.019 0.000 2.131 118 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.201 118 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.201 118 G C -0.211 174.968 174.900 0.464 0.000 1.000 118 G CA -0.061 45.167 45.100 0.213 0.000 0.680 118 G HN 0.746 nan 8.290 nan 0.000 0.514 119 Y N -0.637 119.894 120.300 0.386 0.000 2.903 119 Y HA 0.304 4.854 4.550 -0.000 0.000 0.338 119 Y C 1.002 177.203 175.900 0.501 0.000 1.265 119 Y CA 0.664 58.986 58.100 0.370 0.000 1.532 119 Y CB 0.462 39.058 38.460 0.226 0.000 1.293 119 Y HN 0.322 nan 8.280 nan 0.000 0.609 120 W N 3.374 124.889 121.300 0.358 0.000 2.839 120 W HA 0.337 4.997 4.660 -0.000 0.000 0.334 120 W C -0.575 176.119 176.519 0.292 0.000 1.064 120 W CA -1.051 56.466 57.345 0.287 0.000 1.236 120 W CB 2.051 31.607 29.460 0.161 0.000 1.405 120 W HN 0.465 nan 8.180 nan 0.000 0.478 121 S N 1.479 117.000 115.700 -0.298 0.000 2.563 121 S HA -0.025 4.445 4.470 -0.000 0.000 0.284 121 S C 1.391 176.023 174.600 0.054 0.000 1.331 121 S CA 1.070 59.162 58.200 -0.179 0.000 1.047 121 S CB 0.969 63.996 63.200 -0.290 0.000 0.859 121 S HN 0.529 nan 8.310 nan 0.000 0.514 122 T N 0.546 115.147 114.554 0.078 0.000 3.086 122 T HA 0.172 4.522 4.350 -0.000 0.000 0.250 122 T C -0.036 174.907 174.700 0.405 0.000 1.074 122 T CA -0.437 61.799 62.100 0.227 0.000 0.988 122 T CB -0.234 68.615 68.868 -0.033 0.000 0.988 122 T HN 0.512 nan 8.240 nan 0.000 0.530 123 D N 1.902 122.437 120.400 0.226 0.000 2.423 123 D HA 0.365 5.005 4.640 -0.000 0.000 0.238 123 D C 1.557 177.978 176.300 0.201 0.000 1.142 123 D CA 1.460 55.552 54.000 0.154 0.000 0.884 123 D CB 0.411 41.234 40.800 0.039 0.000 1.199 123 D HN 0.418 nan 8.370 nan 0.000 0.438 124 G N 0.730 109.587 108.800 0.094 0.000 2.184 124 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 124 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 124 G C -0.187 174.646 174.900 -0.112 0.000 0.975 124 G CA 0.313 45.392 45.100 -0.034 0.000 0.642 124 G HN 0.469 nan 8.290 nan 0.000 0.536 125 Y N -0.258 120.181 120.300 0.230 0.000 2.549 125 Y HA 0.625 5.175 4.550 -0.000 0.000 0.339 125 Y C -0.043 176.000 175.900 0.238 0.000 1.053 125 Y CA -0.939 57.351 58.100 0.317 0.000 1.105 125 Y CB 2.111 40.959 38.460 0.647 0.000 1.258 125 Y HN 0.065 nan 8.280 nan 0.000 0.478 126 D N 2.189 122.802 120.400 0.355 0.000 2.336 126 D HA 0.366 5.006 4.640 -0.000 0.000 0.248 126 D C -1.521 174.878 176.300 0.166 0.000 1.326 126 D CA -0.272 53.814 54.000 0.144 0.000 0.973 126 D CB 0.272 41.098 40.800 0.044 0.000 1.255 126 D HN 0.289 nan 8.370 nan 0.000 0.558 127 F N 1.260 121.211 119.950 0.001 0.000 2.706 127 F HA 0.611 5.138 4.527 -0.000 0.000 0.328 127 F C 0.439 176.253 175.800 0.024 0.000 1.123 127 F CA -0.943 57.049 58.000 -0.013 0.000 0.978 127 F CB 0.532 39.547 39.000 0.024 0.000 1.404 127 F HN -0.086 nan 8.300 nan 0.000 0.497 128 N N -0.462 118.307 118.700 0.115 0.000 2.322 128 N HA 0.103 4.843 4.740 -0.000 0.000 0.186 128 N C -0.801 174.745 175.510 0.059 0.000 