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 2dei_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKVKSPGRV NLIGEHTDYT YGYVMPMAIN LYTKIEAEKH GEVILYSEHF DATA SEQUENCE GEERKFSLND LRKENSWIDY VKGIFWVLKE SDYEVGGIKG RVSGNLPLGA DATA SEQUENCE GLSSSASFEV GILETLDKLY NLKLDSLSKV LLAKKAENEF VGVPCGILDQ DATA SEQUENCE FAVVFGREGN VIFLDTHTLD YEYIPFPKDV SILVFYTGVR RELASSEYAE DATA SEQUENCE RKHIAEESLK ILGKGSSKEV REGELSKLPP LHRKFFGYIV RENARVLEVR DATA SEQUENCE DALKEGNVEE VGKILTTAHW DLAKNYEVSC KELDFFVERA LKLGAYGARL DATA SEQUENCE TGAGFGGSAI ALVDKEDAET IGEEILREYL KRFPWKARHF IVEPSDGVGI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.289 55.300 -0.019 0.000 0.988 1 M CB 0.000 32.593 32.600 -0.011 0.000 1.302 2 I N -0.209 120.347 120.570 -0.023 0.000 2.846 2 I HA 0.748 4.916 4.170 -0.004 0.000 0.307 2 I C -1.277 174.830 176.117 -0.017 0.000 1.053 2 I CA -0.691 60.593 61.300 -0.027 0.000 1.050 2 I CB 2.483 40.460 38.000 -0.037 0.000 1.239 2 I HN 0.658 nan 8.210 nan 0.000 0.439 3 K N 3.638 124.023 120.400 -0.024 0.000 2.376 3 K HA 0.691 5.008 4.320 -0.004 0.000 0.257 3 K C -1.468 175.112 176.600 -0.033 0.000 0.939 3 K CA -0.749 55.523 56.287 -0.023 0.000 0.809 3 K CB 2.629 35.109 32.500 -0.033 0.000 1.121 3 K HN 0.479 nan 8.250 nan 0.000 0.425 4 V N 3.230 123.131 119.914 -0.022 0.000 2.581 4 V HA 0.379 4.497 4.120 -0.004 0.000 0.303 4 V C -0.550 175.524 176.094 -0.032 0.000 1.041 4 V CA -0.866 61.418 62.300 -0.027 0.000 0.907 4 V CB 1.827 33.645 31.823 -0.007 0.000 0.994 4 V HN 0.644 nan 8.190 nan 0.000 0.442 5 K N 2.147 122.511 120.400 -0.061 0.000 2.358 5 K HA 0.596 4.914 4.320 -0.004 0.000 0.260 5 K C -0.817 175.809 176.600 0.043 0.000 0.956 5 K CA -0.252 55.991 56.287 -0.075 0.000 0.834 5 K CB 1.926 34.236 32.500 -0.317 0.000 1.102 5 K HN 0.613 nan 8.250 nan 0.000 0.431 6 S N 4.190 119.980 115.700 0.151 0.000 2.552 6 S HA 0.489 4.957 4.470 -0.004 0.000 0.314 6 S C -2.547 172.176 174.600 0.206 0.000 1.099 6 S CA -1.811 56.479 58.200 0.150 0.000 1.070 6 S CB 0.868 64.119 63.200 0.085 0.000 0.998 6 S HN 0.334 nan 8.310 nan 0.000 0.474 7 P HA 0.335 nan 4.420 nan 0.000 0.276 7 P C 0.411 177.629 177.300 -0.137 0.000 1.252 7 P CA -0.244 62.792 63.100 -0.105 0.000 0.802 7 P CB 0.503 32.133 31.700 -0.118 0.000 1.035 8 G N 0.801 109.453 108.800 -0.247 0.000 2.510 8 G HA2 0.579 4.537 3.960 -0.004 0.000 0.280 8 G HA3 0.579 4.537 3.960 -0.004 0.000 0.280 8 G C -0.418 174.387 174.900 -0.159 0.000 1.386 8 G CA -0.531 44.453 45.100 -0.194 0.000 1.047 8 G HN 0.746 nan 8.290 nan 0.000 0.527 9 R N -2.854 117.564 120.500 -0.136 0.000 2.739 9 R HA 0.692 5.030 4.340 -0.004 0.000 0.271 9 R C -1.931 174.313 176.300 -0.093 0.000 1.010 9 R CA -0.757 55.288 56.100 -0.092 0.000 0.897 9 R CB 1.537 31.814 30.300 -0.038 0.000 1.236 9 R HN 0.470 nan 8.270 nan 0.000 0.466 10 V N 1.806 121.677 119.914 -0.071 0.000 2.656 10 V HA 0.469 4.587 4.120 -0.004 0.000 0.307 10 V C -1.043 175.038 176.094 -0.022 0.000 1.051 10 V CA -0.926 61.342 62.300 -0.053 0.000 0.893 10 V CB 2.148 33.932 31.823 -0.066 0.000 0.999 10 V HN 0.834 nan 8.190 nan 0.000 0.426 11 N N 2.528 121.225 118.700 -0.005 0.000 2.422 11 N HA 0.291 5.029 4.740 -0.004 0.000 0.266 11 N C 0.385 175.914 175.510 0.031 0.000 1.007 11 N CA -0.407 52.651 53.050 0.013 0.000 0.941 11 N CB 1.579 40.071 38.487 0.008 0.000 1.115 11 N HN 0.612 nan 8.380 nan 0.000 0.492 12 L N 4.295 125.547 121.223 0.049 0.000 2.044 12 L HA 0.423 4.761 4.340 -0.004 0.000 0.205 12 L C 0.200 177.117 176.870 0.080 0.000 1.075 12 L CA 1.393 56.279 54.840 0.077 0.000 0.747 12 L CB -0.166 41.962 42.059 0.115 0.000 0.903 12 L HN 0.702 nan 8.230 nan 0.000 0.435 13 I N -1.838 118.775 120.570 0.071 0.000 2.984 13 I HA 0.567 4.734 4.170 -0.004 0.000 0.303 13 I C -0.347 175.800 176.117 0.050 0.000 1.381 13 I CA 0.165 61.502 61.300 0.063 0.000 0.988 13 I CB 1.825 39.864 38.000 0.064 0.000 1.307 13 I HN 0.168 nan 8.210 nan 0.000 0.460 14 G N 3.558 112.376 108.800 0.030 0.000 2.683 14 G HA2 -0.089 3.869 3.960 -0.004 0.000 0.234 14 G HA3 -0.089 3.869 3.960 -0.004 0.000 0.234 14 G C -0.646 174.235 174.900 -0.030 0.000 1.135 14 G CA -0.101 44.998 45.100 -0.002 0.000 0.975 14 G HN 0.749 nan 8.290 nan 0.000 0.511 15 E N 0.388 120.594 120.200 0.010 0.000 2.216 15 E HA 0.633 4.980 4.350 -0.004 0.000 0.279 15 E C 1.170 177.777 176.600 0.012 0.000 0.997 15 E CA -0.497 55.905 56.400 0.004 0.000 0.817 15 E CB 0.324 30.078 29.700 0.090 0.000 1.096 15 E HN 0.393 nan 8.360 nan 0.000 0.393 16 H N 1.878 120.862 119.070 -0.144 0.000 2.791 16 H HA -0.163 4.391 4.556 -0.003 0.000 0.302 16 H C 0.473 175.417 175.328 -0.640 0.000 1.198 16 H CA 1.332 57.159 56.048 -0.368 0.000 1.145 16 H CB -1.697 27.830 29.762 -0.392 0.000 1.385 16 H HN 0.608 nan 8.280 nan 0.000 0.409 17 T N -3.809 110.473 114.554 -0.454 0.000 2.969 17 T HA -0.043 4.305 4.350 -0.004 0.000 0.250 17 T C 1.620 176.021 174.700 -0.499 0.000 1.021 17 T CA 0.449 62.268 62.100 -0.469 0.000 1.003 17 T CB 0.358 69.051 68.868 -0.291 0.000 1.040 17 T HN 0.290 nan 8.240 nan 0.000 0.492 18 D N 2.439 122.583 120.400 -0.427 0.000 2.178 18 D HA -0.194 4.444 4.640 -0.004 0.000 0.202 18 D C 1.762 177.846 176.300 -0.360 0.000 0.974 18 D CA 1.097 54.922 54.000 -0.292 0.000 0.841 18 D CB -0.978 39.742 40.800 -0.134 0.000 0.953 18 D HN 0.735 nan 8.370 nan 0.000 0.478 19 Y N 0.269 120.412 120.300 -0.262 0.000 2.578 19 Y HA 0.254 4.802 4.550 -0.004 0.000 0.297 19 Y C 1.406 177.027 175.900 -0.466 0.000 1.176 19 Y CA 0.644 58.531 58.100 -0.355 0.000 1.315 19 Y CB -0.666 37.695 38.460 -0.164 0.000 1.031 19 Y HN 0.030 nan 8.280 nan 0.000 0.524 20 T N -4.707 109.583 114.554 -0.440 0.000 3.174 20 T HA 0.163 4.510 4.350 -0.004 0.000 0.269 20 T C -0.547 174.000 174.700 -0.255 0.000 1.017 20 T CA -0.488 61.449 62.100 -0.272 0.000 0.899 20 T CB -1.086 67.707 68.868 -0.126 0.000 1.077 20 T HN 0.362 nan 8.240 nan 0.000 0.552 21 Y N -0.046 120.181 120.300 -0.122 0.000 3.477 21 Y HA -0.140 4.408 4.550 -0.002 0.000 0.216 21 Y C 1.175 176.905 175.900 -0.283 0.000 1.296 21 Y CA 0.054 58.062 58.100 -0.153 0.000 1.535 21 Y CB -2.080 36.315 38.460 -0.108 0.000 1.482 21 Y HN 0.598 nan 8.280 nan 0.000 0.597 22 G N -1.560 107.083 108.800 -0.263 0.000 2.574 22 G HA2 0.510 4.468 3.960 -0.004 0.000 0.248 22 G HA3 0.510 4.468 3.960 -0.004 0.000 0.248 22 G C -0.765 173.887 174.900 -0.414 0.000 1.422 22 G CA -0.909 43.953 45.100 -0.396 0.000 1.051 22 G HN 0.204 nan 8.290 nan 0.000 0.560 23 Y N -0.867 119.350 120.300 -0.139 0.000 2.334 23 Y HA 0.467 5.015 4.550 -0.004 0.000 0.328 23 Y C 0.661 176.466 175.900 -0.158 0.000 1.130 23 Y CA -0.645 57.350 58.100 -0.175 0.000 1.163 23 Y CB 1.946 40.386 38.460 -0.034 0.000 1.207 23 Y HN 0.370 nan 8.280 nan 0.000 0.471 24 V N 0.918 120.811 119.914 -0.036 0.000 3.078 24 V HA 0.629 4.747 4.120 -0.004 0.000 0.311 24 V C -0.797 175.293 176.094 -0.007 0.000 1.138 24 V CA -1.202 61.075 62.300 -0.039 0.000 1.007 24 V CB 2.376 34.141 31.823 -0.097 0.000 1.045 24 V HN 0.892 nan 8.190 nan 0.000 0.432 25 M N 4.030 123.656 119.600 0.044 0.000 2.400 25 M HA 0.478 4.956 4.480 -0.004 0.000 0.241 25 M C -2.995 173.351 176.300 0.077 0.000 1.158 25 M CA -1.322 54.036 55.300 0.096 0.000 0.613 25 M CB 1.755 34.455 32.600 0.167 0.000 1.615 25 M HN 0.693 nan 8.290 nan 0.000 0.371 26 P HA 0.563 nan 4.420 nan 0.000 0.284 26 P C -1.366 175.979 177.300 0.075 0.000 1.287 26 P CA -0.636 62.496 63.100 0.054 0.000 0.824 26 P CB 1.274 33.005 31.700 0.051 0.000 1.180 27 M N -1.535 118.089 119.600 0.039 0.000 2.484 27 M HA 0.788 5.265 4.480 -0.004 0.000 0.289 27 M C -1.007 175.297 176.300 0.007 0.000 1.206 27 M CA -1.205 54.117 55.300 0.036 0.000 0.892 27 M CB 2.294 34.870 32.600 -0.040 0.000 1.712 27 M HN 0.200 nan 8.290 nan 0.000 0.462 28 A N 3.071 125.905 122.820 0.023 0.000 2.371 28 A HA 0.749 5.066 4.320 -0.004 0.000 0.257 28 A C -0.157 177.374 177.584 -0.088 0.000 1.089 28 A CA -0.708 51.313 52.037 -0.027 0.000 0.794 28 A CB 0.071 19.077 19.000 0.009 0.000 1.029 28 A HN 0.938 nan 8.150 nan 0.000 0.488 29 I N -0.787 119.682 120.570 -0.168 0.000 3.023 29 I HA 0.497 4.665 4.170 -0.004 0.000 0.312 29 I C 0.085 175.979 176.117 -0.371 0.000 1.056 29 I CA -1.249 59.919 61.300 -0.219 0.000 1.033 29 I CB 1.982 39.848 38.000 -0.222 0.000 1.233 29 I HN 0.576 nan 8.210 nan 0.000 0.462 30 N N 4.033 122.542 118.700 -0.318 0.000 3.091 30 N HA 0.298 5.036 4.740 -0.004 0.000 0.301 30 N C -1.091 174.101 175.510 -0.530 0.000 1.325 30 N CA -0.122 52.687 53.050 -0.401 0.000 1.143 30 N CB -0.132 38.343 38.487 -0.020 0.000 1.450 30 N HN 0.662 nan 8.380 nan 0.000 0.542 31 L N 0.853 121.592 121.223 -0.808 0.000 2.408 31 L HA 0.513 4.851 4.340 -0.004 0.000 0.268 31 L C -1.222 175.211 176.870 -0.728 0.000 0.986 31 L CA -0.979 53.522 54.840 -0.565 0.000 0.820 31 L CB 1.509 43.307 42.059 -0.435 0.000 1.303 31 L HN 0.052 nan 8.230 nan 0.000 0.411 32 Y N -0.190 120.039 120.300 -0.117 0.000 2.524 32 Y HA 0.422 4.970 4.550 -0.004 0.000 0.347 32 Y C 0.127 175.969 175.900 -0.097 0.000 1.005 32 Y CA -0.832 57.213 58.100 -0.091 0.000 1.025 32 Y CB 2.537 40.959 38.460 -0.063 0.000 1.275 32 Y HN 0.366 nan 8.280 nan 0.000 0.460 33 T N 3.146 117.757 114.554 0.096 0.000 2.806 33 T HA 0.380 4.728 4.350 -0.004 0.000 0.290 33 T C -0.545 174.208 174.700 0.088 0.000 0.966 33 T CA -0.820 61.310 62.100 0.049 0.000 1.060 33 T CB 0.333 69.234 68.868 0.055 0.000 0.927 33 T HN 0.336 nan 8.240 nan 0.000 0.485 34 K N 2.747 123.178 120.400 0.051 0.000 2.270 34 K HA 0.648 4.966 4.320 -0.004 0.000 0.255 34 K C -0.881 175.753 176.600 0.057 0.000 0.936 34 K CA -0.645 55.663 56.287 0.035 0.000 0.809 34 K CB 1.807 34.310 32.500 0.006 0.000 1.131 34 K HN 0.486 nan 8.250 nan 0.000 0.427 35 I N 1.779 122.385 120.570 0.060 0.000 2.499 35 I HA 0.214 4.382 4.170 -0.004 0.000 0.288 35 I C -0.701 175.448 176.117 0.054 0.000 1.048 35 I CA -0.520 60.832 61.300 0.087 0.000 1.062 35 I CB 2.103 40.175 38.000 0.120 0.000 1.238 35 I HN 0.561 nan 8.210 nan 0.000 0.426 36 E N 5.782 126.016 120.200 0.057 0.000 2.155 36 E HA 0.808 5.156 4.350 -0.004 0.000 0.264 36 E C -1.431 175.198 176.600 0.047 0.000 0.886 36 E CA -0.530 55.891 56.400 0.035 0.000 0.752 36 E CB 1.636 31.351 29.700 0.025 0.000 1.133 36 E HN 0.748 nan 8.360 nan 0.000 0.414 37 A N 4.096 126.938 122.820 0.036 0.000 2.609 37 A HA 0.610 4.928 4.320 -0.004 0.000 0.291 37 A C -1.337 176.261 177.584 0.024 0.000 1.096 37 A CA -0.840 51.224 52.037 0.045 0.000 0.684 37 A CB 1.503 20.548 19.000 0.074 0.000 1.282 37 A HN 0.724 nan 8.150 nan 0.000 0.412 38 E N 0.521 120.741 120.200 0.033 0.000 2.433 38 E HA 0.549 4.897 4.350 -0.004 0.000 0.273 38 E C -1.087 175.544 176.600 0.052 0.000 0.950 38 E CA -1.079 55.331 56.400 0.017 0.000 0.796 38 E CB 1.277 30.990 29.700 0.021 0.000 1.330 38 E HN 0.478 nan 8.360 nan 0.000 0.455 39 K N 0.596 121.006 120.400 0.017 0.000 2.319 39 K HA 0.178 4.496 4.320 -0.004 0.000 0.265 39 K C -0.292 176.419 176.600 0.186 0.000 1.000 39 K CA 0.069 56.403 56.287 0.078 0.000 0.943 39 K CB 0.405 32.892 32.500 -0.021 0.000 0.950 39 K HN 0.410 nan 8.250 nan 0.000 0.485 40 H N -0.843 118.284 119.070 0.095 0.000 3.014 40 H HA 0.121 4.675 4.556 -0.004 0.000 0.337 40 H C 0.501 175.854 175.328 0.042 0.000 1.320 40 H CA -0.203 55.873 56.048 0.047 0.000 1.128 40 H CB 2.049 31.820 29.762 0.016 0.000 1.862 40 H HN 0.702 nan 8.280 nan 0.000 0.536 41 G N 0.685 109.234 108.800 -0.419 0.000 2.448 41 G HA2 -0.056 3.902 3.960 -0.004 0.000 0.218 41 G HA3 -0.056 3.902 3.960 -0.004 0.000 0.218 41 G C 0.306 175.166 174.900 -0.068 0.000 1.135 41 G CA 0.801 45.777 45.100 -0.207 0.000 0.784 41 G HN 0.701 nan 8.290 nan 0.000 0.543 42 E N -1.331 118.927 120.200 0.096 0.000 2.476 42 E HA 0.599 4.947 4.350 -0.004 0.000 0.246 42 E C -1.621 174.910 176.600 -0.115 0.000 0.872 42 E CA -0.951 55.430 56.400 -0.032 0.000 0.867 42 E CB 1.577 31.249 29.700 -0.046 0.000 1.533 42 E HN -0.146 nan 8.360 nan 0.000 0.399 43 V N 1.379 120.995 119.914 -0.498 0.000 2.347 43 V HA 0.398 4.516 4.120 -0.004 0.000 0.280 43 V C -0.433 175.396 176.094 -0.442 0.000 1.021 43 V CA -0.455 61.461 62.300 -0.639 0.000 0.847 43 V CB 0.540 31.470 31.823 -1.488 0.000 0.990 43 V HN 0.458 nan 8.190 nan 0.000 0.444 44 I N 6.579 127.012 120.570 -0.228 0.000 2.468 44 I HA 0.529 4.697 4.170 -0.004 0.000 0.285 44 I C -0.886 175.245 176.117 0.023 0.000 1.039 44 I CA -0.288 60.941 61.300 -0.119 0.000 1.074 44 I CB 1.811 39.692 38.000 -0.198 0.000 1.228 44 I HN 0.362 nan 8.210 nan 0.000 0.436 45 L N 6.157 127.478 121.223 0.164 0.000 2.408 45 L HA 0.455 4.793 4.340 -0.004 0.000 0.268 45 L C -1.265 175.862 176.870 0.428 0.000 0.986 45 L CA -0.856 54.172 54.840 0.313 0.000 0.820 45 L CB 2.482 44.815 42.059 0.456 0.000 1.303 45 L HN 0.437 nan 8.230 nan 0.000 0.411 46 Y N 2.137 122.571 120.300 0.224 0.000 2.335 46 Y HA 0.400 4.948 4.550 -0.004 0.000 0.339 46 Y C 0.168 176.122 175.900 0.089 0.000 0.987 46 Y CA -0.198 58.012 58.100 0.183 0.000 1.140 46 Y CB 1.786 40.304 38.460 0.097 0.000 1.173 46 Y HN 0.513 nan 8.280 nan 0.000 0.486 47 S N 4.861 120.227 115.700 -0.557 0.000 2.410 47 S HA 0.140 4.608 4.470 -0.004 0.000 0.304 47 S C 0.949 175.146 174.600 -0.671 0.000 1.095 47 S CA -0.630 57.187 58.200 -0.639 0.000 1.089 47 S CB 0.716 63.262 63.200 -1.090 0.000 0.968 47 S HN 0.919 nan 8.310 nan 0.000 0.480 48 E N 3.847 123.879 120.200 -0.280 0.000 2.118 48 E HA -0.221 4.127 4.350 -0.004 0.000 0.195 48 E C 1.433 177.916 176.600 -0.196 0.000 0.992 48 E CA 2.108 58.455 56.400 -0.088 0.000 0.804 48 E CB -0.452 29.278 29.700 0.051 0.000 0.741 48 E HN 0.960 nan 8.360 nan 0.000 0.458 49 H N -1.389 117.456 119.070 -0.375 0.000 2.319 49 H HA -0.111 4.443 4.556 -0.003 0.000 0.299 49 H C 1.413 176.400 175.328 -0.569 0.000 1.092 49 H CA 2.315 58.063 56.048 -0.500 0.000 1.302 49 H CB -0.319 29.027 29.762 -0.692 0.000 1.373 49 H HN 0.258 nan 8.280 nan 0.000 0.497 50 F N -0.405 119.352 119.950 -0.321 0.000 2.710 50 F HA 0.192 4.717 4.527 -0.004 0.000 0.298 50 F C 1.916 177.585 175.800 -0.218 0.000 1.137 50 F CA 0.575 58.421 58.000 -0.256 0.000 1.444 50 F CB 0.164 39.009 39.000 -0.258 0.000 1.111 50 F HN 0.390 nan 8.300 nan 0.000 0.580 51 G N 1.635 110.332 108.800 -0.171 0.000 2.295 51 G HA2 -0.273 3.685 3.960 -0.004 0.000 0.287 51 G HA3 -0.273 3.685 3.960 -0.004 0.000 0.287 51 G C -0.148 174.727 174.900 -0.042 0.000 1.055 51 G CA 0.591 45.645 45.100 -0.078 0.000 0.922 51 G HN 0.534 nan 8.290 nan 0.000 0.503 52 E N -1.364 118.642 120.200 -0.322 0.000 2.407 52 E HA 0.600 4.948 4.350 -0.004 0.000 0.279 52 E C -0.942 175.676 176.600 0.029 0.000 1.012 52 E CA -1.166 55.240 56.400 0.010 0.000 0.800 52 E CB 1.346 31.157 29.700 0.186 0.000 1.276 52 E HN 0.203 nan 8.360 nan 0.000 0.452 53 E N 1.994 122.364 120.200 0.283 0.000 2.191 53 E HA 0.378 4.726 4.350 -0.004 0.000 0.278 53 E C -0.937 175.805 176.600 0.236 0.000 0.972 53 E CA -0.617 55.983 56.400 0.334 0.000 0.804 53 E CB 1.232 31.120 29.700 0.314 0.000 1.110 53 E HN 0.404 nan 8.360 nan 0.000 0.394 54 R N 2.820 123.442 120.500 0.203 0.000 2.750 54 R HA 0.445 4.783 4.340 -0.004 0.000 0.281 54 R C -0.891 175.413 176.300 0.006 0.000 0.972 54 R CA -0.865 55.212 56.100 -0.038 0.000 0.912 54 R CB 2.099 32.117 30.300 -0.470 0.000 1.187 54 R HN 0.583 nan 8.270 nan 0.000 0.464 55 K N 1.414 121.818 120.400 0.008 0.000 2.512 55 K HA 0.622 4.940 4.320 -0.004 0.000 0.263 55 K C -1.300 175.358 176.600 0.097 0.000 0.966 55 K CA -0.877 55.401 56.287 -0.015 0.000 0.851 55 K CB 1.963 34.438 32.500 -0.042 0.000 1.395 55 K HN 0.440 nan 8.250 nan 0.000 0.440 56 F N -2.247 117.638 119.950 -0.108 0.000 2.654 56 F HA 0.491 5.015 4.527 -0.004 0.000 0.308 56 F C -0.513 175.219 175.800 -0.114 0.000 1.108 56 F CA -1.147 56.786 58.000 -0.113 0.000 0.957 56 F CB 1.500 40.417 39.000 -0.138 0.000 1.309 56 F HN 0.553 nan 8.300 nan 0.000 0.446 57 S N 1.740 117.473 115.700 0.055 0.000 2.572 57 S HA 0.260 4.728 4.470 -0.004 0.000 0.279 57 S C 1.036 175.650 174.600 0.023 0.000 1.341 57 S CA -0.596 57.594 58.200 -0.016 0.000 1.043 57 S CB 0.568 63.783 63.200 0.025 0.000 0.887 57 S HN 0.834 nan 8.310 nan 0.000 0.516 58 L N 3.979 125.153 121.223 -0.081 0.000 2.261 58 L HA -0.150 4.188 4.340 -0.004 0.000 0.216 58 L C 2.026 178.929 176.870 0.055 0.000 1.114 58 L CA 1.319 56.132 54.840 -0.045 0.000 0.777 58 L CB -0.628 41.391 42.059 -0.067 0.000 0.910 58 L HN 0.747 nan 8.230 nan 0.000 0.440 59 N N -0.837 117.892 118.700 0.049 0.000 2.453 59 N HA -0.136 4.602 4.740 -0.004 0.000 0.183 59 N C 0.352 175.907 175.510 0.075 0.000 1.041 59 N CA 0.397 53.480 53.050 0.055 0.000 0.900 59 N CB 0.120 38.629 38.487 0.036 0.000 0.961 59 N HN 0.134 nan 8.380 nan 0.000 0.443 60 D N 0.529 120.994 120.400 0.108 0.000 2.460 60 D HA 0.164 4.802 4.640 -0.004 0.000 0.268 60 D C -0.399 175.913 176.300 0.020 0.000 1.153 60 D CA -0.247 53.801 54.000 0.080 0.000 0.929 60 D CB 0.257 41.111 40.800 0.090 0.000 1.015 60 D HN 0.064 nan 8.370 nan 0.000 0.502 61 L N 2.494 123.735 121.223 0.030 0.000 2.912 61 L HA 0.336 4.674 4.340 -0.004 0.000 0.240 61 L C 0.928 177.861 176.870 0.105 0.000 1.262 61 L CA -0.301 54.539 54.840 0.000 0.000 1.058 61 L CB -0.041 42.100 42.059 0.136 0.000 1.383 61 L HN -0.052 nan 8.230 nan 0.000 0.512 62 R N 1.197 121.700 120.500 0.005 0.000 2.491 62 R HA 0.185 4.523 4.340 -0.004 0.000 0.283 62 R C 0.179 176.434 176.300 -0.075 0.000 1.072 62 R CA -0.316 55.763 56.100 -0.036 0.000 1.048 62 R CB 0.791 31.059 30.300 -0.054 0.000 0.983 62 R HN 0.120 nan 8.270 nan 0.000 0.450 63 K N 2.424 122.712 120.400 -0.188 0.000 2.489 63 K HA -0.103 4.215 4.320 -0.004 0.000 0.278 63 K C 0.370 176.863 176.600 -0.179 0.000 1.000 63 K CA 0.727 56.865 56.287 -0.247 0.000 1.012 63 K CB 0.534 32.780 32.500 -0.423 0.000 0.903 63 K HN 0.633 nan 8.250 nan 0.000 0.485 64 E N 1.594 121.695 120.200 -0.165 0.000 2.562 64 E HA 0.011 4.359 4.350 -0.004 0.000 0.214 64 E C -0.703 175.813 176.600 -0.139 0.000 0.979 64 E CA -0.166 56.145 56.400 -0.149 0.000 1.002 64 E CB 0.327 29.928 29.700 -0.165 0.000 1.048 64 E HN 0.573 nan 8.360 nan 0.000 0.488 65 N N 1.783 120.397 118.700 -0.144 0.000 2.725 65 N HA -0.153 4.585 4.740 -0.004 0.000 0.251 65 N C -0.671 174.785 175.510 -0.090 0.000 1.031 65 N CA 1.456 54.438 53.050 -0.112 0.000 0.720 65 N CB -1.508 36.922 38.487 -0.095 0.000 0.930 65 N HN 0.349 nan 8.380 nan 0.000 0.543 66 S N -1.247 114.385 115.700 -0.114 0.000 2.705 66 S HA 0.565 5.033 4.470 -0.004 0.000 0.280 66 S C 1.138 175.704 174.600 -0.058 0.000 1.174 66 S CA -0.552 57.569 58.200 -0.132 0.000 0.823 66 S CB 1.007 64.031 63.200 -0.294 0.000 1.162 66 S HN 0.342 nan 8.310 nan 0.000 0.487 67 W N 0.186 121.439 121.300 -0.078 0.000 2.364 67 W HA -0.028 4.630 4.660 -0.004 0.000 0.281 67 W C 1.142 177.832 176.519 0.284 0.000 1.219 67 W CA 0.699 58.106 57.345 0.104 0.000 1.220 67 W CB -0.847 28.469 29.460 -0.240 0.000 1.127 67 W HN 0.568 nan 8.180 nan 0.000 0.556 68 I N 2.775 123.065 120.570 -0.466 0.000 2.567 68 I HA -0.245 3.922 4.170 -0.004 0.000 0.257 68 I C 1.676 177.745 176.117 -0.078 0.000 1.184 68 I CA 1.575 62.659 61.300 -0.359 0.000 1.451 68 I CB -0.643 36.998 38.000 -0.598 0.000 1.089 68 I HN -0.220 nan 8.210 nan 0.000 0.441 69 D N -0.377 119.988 120.400 -0.058 0.000 2.221 69 D HA -0.239 4.398 4.640 -0.004 0.000 0.204 69 D C 1.939 178.206 176.300 -0.055 0.000 0.982 69 D CA 1.497 55.478 54.000 -0.031 0.000 0.857 69 D CB -0.303 40.448 40.800 -0.082 0.000 0.934 69 D HN 0.443 nan 8.370 nan 0.000 0.475 70 Y N 0.200 120.580 120.300 0.133 0.000 2.314 70 Y HA -0.103 4.445 4.550 -0.004 0.000 0.293 70 Y C 2.454 178.300 175.900 -0.090 0.000 1.129 70 Y CA 0.358 58.505 58.100 0.078 0.000 1.201 70 Y CB -0.241 38.355 38.460 0.226 0.000 0.999 70 Y HN -0.142 nan 8.280 nan 0.000 0.541 71 V N 0.041 120.014 119.914 0.098 0.000 2.323 71 V HA -0.239 3.879 4.120 -0.004 0.000 0.244 71 V C 2.051 178.230 176.094 0.141 0.000 1.041 71 V CA 1.659 64.030 62.300 0.118 0.000 1.025 71 V CB -0.509 31.522 31.823 0.346 0.000 0.656 71 V HN 0.298 nan 8.190 nan 0.000 0.451 72 K N 0.643 120.928 120.400 -0.192 0.000 2.103 72 K HA -0.139 4.179 4.320 -0.004 0.000 0.207 72 K C 2.231 178.394 176.600 -0.729 0.000 1.048 72 K CA 1.522 57.483 56.287 -0.543 0.000 0.930 72 K CB -0.648 31.371 32.500 -0.802 0.000 0.716 72 K HN 0.562 nan 8.250 nan 0.000 0.444 73 G N 1.704 109.989 108.800 -0.858 0.000 2.422 73 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.218 73 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.218 73 G C 1.447 176.237 174.900 -0.182 0.000 1.146 73 G CA 0.427 45.045 45.100 -0.803 0.000 0.769 73 G HN 0.057 nan 8.290 nan 0.000 0.547 74 I N 0.258 120.764 120.570 -0.106 0.000 2.202 74 I HA -0.029 4.139 4.170 -0.004 0.000 0.242 74 I C 2.550 178.592 176.117 -0.126 0.000 1.091 74 I CA 0.799 62.039 61.300 -0.101 0.000 1.368 74 I CB -1.295 36.601 38.000 -0.173 0.000 1.058 74 I HN 0.094 nan 8.210 nan 0.000 0.410 75 F N -0.186 119.731 119.950 -0.055 0.000 2.126 75 F HA -0.274 4.251 4.527 -0.003 0.000 0.299 75 F C 2.546 178.338 175.800 -0.014 0.000 1.096 75 F CA 1.893 59.885 58.000 -0.013 0.000 1.255 75 F CB -0.885 38.168 39.000 0.088 0.000 0.997 75 F HN 0.123 nan 8.300 nan 0.000 0.479 76 W N 0.099 121.347 121.300 -0.086 0.000 2.335 76 W HA -0.210 4.450 4.660 -0.001 0.000 0.311 76 W C 2.453 178.955 176.519 -0.028 0.000 1.213 76 W CA 1.919 59.207 57.345 -0.095 0.000 1.274 76 W CB -0.738 28.563 29.460 -0.265 0.000 1.148 76 W HN -0.154 nan 8.180 nan 0.000 0.498 77 V N 1.142 121.053 119.914 -0.006 0.000 2.515 77 V HA -0.237 3.881 4.120 -0.004 0.000 0.250 77 V C 2.152 178.130 176.094 -0.193 0.000 1.058 77 V CA 2.122 64.294 62.300 -0.213 0.000 1.064 77 V CB -0.522 31.336 31.823 0.059 0.000 0.675 77 V HN 0.282 nan 8.190 nan 0.000 0.461 78 L N -0.226 120.924 121.223 -0.121 0.000 2.056 78 L HA -0.165 4.172 4.340 -0.004 0.000 0.207 78 L C 2.595 179.465 176.870 -0.000 0.000 1.078 78 L CA 2.142 56.956 54.840 -0.043 0.000 0.749 78 L CB -0.634 41.334 42.059 -0.151 0.000 0.901 78 L HN 0.286 nan 8.230 nan 0.000 0.433 79 K N 0.297 120.648 120.400 -0.082 0.000 2.057 79 K HA -0.260 4.058 4.320 -0.004 0.000 0.207 79 K C 2.023 178.509 176.600 -0.190 0.000 1.049 79 K CA 1.721 57.949 56.287 -0.097 0.000 0.931 79 K CB 0.074 32.531 32.500 -0.072 0.000 0.714 79 K HN 0.052 nan 8.250 nan 0.000 0.440 80 E N 0.048 120.023 120.200 -0.375 0.000 2.274 80 E HA -0.023 4.325 4.350 -0.004 0.000 0.194 80 E C 0.757 177.209 176.600 -0.247 0.000 0.996 80 E CA 0.952 57.100 56.400 -0.421 0.000 0.840 80 E CB 0.246 29.449 29.700 -0.829 0.000 0.772 80 E HN 0.164 nan 8.360 nan 0.000 0.491 81 S N 0.265 115.867 115.700 -0.163 0.000 2.572 81 S HA 0.071 4.539 4.470 -0.004 0.000 0.228 81 S C -0.304 174.198 174.600 -0.163 0.000 0.963 81 S CA 0.393 58.541 58.200 -0.087 0.000 0.939 81 S CB 0.230 63.456 63.200 0.043 0.000 0.804 81 S HN 0.297 nan 8.310 nan 0.000 0.480 82 D N 0.359 120.665 120.400 -0.157 0.000 2.809 82 D HA -0.183 4.455 4.640 -0.004 0.000 0.234 82 D C -1.218 174.887 176.300 -0.325 0.000 1.111 82 D CA 0.590 54.462 54.000 -0.214 0.000 0.726 82 D CB -1.778 38.884 40.800 -0.231 0.000 1.089 82 D HN 0.482 nan 8.370 nan 0.000 0.436 83 Y N -0.040 120.206 120.300 -0.089 0.000 2.429 83 Y HA 0.526 5.075 4.550 -0.001 0.000 0.342 83 Y C 0.824 176.672 175.900 -0.086 0.000 1.004 83 Y CA -0.829 57.222 58.100 -0.082 0.000 1.075 83 Y CB 1.456 39.858 38.460 -0.097 0.000 1.214 83 Y HN -0.158 nan 8.280 nan 0.000 0.455 84 E N 3.235 123.485 120.200 0.084 0.000 2.113 84 E HA 0.439 4.787 4.350 -0.004 0.000 0.273 84 E C -1.078 175.474 176.600 -0.080 0.000 0.924 84 E CA -0.399 56.001 56.400 0.000 0.000 0.764 84 E CB 1.713 31.409 29.700 -0.007 0.000 1.104 84 E HN 0.504 nan 8.360 nan 0.000 0.406 85 V N -0.155 119.653 119.914 -0.177 0.000 3.001 85 V HA 0.930 5.048 4.120 -0.004 0.000 0.314 85 V C 0.334 176.139 176.094 -0.482 0.000 1.099 85 V CA -0.830 61.154 62.300 -0.527 0.000 0.989 85 V CB 1.801 33.326 31.823 -0.497 0.000 1.040 85 V HN 0.560 nan 8.190 nan 0.000 0.434 86 G N 0.405 108.618 108.800 -0.978 0.000 2.642 86 G HA2 0.694 4.652 3.960 -0.004 0.000 0.291 86 G HA3 0.694 4.652 3.960 -0.004 0.000 0.291 86 G C 0.183 175.112 174.900 0.049 0.000 1.345 86 G CA -0.362 44.572 45.100 -0.277 0.000 1.043 86 G HN 1.348 nan 8.290 nan 0.000 0.528 87 G N -1.307 107.583 108.800 0.150 0.000 2.621 87 G HA2 0.548 4.506 3.960 -0.004 0.000 0.271 87 G HA3 0.548 4.506 3.960 -0.004 0.000 0.271 87 G C -0.290 174.800 174.900 0.316 0.000 1.236 87 G CA -0.120 45.067 45.100 0.144 0.000 0.958 87 G HN 1.185 nan 8.290 nan 0.000 0.512 88 I N -3.408 117.295 120.570 0.221 0.000 2.827 88 I HA 0.729 4.897 4.170 -0.004 0.000 0.298 88 I C -1.128 175.037 176.117 0.080 0.000 1.235 88 I CA -1.235 60.192 61.300 0.212 0.000 1.021 