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 1rzh_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 WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GECELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE H 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 0.000 177.605 177.584 0.036 0.000 1.274 1 A CA 0.000 52.050 52.037 0.022 0.000 0.836 1 A CB 0.000 19.008 19.000 0.014 0.000 0.831 2 E N -0.360 119.860 120.200 0.034 0.000 2.248 2 E HA 0.437 4.787 4.350 -0.000 0.000 0.272 2 E C -1.363 175.289 176.600 0.087 0.000 1.008 2 E CA -0.609 55.824 56.400 0.056 0.000 0.856 2 E CB 1.402 31.121 29.700 0.031 0.000 1.120 2 E HN 0.504 nan 8.360 nan 0.000 0.397 3 Y N 2.291 122.582 120.300 -0.016 0.000 2.721 3 Y HA -0.118 4.432 4.550 0.000 0.000 0.329 3 Y C 0.806 176.690 175.900 -0.027 0.000 1.211 3 Y CA 0.583 58.676 58.100 -0.012 0.000 1.512 3 Y CB 0.458 38.912 38.460 -0.010 0.000 1.249 3 Y HN 0.449 nan 8.280 nan 0.000 0.549 4 Q N 3.955 123.456 119.800 -0.498 0.000 2.356 4 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 4 Q C 0.472 176.056 176.000 -0.693 0.000 0.901 4 Q CA 0.546 56.068 55.803 -0.467 0.000 0.938 4 Q CB -0.133 28.446 28.738 -0.265 0.000 1.081 4 Q HN 0.882 nan 8.270 nan 0.000 0.517 5 N N 0.159 117.995 118.700 -1.439 0.000 2.754 5 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 5 N C 0.208 175.464 175.510 -0.424 0.000 1.093 5 N CA 0.265 52.735 53.050 -0.967 0.000 0.699 5 N CB -0.898 37.303 38.487 -0.478 0.000 1.016 5 N HN 0.167 nan 8.380 nan 0.000 0.552 6 I N -1.408 118.930 120.570 -0.388 0.000 2.731 6 I HA 0.142 4.312 4.170 -0.000 0.000 0.260 6 I C 0.526 176.414 176.117 -0.380 0.000 1.138 6 I CA 0.976 62.042 61.300 -0.391 0.000 1.461 6 I CB -0.467 37.255 38.000 -0.463 0.000 1.128 6 I HN 0.038 nan 8.210 nan 0.000 0.438 7 F N 0.227 120.243 119.950 0.109 0.000 2.551 7 F HA 0.411 4.938 4.527 -0.000 0.000 0.316 7 F C 0.814 176.822 175.800 0.346 0.000 1.089 7 F CA -1.109 57.036 58.000 0.242 0.000 0.915 7 F CB 1.339 40.448 39.000 0.181 0.000 1.186 7 F HN -0.332 nan 8.300 nan 0.000 0.456 8 S N 1.558 117.618 115.700 0.599 0.000 2.585 8 S HA 0.097 4.567 4.470 -0.000 0.000 0.273 8 S C 0.958 175.846 174.600 0.480 0.000 1.339 8 S CA -0.463 58.029 58.200 0.486 0.000 1.028 8 S CB 1.045 64.451 63.200 0.343 0.000 0.906 8 S HN 0.702 nan 8.310 nan 0.000 0.528 9 Q N 0.147 120.080 119.800 0.222 0.000 2.204 9 Q HA 0.193 4.533 4.340 -0.000 0.000 0.198 9 Q C 0.156 176.292 176.000 0.227 0.000 0.946 9 Q CA 0.585 56.461 55.803 0.122 0.000 0.859 9 Q CB 0.334 28.960 28.738 -0.186 0.000 0.946 9 Q HN 0.426 nan 8.270 nan 0.000 0.474 10 V N 0.578 120.581 119.914 0.148 0.000 2.808 10 V HA 0.264 4.384 4.120 -0.000 0.000 0.308 10 V C -1.756 174.336 176.094 -0.003 0.000 1.099 10 V CA -0.677 61.674 62.300 0.085 0.000 0.920 10 V CB 2.182 34.015 31.823 0.018 0.000 1.014 10 V HN 0.100 nan 8.190 nan 0.000 0.425 11 Q N 3.581 123.302 119.800 -0.132 0.000 2.245 11 Q HA 0.736 5.076 4.340 -0.000 0.000 0.256 11 Q C -0.922 174.994 176.000 -0.140 0.000 0.942 11 Q CA -0.687 55.000 55.803 -0.194 0.000 0.896 11 Q CB 2.401 30.890 28.738 -0.415 0.000 1.272 11 Q HN 0.818 nan 8.270 nan 0.000 0.442 12 V N -0.404 119.447 119.914 -0.104 0.000 2.769 12 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 12 V C -0.866 175.169 176.094 -0.098 0.000 1.061 12 V CA -1.004 61.242 62.300 -0.091 0.000 0.931 12 V CB 2.104 33.891 31.823 -0.060 0.000 1.010 12 V HN 0.780 nan 8.190 nan 0.000 0.433 13 R N 1.237 121.664 120.500 -0.121 0.000 2.651 13 R HA 0.792 5.132 4.340 -0.000 0.000 0.278 13 R C -0.106 176.103 176.300 -0.151 0.000 1.010 13 R CA 0.240 56.246 56.100 -0.156 0.000 0.896 13 R CB 2.297 32.433 30.300 -0.273 0.000 1.211 13 R HN 1.254 nan 8.270 nan 0.000 0.456 14 G N 2.083 110.807 108.800 -0.126 0.000 3.211 14 G HA2 0.570 4.530 3.960 -0.000 0.000 0.262 14 G HA3 0.570 4.530 3.960 -0.000 0.000 0.262 14 G C -2.480 172.359 174.900 -0.102 0.000 1.352 14 G CA -1.166 43.878 45.100 -0.095 0.000 1.004 14 G HN 0.461 nan 8.290 nan 0.000 0.559 15 P HA 0.406 nan 4.420 nan 0.000 0.269 15 P C 0.052 177.404 177.300 0.085 0.000 1.215 15 P CA -0.056 63.040 63.100 -0.007 0.000 0.780 15 P CB 0.595 32.296 31.700 0.002 0.000 0.898 16 A N 1.832 124.757 122.820 0.175 0.000 2.567 16 A HA 0.029 4.349 4.320 -0.000 0.000 0.240 16 A C 0.406 178.071 177.584 0.134 0.000 1.053 16 A CA 0.224 52.432 52.037 0.286 0.000 0.755 16 A CB -0.427 18.713 19.000 0.233 0.000 0.978 16 A HN 0.521 nan 8.150 nan 0.000 0.507 17 D N 2.663 123.132 120.400 0.115 0.000 2.339 17 D HA 0.261 4.901 4.640 -0.000 0.000 0.241 17 D C 0.787 177.102 176.300 0.025 0.000 1.183 17 D CA -0.118 53.915 54.000 0.054 0.000 0.859 17 D CB 0.507 41.334 40.800 0.046 0.000 1.067 17 D HN 0.455 nan 8.370 nan 0.000 0.484 18 L N 3.103 124.337 121.223 0.019 0.000 2.554 18 L HA 0.215 4.555 4.340 -0.000 0.000 0.226 18 L C 1.510 178.381 176.870 0.000 0.000 1.137 18 L CA 0.277 55.121 54.840 0.007 0.000 0.863 18 L CB -0.832 41.232 42.059 0.008 