1.037 128 N CA 0.958 54.013 53.050 0.008 0.000 0.869 128 N CB -0.094 38.425 38.487 0.054 0.000 1.036 128 N HN 0.679 nan 8.380 nan 0.000 0.439 129 D N -1.090 119.494 120.400 0.306 0.000 2.596 129 D HA 0.446 5.086 4.640 -0.000 0.000 0.234 129 D C -1.486 175.070 176.300 0.426 0.000 1.181 129 D CA -0.375 53.806 54.000 0.302 0.000 0.856 129 D CB 2.188 43.080 40.800 0.153 0.000 1.498 129 D HN -0.032 nan 8.370 nan 0.000 0.446 130 S N 0.880 116.774 115.700 0.323 0.000 2.543 130 S HA 0.313 4.783 4.470 -0.000 0.000 0.271 130 S C -0.055 174.609 174.600 0.106 0.000 1.148 130 S CA -0.621 57.702 58.200 0.205 0.000 0.914 130 S CB 1.182 64.508 63.200 0.210 0.000 1.096 130 S HN 0.373 nan 8.310 nan 0.000 0.471 131 K N 2.258 122.683 120.400 0.041 0.000 2.525 131 K HA 0.168 4.488 4.320 -0.000 0.000 0.192 131 K C 1.302 177.891 176.600 -0.018 0.000 1.029 131 K CA 0.703 56.991 56.287 0.002 0.000 1.029 131 K CB 0.016 32.498 32.500 -0.031 0.000 0.814 131 K HN 0.550 nan 8.250 nan 0.000 0.503 132 A N 0.610 123.437 122.820 0.010 0.000 2.275 132 A HA 0.103 4.423 4.320 -0.000 0.000 0.212 132 A C 0.109 177.756 177.584 0.106 0.000 1.201 132 A CA -0.016 52.036 52.037 0.025 0.000 0.843 132 A CB 0.129 19.142 19.000 0.021 0.000 0.873 132 A HN 0.030 nan 8.150 nan 0.000 0.492 133 L N 1.103 122.366 121.223 0.066 0.000 2.326 133 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 133 L C -0.011 176.886 176.870 0.045 0.000 1.092 133 L CA 0.258 55.118 54.840 0.034 0.000 0.810 133 L CB 0.551 42.612 42.059 0.003 0.000 1.153 133 L HN 0.175 nan 8.230 nan 0.000 0.439 134 R N 3.287 123.823 120.500 0.061 0.000 2.521 134 R HA 0.243 4.583 4.340 -0.000 0.000 0.295 134 R C -0.294 175.993 176.300 -0.021 0.000 1.183 134 R CA -0.643 55.487 56.100 0.049 0.000 0.957 134 R CB 0.370 30.767 30.300 0.161 0.000 1.171 134 R HN 0.635 nan 8.270 nan 0.000 0.494 135 N N 1.214 119.891 118.700 -0.037 0.000 2.727 135 N HA -0.262 4.478 4.740 -0.000 0.000 0.249 135 N C 0.691 176.165 175.510 -0.060 0.000 1.048 135 N CA 1.145 54.160 53.050 -0.058 0.000 0.714 135 N CB -0.610 37.824 38.487 -0.089 0.000 0.959 135 N HN 1.059 nan 8.380 nan 0.000 0.544 136 G N -1.534 107.234 108.800 -0.053 0.000 2.157 136 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.248 136 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.248 136 G C -0.115 174.744 174.900 -0.069 0.000 0.979 136 G CA 0.541 45.601 45.100 -0.066 0.000 0.650 136 G HN 0.449 nan 8.290 nan 0.000 0.529 137 K N -0.537 119.842 120.400 -0.036 0.000 2.422 137 K HA 0.554 4.874 4.320 -0.000 0.000 0.251 137 K C -0.449 176.212 176.600 0.102 0.000 0.933 137 K CA -1.060 55.249 56.287 0.038 0.000 0.798 137 K CB 1.364 33.943 32.500 0.131 0.000 1.238 137 K HN -0.041 nan 8.250 nan 0.000 0.428 138 F N 1.518 121.553 119.950 0.142 0.000 2.607 138 F HA -0.099 4.428 4.527 -0.000 0.000 0.374 138 F C 1.773 177.681 175.800 0.180 0.000 1.104 138 F CA 0.160 58.212 58.000 0.087 0.000 1.296 138 F CB 0.430 39.443 39.000 0.022 0.000 1.085 138 F HN 