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 1mps_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPFGIF SHLDWTNNFS LVHGNLRYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.618 177.584 0.056 0.000 1.274 1 A CA 0.000 52.061 52.037 0.040 0.000 0.836 1 A CB 0.000 19.016 19.000 0.027 0.000 0.831 2 E N -1.100 119.136 120.200 0.060 0.000 2.937 2 E HA -0.191 4.159 4.350 0.000 0.000 0.152 2 E C -1.306 175.354 176.600 0.100 0.000 1.769 2 E CA 0.707 57.142 56.400 0.058 0.000 0.688 2 E CB -1.024 28.691 29.700 0.024 0.000 1.091 2 E HN 1.045 nan 8.360 nan 0.000 0.362 3 Y N 3.059 123.349 120.300 -0.016 0.000 2.537 3 Y HA 0.040 4.590 4.550 0.000 0.000 0.339 3 Y C 1.390 177.274 175.900 -0.027 0.000 1.066 3 Y CA 0.089 58.182 58.100 -0.012 0.000 1.357 3 Y CB 0.648 39.101 38.460 -0.011 0.000 1.175 3 Y HN 0.216 nan 8.280 nan 0.000 0.525 4 Q N 4.096 123.659 119.800 -0.396 0.000 2.398 4 Q HA -0.093 4.247 4.340 0.000 0.000 0.204 4 Q C 0.658 176.267 176.000 -0.651 0.000 0.932 4 Q CA 0.882 56.435 55.803 -0.416 0.000 0.916 4 Q CB -0.219 28.388 28.738 -0.218 0.000 1.024 4 Q HN 0.975 nan 8.270 nan 0.000 0.504 5 N N -0.049 117.885 118.700 -1.277 0.000 2.747 5 N HA -0.179 4.561 4.740 0.000 0.000 0.249 5 N C 0.423 175.691 175.510 -0.404 0.000 1.107 5 N CA 0.036 52.536 53.050 -0.917 0.000 0.707 5 N CB -0.314 37.818 38.487 -0.592 0.000 1.054 5 N HN 0.145 nan 8.380 nan 0.000 0.555 6 I N -0.557 119.809 120.570 -0.341 0.000 2.585 6 I HA 0.060 4.230 4.170 0.000 0.000 0.254 6 I C 0.637 176.511 176.117 -0.405 0.000 1.129 6 I CA 1.310 62.380 61.300 -0.383 0.000 1.455 6 I CB -0.433 37.314 38.000 -0.422 0.000 1.111 6 I HN 0.037 nan 8.210 nan 0.000 0.433 7 F N 0.193 120.214 119.950 0.118 0.000 2.563 7 F HA 0.384 4.911 4.527 0.000 0.000 0.316 7 F C 0.781 176.776 175.800 0.325 0.000 1.076 7 F CA -1.006 57.138 58.000 0.239 0.000 0.921 7 F CB 1.363 40.478 39.000 0.193 0.000 1.209 7 F HN -0.331 nan 8.300 nan 0.000 0.462 8 S N 1.548 117.602 115.700 0.589 0.000 2.576 8 S HA 0.091 4.561 4.470 0.000 0.000 0.276 8 S C 0.930 175.820 174.600 0.484 0.000 1.339 8 S CA -0.441 58.042 58.200 0.473 0.000 1.039 8 S CB 1.089 64.497 63.200 0.346 0.000 0.902 8 S HN 0.695 nan 8.310 nan 0.000 0.516 9 Q N 0.593 120.549 119.800 0.260 0.000 2.163 9 Q HA 0.117 4.457 4.340 0.000 0.000 0.198 9 Q C -0.201 175.933 176.000 0.223 0.000 0.954 9 Q CA 0.731 56.618 55.803 0.139 0.000 0.851 9 Q CB 0.257 28.901 28.738 -0.156 0.000 0.928 9 Q HN 0.448 nan 8.270 nan 0.000 0.459 10 V N 0.653 120.655 119.914 0.147 0.000 2.925 10 V HA 0.262 4.382 4.120 0.000 0.000 0.311 10 V C -0.922 175.166 176.094 -0.011 0.000 1.104 10 V CA -0.883 61.463 62.300 0.077 0.000 0.954 10 V CB 2.140 33.975 31.823 0.020 0.000 1.022 10 V HN 0.089 nan 8.190 nan 0.000 0.427 11 Q N 1.585 121.311 119.800 -0.124 0.000 2.309 11 Q HA 0.758 5.098 4.340 0.000 0.000 0.264 11 Q C -1.433 174.497 176.000 -0.116 0.000 1.008 11 Q CA -0.618 55.072 55.803 -0.187 0.000 0.853 11 Q CB 2.822 31.318 28.738 -0.404 0.000 1.314 11 Q HN 0.529 nan 8.270 nan 0.000 0.448 12 V N 2.489 122.355 119.914 -0.081 0.000 2.680 12 V HA 0.576 4.697 4.120 0.000 0.000 0.309 12 V C -0.610 175.455 176.094 -0.049 0.000 1.052 12 V CA -0.629 61.637 62.300 -0.057 0.000 0.908 12 V CB 2.165 33.967 31.823 -0.034 0.000 1.001 12 V HN 0.661 nan 8.190 nan 0.000 0.431 13 R N 1.872 122.333 120.500 -0.065 0.000 2.725 13 R HA 0.777 5.117 4.340 0.000 0.000 0.277 13 R C -0.443 175.801 176.300 -0.094 0.000 0.987 13 R CA -0.186 55.867 56.100 -0.078 0.000 0.901 13 R CB 2.333 32.535 30.300 -0.163 0.000 1.207 13 R HN 0.907 nan 8.270 nan 0.000 0.463 14 G N 2.171 110.923 108.800 -0.080 0.000 3.022 14 G HA2 0.545 4.505 3.960 0.000 0.000 0.284 14 G HA3 0.545 4.505 3.960 0.000 0.000 0.284 14 G C -2.693 172.154 174.900 -0.089 0.000 1.375 14 G CA -1.109 43.948 45.100 -0.072 0.000 0.902 14 G HN 0.434 nan 8.290 nan 0.000 0.538 15 P HA 0.389 nan 4.420 nan 0.000 0.266 15 P C 0.172 177.518 177.300 0.077 0.000 1.195 15 P CA 0.049 63.135 63.100 -0.023 0.000 0.768 15 P CB 0.619 32.315 31.700 -0.008 0.000 0.838 16 A N 2.069 124.980 122.820 0.151 0.000 2.540 16 A HA 0.101 4.421 4.320 0.000 0.000 0.239 16 A C 0.276 177.945 177.584 0.143 0.000 1.061 16 A CA 0.137 52.359 52.037 0.307 0.000 0.758 16 A CB -0.333 18.853 19.000 0.310 0.000 0.991 16 A HN 0.565 nan 8.150 nan 0.000 0.502 17 D N 1.755 122.222 120.400 0.111 0.000 2.274 17 D HA 0.384 5.024 4.640 0.000 0.000 0.239 17 D C 0.599 176.913 176.300 0.022 0.000 1.104 17 D CA -0.222 53.807 54.000 0.048 0.000 0.840 17 D CB 0.576 41.395 40.800 0.031 0.000 1.100 17 D HN 0.354 nan 8.370 nan 0.000 0.477 18 L N 3.175 124.408 121.223 0.017 0.000 2.599 18 L HA 0.316 4.657 4.340 0.000 0.000 0.230 18 L C 1.389 178.258 176.870 -0.002 0.000 1.141 18 L CA 0.284 55.129 54.840 0.008 0.000 0.877 18 L CB -0.931 41.134 42.059 0.010 0.000 1.009 18 L HN 0.728 nan 8.230 nan 0.000 0.447 19 G N -0.027 108.769 108.800 -0.007 0.000 2.796 19 G HA2 -0.192 3.768 3.960 0.000 0.000 0.571 19 G HA3 -0.192 3.768 3.960 0.000 0.000 0.571 19 G C -0.373 174.517 174.900 -0.018 0.000 1.370 19 G CA -0.892 44.198 45.100 -0.017 0.000 0.856 19 G HN -0.131 nan 8.290 nan 0.000 0.538 20 M N 0.380 119.963 119.600 -0.028 0.000 2.242 20 M HA 0.347 4.827 4.480 0.000 0.000 0.344 20 M C 1.674 177.956 176.300 -0.029 0.000 1.140 20 M CA 0.344 55.626 55.300 -0.030 0.000 1.160 20 M CB 0.411 32.986 32.600 -0.041 0.000 1.491 20 M HN 0.696 nan 8.290 nan 0.000 0.459 21 T N 0.130 114.669 114.554 -0.025 0.000 2.904 21 T HA 0.042 4.392 4.350 0.000 0.000 0.243 21 T C 0.739 175.420 174.700 -0.032 0.000 1.024 21 T CA 0.325 62.413 62.100 -0.020 0.000 1.158 21 T CB 0.093 68.954 68.868 -0.012 0.000 0.867 21 T HN 0.691 nan 8.240 nan 0.000 0.429 22 E N 0.691 120.870 120.200 -0.035 0.000 3.440 22 E HA -0.195 4.155 4.350 0.000 0.000 0.328 22 E C 0.041 176.617 176.600 -0.039 0.000 1.514 22 E CA 1.655 58.030 56.400 -0.043 0.000 1.926 22 E CB -0.904 28.759 29.700 -0.061 0.000 1.874 22 E HN 0.344 nan 8.360 nan 0.000 0.471 23 D N 0.087 120.457 120.400 -0.051 0.000 2.325 23 D HA 0.109 4.749 4.640 0.000 0.000 0.225 23 D C -0.370 175.906 176.300 -0.040 0.000 1.096 23 D CA 0.180 54.154 54.000 -0.043 0.000 0.844 23 D CB -0.052 40.717 40.800 -0.052 0.000 0.925 23 D HN 0.020 nan 8.370 nan 0.000 0.513 24 V N 2.154 122.043 119.914 -0.042 0.000 2.521 24 V HA -0.047 4.073 4.120 0.000 0.000 0.286 24 V C 0.907 177.038 176.094 0.061 0.000 1.034 24 V CA -0.568 61.722 62.300 -0.016 0.000 1.045 24 V CB 0.666 32.475 31.823 -0.023 0.000 0.974 24 V HN 0.078 nan 8.190 nan 0.000 0.480 25 N N 4.725 123.509 118.700 0.140 0.000 2.421 25 N HA 0.052 4.792 4.740 0.000 0.000 0.260 25 N C 0.560 176.141 175.510 0.119 0.000 1.173 25 N CA -0.289 52.833 53.050 0.119 0.000 0.960 25 N CB 0.755 39.316 38.487 0.124 0.000 1.273 25 N HN 0.509 nan 8.380 nan 0.000 0.497 26 L N 3.187 124.445 121.223 0.058 0.000 2.551 26 L HA -0.047 4.293 4.340 0.000 0.000 0.230 26 L C 2.114 178.973 176.870 -0.019 0.000 1.163 26 L CA 0.922 55.779 54.840 0.029 0.000 0.826 26 L CB -1.069 40.999 42.059 0.015 0.000 0.943 26 L HN 0.677 nan 8.230 nan 0.000 0.452 27 A N -0.804 121.995 122.820 -0.035 0.000 2.066 27 A HA -0.106 4.214 4.320 0.000 0.000 0.218 27 A C 1.932 179.435 177.584 -0.134 0.000 1.157 27 A CA 1.204 53.201 52.037 -0.066 0.000 0.670 27 A CB -0.315 18.654 19.000 -0.051 0.000 0.804 27 A HN 0.458 nan 8.150 nan 0.000 0.453 28 N N -0.796 117.762 118.700 -0.235 0.000 2.299 28 N HA 0.035 4.775 4.740 0.000 0.000 0.187 28 N C 0.561 175.799 175.510 -0.453 0.000 1.099 28 N CA 0.123 52.895 53.050 -0.463 0.000 0.867 28 N CB -0.002 37.921 38.487 -0.941 0.000 0.974 28 N HN 0.466 nan 8.380 nan 0.000 0.477 29 R N 1.929 122.291 120.500 -0.230 0.000 2.248 29 R HA 0.127 4.467 4.340 0.000 0.000 0.328 29 R C 0.589 176.842 176.300 -0.078 0.000 1.067 29 R CA -0.130 55.912 56.100 -0.097 0.000 0.924 29 R CB 0.457 30.766 30.300 0.015 0.000 1.013 29 R HN 0.099 nan 8.270 nan 0.000 0.454 30 S N 2.768 118.426 115.700 -0.069 0.000 2.634 30 S HA 0.258 4.728 4.470 0.000 0.000 0.254 30 S C 0.689 175.273 174.600 -0.027 0.000 1.299 30 S CA -0.410 57.760 58.200 -0.049 0.000 0.974 30 S CB 0.775 63.952 63.200 -0.040 0.000 1.001 30 S HN 0.668 nan 8.310 nan 0.000 0.584 31 G N -0.890 107.899 108.800 -0.019 0.000 2.528 31 G HA2 0.499 4.459 3.960 0.000 0.000 0.289 31 G HA3 0.499 4.459 3.960 0.000 0.000 0.289 31 G C -0.548 174.351 174.900 -0.002 0.000 1.192 31 G CA -0.888 44.209 45.100 -0.006 0.000 0.921 31 G HN 0.796 nan 8.290 nan 0.000 0.512 32 V N 0.616 120.537 119.914 0.012 0.000 2.614 32 V HA 0.472 4.592 4.120 0.000 0.000 0.291 32 V C 1.351 177.456 176.094 0.018 0.000 1.049 32 V CA 0.261 62.567 62.300 0.011 0.000 1.038 32 V CB 0.753 32.606 31.823 0.051 0.000 0.980 32 V HN 0.933 nan 8.190 nan 0.000 0.481 33 G N 4.881 113.673 108.800 -0.015 0.000 2.509 33 G HA2 0.539 4.499 3.960 0.000 0.000 0.269 33 G HA3 0.539 4.499 3.960 0.000 0.000 0.269 33 G C -2.330 172.588 174.900 0.030 0.000 1.416 33 G CA -0.923 44.175 45.100 -0.002 0.000 1.052 33 G HN 0.646 nan 8.290 nan 0.000 0.542 34 P HA 0.295 nan 4.420 nan 0.000 0.274 34 P C -1.323 176.032 177.300 0.091 0.000 1.246 34 P CA -0.271 62.899 63.100 0.116 0.000 0.795 34 P CB 0.863 32.608 31.700 0.076 0.000 1.006 35 F N -0.101 119.840 119.950 -0.015 0.000 2.404 35 F HA 0.239 4.766 4.527 0.000 0.000 0.354 35 F C 1.252 177.037 175.800 -0.024 0.000 1.122 35 F CA -0.147 57.839 58.000 -0.023 0.000 1.080 35 F CB 1.254 40.233 39.000 -0.035 0.000 1.131 35 F HN 0.114 nan 8.300 nan 0.000 0.471 36 S N 2.456 118.198 115.700 0.070 0.000 2.399 36 S HA 0.167 4.637 4.470 0.000 0.000 0.301 36 S C 1.048 175.666 174.600 0.030 0.000 1.093 36 S CA -0.502 57.727 58.200 0.049 0.000 1.077 36 S CB 0.437 63.652 63.200 0.025 0.000 0.980 36 S HN 0.750 nan 8.310 nan 0.000 0.494 37 T N 5.729 120.291 114.554 0.015 0.000 2.881 37 T HA -0.100 4.250 4.350 0.000 0.000 0.270 37 T C 1.683 176.333 174.700 -0.083 0.000 1.068 37 T CA 1.067 63.112 62.100 -0.092 0.000 1.131 37 T CB -0.231 68.602 68.868 -0.059 0.000 0.871 37 T HN 0.551 nan 8.240 nan 0.000 0.479 38 L N 0.979 122.261 121.223 0.097 0.000 1.988 38 L HA 0.065 4.405 4.340 0.000 0.000 0.207 38 L C 2.187 179.209 176.870 0.253 0.000 1.071 38 L CA 1.619 56.610 54.840 0.251 0.000 0.744 38 L CB -0.598 41.557 42.059 0.161 0.000 0.893 38 L HN 0.211 nan 8.230 nan 0.000 0.433 39 L N -0.660 120.650 121.223 0.144 0.000 2.131 39 L HA -0.150 4.190 4.340 0.000 0.000 0.210 39 L C 2.461 179.432 176.870 0.167 0.000 1.092 39 L CA 1.140 56.075 54.840 