0.000 0.985 18 L HN 0.637 nan 8.230 nan 0.000 0.451 19 G N 0.189 108.988 108.800 -0.002 0.000 2.760 19 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.246 19 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.246 19 G C -0.320 174.573 174.900 -0.012 0.000 1.359 19 G CA -0.830 44.264 45.100 -0.010 0.000 0.861 19 G HN -0.108 nan 8.290 nan 0.000 0.541 20 M N 0.329 119.916 119.600 -0.021 0.000 2.242 20 M HA 0.347 4.827 4.480 -0.000 0.000 0.344 20 M C 1.686 177.973 176.300 -0.023 0.000 1.140 20 M CA 0.340 55.626 55.300 -0.025 0.000 1.160 20 M CB 0.390 32.968 32.600 -0.036 0.000 1.491 20 M HN 0.684 nan 8.290 nan 0.000 0.459 21 T N 0.036 114.579 114.554 -0.020 0.000 2.904 21 T HA 0.026 4.376 4.350 -0.000 0.000 0.243 21 T C 0.657 175.342 174.700 -0.026 0.000 1.024 21 T CA 0.166 62.257 62.100 -0.015 0.000 1.158 21 T CB 0.198 69.060 68.868 -0.010 0.000 0.867 21 T HN 0.602 nan 8.240 nan 0.000 0.429 22 E N 1.120 121.302 120.200 -0.030 0.000 3.464 22 E HA -0.207 4.143 4.350 -0.000 0.000 0.362 22 E C 0.033 176.612 176.600 -0.035 0.000 1.544 22 E CA 1.588 57.965 56.400 -0.038 0.000 1.816 22 E CB -1.182 28.485 29.700 -0.055 0.000 1.767 22 E HN 0.395 nan 8.360 nan 0.000 0.458 23 D N 0.957 121.329 120.400 -0.048 0.000 2.358 23 D HA 0.172 4.811 4.640 -0.000 0.000 0.224 23 D C -0.069 176.207 176.300 -0.040 0.000 1.123 23 D CA 0.097 54.072 54.000 -0.041 0.000 0.833 23 D CB 0.146 40.917 40.800 -0.048 0.000 0.946 23 D HN -0.051 nan 8.370 nan 0.000 0.505 24 V N 1.885 121.777 119.914 -0.038 0.000 2.637 24 V HA -0.013 4.107 4.120 -0.000 0.000 0.296 24 V C 0.926 177.061 176.094 0.069 0.000 1.046 24 V CA -0.608 61.685 62.300 -0.011 0.000 1.066 24 V CB 1.086 32.901 31.823 -0.012 0.000 0.968 24 V HN 0.083 nan 8.190 nan 0.000 0.483 25 N N 3.960 122.756 118.700 0.161 0.000 2.421 25 N HA 0.090 4.830 4.740 -0.000 0.000 0.260 25 N C 0.630 176.213 175.510 0.121 0.000 1.173 25 N CA -0.235 52.894 53.050 0.132 0.000 0.960 25 N CB 0.707 39.277 38.487 0.138 0.000 1.273 25 N HN 0.519 nan 8.380 nan 0.000 0.497 26 L N 3.164 124.422 121.223 0.059 0.000 2.263 26 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 26 L C 2.307 179.159 176.870 -0.030 0.000 1.111 26 L CA 1.418 56.273 54.840 0.024 0.000 0.773 26 L CB -0.821 41.244 42.059 0.010 0.000 0.906 26 L HN 0.618 nan 8.230 nan 0.000 0.439 27 A N -0.502 122.293 122.820 -0.040 0.000 2.019 27 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 27 A C 1.929 179.427 177.584 -0.144 0.000 1.164 27 A CA 1.556 53.550 52.037 -0.071 0.000 0.644 27 A CB -0.450 18.518 19.000 -0.053 0.000 0.805 27 A HN 0.492 nan 8.150 nan 0.000 0.449 28 N N -0.768 117.785 118.700 -0.246 0.000 2.336 28 N HA 0.044 4.784 4.740 -0.000 0.000 0.189 28 N C 0.413 175.572 175.510 -0.586 0.000 1.113 28 N CA 0.162 52.908 53.050 -0.507 0.000 0.858 28 N CB 0.063 38.016 38.487 -0.890 0.000 0.970 28 N HN 0.484 nan 8.380 nan 0.000 0.471 29 R N 1.208 121.530 120.500 -0.297 0.000 2.312 29 R HA 0.216 4.556 4.340 -0.000 0.000 0.311 29 R C 0.561 176.796 176.300 -0.108 0.000 1.004 29 R CA -0.259 55.747 56.100 -0.156 0.000 0.902 29 R CB 0.834 31.125 30.300 -0.015 0.000 1.073 29 R HN 0.073 nan 8.270 nan 0.000 0.457 30 S N 2.340 117.989 115.700 -0.086 0.000 2.640 30 S HA 0.419 4.889 4.470 -0.000 0.000 0.262 30 S C 0.606 175.180 174.600 -0.043 0.000 1.232 30 S CA -0.463 57.699 58.200 -0.063 0.000 0.988 30 S CB 0.997 64.165 63.200 -0.053 0.000 1.034 30 S HN 0.676 nan 8.310 nan 0.000 0.569 31 G N -1.013 107.766 108.800 -0.035 0.000 2.547 31 G HA2 0.482 4.442 3.960 -0.000 0.000 0.291 31 G HA3 0.482 4.442 3.960 -0.000 0.000 0.291 31 G C -0.403 174.476 174.900 -0.034 0.000 1.211 31 G CA -0.653 44.432 45.100 -0.026 0.000 0.950 31 G HN 0.909 nan 8.290 nan 0.000 0.504 32 V N 0.289 120.185 119.914 -0.031 0.000 2.715 32 V HA 0.544 4.664 4.120 -0.000 0.000 0.299 32 V C 1.208 177.252 176.094 -0.084 0.000 1.054 32 V CA 0.625 62.883 62.300 -0.070 0.000 1.077 32 V CB 0.812 32.601 31.823 -0.057 0.000 0.972 32 V HN 0.962 nan 8.190 nan 0.000 0.484 33 G N 6.270 114.985 108.800 -0.142 0.000 2.509 33 G HA2 0.546 4.506 3.960 -0.000 0.000 0.269 33 G HA3 0.546 4.506 3.960 -0.000 0.000 0.269 33 G C -2.463 172.343 174.900 -0.156 0.000 1.416 33 G CA -0.795 44.233 45.100 -0.119 0.000 1.052 33 G HN 0.727 nan 8.290 nan 0.000 0.542 34 P HA 0.343 nan 4.420 nan 0.000 0.277 34 P C -1.309 175.903 177.300 -0.148 0.000 1.271 34 P CA -0.287 62.796 63.100 -0.029 0.000 0.795 34 P CB 0.869 32.578 31.700 0.017 0.000 1.101 35 F N -0.646 119.294 119.950 -0.016 0.000 2.436 35 F HA 0.312 4.840 4.527 0.000 0.000 0.340 35 F C 1.057 176.841 175.800 -0.026 0.000 1.113 35 F CA -0.287 57.698 58.000 -0.025 0.000 1.022 35 F CB 1.691 40.669 39.000 -0.037 0.000 1.128 35 F HN 0.097 nan 8.300 nan 0.000 0.466 36 S N 1.964 117.733 115.700 0.115 0.000 2.461 36 S HA 0.212 4.682 4.470 -0.000 0.000 0.322 36 S C 0.839 175.462 174.600 0.039 0.000 1.063 36 S CA -0.511 57.731 58.200 0.069 0.000 1.120 36 S CB 0.714 63.942 63.200 0.046 