0.298 nan 8.300 nan 0.000 0.584 139 V N 3.311 123.395 119.914 0.284 0.000 2.867 139 V HA 0.053 4.173 4.120 -0.000 0.000 0.260 139 V C 1.024 177.119 176.094 0.002 0.000 1.099 139 V CA 1.991 64.345 62.300 0.090 0.000 1.122 139 V CB -0.774 30.981 31.823 -0.113 0.000 0.708 139 V HN 0.906 nan 8.190 nan 0.000 0.490 140 G N -1.437 107.410 108.800 0.078 0.000 2.561 140 G HA2 0.418 4.378 3.960 -0.000 0.000 0.310 140 G HA3 0.418 4.378 3.960 -0.000 0.000 0.310 140 G C -1.638 173.074 174.900 -0.315 0.000 1.292 140 G CA -0.432 44.698 45.100 0.050 0.000 0.811 140 G HN 0.106 nan 8.290 nan 0.000 0.482 141 L N 1.307 121.931 121.223 -0.998 0.000 2.462 141 L HA 0.630 4.969 4.340 -0.000 0.000 0.272 141 L C 0.672 176.980 176.870 -0.936 0.000 1.166 141 L CA -0.051 53.891 54.840 -1.497 0.000 0.880 141 L CB 0.428 41.016 42.059 -2.451 0.000 1.142 141 L HN 0.900 nan 8.230 nan 0.000 0.473 142 A N 7.097 129.421 122.820 -0.827 0.000 2.249 142 A HA 0.664 4.984 4.320 -0.000 0.000 0.314 142 A C -0.829 176.623 177.584 -0.219 0.000 1.290 142 A CA -0.552 51.043 52.037 -0.737 0.000 0.893 142 A CB 0.114 18.236 19.000 -1.463 0.000 1.165 142 A HN 0.716 nan 8.150 nan 0.000 0.530 143 L N 2.113 123.226 121.223 -0.184 0.000 2.317 143 L HA 0.476 4.816 4.340 -0.000 0.000 0.281 143 L C -0.459 176.471 176.870 0.099 0.000 1.024 143 L CA -0.597 54.237 54.840 -0.010 0.000 0.810 143 L CB 1.915 43.935 42.059 -0.065 0.000 1.240 143 L HN 0.627 nan 8.230 nan 0.000 0.427 144 D N 1.580 122.082 120.400 0.171 0.000 2.446 144 D HA 0.132 4.772 4.640 -0.000 0.000 0.251 144 D C 0.425 176.774 176.300 0.081 0.000 1.137 144 D CA -0.274 53.829 54.000 0.172 0.000 0.890 144 D CB 1.542 42.480 40.800 0.229 0.000 1.071 144 D HN 0.486 nan 8.370 nan 0.000 0.528 145 E N 1.718 121.953 120.200 0.058 0.000 2.358 145 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 145 E C 0.745 177.364 176.600 0.032 0.000 1.010 145 E CA 0.795 57.217 56.400 0.036 0.000 0.856 145 E CB 0.422 30.142 29.700 0.033 0.000 0.795 145 E HN 0.402 nan 8.360 nan 0.000 0.504 146 D N -0.420 120.002 120.400 0.036 0.000 2.240 146 D HA 0.018 4.658 4.640 -0.000 0.000 0.206 146 D C 0.932 177.243 176.300 0.020 0.000 0.963 146 D CA 0.648 54.665 54.000 0.028 0.000 0.863 146 D CB 0.169 40.986 40.800 0.028 0.000 0.973 146 D HN 0.201 nan 8.370 nan 0.000 0.501 147 N N -0.150 118.562 118.700 0.020 0.000 2.239 147 N HA 0.061 4.801 4.740 -0.000 0.000 0.208 147 N C 0.190 175.700 175.510 0.001 0.000 1.200 147 N CA 0.130 53.183 53.050 0.004 0.000 0.895 147 N CB 1.183 39.664 38.487 -0.011 0.000 1.085 147 N HN 0.133 nan 8.380 nan 0.000 0.500 148 Q N 0.325 120.131 119.800 0.011 0.000 2.248 148 Q HA 0.172 4.511 4.340 -0.000 0.000 0.324 148 Q C 0.419 176.423 176.000 0.006 0.000 0.867 148 Q CA -0.091 55.712 55.803 -0.001 0.000 1.101 148 Q CB 0.765 29.494 28.738 -0.014 0.000 1.328 148 Q HN 0.164 nan 8.270 nan 0.000 0.408 149 S N -0.330 115.375 115.700 0.008 0.000 2.481 149 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 