88 I CB 2.729 40.882 38.000 0.256 0.000 1.259 88 I HN 0.472 nan 8.210 nan 0.000 0.427 89 K N 3.371 123.797 120.400 0.043 0.000 2.397 89 K HA 0.860 5.178 4.320 -0.004 0.000 0.253 89 K C -0.686 175.923 176.600 0.014 0.000 0.932 89 K CA -0.350 55.896 56.287 -0.070 0.000 0.795 89 K CB 2.147 34.491 32.500 -0.260 0.000 1.159 89 K HN 1.115 nan 8.250 nan 0.000 0.424 90 G N 2.309 111.139 108.800 0.050 0.000 2.348 90 G HA2 0.273 4.231 3.960 -0.004 0.000 0.296 90 G HA3 0.273 4.231 3.960 -0.004 0.000 0.296 90 G C -1.954 173.031 174.900 0.141 0.000 1.258 90 G CA -0.904 44.246 45.100 0.084 0.000 0.868 90 G HN 0.549 nan 8.290 nan 0.000 0.488 91 R N -0.449 120.134 120.500 0.139 0.000 2.575 91 R HA 0.658 4.996 4.340 -0.004 0.000 0.293 91 R C -1.546 174.843 176.300 0.148 0.000 0.983 91 R CA -0.507 55.699 56.100 0.177 0.000 0.887 91 R CB 2.161 32.539 30.300 0.130 0.000 1.184 91 R HN 0.405 nan 8.270 nan 0.000 0.445 92 V N 4.326 124.321 119.914 0.136 0.000 2.370 92 V HA 0.449 4.566 4.120 -0.004 0.000 0.283 92 V C -0.005 176.080 176.094 -0.015 0.000 1.023 92 V CA -0.223 62.114 62.300 0.061 0.000 0.857 92 V CB 1.084 32.920 31.823 0.021 0.000 0.985 92 V HN 1.041 nan 8.190 nan 0.000 0.443 93 S N 3.274 118.968 115.700 -0.010 0.000 3.359 93 S HA 1.034 5.502 4.470 -0.004 0.000 0.323 93 S C 0.025 174.603 174.600 -0.037 0.000 1.143 93 S CA -0.195 57.989 58.200 -0.026 0.000 0.989 93 S CB 1.592 64.799 63.200 0.013 0.000 1.375 93 S HN 2.104 nan 8.310 nan 0.000 0.728 94 G N 0.985 109.772 108.800 -0.022 0.000 2.462 94 G HA2 0.094 4.052 3.960 -0.004 0.000 0.685 94 G HA3 0.094 4.052 3.960 -0.004 0.000 0.685 94 G C -0.579 174.303 174.900 -0.030 0.000 1.295 94 G CA -0.026 45.070 45.100 -0.007 0.000 0.941 94 G HN 1.471 nan 8.290 nan 0.000 0.554 95 N N -0.954 117.735 118.700 -0.019 0.000 2.204 95 N HA 0.299 5.036 4.740 -0.004 0.000 0.219 95 N C 0.433 175.853 175.510 -0.151 0.000 1.151 95 N CA -0.127 52.892 53.050 -0.053 0.000 0.867 95 N CB 0.583 39.067 38.487 -0.005 0.000 1.043 95 N HN 0.778 nan 8.380 nan 0.000 0.516 96 L N 3.031 124.141 121.223 -0.190 0.000 2.361 96 L HA 0.433 4.771 4.340 -0.004 0.000 0.278 96 L C -2.285 174.385 176.870 -0.335 0.000 1.113 96 L CA -1.747 52.912 54.840 -0.302 0.000 0.849 96 L CB 0.174 42.072 42.059 -0.268 0.000 1.155 96 L HN 0.032 nan 8.230 nan 0.000 0.452 97 P HA 0.101 nan 4.420 nan 0.000 0.271 97 P C -0.926 176.114 177.300 -0.434 0.000 1.216 97 P CA -0.411 62.460 63.100 -0.381 0.000 0.776 97 P CB 0.859 32.298 31.700 -0.434 0.000 0.881 98 L N 2.350 123.297 121.223 -0.461 0.000 2.305 98 L HA 0.420 4.758 4.340 -0.004 0.000 0.281 98 L C 1.562 178.193 176.870 -0.398 0.000 1.085 98 L CA 1.052 55.578 54.840 -0.523 0.000 0.813 98 L CB 0.011 41.533 42.059 -0.895 0.000 1.157 98 L HN 0.822 nan 8.230 nan 0.000 0.436 99 G N 2.888 111.493 108.800 -0.325 0.000 2.179 99 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.257 99 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.257 99 G C 0.722 175.454 174.900 -0.280 0.000 1.010 99 G CA 0.469 45.436 45.100 -0.221 0.000 0.736 99 G HN 0.978 nan 8.290 nan 0.000 0.513 100 A N -0.514 122.026 122.820 -0.468 0.000 2.308 100 A HA 0.620 4.938 4.320 -0.004 0.000 0.217 100 A C 2.296 179.706 177.584 -0.289 0.000 1.216 100 A CA 1.497 53.095 52.037 -0.731 0.000 0.864 100 A CB -0.214 18.131 19.000 -1.092 0.000 0.902 100 A HN 2.410 nan 8.150 nan 0.000 0.499 101 G N -0.937 107.751 108.800 -0.187 0.000 2.132 101 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.234 101 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.234 101 G C 0.396 175.221 174.900 -0.125 0.000 0.989 101 G CA 0.352 45.393 45.100 -0.099 0.000 0.676 101 G HN 0.529 nan 8.290 nan 0.000 0.522 102 L N 0.238 121.345 121.223 -0.193 0.000 2.910 102 L HA 0.352 4.690 4.340 -0.004 0.000 0.252 102 L C 1.171 177.936 176.870 -0.174 0.000 1.195 102 L CA 0.345 55.066 54.840 -0.198 0.000 1.003 102 L CB 0.068 41.954 42.059 -0.288 0.000 1.328 102 L HN 0.319 nan 8.230 nan 0.000 0.540 103 S N 0.070 115.682 115.700 -0.146 0.000 3.797 103 S HA -0.164 4.304 4.470 -0.004 0.000 0.374 103 S C 1.456 175.978 174.600 -0.131 0.000 0.970 103 S CA 0.676 58.808 58.200 -0.113 0.000 1.177 103 S CB -1.316 61.842 63.200 -0.069 0.000 0.891 103 S HN 0.747 nan 8.310 nan 0.000 0.491 104 S N 0.727 116.317 115.700 -0.183 0.000 2.423 104 S HA -0.150 4.318 4.470 -0.004 0.000 0.231 104 S C 2.113 176.624 174.600 -0.148 0.000 1.014 104 S CA 1.117 59.197 58.200 -0.199 0.000 0.965 104 S CB -0.442 62.579 63.200 -0.299 0.000 0.785 104 S HN 1.157 nan 8.310 nan 0.000 0.495 105 S N 2.984 118.591 115.700 -0.156 0.000 2.345 105 S HA 0.077 4.545 4.470 -0.004 0.000 0.220 105 S C 2.174 176.786 174.600 0.020 0.000 1.031 105 S CA 0.838 58.950 58.200 -0.146 0.000 0.996 105 S CB -1.182 61.977 63.200 -0.069 0.000 0.882 105 S HN 0.802 nan 8.310 nan 0.000 0.445 106 A N 1.516 124.348 122.820 0.021 0.000 1.930 106 A HA 0.015 4.333 4.320 -0.004 0.000 0.217 106 A C 2.442 180.049 177.584 0.038 0.000 1.175 106 A CA 1.852 53.915 52.037 0.043 0.000 0.627 106 A CB -1.404 17.616 19.000 0.033 0.000 0.815 106 A HN 0.600 nan 8.150 nan 0.000 0.443 107 S N -1.213 114.498 115.700 0.017 0.000 2.359 107 S HA -0.204 4.264 4.470 -0.004 0.000 0.223 107 S C 1.805 176.474 174.600 0.115 0.000 1.039 107 S CA 1.912 60.131 58.200 0.031 0.000 1.042 107 S CB -0.544 62.643 63.200 -0.023 0.000 0.915 107 S HN 0.572 nan 8.310 nan 0.000 0.439 108 F N 2.144 122.055 119.950 -0.065 0.000 2.075 108 F HA 0.020 4.546 4.527 -0.003 0.000 0.297 108 F C 2.239 178.059 175.800 0.033 0.000 1.113 108 F CA 2.042 60.025 58.000 -0.029 0.000 1.218 108 F CB -1.054 37.897 39.000 -0.083 0.000 0.984 108 F HN 0.338 nan 8.300 nan 0.000 0.472 109 E N -0.375 119.832 120.200 0.011 0.000 2.038 109 E HA -0.200 4.148 4.350 -0.004 0.000 0.195 109 E C 2.274 178.833 176.600 -0.069 0.000 1.000 109 E CA 1.860 58.219 56.400 -0.068 0.000 0.803 109 E CB -0.405 29.332 29.700 0.061 0.000 0.750 109 E HN 0.259 nan 8.360 nan 0.000 0.448 110 V N 0.561 120.464 119.914 -0.018 0.000 2.427 110 V HA -0.181 3.937 4.120 -0.004 0.000 0.248 110 V C 2.251 178.322 176.094 -0.038 0.000 1.051 110 V CA 1.849 64.129 62.300 -0.033 0.000 1.048 110 V CB -0.870 30.941 31.823 -0.019 0.000 0.666 110 V HN 0.428 nan 8.190 nan 0.000 0.456 111 G N 0.183 108.982 108.800 -0.001 0.000 2.418 111 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.217 111 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.217 111 G C 1.487 176.378 174.900 -0.015 0.000 1.158 111 G CA 0.790 45.903 45.100 0.022 0.000 0.771 111 G HN 0.373 nan 8.290 nan 0.000 0.545 112 I N 0.450 120.975 120.570 -0.075 0.000 2.226 112 I HA -0.077 4.091 4.170 -0.004 0.000 0.245 112 I C 2.650 178.690 176.117 -0.128 0.000 1.100 112 I CA 0.754 61.992 61.300 -0.102 0.000 1.374 112 I CB -0.976 36.903 38.000 -0.202 0.000 1.057 112 I HN 0.138 nan 8.210 nan 0.000 0.413 113 L N 1.277 122.413 121.223 -0.146 0.000 2.042 113 L HA -0.218 4.120 4.340 -0.004 0.000 0.210 113 L C 2.459 179.245 176.870 -0.141 0.000 1.076 113 L CA 1.969 56.706 54.840 -0.172 0.000 0.749 113 L CB -0.783 41.186 42.059 -0.149 0.000 0.893 113 L HN 0.177 nan 8.230 nan 0.000 0.432 114 E N -1.283 118.856 120.200 -0.100 0.000 2.106 114 E HA -0.162 4.186 4.350 -0.004 0.000 0.192 114 E C 1.980 178.541 176.600 -0.065 0.000 0.984 114 E CA 1.707 58.057 56.400 -0.084 0.000 0.806 114 E CB -0.252 29.409 29.700 -0.066 0.000 0.750 114 E HN 0.508 nan 8.360 nan 0.000 0.458 115 T N 0.727 115.253 114.554 -0.047 0.000 2.708 115 T HA -0.112 4.236 4.350 -0.004 0.000 0.266 115 T C 1.755 176.448 174.700 -0.012 0.000 1.037 115 T CA 1.387 63.476 62.100 -0.019 0.000 1.146 115 T CB -0.229 68.648 68.868 0.016 0.000 0.865 115 T HN 0.141 nan 8.240 nan 0.000 0.435 116 L N 0.684 121.889 121.223 -0.030 0.000 2.093 116 L HA -0.071 4.267 4.340 -0.004 0.000 0.208 116 L C 2.513 179.398 176.870 0.025 0.000 1.085 116 L CA 1.308 56.165 54.840 0.029 0.000 0.755 116 L CB -0.530 41.433 42.059 -0.161 0.000 0.904 116 L HN 0.259 nan 8.230 nan 0.000 0.435 117 D N -0.012 120.347 120.400 -0.070 0.000 2.117 117 D HA -0.195 4.443 4.640 -0.004 0.000 0.197 117 D C 2.196 178.470 176.300 -0.044 0.000 0.987 117 D CA 1.256 55.208 54.000 -0.080 0.000 0.829 117 D CB 0.278 41.011 40.800 -0.112 0.000 0.961 117 D HN -0.021 nan 8.370 nan 0.000 0.460 118 K N -0.081 120.290 120.400 -0.050 0.000 2.044 118 K HA 0.035 4.353 4.320 -0.004 0.000 0.204 118 K C 2.379 178.927 176.600 -0.086 0.000 1.049 118 K CA 0.395 56.647 56.287 -0.059 0.000 0.945 118 K CB -0.608 31.857 32.500 -0.058 0.000 0.724 118 K HN 0.296 nan 8.250 nan 0.000 0.440 119 L N -0.439 120.713 121.223 -0.119 0.000 2.083 119 L HA -0.163 4.175 4.340 -0.004 0.000 0.209 119 L C 1.651 178.246 176.870 -0.458 0.000 1.083 119 L CA 1.415 56.078 54.840 -0.295 0.000 0.752 119 L CB -0.270 41.567 42.059 -0.370 0.000 0.899 119 L HN 0.152 nan 8.230 nan 0.000 0.433 120 Y N -1.149 119.134 120.300 -0.028 0.000 2.485 120 Y HA 0.139 4.686 4.550 -0.004 0.000 0.260 120 Y C 0.534 176.423 175.900 -0.018 0.000 1.173 120 Y CA -0.427 57.662 58.100 -0.018 0.000 1.252 120 Y CB -0.095 38.353 38.460 -0.020 0.000 1.123 120 Y HN 0.168 nan 8.280 nan 0.000 0.524 121 N N 0.132 118.856 118.700 0.040 0.000 2.740 121 N HA -0.217 4.521 4.740 -0.004 0.000 0.248 121 N C 0.399 175.935 175.510 0.043 0.000 1.062 121 N CA 0.328 53.393 53.050 0.025 0.000 0.704 121 N CB -1.243 37.258 38.487 0.022 0.000 0.968 121 N HN 0.357 nan 8.380 nan 0.000 0.547 122 L N -0.048 121.190 121.223 0.025 0.000 2.291 122 L HA -0.003 4.335 4.340 -0.004 0.000 0.214 122 L C 0.956 177.841 176.870 0.024 0.000 1.120 122 L CA 0.594 55.444 54.840 0.017 0.000 0.799 122 L CB -0.253 41.723 42.059 -0.140 0.000 0.925 122 L HN 0.284 nan 8.230 nan 0.000 0.446 123 K N 1.055 121.452 120.400 -0.005 0.000 3.156 123 K HA -0.177 4.141 4.320 -0.004 0.000 0.266 123 K C -0.351 176.247 176.600 -0.004 0.000 0.966 123 K CA 0.211 56.496 56.287 -0.004 0.000 0.719 123 K CB -1.837 30.672 32.500 0.015 0.000 1.333 123 K HN 0.289 nan 8.250 nan 0.000 0.468 124 L N 2.011 123.206 121.223 -0.047 0.000 2.453 124 L HA 0.035 4.373 4.340 -0.004 0.000 0.272 124 L C 1.405 178.247 176.870 -0.046 0.000 1.182 124 L CA -0.151 54.658 54.840 -0.051 0.000 0.858 124 L CB 0.164 42.147 42.059 -0.126 0.000 1.120 124 L HN 0.288 nan 8.230 nan 0.000 0.474 125 D N 1.552 121.943 120.400 -0.016 0.000 2.360 125 D HA 0.029 4.667 4.640 -0.004 0.000 0.242 125 D C 0.600 176.857 176.300 -0.073 0.000 1.184 125 D CA -0.481 53.504 54.000 -0.025 0.000 0.930 125 D CB 1.282 42.097 40.800 0.024 0.000 1.161 125 D HN 0.439 nan 8.370 nan 0.000 0.447 126 S N 0.171 115.787 115.700 -0.141 0.000 2.370 126 S HA -0.183 4.285 4.470 -0.004 0.000 0.226 126 S C 1.709 176.217 174.600 -0.155 0.000 1.033 126 S CA 0.639 58.634 58.200 -0.342 0.000 1.011 126 S CB -0.362 62.332 63.200 -0.843 0.000 0.852 126 S HN 0.520 nan 8.310 nan 0.000 0.457 127 L N 1.868 123.155 121.223 0.107 0.000 2.046 127 L HA -0.027 4.311 4.340 -0.004 0.000 0.208 127 L C 2.217 179.149 176.870 0.104 0.000 1.077 127 L CA 1.657 56.625 54.840 0.213 0.000 0.747 127 L CB -1.110 41.091 42.059 0.238 0.000 0.896 127 L HN 0.142 nan 8.230 nan 0.000 0.432 128 S N -0.403 115.334 115.700 0.061 0.000 2.370 128 S HA -0.230 4.238 4.470 -0.004 0.000 0.226 128 S C 1.888 176.491 174.600 0.006 0.000 1.033 128 S CA 1.582 59.808 58.200 0.043 0.000 1.011 128 S CB -0.266 62.959 63.200 0.041 0.000 0.852 128 S HN 0.478 nan 8.310 nan 0.000 0.457 129 K N 0.569 120.944 120.400 -0.042 0.000 2.063 129 K HA -0.075 4.243 4.320 -0.004 0.000 0.208 129 K C 2.064 178.647 176.600 -0.029 0.000 1.048 129 K CA 1.332 57.576 56.287 -0.073 0.000 0.928 129 K CB -0.432 31.990 32.500 -0.130 0.000 0.713 129 K HN 0.179 nan 8.250 nan 0.000 0.442 130 V N 1.947 121.862 119.914 0.002 0.000 2.261 130 V HA -0.247 3.871 4.120 -0.004 0.000 0.246 130 V C 2.245 178.393 176.094 0.090 0.000 1.047 130 V CA 1.690 64.026 62.300 0.060 0.000 1.015 130 V CB -0.461 31.431 31.823 0.115 0.000 0.642 130 V HN 0.260 nan 8.190 nan 0.000 0.446 131 L N -0.873 120.407 121.223 0.096 0.000 2.083 131 L HA -0.165 4.173 4.340 -0.004 0.000 0.209 131 L C 2.401 179.323 176.870 0.087 0.000 1.083 131 L CA 1.353 56.254 54.840 0.102 0.000 0.752 131 L CB -0.580 41.539 42.059 0.099 0.000 0.899 131 L HN 0.284 nan 8.230 nan 0.000 0.433 132 L N -0.333 120.924 121.223 0.056 0.000 2.027 132 L HA -0.171 4.167 