0.159 0.000 0.759 39 L CB -1.364 40.748 42.059 0.089 0.000 0.903 39 L HN 0.515 nan 8.230 nan 0.000 0.435 40 G N -0.786 108.037 108.800 0.037 0.000 2.479 40 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 40 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 40 G C 1.143 176.047 174.900 0.007 0.000 1.115 40 G CA 0.248 45.320 45.100 -0.047 0.000 0.757 40 G HN 0.439 nan 8.290 nan 0.000 0.560 41 W N -1.282 120.123 121.300 0.174 0.000 2.467 41 W HA 0.231 4.891 4.660 0.000 0.000 0.275 41 W C 1.954 178.727 176.519 0.423 0.000 1.239 41 W CA -0.298 57.187 57.345 0.233 0.000 1.266 41 W CB -0.098 29.451 29.460 0.148 0.000 1.112 41 W HN 0.159 nan 8.180 nan 0.000 0.576 42 F N -0.909 119.291 119.950 0.417 0.000 2.500 42 F HA 0.398 4.925 4.527 0.000 0.000 0.285 42 F C 1.469 177.353 175.800 0.141 0.000 1.088 42 F CA 1.321 59.499 58.000 0.296 0.000 1.432 42 F CB -0.243 38.914 39.000 0.262 0.000 1.131 42 F HN -0.220 nan 8.300 nan 0.000 0.582 43 G N -0.768 108.153 108.800 0.201 0.000 3.000 43 G HA2 0.167 4.127 3.960 0.000 0.000 0.170 43 G HA3 0.167 4.127 3.960 0.000 0.000 0.170 43 G C -1.246 173.684 174.900 0.051 0.000 1.160 43 G CA -0.724 44.406 45.100 0.049 0.000 0.945 43 G HN -0.086 nan 8.290 nan 0.000 0.593 44 N N 0.743 119.456 118.700 0.022 0.000 2.530 44 N HA 0.458 5.198 4.740 0.000 0.000 0.273 44 N C 0.934 176.434 175.510 -0.017 0.000 1.173 44 N CA 0.406 53.453 53.050 -0.006 0.000 0.967 44 N CB 1.739 40.206 38.487 -0.033 0.000 1.109 44 N HN 0.571 nan 8.380 nan 0.000 0.453 45 A N 1.683 124.485 122.820 -0.030 0.000 2.147 45 A HA -0.031 4.289 4.320 0.000 0.000 0.211 45 A C 0.891 178.332 177.584 -0.238 0.000 1.160 45 A CA 0.286 52.299 52.037 -0.040 0.000 0.781 45 A CB -0.159 18.884 19.000 0.072 0.000 0.842 45 A HN 0.734 nan 8.150 nan 0.000 0.475 46 Q N 0.413 119.952 119.800 -0.435 0.000 2.304 46 Q HA 0.486 4.826 4.340 0.000 0.000 0.260 46 Q C -1.319 174.412 176.000 -0.449 0.000 0.965 46 Q CA -0.085 55.209 55.803 -0.848 0.000 0.898 46 Q CB 0.452 28.729 28.738 -0.768 0.000 1.196 46 Q HN 0.479 nan 8.270 nan 0.000 0.402 47 L N 4.277 125.245 121.223 -0.425 0.000 2.313 47 L HA 0.655 4.995 4.340 0.000 0.000 0.283 47 L C 0.420 177.186 176.870 -0.174 0.000 1.013 47 L CA -0.132 54.582 54.840 -0.211 0.000 0.816 47 L CB 1.581 43.560 42.059 -0.133 0.000 1.236 47 L HN 1.029 nan 8.230 nan 0.000 0.419 48 G N 3.914 112.647 108.800 -0.113 0.000 2.828 48 G HA2 -0.153 3.807 3.960 0.000 0.000 0.463 48 G HA3 -0.153 3.807 3.960 0.000 0.000 0.463 48 G C -2.934 171.920 174.900 -0.076 0.000 1.394 48 G CA -0.940 44.115 45.100 -0.074 0.000 0.862 48 G HN 0.449 nan 8.290 nan 0.000 0.540 49 P HA 0.583 nan 4.420 nan 0.000 0.277 49 P C -0.283 177.010 177.300 -0.010 0.000 1.271 49 P CA -0.439 62.648 63.100 -0.022 0.000 0.795 49 P CB 1.231 32.925 31.700 -0.010 0.000 1.101 50 I N 0.196 120.767 120.570 0.000 0.000 2.545 50 I HA 0.323 4.494 4.170 0.000 0.000 0.292 50 I C -1.035 175.107 176.117 0.042 0.000 1.040 50 I CA -1.378 59.936 61.300 0.023 0.000 1.068 50 I CB 1.672 39.684 38.000 0.021 0.000 1.251 50 I HN 0.229 nan 8.210 nan 0.000 0.424 51 Y N 7.712 127.972 120.300 -0.066 0.000 2.316 51 Y HA 0.526 5.076 4.550 0.000 0.000 0.331 51 Y C -1.196 174.659 175.900 -0.074 0.000 1.083 51 Y CA -0.281 57.774 58.100 -0.073 0.000 1.206 51 Y CB 1.209 39.610 38.460 -0.097 0.000 1.195 51 Y HN 0.523 nan 8.280 nan 0.000 0.497 52 L N 7.265 128.276 121.223 -0.355 0.000 2.489 52 L HA 0.531 4.871 4.340 0.000 0.000 0.257 52 L C 0.008 176.710 176.870 -0.281 0.000 1.215 52 L CA -0.082 54.654 54.840 -0.174 0.000 0.915 52 L CB 0.566 42.569 42.059 -0.093 0.000 1.146 52 L HN 0.825 nan 8.230 nan 0.000 0.494 53 G N 0.404 109.103 108.800 -0.167 0.000 2.508 53 G HA2 0.350 4.310 3.960 0.000 0.000 0.278 53 G HA3 0.350 4.310 3.960 0.000 0.000 0.278 53 G C 0.899 175.796 174.900 -0.004 0.000 1.389 53 G CA 0.297 45.351 45.100 -0.077 0.000 1.050 53 G HN 0.585 nan 8.290 nan 0.000 0.522 54 S N -0.802 114.910 115.700 0.019 0.000 2.348 54 S HA -0.162 4.308 4.470 0.000 0.000 0.221 54 S C 2.341 176.971 174.600 0.049 0.000 1.033 54 S CA 1.420 59.636 58.200 0.026 0.000 1.010 54 S CB -0.557 62.660 63.200 0.029 0.000 0.891 54 S HN 0.281 nan 8.310 nan 0.000 0.442 55 L N 2.704 123.960 121.223 0.056 0.000 2.127 55 L HA 0.093 4.434 4.340 0.000 0.000 0.211 55 L C 2.491 179.398 176.870 0.061 0.000 1.089 55 L CA 1.711 56.586 54.840 0.058 0.000 0.757 55 L CB -1.348 40.730 42.059 0.033 0.000 0.899 55 L HN 0.487 nan 8.230 nan 0.000 0.434 56 G N -1.769 107.058 108.800 0.045 0.000 2.394 56 G HA2 -0.154 3.806 3.960 0.000 0.000 0.214 56 G HA3 -0.154 3.806 3.960 0.000 0.000 0.214 56 G C 1.535 176.501 174.900 0.109 0.000 1.176 56 G CA 0.873 46.005 45.100 0.052 0.000 0.786 56 G HN 0.288 nan 8.290 nan 0.000 0.533 57 V N 0.898 120.859 119.914 0.078 0.000 2.343 57 V HA -0.144 3.976 4.120 0.000 0.000 0.247 57 V C 2.671 178.851 176.094 0.145 0.000 1.051 57 V CA 1.612 63.964 62.300 0.087 0.000 1.036 57 V CB -0.580 31.262 31.823 0.032 0.000 0.654 57 V HN 0.338 nan 8.190 nan 0.000 0.451 58 L N 0.214 121.521 121.223 0.139 0.000 1.970 58 L HA -0.165 4.175 4.340 0.000 0.000 0.212 58 L C 2.676 179.664 176.870 0.197 0.000 1.071 58 L CA 2.512 57.463 54.840 0.185 0.000 0.751 58 L CB -0.854 41.294 42.059 0.148 0.000 0.889 58 L HN 0.317 nan 8.230 nan 0.000 0.432 59 S N -0.889 114.920 115.700 0.181 0.000 2.359 59 S HA -0.235 4.235 4.470 0.000 0.000 0.222 59 S C 2.039 176.734 174.600 0.159 0.000 1.038 59 S CA 1.897 60.215 58.200 0.197 0.000 1.051 59 S CB -0.628 62.773 63.200 0.334 0.000 0.944 59 S HN 0.400 nan 8.310 nan 0.000 0.433 60 L N 0.473 121.812 121.223 0.193 0.000 2.127 60 L HA -0.009 4.331 4.340 0.000 0.000 0.211 60 L C 1.993 178.940 176.870 0.129 0.000 1.089 60 L CA 1.756 56.679 54.840 0.138 0.000 0.757 60 L CB -0.819 41.333 42.059 0.154 0.000 0.899 60 L HN 0.518 nan 8.230 nan 0.000 0.434 61 F N -1.026 118.932 119.950 0.013 0.000 2.149 61 F HA -0.089 4.439 4.527 0.000 0.000 0.294 61 F C 2.509 178.268 175.800 -0.068 0.000 1.095 61 F CA 1.423 59.415 58.000 -0.013 0.000 1.276 61 F CB -0.587 38.411 39.000 -0.004 0.000 1.023 61 F HN -0.001 nan 8.300 nan 0.000 0.480 62 S N 0.478 116.038 115.700 -0.233 0.000 2.383 62 S HA -0.133 4.337 4.470 0.000 0.000 0.229 62 S C 2.355 176.800 174.600 -0.257 0.000 1.030 62 S CA 1.203 59.187 58.200 -0.359 0.000 1.002 62 S CB -1.339 61.813 63.200 -0.080 0.000 0.829 62 S HN 0.603 nan 8.310 nan 0.000 0.467 63 G N 1.791 110.511 108.800 -0.133 0.000 2.440 63 G HA2 -0.151 3.809 3.960 0.000 0.000 0.218 63 G HA3 -0.151 3.809 3.960 0.000 0.000 0.218 63 G C 1.327 176.189 174.900 -0.063 0.000 1.154 63 G CA 0.662 45.723 45.100 -0.065 0.000 0.767 63 G HN 0.440 nan 8.290 nan 0.000 0.552 64 L N -0.166 120.938 121.223 -0.198 0.000 2.093 64 L HA -0.047 4.293 4.340 0.000 0.000 0.208 64 L C 3.064 179.773 176.870 -0.269 0.000 1.085 64 L CA 0.575 55.226 54.840 -0.314 0.000 0.755 64 L CB -0.322 41.653 42.059 -0.140 0.000 0.904 64 L HN 0.150 nan 8.230 nan 0.000 0.435 65 M N -1.213 118.157 119.600 -0.382 0.000 2.117 65 M HA -0.237 4.243 4.480 0.000 0.000 0.262 65 M C 2.090 178.304 176.300 -0.145 0.000 1.065 65 M CA 1.692 56.693 55.300 -0.498 0.000 1.114 65 M CB -1.251 30.427 32.600 -1.537 0.000 1.361 65 M HN 0.437 nan 8.290 nan 0.000 0.408 66 W N 0.490 121.670 121.300 -0.200 0.000 2.354 66 W HA -0.263 4.397 4.660 0.000 0.000 0.315 66 W C 2.246 178.692 176.519 -0.122 0.000 1.206 66 W CA 1.469 58.786 57.345 -0.046 0.000 1.290 66 W CB -0.981 28.413 29.460 -0.110 0.000 1.152 66 W HN 0.174 nan 8.180 nan 0.000 0.489 67 F N -0.037 119.589 119.950 -0.540 0.000 2.134 67 F HA -0.175 4.352 4.527 0.000 0.000 0.299 67 F C 2.012 177.481 175.800 -0.552 0.000 1.097 67 F CA 1.963 59.474 58.000 -0.816 0.000 1.264 67 F CB -0.837 37.802 39.000 -0.601 0.000 1.001 67 F HN -0.163 nan 8.300 nan 0.000 0.479 68 F N 0.135 120.001 119.950 -0.140 0.000 2.206 68 F HA -0.106 4.421 4.527 0.000 0.000 0.298 68 F C 2.584 178.299 175.800 -0.142 0.000 1.090 68 F CA 1.555 59.482 58.000 -0.120 0.000 1.323 68 F CB -1.557 37.430 39.000 -0.021 0.000 1.028 68 F HN -0.161 nan 8.300 nan 0.000 0.492 69 T N 0.741 115.326 114.554 0.051 0.000 2.720 69 T HA -0.179 4.171 4.350 0.000 0.000 0.268 69 T C 2.227 176.888 174.700 -0.064 0.000 1.037 69 T CA 1.550 63.680 62.100 0.049 0.000 1.144 69 T CB -0.479 68.453 68.868 0.107 0.000 0.864 69 T HN 0.169 nan 8.240 nan 0.000 0.444 70 I N 1.001 121.361 120.570 -0.349 0.000 2.315 70 I HA -0.057 4.113 4.170 0.000 0.000 0.248 70 I C 2.862 178.691 176.117 -0.479 0.000 1.117 70 I CA 1.050 62.068 61.300 -0.470 0.000 1.404 70 I CB -0.689 36.768 38.000 -0.906 0.000 1.071 70 I HN 0.299 nan 8.210 nan 0.000 0.419 71 G N 2.217 110.760 108.800 -0.429 0.000 2.446 71 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 71 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 71 G C 1.661 176.695 174.900 0.224 0.000 1.168 71 G CA 1.116 46.108 45.100 -0.181 0.000 0.771 71 G HN 0.577 nan 8.290 nan 0.000 0.551 72 I N -3.210 117.525 120.570 0.275 0.000 2.493 72 I HA -0.013 4.157 4.170 0.000 0.000 0.254 72 I C 2.445 178.750 176.117 0.313 0.000 1.160 72 I CA 0.858 62.372 61.300 0.358 0.000 1.445 72 I CB -0.361 37.804 38.000 0.275 0.000 1.086 72 I HN 0.368 nan 8.210 nan 0.000 0.433 73 W N 2.063 123.439 121.300 0.126 0.000 2.381 73 W HA -0.209 4.451 4.660 0.000 0.000 0.301 73 W C 2.052 178.685 176.519 0.190 0.000 1.205 73 W CA 1.126 58.570 57.345 0.166 0.000 1.285 73 W CB -0.323 29.250 29.460 0.188 0.000 1.133 73 W HN 0.124 nan 8.180 nan 0.000 0.521 74 F N -0.245 119.625 119.950 -0.133 0.000 2.126 74 F HA -0.156 4.371 4.527 0.000 0.000 0.299 74 F C 2.122 177.431 175.800 -0.817 0.000 1.096 74 F CA 1.189 58.818 58.000 -0.620 0.000 1.255 74 F CB -1.670 37.081 39.000 -0.414 0.000 0.997 74 F HN -0.067 nan 8.300 nan 0.000 0.479 75 W N -1.300 119.909 121.300 -0.153 0.000 2.355 75 W HA -0.260 4.400 4.660 0.000 0.000 0.309 75 W C 2.659 178.636 176.519 -0.905 0.000 1.206 75 W CA 1.584 58.719 57.345 -0.350 0.000 1.284 75 W CB -1.102 28.214 29.460 -0.240 0.000 1.145 75 W HN 0.080 nan 8.180 nan 0.000 0.502 76 Y N 1.299 121.049 120.300 -0.915 0.000 2.165 76 Y HA -0.319 4.231 4.550 0.000 0.000 0.286 76 Y C 2.261 177.621 175.900 -0.899 0.000 1.155 76 Y CA 2.223 59.597 58.100 -1.209 0.000 1.164 76 Y CB -0.729 37.273 38.460 -0.763 0.000 0.978 76 Y HN 0.047 nan 8.280 nan 0.000 0.513 77 Q N -0.316 118.889 119.800 -0.992 0.000 2.172 77 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 77 Q C 2.183 177.833 176.000 -0.583 0.000 0.964 77 Q CA 0.976 56.266 