0.000 0.968 36 S HN 0.740 nan 8.310 nan 0.000 0.467 37 T N 5.505 120.059 114.554 0.000 0.000 2.833 37 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 37 T C 1.718 176.340 174.700 -0.129 0.000 1.054 37 T CA 1.266 63.283 62.100 -0.138 0.000 1.135 37 T CB -0.283 68.513 68.868 -0.120 0.000 0.869 37 T HN 0.560 nan 8.240 nan 0.000 0.466 38 L N 1.109 122.380 121.223 0.079 0.000 1.976 38 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 38 L C 2.166 179.180 176.870 0.240 0.000 1.071 38 L CA 1.702 56.682 54.840 0.234 0.000 0.746 38 L CB -0.777 41.373 42.059 0.151 0.000 0.890 38 L HN 0.238 nan 8.230 nan 0.000 0.432 39 L N -0.642 120.669 121.223 0.147 0.000 2.083 39 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 39 L C 2.460 179.449 176.870 0.198 0.000 1.083 39 L CA 1.196 56.141 54.840 0.176 0.000 0.752 39 L CB -1.351 40.778 42.059 0.115 0.000 0.899 39 L HN 0.517 nan 8.230 nan 0.000 0.433 40 G N -0.913 107.925 108.800 0.063 0.000 2.501 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 1.126 176.049 174.900 0.038 0.000 1.114 40 G CA 0.220 45.309 45.100 -0.018 0.000 0.757 40 G HN 0.453 nan 8.290 nan 0.000 0.559 41 W N -1.464 119.938 121.300 0.170 0.000 2.584 41 W HA 0.277 4.937 4.660 -0.000 0.000 0.264 41 W C 1.907 178.682 176.519 0.427 0.000 1.264 41 W CA -0.437 57.036 57.345 0.213 0.000 1.306 41 W CB -0.039 29.468 29.460 0.080 0.000 1.110 41 W HN 0.165 nan 8.180 nan 0.000 0.606 42 F N -0.819 119.399 119.950 0.446 0.000 2.490 42 F HA 0.422 4.949 4.527 -0.000 0.000 0.280 42 F C 1.468 177.377 175.800 0.182 0.000 1.030 42 F CA 1.325 59.533 58.000 0.348 0.000 1.367 42 F CB -0.338 38.853 39.000 0.319 0.000 1.131 42 F HN -0.247 nan 8.300 nan 0.000 0.632 43 G N -0.660 108.285 108.800 0.242 0.000 3.107 43 G HA2 0.176 4.136 3.960 -0.000 0.000 0.233 43 G HA3 0.176 4.136 3.960 -0.000 0.000 0.233 43 G C -1.188 173.765 174.900 0.089 0.000 1.168 43 G CA -0.799 44.352 45.100 0.084 0.000 0.801 43 G HN -0.083 nan 8.290 nan 0.000 0.605 44 N N 0.675 119.412 118.700 0.062 0.000 2.492 44 N HA 0.285 5.025 4.740 -0.000 0.000 0.262 44 N C 1.060 176.605 175.510 0.059 0.000 1.202 44 N CA 0.568 53.649 53.050 0.051 0.000 0.926 44 N CB 1.716 40.221 38.487 0.030 0.000 1.078 44 N HN 0.534 nan 8.380 nan 0.000 0.454 45 A N 2.508 125.373 122.820 0.076 0.000 2.132 45 A HA -0.056 4.264 4.320 -0.000 0.000 0.213 45 A C 0.984 178.596 177.584 0.046 0.000 1.154 45 A CA 0.391 52.487 52.037 0.097 0.000 0.753 45 A CB -0.041 19.045 19.000 0.144 0.000 0.826 45 A HN 0.764 nan 8.150 nan 0.000 0.469 46 Q N 0.392 120.169 119.800 -0.038 0.000 2.304 46 Q HA 0.391 4.731 4.340 -0.000 0.000 0.260 46 Q C -1.579 174.228 176.000 -0.321 0.000 0.965 46 Q CA -0.276 55.267 55.803 -0.433 0.000 0.898 46 Q CB 0.401 28.948 28.738 -0.318 0.000 1.196 46 Q HN 0.262 nan 8.270 nan 0.000 0.402 47 L N 3.938 124.911 121.223 -0.417 0.000 2.307 47 L HA 0.633 4.973 4.340 -0.000 0.000 0.284 47 L C 0.515 177.251 176.870 -0.223 0.000 1.023 47 L CA 0.881 55.582 54.840 -0.231 0.000 0.810 47 L CB 1.292 43.247 42.059 -0.173 0.000 1.231 47 L HN 0.914 nan 8.230 nan 0.000 0.423 48 G N 3.914 112.634 108.800 -0.134 0.000 2.796 48 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.226 48 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.226 48 G C -2.773 172.065 174.900 -0.103 0.000 1.381 48 G CA -0.643 44.397 45.100 -0.100 0.000 0.867 48 G HN 0.543 nan 8.290 nan 0.000 0.552 49 P HA 0.575 nan 4.420 nan 0.000 0.275 49 P C -0.172 177.115 177.300 -0.023 0.000 1.266 49 P CA -0.358 62.715 63.100 -0.044 0.000 0.793 49 P CB 1.177 32.860 31.700 -0.030 0.000 1.074 50 I N -0.327 120.236 120.570 -0.012 0.000 2.785 50 I HA 0.377 4.547 4.170 -0.000 0.000 0.302 50 I C -1.248 174.889 176.117 0.034 0.000 1.069 50 I CA -1.421 59.890 61.300 0.018 0.000 1.045 50 I CB 1.998 40.008 38.000 0.017 0.000 1.236 50 I HN 0.217 nan 8.210 nan 0.000 0.429 51 Y N 7.042 127.303 120.300 -0.065 0.000 2.326 51 Y HA 0.615 5.165 4.550 -0.000 0.000 0.337 51 Y C -1.291 174.563 175.900 -0.075 0.000 1.023 51 Y CA -0.511 57.544 58.100 -0.076 0.000 1.143 51 Y CB 0.993 39.391 38.460 -0.103 0.000 1.183 51 Y HN 0.378 nan 8.280 nan 0.000 0.485 52 L N 7.490 128.483 121.223 -0.383 0.000 2.490 52 L HA 0.437 4.777 4.340 -0.000 0.000 0.256 52 L C 0.418 177.122 176.870 -0.277 0.000 1.089 52 L CA -0.513 54.215 54.840 -0.187 0.000 0.916 52 L CB 0.973 42.974 42.059 -0.097 0.000 1.188 52 L HN 0.879 nan 8.230 nan 0.000 0.476 53 G N 0.142 108.853 108.800 -0.149 0.000 2.509 53 G HA2 0.273 4.233 3.960 -0.000 0.000 0.269 53 G HA3 0.273 4.233 3.960 -0.000 0.000 0.269 53 G C 0.798 175.693 174.900 -0.008 0.000 1.416 53 G CA -0.079 44.979 45.100 -0.069 0.000 1.052 53 G HN 0.397 nan 8.290 nan 0.000 0.542 54 S N -0.742 114.965 115.700 0.011 0.000 2.348 54 S HA -0.152 4.318 4.470 -0.000 0.000 0.221 54 S C 2.366 176.988 174.600 0.037 0.000 1.033 54 S CA 1.213 59.422 58.200 0.016 0.000 1.010 54 S CB -0.458 62.751 63.200 0.016 0.000 0.891 54 S HN 0.360 nan 8.310 nan 0.000 