4.340 -0.004 0.000 0.206 132 L C 2.911 179.815 176.870 0.058 0.000 1.074 132 L CA 1.167 56.032 54.840 0.042 0.000 0.745 132 L CB -0.686 41.365 42.059 -0.014 0.000 0.898 132 L HN 0.235 nan 8.230 nan 0.000 0.433 133 A N -0.050 122.795 122.820 0.042 0.000 1.902 133 A HA -0.257 4.061 4.320 -0.004 0.000 0.217 133 A C 2.391 180.033 177.584 0.097 0.000 1.181 133 A CA 1.949 54.019 52.037 0.055 0.000 0.623 133 A CB -0.458 18.562 19.000 0.034 0.000 0.818 133 A HN 0.322 nan 8.150 nan 0.000 0.443 134 K N -0.075 120.389 120.400 0.107 0.000 2.057 134 K HA -0.202 4.116 4.320 -0.004 0.000 0.207 134 K C 2.183 178.868 176.600 0.143 0.000 1.049 134 K CA 1.855 58.217 56.287 0.125 0.000 0.931 134 K CB -0.194 32.386 32.500 0.134 0.000 0.714 134 K HN 0.456 nan 8.250 nan 0.000 0.440 135 K N 0.068 120.562 120.400 0.156 0.000 2.057 135 K HA -0.119 4.199 4.320 -0.004 0.000 0.207 135 K C 1.948 178.716 176.600 0.280 0.000 1.049 135 K CA 1.190 57.602 56.287 0.208 0.000 0.931 135 K CB -0.165 32.453 32.500 0.197 0.000 0.714 135 K HN 0.219 nan 8.250 nan 0.000 0.440 136 A N 1.231 124.204 122.820 0.254 0.000 1.877 136 A HA -0.235 4.083 4.320 -0.004 0.000 0.216 136 A C 2.023 179.711 177.584 0.172 0.000 1.186 136 A CA 1.943 54.141 52.037 0.267 0.000 0.620 136 A CB -0.613 18.486 19.000 0.166 0.000 0.822 136 A HN 0.602 nan 8.150 nan 0.000 0.443 137 E N -0.007 120.277 120.200 0.140 0.000 2.072 137 E HA -0.186 4.161 4.350 -0.004 0.000 0.191 137 E C 1.827 178.467 176.600 0.066 0.000 0.985 137 E CA 1.475 57.939 56.400 0.106 0.000 0.801 137 E CB -0.237 29.546 29.700 0.137 0.000 0.750 137 E HN 0.786 nan 8.360 nan 0.000 0.452 138 N N -0.310 118.445 118.700 0.090 0.000 2.106 138 N HA -0.131 4.607 4.740 -0.004 0.000 0.188 138 N C 1.649 177.174 175.510 0.024 0.000 1.029 138 N CA 1.393 54.484 53.050 0.068 0.000 0.848 138 N CB 0.049 38.598 38.487 0.104 0.000 1.007 138 N HN 0.193 nan 8.380 nan 0.000 0.423 139 E N -0.790 119.439 120.200 0.047 0.000 2.251 139 E HA 0.005 4.353 4.350 -0.004 0.000 0.194 139 E C 1.117 177.529 176.600 -0.314 0.000 0.964 139 E CA 0.202 56.580 56.400 -0.037 0.000 0.868 139 E CB 0.202 30.005 29.700 0.171 0.000 0.828 139 E HN 0.263 nan 8.360 nan 0.000 0.481 140 F N 0.684 120.343 119.950 -0.484 0.000 2.222 140 F HA -0.047 4.478 4.527 -0.004 0.000 0.285 140 F C 2.027 177.577 175.800 -0.417 0.000 1.068 140 F CA 0.651 58.255 58.000 -0.660 0.000 1.265 140 F CB 0.001 38.600 39.000 -0.669 0.000 1.087 140 F HN -0.254 nan 8.300 nan 0.000 0.511 141 V N 0.327 120.182 119.914 -0.097 0.000 2.427 141 V HA 0.032 4.150 4.120 -0.004 0.000 0.248 141 V C 1.802 177.753 176.094 -0.238 0.000 1.051 141 V CA 1.527 63.691 62.300 -0.228 0.000 1.048 141 V CB -1.216 30.427 31.823 -0.299 0.000 0.666 141 V HN 0.727 nan 8.190 nan 0.000 0.456 142 G N -0.139 108.560 108.800 -0.169 0.000 2.130 142 G HA2 -0.186 3.771 3.960 -0.004 0.000 0.216 142 G HA3 -0.186 3.771 3.960 -0.004 0.000 0.216 142 G C -0.047 174.807 174.900 -0.076 0.000 0.999 142 G CA 0.018 45.037 45.100 -0.136 0.000 0.686 142 G HN 0.436 nan 8.290 nan 0.000 0.515 143 V N 1.706 121.593 119.914 -0.045 0.000 2.394 143 V HA 0.514 4.632 4.120 -0.004 0.000 0.282 143 V C -1.317 174.776 176.094 -0.003 0.000 1.031 143 V CA -1.178 61.106 62.300 -0.026 0.000 0.881 143 V CB 1.886 33.706 31.823 -0.004 0.000 0.982 143 V HN 0.176 nan 8.190 nan 0.000 0.451 144 P HA 0.144 nan 4.420 nan 0.000 0.214 144 P C 0.167 177.546 177.300 0.132 0.000 1.807 144 P CA -0.344 62.804 63.100 0.081 0.000 0.921 144 P CB -0.330 31.443 31.700 0.122 0.000 1.835 145 C N -1.137 118.195 119.300 0.053 0.000 2.676 145 C HA 0.671 5.129 4.460 -0.004 0.000 0.416 145 C C 1.537 176.629 174.990 0.170 0.000 1.299 145 C CA -0.318 58.748 59.018 0.079 0.000 2.048 145 C CB -0.366 27.388 27.740 0.022 0.000 2.713 145 C HN 0.394 nan 8.230 nan 0.000 0.624 146 G N 0.924 109.859 108.800 0.226 0.000 2.468 146 G HA2 0.344 4.301 3.960 -0.004 0.000 0.264 146 G HA3 0.344 4.301 3.960 -0.004 0.000 0.264 146 G C 0.450 175.427 174.900 0.129 0.000 1.460 146 G CA -0.409 44.793 45.100 0.169 0.000 1.060 146 G HN 0.967 nan 8.290 nan 0.000 0.543 147 I N -0.612 120.021 120.570 0.106 0.000 3.603 147 I HA 0.110 4.278 4.170 -0.004 0.000 0.297 147 I C 2.325 178.513 176.117 0.119 0.000 1.269 147 I CA -0.051 61.325 61.300 0.126 0.000 1.361 147 I CB 0.082 38.161 38.000 0.132 0.000 1.063 147 I HN 0.402 nan 8.210 nan 0.000 0.448 148 L N 0.958 122.219 121.223 0.062 0.000 1.997 148 L HA -0.319 4.019 4.340 -0.004 0.000 0.216 148 L C 1.831 178.757 176.870 0.093 0.000 1.074 148 L CA 2.331 57.197 54.840 0.044 0.000 0.763 148 L CB -0.701 41.362 42.059 0.007 0.000 0.890 148 L HN 0.242 nan 8.230 nan 0.000 0.434 149 D N -1.010 119.436 120.400 0.076 0.000 2.084 149 D HA -0.186 4.452 4.640 -0.004 0.000 0.196 149 D C 2.264 178.618 176.300 0.090 0.000 0.985 149 D CA 1.512 55.548 54.000 0.061 0.000 0.826 149 D CB -0.322 40.498 40.800 0.034 0.000 0.978 149 D HN 0.441 nan 8.370 nan 0.000 0.456 150 Q N -0.264 119.603 119.800 0.112 0.000 2.124 150 Q HA -0.063 4.275 4.340 -0.004 0.000 0.202 150 Q C 1.991 178.076 176.000 0.143 0.000 0.977 150 Q CA 0.700 56.568 55.803 0.109 0.000 0.850 150 Q CB -0.459 28.347 28.738 0.113 0.000 0.901 150 Q HN 0.294 nan 8.270 nan 0.000 0.429 151 F N 0.431 120.420 119.950 0.065 0.000 2.102 151 F HA -0.228 4.297 4.527 -0.004 0.000 0.298 151 F C 2.078 177.952 175.800 0.124 0.000 1.105 151 F CA 1.266 59.320 58.000 0.091 0.000 1.239 151 F CB -0.281 38.687 39.000 -0.053 0.000 0.991 151 F HN 0.100 nan 8.300 nan 0.000 0.474 152 A N -0.514 122.479 122.820 0.288 0.000 1.877 152 A HA -0.149 4.169 4.320 -0.004 0.000 0.216 152 A C 2.236 179.887 177.584 0.111 0.000 1.186 152 A CA 1.908 54.064 52.037 0.199 0.000 0.620 152 A CB -1.322 17.751 19.000 0.122 0.000 0.822 152 A HN 0.231 nan 8.150 nan 0.000 0.443 153 V N -0.471 119.481 119.914 0.064 0.000 2.490 153 V HA -0.197 3.920 4.120 -0.004 0.000 0.250 153 V C 2.474 178.558 176.094 -0.017 0.000 1.061 153 V CA 1.932 64.242 62.300 0.017 0.000 1.064 153 V CB -0.486 31.342 31.823 0.009 0.000 0.670 153 V HN 0.383 nan 8.190 nan 0.000 0.461 154 V N -1.655 118.225 119.914 -0.056 0.000 2.426 154 V HA -0.022 4.096 4.120 -0.004 0.000 0.242 154 V C 1.867 177.780 176.094 -0.301 0.000 1.036 154 V CA 1.617 63.788 62.300 -0.215 0.000 1.044 154 V CB -0.464 31.160 31.823 -0.331 0.000 0.688 154 V HN 0.470 nan 8.190 nan 0.000 0.462 155 F N 0.973 120.779 119.950 -0.239 0.000 2.765 155 F HA 0.398 4.922 4.527 -0.005 0.000 0.302 155 F C 1.719 177.596 175.800 0.129 0.000 1.111 155 F CA -0.016 57.883 58.000 -0.168 0.000 1.359 155 F CB -0.513 38.156 39.000 -0.551 0.000 1.097 155 F HN 0.171 nan 8.300 nan 0.000 0.577 156 G N 1.319 110.255 108.800 0.227 0.000 2.474 156 G HA2 0.211 4.169 3.960 -0.004 0.000 0.233 156 G HA3 0.211 4.169 3.960 -0.004 0.000 0.233 156 G C -0.042 174.959 174.900 0.169 0.000 1.278 156 G CA -0.356 44.882 45.100 0.229 0.000 0.861 156 G HN -0.005 nan 8.290 nan 0.000 0.567 157 R N 0.903 121.481 120.500 0.131 0.000 2.575 157 R HA 0.215 4.553 4.340 -0.004 0.000 0.293 157 R C -0.124 176.169 176.300 -0.012 0.000 0.983 157 R CA -0.841 55.222 56.100 -0.061 0.000 0.887 157 R CB 1.891 31.933 30.300 -0.430 0.000 1.184 157 R HN 0.860 nan 8.270 nan 0.000 0.445 158 E N 0.470 120.662 120.200 -0.013 0.000 2.608 158 E HA 0.011 4.359 4.350 -0.004 0.000 0.259 158 E C 0.648 177.262 176.600 0.023 0.000 0.951 158 E CA 1.555 57.963 56.400 0.013 0.000 0.945 158 E CB 0.256 29.963 29.700 0.012 0.000 0.916 158 E HN 0.797 nan 8.360 nan 0.000 0.477 159 G N 3.847 112.678 108.800 0.051 0.000 2.184 159 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.264 159 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.264 159 G C -0.081 174.905 174.900 0.144 0.000 0.975 159 G CA 0.273 45.430 45.100 0.095 0.000 0.642 159 G HN 0.631 nan 8.290 nan 0.000 0.536 160 N N -0.492 118.286 118.700 0.130 0.000 2.265 160 N HA 0.616 5.354 4.740 -0.004 0.000 0.300 160 N C 0.116 175.761 175.510 0.224 0.000 1.148 160 N CA 0.095 53.269 53.050 0.207 0.000 0.772 160 N CB 2.875 41.498 38.487 0.227 0.000 1.434 160 N HN 0.597 nan 8.380 nan 0.000 0.481 161 V N -1.148 118.926 119.914 0.266 0.000 3.096 161 V HA 0.666 4.784 4.120 -0.004 0.000 0.319 161 V C 0.006 176.278 176.094 0.297 0.000 1.082 161 V CA -0.679 61.762 62.300 0.235 0.000 1.022 161 V CB 1.133 33.083 31.823 0.213 0.000 1.103 161 V HN 0.493 nan 8.190 nan 0.000 0.455 162 I N 2.403 123.113 120.570 0.233 0.000 2.355 162 I HA 0.368 4.535 4.170 -0.004 0.000 0.288 162 I C -0.829 175.383 176.117 0.159 0.000 0.999 162 I CA -0.272 61.136 61.300 0.180 0.000 1.163 162 I CB 1.488 39.579 38.000 0.152 0.000 1.316 162 I HN 0.702 nan 8.210 nan 0.000 0.454 163 F N 8.714 128.672 119.950 0.012 0.000 2.421 163 F HA 0.558 5.083 4.527 -0.003 0.000 0.358 163 F C -1.014 174.759 175.800 -0.044 0.000 1.115 163 F CA -0.657 57.332 58.000 -0.020 0.000 1.160 163 F CB 0.810 39.789 39.000 -0.035 0.000 1.123 163 F HN 0.301 nan 8.300 nan 0.000 0.508 164 L N 6.861 127.705 121.223 -0.632 0.000 2.381 164 L HA 0.411 4.749 4.340 -0.004 0.000 0.274 164 L C -1.242 175.247 176.870 -0.636 0.000 0.988 164 L CA -0.443 54.007 54.840 -0.650 0.000 0.824 164 L CB 1.374 43.015 42.059 -0.696 0.000 1.263 164 L HN 0.588 nan 8.230 nan 0.000 0.410 165 D N 2.413 122.520 120.400 -0.488 0.000 2.380 165 D HA 0.121 4.758 4.640 -0.004 0.000 0.230 165 D C 0.969 177.135 176.300 -0.223 0.000 1.154 165 D CA 0.251 54.101 54.000 -0.251 0.000 0.859 165 D CB 1.437 42.183 40.800 -0.089 0.000 1.045 165 D HN 0.742 nan 8.370 nan 0.000 0.495 166 T N 0.310 114.752 114.554 -0.186 0.000 3.118 166 T HA -0.102 4.246 4.350 -0.004 0.000 0.260 166 T C 1.565 176.342 174.700 0.129 0.000 1.139 166 T CA 0.752 62.808 62.100 -0.074 0.000 1.085 166 T CB -0.264 68.573 68.868 -0.052 0.000 0.934 166 T HN 0.565 nan 8.240 nan 0.000 0.518 167 H N 1.324 120.367 119.070 -0.045 0.000 2.355 167 H HA -0.033 4.522 4.556 -0.003 0.000 0.303 167 H C 2.361 177.619 175.328 -0.117 0.000 1.061 167 H CA 1.629 57.629 56.048 -0.080 0.000 1.368 167 H CB 0.354 30.064 29.762 -0.088 0.000 1.412 167 H HN 0.608 nan 8.280 nan 0.000 0.523 168 T N -1.683 112.820 114.554 -0.085 0.000 3.037 168 T HA 0.127 4.475 4.350 -0.004 0.000 0.251 168 T C 1.194 175.846 174.700 -0.079 0.000 1.079 168 T CA 0.412 62.434 62.100 -0.129 0.000 1.067 168 T CB 0.054 68.876 68.868 -0.077 0.000 0.948 168 T HN 0.449 nan 8.240 nan 0.000 0.496 169 L N 0.219 121.390 121.223 -0.087 0.000 4.429 169 L HA -0.147 4.191 4.340 -0.004 0.000 0.422 169 L C -0.865 175.997 176.870 -0.012 0.000 1.149 169 L CA 0.380 55.167 54.840 -0.089 0.000 0.972 169 L CB -2.201 39.865 42.059 0.012 0.000 2.059 169 L HN 0.328 nan 8.230 nan 0.000 0.870 170 D N 0.535 120.915 120.400 -0.034 0.000 2.414 170 D HA 0.450 5.087 4.640 -0.004 0.000 0.242 170 D C -0.028 176.248 176.300 -0.041 0.000 1.129 170 D CA 0.571 54.559 54.000 -0.020 0.000 0.885 170 D CB 0.661 41.443 40.800 -0.029 0.000 1.198 170 D HN 0.356 nan 8.370 nan 0.000 0.437 171 Y N -1.610 118.587 120.300 -0.171 0.000 2.625 171 Y HA 0.620 5.168 4.550 -0.004 0.000 0.338 171 Y C -1.042 174.788 175.900 -0.116 0.000 1.123 171 Y CA -1.160 56.802 58.100 -0.230 0.000 1.046 171 Y CB 1.630 39.888 38.460 -0.337 0.000 1.299 171 Y HN 0.261 nan 8.280 nan 0.000 0.464 172 E N 1.338 121.523 120.200 -0.025 0.000 2.308 172 E HA 0.367 4.715 4.350 -0.004 0.000 0.275 172 E C -2.158 174.455 176.600 0.023 0.000 0.890 172 E CA -0.875 55.510 56.400 -0.026 0.000 0.754 172 E CB 1.823 31.606 29.700 0.138 0.000 1.207 172 E HN 0.748 nan 8.360 nan 0.000 0.426 173 Y N 2.926 123.345 120.300 0.199 0.000 2.304 173 Y HA 0.404 4.952 4.550 -0.004 0.000 0.328 173 Y C 0.213 176.198 175.900 0.143 0.000 1.123 173 Y CA -0.311 57.911 58.100 0.204 0.000 1.218 173 Y CB 0.984 39.560 38.460 0.192 0.000 1.207 173 Y HN 0.330 nan 8.280 nan 0.000 0.495 174 I N 5.559 126.313 120.570 0.307 0.000 2.447 174 I HA 0.315 4.483 4.170 -0.004 0.000 0.287 174 I C -2.591 173.646 176.117 0.200 0.000 1.023 174 I CA -2.574 58.841 61.300 0.192 0.000 1.083 174 I CB 2.002 40.082 38.000 0.132 0.000 1.245 174 I HN 0.317 nan 8.210 nan 0.000 0.434 175 P HA -0.024 nan 4.420 nan 0.000 0.265 175 P C -0.879 176.516 177.300 0.160 0.000 1.193 175 P CA 0.246 63.431 63.100 0.141 0.000 0.765 175 P CB 0.316 32.061 31.700 0.076 0.000 0.823 176 F N 5.562 125.538 119.950 0.043 0.000 2.399 176 F HA 0.462 4.987 4.527 -0.004 