55.803 -0.855 0.000 0.855 77 Q CB -0.231 28.058 28.738 -0.750 0.000 0.918 77 Q HN 0.590 nan 8.270 nan 0.000 0.444 78 A N 0.320 122.750 122.820 -0.649 0.000 2.235 78 A HA 0.226 4.546 4.320 0.000 0.000 0.208 78 A C 1.396 178.894 177.584 -0.144 0.000 1.172 78 A CA 0.697 52.596 52.037 -0.230 0.000 0.786 78 A CB -0.591 18.324 19.000 -0.142 0.000 0.804 78 A HN 0.447 nan 8.150 nan 0.000 0.479 79 G N -2.401 106.186 108.800 -0.355 0.000 2.225 79 G HA2 -0.321 3.639 3.960 0.000 0.000 0.267 79 G HA3 -0.321 3.639 3.960 0.000 0.000 0.267 79 G C 0.339 175.287 174.900 0.080 0.000 1.024 79 G CA 0.363 45.348 45.100 -0.193 0.000 0.784 79 G HN 1.159 nan 8.290 nan 0.000 0.507 80 W N -2.449 118.937 121.300 0.145 0.000 2.902 80 W HA -0.219 4.442 4.660 0.000 0.000 0.278 80 W C 0.731 177.418 176.519 0.279 0.000 1.066 80 W CA 0.454 57.938 57.345 0.232 0.000 0.570 80 W CB -1.895 27.594 29.460 0.049 0.000 2.092 80 W HN 0.657 nan 8.180 nan 0.000 1.423 81 N N 1.847 120.783 118.700 0.394 0.000 2.439 81 N HA 0.172 4.912 4.740 0.000 0.000 0.249 81 N C -0.499 175.232 175.510 0.367 0.000 1.003 81 N CA -1.805 51.427 53.050 0.303 0.000 0.942 81 N CB 1.325 39.923 38.487 0.185 0.000 1.115 81 N HN -0.167 nan 8.380 nan 0.000 0.505 82 P HA -0.195 nan 4.420 nan 0.000 0.217 82 P C 0.859 178.316 177.300 0.261 0.000 1.151 82 P CA 1.254 64.590 63.100 0.392 0.000 0.849 82 P CB 0.282 32.167 31.700 0.309 0.000 0.787 83 A N -0.181 122.750 122.820 0.185 0.000 1.898 83 A HA -0.081 4.239 4.320 0.000 0.000 0.216 83 A C 2.495 180.138 177.584 0.099 0.000 1.181 83 A CA 1.708 53.816 52.037 0.118 0.000 0.620 83 A CB -1.502 17.547 19.000 0.081 0.000 0.819 83 A HN 0.090 nan 8.150 nan 0.000 0.442 84 V N -1.219 118.769 119.914 0.122 0.000 2.358 84 V HA -0.207 3.913 4.120 0.000 0.000 0.246 84 V C 2.236 178.423 176.094 0.156 0.000 1.047 84 V CA 1.914 64.273 62.300 0.098 0.000 1.035 84 V CB -1.028 30.862 31.823 0.112 0.000 0.658 84 V HN 0.605 nan 8.190 nan 0.000 0.452 85 F N 0.735 120.697 119.950 0.021 0.000 2.065 85 F HA -0.241 4.286 4.527 0.000 0.000 0.298 85 F C 2.075 177.868 175.800 -0.012 0.000 1.112 85 F CA 1.942 59.907 58.000 -0.058 0.000 1.212 85 F CB -0.266 38.395 39.000 -0.565 0.000 0.975 85 F HN 0.019 nan 8.300 nan 0.000 0.476 86 L N -0.266 121.020 121.223 0.105 0.000 2.141 86 L HA -0.164 4.176 4.340 0.000 0.000 0.209 86 L C 2.676 179.448 176.870 -0.163 0.000 1.094 86 L CA 1.292 56.111 54.840 -0.035 0.000 0.763 86 L CB -0.689 41.410 42.059 0.067 0.000 0.908 86 L HN 0.152 nan 8.230 nan 0.000 0.437 87 R N 0.387 120.810 120.500 -0.129 0.000 2.062 87 R HA -0.132 4.208 4.340 0.000 0.000 0.231 87 R C 0.860 176.977 176.300 -0.306 0.000 1.136 87 R CA 1.677 57.665 56.100 -0.187 0.000 0.948 87 R CB 0.054 30.268 30.300 -0.143 0.000 0.845 87 R HN 0.265 nan 8.270 nan 0.000 0.430 88 D N 0.895 121.029 120.400 -0.444 0.000 2.358 88 D HA -0.024 4.616 4.640 0.000 0.000 0.224 88 D C 1.377 177.034 176.300 -1.071 0.000 1.123 88 D CA -0.072 53.469 54.000 -0.764 0.000 0.833 88 D CB 0.419 40.571 40.800 -1.079 0.000 0.946 88 D HN 0.133 nan 8.370 nan 0.000 0.505 89 L N 0.218 121.047 121.223 -0.656 0.000 2.064 89 L HA -0.231 4.109 4.340 0.000 0.000 0.216 89 L C 1.577 178.303 176.870 -0.240 0.000 1.077 89 L CA 1.720 56.280 54.840 -0.467 0.000 0.766 89 L CB -0.425 41.371 42.059 -0.440 0.000 0.890 89 L HN -0.018 nan 8.230 nan 0.000 0.435 90 F N -1.723 117.908 119.950 -0.531 0.000 2.512 90 F HA 0.005 4.533 4.527 0.000 0.000 0.296 90 F C 2.046 177.314 175.800 -0.886 0.000 1.110 90 F CA 0.362 57.833 58.000 -0.881 0.000 1.446 90 F CB -1.052 36.995 39.000 -1.590 0.000 1.092 90 F HN 0.059 nan 8.300 nan 0.000 0.554 91 F N -1.520 118.148 119.950 -0.469 0.000 2.569 91 F HA 0.069 4.596 4.527 0.000 0.000 0.295 91 F C 0.927 176.542 175.800 -0.307 0.000 1.115 91 F CA -0.515 57.316 58.000 -0.281 0.000 1.450 91 F CB -1.128 37.710 39.000 -0.271 0.000 1.107 91 F HN -0.333 nan 8.300 nan 0.000 0.563 92 F N 0.546 120.333 119.950 -0.273 0.000 2.586 92 F HA 0.310 4.837 4.527 0.000 0.000 0.344 92 F C 0.820 176.389 175.800 -0.386 0.000 1.188 92 F CA -0.478 57.175 58.000 -0.580 0.000 1.359 92 F CB 0.081 38.201 39.000 -1.467 0.000 1.129 92 F HN -0.271 nan 8.300 nan 0.000 0.609 93 S N 1.495 117.312 115.700 0.195 0.000 2.560 93 S HA 0.475 4.945 4.470 0.000 0.000 0.283 93 S C -1.990 172.978 174.600 0.612 0.000 1.141 93 S CA -0.755 57.696 58.200 0.418 0.000 0.902 93 S CB 0.802 64.188 63.200 0.310 0.000 1.104 93 S HN 0.555 nan 8.310 nan 0.000 0.454 94 L N 4.975 126.513 121.223 0.526 0.000 2.297 94 L HA 0.584 4.924 4.340 0.000 0.000 0.277 94 L C -0.020 176.978 176.870 0.212 0.000 1.040 94 L CA 0.026 54.971 54.840 0.175 0.000 0.867 94 L CB 0.552 42.727 42.059 0.192 0.000 1.244 94 L HN 0.657 nan 8.230 nan 0.000 0.433 95 E N 4.889 125.122 120.200 0.054 0.000 2.374 95 E HA 0.323 4.673 4.350 0.000 0.000 0.260 95 E C -2.310 174.074 176.600 -0.360 0.000 1.101 95 E CA -1.672 54.683 56.400 -0.076 0.000 0.907 95 E CB 0.229 29.928 29.700 -0.001 0.000 1.014 95 E HN 0.428 nan 8.360 nan 0.000 0.427 96 P HA 0.152 nan 4.420 nan 0.000 0.276 96 P C -2.375 174.666 177.300 -0.432 0.000 1.252 96 P CA -1.092 61.328 63.100 -1.133 0.000 0.802 96 P CB -0.121 30.884 31.700 -1.158 0.000 1.035 97 P HA 0.079 nan 4.420 nan 0.000 0.272 97 P C -0.618 176.711 177.300 0.047 0.000 1.223 97 P CA -0.054 62.995 63.100 -0.085 0.000 0.784 97 P CB 0.321 31.991 31.700 -0.049 0.000 0.923 98 A N 4.285 127.217 122.820 0.187 0.000 2.520 98 A HA 0.124 4.444 4.320 0.000 0.000 0.235 98 A C -1.131 176.568 177.584 0.192 0.000 1.065 98 A CA -0.660 51.503 52.037 0.210 0.000 0.764 98 A CB -1.313 17.847 19.000 0.267 0.000 1.002 98 A HN 0.411 nan 8.150 nan 0.000 0.502 99 P HA -0.189 nan 4.420 nan 0.000 0.217 99 P C 0.867 178.151 177.300 -0.026 0.000 1.148 99 P CA 1.753 64.860 63.100 0.013 0.000 0.834 99 P CB 0.127 31.819 31.700 -0.013 0.000 0.783 100 E N -1.711 118.444 120.200 -0.075 0.000 2.118 100 E HA -0.207 4.143 4.350 0.000 0.000 0.195 100 E C 1.599 178.047 176.600 -0.253 0.000 0.992 100 E CA 1.233 57.506 56.400 -0.211 0.000 0.804 100 E CB -0.962 28.529 29.700 -0.349 0.000 0.741 100 E HN 0.461 nan 8.360 nan 0.000 0.458 101 Y N 0.079 120.366 120.300 -0.022 0.000 2.509 101 Y HA 0.031 4.581 4.550 0.000 0.000 0.293 101 Y C 1.850 177.709 175.900 -0.069 0.000 1.133 101 Y CA 0.579 58.670 58.100 -0.015 0.000 1.283 101 Y CB -0.516 37.968 38.460 0.040 0.000 1.001 101 Y HN 0.129 nan 8.280 nan 0.000 0.555 102 G N 0.825 109.626 108.800 0.001 0.000 2.622 102 G HA2 -0.363 3.597 3.960 0.000 0.000 0.307 102 G HA3 -0.363 3.597 3.960 0.000 0.000 0.307 102 G C 0.602 175.299 174.900 -0.338 0.000 1.226 102 G CA 0.616 45.623 45.100 -0.155 0.000 0.997 102 G HN 0.282 nan 8.290 nan 0.000 0.551 103 L N 1.439 122.372 121.223 -0.485 0.000 2.700 103 L HA 0.378 4.719 4.340 0.000 0.000 0.234 103 L C 1.684 178.267 176.870 -0.479 0.000 1.156 103 L CA 0.506 54.824 54.840 -0.871 0.000 0.946 103 L CB 0.279 41.833 42.059 -0.843 0.000 1.216 103 L HN 0.524 nan 8.230 nan 0.000 0.493 104 S N -0.511 115.057 115.700 -0.219 0.000 2.584 104 S HA 0.115 4.585 4.470 0.000 0.000 0.270 104 S C 0.477 175.054 174.600 -0.038 0.000 1.346 104 S CA -0.127 57.976 58.200 -0.162 0.000 1.018 104 S CB 0.520 63.739 63.200 0.030 0.000 0.899 104 S HN 0.213 nan 8.310 nan 0.000 0.542 105 F N 1.298 121.368 119.950 0.199 0.000 2.653 105 F HA 0.436 4.963 4.527 0.000 0.000 0.304 105 F C 1.343 177.180 175.800 0.061 0.000 1.092 105 F CA -0.407 57.670 58.000 0.129 0.000 1.279 105 F CB -0.283 38.759 39.000 0.070 0.000 1.044 105 F HN 0.609 nan 8.300 nan 0.000 0.564 106 A N 0.724 123.667 122.820 0.206 0.000 3.282 106 A HA 0.743 5.063 4.320 0.000 0.000 0.287 106 A C 0.489 178.125 177.584 0.088 0.000 1.366 106 A CA -0.123 52.000 52.037 0.144 0.000 1.069 106 A CB -1.037 18.050 19.000 0.145 0.000 1.109 106 A HN 0.090 nan 8.150 nan 0.000 0.638 107 A N 1.032 123.817 122.820 -0.059 0.000 2.317 107 A HA 0.749 5.069 4.320 0.000 0.000 0.327 107 A C -2.678 174.777 177.584 -0.215 0.000 1.178 107 A CA -1.733 50.060 52.037 -0.407 0.000 0.817 107 A CB 0.228 18.833 19.000 -0.658 0.000 1.189 107 A HN 0.340 nan 8.150 nan 0.000 0.489 108 P HA 0.002 nan 4.420 nan 0.000 0.265 108 P C 1.006 178.271 177.300 -0.058 0.000 1.187 108 P CA -0.209 62.859 63.100 -0.053 0.000 0.766 108 P CB 0.466 32.169 31.700 0.006 0.000 0.820 109 L N 4.086 125.300 121.223 -0.016 0.000 2.043 109 L HA -0.219 4.121 4.340 0.000 0.000 0.212 109 L C 1.681 178.543 176.870 -0.014 0.000 1.075 109 L CA 2.018 56.851 54.840 -0.012 0.000 0.752 109 L CB -0.502 41.566 42.059 0.016 0.000 0.891 109 L HN 0.316 nan 8.230 nan 0.000 0.432 110 K N -0.545 119.878 120.400 0.037 0.000 2.487 110 K HA 0.028 4.348 4.320 0.000 0.000 0.192 110 K C 0.068 176.723 176.600 0.091 0.000 1.027 110 K CA 0.526 56.887 56.287 0.123 0.000 1.054 110 K CB 0.085 32.690 32.500 0.175 0.000 0.824 110 K HN 0.455 nan 8.250 nan 0.000 0.510 111 E N -0.489 119.706 120.200 -0.009 0.000 4.017 111 E HA 0.165 4.515 4.350 0.000 0.000 0.205 111 E C 0.240 176.763 176.600 -0.128 0.000 1.054 111 E CA -0.235 56.150 56.400 -0.024 0.000 1.398 111 E CB 1.377 31.103 29.700 0.043 0.000 1.164 111 E HN 0.311 nan 8.360 nan 0.000 0.445 112 G N 0.087 108.801 108.800 -0.143 0.000 2.797 112 G HA2 -0.234 3.726 3.960 0.000 0.000 0.195 112 G HA3 -0.234 3.726 3.960 0.000 0.000 0.195 112 G C 1.119 176.007 174.900 -0.021 0.000 1.026 112 G CA -0.128 44.908 45.100 -0.108 0.000 0.759 112 G HN 0.414 nan 8.290 nan 0.000 0.475 113 G N 1.135 109.894 108.800 -0.068 0.000 2.459 113 G HA2 -0.073 3.887 3.960 0.000 0.000 0.217 113 G HA3 -0.073 3.887 3.960 0.000 0.000 0.217 113 G C 1.853 176.741 174.900 -0.019 0.000 1.183 113 G CA 1.329 46.409 45.100 -0.034 0.000 0.776 113 G HN 0.596 nan 8.290 nan 0.000 0.552 114 L N -1.196 120.000 121.223 -0.046 0.000 2.079 114 L HA -0.099 4.241 4.340 0.000 0.000 0.210 114 L C 2.606 179.481 176.870 0.007 0.000 1.081 114 L CA 1.439 56.252 54.840 -0.045 0.000 0.752 114 L CB -0.281 41.713 42.059 -0.108 0.000 0.896 114 L HN 0.536 nan 8.230 nan 0.000 0.433 115 W N 0.429 121.652 121.300 -0.128 0.000 2.358 115 W HA -0.209 4.451 4.660 0.000 0.000 0.303 115 W C 2.240 178.773 176.519 0.024 0.000 1.208 115 W CA 1.265 58.611 57.345 0.002 0.000 1.274 115 W CB -0.095 29.322 29.460 -0.071 0.000 1.138 115 W HN -0.031 nan 8.180 nan 0.000 0.515 116 L N 0.182 121.500 121.223 0.159 0.000 2.141 116 L HA -0.219 4.121 4.340 0.000 0.000 0.209 116 L C 2.330 179.066 176.870 -0.223 0.000 1.094 116 L CA 1.178 55.968 54.840 -0.083 0.000 0.763 116 L CB -0.623 41.424 