0.442 55 L N 2.020 123.269 121.223 0.043 0.000 2.043 55 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 55 L C 2.242 179.145 176.870 0.054 0.000 1.075 55 L CA 2.025 56.893 54.840 0.046 0.000 0.752 55 L CB -1.263 40.807 42.059 0.017 0.000 0.891 55 L HN 0.339 nan 8.230 nan 0.000 0.432 56 G N -1.659 107.165 108.800 0.041 0.000 2.408 56 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 56 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 56 G C 1.515 176.480 174.900 0.108 0.000 1.150 56 G CA 0.899 46.031 45.100 0.054 0.000 0.776 56 G HN 0.330 nan 8.290 nan 0.000 0.542 57 V N 0.759 120.719 119.914 0.077 0.000 2.427 57 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 57 V C 2.642 178.823 176.094 0.144 0.000 1.051 57 V CA 1.530 63.882 62.300 0.086 0.000 1.048 57 V CB -0.395 31.448 31.823 0.034 0.000 0.666 57 V HN 0.364 nan 8.190 nan 0.000 0.456 58 L N 0.148 121.452 121.223 0.136 0.000 2.017 58 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 58 L C 2.609 179.618 176.870 0.230 0.000 1.073 58 L CA 2.487 57.443 54.840 0.193 0.000 0.745 58 L CB -0.913 41.235 42.059 0.148 0.000 0.894 58 L HN 0.292 nan 8.230 nan 0.000 0.432 59 S N -0.839 114.979 115.700 0.196 0.000 2.359 59 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 59 S C 2.038 176.735 174.600 0.161 0.000 1.035 59 S CA 1.780 60.107 58.200 0.211 0.000 1.018 59 S CB -0.461 62.946 63.200 0.346 0.000 0.876 59 S HN 0.498 nan 8.310 nan 0.000 0.448 60 L N -0.098 121.232 121.223 0.177 0.000 2.083 60 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 60 L C 2.320 179.222 176.870 0.053 0.000 1.083 60 L CA 1.536 56.429 54.840 0.090 0.000 0.752 60 L CB -0.624 41.501 42.059 0.109 0.000 0.899 60 L HN 0.384 nan 8.230 nan 0.000 0.433 61 F N 0.720 120.668 119.950 -0.004 0.000 2.075 61 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 61 F C 2.635 178.388 175.800 -0.078 0.000 1.113 61 F CA 1.817 59.800 58.000 -0.029 0.000 1.218 61 F CB -0.354 38.656 39.000 0.017 0.000 0.984 61 F HN -0.082 nan 8.300 nan 0.000 0.472 62 S N 0.378 116.016 115.700 -0.103 0.000 2.356 62 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 62 S C 2.342 176.821 174.600 -0.201 0.000 1.032 62 S CA 1.233 59.342 58.200 -0.150 0.000 1.005 62 S CB -1.361 61.910 63.200 0.117 0.000 0.867 62 S HN 0.627 nan 8.310 nan 0.000 0.449 63 G N 1.612 110.330 108.800 -0.135 0.000 2.440 63 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 63 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 63 G C 1.357 176.169 174.900 -0.147 0.000 1.154 63 G CA 0.704 45.736 45.100 -0.114 0.000 0.767 63 G HN 0.427 nan 8.290 nan 0.000 0.552 64 L N -0.133 120.872 121.223 -0.365 0.000 2.056 64 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 64 L C 3.067 179.428 176.870 -0.848 0.000 1.078 64 L CA 0.636 55.066 54.840 -0.683 0.000 0.749 64 L CB -0.273 41.391 42.059 -0.659 0.000 0.901 64 L HN 0.142 nan 8.230 nan 0.000 0.433 65 M N -1.374 117.760 119.600 -0.777 0.000 2.159 65 M HA -0.239 4.241 4.480 -0.000 0.000 0.263 65 M C 2.078 178.063 176.300 -0.525 0.000 1.063 65 M CA 1.614 56.392 55.300 -0.870 0.000 1.110 65 M CB -1.236 30.258 32.600 -1.843 0.000 1.374 65 M HN 0.456 nan 8.290 nan 0.000 0.411 66 W N 0.658 121.671 121.300 -0.480 0.000 2.354 66 W HA -0.264 4.396 4.660 -0.000 0.000 0.315 66 W C 2.208 178.592 176.519 -0.225 0.000 1.206 66 W CA 1.418 58.623 57.345 -0.233 0.000 1.290 66 W CB -0.978 28.364 29.460 -0.196 0.000 1.152 66 W HN 0.163 nan 8.180 nan 0.000 0.489 67 F N 0.111 119.719 119.950 -0.569 0.000 2.095 67 F HA -0.164 4.363 4.527 0.000 0.000 0.298 67 F C 2.252 177.803 175.800 -0.414 0.000 1.104 67 F CA 2.164 59.715 58.000 -0.747 0.000 1.232 67 F CB -1.053 37.618 39.000 -0.549 0.000 0.987 67 F HN -0.094 nan 8.300 nan 0.000 0.475 68 F N -0.730 119.078 119.950 -0.238 0.000 2.186 68 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 68 F C 2.379 178.044 175.800 -0.225 0.000 1.090 68 F CA 1.041 58.904 58.000 -0.227 0.000 1.307 68 F CB -0.878 38.042 39.000 -0.134 0.000 1.019 68 F HN -0.132 nan 8.300 nan 0.000 0.489 69 T N 1.061 115.588 114.554 -0.046 0.000 2.708 69 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 69 T C 1.903 176.558 174.700 -0.076 0.000 1.037 69 T CA 1.392 63.485 62.100 -0.012 0.000 1.146 69 T CB -0.427 68.459 68.868 0.029 0.000 0.865 69 T HN 0.177 nan 8.240 nan 0.000 0.435 70 I N 1.093 121.457 120.570 -0.343 0.000 2.226 70 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 70 I C 2.915 178.747 176.117 -0.475 0.000 1.100 70 I CA 1.307 62.346 61.300 -0.435 0.000 1.374 70 I CB -0.777 36.714 38.000 -0.849 0.000 1.057 70 I HN 0.311 nan 8.210 nan 0.000 0.413 71 G N 1.054 109.547 108.800 -0.513 0.000 2.418 71 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 71 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 71 G C 1.663 176.645 174.900 0.136 0.000 1.158 71 G CA 0.635 45.563 45.100 -0.287 0.000 0.771 71 G HN 0.283 nan 8.290 nan 0.000 0.545 72 I N -0.217 120.451 120.570 0.163 0.000 2.286 