0.000 0.334 176 F C -1.953 173.855 175.800 0.013 0.000 1.097 176 F CA -2.632 55.385 58.000 0.029 0.000 1.076 176 F CB 0.770 39.795 39.000 0.043 0.000 1.162 176 F HN 0.247 nan 8.300 nan 0.000 0.495 177 P HA 0.036 nan 4.420 nan 0.000 0.271 177 P C 0.028 177.272 177.300 -0.093 0.000 1.218 177 P CA -0.141 62.780 63.100 -0.299 0.000 0.780 177 P CB 0.919 32.369 31.700 -0.416 0.000 0.901 178 K N 2.205 122.594 120.400 -0.020 0.000 2.057 178 K HA -0.162 4.156 4.320 -0.004 0.000 0.207 178 K C 0.732 177.372 176.600 0.066 0.000 1.049 178 K CA 1.777 58.092 56.287 0.046 0.000 0.931 178 K CB -0.112 32.406 32.500 0.030 0.000 0.714 178 K HN 0.506 nan 8.250 nan 0.000 0.440 179 D N 0.365 120.785 120.400 0.034 0.000 2.427 179 D HA 0.044 4.682 4.640 -0.004 0.000 0.224 179 D C -0.313 176.041 176.300 0.091 0.000 1.157 179 D CA -0.256 53.781 54.000 0.062 0.000 0.828 179 D CB 0.323 41.151 40.800 0.047 0.000 0.974 179 D HN -0.100 nan 8.370 nan 0.000 0.498 180 V N 0.464 120.440 119.914 0.102 0.000 2.459 180 V HA 0.373 4.491 4.120 -0.004 0.000 0.295 180 V C 0.216 176.494 176.094 0.307 0.000 1.029 180 V CA -0.669 61.735 62.300 0.172 0.000 0.874 180 V CB 1.824 33.649 31.823 0.004 0.000 0.985 180 V HN 0.054 nan 8.190 nan 0.000 0.438 181 S N 4.544 120.406 115.700 0.270 0.000 2.549 181 S HA 0.613 5.081 4.470 -0.004 0.000 0.297 181 S C -0.343 174.408 174.600 0.252 0.000 1.115 181 S CA -0.516 57.828 58.200 0.240 0.000 1.059 181 S CB 1.234 64.537 63.200 0.171 0.000 1.046 181 S HN 0.479 nan 8.310 nan 0.000 0.506 182 I N 3.602 124.272 120.570 0.167 0.000 2.291 182 I HA 0.206 4.374 4.170 -0.004 0.000 0.292 182 I C -0.360 175.843 176.117 0.145 0.000 1.064 182 I CA -0.448 60.930 61.300 0.131 0.000 1.269 182 I CB 0.463 38.459 38.000 -0.006 0.000 1.418 182 I HN 0.428 nan 8.210 nan 0.000 0.485 183 L N 9.190 130.530 121.223 0.194 0.000 2.278 183 L HA 0.352 4.690 4.340 -0.004 0.000 0.287 183 L C -0.355 176.648 176.870 0.222 0.000 1.072 183 L CA 0.053 55.029 54.840 0.227 0.000 0.819 183 L CB 1.117 43.338 42.059 0.270 0.000 1.176 183 L HN 0.254 nan 8.230 nan 0.000 0.435 184 V N 6.462 126.497 119.914 0.200 0.000 2.439 184 V HA 0.353 4.471 4.120 -0.004 0.000 0.282 184 V C -0.509 175.668 176.094 0.138 0.000 1.039 184 V CA -0.310 62.082 62.300 0.153 0.000 0.913 184 V CB 1.159 33.084 31.823 0.169 0.000 0.983 184 V HN 0.655 nan 8.190 nan 0.000 0.460 185 F N 5.968 125.743 119.950 -0.292 0.000 2.445 185 F HA 0.488 5.013 4.527 -0.004 0.000 0.348 185 F C -0.726 174.932 175.800 -0.237 0.000 1.125 185 F CA -0.876 56.861 58.000 -0.439 0.000 0.983 185 F CB 1.014 39.244 39.000 -1.283 0.000 1.198 185 F HN 0.557 nan 8.300 nan 0.000 0.436 186 Y N 5.385 125.410 120.300 -0.458 0.000 2.365 186 Y HA 0.220 4.768 4.550 -0.003 0.000 0.340 186 Y C 1.379 177.012 175.900 -0.445 0.000 1.016 186 Y CA -0.601 57.331 58.100 -0.280 0.000 1.196 186 Y CB 1.232 39.644 38.460 -0.082 0.000 1.167 186 Y HN 0.738 nan 8.280 nan 0.000 0.509 187 T N 1.194 115.435 114.554 -0.521 0.000 2.995 187 T HA 0.113 4.461 4.350 -0.004 0.000 0.269 187 T C 1.558 175.928 174.700 -0.549 0.000 1.091 187 T CA 0.843 62.715 62.100 -0.380 0.000 1.128 187 T CB -0.552 68.258 68.868 -0.098 0.000 0.891 187 T HN 1.441 nan 8.240 nan 0.000 0.492 188 G N 0.365 108.296 108.800 -1.447 0.000 2.176 188 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.253 188 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.253 188 G C 0.070 174.626 174.900 -0.572 0.000 0.979 188 G CA -0.043 44.470 45.100 -0.979 0.000 0.641 188 G HN 0.728 nan 8.290 nan 0.000 0.530 189 V N 2.651 122.192 119.914 -0.622 0.000 2.364 189 V HA 0.390 4.508 4.120 -0.004 0.000 0.272 189 V C 1.015 177.005 176.094 -0.174 0.000 1.036 189 V CA -0.734 61.227 62.300 -0.563 0.000 0.880 189 V CB 1.220 32.705 31.823 -0.564 0.000 0.991 189 V HN 0.314 nan 8.190 nan 0.000 0.460 190 R N 3.816 124.254 120.500 -0.103 0.000 2.316 190 R HA 0.255 4.592 4.340 -0.004 0.000 0.314 190 R C 1.441 177.744 176.300 0.005 0.000 1.069 190 R CA 0.140 56.258 56.100 0.030 0.000 0.959 190 R CB 0.732 31.051 30.300 0.033 0.000 0.987 190 R HN 0.811 nan 8.270 nan 0.000 0.446 191 R N 2.789 123.317 120.500 0.047 0.000 2.235 191 R HA -0.101 4.237 4.340 -0.004 0.000 0.213 191 R C 2.021 178.342 176.300 0.035 0.000 1.059 191 R CA 1.784 57.924 56.100 0.067 0.000 0.997 191 R CB -1.204 29.153 30.300 0.095 0.000 0.884 191 R HN 0.838 nan 8.270 nan 0.000 0.462 192 E N 1.119 121.325 120.200 0.010 0.000 2.265 192 E HA 0.011 4.359 4.350 -0.004 0.000 0.196 192 E C 2.048 178.636 176.600 -0.020 0.000 0.996 192 E CA 1.154 57.551 56.400 -0.004 0.000 0.832 192 E CB -0.659 29.046 29.700 0.008 0.000 0.756 192 E HN 0.681 nan 8.360 nan 0.000 0.491 193 L N -0.799 120.409 121.223 -0.026 0.000 2.131 193 L HA 0.017 4.355 4.340 -0.004 0.000 0.210 193 L C 2.343 179.161 176.870 -0.086 0.000 1.092 193 L CA 1.073 55.886 54.840 -0.045 0.000 0.759 193 L CB -0.009 42.021 42.059 -0.047 0.000 0.903 193 L HN 0.410 nan 8.230 nan 0.000 0.435 194 A N -0.894 121.853 122.820 -0.120 0.000 2.965 194 A HA 0.226 4.543 4.320 -0.004 0.000 0.304 194 A C 1.684 179.141 177.584 -0.212 0.000 1.214 194 A CA 0.207 52.080 52.037 -0.273 0.000 0.977 194 A CB -0.193 18.453 19.000 -0.590 0.000 1.127 194 A HN 0.329 nan 8.150 nan 0.000 0.572 195 S N 0.070 115.710 115.700 -0.099 0.000 2.423 195 S HA -0.176 4.292 4.470 -0.004 0.000 0.231 195 S C 2.032 176.617 174.600 -0.026 0.000 1.014 195 S CA 1.512 59.687 58.200 -0.041 0.000 0.965 195 S CB -0.642 62.533 63.200 -0.042 0.000 0.785 195 S HN 1.026 nan 8.310 nan 0.000 0.495 196 S N 1.733 117.384 115.700 -0.082 0.000 2.402 196 S HA -0.081 4.387 4.470 -0.004 0.000 0.229 196 S C 1.820 176.359 174.600 -0.103 0.000 1.021 196 S CA 0.840 58.992 58.200 -0.080 0.000 0.974 196 S CB -0.533 62.612 63.200 -0.092 0.000 0.800 196 S HN 0.438 nan 8.310 nan 0.000 0.484 197 E N 0.500 120.576 120.200 -0.206 0.000 2.110 197 E HA -0.109 4.238 4.350 -0.004 0.000 0.193 197 E C 1.719 178.273 176.600 -0.076 0.000 0.988 197 E CA 1.151 57.395 56.400 -0.261 0.000 0.804 197 E CB -0.457 28.779 29.700 -0.774 0.000 0.745 197 E HN 0.821 nan 8.360 nan 0.000 0.458 198 Y N 1.190 121.436 120.300 -0.090 0.000 2.145 198 Y HA -0.234 4.313 4.550 -0.004 0.000 0.286 198 Y C 2.275 178.123 175.900 -0.088 0.000 1.145 198 Y CA 1.907 60.016 58.100 0.015 0.000 1.148 198 Y CB -0.290 38.203 38.460 0.056 0.000 0.981 198 Y HN 0.022 nan 8.280 nan 0.000 0.507 199 A N 0.228 123.112 122.820 0.106 0.000 1.933 199 A HA -0.207 4.111 4.320 -0.004 0.000 0.218 199 A C 2.069 179.604 177.584 -0.080 0.000 1.175 199 A CA 1.930 53.970 52.037 0.005 0.000 0.628 199 A CB -0.671 18.345 19.000 0.026 0.000 0.814 199 A HN 0.662 nan 8.150 nan 0.000 0.444 200 E N -0.655 119.496 120.200 -0.083 0.000 2.072 200 E HA -0.171 4.177 4.350 -0.004 0.000 0.191 200 E C 2.313 178.860 176.600 -0.088 0.000 0.985 200 E CA 0.788 57.152 56.400 -0.061 0.000 0.801 200 E CB -0.166 29.499 29.700 -0.058 0.000 0.750 200 E HN 0.370 nan 8.360 nan 0.000 0.452 201 R N 1.110 121.478 120.500 -0.220 0.000 2.083 201 R HA -0.131 4.207 4.340 -0.004 0.000 0.237 201 R C 2.225 178.387 176.300 -0.230 0.000 1.137 201 R CA 1.140 57.066 56.100 -0.290 0.000 0.951 201 R CB -0.602 29.470 30.300 -0.381 0.000 0.851 201 R HN 0.130 nan 8.270 nan 0.000 0.434 202 K N -0.050 120.012 120.400 -0.564 0.000 2.057 202 K HA -0.188 4.130 4.320 -0.004 0.000 0.207 202 K C 2.227 178.716 176.600 -0.184 0.000 1.049 202 K CA 1.415 57.251 56.287 -0.751 0.000 0.931 202 K CB -0.246 31.712 32.500 -0.903 0.000 0.714 202 K HN 0.267 nan 8.250 nan 0.000 0.440 203 H N 0.445 119.418 119.070 -0.162 0.000 2.357 203 H HA -0.085 4.469 4.556 -0.004 0.000 0.301 203 H C 2.043 177.371 175.328 -0.000 0.000 1.082 203 H CA 1.916 57.933 56.048 -0.052 0.000 1.342 203 H CB 0.054 29.790 29.762 -0.044 0.000 1.389 203 H HN 0.216 nan 8.280 nan 0.000 0.511 204 I N 0.832 121.401 120.570 -0.002 0.000 2.226 204 I HA -0.237 3.931 4.170 -0.004 0.000 0.245 204 I C 2.987 179.134 176.117 0.050 0.000 1.100 204 I CA 1.050 62.298 61.300 -0.087 0.000 1.374 204 I CB -0.343 37.600 38.000 -0.095 0.000 1.057 204 I HN 0.253 nan 8.210 nan 0.000 0.413 205 A N 0.359 123.292 122.820 0.188 0.000 1.898 205 A HA -0.214 4.104 4.320 -0.004 0.000 0.216 205 A C 2.204 179.976 177.584 0.314 0.000 1.181 205 A CA 1.657 53.928 52.037 0.391 0.000 0.620 205 A CB -0.543 18.731 19.000 0.457 0.000 0.819 205 A HN 0.434 nan 8.150 nan 0.000 0.442 206 E N -0.658 119.629 120.200 0.145 0.000 2.072 206 E HA -0.203 4.145 4.350 -0.004 0.000 0.191 206 E C 2.041 178.661 176.600 0.033 0.000 0.985 206 E CA 1.217 57.669 56.400 0.086 0.000 0.801 206 E CB -0.124 29.589 29.700 0.022 0.000 0.750 206 E HN 0.801 nan 8.360 nan 0.000 0.452 207 E N 0.496 120.668 120.200 -0.047 0.000 2.077 207 E HA -0.176 4.172 4.350 -0.004 0.000 0.193 207 E C 2.000 178.644 176.600 0.074 0.000 0.989 207 E CA 1.295 57.688 56.400 -0.013 0.000 0.800 207 E CB 0.118 29.810 29.700 -0.013 0.000 0.746 207 E HN 0.032 nan 8.360 nan 0.000 0.452 208 S N 0.710 116.500 115.700 0.150 0.000 2.359 208 S HA -0.165 4.302 4.470 -0.004 0.000 0.224 208 S C 1.943 176.454 174.600 -0.149 0.000 1.035 208 S CA 1.026 59.244 58.200 0.030 0.000 1.018 208 S CB -0.301 62.926 63.200 0.045 0.000 0.876 208 S HN 0.286 nan 8.310 nan 0.000 0.448 209 L N 1.071 122.269 121.223 -0.043 0.000 2.043 209 L HA -0.197 4.141 4.340 -0.004 0.000 0.212 209 L C 2.485 179.337 176.870 -0.030 0.000 1.075 209 L CA 1.386 56.207 54.840 -0.032 0.000 0.752 209 L CB -0.452 41.669 42.059 0.103 0.000 0.891 209 L HN 0.300 nan 8.230 nan 0.000 0.432 210 K N -0.044 120.353 120.400 -0.005 0.000 2.103 210 K HA -0.103 4.215 4.320 -0.004 0.000 0.204 210 K C 2.062 178.644 176.600 -0.030 0.000 1.052 210 K CA 1.091 57.374 56.287 -0.006 0.000 0.945 210 K CB -0.105 32.399 32.500 0.007 0.000 0.722 210 K HN 0.245 nan 8.250 nan 0.000 0.443 211 I N 1.276 121.816 120.570 -0.050 0.000 2.208 211 I HA -0.294 3.874 4.170 -0.004 0.000 0.245 211 I C 1.984 178.051 176.117 -0.082 0.000 1.097 211 I CA 1.346 62.603 61.300 -0.071 0.000 1.363 211 I CB -0.156 37.784 38.000 -0.099 0.000 1.051 211 I HN 0.121 nan 8.210 nan 0.000 0.413 212 L N 0.259 121.416 121.223 -0.111 0.000 2.478 212 L HA 0.106 4.444 4.340 -0.004 0.000 0.223 212 L C 1.470 178.300 176.870 -0.066 0.000 1.140 212 L CA 0.535 55.307 54.840 -0.112 0.000 0.842 212 L CB -0.618 41.329 42.059 -0.188 0.000 0.953 212 L HN 0.492 nan 8.230 nan 0.000 0.452 213 G N 1.183 109.956 108.800 -0.046 0.000 2.246 213 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.273 213 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.273 213 G C 0.031 174.923 174.900 -0.013 0.000 1.055 213 G CA 0.293 45.380 45.100 -0.021 0.000 0.851 213 G HN 0.382 nan 8.290 nan 0.000 0.500 214 K N -1.377 119.014 120.400 -0.015 0.000 2.328 214 K HA 0.619 4.937 4.320 -0.004 0.000 0.246 214 K C 1.308 177.918 176.600 0.018 0.000 0.955 214 K CA -0.349 55.936 56.287 -0.004 0.000 0.817 214 K CB 1.710 34.200 32.500 -0.017 0.000 1.208 214 K HN 0.172 nan 8.250 nan 0.000 0.432 215 G N -0.230 108.577 108.800 0.011 0.000 2.744 215 G HA2 -0.010 3.948 3.960 -0.004 0.000 0.211 215 G HA3 -0.010 3.948 3.960 -0.004 0.000 0.211 215 G C 0.128 174.989 174.900 -0.065 0.000 1.146 215 G CA 0.278 45.393 45.100 0.024 0.000 0.787 215 G HN 0.414 nan 8.290 nan 0.000 0.534 216 S N -0.951 114.655 115.700 -0.155 0.000 2.541 216 S HA 0.405 4.873 4.470 -0.004 0.000 0.271 216 S C 1.286 175.859 174.600 -0.046 0.000 1.133 216 S CA 0.452 58.521 58.200 -0.218 0.000 0.876 216 S CB 1.514 64.316 63.200 -0.664 0.000 1.105 216 S HN 0.311 nan 8.310 nan 0.000 0.470 217 S N 3.244 118.946 115.700 0.003 0.000 2.474 217 S HA -0.047 4.420 4.470 -0.004 0.000 0.235 217 S C 1.378 175.976 174.600 -0.004 0.000 0.997 217 S CA 0.623 58.880 58.200 0.095 0.000 0.949 217 S CB -0.477 62.680 63.200 -0.072 0.000 0.766 217 S HN 0.761 nan 8.310 nan 0.000 0.517 218 K N 1.278 121.602 120.400 -0.127 0.000 2.211 218 K HA -0.082 4.236 4.320 -0.004 0.000 0.204 218 K C 1.657 178.251 176.600 -0.010 0.000 1.047 218 K CA 1.529 57.747 56.287 -0.114 0.000 0.935 218 K CB -0.171 32.200 32.500 -0.214 0.000 0.728 218 K HN 0.598 nan 8.250 nan 0.000 0.452 219 E N 0.522 120.715 120.200 -0.012 0.000 2.489 219 E HA 0.013 4.361 4.350 -0.004 0.000 0.193 219 E C -0.448 176.173 176.600 0.035 0.000 1.057 219 E CA -0.039 56.369 56.400 0.013 0.000 0.866 219 E CB 0.548 30.246 29.700 -0.004 0.000 0.916 219 E HN -0.053 nan 8.360 nan 0.000 0.500 220 V N 1.818 121.773 119.914 0.069 0.000 2.435 220 V HA 0.307 4.425 4.120 -0.004 0.000 0.290 220 V C 0.213 176.365 176.094 0.096 0.000 1.030 220 V CA -0.811 61.545 62.300 0.093 0.000 0.881 220 V CB 1.668 33.610 31.823 0.198 0.000 0.983 220 V HN 0.082 nan 8.190 nan 0.000 0.445 221 R N 2.161 122.702 120.500 0.068 0.000 2.732 221 R HA 0.399 4.737 4.340 -0.004 0.000 0.278 221 R C 0.915 177.256 176.300 0.068 0.000 0.976 221 R CA -0.627 55.510 56.100 0.062 0.000 0.963 221 R CB 1.790 32.114 30.300 0.041 0.000 1.150 221 R HN 0.773 nan 8.270 nan 0.000 0.478 222 E N 0.903 121.143 120.200 0.066 0.000 2.209 222 E HA -0.148 4.200 4.350 -0.004 0.000 0.196 222 E C 1.666 178.299 176.600 0.054 0.000 0.993 222 E CA 1.500 57.943 56.400 0.071 0.000 0.819 222 E CB 0.019 29.755 29.700 0.061 0.000 0.745 222 E HN 0.853 nan 8.360 nan 0.000 0.477 223 G N 0.821 109.644 108.800 0.038 0.000 2.408 223 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.217 223 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.217 223 G C 1.117 176.027 174.900 0.017 0.000 1.150 223 G CA 0.556 45.672 45.100 0.026 0.000 0.776 223 G HN 0.270 nan 8.290 nan 0.000 0.542 224 E N 0.177 120.385 120.200 0.013 0.000 2.418 224 E HA 0.095 4.443 4.350 -0.004 0.000 0.197 224 E C 2.208 178.797 176.600 -0.019 0.000 1.026 224 E CA -0.058 56.337 56.400 -0.008 0.000 0.862 224 E CB -0.073 29.615 29.700 -0.020 0.000 0.799 224 E HN 0.380 nan 8.360 nan 0.000 0.518 225 L N 1.131 122.358 121.223 0.008 0.000 2.376 225 L HA -0.111 4.227 4.340 -0.004 0.000 0.219 225 L C 2.385 179.259 176.870 0.006 0.000 1.133 225 L CA 0.870 55.718 54.840 0.014 0.000 0.816 225 L CB -0.611 41.498 42.059 0.083 0.000 0.933 225 L HN 0.228 nan 8.230 nan 0.000 0.449 226 S N 0.022 115.724 115.700 0.004 0.000 2.419 226 S HA -0.223 4.244 4.470 -0.004 0.000 0.235 226 S C 1.764 176.352 174.600 -0.021 0.000 1.019 226 S CA 1.012 59.211 58.200 -0.003 0.000 0.982 226 S CB -0.321 62.879 63.200 -0.001 0.000 0.789 226 S HN 0.460 nan 8.310 nan 0.000 0.490 227 K N 0.643 121.022 120.400 -0.034 0.000 2.365 227 K HA 0.195 4.513 4.320 -0.004 0.000 0.199 227 K C 0.337 176.892 176.600 -0.074 0.000 1.045 227 K CA 0.319 56.574 56.287 -0.052 0.000 0.962 227 K CB -0.319 32.146 32.500 -0.059 0.000 0.759 227 K HN 0.410 nan 8.250 nan 0.000 0.469 228 L N 1.856 123.037 121.223 -0.070 0.000 2.399 228 L HA 0.244 4.582 4.340 -0.004 0.000 0.266 228 L C -2.230 174.587 176.870 -0.088 0.000 1.114 228 L CA -2.583 52.202 54.840 -0.092 0.000 0.804 228 L CB 0.444 42.480 42.059 -0.038 0.000 1.146 228 L HN -0.213 nan 8.230 nan 0.000 0.451 229 P HA 0.034 nan 4.420 nan 0.000 0.267 229 P C -2.101 175.190 177.300 -0.015 0.000 1.200 229 P CA -0.915 62.107 63.100 -0.130 0.000 0.772 229 P CB 0.038 31.566 31.700 -0.286 0.000 0.855 230 P HA -0.212 nan 4.420 nan 0.000 0.216 230 P C 1.437 178.715 177.300 -0.035 0.000 1.157 230 P CA 1.161 64.254 63.100 -0.011 0.000 0.880 230 P CB -0.162 31.526 31.700 -0.021 0.000 0.791 231 L N -1.615 119.585 121.223 -0.039 0.000 2.044 231 L HA -0.141 4.197 4.340 -0.004 0.000 0.205 231 L C 2.187 178.902 176.870 -0.259 0.000 1.075 231 L CA 2.010 56.711 54.840 -0.232 0.000 0.747 231 L CB -1.434 40.492 42.059 -0.221 0.000 0.903 231 L HN -0.011 nan 8.230 nan 0.000 0.435 232 H N -0.590 118.406 119.070 -0.124 0.000 2.353 232 H HA -0.166 4.388 4.556 -0.004 0.000 0.298 232 H C 2.388 177.782 175.328 0.110 0.000 1.103 232 H CA 2.080 58.149 56.048 0.034 0.000 1.293 232 H CB -0.253 29.532 29.762 0.037 0.000 1.372 232 H HN 0.288 nan 8.280 nan 0.000 0.501 233 R N 0.944 121.552 120.500 0.179 0.000 2.075 233 R HA -0.141 4.197 4.340 -0.004 0.000 0.232 233 R C 2.224 178.629 176.300 0.174 0.000 1.126 233 R CA 1.610 57.805 56.100 0.158 0.000 0.963 233 R CB -0.025 30.321 30.300 0.077 0.000 0.858 233 R HN 0.271 nan 8.270 nan 0.000 0.435 234 K N -0.148 120.293 120.400 0.068 0.000 2.026 234 K HA -0.140 4.178 4.320 -0.004 0.000 0.208 234 K C 1.957 178.735 176.600 0.298 0.000 1.048 234 K CA 1.741 58.080 56.287 0.086 0.000 0.929 234 K CB -0.213 32.232 32.500 -0.090 0.000 0.713 234 K HN 0.200 nan 8.250 nan 0.000 0.439 235 F N -0.626 119.439 119.950 0.192 0.000 2.146 235 F HA -0.136 4.389 4.527 -0.004 0.000 0.298 235 F C 2.159 178.211 175.800 0.420 0.000 1.096 235 F CA 0.146 58.311 58.000 0.275 0.000 1.275 235 F CB -0.183 38.842 39.000 0.041 0.000 1.008 235 F HN 0.029 nan 8.300 nan 0.000 0.480 236 F N 1.026 121.224 119.950 0.414 0.000 2.293 236 F HA -0.052 4.473 4.527 -0.004 0.000 0.300 236 F C 2.401 178.324 175.800 0.205 0.000 1.086 236 F CA 1.166 59.335 58.000 0.282 0.000 1.375 236 F CB -0.756 38.358 39.000 0.191 0.000 1.045 236 F HN -0.120 nan 8.300 nan 0.000 0.516 237 G N -0.909 108.108 108.800 0.362 0.000 2.440 237 G HA2 -0.389 3.569 3.960 -0.004 0.000 0.218 237 G HA3 -0.389 3.569 3.960 -0.004 0.000 0.218 237 G C 1.552 176.540 174.900 0.146 0.000 1.154 237 G CA 1.129 46.368 45.100 0.232 0.000 0.767 237 G HN 0.502 nan 8.290 nan 0.000 0.552 238 Y N 1.272 121.646 120.300 0.124 0.000 2.145 238 Y HA -0.104 4.444 4.550 -0.004 0.000 0.286 238 Y C 2.553 178.374 175.900 -0.132 0.000 1.145 238 Y CA 1.583 59.695 58.100 0.020 0.000 1.148 238 Y CB -0.235 38.264 38.460 0.064 0.000 0.981 238 Y HN 0.196 nan 8.280 nan 0.000 0.507 239 I N -0.798 119.569 120.570 -0.337 0.000 2.179 239 I HA -0.318 3.850 4.170 -0.004 0.000 0.242 239 I C 2.288 178.131 176.117 -0.456 0.000 1.088 239 I CA 1.369 62.333 61.300 -0.561 0.000 1.357 239 I CB -0.590 36.975 38.000 -0.724 0.000 1.051 239 I HN 0.136 nan 8.210 nan 0.000 0.409 240 V N 0.838 120.595 119.914 -0.261 0.000 2.295 240 V HA -0.285 3.833 4.120 -0.004 0.000 0.246 240 V C 2.558 178.573 176.094 -0.131 0.000 1.049 240 V CA 1.912 64.151 62.300 -0.101 0.000 1.024 240 V CB -0.769 31.089 31.823 0.058 0.000 0.648 240 V HN 0.374 nan 8.190 nan 0.000 0.447 241 R N -0.263 120.132 120.500 -0.176 0.000 2.096 241 R HA -0.201 4.137 4.340 -0.004 0.000 0.235 241 R C 2.342 178.501 176.300 -0.235 0.000 1.127 241 R CA 1.611 57.615 56.100 -0.159 0.000 0.968 241 R CB -0.268 29.956 30.300 -0.126 0.000 0.861 241 R HN 0.536 nan 8.270 nan 0.000 0.440 242 E N 1.035 120.958 120.200 -0.462 0.000 2.047 242 E HA -0.160 4.188 4.350 -0.004 0.000 0.191 242 E C 1.587 178.076 176.600 -0.185 0.000 0.987 242 E CA 1.341 57.483 56.400 -0.431 0.000 0.799 242 E CB -0.110 29.122 29.700 -0.781 0.000 0.752 242 E HN 0.163 nan 8.360 nan 0.000 0.449 243 N N 0.353 118.968 118.700 -0.142 0.000 2.061 243 N HA -0.204 4.534 4.740 -0.004 0.000 0.193 243 N C 1.638 177.212 175.510 0.107 0.000 1.030 243 N CA 1.685 54.779 53.050 0.072 0.000 0.856 243 N CB -0.652 37.880 38.487 0.075 0.000 1.023 243 N HN 0.323 nan 8.380 nan 0.000 0.424 244 A N 1.375 124.208 122.820 0.022 0.000 1.902 244 A HA -0.111 4.207 4.320 -0.004 0.000 0.217 244 A C 2.266 179.837 177.584 -0.022 0.000 1.181 244 A CA 1.182 53.222 52.037 0.006 0.000 0.623 244 A CB -0.451 18.546 19.000 -0.007 0.000 0.818 244 A HN 0.243 nan 8.150 nan 0.000 0.443 245 R N -0.651 119.827 120.500 -0.035 0.000 2.105 245 R HA -0.105 4.233 4.340 -0.004 0.000 0.239 245 R C 2.022 178.309 176.300 -0.021 0.000 1.135 245 R CA 1.474 57.556 56.100 -0.030 0.000 0.967 245 R CB -0.541 29.738 30.300 -0.035 0.000 0.861 245 R HN 0.427 nan 8.270 nan 0.000 0.442 246 V N 1.468 121.384 119.914 0.003 0.000 2.343 246 V HA -0.245 3.873 4.120 -0.004 0.000 0.247 246 V C 2.299 178.356 176.094 -0.062 0.000 1.051 246 V CA 1.676 63.997 62.300 0.035 0.000 1.036 246 V CB -0.437 31.475 31.823 0.148 0.000 0.654 246 V HN 0.301 nan 8.190 nan 0.000 0.451 247 L N -0.481 120.660 121.223 -0.138 0.000 2.083 247 L HA -0.129 4.209 4.340 -0.004 0.000 0.209 247 L C 2.750 179.497 176.870 -0.205 0.000 1.083 247 L CA 1.272 55.949 54.840 -0.271 0.000 0.752 247 L CB -0.633 41.281 42.059 -0.242 0.000 0.899 247 L HN 0.325 nan 8.230 nan 0.000 0.433 248 E N -0.046 120.082 120.200 -0.120 0.000 2.072 248 E HA -0.141 4.206 4.350 -0.004 0.000 0.191 248 E C 2.398 178.944 176.600 -0.091 0.000 0.985 248 E CA 1.005 57.349 56.400 -0.093 0.000 0.801 248 E CB -0.281 29.386 29.700 -0.055 0.000 0.750 248 E HN 0.292 nan 8.360 nan 0.000 0.452 249 V N 1.577 121.446 119.914 -0.073 0.000 2.343 249 V HA -0.261 3.857 4.120 -0.004 0.000 0.247 249 V C 2.636 178.674 176.094 -0.094 0.000 1.051 249 V CA 1.996 64.263 62.300 -0.055 0.000 1.036 249 V CB -0.559 31.260 31.823 -0.007 0.000 0.654 249 V HN 0.211 nan 8.190 nan 0.000 0.451 250 R N 0.234 120.633 120.500 -0.169 0.000 2.094 250 R HA -0.224 4.114 4.340 -0.004 0.000 0.239 250 R C 2.049 178.225 176.300 -0.208 0.000 1.137 250 R CA 2.403 58.344 56.100 -0.264 0.000 0.943 250 R CB -0.436 29.507 30.300 -0.595 0.000 0.850 250 R HN 0.489 nan 8.270 nan 0.000 0.433 251 D N 0.085 120.368 120.400 -0.194 0.000 2.117 251 D HA -0.111 4.527 4.640 -0.004 0.000 0.197 251 D C 1.768 178.003 176.300 -0.108 0.000 0.987 251 D CA 1.589 55.502 54.000 -0.145 0.000 0.829 251 D CB -0.324 40.400 40.800 -0.127 0.000 0.961 251 D HN 0.439 nan 8.370 nan 0.000 0.460 252 A N 0.618 123.379 122.820 -0.098 0.000 1.902 252 A HA -0.097 4.221 4.320 -0.004 0.000 0.217 252 A C 2.378 179.905 177.584 -0.096 0.000 1.181 252 A CA 0.797 52.782 52.037 -0.086 0.000 0.623 252 A CB -0.759 18.196 19.000 -0.075 0.000 0.818 252 A HN 0.201 nan 8.150 nan 0.000 0.443 253 L N -0.791 120.376 121.223 -0.093 0.000 2.083 253 L HA -0.178 4.160 4.340 -0.004 0.000 0.209 253 L C 2.441 179.262 176.870 -0.082 0.000 1.083 253 L CA 1.519 56.303 54.840 -0.093 0.000 0.752 253 L CB -0.322 41.706 42.059 -0.051 0.000 0.899 253 L HN 0.378 nan 8.230 nan 0.000 0.433 254 K N -0.582 119.771 120.400 -0.078 0.000 2.365 254 K HA -0.108 4.210 4.320 -0.004 0.000 0.199 254 K C 1.553 178.116 176.600 -0.062 0.000 1.045 254 K CA 0.611 56.859 56.287 -0.064 0.000 0.962 254 K CB 0.142 32.597 32.500 -0.075 0.000 0.759 254 K HN 0.214 nan 8.250 nan 0.000 0.469 255 E N -0.421 119.736 120.200 -0.072 0.000 2.479 255 E HA 0.019 4.366 4.350 -0.004 0.000 0.193 255 E C 0.849 177.403 176.600 -0.076 0.000 1.049 255 E CA 0.333 56.693 56.400 -0.066 0.000 0.870 255 E CB 0.827 30.488 29.700 -0.064 0.000 0.944 255 E HN 0.440 nan 8.360 nan 0.000 0.492 256 G N 2.785 111.528 108.800 -0.096 0.000 2.160 256 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.251 256 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.251 256 G C 0.305 175.117 174.900 -0.146 0.000 1.008 256 G CA 0.409 45.435 45.100 -0.124 0.000 0.724 256 G HN 0.194 nan 8.290 nan 0.000 0.514 257 N N 0.680 119.301 118.700 -0.132 0.000 2.968 257 N HA 0.349 5.087 4.740 -0.004 0.000 0.271 257 N C 1.652 177.057 175.510 -0.175 0.000 1.174 257 N CA 0.368 53.340 53.050 -0.129 0.000 1.096 257 N CB 0.555 38.989 38.487 -0.088 0.000 1.403 257 N HN 0.127 nan 8.380 nan 0.000 0.522 258 V N 1.755 121.507 119.914 -0.270 0.000 2.427 258 V HA -0.181 3.937 4.120 -0.004 0.000 0.248 258 V C 2.228 178.101 176.094 -0.368 0.000 1.051 258 V CA 1.561 63.612 62.300 -0.415 0.000 1.048 258 V CB -0.566 30.827 31.823 -0.717 0.000 0.666 258 V HN 0.630 nan 8.190 nan 0.000 0.456 259 E N 0.491 120.537 120.200 -0.256 0.000 2.085 259 E HA -0.326 4.022 4.350 -0.004 0.000 0.194 259 E C 2.199 178.801 176.600 0.004 0.000 0.994 259 E CA 1.852 58.241 56.400 -0.018 0.000 0.801 259 E CB -0.027 29.702 29.700 0.049 0.000 0.743 259 E HN 0.650 nan 8.360 nan 0.000 0.453 260 E N -0.089 120.090 120.200 -0.035 0.000 2.072 260 E HA -0.121 4.227 4.350 -0.004 0.000 0.190 260 E C 2.009 178.599 176.600 -0.016 0.000 0.982 260 E CA 1.139 57.528 56.400 -0.018 0.000 0.803 260 E CB -0.105 29.576 29.700 -0.031 0.000 0.755 260 E HN 0.155 nan 8.360 nan 0.000 0.453 261 V N 0.431 120.317 119.914 -0.048 0.000 2.282 261 V HA -0.271 3.847 4.120 -0.004 0.000 0.249 261 V C 2.295 178.400 176.094 0.020 0.000 1.057 261 V CA 2.081 64.365 62.300 -0.027 0.000 1.032 261 V CB -1.209 30.577 31.823 -0.062 0.000 0.645 261 V HN 0.524 nan 8.190 nan 0.000 0.447 262 G N -0.557 108.264 108.800 0.034 0.000 2.421 262 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.216 262 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.216 262 G C 1.646 176.600 174.900 0.090 0.000 1.171 262 G CA 0.981 46.143 45.100 0.102 0.000 0.775 262 G HN 0.476 nan 8.290 nan 0.000 0.543 263 K N -0.104 120.344 120.400 0.080 0.000 2.074 263 K HA -0.055 4.263 4.320 -0.004 0.000 0.209 263 K C 2.432 179.076 176.600 