42.059 -0.021 0.000 0.908 116 L HN 0.066 nan 8.230 nan 0.000 0.437 117 I N -0.520 119.935 120.570 -0.191 0.000 2.233 117 I HA -0.238 3.932 4.170 0.000 0.000 0.243 117 I C 2.781 178.681 176.117 -0.363 0.000 1.093 117 I CA 1.042 62.154 61.300 -0.314 0.000 1.380 117 I CB -0.420 37.442 38.000 -0.231 0.000 1.067 117 I HN 0.177 nan 8.210 nan 0.000 0.413 118 A N 0.355 123.081 122.820 -0.157 0.000 1.902 118 A HA -0.204 4.117 4.320 0.000 0.000 0.217 118 A C 2.487 180.121 177.584 0.085 0.000 1.181 118 A CA 2.271 54.308 52.037 -0.000 0.000 0.623 118 A CB -0.773 18.142 19.000 -0.143 0.000 0.818 118 A HN 0.393 nan 8.150 nan 0.000 0.443 119 S N -0.986 114.631 115.700 -0.137 0.000 2.368 119 S HA -0.149 4.321 4.470 0.000 0.000 0.225 119 S C 1.666 176.250 174.600 -0.027 0.000 1.030 119 S CA 1.465 59.574 58.200 -0.152 0.000 0.999 119 S CB -0.543 62.263 63.200 -0.657 0.000 0.844 119 S HN 0.624 nan 8.310 nan 0.000 0.459 120 F N 2.021 121.820 119.950 -0.251 0.000 2.095 120 F HA -0.122 4.405 4.527 0.000 0.000 0.298 120 F C 1.690 177.506 175.800 0.026 0.000 1.104 120 F CA 1.113 58.987 58.000 -0.211 0.000 1.232 120 F CB -0.528 38.231 39.000 -0.401 0.000 0.987 120 F HN 0.098 nan 8.300 nan 0.000 0.475 121 F N -0.020 119.894 119.950 -0.059 0.000 2.134 121 F HA -0.214 4.313 4.527 0.000 0.000 0.299 121 F C 2.679 178.399 175.800 -0.134 0.000 1.097 121 F CA 1.568 59.493 58.000 -0.125 0.000 1.264 121 F CB -1.334 37.684 39.000 0.030 0.000 1.001 121 F HN 0.072 nan 8.300 nan 0.000 0.479 122 M N -1.282 118.341 119.600 0.037 0.000 2.159 122 M HA -0.238 4.243 4.480 0.000 0.000 0.263 122 M C 2.303 178.626 176.300 0.038 0.000 1.063 122 M CA 1.636 56.773 55.300 -0.273 0.000 1.110 122 M CB -0.432 31.792 32.600 -0.627 0.000 1.374 122 M HN 0.154 nan 8.290 nan 0.000 0.411 123 F N 0.324 120.293 119.950 0.032 0.000 2.095 123 F HA -0.213 4.314 4.527 0.000 0.000 0.298 123 F C 1.836 177.730 175.800 0.157 0.000 1.104 123 F CA 1.904 60.022 58.000 0.197 0.000 1.232 123 F CB -0.477 38.530 39.000 0.012 0.000 0.987 123 F HN -0.084 nan 8.300 nan 0.000 0.475 124 V N 0.457 120.485 119.914 0.190 0.000 2.307 124 V HA -0.274 3.846 4.120 0.000 0.000 0.245 124 V C 2.739 178.877 176.094 0.073 0.000 1.045 124 V CA 1.681 64.038 62.300 0.095 0.000 1.024 124 V CB -1.641 30.124 31.823 -0.097 0.000 0.651 124 V HN 0.478 nan 8.190 nan 0.000 0.449 125 A N -0.045 122.778 122.820 0.005 0.000 1.908 125 A HA -0.178 4.143 4.320 0.000 0.000 0.218 125 A C 2.383 179.938 177.584 -0.048 0.000 1.181 125 A CA 2.352 54.371 52.037 -0.030 0.000 0.627 125 A CB -0.694 18.227 19.000 -0.131 0.000 0.818 125 A HN 0.355 nan 8.150 nan 0.000 0.445 126 V N -2.693 117.101 119.914 -0.200 0.000 2.323 126 V HA -0.231 3.889 4.120 0.000 0.000 0.244 126 V C 2.227 178.173 176.094 -0.246 0.000 1.041 126 V CA 1.574 63.642 62.300 -0.386 0.000 1.025 126 V CB -1.023 30.181 31.823 -1.031 0.000 0.656 126 V HN 0.783 nan 8.190 nan 0.000 0.451 127 W N 0.972 122.159 121.300 -0.188 0.000 2.402 127 W HA -0.148 4.512 4.660 0.000 0.000 0.286 127 W C 2.912 179.482 176.519 0.085 0.000 1.221 127 W CA 1.445 58.722 57.345 -0.114 0.000 1.257 127 W CB -0.381 28.907 29.460 -0.287 0.000 1.120 127 W HN 0.353 nan 8.180 nan 0.000 0.551 128 S N -1.062 114.811 115.700 0.288 0.000 2.383 128 S HA -0.229 4.241 4.470 0.000 0.000 0.227 128 S C 1.675 176.412 174.600 0.228 0.000 1.026 128 S CA 0.837 59.179 58.200 0.237 0.000 0.981 128 S CB -1.224 62.086 63.200 0.185 0.000 0.818 128 S HN 0.478 nan 8.310 nan 0.000 0.472 129 W N 0.998 122.350 121.300 0.087 0.000 2.388 129 W HA -0.079 4.581 4.660 0.000 0.000 0.294 129 W C 1.937 178.563 176.519 0.179 0.000 1.212 129 W CA 1.011 58.406 57.345 0.084 0.000 1.271 129 W CB -0.496 28.992 29.460 0.047 0.000 1.126 129 W HN 0.500 nan 8.180 nan 0.000 0.535 130 W N 1.524 122.970 121.300 0.243 0.000 2.354 130 W HA -0.098 4.562 4.660 0.000 0.000 0.315 130 W C 2.520 179.070 176.519 0.051 0.000 1.206 130 W CA 3.370 60.808 57.345 0.156 0.000 1.290 130 W CB -0.945 28.395 29.460 -0.199 0.000 1.152 130 W HN -0.112 nan 8.180 nan 0.000 0.489 131 G N 0.375 109.286 108.800 0.186 0.000 2.475 131 G HA2 -0.359 3.601 3.960 0.000 0.000 0.220 131 G HA3 -0.359 3.601 3.960 0.000 0.000 0.220 131 G C 1.577 176.330 174.900 -0.245 0.000 1.125 131 G CA 1.183 46.247 45.100 -0.061 0.000 0.755 131 G HN 0.358 nan 8.290 nan 0.000 0.565 132 R N 0.301 120.649 120.500 -0.253 0.000 2.075 132 R HA -0.084 4.256 4.340 0.000 0.000 0.232 132 R C 2.905 178.915 176.300 -0.483 0.000 1.126 132 R CA 1.990 57.861 56.100 -0.381 0.000 0.963 132 R CB -0.537 29.439 30.300 -0.540 0.000 0.858 132 R HN 0.452 nan 8.270 nan 0.000 0.435 133 T N -2.123 112.111 114.554 -0.533 0.000 2.915 133 T HA -0.194 4.156 4.350 0.000 0.000 0.269 133 T C 1.740 176.143 174.700 -0.495 0.000 1.071 133 T CA 1.069 62.874 62.100 -0.491 0.000 1.132 133 T CB -0.441 68.200 68.868 -0.379 0.000 0.878 133 T HN 0.431 nan 8.240 nan 0.000 0.479 134 Y N 1.399 121.259 120.300 -0.733 0.000 2.243 134 Y HA 0.279 4.829 4.550 0.000 0.000 0.293 134 Y C 2.046 177.668 175.900 -0.464 0.000 1.124 134 Y CA 0.815 58.493 58.100 -0.702 0.000 1.159 134 Y CB -0.179 37.718 38.460 -0.939 0.000 1.008 134 Y HN 0.139 nan 8.280 nan 0.000 0.527 135 L N -0.319 120.749 121.223 -0.259 0.000 2.109 135 L HA -0.136 4.204 4.340 0.000 0.000 0.207 135 L C 2.391 179.049 176.870 -0.352 0.000 1.086 135 L CA 0.720 55.412 54.840 -0.247 0.000 0.760 135 L CB -0.385 41.574 42.059 -0.166 0.000 0.910 135 L HN 0.084 nan 8.230 nan 0.000 0.437 136 R N 0.203 120.460 120.500 -0.405 0.000 2.148 136 R HA -0.034 4.307 4.340 0.000 0.000 0.227 136 R C 2.180 178.266 176.300 -0.357 0.000 1.103 136 R CA 1.246 57.091 56.100 -0.425 0.000 0.983 136 R CB -0.618 29.430 30.300 -0.421 0.000 0.874 136 R HN 0.331 nan 8.270 nan 0.000 0.451 137 A N 0.897 123.490 122.820 -0.378 0.000 1.898 137 A HA -0.157 4.163 4.320 0.000 0.000 0.214 137 A C 2.195 179.582 177.584 -0.328 0.000 1.183 137 A CA 1.039 52.870 52.037 -0.344 0.000 0.622 137 A CB -0.358 18.403 19.000 -0.400 0.000 0.824 137 A HN 0.312 nan 8.150 nan 0.000 0.444 138 Q N -0.311 119.253 119.800 -0.393 0.000 2.084 138 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 138 Q C 2.052 177.922 176.000 -0.217 0.000 0.978 138 Q CA 1.660 57.275 55.803 -0.314 0.000 0.844 138 Q CB -0.367 28.176 28.738 -0.326 0.000 0.898 138 Q HN 0.579 nan 8.270 nan 0.000 0.426 139 A N 0.096 122.779 122.820 -0.229 0.000 2.125 139 A HA -0.087 4.233 4.320 0.000 0.000 0.219 139 A C 1.672 179.161 177.584 -0.159 0.000 1.156 139 A CA 0.970 52.894 52.037 -0.188 0.000 0.671 139 A CB -0.248 18.606 19.000 -0.243 0.000 0.794 139 A HN 0.462 nan 8.150 nan 0.000 0.459 140 L N -1.877 119.242 121.223 -0.174 0.000 2.693 140 L HA 0.279 4.619 4.340 0.000 0.000 0.235 140 L C 1.516 178.313 176.870 -0.122 0.000 1.127 140 L CA 0.420 55.176 54.840 -0.140 0.000 0.914 140 L CB 0.137 42.106 42.059 -0.150 0.000 1.193 140 L HN 0.490 nan 8.230 nan 0.000 0.502 141 G N 1.379 110.099 108.800 -0.133 0.000 2.160 141 G HA2 -0.287 3.673 3.960 0.000 0.000 0.251 141 G HA3 -0.287 3.673 3.960 0.000 0.000 0.251 141 G C 0.281 175.118 174.900 -0.106 0.000 1.008 141 G CA 0.719 45.753 45.100 -0.110 0.000 0.724 141 G HN 0.370 nan 8.290 nan 0.000 0.514 142 M N -0.310 119.211 119.600 -0.132 0.000 2.573 142 M HA 0.735 5.215 4.480 0.000 0.000 0.309 142 M C 1.042 177.281 176.300 -0.101 0.000 1.202 142 M CA -0.324 54.912 55.300 -0.107 0.000 0.975 142 M CB 0.857 33.388 32.600 -0.115 0.000 1.600 142 M HN 0.381 nan 8.290 nan 0.000 0.479 143 G N 1.140 109.938 108.800 -0.004 0.000 2.771 143 G HA2 0.093 4.053 3.960 0.000 0.000 0.242 143 G HA3 0.093 4.053 3.960 0.000 0.000 0.242 143 G C 0.243 175.140 174.900 -0.006 0.000 1.233 143 G CA -0.529 44.627 45.100 0.094 0.000 0.858 143 G HN 0.759 nan 8.290 nan 0.000 0.591 144 K N -0.104 120.215 120.400 -0.134 0.000 2.500 144 K HA 0.109 4.429 4.320 0.000 0.000 0.206 144 K C 1.440 177.806 176.600 -0.389 0.000 1.034 144 K CA -0.137 55.910 56.287 -0.399 0.000 1.179 144 K CB -0.080 32.055 32.500 -0.609 0.000 0.884 144 K HN 0.604 nan 8.250 nan 0.000 0.493 145 H N 0.571 119.568 119.070 -0.120 0.000 2.321 145 H HA -0.125 4.431 4.556 0.000 0.000 0.295 145 H C 1.697 176.981 175.328 -0.073 0.000 1.102 145 H CA 2.307 58.341 56.048 -0.023 0.000 1.266 145 H CB -0.538 29.205 29.762 -0.031 0.000 1.363 145 H HN 0.106 nan 8.280 nan 0.000 0.492 146 T N 0.131 114.675 114.554 -0.017 0.000 2.788 146 T HA -0.133 4.217 4.350 0.000 0.000 0.268 146 T C 2.328 176.996 174.700 -0.052 0.000 1.044 146 T CA 1.203 63.270 62.100 -0.056 0.000 1.139 146 T CB -0.461 68.334 68.868 -0.121 0.000 0.867 146 T HN 0.541 nan 8.240 nan 0.000 0.454 147 A N 0.447 123.128 122.820 -0.231 0.000 1.897 147 A HA -0.016 4.305 4.320 0.000 0.000 0.215 147 A C 2.101 179.776 177.584 0.152 0.000 1.181 147 A CA 0.935 52.815 52.037 -0.263 0.000 0.620 147 A CB -1.030 17.529 19.000 -0.735 0.000 0.821 147 A HN 0.718 nan 8.150 nan 0.000 0.443 148 W N -0.384 121.046 121.300 0.215 0.000 2.381 148 W HA 0.010 4.670 4.660 0.000 0.000 0.301 148 W C 2.713 179.283 176.519 0.086 0.000 1.205 148 W CA 0.574 58.011 57.345 0.152 0.000 1.285 148 W CB -0.039 29.421 29.460 0.000 0.000 1.133 148 W HN 0.378 nan 8.180 nan 0.000 0.521 149 A N 0.023 122.996 122.820 0.255 0.000 1.969 149 A HA -0.202 4.118 4.320 0.000 0.000 0.218 149 A C 1.750 179.481 177.584 0.246 0.000 1.169 149 A CA 1.144 53.263 52.037 0.138 0.000 0.635 149 A CB -1.066 17.965 19.000 0.053 0.000 0.810 149 A HN 0.336 nan 8.150 nan 0.000 0.445 150 F N 0.330 120.350 119.950 0.117 0.000 2.134 150 F HA -0.108 4.419 4.527 0.000 0.000 0.299 150 F C 1.748 177.627 175.800 0.132 0.000 1.097 150 F CA 1.162 59.234 58.000 0.121 0.000 1.264 150 F CB -0.759 38.342 39.000 0.168 0.000 1.001 150 F HN 0.190 nan 8.300 nan 0.000 0.479 151 L N -0.121 121.243 121.223 0.236 0.000 2.127 151 L HA -0.195 4.145 4.340 0.000 0.000 0.211 151 L C 2.726 179.618 176.870 0.036 0.000 1.089 151 L CA 1.988 56.819 54.840 -0.016 0.000 0.757 151 L CB -1.305 40.859 42.059 0.175 0.000 0.899 151 L HN 0.247 nan 8.230 nan 0.000 0.434 152 S N -1.397 114.375 115.700 0.119 0.000 2.382 152 S HA -0.140 4.330 4.470 0.000 0.000 0.228 152 S C 2.096 176.817 174.600 0.201 0.000 1.027 152 S CA 1.104 59.390 58.200 0.143 0.000 0.991 152 S CB -0.201 63.057 63.200 0.095 0.000 0.823 152 S HN 0.594 nan 8.310 nan 0.000 0.469 153 A N 1.151 124.068 122.820 0.161 0.000 1.897 153 A HA 0.135 4.455 4.320 0.000 0.000 0.215 153 A C 2.045 179.674 177.584 0.076 0.000 1.181 153 A CA 1.041 53.165 52.037 0.145 0.000 0.620 153 A