72 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 72 I C 2.302 178.580 176.117 0.267 0.000 1.115 72 I CA 0.852 62.312 61.300 0.266 0.000 1.392 72 I CB -0.277 37.857 38.000 0.223 0.000 1.065 72 I HN 0.479 nan 8.210 nan 0.000 0.418 73 W N -0.015 121.350 121.300 0.108 0.000 2.388 73 W HA -0.279 4.381 4.660 -0.000 0.000 0.294 73 W C 1.991 178.618 176.519 0.180 0.000 1.212 73 W CA 1.024 58.469 57.345 0.167 0.000 1.271 73 W CB -0.385 29.204 29.460 0.214 0.000 1.126 73 W HN 0.117 nan 8.180 nan 0.000 0.535 74 F N -0.333 119.497 119.950 -0.202 0.000 2.134 74 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 74 F C 2.058 177.305 175.800 -0.921 0.000 1.097 74 F CA 1.203 58.789 58.000 -0.689 0.000 1.264 74 F CB -1.632 37.120 39.000 -0.414 0.000 1.001 74 F HN -0.110 nan 8.300 nan 0.000 0.479 75 W N -1.380 119.752 121.300 -0.281 0.000 2.358 75 W HA -0.244 4.416 4.660 -0.000 0.000 0.303 75 W C 2.602 178.465 176.519 -1.093 0.000 1.208 75 W CA 1.671 58.705 57.345 -0.517 0.000 1.274 75 W CB -1.126 28.078 29.460 -0.427 0.000 1.138 75 W HN 0.056 nan 8.180 nan 0.000 0.515 76 Y N 1.477 121.090 120.300 -1.146 0.000 2.070 76 Y HA -0.358 4.192 4.550 -0.000 0.000 0.280 76 Y C 2.341 177.689 175.900 -0.921 0.000 1.148 76 Y CA 2.346 59.671 58.100 -1.292 0.000 1.125 76 Y CB -0.956 37.023 38.460 -0.800 0.000 0.975 76 Y HN 0.037 nan 8.280 nan 0.000 0.492 77 Q N -0.373 118.809 119.800 -1.029 0.000 2.234 77 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 77 Q C 2.158 177.836 176.000 -0.536 0.000 0.980 77 Q CA 1.252 56.558 55.803 -0.829 0.000 0.869 77 Q CB -0.382 27.971 28.738 -0.641 0.000 0.912 77 Q HN 0.611 nan 8.270 nan 0.000 0.436 78 A N 0.227 122.665 122.820 -0.637 0.000 2.238 78 A HA 0.287 4.607 4.320 -0.000 0.000 0.208 78 A C 1.445 178.906 177.584 -0.205 0.000 1.177 78 A CA 0.654 52.539 52.037 -0.254 0.000 0.804 78 A CB -0.313 18.556 19.000 -0.218 0.000 0.823 78 A HN 0.442 nan 8.150 nan 0.000 0.482 79 G N -2.327 106.225 108.800 -0.413 0.000 2.198 79 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 79 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 79 G C 0.265 175.193 174.900 0.045 0.000 1.025 79 G CA 0.216 45.178 45.100 -0.229 0.000 0.769 79 G HN 1.118 nan 8.290 nan 0.000 0.507 80 W N -2.111 119.272 121.300 0.139 0.000 4.233 80 W HA -0.201 4.459 4.660 -0.000 0.000 0.328 80 W C 0.625 177.316 176.519 0.287 0.000 1.212 80 W CA 0.335 57.836 57.345 0.261 0.000 0.752 80 W CB -1.959 27.556 29.460 0.092 0.000 2.277 80 W HN 0.593 nan 8.180 nan 0.000 1.465 81 N N 0.922 119.838 118.700 0.360 0.000 2.439 81 N HA 0.185 4.925 4.740 -0.000 0.000 0.249 81 N C -1.154 174.564 175.510 0.346 0.000 1.003 81 N CA -1.717 51.507 53.050 0.291 0.000 0.942 81 N CB 1.517 40.100 38.487 0.160 0.000 1.115 81 N HN -0.235 nan 8.380 nan 0.000 0.505 82 P HA -0.142 nan 4.420 nan 0.000 0.215 82 P C 0.852 178.299 177.300 0.245 0.000 1.157 82 P CA 1.603 64.951 63.100 0.413 0.000 0.874 82 P CB 0.277 32.179 31.700 0.336 0.000 0.790 83 A N -0.888 122.036 122.820 0.172 0.000 1.902 83 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 83 A C 2.310 179.940 177.584 0.077 0.000 1.181 83 A CA 1.785 53.886 52.037 0.107 0.000 0.623 83 A CB -1.637 17.406 19.000 0.073 0.000 0.818 83 A HN 0.049 nan 8.150 nan 0.000 0.443 84 V N -1.309 118.658 119.914 0.088 0.000 2.453 84 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 84 V C 2.218 178.376 176.094 0.107 0.000 1.048 84 V CA 1.794 64.129 62.300 0.057 0.000 1.049 84 V CB -0.972 30.889 31.823 0.063 0.000 0.672 84 V HN 0.612 nan 8.190 nan 0.000 0.457 85 F N 0.706 120.617 119.950 -0.065 0.000 2.091 85 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 85 F C 2.017 177.806 175.800 -0.018 0.000 1.103 85 F CA 1.865 59.759 58.000 -0.177 0.000 1.228 85 F CB -0.210 38.296 39.000 -0.823 0.000 0.984 85 F HN 0.035 nan 8.300 nan 0.000 0.477 86 L N -0.384 120.849 121.223 0.017 0.000 2.109 86 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 86 L C 2.681 179.467 176.870 -0.139 0.000 1.086 86 L CA 1.216 56.019 54.840 -0.061 0.000 0.760 86 L CB -0.700 41.390 42.059 0.052 0.000 0.910 86 L HN 0.099 nan 8.230 nan 0.000 0.437 87 R N 0.489 120.921 120.500 -0.114 0.000 2.073 87 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 87 R C 0.706 176.857 176.300 -0.249 0.000 1.134 87 R CA 1.865 57.869 56.100 -0.159 0.000 0.952 87 R CB 0.036 30.250 30.300 -0.143 0.000 0.850 87 R HN 0.302 nan 8.270 nan 0.000 0.433 88 D N 0.578 120.748 120.400 -0.383 0.000 2.388 88 D HA -0.014 4.626 4.640 -0.000 0.000 0.221 88 D C 1.319 177.119 176.300 -0.834 0.000 1.133 88 D CA -0.131 53.491 54.000 -0.631 0.000 0.831 88 D CB 0.462 40.642 40.800 -1.032 0.000 0.962 88 D HN 0.127 nan 8.370 nan 0.000 0.502 89 L N 0.236 121.184 121.223 -0.459 0.000 2.034 89 L HA -0.228 4.112 4.340 -0.000 0.000 0.217 89 L C 1.532 178.349 176.870 -0.089 0.000 1.077 89 L CA 1.788 56.469 54.840 -0.265 0.000 0.769 89 L CB -0.515 41.419 42.059 -0.209 0.000 0.890 89 L HN -0.038 nan 8.230 nan 