0.073 0.000 1.048 263 K CA 1.243 57.576 56.287 0.077 0.000 0.926 263 K CB -0.272 32.265 32.500 0.061 0.000 0.713 263 K HN 0.362 nan 8.250 nan 0.000 0.444 264 I N 0.508 121.110 120.570 0.054 0.000 2.315 264 I HA -0.264 3.904 4.170 -0.004 0.000 0.248 264 I C 1.959 178.112 176.117 0.059 0.000 1.117 264 I CA 0.755 62.084 61.300 0.048 0.000 1.404 264 I CB -0.155 37.861 38.000 0.025 0.000 1.071 264 I HN 0.053 nan 8.210 nan 0.000 0.419 265 L N 0.210 121.470 121.223 0.062 0.000 2.046 265 L HA -0.192 4.146 4.340 -0.004 0.000 0.208 265 L C 2.604 179.505 176.870 0.052 0.000 1.077 265 L CA 2.000 56.878 54.840 0.063 0.000 0.747 265 L CB -1.082 41.019 42.059 0.070 0.000 0.896 265 L HN 0.186 nan 8.230 nan 0.000 0.432 266 T N -1.520 113.069 114.554 0.058 0.000 2.708 266 T HA -0.190 4.158 4.350 -0.004 0.000 0.266 266 T C 1.821 176.591 174.700 0.117 0.000 1.037 266 T CA 1.902 64.033 62.100 0.053 0.000 1.146 266 T CB -0.348 68.597 68.868 0.128 0.000 0.865 266 T HN 0.367 nan 8.240 nan 0.000 0.435 267 T N 2.086 116.740 114.554 0.168 0.000 2.665 267 T HA -0.123 4.225 4.350 -0.004 0.000 0.268 267 T C 2.349 177.147 174.700 0.164 0.000 1.035 267 T CA 1.328 63.548 62.100 0.201 0.000 1.151 267 T CB -0.608 68.341 68.868 0.135 0.000 0.862 267 T HN 0.446 nan 8.240 nan 0.000 0.438 268 A N 0.895 123.780 122.820 0.108 0.000 1.902 268 A HA -0.180 4.138 4.320 -0.004 0.000 0.217 268 A C 2.012 179.646 177.584 0.083 0.000 1.181 268 A CA 2.292 54.398 52.037 0.114 0.000 0.623 268 A CB -0.961 18.092 19.000 0.089 0.000 0.818 268 A HN 0.670 nan 8.150 nan 0.000 0.443 269 H N -1.761 117.238 119.070 -0.118 0.000 2.290 269 H HA -0.205 4.349 4.556 -0.004 0.000 0.298 269 H C 1.829 176.979 175.328 -0.296 0.000 1.087 269 H CA 2.357 58.219 56.048 -0.310 0.000 1.291 269 H CB -0.399 28.981 29.762 -0.637 0.000 1.369 269 H HN 0.684 nan 8.280 nan 0.000 0.492 270 W N 0.333 121.673 121.300 0.066 0.000 2.374 270 W HA -0.113 4.545 4.660 -0.003 0.000 0.288 270 W C 2.296 178.811 176.519 -0.006 0.000 1.218 270 W CA 0.545 57.898 57.345 0.013 0.000 1.245 270 W CB -0.033 29.477 29.460 0.084 0.000 1.126 270 W HN 0.293 nan 8.180 nan 0.000 0.545 271 D N 0.476 121.009 120.400 0.222 0.000 2.097 271 D HA -0.149 4.489 4.640 -0.004 0.000 0.197 271 D C 2.125 178.499 176.300 0.123 0.000 0.984 271 D CA 1.233 55.378 54.000 0.242 0.000 0.826 271 D CB -0.422 40.571 40.800 0.321 0.000 0.973 271 D HN 0.072 nan 8.370 nan 0.000 0.460 272 L N 0.300 121.488 121.223 -0.058 0.000 2.013 272 L HA -0.235 4.103 4.340 -0.004 0.000 0.212 272 L C 2.614 179.325 176.870 -0.265 0.000 1.073 272 L CA 1.547 56.167 54.840 -0.366 0.000 0.753 272 L CB -0.476 41.355 42.059 -0.379 0.000 0.890 272 L HN 0.036 nan 8.230 nan 0.000 0.432 273 A N -0.205 122.462 122.820 -0.254 0.000 1.877 273 A HA -0.217 4.101 4.320 -0.004 0.000 0.216 273 A C 2.300 179.892 177.584 0.015 0.000 1.186 273 A CA 1.901 53.859 52.037 -0.133 0.000 0.620 273 A CB -0.281 18.717 19.000 -0.005 0.000 0.822 273 A HN 0.354 nan 8.150 nan 0.000 0.443 274 K N -1.101 119.356 120.400 0.094 0.000 2.166 274 K HA 0.056 4.374 4.320 -0.004 0.000 0.201 274 K C 1.477 178.149 176.600 0.120 0.000 1.052 274 K CA 1.006 57.365 56.287 0.119 0.000 0.969 274 K CB 0.009 32.597 32.500 0.145 0.000 0.761 274 K HN 0.371 nan 8.250 nan 0.000 0.459 275 N N -0.414 118.372 118.700 0.143 0.000 2.436 275 N HA -0.058 4.680 4.740 -0.004 0.000 0.178 275 N C 1.369 177.050 175.510 0.285 0.000 1.026 275 N CA 0.826 54.006 53.050 0.216 0.000 0.880 275 N CB -0.052 38.592 38.487 0.262 0.000 1.061 275 N HN 0.074 nan 8.380 nan 0.000 0.434 276 Y N 1.725 121.971 120.300 -0.090 0.000 2.519 276 Y HA 0.077 4.625 4.550 -0.004 0.000 0.287 276 Y C -0.043 175.642 175.900 -0.358 0.000 1.128 276 Y CA 0.359 58.247 58.100 -0.353 0.000 1.282 276 Y CB 0.070 38.013 38.460 -0.863 0.000 1.027 276 Y HN 0.057 nan 8.280 nan 0.000 0.551 277 E N -0.777 119.353 120.200 -0.117 0.000 2.297 277 E HA -0.194 4.154 4.350 -0.004 0.000 0.228 277 E C 0.359 176.771 176.600 -0.313 0.000 1.213 277 E CA 0.522 56.853 56.400 -0.116 0.000 0.712 277 E CB -1.754 27.975 29.700 0.048 0.000 1.202 277 E HN 0.375 nan 8.360 nan 0.000 0.376 278 V N -3.591 116.021 119.914 -0.502 0.000 3.276 278 V HA 0.322 4.440 4.120 -0.004 0.000 0.319 278 V C 0.646 176.198 176.094 -0.904 0.000 1.427 278 V CA 0.260 61.941 62.300 -1.032 0.000 1.102 278 V CB 1.354 32.781 31.823 -0.661 0.000 1.020 278 V HN 0.185 nan 8.190 nan 0.000 0.456 279 S N 0.391 115.793 115.700 -0.497 0.000 2.666 279 S HA 0.791 5.259 4.470 -0.004 0.000 0.279 279 S C 0.159 174.659 174.600 -0.167 0.000 1.149 279 S CA 0.369 58.407 58.200 -0.270 0.000 1.020 279 S CB 1.494 64.590 63.200 -0.174 0.000 1.127 279 S HN 1.205 nan 8.310 nan 0.000 0.537 280 C N 0.008 119.304 119.300 -0.006 0.000 3.332 280 C HA 0.639 5.097 4.460 -0.004 0.000 0.329 280 C C 1.105 176.167 174.990 0.120 0.000 1.434 280 C CA -0.560 58.493 59.018 0.059 0.000 1.314 280 C CB 0.691 28.464 27.740 0.055 0.000 1.664 280 C HN 1.081 nan 8.230 nan 0.000 0.457 281 K N 0.708 121.188 120.400 0.132 0.000 2.148 281 K HA -0.100 4.218 4.320 -0.004 0.000 0.204 281 K C 1.167 177.847 176.600 0.132 0.000 1.050 281 K CA 2.297 58.699 56.287 0.193 0.000 0.942 281 K CB -0.145 32.501 32.500 0.244 0.000 0.724 281 K HN 0.749 nan 8.250 nan 0.000 0.446 282 E N 1.463 121.606 120.200 -0.095 0.000 2.077 282 E HA -0.084 4.263 4.350 -0.004 0.000 0.193 282 E C 2.019 178.739 176.600 0.199 0.000 0.989 282 E CA 1.243 57.508 56.400 -0.225 0.000 0.800 282 E CB -0.204 29.370 29.700 -0.209 0.000 0.746 282 E HN 0.240 nan 8.360 nan 0.000 0.452 283 L N 0.819 122.144 121.223 0.171 0.000 2.056 283 L HA -0.190 4.148 4.340 -0.004 0.000 0.207 283 L C 1.712 178.715 176.870 0.222 0.000 1.078 283 L CA 1.099 56.062 54.840 0.205 0.000 0.749 283 L CB -0.301 41.863 42.059 0.176 0.000 0.901 283 L HN 0.110 nan 8.230 nan 0.000 0.433 284 D N -0.436 120.134 120.400 0.284 0.000 2.144 284 D HA -0.202 4.436 4.640 -0.004 0.000 0.200 284 D C 1.876 178.375 176.300 0.331 0.000 0.978 284 D CA 1.031 55.238 54.000 0.345 0.000 0.833 284 D CB -0.180 40.918 40.800 0.497 0.000 0.961 284 D HN 0.199 nan 8.370 nan 0.000 0.470 285 F N 0.721 120.812 119.950 0.235 0.000 2.095 285 F HA -0.221 4.304 4.527 -0.004 0.000 0.298 285 F C 2.105 177.983 175.800 0.130 0.000 1.104 285 F CA 1.129 59.273 58.000 0.241 0.000 1.232 285 F CB -0.422 38.812 39.000 0.391 0.000 0.987 285 F HN -0.092 nan 8.300 nan 0.000 0.475 286 F N 0.526 120.531 119.950 0.091 0.000 2.095 286 F HA -0.215 4.310 4.527 -0.003 0.000 0.298 286 F C 2.119 177.751 175.800 -0.281 0.000 1.104 286 F CA 2.067 59.917 58.000 -0.250 0.000 1.232 286 F CB -0.990 37.790 39.000 -0.368 0.000 0.987 286 F HN -0.133 nan 8.300 nan 0.000 0.475 287 V N 0.782 120.495 119.914 -0.335 0.000 2.255 287 V HA -0.343 3.775 4.120 -0.004 0.000 0.247 287 V C 2.444 178.343 176.094 -0.325 0.000 1.051 287 V CA 2.363 64.380 62.300 -0.471 0.000 1.018 287 V CB -0.902 30.511 31.823 -0.683 0.000 0.641 287 V HN 0.519 nan 8.190 nan 0.000 0.445 288 E N -0.012 120.117 120.200 -0.118 0.000 2.051 288 E HA -0.251 4.097 4.350 -0.004 0.000 0.192 288 E C 2.454 178.906 176.600 -0.247 0.000 0.991 288 E CA 1.224 57.599 56.400 -0.041 0.000 0.799 288 E CB -0.046 29.681 29.700 0.046 0.000 0.748 288 E HN 0.365 nan 8.360 nan 0.000 0.449 289 R N 0.241 120.468 120.500 -0.455 0.000 2.092 289 R HA -0.040 4.298 4.340 -0.004 0.000 0.231 289 R C 2.296 178.338 176.300 -0.430 0.000 1.119 289 R CA 1.127 56.942 56.100 -0.476 0.000 0.970 289 R CB -1.013 28.889 30.300 -0.664 0.000 0.864 289 R HN 0.311 nan 8.270 nan 0.000 0.440 290 A N 1.462 123.916 122.820 -0.610 0.000 1.908 290 A HA -0.114 4.204 4.320 -0.004 0.000 0.218 290 A C 2.391 179.781 177.584 -0.324 0.000 1.181 290 A CA 1.181 52.882 52.037 -0.560 0.000 0.627 290 A CB -0.568 17.892 19.000 -0.901 0.000 0.818 290 A HN 0.189 nan 8.150 nan 0.000 0.445 291 L N -0.875 120.189 121.223 -0.265 0.000 2.056 291 L HA -0.172 4.166 4.340 -0.004 0.000 0.207 291 L C 2.479 179.268 176.870 -0.134 0.000 1.078 291 L CA 1.256 56.006 54.840 -0.150 0.000 0.749 291 L CB -0.514 41.505 42.059 -0.067 0.000 0.901 291 L HN 0.203 nan 8.230 nan 0.000 0.433 292 K N 0.578 120.891 120.400 -0.144 0.000 2.147 292 K HA -0.070 4.248 4.320 -0.004 0.000 0.205 292 K C 1.876 178.403 176.600 -0.122 0.000 1.049 292 K CA 1.223 57.438 56.287 -0.120 0.000 0.936 292 K CB -0.356 32.071 32.500 -0.122 0.000 0.722 292 K HN 0.354 nan 8.250 nan 0.000 0.446 293 L N -0.354 120.779 121.223 -0.151 0.000 2.591 293 L HA 0.089 4.427 4.340 -0.004 0.000 0.228 293 L C 1.002 177.791 176.870 -0.135 0.000 1.133 293 L CA 0.429 55.190 54.840 -0.132 0.000 0.880 293 L CB -0.098 41.878 42.059 -0.138 0.000 1.033 293 L HN 0.375 nan 8.230 nan 0.000 0.450 294 G N -0.393 108.315 108.800 -0.153 0.000 2.168 294 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.197 294 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.197 294 G C 0.417 175.161 174.900 -0.260 0.000 0.997 294 G CA -0.196 44.793 45.100 -0.186 0.000 0.658 294 G HN 0.430 nan 8.290 nan 0.000 0.513 295 A N -0.447 122.249 122.820 -0.207 0.000 2.520 295 A HA 0.553 4.871 4.320 -0.004 0.000 0.235 295 A C 1.009 178.487 177.584 -0.177 0.000 1.065 295 A CA 0.963 52.893 52.037 -0.178 0.000 0.764 295 A CB 0.131 19.064 19.000 -0.111 0.000 1.002 295 A HN 0.644 nan 8.150 nan 0.000 0.502 296 Y N 1.738 122.033 120.300 -0.007 0.000 2.242 296 Y HA 0.184 4.732 4.550 -0.003 0.000 0.291 296 Y C 1.674 177.575 175.900 0.001 0.000 1.137 296 Y CA 1.488 59.586 58.100 -0.003 0.000 1.181 296 Y CB -0.007 38.455 38.460 0.002 0.000 0.989 296 Y HN 0.869 nan 8.280 nan 0.000 0.527 297 G N -1.666 107.226 108.800 0.154 0.000 2.523 297 G HA2 0.657 4.615 3.960 -0.004 0.000 0.291 297 G HA3 0.657 4.615 3.960 -0.004 0.000 0.291 297 G C -2.040 172.884 174.900 0.040 0.000 1.450 297 G CA -0.212 44.937 45.100 0.081 0.000 0.790 297 G HN 0.231 nan 8.290 nan 0.000 0.496 298 A N -0.070 122.737 122.820 -0.022 0.000 2.587 298 A HA 0.994 5.312 4.320 -0.004 0.000 0.293 298 A C -0.640 176.872 177.584 -0.120 0.000 1.087 298 A CA -0.609 51.398 52.037 -0.050 0.000 0.692 298 A CB 2.273 21.168 19.000 -0.174 0.000 1.291 298 A HN 1.097 nan 8.150 nan 0.000 0.407 299 R N 0.252 120.714 120.500 -0.063 0.000 2.634 299 R HA 0.471 4.809 4.340 -0.004 0.000 0.263 299 R C -1.346 174.985 176.300 0.052 0.000 1.060 299 R CA -0.798 55.279 56.100 -0.039 0.000 0.898 299 R CB 1.036 31.377 30.300 0.067 0.000 1.253 299 R HN 1.154 nan 8.270 nan 0.000 0.461 300 L N 0.079 121.420 121.223 0.195 0.000 2.482 300 L HA 0.512 4.850 4.340 -0.004 0.000 0.273 300 L C -0.040 176.892 176.870 0.105 0.000 1.228 300 L CA 0.435 55.365 54.840 0.150 0.000 0.827 300 L CB 0.799 42.970 42.059 0.186 0.000 1.099 300 L HN 0.520 nan 8.230 nan 0.000 0.494 301 T N 1.076 115.674 114.554 0.072 0.000 2.887 301 T HA 0.719 5.067 4.350 -0.004 0.000 0.288 301 T C 0.085 174.809 174.700 0.039 0.000 1.021 301 T CA 0.429 62.559 62.100 0.049 0.000 1.000 301 T CB 0.718 69.604 68.868 0.031 0.000 1.034 301 T HN 1.631 nan 8.240 nan 0.000 0.467 302 G N 2.338 111.151 108.800 0.021 0.000 2.542 302 G HA2 0.010 3.968 3.960 -0.004 0.000 0.235 302 G HA3 0.010 3.968 3.960 -0.004 0.000 0.235 302 G C 1.030 175.956 174.900 0.044 0.000 1.286 302 G CA 0.100 45.207 45.100 0.011 0.000 0.904 302 G HN 1.378 nan 8.290 nan 0.000 0.577 303 A N -0.673 122.206 122.820 0.099 0.000 1.968 303 A HA 0.569 4.887 4.320 -0.004 0.000 0.217 303 A C 2.546 180.366 177.584 0.395 0.000 1.169 303 A CA 2.531 54.733 52.037 0.276 0.000 0.638 303 A CB -0.826 18.358 19.000 0.308 0.000 0.812 303 A HN 2.993 nan 8.150 nan 0.000 0.446 304 G N -2.604 106.320 108.800 0.206 0.000 2.472 304 G HA2 0.065 4.023 3.960 -0.004 0.000 0.205 304 G HA3 0.065 4.023 3.960 -0.004 0.000 0.205 304 G C 0.145 175.130 174.900 0.141 0.000 1.270 304 G CA -0.344 44.792 45.100 0.059 0.000 0.974 304 G HN 1.049 nan 8.290 nan 0.000 0.542 305 F N -0.025 119.962 119.950 0.061 0.000 3.067 305 F HA 0.097 4.622 4.527 -0.004 0.000 0.279 305 F C 1.875 177.674 175.800 -0.001 0.000 0.945 305 F CA 2.442 60.458 58.000 0.027 0.000 0.948 305 F CB -1.330 37.685 39.000 0.025 0.000 0.898 305 F HN 2.435 nan 8.300 nan 0.000 0.746 306 G N -1.688 107.171 108.800 0.098 0.000 2.384 306 G HA2 0.504 4.462 3.960 -0.004 0.000 0.204 306 G HA3 0.504 4.462 3.960 -0.004 0.000 0.204 306 G C 0.585 175.532 174.900 0.079 0.000 1.237 306 G CA 0.213 45.335 45.100 