CB -0.636 18.482 19.000 0.196 0.000 0.821 153 A HN 0.596 nan 8.150 nan 0.000 0.443 154 I N -1.306 119.205 120.570 -0.099 0.000 2.361 154 I HA -0.291 3.879 4.170 0.000 0.000 0.251 154 I C 2.452 178.687 176.117 0.197 0.000 1.133 154 I CA 1.279 62.475 61.300 -0.173 0.000 1.413 154 I CB -0.330 37.251 38.000 -0.699 0.000 1.073 154 I HN 0.746 nan 8.210 nan 0.000 0.424 155 W N 1.817 123.115 121.300 -0.004 0.000 2.311 155 W HA -0.340 4.320 4.660 0.000 0.000 0.326 155 W C 2.424 179.002 176.519 0.099 0.000 1.239 155 W CA 1.416 58.794 57.345 0.054 0.000 1.258 155 W CB -0.383 29.099 29.460 0.035 0.000 1.165 155 W HN 0.139 nan 8.180 nan 0.000 0.466 156 L N 1.015 122.229 121.223 -0.016 0.000 2.079 156 L HA -0.196 4.144 4.340 0.000 0.000 0.210 156 L C 2.243 179.092 176.870 -0.034 0.000 1.081 156 L CA 2.794 57.539 54.840 -0.159 0.000 0.752 156 L CB -1.531 40.528 42.059 -0.000 0.000 0.896 156 L HN 0.321 nan 8.230 nan 0.000 0.433 157 W N -0.521 120.708 121.300 -0.118 0.000 2.381 157 W HA -0.199 4.461 4.660 0.000 0.000 0.301 157 W C 2.177 178.663 176.519 -0.055 0.000 1.205 157 W CA 1.446 58.734 57.345 -0.094 0.000 1.285 157 W CB -0.167 29.220 29.460 -0.123 0.000 1.133 157 W HN 0.067 nan 8.180 nan 0.000 0.521 158 M N 0.320 119.872 119.600 -0.080 0.000 2.159 158 M HA -0.149 4.331 4.480 0.000 0.000 0.263 158 M C 1.832 178.059 176.300 -0.120 0.000 1.063 158 M CA 1.237 56.404 55.300 -0.222 0.000 1.110 158 M CB -1.393 31.273 32.600 0.109 0.000 1.374 158 M HN 0.007 nan 8.290 nan 0.000 0.411 159 V N 0.279 120.058 119.914 -0.226 0.000 2.323 159 V HA -0.230 3.890 4.120 0.000 0.000 0.244 159 V C 2.457 178.478 176.094 -0.122 0.000 1.041 159 V CA 1.214 63.357 62.300 -0.261 0.000 1.025 159 V CB -0.601 30.880 31.823 -0.570 0.000 0.656 159 V HN 0.367 nan 8.190 nan 0.000 0.451 160 L N 0.457 121.600 121.223 -0.133 0.000 2.012 160 L HA -0.089 4.251 4.340 0.000 0.000 0.210 160 L C 2.216 179.060 176.870 -0.042 0.000 1.073 160 L CA 1.932 56.723 54.840 -0.081 0.000 0.748 160 L CB -0.705 41.275 42.059 -0.131 0.000 0.891 160 L HN 0.492 nan 8.230 nan 0.000 0.431 161 G N -3.184 105.567 108.800 -0.083 0.000 3.192 161 G HA2 0.050 4.010 3.960 0.000 0.000 0.239 161 G HA3 0.050 4.010 3.960 0.000 0.000 0.239 161 G C 0.657 175.708 174.900 0.251 0.000 1.084 161 G CA -0.126 45.007 45.100 0.054 0.000 0.784 161 G HN 0.223 nan 8.290 nan 0.000 0.540 162 F N -0.296 119.669 119.950 0.026 0.000 1.901 162 F HA 0.366 4.893 4.527 0.000 0.000 0.239 162 F C 2.086 177.985 175.800 0.165 0.000 1.133 162 F CA 0.015 58.114 58.000 0.165 0.000 1.271 162 F CB -0.080 38.965 39.000 0.076 0.000 1.652 162 F HN -0.046 nan 8.300 nan 0.000 0.543 163 I N 0.993 121.711 120.570 0.248 0.000 2.127 163 I HA -0.302 3.868 4.170 0.000 0.000 0.241 163 I C 2.568 178.692 176.117 0.012 0.000 1.075 163 I CA 1.838 63.205 61.300 0.111 0.000 1.334 163 I CB -0.525 37.550 38.000 0.124 0.000 1.040 163 I HN 0.188 nan 8.210 nan 0.000 0.405 164 R N 0.746 121.261 120.500 0.026 0.000 2.066 164 R HA -0.132 4.208 4.340 0.000 0.000 0.232 164 R C -0.394 175.923 176.300 0.028 0.000 1.131 164 R CA 1.664 57.786 56.100 0.037 0.000 0.955 164 R CB -1.084 29.266 30.300 0.083 0.000 0.851 164 R HN 0.208 nan 8.270 nan 0.000 0.432 165 P HA -0.142 nan 4.420 nan 0.000 0.219 165 P C 0.973 178.148 177.300 -0.209 0.000 1.146 165 P CA 1.265 64.376 63.100 0.018 0.000 0.808 165 P CB 0.028 31.860 31.700 0.220 0.000 0.779 166 I N -1.454 118.965 120.570 -0.251 0.000 2.193 166 I HA -0.192 3.979 4.170 0.000 0.000 0.240 166 I C 2.173 178.149 176.117 -0.235 0.000 1.084 166 I CA 1.266 62.344 61.300 -0.370 0.000 1.365 166 I CB -0.561 37.221 38.000 -0.364 0.000 1.064 166 I HN -0.114 nan 8.210 nan 0.000 0.410 167 L N -0.264 120.880 121.223 -0.132 0.000 2.131 167 L HA -0.215 4.125 4.340 0.000 0.000 0.210 167 L C 2.555 179.373 176.870 -0.087 0.000 1.092 167 L CA 0.926 55.715 54.840 -0.084 0.000 0.759 167 L CB -0.449 41.589 42.059 -0.034 0.000 0.903 167 L HN 0.318 nan 8.230 nan 0.000 0.435 168 M N -0.897 118.651 119.600 -0.086 0.000 2.349 168 M HA 0.046 4.527 4.480 0.000 0.000 0.266 168 M C 1.725 177.950 176.300 -0.125 0.000 1.076 168 M CA 1.334 56.589 55.300 -0.075 0.000 1.126 168 M CB -0.898 31.684 32.600 -0.030 0.000 1.392 168 M HN 0.444 nan 8.290 nan 0.000 0.440 169 G N 0.828 109.508 108.800 -0.200 0.000 2.179 169 G HA2 -0.181 3.779 3.960 0.000 0.000 0.220 169 G HA3 -0.181 3.779 3.960 0.000 0.000 0.220 169 G C 0.107 174.812 174.900 -0.324 0.000 0.990 169 G CA 0.367 45.317 45.100 -0.251 0.000 0.646 169 G HN 0.658 nan 8.290 nan 0.000 0.517 170 S N -1.906 113.593 115.700 -0.335 0.000 2.533 170 S HA 0.523 4.993 4.470 0.000 0.000 0.271 170 S C 0.304 174.741 174.600 -0.271 0.000 1.143 170 S CA -0.251 57.744 58.200 -0.342 0.000 0.891 170 S CB 0.731 63.836 63.200 -0.159 0.000 1.105 170 S HN 0.369 nan 8.310 nan 0.000 0.468 171 W N 1.545 122.801 121.300 -0.072 0.000 2.525 171 W HA -0.057 4.603 4.660 0.000 0.000 0.259 171 W C 2.502 178.879 176.519 -0.237 0.000 1.253 171 W CA 0.646 57.919 57.345 -0.119 0.000 1.262 171 W CB -0.102 29.299 29.460 -0.098 0.000 1.122 171 W HN 0.921 nan 8.180 nan 0.000 0.607 172 S N -0.128 115.590 115.700 0.030 0.000 2.442 172 S HA -0.181 4.289 4.470 0.000 0.000 0.236 172 S C 1.405 176.040 174.600 0.057 0.000 1.007 172 S CA 1.071 59.260 58.200 -0.019 0.000 0.965 172 S CB -0.282 62.923 63.200 0.009 0.000 0.773 172 S HN 0.235 nan 8.310 nan 0.000 0.504 173 E N 1.750 122.014 120.200 0.107 0.000 2.347 173 E HA 0.274 4.625 4.350 0.000 0.000 0.196 173 E C 1.128 177.947 176.600 0.364 0.000 1.008 173 E CA 0.527 57.070 56.400 0.239 0.000 0.852 173 E CB -0.409 29.402 29.700 0.185 0.000 0.783 173 E HN 0.716 nan 8.360 nan 0.000 0.505 174 A N 0.831 123.754 122.820 0.171 0.000 2.310 174 A HA 0.271 4.591 4.320 0.000 0.000 0.260 174 A C 0.375 177.827 177.584 -0.219 0.000 1.112 174 A CA -0.416 51.660 52.037 0.066 0.000 0.804 174 A CB 0.516 19.608 19.000 0.153 0.000 1.081 174 A HN -0.041 nan 8.150 nan 0.000 0.499 175 V N 2.285 121.900 119.914 -0.498 0.000 2.498 175 V HA 0.334 4.455 4.120 0.000 0.000 0.279 175 V C -1.914 173.937 176.094 -0.405 0.000 1.048 175 V CA -1.151 60.607 62.300 -0.903 0.000 0.967 175 V CB 0.954 32.245 31.823 -0.886 0.000 0.988 175 V HN 0.843 nan 8.190 nan 0.000 0.473 176 P HA 0.280 nan 4.420 nan 0.000 0.278 176 P C -0.987 176.336 177.300 0.038 0.000 1.238 176 P CA -0.448 62.612 63.100 -0.068 0.000 0.794 176 P CB 0.700 32.434 31.700 0.056 0.000 0.955 177 F N 1.645 121.809 119.950 0.356 0.000 2.462 177 F HA 0.525 5.052 4.527 0.000 0.000 0.354 177 F C 1.339 177.316 175.800 0.295 0.000 1.192 177 F CA 0.298 58.455 58.000 0.262 0.000 1.173 177 F CB -0.073 39.039 39.000 0.187 0.000 1.402 177 F HN 0.387 nan 8.300 nan 0.000 0.595 178 G N 2.521 111.560 108.800 0.398 0.000 2.733 178 G HA2 0.312 4.272 3.960 0.000 0.000 0.297 178 G HA3 0.312 4.272 3.960 0.000 0.000 0.297 178 G C 0.170 175.207 174.900 0.228 0.000 1.452 178 G CA -0.688 44.640 45.100 0.380 0.000 0.940 178 G HN 0.574 nan 8.290 nan 0.000 0.547 179 I N 1.058 121.711 120.570 0.139 0.000 2.113 179 I HA -0.042 4.128 4.170 0.000 0.000 0.238 179 I C 1.659 177.931 176.117 0.259 0.000 1.070 179 I CA 1.448 62.770 61.300 0.036 0.000 1.332 179 I CB -0.074 37.763 38.000 -0.273 0.000 1.044 179 I HN 0.433 nan 8.210 nan 0.000 0.402 180 F N 1.715 121.637 119.950 -0.045 0.000 2.234 180 F HA -0.088 4.439 4.527 0.000 0.000 0.296 180 F C 3.103 178.938 175.800 0.059 0.000 1.089 180 F CA 1.110 59.066 58.000 -0.074 0.000 1.343 180 F CB -1.393 37.453 39.000 -0.256 0.000 1.040 180 F HN 0.308 nan 8.300 nan 0.000 0.498 181 S N -0.019 115.872 115.700 0.318 0.000 2.382 181 S HA -0.253 4.217 4.470 0.000 0.000 0.228 181 S C 2.066 176.867 174.600 0.335 0.000 1.027 181 S CA 1.541 59.912 58.200 0.285 0.000 0.991 181 S CB -1.240 62.119 63.200 0.266 0.000 0.823 181 S HN 0.625 nan 8.310 nan 0.000 0.469 182 H N 2.022 121.214 119.070 0.203 0.000 2.495 182 H HA 0.184 4.740 4.556 0.000 0.000 0.287 182 H C 1.811 177.285 175.328 0.244 0.000 1.033 182 H CA 1.079 57.246 56.048 0.198 0.000 1.307 182 H CB -0.574 29.260 29.762 0.120 0.000 1.401 182 H HN 0.430 nan 8.280 nan 0.000 0.555 183 L N 0.421 121.644 121.223 -0.001 0.000 2.095 183 L HA -0.098 4.242 4.340 0.000 0.000 0.204 183 L C 2.256 179.147 176.870 0.036 0.000 1.080 183 L CA 1.150 55.933 54.840 -0.095 0.000 0.759 183 L CB -0.259 41.773 42.059 -0.045 0.000 0.914 183 L HN 0.133 nan 8.230 nan 0.000 0.439 184 D N -0.541 119.919 120.400 0.100 0.000 2.097 184 D HA -0.248 4.392 4.640 0.000 0.000 0.195 184 D C 1.718 178.114 176.300 0.161 0.000 0.989 184 D CA 1.173 55.234 54.000 0.100 0.000 0.827 184 D CB -0.295 40.573 40.800 0.112 0.000 0.966 184 D HN 0.386 nan 8.370 nan 0.000 0.456 185 W N 1.722 123.058 121.300 0.061 0.000 2.338 185 W HA -0.237 4.423 4.660 0.000 0.000 0.304 185 W C 2.207 178.791 176.519 0.108 0.000 1.212 185 W CA 2.214 59.616 57.345 0.095 0.000 1.264 185 W CB -0.353 29.172 29.460 0.110 0.000 1.142 185 W HN -0.139 nan 8.180 nan 0.000 0.512 186 T N 0.136 114.894 114.554 0.340 0.000 2.746 186 T HA -0.280 4.070 4.350 0.000 0.000 0.267 186 T C 1.393 176.113 174.700 0.033 0.000 1.039 186 T CA 1.801 64.002 62.100 0.168 0.000 1.142 186 T CB -0.628 68.316 68.868 0.126 0.000 0.866 186 T HN 0.302 nan 8.240 nan 0.000 0.444 187 N N 1.463 120.179 118.700 0.026 0.000 2.106 187 N HA -0.078 4.662 4.740 0.000 0.000 0.188 187 N C 1.826 177.323 175.510 -0.022 0.000 1.029 187 N CA 1.289 54.340 53.050 0.002 0.000 0.848 187 N CB -0.346 38.139 38.487 -0.003 0.000 1.007 187 N HN 0.322 nan 8.380 nan 0.000 0.423 188 N N -0.890 117.780 118.700 -0.050 0.000 2.104 188 N HA -0.207 4.533 4.740 0.000 0.000 0.190 188 N C 1.638 177.058 175.510 -0.150 0.000 1.024 188 N CA 1.006 53.996 53.050 -0.100 0.000 0.853 188 N CB -0.281 38.139 38.487 -0.111 0.000 1.008 188 N HN 0.276 nan 8.380 nan 0.000 0.424 189 F N 1.483 121.191 119.950 -0.404 0.000 2.095 189 F HA -0.202 4.325 4.527 0.000 0.000 0.298 189 F C 2.927 178.691 175.800 -0.061 0.000 1.104 189 F CA 1.656 59.426 58.000 -0.383 0.000 1.232 189 F CB -0.706 37.833 39.000 -0.769 0.000 0.987 189 F HN -0.032 nan 8.300 nan 0.000 0.475 190 S N 0.274 116.043 115.700 0.115 0.000 2.348 190 S HA -0.183 4.287 4.470 0.000 0.000 0.221 190 S C 2.150 176.772 174.600 0.036 0.000 1.033 190 S CA 1.673 59.925 58.200 0.087 0.000 1.010 190 S CB -0.611 62.611 63.200 0.036 0.000 0.891 190 S HN 0.415 nan 8.310 nan 0.000 0.442 191 L N 1.068 122.283 121.223 -0.014 0.000 2.012 191 L HA -0.103 4.237 4.340 0.000 0.000 0.210 191 L C 2.478 179.291 176.870 -0.095 0.000 1.073 191 L CA 1.245 56.062 54.840 -0.038 0.000 0.748 191 L CB -0.787 41.241 42.059 -0.051 0.000 0.891 191 L HN 0.218 nan 8.230 nan 0.000 0.431 192 V N -0.870 118.933 119.914 -0.185 0.000 2.568 192 V HA -0.289 3.832 4.120 0.000 0.000 0.253 192 V C 1.481 177.276 176.094 -0.499 0.000 1.072 192 V CA 1.754 63.844 62.300 -0.350 0.000 1.084 192 V CB -0.904 30.636 31.823 -0.472 0.000 0.676 192 V HN 0.503 nan 8.190 nan 0.000 0.469 193 H N -0.759 118.191 119.070 -0.201 0.000 2.505 193 H HA 0.444 5.000 4.556 0.000 0.000 0.289 193 H C 1.541 176.911 175.328 0.070 0.000 1.052 193 H CA 0.524 56.508 56.048 -0.108 0.000 1.156 193 H CB 0.290 29.971 29.762 -0.134 0.000 1.507 193 H HN 0.388 nan 8.280 nan 0.000 0.548 194 G N 1.408 110.274 108.800 0.110 0.000 2.136 194 G HA2 -0.344 3.616 3.960 0.000 0.000 0.242 194 G HA3 -0.344 3.616 3.960 0.000 0.000 0.242 194 G C -0.317 174.758 174.900 0.293 0.000 0.989 194 G CA 0.033 45.236 45.100 0.171 0.000 0.682 194 G HN 0.624 nan 8.290 nan 0.000 0.522 195 N N -1.609 117.240 118.700 0.248 0.000 3.925 195 N HA -0.137 4.603 4.740 0.000 0.000 0.278 195 N C 0.886 176.546 175.510 0.250 0.000 2.104 195 N CA 0.825 54.018 53.050 0.238 0.000 2.544 195 N CB -1.167 37.506 38.487 0.309 0.000 0.490 195 N HN 0.491 nan 8.380 nan 0.000 0.551 196 L N 2.244 123.497 121.223 0.051 0.000 2.450 196 L HA -0.123 4.218 4.340 0.000 0.000 0.224 196 L C 2.473 179.252 176.870 -0.152 0.000 1.149 196 L CA 0.931 55.677 54.840 -0.156 0.000 0.816 196 L CB -0.259 41.526 42.059 -0.457 0.000 0.932 196 L HN 0.569 nan 8.230 nan 0.000 0.449 197 R N 0.274 120.721 120.500 -0.087 0.000 2.200 197 R HA -0.210 4.130 4.340 0.000 0.000 0.234 197 R C 1.248 177.394 176.300 -0.256 0.000 1.127 197 R CA 1.574 57.581 56.100 -0.156 0.000 0.989 197 R CB -0.199 29.918 30.300 -0.304 0.000 0.869 197 R HN 0.362 nan 8.270 nan 0.000 0.459 198 Y N -0.123 120.251 120.300 0.123 0.000 2.457 198 Y HA 0.190 4.740 4.550 0.000 0.000 0.263 198 Y C 0.500 176.458 175.900 0.097 0.000 1.164 198 Y CA -0.410 57.810 58.100 0.202 0.000 1.274 198 Y CB -0.033 38.644 38.460 0.361 0.000 1.097 198 Y HN -0.023 nan 8.280 nan 0.000 0.523 199 N N 2.931 121.514 118.700 -0.195 0.000 2.406 199 N HA 0.057 4.797 4.740 0.000 0.000 0.251 199 N C -1.759 173.513 175.510 -0.398 0.000 1.069 199 N CA -2.160 50.340 53.050 -0.917 0.000 0.947 199 N CB 1.221 38.913 38.487 -1.325 0.000 1.111 199 N HN 0.019 nan 8.380 nan 0.000 0.497 200 P HA -0.144 nan 4.420 nan 0.000 0.218 200 P C 1.063 178.191 177.300 -0.287 0.000 1.148 200 P CA 1.227 64.203 63.100 -0.207 0.000 0.822 200 P CB 0.034 31.640 31.700 -0.155 0.000 0.784 201 F N -0.735 119.111 119.950 -0.174 0.000 2.259 201 F HA -0.104 4.423 4.527 0.000 0.000 0.298 201 F C 2.927 178.697 175.800 -0.049 0.000 1.088 201 F CA 1.138 59.097 58.000 -0.069 0.000 1.358 201 F CB -1.359 37.609 39.000 -0.052 0.000 1.040 201 F HN 0.089 nan 8.300 nan 0.000 0.505 202 H N -0.042 118.999 119.070 -0.049 0.000 2.353 202 H HA -0.106 4.450 4.556 0.000 0.000 0.300 202 H C 2.423 177.694 175.328 -0.096 0.000 1.090 202 H CA 1.393 57.394 56.048 -0.078 0.000 1.327 202 H CB -0.439 29.235 29.762 -0.147 0.000 1.383 202 H HN 0.333 nan 8.280 nan 0.000 0.508 203 G N 0.932 109.644 108.800 -0.147 0.000 2.422 203 G HA2 -0.200 3.760 3.960 0.000 0.000 0.218 203 G HA3 -0.200 3.760 3.960 0.000 0.000 0.218 203 G C 1.967 176.718 174.900 -0.249 0.000 1.146 203 G CA 0.612 45.581 45.100 -0.218 0.000 0.769 203 G HN 0.332 nan 8.290 nan 0.000 0.547 204 L N 0.307 121.424 121.223 -0.177 0.000 2.044 204 L HA -0.039 4.301 4.340 0.000 0.000 0.205 204 L C 3.122 179.882 176.870 -0.184 0.000 1.075 204 L CA 1.210 55.928 54.840 -0.203 0.000 0.747 204 L CB -0.412 41.646 42.059 -0.002 0.000 0.903 204 L HN 0.342 nan 8.230 nan 0.000 0.435 205 S N 0.237 115.945 115.700 0.014 0.000 2.374 205 S HA -0.225 4.245 4.470 0.000 0.000 0.227 205 S C 1.973 176.512 174.600 -0.100 0.000 1.037 205 S CA 1.489 59.746 58.200 0.094 0.000 1.024 205 S CB -0.295 62.944 63.200 0.065 0.000 0.861 205 S HN 0.307 nan 8.310 nan 0.000 0.456 206 I N 1.349 121.716 120.570 -0.339 0.000 2.226 206 I HA -0.163 4.007 4.170 0.000 0.000 0.245 206 I C 2.792 178.547 176.117 -0.603 0.000 1.100 206 I CA 1.053 62.020 61.300 -0.555 0.000 1.374 206 I CB -0.590 36.998 38.000 -0.686 0.000 1.057 206 I HN 0.397 nan 8.210 nan 0.000 0.413 207 A N 0.910 123.436 122.820 -0.489 0.000 1.908 207 A HA -0.216 4.104 4.320 0.000 0.000 0.218 207 A C 2.004 179.394 177.584 -0.323 0.000 1.181 207 A CA 1.705 53.481 52.037 -0.434 0.000 0.627 207 A CB -0.855 17.801 19.000 -0.573 0.000 0.818 207 A HN 0.341 nan 8.150 nan 0.000 0.445 208 F N -0.912 119.029 119.950 -0.016 0.000 2.206 208 F HA -0.002 4.525 4.527 0.000 0.000 0.298 208 F C 1.988 177.827 175.800 0.064 0.000 1.090 208 F CA 0.864 58.896 58.000 0.053 0.000 1.323 208 F CB -0.825 38.220 39.000 0.075 0.000 1.028 208 F HN 0.245 nan 8.300 nan 0.000 0.492 209 L N -0.992 120.322 121.223 0.153 0.000 2.046 209 L HA -0.224 4.116 4.340 0.000 0.000 0.208 209 L C 2.197 179.211 176.870 0.239 0.000 1.077 209 L CA 1.845 56.771 54.840 0.143 0.000 0.747 209 L CB -0.890 41.194 42.059 0.040 0.000 0.896 209 L HN 0.043 nan 8.230 nan 0.000 0.432 210 Y N 0.053 120.389 120.300 0.060 0.000 2.242 210 Y HA 0.043 4.593 4.550 0.000 0.000 0.291 210 Y C 2.562 178.503 175.900 0.068 0.000 1.137 210 Y CA 0.612 58.738 58.100 0.045 0.000 1.181 210 Y CB -1.527 36.936 38.460 0.004 0.000 0.989 210 Y HN 0.253 nan 8.280 nan 0.000 0.527 211 G N -1.038 107.915 108.800 0.255 0.000 2.422 211 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 211 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 211 G C 1.927 176.945 174.900 0.196 0.000 1.146 211 G CA 1.200 46.425 45.100 0.208 0.000 0.769 211 G HN 0.376 nan 8.290 nan 0.000 0.547 212 S N 1.002 116.833 115.700 0.218 0.000 2.382 212 S HA 0.013 4.484 4.470 0.000 0.000 0.228 212 S C 2.755 177.478 174.600 0.206 0.000 1.027 212 S CA 1.129 59.445 58.200 0.193 0.000 0.991 212 S CB -0.292 63.023 63.200 0.193 0.000 0.823 212 S HN 0.576 nan 8.310 nan 0.000 0.469 213 A N 1.370 124.309 122.820 0.199 0.000 1.929 213 A HA 0.031 4.351 4.320 0.000 0.000 0.216 213 A C 2.115 179.789 177.584 0.150 0.000 1.176 213 A CA 1.194 53.337 52.037 0.177 0.000 0.628 213 A CB -0.646 18.436 19.000 0.137 0.000 0.816 213 A HN 0.425 nan 8.150 nan 0.000 0.444 214 L N -0.780 120.517 121.223 0.124 0.000 2.017 214 L HA -0.117 4.223 4.340 0.000 0.000 0.208 214 L C 2.205 179.122 176.870 0.078 0.000 1.073 214 L CA 2.084 56.976 54.840 0.086 0.000 0.745 214 L CB -0.578 41.521 42.059 0.067 0.000 0.894 214 L HN 0.289 nan 8.230 nan 0.000 0.432 215 L N -1.421 119.848 121.223 0.078 0.000 2.027 215 L HA -0.155 4.185 4.340 0.000 0.000 0.206 215 L C 2.277 179.233 176.870 0.144 0.000 1.074 215 L CA 1.701 56.560 54.840 0.031 0.000 0.745 215 L CB -0.978 41.084 42.059 0.004 0.000 0.898 215 L HN 0.312 nan 8.230 nan 0.000 0.433 216 F N 0.037 120.024 119.950 0.062 0.000 2.293 216 F HA -0.036 4.491 4.527 0.000 0.000 0.300 216 F C 2.349 178.188 175.800 0.064 0.000 1.086 216 F CA 0.661 58.713 58.000 0.088 0.000 1.375 216 F CB -0.918 38.133 39.000 0.084 0.000 1.045 216 F HN 0.186 nan 8.300 nan 0.000 0.516 217 A N -0.246 122.723 122.820 0.249 0.000 1.898 217 A HA -0.189 4.131 4.320 0.000 0.000 0.216 217 A C 2.331 180.003 177.584 0.147 0.000 1.181 217 A CA 1.628 53.743 52.037 0.129 0.000 0.620 217 A CB -0.629 18.426 19.000 0.092 0.000 0.819 217 A HN 0.360 nan 8.150 nan 0.000 0.442 218 M N -1.874 117.821 119.600 0.157 0.000 2.086 218 M HA -0.141 4.339 4.480 0.000 0.000 0.261 218 M C 2.322 178.753 176.300 0.219 0.000 1.067 218 M CA 1.978 57.386 55.300 0.180 0.000 1.116 218 M CB -0.473 32.084 32.600 -0.071 0.000 1.348 218 M HN 0.670 nan 8.290 nan 0.000 0.407 219 H N 0.065 119.178 119.070 0.072 0.000 2.293 219 H HA -0.058 4.498 4.556 0.000 0.000 0.300 219 H C 1.965 177.380 175.328 0.145 0.000 1.082 219 H CA 2.127 58.220 56.048 0.075 0.000 1.308 219 H CB -0.793 28.982 29.762 0.022 0.000 1.375 219 H HN 0.315 nan 8.280 nan 0.000 0.495 220 G N 0.036 108.892 108.800 0.095 0.000 2.459 220 G HA2 -0.282 3.679 3.960 0.000 0.000 0.217 220 G HA3 -0.282 3.679 3.960 0.000 0.000 0.217 220 G C 1.968 176.813 174.900 -0.091 0.000 1.183 220 G CA 1.534 46.593 45.100 -0.068 0.000 0.776 220 G HN 0.639 nan 8.290 nan 0.000 0.552 221 A N -0.025 122.779 122.820 -0.028 0.000 1.940 221 A HA -0.028 4.292 4.320 0.000 0.000 0.219 221 A C 2.525 180.068 177.584 -0.068 0.000 1.176 221 A CA 2.508 54.512 52.037 -0.055 0.000 0.631 221 A CB -0.930 18.059 19.000 -0.019 0.000 0.814 221 A HN 0.325 nan 8.150 nan 0.000 0.446 222 T N 0.420 114.984 114.554 0.018 0.000 2.708 222 T HA -0.100 4.250 4.350 0.000 0.000 0.266 222 T C 1.809 176.497 174.700 -0.020 0.000 1.037 222 T CA 1.434 63.556 62.100 0.036 0.000 1.146 222 T CB -0.274 68.772 68.868 0.296 0.000 0.865 222 T HN 0.309 nan 8.240 nan 0.000 0.435 223 I N 1.290 121.821 120.570 -0.064 0.000 2.226 223 I HA -0.086 4.084 4.170 0.000 0.000 0.245 223 I C 2.336 178.400 176.117 -0.089 0.000 1.100 223 I CA 1.338 62.590 61.300 -0.079 0.000 1.374 223 I CB -1.278 36.621 38.000 -0.169 0.000 1.057 223 I HN 0.286 nan 8.210 nan 0.000 0.413 224 L N 0.487 121.633 121.223 -0.127 0.000 2.141 224 L HA -0.134 4.206 4.340 0.000 0.000 0.209 224 L C 2.754 179.536 176.870 -0.148 0.000 1.094 224 L CA 1.113 55.861 54.840 -0.152 0.000 0.763 224 L CB -0.769 41.180 42.059 -0.184 0.000 0.908 224 L HN 0.167 nan 8.230 nan 0.000 0.437 225 A N 0.237 122.975 122.820 -0.135 0.000 1.972 225 A HA -0.115 4.205 4.320 0.000 0.000 0.219 225 A C 1.952 179.487 177.584 -0.081 0.000 1.169 225 A CA 1.808 53.761 52.037 -0.140 0.000 0.635 225 A CB -0.538 18.342 19.000 -0.200 0.000 0.810 225 A HN 0.355 nan 8.150 nan 0.000 0.446 226 V N -2.066 117.836 119.914 -0.020 0.000 3.376 226 V HA 0.131 4.251 4.120 0.000 0.000 0.313 226 V C 1.535 177.645 176.094 0.026 0.000 1.393 226 V CA 0.849 63.217 62.300 0.114 0.000 1.125 226 V CB -0.679 31.285 31.823 0.235 0.000 1.037 226 V HN 0.519 nan 8.190 nan 0.000 0.440 227 S N 2.278 117.930 115.700 -0.080 0.000 2.469 227 S HA -0.219 4.251 4.470 0.000 0.000 0.238 227 S C 1.916 176.428 174.600 -0.147 0.000 0.998 227 S CA 1.257 59.406 58.200 -0.086 0.000 0.957 227 S CB -0.718 62.420 63.200 -0.103 0.000 0.764 227 S HN 0.877 nan 8.310 nan 0.000 0.514 228 R N 0.215 120.524 120.500 -0.319 0.000 2.328 228 R HA 0.091 4.431 4.340 0.000 0.000 0.207 228 R C 0.097 176.039 176.300 -0.597 0.000 1.056 228 R CA 0.828 56.640 56.100 -0.479 0.000 1.016 228 R CB -0.603 29.308 