0.000 0.435 90 F N -1.560 118.095 119.950 -0.492 0.000 2.604 90 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 90 F C 1.893 177.105 175.800 -0.980 0.000 1.131 90 F CA 0.336 57.803 58.000 -0.888 0.000 1.457 90 F CB -0.899 37.157 39.000 -1.573 0.000 1.095 90 F HN 0.072 nan 8.300 nan 0.000 0.574 91 F N -1.926 117.716 119.950 -0.513 0.000 2.619 91 F HA 0.119 4.646 4.527 -0.000 0.000 0.293 91 F C 0.896 176.445 175.800 -0.419 0.000 1.119 91 F CA -0.481 57.307 58.000 -0.353 0.000 1.445 91 F CB -0.835 37.947 39.000 -0.364 0.000 1.119 91 F HN -0.344 nan 8.300 nan 0.000 0.573 92 F N 0.459 120.198 119.950 -0.351 0.000 2.490 92 F HA 0.354 4.881 4.527 -0.000 0.000 0.336 92 F C 0.767 176.258 175.800 -0.515 0.000 1.178 92 F CA -0.524 57.037 58.000 -0.732 0.000 1.301 92 F CB 0.315 38.227 39.000 -1.812 0.000 1.175 92 F HN -0.299 nan 8.300 nan 0.000 0.593 93 S N 2.215 117.989 115.700 0.123 0.000 2.563 93 S HA 0.401 4.871 4.470 -0.000 0.000 0.279 93 S C -1.581 173.422 174.600 0.672 0.000 1.155 93 S CA -0.836 57.630 58.200 0.443 0.000 0.928 93 S CB 0.712 64.102 63.200 0.317 0.000 1.107 93 S HN 0.665 nan 8.310 nan 0.000 0.462 94 L N 4.592 126.205 121.223 0.650 0.000 2.270 94 L HA 0.500 4.840 4.340 -0.000 0.000 0.286 94 L C -0.187 176.892 176.870 0.348 0.000 1.059 94 L CA -0.380 54.664 54.840 0.341 0.000 0.839 94 L CB 0.462 42.757 42.059 0.393 0.000 1.221 94 L HN 0.705 nan 8.230 nan 0.000 0.431 95 E N 5.340 125.629 120.200 0.149 0.000 2.319 95 E HA 0.375 4.725 4.350 -0.000 0.000 0.268 95 E C -2.314 174.136 176.600 -0.251 0.000 1.050 95 E CA -1.859 54.540 56.400 -0.002 0.000 0.878 95 E CB 0.912 30.637 29.700 0.043 0.000 1.066 95 E HN 0.377 nan 8.360 nan 0.000 0.406 96 P HA 0.218 nan 4.420 nan 0.000 0.277 96 P C -2.492 174.597 177.300 -0.352 0.000 1.271 96 P CA -1.311 61.116 63.100 -1.122 0.000 0.795 96 P CB -0.317 30.486 31.700 -1.496 0.000 1.101 97 P HA 0.117 nan 4.420 nan 0.000 0.269 97 P C -0.489 176.893 177.300 0.137 0.000 1.215 97 P CA 0.170 63.319 63.100 0.081 0.000 0.780 97 P CB 0.141 31.951 31.700 0.184 0.000 0.898 98 A N 4.771 127.754 122.820 0.272 0.000 2.406 98 A HA 0.214 4.534 4.320 -0.000 0.000 0.243 98 A C -1.283 176.342 177.584 0.069 0.000 1.082 98 A CA -0.710 51.405 52.037 0.129 0.000 0.786 98 A CB -1.138 17.914 19.000 0.086 0.000 1.029 98 A HN 0.440 nan 8.150 nan 0.000 0.495 99 P HA -0.213 nan 4.420 nan 0.000 0.216 99 P C 0.922 178.165 177.300 -0.095 0.000 1.150 99 P CA 1.946 65.018 63.100 -0.047 0.000 0.843 99 P CB -0.008 31.659 31.700 -0.056 0.000 0.787 100 E N -1.232 118.861 120.200 -0.179 0.000 2.108 100 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 100 E C 1.601 178.027 176.600 -0.290 0.000 1.022 100 E CA 1.467 57.687 56.400 -0.301 0.000 0.823 100 E CB -1.094 28.299 29.700 -0.510 0.000 0.744 100 E HN 0.407 nan 8.360 nan 0.000 0.456 101 Y N 0.927 121.212 120.300 -0.024 0.000 2.616 101 Y HA 0.026 4.576 4.550 -0.000 0.000 0.296 101 Y C 1.884 177.735 175.900 -0.081 0.000 1.154 101 Y CA 0.591 58.678 58.100 -0.022 0.000 1.325 101 Y CB -0.783 37.695 38.460 0.030 0.000 1.007 101 Y HN 0.195 nan 8.280 nan 0.000 0.542 102 G N 0.889 109.676 108.800 -0.021 0.000 2.672 102 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.324 102 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.324 102 G C 0.700 175.394 174.900 -0.342 0.000 1.286 102 G CA 0.778 45.780 45.100 -0.164 0.000 1.004 102 G HN 0.327 nan 8.290 nan 0.000 0.548 103 L N 2.043 122.969 121.223 -0.494 0.000 2.700 103 L HA 0.328 4.668 4.340 -0.000 0.000 0.234 103 L C 1.821 178.379 176.870 -0.520 0.000 1.156 103 L CA 0.456 54.748 54.840 -0.913 0.000 0.946 103 L CB -0.114 41.414 42.059 -0.885 0.000 1.216 103 L HN 0.657 nan 8.230 nan 0.000 0.493 104 S N -0.869 114.670 115.700 -0.267 0.000 2.641 104 S HA 0.265 4.735 4.470 -0.000 0.000 0.261 104 S C 0.155 174.582 174.600 -0.289 0.000 1.257 104 S CA -0.173 57.885 58.200 -0.238 0.000 0.983 104 S CB 0.524 63.715 63.200 -0.014 0.000 0.990 104 S HN 0.128 nan 8.310 nan 0.000 0.572 105 F N -0.763 119.289 119.950 0.169 0.000 2.735 105 F HA 0.521 5.048 4.527 -0.000 0.000 0.308 105 F C 1.699 177.502 175.800 0.005 0.000 1.112 105 F CA -0.443 57.614 58.000 0.095 0.000 1.235 105 F CB -0.298 38.735 39.000 0.055 0.000 1.027 105 F HN 0.715 nan 8.300 nan 0.000 0.528 106 A N 0.263 123.148 122.820 0.109 0.000 2.169 106 A HA 0.485 4.805 4.320 -0.000 0.000 0.212 106 A C 1.566 179.049 177.584 -0.168 0.000 1.153 106 A CA 0.478 52.538 52.037 0.037 0.000 0.756 106 A CB -0.633 18.433 19.000 0.109 0.000 0.813 106 A HN 0.169 nan 8.150 nan 0.000 0.471 107 A N 1.160 123.699 122.820 -0.468 0.000 2.540 107 A HA 0.453 4.773 4.320 -0.000 0.000 0.239 107 A C -2.212 175.157 177.584 -0.358 0.000 1.061 107 A CA -0.791 50.676 52.037 -0.951 0.000 0.758 107 A CB -0.460 17.972 19.000 -0.946 0.000 0.991 107 A HN 0.268 nan 8.150 nan 0.000 0.502 108 P HA 0.064 nan 4.420 nan 0.000 0.268 108 P C 1.005 178.271 177.300 -0.057 0.000 1.208 108 P CA -0.283 62.774 63.100 -0.072 