0.037 0.000 1.060 306 G HN 1.982 nan 8.290 nan 0.000 0.514 307 G N -1.325 107.545 108.800 0.118 0.000 2.528 307 G HA2 0.239 4.197 3.960 -0.004 0.000 0.262 307 G HA3 0.239 4.197 3.960 -0.004 0.000 0.262 307 G C 0.357 175.386 174.900 0.214 0.000 1.200 307 G CA 0.928 46.150 45.100 0.204 0.000 0.951 307 G HN 2.214 nan 8.290 nan 0.000 0.566 308 S N -0.317 115.468 115.700 0.141 0.000 2.607 308 S HA 0.866 5.334 4.470 -0.004 0.000 0.303 308 S C 0.385 175.010 174.600 0.042 0.000 1.086 308 S CA 0.352 58.613 58.200 0.102 0.000 0.995 308 S CB 1.734 64.977 63.200 0.072 0.000 1.084 308 S HN 1.893 nan 8.310 nan 0.000 0.507 309 A N 1.454 124.255 122.820 -0.031 0.000 2.386 309 A HA 0.920 5.238 4.320 -0.004 0.000 0.308 309 A C -0.603 176.963 177.584 -0.030 0.000 1.128 309 A CA -0.913 51.111 52.037 -0.021 0.000 0.789 309 A CB 0.646 19.662 19.000 0.026 0.000 1.325 309 A HN 0.872 nan 8.150 nan 0.000 0.437 310 I N -2.273 118.371 120.570 0.123 0.000 2.740 310 I HA 0.912 5.080 4.170 -0.004 0.000 0.303 310 I C -0.220 176.103 176.117 0.343 0.000 1.044 310 I CA -1.057 60.356 61.300 0.189 0.000 1.064 310 I CB 2.277 40.349 38.000 0.120 0.000 1.249 310 I HN 0.736 nan 8.210 nan 0.000 0.433 311 A N 5.666 128.692 122.820 0.343 0.000 2.422 311 A HA 0.753 5.070 4.320 -0.004 0.000 0.302 311 A C -0.956 176.758 177.584 0.217 0.000 1.041 311 A CA -0.675 51.509 52.037 0.245 0.000 0.708 311 A CB 1.459 20.579 19.000 0.199 0.000 1.257 311 A HN 0.760 nan 8.150 nan 0.000 0.414 312 L N 2.979 124.328 121.223 0.210 0.000 2.260 312 L HA 0.604 4.942 4.340 -0.004 0.000 0.289 312 L C -0.166 176.888 176.870 0.307 0.000 1.057 312 L CA -0.695 54.315 54.840 0.283 0.000 0.811 312 L CB 0.864 43.098 42.059 0.292 0.000 1.184 312 L HN 0.629 nan 8.230 nan 0.000 0.429 313 V N -1.060 119.023 119.914 0.281 0.000 3.007 313 V HA 0.501 4.619 4.120 -0.004 0.000 0.311 313 V C -0.530 175.702 176.094 0.231 0.000 1.120 313 V CA -1.122 61.287 62.300 0.182 0.000 0.980 313 V CB 2.194 34.072 31.823 0.091 0.000 1.033 313 V HN 0.481 nan 8.190 nan 0.000 0.429 314 D N 2.107 122.606 120.400 0.164 0.000 2.488 314 D HA 0.053 4.691 4.640 -0.004 0.000 0.238 314 D C 0.999 177.371 176.300 0.120 0.000 1.138 314 D CA 0.574 54.672 54.000 0.165 0.000 0.873 314 D CB 1.579 42.434 40.800 0.092 0.000 1.183 314 D HN 0.882 nan 8.370 nan 0.000 0.458 315 K N 2.291 122.764 120.400 0.123 0.000 2.089 315 K HA -0.243 4.075 4.320 -0.004 0.000 0.210 315 K C 1.033 177.681 176.600 0.080 0.000 1.048 315 K CA 1.555 57.906 56.287 0.106 0.000 0.926 315 K CB 0.109 32.668 32.500 0.099 0.000 0.714 315 K HN 0.387 nan 8.250 nan 0.000 0.448 316 E N -0.272 119.967 120.200 0.065 0.000 2.478 316 E HA -0.103 4.245 4.350 -0.004 0.000 0.198 316 E C 0.659 177.282 176.600 0.039 0.000 1.046 316 E CA 0.724 57.153 56.400 0.048 0.000 0.870 316 E CB 0.240 29.964 29.700 0.039 0.000 0.818 316 E HN 0.353 nan 8.360 nan 0.000 0.527 317 D N -0.632 119.791 120.400 0.038 0.000 2.417 317 D HA 0.150 4.788 4.640 -0.004 0.000 0.207 317 D C 1.549 177.866 176.300 0.029 0.000 1.075 317 D CA 0.289 54.301 54.000 0.020 0.000 0.851 317 D CB 0.295 41.092 40.800 -0.005 0.000 0.976 317 D HN 0.114 nan 8.370 nan 0.000 0.505 318 A N 0.920 123.774 122.820 0.057 0.000 1.902 318 A HA -0.202 4.116 4.320 -0.004 0.000 0.217 318 A C 1.976 179.599 177.584 0.064 0.000 1.181 318 A CA 1.334 53.416 52.037 0.076 0.000 0.623 318 A CB -0.335 18.731 19.000 0.109 0.000 0.818 318 A HN 0.161 nan 8.150 nan 0.000 0.443 319 E N -0.930 119.309 120.200 0.066 0.000 2.047 319 E HA -0.128 4.220 4.350 -0.004 0.000 0.191 319 E C 2.149 178.758 176.600 0.015 0.000 0.987 319 E CA 1.614 58.056 56.400 0.070 0.000 0.799 319 E CB -0.353 29.395 29.700 0.080 0.000 0.752 319 E HN 0.590 nan 8.360 nan 0.000 0.449 320 T N 1.631 116.193 114.554 0.013 0.000 2.708 320 T HA -0.140 4.208 4.350 -0.004 0.000 0.266 320 T C 2.012 176.695 174.700 -0.028 0.000 1.037 320 T CA 0.965 63.063 62.100 -0.003 0.000 1.146 320 T CB -0.207 68.662 68.868 0.002 0.000 0.865 320 T HN 0.107 nan 8.240 nan 0.000 0.435 321 I N 1.057 121.609 120.570 -0.030 0.000 2.226 321 I HA -0.123 4.045 4.170 -0.004 0.000 0.245 321 I C 2.901 178.983 176.117 -0.059 0.000 1.100 321 I CA 1.334 62.607 61.300 -0.044 0.000 1.374 321 I CB -0.783 37.194 38.000 -0.038 0.000 1.057 321 I HN 0.324 nan 8.210 nan 0.000 0.413 322 G N 0.385 109.118 108.800 -0.111 0.000 2.421 322 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.216 322 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.216 322 G C 1.512 176.109 174.900 -0.506 0.000 1.171 322 G CA 0.649 45.552 45.100 -0.329 0.000 0.775 322 G HN 0.405 nan 8.290 nan 0.000 0.543 323 E N -0.048 119.935 120.200 -0.363 0.000 2.077 323 E HA -0.106 4.242 4.350 -0.004 0.000 0.193 323 E C 2.307 178.913 176.600 0.011 0.000 0.989 323 E CA 1.069 57.406 56.400 -0.104 0.000 0.800 323 E CB -0.100 29.603 29.700 0.006 0.000 0.746 323 E HN 0.627 nan 8.360 nan 0.000 0.452 324 E N 0.687 120.888 120.200 0.002 0.000 2.047 324 E HA -0.175 4.173 4.350 -0.004 0.000 0.191 324 E C 2.076 178.727 176.600 0.085 0.000 0.987 324 E CA 0.822 57.244 56.400 0.037 0.000 0.799 324 E CB 0.027 29.730 29.700 0.005 0.000 0.752 324 E HN 0.213 nan 8.360 nan 0.000 0.449 325 I N 0.771 121.385 120.570 0.074 0.000 2.226 325 I HA -0.243 3.925 4.170 -0.004 0.000 0.245 325 I C 2.534 178.861 176.117 0.349 0.000 1.100 325 I CA 0.428 61.817 61.300 0.149 0.000 1.374 325 I CB -0.245 37.767 38.000 0.021 0.000 1.057 325 I HN 0.242 nan 8.210 nan 0.000 0.413 326 L N 1.238 122.687 121.223 0.377 0.000 2.042 326 L HA -0.219 4.119 4.340 -0.004 0.000 0.210 326 L C 2.648 179.751 176.870 0.389 0.000 1.076 326 L CA 1.822 56.964 54.840 0.503 0.000 0.749 326 L CB -0.708 41.592 42.059 0.401 0.000 0.893 326 L HN 0.100 nan 8.230 nan 0.000 0.432 327 R N -0.526 120.129 120.500 0.259 0.000 2.081 327 R HA -0.174 4.163 4.340 -0.004 0.000 0.235 327 R C 2.185 178.612 176.300 0.210 0.000 1.131 327 R CA 1.863 58.080 56.100 0.195 0.000 0.960 327 R CB -0.223 30.154 30.300 0.129 0.000 0.856 327 R HN 0.532 nan 8.270 nan 0.000 0.436 328 E N -0.814 119.542 120.200 0.260 0.000 2.077 328 E HA -0.252 4.096 4.350 -0.004 0.000 0.193 328 E C 1.742 178.503 176.600 0.269 0.000 0.989 328 E CA 1.421 57.990 56.400 0.281 0.000 0.800 328 E CB -0.229 29.718 29.700 0.412 0.000 0.746 328 E HN 0.426 nan 8.360 nan 0.000 0.452 329 Y N 1.315 121.787 120.300 0.287 0.000 2.181 329 Y HA -0.184 4.364 4.550 -0.003 0.000 0.288 329 Y C 1.970 177.948 175.900 0.130 0.000 1.146 329 Y CA 1.320 59.544 58.100 0.207 0.000 1.164 329 Y CB -0.022 38.758 38.460 0.534 0.000 0.982 329 Y HN -0.050 nan 8.280 nan 0.000 0.515 330 L N 0.067 121.494 121.223 0.340 0.000 2.362 330 L HA -0.177 4.161 4.340 -0.004 0.000 0.219 330 L C 2.042 178.901 176.870 -0.018 0.000 1.134 330 L CA 1.180 56.126 54.840 0.176 0.000 0.807 330 L CB -0.374 41.799 42.059 0.190 0.000 0.927 330 L HN 0.191 nan 8.230 nan 0.000 0.447 331 K N -0.626 119.741 120.400 -0.054 0.000 2.296 331 K HA -0.008 4.309 4.320 -0.004 0.000 0.200 331 K C 2.025 178.457 176.600 -0.281 0.000 1.048 331 K CA 0.466 56.678 56.287 -0.126 0.000 0.966 331 K CB 0.191 32.646 32.500 -0.075 0.000 0.754 331 K HN 0.188 nan 8.250 nan 0.000 0.466 332 R N -0.336 119.874 120.500 -0.483 0.000 2.175 332 R HA 0.188 4.526 4.340 -0.004 0.000 0.202 332 R C 0.219 175.849 176.300 -1.117 0.000 1.018 332 R CA 0.604 56.159 56.100 -0.908 0.000 1.029 332 R CB 0.422 29.874 30.300 -1.414 0.000 0.959 332 R HN 0.033 nan 8.270 nan 0.000 0.480 333 F N 0.678 120.313 119.950 -0.526 0.000 2.563 333 F HA 0.357 4.882 4.527 -0.003 0.000 0.316 333 F C -1.560 173.906 175.800 -0.556 0.000 1.076 333 F CA -2.301 55.353 58.000 -0.577 0.000 0.921 333 F CB 2.035 40.613 39.000 -0.703 0.000 1.209 333 F HN -0.195 nan 8.300 nan 0.000 0.462 334 P HA 0.036 nan 4.420 nan 0.000 0.253 334 P C -0.835 176.167 177.300 -0.498 0.000 1.260 334 P CA 0.298 63.016 63.100 -0.637 0.000 0.800 334 P CB -0.110 31.122 31.700 -0.780 0.000 1.162 335 W N 1.026 122.395 121.300 0.114 0.000 2.359 335 W HA 0.344 5.003 4.660 -0.003 0.000 0.344 335 W C 0.922 177.489 176.519 0.080 0.000 1.170 335 W CA -1.092 56.304 57.345 0.085 0.000 1.296 335 W CB 0.589 30.087 29.460 0.063 0.000 1.197 335 W HN -0.392 nan 8.180 nan 0.000 0.618 336 K N 2.248 122.810 120.400 0.270 0.000 2.480 336 K HA 0.325 4.643 4.320 -0.004 0.000 0.241 336 K C 0.212 176.822 176.600 0.018 0.000 1.261 336 K CA -0.143 56.222 56.287 0.131 0.000 1.193 336 K CB -0.772 31.800 32.500 0.120 0.000 1.598 336 K HN 0.514 nan 8.250 nan 0.000 0.278 337 A N 2.321 125.132 122.820 -0.016 0.000 2.466 337 A HA 0.292 4.610 4.320 -0.004 0.000 0.238 337 A C 0.144 177.513 177.584 -0.359 0.000 1.074 337 A CA 0.111 51.936 52.037 -0.352 0.000 0.774 337 A CB 0.412 19.101 19.000 -0.518 0.000 1.015 337 A HN 0.618 nan 8.150 nan 0.000 0.498 338 R N -0.383 119.785 120.500 -0.554 0.000 2.707 338 R HA 0.495 4.833 4.340 -0.004 0.000 0.272 338 R C -1.442 174.391 176.300 -0.777 0.000 1.011 338 R CA -0.739 55.024 56.100 -0.562 0.000 0.893 338 R CB 2.082 32.133 30.300 -0.414 0.000 1.233 338 R HN 1.048 nan 8.270 nan 0.000 0.464 339 H N -0.562 118.033 119.070 -0.791 0.000 2.679 339 H HA 0.712 5.266 4.556 -0.004 0.000 0.367 339 H C -1.221 173.611 175.328 -0.826 0.000 1.162 339 H CA -0.801 54.897 56.048 -0.585 0.000 1.181 339 H CB 1.299 30.980 29.762 -0.135 0.000 1.693 339 H HN 0.292 nan 8.280 nan 0.000 0.538 340 F N 1.304 121.278 119.950 0.040 0.000 2.578 340 F HA 0.395 4.921 4.527 -0.003 0.000 0.311 340 F C -1.009 174.833 175.800 0.070 0.000 1.094 340 F CA -1.204 56.794 58.000 -0.004 0.000 0.923 340 F CB 1.825 40.786 39.000 -0.065 0.000 1.230 340 F HN 0.396 nan 8.300 nan 0.000 0.450 341 I N 4.105 124.814 120.570 0.232 0.000 2.321 341 I HA 0.539 4.707 4.170 -0.004 0.000 0.291 341 I C -0.138 176.051 176.117 0.121 0.000 0.998 341 I CA -1.014 60.388 61.300 0.171 0.000 1.227 341 I CB 0.980 39.067 38.000 0.144 0.000 1.368 341 I HN 0.438 nan 8.210 nan 0.000 0.466 342 V N 3.920 123.879 119.914 0.075 0.000 3.046 342 V HA 0.868 4.985 4.120 -0.004 0.000 0.316 342 V C -0.602 175.478 176.094 -0.023 0.000 1.104 342 V CA -0.707 61.596 62.300 0.004 0.000 1.006 342 V CB 2.323 34.110 31.823 -0.059 0.000 1.058 342 V HN 0.847 nan 8.190 nan 0.000 0.440 343 E N 1.746 121.916 120.200 -0.050 0.000 2.312 343 E HA 0.650 4.998 4.350 -0.004 0.000 0.267 343 E C -3.076 173.458 176.600 -0.109 0.000 0.894 343 E CA -2.549 53.809 56.400 -0.069 0.000 0.773 343 E CB 2.253 31.954 29.700 0.003 0.000 1.241 343 E HN 0.516 nan 8.360 nan 0.000 0.432 344 P HA 0.031 nan 4.420 nan 0.000 0.267 344 P C -0.762 176.523 177.300 -0.026 0.000 1.209 344 P CA 0.090 63.124 63.100 -0.109 0.000 0.763 344 P CB 0.896 32.527 31.700 -0.115 0.000 0.816 345 S N 1.670 117.363 115.700 -0.012 0.000 2.709 345 S HA 0.376 4.844 4.470 -0.004 0.000 0.302 345 S C -0.498 174.131 174.600 0.047 0.000 1.127 345 S CA -0.708 57.510 58.200 0.029 0.000 0.905 345 S CB 0.999 64.220 63.200 0.036 0.000 1.151 345 S HN 0.363 nan 8.310 nan 0.000 0.510 346 D N 1.158 121.596 120.400 0.063 0.000 2.362 346 D HA 0.415 5.053 4.640 -0.004 0.000 0.242 346 D C 0.789 177.128 176.300 0.064 0.000 1.132 346 D CA 0.276 54.303 54.000 0.045 0.000 0.907 346 D CB 0.468 41.283 40.800 0.025 0.000 1.195 346 D HN 0.565 nan 8.370 nan 0.000 0.429 347 G N -0.240 108.579 108.800 0.033 0.000 2.570 347 G HA2 0.221 4.179 3.960 -0.004 0.000 0.276 347 G HA3 0.221 4.179 3.960 -0.004 0.000 0.276 347 G C -0.101 174.801 174.900 0.004 0.000 1.346 347 G CA -0.506 44.601 45.100 0.011 0.000 1.034 347 G HN 0.389 nan 8.290 nan 0.000 0.512 348 V N 0.023 119.923 119.914 -0.025 0.000 2.788 348 V HA 0.516 4.634 4.120 -0.004 0.000 0.307 348 V C 0.901 176.966 176.094 -0.048 0.000 1.069 348 V CA 1.563 63.851 62.300 -0.020 0.000 1.173 348 V CB 0.584 32.384 31.823 -0.039 0.000 0.925 348 V HN 1.398 nan 8.190 nan 0.000 0.492 349 G N 5.372 114.146 108.800 -0.042 0.000 2.489 349 G HA2 0.499 4.457 3.960 -0.004 0.000 0.305 349 G HA3 0.499 4.457 3.960 -0.004 0.000 0.305 349 G C -1.422 173.441 174.900 -0.062 0.000 1.311 349 G CA -0.586 44.479 45.100 -0.059 0.000 0.813 349 G HN 0.732 nan 8.290 nan 0.000 0.480 350 I N 0.000 120.532 120.570 -0.063 0.000 2.984 350 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 350 I CA 0.000 61.262 61.300 -0.063 0.000 1.566 350 I CB 0.000 37.968 38.000 -0.053 0.000 1.214 350 I HN 0.000 nan 8.210 nan 0.000 0.494