30.300 -0.649 0.000 0.872 228 R HN 0.537 nan 8.270 nan 0.000 0.471 229 F N 0.165 120.112 119.950 -0.006 0.000 2.764 229 F HA 0.458 4.985 4.527 0.000 0.000 0.310 229 F C 1.037 176.838 175.800 0.000 0.000 1.124 229 F CA -0.487 57.512 58.000 -0.002 0.000 1.252 229 F CB 1.149 40.146 39.000 -0.005 0.000 1.010 229 F HN 0.170 nan 8.300 nan 0.000 0.518 230 G N 0.602 109.455 108.800 0.088 0.000 2.176 230 G HA2 -0.275 3.685 3.960 0.000 0.000 0.252 230 G HA3 -0.275 3.685 3.960 0.000 0.000 0.252 230 G C 1.413 176.358 174.900 0.074 0.000 1.024 230 G CA 0.228 45.368 45.100 0.066 0.000 0.755 230 G HN 0.712 nan 8.290 nan 0.000 0.507 231 G N 0.210 109.063 108.800 0.087 0.000 2.450 231 G HA2 -0.032 3.928 3.960 0.000 0.000 0.220 231 G HA3 -0.032 3.928 3.960 0.000 0.000 0.220 231 G C 1.291 176.227 174.900 0.060 0.000 1.130 231 G CA 1.515 46.666 45.100 0.086 0.000 0.760 231 G HN 0.678 nan 8.290 nan 0.000 0.557 232 E N 0.310 120.526 120.200 0.027 0.000 2.338 232 E HA 0.001 4.351 4.350 0.000 0.000 0.197 232 E C 1.413 178.027 176.600 0.024 0.000 1.007 232 E CA 0.251 56.661 56.400 0.017 0.000 0.849 232 E CB -0.071 29.620 29.700 -0.015 0.000 0.774 232 E HN 0.290 nan 8.360 nan 0.000 0.506 233 R N 1.692 122.208 120.500 0.026 0.000 4.164 233 R HA 0.104 4.444 4.340 0.000 0.000 0.195 233 R C 0.492 176.808 176.300 0.026 0.000 1.712 233 R CA -0.008 56.102 56.100 0.017 0.000 1.457 233 R CB -0.187 30.123 30.300 0.017 0.000 1.387 233 R HN 0.285 nan 8.270 nan 0.000 0.785 234 E N 0.838 121.055 120.200 0.028 0.000 2.085 234 E HA -0.237 4.113 4.350 0.000 0.000 0.194 234 E C 1.395 177.995 176.600 -0.001 0.000 0.994 234 E CA 1.138 57.562 56.400 0.040 0.000 0.801 234 E CB 0.002 29.730 29.700 0.045 0.000 0.743 234 E HN 0.486 nan 8.360 nan 0.000 0.453 235 L N 0.666 121.868 121.223 -0.035 0.000 2.017 235 L HA -0.215 4.125 4.340 0.000 0.000 0.208 235 L C 2.602 179.462 176.870 -0.016 0.000 1.073 235 L CA 1.246 56.060 54.840 -0.043 0.000 0.745 235 L CB -0.278 41.747 42.059 -0.056 0.000 0.894 235 L HN 0.101 nan 8.230 nan 0.000 0.432 236 E N -0.354 119.843 120.200 -0.006 0.000 2.152 236 E HA -0.189 4.161 4.350 0.000 0.000 0.192 236 E C 2.219 178.827 176.600 0.014 0.000 0.983 236 E CA 0.906 57.308 56.400 0.003 0.000 0.818 236 E CB 0.083 29.786 29.700 0.006 0.000 0.758 236 E HN 0.309 nan 8.360 nan 0.000 0.467 237 Q N -0.322 119.493 119.800 0.024 0.000 2.297 237 Q HA -0.048 4.292 4.340 0.000 0.000 0.204 237 Q C 2.178 178.199 176.000 0.034 0.000 0.962 237 Q CA 0.782 56.606 55.803 0.035 0.000 0.879 237 Q CB 0.114 28.885 28.738 0.054 0.000 0.947 237 Q HN 0.451 nan 8.270 nan 0.000 0.462 238 I N 0.120 120.707 120.570 0.028 0.000 2.286 238 I HA -0.181 3.989 4.170 0.000 0.000 0.245 238 I C 2.196 178.323 176.117 0.017 0.000 1.104 238 I CA 0.910 62.226 61.300 0.027 0.000 1.397 238 I CB -0.232 37.776 38.000 0.014 0.000 1.072 238 I HN 0.022 nan 8.210 nan 0.000 0.417 239 A N -0.786 122.040 122.820 0.009 0.000 2.067 239 A HA -0.121 4.199 4.320 0.000 0.000 0.217 239 A C 0.636 178.225 177.584 0.009 0.000 1.156 239 A CA 1.221 53.262 52.037 0.006 0.000 0.683 239 A CB -0.056 18.944 19.000 0.000 0.000 0.808 239 A HN 0.398 nan 8.150 nan 0.000 0.455 240 D N -1.033 119.375 120.400 0.012 0.000 2.445 240 D HA 0.100 4.740 4.640 0.000 0.000 0.236 240 D C -0.472 175.837 176.300 0.015 0.000 1.315 240 D CA -0.442 53.565 54.000 0.012 0.000 0.924 240 D CB 0.111 40.917 40.800 0.010 0.000 1.447 240 D HN 0.193 nan 8.370 nan 0.000 0.532 241 R N 1.479 121.989 120.500 0.015 0.000 2.523 241 R HA 0.330 4.670 4.340 0.000 0.000 0.281 241 R C 0.206 176.509 176.300 0.006 0.000 0.969 241 R CA 0.653 56.762 56.100 0.015 0.000 1.093 241 R CB 0.279 30.587 30.300 0.013 0.000 0.917 241 R HN 0.431 nan 8.270 nan 0.000 0.408 242 G N 0.764 109.567 108.800 0.005 0.000 2.820 242 G HA2 0.082 4.042 3.960 0.000 0.000 0.291 242 G HA3 0.082 4.042 3.960 0.000 0.000 0.291 242 G C 0.528 175.399 174.900 -0.049 0.000 1.323 242 G CA -0.256 44.839 45.100 -0.008 0.000 1.055 242 G HN 0.585 nan 8.290 nan 0.000 0.520 243 T N -0.569 113.924 114.554 -0.102 0.000 2.929 243 T HA -0.036 4.314 4.350 0.000 0.000 0.271 243 T C 2.515 177.043 174.700 -0.286 0.000 1.085 243 T CA 2.285 64.248 62.100 -0.229 0.000 1.125 243 T CB -0.505 68.149 68.868 -0.358 0.000 0.874 243 T HN 0.643 nan 8.240 nan 0.000 0.494 244 A N 1.105 123.841 122.820 -0.140 0.000 1.858 244 A HA 0.194 4.515 4.320 0.000 0.000 0.216 244 A C 2.743 180.328 177.584 0.003 0.000 1.190 244 A CA 1.987 54.027 52.037 0.006 0.000 0.617 244 A CB -1.383 17.713 19.000 0.160 0.000 0.827 244 A HN 0.649 nan 8.150 nan 0.000 0.443 245 A N -0.439 122.387 122.820 0.011 0.000 1.972 245 A HA -0.145 4.175 4.320 0.000 0.000 0.219 245 A C 1.921 179.502 177.584 -0.005 0.000 1.169 245 A CA 1.614 53.668 52.037 0.028 0.000 0.635 245 A CB -0.456 18.567 19.000 0.038 0.000 0.810 245 A HN 0.670 nan 8.150 nan 0.000 0.446 246 E N -0.470 119.697 120.200 -0.056 0.000 2.046 246 E HA -0.151 4.199 4.350 0.000 0.000 0.190 246 E C 2.319 178.840 176.600 -0.132 0.000 0.982 246 E CA 1.012 57.361 56.400 -0.084 0.000 0.800 246 E CB -0.167 29.472 29.700 -0.101 0.000 0.756 246 E HN 0.539 nan 8.360 nan 0.000 0.449 247 R N 0.744 121.142 120.500 -0.170 0.000 2.096 247 R HA -0.098 4.242 4.340 0.000 0.000 0.235 247 R C 2.338 178.570 176.300 -0.115 0.000 1.127 247 R CA 1.200 57.183 56.100 -0.194 0.000 0.968 247 R CB -0.309 29.859 30.300 -0.219 0.000 0.861 247 R HN 0.110 nan 8.270 nan 0.000 0.440 248 A N 1.116 123.921 122.820 -0.024 0.000 1.877 248 A HA -0.106 4.215 4.320 0.000 0.000 0.216 248 A C 2.359 180.037 177.584 0.157 0.000 1.186 248 A CA 1.685 53.770 52.037 0.080 0.000 0.620 248 A CB -0.732 18.347 19.000 0.131 0.000 0.822 248 A HN 0.392 nan 8.150 nan 0.000 0.443 249 A N -0.926 121.938 122.820 0.074 0.000 1.898 249 A HA 0.037 4.358 4.320 0.000 0.000 0.216 249 A C 2.001 179.557 177.584 -0.046 0.000 1.181 249 A CA 1.622 53.700 52.037 0.070 0.000 0.620 249 A CB -0.476 18.539 19.000 0.026 0.000 0.819 249 A HN 0.386 nan 8.150 nan 0.000 0.442 250 L N -1.667 119.416 121.223 -0.234 0.000 2.093 250 L HA -0.033 4.307 4.340 0.000 0.000 0.208 250 L C 2.201 178.611 176.870 -0.767 0.000 1.085 250 L CA 1.522 55.990 54.840 -0.621 0.000 0.755 250 L CB -1.228 40.323 42.059 -0.846 0.000 0.904 250 L HN 0.542 nan 8.230 nan 0.000 0.435 251 F N -1.076 118.523 119.950 -0.585 0.000 2.095 251 F HA -0.277 4.250 4.527 0.000 0.000 0.298 251 F C 2.070 177.576 175.800 -0.489 0.000 1.104 251 F CA 1.625 59.292 58.000 -0.555 0.000 1.232 251 F CB -0.527 38.106 39.000 -0.611 0.000 0.987 251 F HN 0.058 nan 8.300 nan 0.000 0.475 252 W N 0.683 121.910 121.300 -0.122 0.000 2.381 252 W HA -0.101 4.559 4.660 0.000 0.000 0.301 252 W C 2.831 179.213 176.519 -0.229 0.000 1.205 252 W CA 1.447 58.676 57.345 -0.193 0.000 1.285 252 W CB -0.560 28.824 29.460 -0.127 0.000 1.133 252 W HN -0.063 nan 8.180 nan 0.000 0.521 253 R N -0.323 120.189 120.500 0.020 0.000 2.096 253 R HA -0.193 4.147 4.340 0.000 0.000 0.235 253 R C 1.859 178.274 176.300 0.192 0.000 1.127 253 R CA 2.005 58.158 56.100 0.089 0.000 0.968 253 R CB -0.771 29.585 30.300 0.093 0.000 0.861 253 R HN 0.117 nan 8.270 nan 0.000 0.440 254 W N 0.512 121.734 121.300 -0.129 0.000 2.467 254 W HA 0.047 4.707 4.660 0.000 0.000 0.275 254 W C 2.057 178.448 176.519 -0.213 0.000 1.239 254 W CA 1.011 58.258 57.345 -0.163 0.000 1.266 254 W CB -0.915 28.426 29.460 -0.199 0.000 1.112 254 W HN 0.128 nan 8.180 nan 0.000 0.576 255 T N 0.518 115.004 114.554 -0.113 0.000 2.814 255 T HA -0.074 4.276 4.350 0.000 0.000 0.254 255 T C 1.651 176.350 174.700 -0.003 0.000 1.037 255 T CA 1.686 63.676 62.100 -0.183 0.000 1.143 255 T CB -0.225 68.354 68.868 -0.481 0.000 0.866 255 T HN 0.178 nan 8.240 nan 0.000 0.431 256 M N -0.761 118.882 119.600 0.072 0.000 2.347 256 M HA 0.615 5.095 4.480 0.000 0.000 0.324 256 M C 1.290 177.733 176.300 0.239 0.000 1.028 256 M CA 0.131 55.518 55.300 0.145 0.000 0.988 256 M CB 0.952 33.643 32.600 0.153 0.000 1.528 256 M HN 0.277 nan 8.290 nan 0.000 0.550 257 G N 2.067 110.993 108.800 0.210 0.000 2.199 257 G HA2 -0.273 3.687 3.960 0.000 0.000 0.254 257 G HA3 -0.273 3.687 3.960 0.000 0.000 0.254 257 G C -0.189 174.942 174.900 0.386 0.000 0.982 257 G CA 0.506 45.766 45.100 0.266 0.000 0.632 257 G HN 0.821 nan 8.290 nan 0.000 0.529 258 F N -0.080 119.919 119.950 0.081 0.000 2.745 258 F HA 0.770 5.297 4.527 0.000 0.000 0.316 258 F C -0.756 175.089 175.800 0.076 0.000 1.155 258 F CA -1.371 56.671 58.000 0.070 0.000 0.937 258 F CB 0.613 39.643 39.000 0.049 0.000 1.361 258 F HN 0.373 nan 8.300 nan 0.000 0.472 259 N N 1.008 119.724 118.700 0.026 0.000 3.204 259 N HA 0.796 5.536 4.740 0.000 0.000 0.285 259 N C -1.807 173.711 175.510 0.013 0.000 1.536 259 N CA -0.769 52.231 53.050 -0.083 0.000 0.832 259 N CB 1.954 40.462 38.487 0.036 0.000 1.645 259 N HN 1.087 nan 8.380 nan 0.000 0.586 260 A N -0.220 122.596 122.820 -0.007 0.000 2.414 260 A HA 0.820 5.140 4.320 0.000 0.000 0.278 260 A C -0.292 177.341 177.584 0.083 0.000 1.228 260 A CA -0.357 51.727 52.037 0.078 0.000 0.857 260 A CB 0.931 19.938 19.000 0.013 0.000 1.389 260 A HN 0.828 nan 8.150 nan 0.000 0.452 261 T N -2.629 111.986 114.554 0.101 0.000 2.940 261 T HA 0.448 4.799 4.350 0.000 0.000 0.288 261 T C 1.075 175.831 174.700 0.094 0.000 1.045 261 T CA -0.726 61.427 62.100 0.088 0.000 1.018 261 T CB 0.869 69.789 68.868 0.086 0.000 1.151 261 T HN 0.361 nan 8.240 nan 0.000 0.529 262 M N 0.441 120.105 119.600 0.106 0.000 2.082 262 M HA -0.103 4.377 4.480 0.000 0.000 0.258 262 M C 2.158 178.595 176.300 0.229 0.000 1.069 262 M CA 1.924 57.318 55.300 0.157 0.000 1.102 262 M CB -1.254 31.428 32.600 0.136 0.000 1.336 262 M HN 0.961 nan 8.290 nan 0.000 0.404 263 E N -0.651 119.646 120.200 0.161 0.000 2.072 263 E HA -0.097 4.253 4.350 0.000 0.000 0.190 263 E C 2.025 178.725 176.600 0.167 0.000 0.982 263 E CA 1.074 57.573 56.400 0.165 0.000 0.803 263 E CB -0.175 29.571 29.700 0.077 0.000 0.755 263 E HN 0.524 nan 8.360 nan 0.000 0.453 264 G N 1.691 110.564 108.800 0.122 0.000 2.469 264 G HA2 -0.296 3.664 3.960 0.000 0.000 0.219 264 G HA3 -0.296 3.664 3.960 0.000 0.000 0.219 264 G C 1.538 176.532 174.900 0.157 0.000 1.150 264 G CA 0.936 46.107 45.100 0.119 0.000 0.763 264 G HN 0.341 nan 8.290 nan 0.000 0.561 265 I N 0.761 121.375 120.570 0.073 0.000 2.335 265 I HA -0.126 4.044 4.170 0.000 0.000 0.251 265 I C 2.299 178.257 176.117 -0.265 0.000 1.129 265 I CA 1.152 62.395 61.300 -0.095 0.000 1.402 265 I CB -0.402 37.350 38.000 -0.414 0.000 1.069 265 I HN 0.307 nan 8.210 