149 S C 1.382 175.982 174.600 0.001 0.000 0.996 149 S CA 1.112 59.316 58.200 0.007 0.000 0.942 149 S CB -0.032 63.173 63.200 0.009 0.000 0.768 149 S HN 0.488 nan 8.310 nan 0.000 0.520 150 D N 1.781 122.180 120.400 -0.001 0.000 2.348 150 D HA -0.050 4.589 4.640 -0.000 0.000 0.216 150 D C 1.685 177.984 176.300 -0.002 0.000 0.970 150 D CA 0.452 54.450 54.000 -0.002 0.000 0.889 150 D CB -0.336 40.462 40.800 -0.003 0.000 0.912 150 D HN 0.463 nan 8.370 nan 0.000 0.524 151 L N 0.076 121.297 121.223 -0.003 0.000 2.416 151 L HA 0.028 4.368 4.340 -0.000 0.000 0.216 151 L C 2.283 179.158 176.870 0.008 0.000 1.098 151 L CA 0.365 55.206 54.840 0.002 0.000 0.840 151 L CB -0.220 41.830 42.059 -0.016 0.000 0.981 151 L HN -0.045 nan 8.230 nan 0.000 0.462 152 T N -0.219 114.333 114.554 -0.004 0.000 2.652 152 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 152 T C 1.388 176.069 174.700 -0.031 0.000 1.039 152 T CA 1.784 63.871 62.100 -0.023 0.000 1.153 152 T CB -0.168 68.683 68.868 -0.027 0.000 0.863 152 T HN 0.290 nan 8.240 nan 0.000 0.428 153 D N 1.092 121.480 120.400 -0.020 0.000 2.104 153 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 153 D C 2.002 178.298 176.300 -0.008 0.000 0.994 153 D CA 1.119 55.106 54.000 -0.021 0.000 0.830 153 D CB -0.396 40.395 40.800 -0.014 0.000 0.959 153 D HN 0.350 nan 8.370 nan 0.000 0.452 154 D N 0.050 120.459 120.400 0.015 0.000 2.183 154 D HA -0.038 4.602 4.640 -0.000 0.000 0.203 154 D C 2.203 178.553 176.300 0.084 0.000 0.969 154 D CA 0.392 54.418 54.000 0.044 0.000 0.842 154 D CB -0.042 40.790 40.800 0.053 0.000 0.957 154 D HN 0.223 nan 8.370 nan 0.000 0.484 155 R N 0.510 121.059 120.500 0.082 0.000 2.073 155 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 155 R C 2.546 178.817 176.300 -0.047 0.000 1.134 155 R CA 0.674 56.833 56.100 0.097 0.000 0.952 155 R CB -0.486 29.847 30.300 0.055 0.000 0.850 155 R HN 0.261 nan 8.270 nan 0.000 0.433 156 I N 1.241 121.767 120.570 -0.074 0.000 2.127 156 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 156 I C 2.592 178.700 176.117 -0.016 0.000 1.075 156 I CA 1.487 62.753 61.300 -0.057 0.000 1.334 156 I CB -0.368 37.577 38.000 -0.092 0.000 1.040 156 I HN 0.175 nan 8.210 nan 0.000 0.405 157 K N 0.501 120.889 120.400 -0.019 0.000 2.034 157 K HA -0.202 4.118 4.320 -0.000 0.000 0.214 157 K C 2.331 178.929 176.600 -0.003 0.000 1.051 157 K CA 2.119 58.388 56.287 -0.030 0.000 0.931 157 K CB -0.216 32.280 32.500 -0.007 0.000 0.715 157 K HN 0.240 nan 8.250 nan 0.000 0.446 158 S N 0.004 115.760 115.700 0.092 0.000 2.368 158 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 158 S C 1.408 176.135 174.600 0.211 0.000 1.030 158 S CA 1.176 59.486 58.200 0.184 0.000 0.999 158 S CB -0.318 63.101 63.200 0.365 0.000 0.844 158 S HN 0.445 nan 8.310 nan 0.000 0.459 159 W N 2.273 123.538 121.300 -0.058 0.000 2.381 159 W HA -0.067 4.593 4.660 -0.000 0.000 0.301 159 W C 2.017 178.426 176.519 -0.183 0.000 1.205 159 W CA 0.605 57.858 57.345 -0.152 