0.000 0.777 108 P CB 0.397 32.100 31.700 0.006 0.000 0.875 109 L N 1.516 122.729 121.223 -0.017 0.000 2.013 109 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 109 L C 1.880 178.719 176.870 -0.052 0.000 1.073 109 L CA 1.927 56.757 54.840 -0.017 0.000 0.753 109 L CB -0.630 41.438 42.059 0.016 0.000 0.890 109 L HN 0.459 nan 8.230 nan 0.000 0.432 110 K N -0.138 120.268 120.400 0.009 0.000 2.486 110 K HA -0.029 4.291 4.320 -0.000 0.000 0.194 110 K C 0.273 176.865 176.600 -0.013 0.000 1.033 110 K CA 0.559 56.870 56.287 0.041 0.000 1.004 110 K CB 0.147 32.815 32.500 0.279 0.000 0.798 110 K HN 0.401 nan 8.250 nan 0.000 0.495 111 E N -0.315 119.875 120.200 -0.016 0.000 3.646 111 E HA 0.171 4.521 4.350 -0.000 0.000 0.211 111 E C 0.308 176.887 176.600 -0.035 0.000 1.034 111 E CA -0.215 56.195 56.400 0.017 0.000 1.341 111 E CB 1.273 31.034 29.700 0.102 0.000 1.202 111 E HN 0.341 nan 8.360 nan 0.000 0.447 112 G N 0.276 109.038 108.800 -0.063 0.000 2.699 112 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.198 112 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.198 112 G C 1.151 176.088 174.900 0.063 0.000 1.033 112 G CA -0.172 44.925 45.100 -0.004 0.000 0.728 112 G HN 0.431 nan 8.290 nan 0.000 0.484 113 G N 0.875 109.666 108.800 -0.015 0.000 2.440 113 G HA2 0.040 4.000 3.960 -0.000 0.000 0.218 113 G HA3 0.040 4.000 3.960 -0.000 0.000 0.218 113 G C 1.776 176.696 174.900 0.033 0.000 1.154 113 G CA 1.720 46.829 45.100 0.015 0.000 0.767 113 G HN 0.878 nan 8.290 nan 0.000 0.552 114 L N -0.746 120.473 121.223 -0.007 0.000 2.141 114 L HA 0.114 4.454 4.340 -0.000 0.000 0.209 114 L C 2.369 179.272 176.870 0.055 0.000 1.094 114 L CA 1.347 56.182 54.840 -0.009 0.000 0.763 114 L CB -0.495 41.495 42.059 -0.115 0.000 0.908 114 L HN 0.494 nan 8.230 nan 0.000 0.437 115 W N -0.494 120.762 121.300 -0.074 0.000 2.388 115 W HA -0.173 4.487 4.660 -0.000 0.000 0.294 115 W C 2.101 178.674 176.519 0.089 0.000 1.212 115 W CA 1.530 58.910 57.345 0.057 0.000 1.271 115 W CB -0.075 29.392 29.460 0.011 0.000 1.126 115 W HN 0.081 nan 8.180 nan 0.000 0.535 116 L N 0.136 121.485 121.223 0.211 0.000 2.056 116 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 116 L C 2.402 179.193 176.870 -0.130 0.000 1.078 116 L CA 1.296 56.129 54.840 -0.013 0.000 0.749 116 L CB -0.732 41.387 42.059 0.100 0.000 0.901 116 L HN 0.020 nan 8.230 nan 0.000 0.433 117 I N -0.252 120.273 120.570 -0.075 0.000 2.142 117 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 117 I C 2.830 178.933 176.117 -0.023 0.000 1.078 117 I CA 1.223 62.459 61.300 -0.107 0.000 1.343 117 I CB -0.530 37.459 38.000 -0.019 0.000 1.046 117 I HN 0.195 nan 8.210 nan 0.000 0.405 118 A N 0.264 123.117 122.820 0.054 0.000 1.917 118 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 118 A C 2.480 180.143 177.584 0.132 0.000 1.182 118 A CA 2.449 54.568 52.037 0.137 0.000 0.633 118 A CB -0.846 18.077 19.000 -0.128 0.000 0.819 118 A HN 0.417 nan 8.150 nan 0.000 0.448 119 S N -1.303 114.307 115.700 -0.150 0.000 2.382 119 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 119 S C 1.631 176.212 174.600 -0.031 0.000 1.027 119 S CA 1.367 59.453 58.200 -0.189 0.000 0.991 119 S CB -0.495 62.299 63.200 -0.677 0.000 0.823 119 S HN 0.632 nan 8.310 nan 0.000 0.469 120 F N 1.798 121.624 119.950 -0.206 0.000 2.102 120 F HA -0.092 4.435 4.527 0.000 0.000 0.298 120 F C 1.643 177.421 175.800 -0.036 0.000 1.105 120 F CA 1.164 59.045 58.000 -0.199 0.000 1.239 120 F CB -0.489 38.271 39.000 -0.400 0.000 0.991 120 F HN 0.110 nan 8.300 nan 0.000 0.474 121 F N 0.008 119.960 119.950 0.004 0.000 2.134 121 F HA -0.218 4.309 4.527 0.000 0.000 0.299 121 F C 2.663 178.384 175.800 -0.132 0.000 1.097 121 F CA 1.734 59.691 58.000 -0.072 0.000 1.264 121 F CB -1.057 37.967 39.000 0.039 0.000 1.001 121 F HN 0.064 nan 8.300 nan 0.000 0.479 122 M N -1.267 118.350 119.600 0.028 0.000 2.175 122 M HA -0.226 4.254 4.480 -0.000 0.000 0.264 122 M C 2.255 178.542 176.300 -0.022 0.000 1.063 122 M CA 1.654 56.773 55.300 -0.303 0.000 1.119 122 M CB -0.414 31.800 32.600 -0.642 0.000 1.377 122 M HN 0.171 nan 8.290 nan 0.000 0.415 123 F N 0.288 120.236 119.950 -0.004 0.000 2.102 123 F HA -0.205 4.322 4.527 0.000 0.000 0.298 123 F C 1.818 177.681 175.800 0.105 0.000 1.105 123 F CA 1.813 59.912 58.000 0.165 0.000 1.239 123 F CB -0.348 38.624 39.000 -0.047 0.000 0.991 123 F HN -0.080 nan 8.300 nan 0.000 0.474 124 V N 0.255 120.202 119.914 0.055 0.000 2.358 124 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 124 V C 2.694 178.806 176.094 0.030 0.000 1.047 124 V CA 1.651 63.956 62.300 0.008 0.000 1.035 124 V CB -1.503 30.252 31.823 -0.112 0.000 0.658 124 V HN 0.462 nan 8.190 nan 0.000 0.452 125 A N -0.113 122.694 122.820 -0.021 0.000 1.877 125 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 125 A C 2.392 179.931 177.584 -0.076 0.000 1.186 125 A CA 2.224 54.236 52.037 -0.041 0.000 0.620 125 A CB -0.691 18.223 19.000 -0.143 0.000 0.822 125 A HN 0.334 