nan 0.000 0.424 266 H N -0.569 118.457 119.070 -0.073 0.000 2.524 266 H HA 0.093 4.649 4.556 0.000 0.000 0.282 266 H C 2.213 177.530 175.328 -0.017 0.000 1.016 266 H CA 0.794 56.786 56.048 -0.093 0.000 1.270 266 H CB -0.095 29.613 29.762 -0.090 0.000 1.394 266 H HN 0.284 nan 8.280 nan 0.000 0.568 267 R N -0.652 119.907 120.500 0.098 0.000 2.075 267 R HA -0.090 4.250 4.340 0.000 0.000 0.226 267 R C 1.427 177.806 176.300 0.132 0.000 1.114 267 R CA 1.072 57.237 56.100 0.108 0.000 0.972 267 R CB -0.211 30.114 30.300 0.041 0.000 0.869 267 R HN 0.366 nan 8.270 nan 0.000 0.437 268 W N 1.154 122.483 121.300 0.048 0.000 2.335 268 W HA -0.163 4.497 4.660 0.000 0.000 0.311 268 W C 2.537 179.068 176.519 0.020 0.000 1.213 268 W CA 1.380 58.746 57.345 0.036 0.000 1.274 268 W CB -0.401 29.023 29.460 -0.061 0.000 1.148 268 W HN 0.177 nan 8.180 nan 0.000 0.498 269 A N 0.424 123.331 122.820 0.146 0.000 1.841 269 A HA -0.262 4.058 4.320 0.000 0.000 0.216 269 A C 1.946 179.536 177.584 0.012 0.000 1.199 269 A CA 1.926 53.961 52.037 -0.005 0.000 0.621 269 A CB -1.272 17.624 19.000 -0.173 0.000 0.835 269 A HN 0.337 nan 8.150 nan 0.000 0.445 270 I N -2.143 118.420 120.570 -0.012 0.000 2.315 270 I HA -0.294 3.876 4.170 0.000 0.000 0.251 270 I C 2.242 178.261 176.117 -0.162 0.000 1.125 270 I CA 1.608 62.847 61.300 -0.102 0.000 1.392 270 I CB -0.096 37.811 38.000 -0.154 0.000 1.065 270 I HN 0.633 nan 8.210 nan 0.000 0.424 271 W N -0.312 120.974 121.300 -0.023 0.000 2.443 271 W HA -0.150 4.510 4.660 0.000 0.000 0.296 271 W C 2.439 178.901 176.519 -0.096 0.000 1.202 271 W CA 0.657 57.959 57.345 -0.070 0.000 1.312 271 W CB -0.351 29.041 29.460 -0.113 0.000 1.120 271 W HN 0.114 nan 8.180 nan 0.000 0.536 272 M N 1.144 120.870 119.600 0.210 0.000 2.082 272 M HA -0.181 4.300 4.480 0.000 0.000 0.258 272 M C 2.047 178.409 176.300 0.103 0.000 1.069 272 M CA 2.506 57.909 55.300 0.171 0.000 1.102 272 M CB -0.923 31.814 32.600 0.228 0.000 1.336 272 M HN -0.031 nan 8.290 nan 0.000 0.404 273 A N -1.265 121.601 122.820 0.077 0.000 1.854 273 A HA -0.054 4.266 4.320 0.000 0.000 0.214 273 A C 2.187 179.796 177.584 0.042 0.000 1.192 273 A CA 1.732 53.811 52.037 0.070 0.000 0.611 273 A CB -1.263 17.764 19.000 0.045 0.000 0.832 273 A HN 0.356 nan 8.150 nan 0.000 0.442 274 V N 0.417 120.323 119.914 -0.013 0.000 2.380 274 V HA -0.270 3.850 4.120 0.000 0.000 0.251 274 V C 2.493 178.588 176.094 0.001 0.000 1.063 274 V CA 1.974 64.256 62.300 -0.031 0.000 1.055 274 V CB -0.691 31.022 31.823 -0.184 0.000 0.657 274 V HN 0.562 nan 8.190 nan 0.000 0.455 275 L N -0.971 120.211 121.223 -0.069 0.000 2.275 275 L HA -0.113 4.227 4.340 0.000 0.000 0.215 275 L C 2.352 179.212 176.870 -0.017 0.000 1.119 275 L CA 0.561 55.288 54.840 -0.189 0.000 0.790 275 L CB -0.541 41.033 42.059 -0.808 0.000 0.919 275 L HN 0.216 nan 8.230 nan 0.000 0.443 276 V N 0.235 120.204 119.914 0.093 0.000 2.220 276 V HA -0.332 3.788 4.120 0.000 0.000 0.246 276 V C 2.641 178.853 176.094 0.197 0.000 1.049 276 V CA 2.678 65.108 62.300 0.217 0.000 1.003 276 V CB -0.959 30.974 31.823 0.183 0.000 0.634 276 V HN 0.663 nan 8.190 nan 0.000 0.444 277 T N -1.951 112.708 114.554 0.175 0.000 3.055 277 T HA -0.026 4.325 4.350 0.000 0.000 0.265 277 T C 1.729 176.620 174.700 0.317 0.000 1.111 277 T CA 1.011 63.234 62.100 0.205 0.000 1.118 277 T CB -0.093 68.887 68.868 0.186 0.000 0.909 277 T HN 0.240 nan 8.240 nan 0.000 0.501 278 L N 2.852 124.249 121.223 0.290 0.000 2.007 278 L HA 0.023 4.363 4.340 0.000 0.000 0.205 278 L C 2.801 179.899 176.870 0.381 0.000 1.073 278 L CA 2.510 57.554 54.840 0.339 0.000 0.744 278 L CB -1.351 40.794 42.059 0.144 0.000 0.898 278 L HN 0.476 nan 8.230 nan 0.000 0.435 279 T N -3.094 111.647 114.554 0.311 0.000 2.708 279 T HA -0.111 4.239 4.350 0.000 0.000 0.266 279 T C 2.007 176.890 174.700 0.305 0.000 1.037 279 T CA 1.065 63.396 62.100 0.385 0.000 1.146 279 T CB -1.708 67.445 68.868 0.475 0.000 0.865 279 T HN 0.400 nan 8.240 nan 0.000 0.435 280 G N 1.425 110.376 108.800 0.251 0.000 2.469 280 G HA2 -0.010 3.950 3.960 0.000 0.000 0.219 280 G HA3 -0.010 3.950 3.960 0.000 0.000 0.219 280 G C 1.760 176.692 174.900 0.053 0.000 1.150 280 G CA 0.834 46.028 45.100 0.156 0.000 0.763 280 G HN 0.703 nan 8.290 nan 0.000 0.561 281 G N 0.928 109.755 108.800 0.046 0.000 2.440 281 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 281 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 281 G C 1.782 176.574 174.900 -0.180 0.000 1.154 281 G CA 0.859 45.773 45.100 -0.309 0.000 0.767 281 G HN 0.462 nan 8.290 nan 0.000 0.552 282 I N 1.186 121.806 120.570 0.082 0.000 2.179 282 I HA -0.076 4.094 4.170 0.000 0.000 0.242 282 I C 3.100 179.004 176.117 -0.354 0.000 1.088 282 I CA 0.998 62.216 61.300 -0.137 0.000 1.357 282 I CB -0.512 37.250 38.000 -0.398 0.000 1.051 282 I HN 0.243 nan 8.210 nan 0.000 0.409 283 G N 1.442 110.051 108.800 -0.317 0.000 2.440 283 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 283 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 283 G C 1.575 176.481 174.900 0.011 0.000 1.154 283 G CA 0.533 45.562 45.100 -0.118 0.000 0.767 283 G HN 0.176 nan 8.290 nan 0.000 0.552 284 I N 0.504 121.061 120.570 -0.022 0.000 2.252 284 I HA -0.032 4.138 4.170 0.000 0.000 0.245 284 I C 2.621 178.771 176.117 0.055 0.000 1.102 284 I CA 0.536 61.846 61.300 0.017 0.000 1.385 284 I CB -1.207 36.727 38.000 -0.111 0.000 1.064 284 I HN 0.150 nan 8.210 nan 0.000 0.414 285 L N 0.928 122.123 121.223 -0.046 0.000 2.079 285 L HA -0.166 4.174 4.340 0.000 0.000 0.210 285 L C 2.272 179.165 176.870 0.038 0.000 1.081 285 L CA 1.833 56.654 54.840 -0.032 0.000 0.752 285 L CB -0.546 41.468 42.059 -0.076 0.000 0.896 285 L HN 0.139 nan 8.230 nan 0.000 0.433 286 L N -1.230 120.036 121.223 0.071 0.000 2.313 286 L HA 0.010 4.350 4.340 0.000 0.000 0.214 286 L C 0.961 177.890 176.870 0.099 0.000 1.119 286 L CA -0.047 54.852 54.840 0.098 0.000 0.809 286 L CB -0.497 41.663 42.059 0.168 0.000 0.933 286 L HN 0.056 nan 8.230 nan 0.000 0.449 287 S N 0.443 116.265 115.700 0.202 0.000 2.481 287 S HA 0.348 4.818 4.470 0.000 0.000 0.282 287 S C 1.150 175.742 174.600 -0.014 0.000 1.243 287 S CA 0.480 58.736 58.200 0.092 0.000 1.078 287 S CB 0.844 64.073 63.200 0.048 0.000 0.916 287 S HN 0.574 nan 8.310 nan 0.000 0.495 288 G N 3.250 112.089 108.800 0.065 0.000 2.336 288 G HA2 -0.376 3.584 3.960 0.000 0.000 0.233 288 G HA3 -0.376 3.584 3.960 0.000 0.000 0.233 288 G C 1.139 176.049 174.900 0.017 0.000 1.053 288 G CA 0.846 46.022 45.100 0.128 0.000 0.625 288 G HN 0.827 nan 8.290 nan 0.000 0.511 289 T N -1.605 112.953 114.554 0.006 0.000 2.852 289 T HA 0.327 4.677 4.350 0.000 0.000 0.256 289 T C 2.171 176.850 174.700 -0.035 0.000 1.038 289 T CA 2.404 64.497 62.100 -0.010 0.000 1.141 289 T CB -0.099 68.773 68.868 0.006 0.000 0.869 289 T HN 0.697 nan 8.240 nan 0.000 0.439 290 V N 0.275 120.153 119.914 -0.061 0.000 2.911 290 V HA 0.342 4.462 4.120 0.000 0.000 0.237 290 V C 0.662 176.659 176.094 -0.161 0.000 1.156 290 V CA -0.052 62.201 62.300 -0.078 0.000 1.180 290 V CB 0.684 32.478 31.823 -0.048 0.000 0.932 290 V HN 0.318 nan 8.190 nan 0.000 0.483 291 V N 3.149 122.869 119.914 -0.324 0.000 2.347 291 V HA 0.314 4.434 4.120 0.000 0.000 0.280 291 V C 0.498 176.330 176.094 -0.437 0.000 1.021 291 V CA -0.139 61.823 62.300 -0.563 0.000 0.847 291 V CB 1.397 32.361 31.823 -1.431 0.000 0.990 291 V HN 0.638 nan 8.190 nan 0.000 0.444 292 D N 2.899 123.139 120.400 -0.266 0.000 2.349 292 D HA 0.019 4.659 4.640 0.000 0.000 0.214 292 D C 0.309 176.514 176.300 -0.159 0.000 1.063 292 D CA 0.140 54.042 54.000 -0.163 0.000 0.847 292 D CB 0.530 41.250 40.800 -0.133 0.000 0.933 292 D HN 0.448 nan 8.370 nan 0.000 0.513 293 N N -0.148 118.435 118.700 -0.196 0.000 2.629 293 N HA 0.039 4.779 4.740 0.000 0.000 0.277 293 N C -0.450 175.054 175.510 -0.008 0.000 1.188 293 N CA -0.427 52.591 53.050 -0.055 0.000 0.835 293 N CB 0.243 38.724 38.487 -0.010 0.000 1.420 293 N HN -0.067 nan 8.380 nan 0.000 0.542 294 W N 1.698 123.102 121.300 0.172 0.000 2.374 294 W HA -0.149 4.511 4.660 0.000 0.000 0.288 294 W C 1.873 178.553 176.519 0.269 0.000 1.218 294 W CA 0.723 58.211 57.345 0.239 0.000 1.245 294 W CB -0.257 29.344 29.460 0.234 0.000 1.126 294 W HN 0.671 nan 8.180 nan 0.000 0.545 295 Y N 0.534 120.938 120.300 0.173 0.000 2.145 295 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 295 Y C 2.221 178.056 175.900 -0.109 0.000 1.145 295 Y CA 2.073 60.018 58.100 -0.257 0.000 1.148 295 Y CB -0.819 37.368 38.460 -0.456 0.000 0.981 295 Y HN -0.223 nan 8.280 nan 0.000 0.507 296 V N -0.375 119.539 119.914 -0.000 0.000 2.295 296 V HA -0.322 3.798 4.120 0.000 0.000 0.246 296 V C 2.126 178.153 176.094 -0.111 0.000 1.049 296 V CA 2.136 64.377 62.300 -0.099 0.000 1.024 296 V CB -1.168 30.662 31.823 0.011 0.000 0.648 296 V HN 0.738 nan 8.190 nan 0.000 0.447 297 W N 1.439 122.644 121.300 -0.158 0.000 2.335 297 W HA -0.143 4.517 4.660 0.000 0.000 0.311 297 W C 2.295 178.728 176.519 -0.143 0.000 1.213 297 W CA 1.925 59.195 57.345 -0.125 0.000 1.274 297 W CB -0.691 28.697 29.460 -0.120 0.000 1.148 297 W HN 0.249 nan 8.180 nan 0.000 0.498 298 G N -0.199 108.698 108.800 0.161 0.000 2.498 298 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 298 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 298 G C 1.402 175.917 174.900 -0.641 0.000 1.119 298 G CA 0.777 45.797 45.100 -0.135 0.000 0.766 298 G HN 0.290 nan 8.290 nan 0.000 0.552 299 Q N 0.644 120.082 119.800 -0.602 0.000 2.062 299 Q HA -0.038 4.303 4.340 0.000 0.000 0.196 299 Q C 2.175 177.838 176.000 -0.562 0.000 0.967 299 Q CA 1.633 57.093 55.803 -0.571 0.000 0.832 299 Q CB -0.216 28.215 28.738 -0.512 0.000 0.899 299 Q HN 0.836 nan 8.270 nan 0.000 0.442 300 N N -2.074 116.308 118.700 -0.531 0.000 2.220 300 N HA -0.008 4.732 4.740 0.000 0.000 0.195 300 N C -0.345 174.932 175.510 -0.388 0.000 1.123 300 N CA -0.035 52.785 53.050 -0.382 0.000 0.874 300 N CB 0.220 38.568 38.487 -0.233 0.000 0.995 300 N HN 0.061 nan 8.380 nan 0.000 0.498 301 H N -1.076 117.633 119.070 -0.602 0.000 2.822 301 H HA -0.125 4.431 4.556 0.000 0.000 0.295 301 H C 0.838 175.842 175.328 -0.540 0.000 1.151 301 H CA 0.828 56.357 56.048 -0.864 0.000 1.151 301 H CB -1.794 27.640 29.762 -0.547 0.000 1.343 301 H HN 0.573 nan 8.280 nan 0.000 0.382 302 G N 0.000 108.607 108.800 -0.321 0.000 5.446 302 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 302 G CA 0.000 45.036 45.100 -0.107 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925