0.000 1.285 159 W CB -0.708 28.467 29.460 -0.476 0.000 1.133 159 W HN -0.006 nan 8.180 nan 0.000 0.521 160 V N 1.267 121.024 119.914 -0.262 0.000 2.343 160 V HA -0.312 3.807 4.120 -0.000 0.000 0.247 160 V C 2.502 178.263 176.094 -0.554 0.000 1.051 160 V CA 2.273 64.182 62.300 -0.652 0.000 1.036 160 V CB -1.705 29.672 31.823 -0.743 0.000 0.654 160 V HN 0.275 nan 8.190 nan 0.000 0.451 161 A N -0.874 121.768 122.820 -0.297 0.000 1.933 161 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 161 A C 2.262 179.748 177.584 -0.164 0.000 1.175 161 A CA 2.139 54.060 52.037 -0.194 0.000 0.628 161 A CB -0.540 18.406 19.000 -0.091 0.000 0.814 161 A HN 0.629 nan 8.150 nan 0.000 0.444 162 Q N -0.308 119.403 119.800 -0.148 0.000 2.084 162 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 162 Q C 1.964 177.802 176.000 -0.270 0.000 0.978 162 Q CA 1.503 57.231 55.803 -0.124 0.000 0.844 162 Q CB -0.222 28.523 28.738 0.013 0.000 0.898 162 Q HN 0.691 nan 8.270 nan 0.000 0.426 163 L N 0.321 121.258 121.223 -0.476 0.000 2.141 163 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 163 L C 2.442 179.128 176.870 -0.307 0.000 1.094 163 L CA 1.172 55.642 54.840 -0.617 0.000 0.763 163 L CB -0.296 41.342 42.059 -0.701 0.000 0.908 163 L HN 0.144 nan 8.230 nan 0.000 0.437 164 K N -0.396 119.932 120.400 -0.120 0.000 2.097 164 K HA -0.170 4.149 4.320 -0.000 0.000 0.206 164 K C 2.447 179.034 176.600 -0.021 0.000 1.049 164 K CA 1.591 57.899 56.287 0.034 0.000 0.933 164 K CB -0.209 32.285 32.500 -0.010 0.000 0.717 164 K HN 0.173 nan 8.250 nan 0.000 0.442 165 S N 1.229 116.885 115.700 -0.073 0.000 2.338 165 S HA -0.177 4.292 4.470 -0.000 0.000 0.218 165 S C 1.849 176.420 174.600 -0.049 0.000 1.032 165 S CA 1.306 59.479 58.200 -0.045 0.000 0.999 165 S CB -0.138 63.039 63.200 -0.038 0.000 0.905 165 S HN 0.251 nan 8.310 nan 0.000 0.439 166 E N -0.364 119.762 120.200 -0.124 0.000 2.110 166 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 166 E C 1.762 178.334 176.600 -0.047 0.000 0.988 166 E CA 1.162 57.493 56.400 -0.114 0.000 0.804 166 E CB -0.249 29.343 29.700 -0.180 0.000 0.745 166 E HN 0.575 nan 8.360 nan 0.000 0.458 167 F N -0.017 119.875 119.950 -0.098 0.000 2.325 167 F HA 0.111 4.638 4.527 -0.000 0.000 0.299 167 F C 1.728 177.392 175.800 -0.226 0.000 1.090 167 F CA 1.060 58.902 58.000 -0.263 0.000 1.392 167 F CB -0.392 38.241 39.000 -0.611 0.000 1.053 167 F HN 0.061 nan 8.300 nan 0.000 0.521 168 G N 1.075 109.905 108.800 0.049 0.000 2.248 168 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 168 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 168 G C 0.070 174.985 174.900 0.025 0.000 1.085 168 G CA 0.005 45.134 45.100 0.049 0.000 0.845 168 G HN 0.269 nan 8.290 nan 0.000 0.494 169 L N 0.000 121.227 121.223 0.006 0.000 2.949 169 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 169 L CA 0.000 54.848 54.840 0.013 0.000 0.813 169 L CB 0.000 42.074 42.059 0.025 0.000 0.961 169 L HN 0.000 nan 8.230 nan 0.000 0.502