nan 8.150 nan 0.000 0.443 126 V N -2.440 117.303 119.914 -0.286 0.000 2.307 126 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 126 V C 2.251 178.163 176.094 -0.303 0.000 1.045 126 V CA 1.715 63.730 62.300 -0.476 0.000 1.024 126 V CB -1.011 30.056 31.823 -1.258 0.000 0.651 126 V HN 0.790 nan 8.190 nan 0.000 0.449 127 W N 0.811 121.972 121.300 -0.232 0.000 2.402 127 W HA -0.159 4.501 4.660 0.000 0.000 0.286 127 W C 2.899 179.459 176.519 0.068 0.000 1.221 127 W CA 1.364 58.622 57.345 -0.144 0.000 1.257 127 W CB -0.340 28.912 29.460 -0.347 0.000 1.120 127 W HN 0.360 nan 8.180 nan 0.000 0.551 128 S N -1.158 114.700 115.700 0.264 0.000 2.406 128 S HA -0.215 4.255 4.470 -0.000 0.000 0.228 128 S C 1.650 176.370 174.600 0.199 0.000 1.020 128 S CA 0.734 59.061 58.200 0.213 0.000 0.965 128 S CB -1.145 62.155 63.200 0.166 0.000 0.798 128 S HN 0.477 nan 8.310 nan 0.000 0.488 129 W N 0.919 122.267 121.300 0.081 0.000 2.388 129 W HA -0.059 4.601 4.660 -0.000 0.000 0.294 129 W C 1.872 178.512 176.519 0.201 0.000 1.212 129 W CA 0.881 58.275 57.345 0.081 0.000 1.271 129 W CB -0.451 29.031 29.460 0.037 0.000 1.126 129 W HN 0.500 nan 8.180 nan 0.000 0.535 130 W N 1.607 123.072 121.300 0.275 0.000 2.355 130 W HA -0.101 4.559 4.660 0.000 0.000 0.309 130 W C 2.480 179.031 176.519 0.055 0.000 1.206 130 W CA 3.341 60.804 57.345 0.197 0.000 1.284 130 W CB -0.906 28.474 29.460 -0.133 0.000 1.145 130 W HN -0.111 nan 8.180 nan 0.000 0.502 131 G N 0.389 109.221 108.800 0.053 0.000 2.442 131 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.219 131 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.219 131 G C 1.626 176.338 174.900 -0.313 0.000 1.141 131 G CA 1.147 46.135 45.100 -0.187 0.000 0.763 131 G HN 0.345 nan 8.290 nan 0.000 0.554 132 R N 0.406 120.713 120.500 -0.321 0.000 2.081 132 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 132 R C 2.876 178.857 176.300 -0.532 0.000 1.131 132 R CA 2.161 57.983 56.100 -0.463 0.000 0.960 132 R CB -0.644 29.233 30.300 -0.705 0.000 0.856 132 R HN 0.479 nan 8.270 nan 0.000 0.436 133 T N -2.134 112.085 114.554 -0.557 0.000 2.867 133 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 133 T C 1.798 176.199 174.700 -0.498 0.000 1.057 133 T CA 1.180 62.988 62.100 -0.486 0.000 1.136 133 T CB -0.520 68.138 68.868 -0.350 0.000 0.874 133 T HN 0.438 nan 8.240 nan 0.000 0.466 134 Y N 1.661 121.522 120.300 -0.732 0.000 2.184 134 Y HA 0.217 4.767 4.550 0.000 0.000 0.290 134 Y C 2.172 177.784 175.900 -0.481 0.000 1.129 134 Y CA 0.998 58.671 58.100 -0.712 0.000 1.144 134 Y CB -0.247 37.644 38.460 -0.948 0.000 0.995 134 Y HN 0.111 nan 8.280 nan 0.000 0.513 135 L N -0.332 120.747 121.223 -0.240 0.000 2.093 135 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 135 L C 2.446 179.106 176.870 -0.350 0.000 1.085 135 L CA 0.868 55.570 54.840 -0.230 0.000 0.755 135 L CB -0.461 41.486 42.059 -0.185 0.000 0.904 135 L HN 0.111 nan 8.230 nan 0.000 0.435 136 R N 0.212 120.463 120.500 -0.414 0.000 2.115 136 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 136 R C 2.234 178.317 176.300 -0.362 0.000 1.111 136 R CA 1.322 57.160 56.100 -0.436 0.000 0.976 136 R CB -0.856 29.186 30.300 -0.429 0.000 0.870 136 R HN 0.348 nan 8.270 nan 0.000 0.445 137 A N 0.682 123.273 122.820 -0.382 0.000 1.898 137 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 137 A C 2.175 179.559 177.584 -0.333 0.000 1.183 137 A CA 1.162 52.990 52.037 -0.347 0.000 0.622 137 A CB -0.404 18.352 19.000 -0.406 0.000 0.824 137 A HN 0.353 nan 8.150 nan 0.000 0.444 138 Q N -0.289 119.270 119.800 -0.401 0.000 2.096 138 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 138 Q C 2.079 177.954 176.000 -0.209 0.000 0.982 138 Q CA 1.686 57.302 55.803 -0.311 0.000 0.850 138 Q CB -0.351 28.213 28.738 -0.288 0.000 0.901 138 Q HN 0.580 nan 8.270 nan 0.000 0.422 139 A N 0.279 122.966 122.820 -0.221 0.000 2.070 139 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 139 A C 1.715 179.208 177.584 -0.153 0.000 1.159 139 A CA 0.902 52.830 52.037 -0.181 0.000 0.656 139 A CB -0.240 18.618 19.000 -0.236 0.000 0.800 139 A HN 0.456 nan 8.150 nan 0.000 0.453 140 L N -1.577 119.545 121.223 -0.169 0.000 2.640 140 L HA 0.260 4.600 4.340 -0.000 0.000 0.230 140 L C 1.542 178.344 176.870 -0.113 0.000 1.123 140 L CA 0.418 55.178 54.840 -0.133 0.000 0.900 140 L CB 0.068 42.041 42.059 -0.143 0.000 1.146 140 L HN 0.512 nan 8.230 nan 0.000 0.484 141 G N 0.560 109.287 108.800 -0.121 0.000 2.153 141 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 141 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 141 G C 0.249 175.091 174.900 -0.096 0.000 0.994 141 G CA 0.294 45.335 45.100 -0.098 0.000 0.698 141 G HN 0.280 nan 8.290 nan 0.000 0.521 142 M N 0.317 119.842 119.600 -0.126 0.000 2.283 142 M HA 0.537 5.017 4.480 -0.000 0.000 0.314 142 M C 1.427 177.668 176.300 -0.099 0.000 1.153 142 M CA 0.083 55.321 55.300 -0.104 0.000 1.084 142 M CB 0.772 33.299 32.600 -0.122 0.000 1.468 142 M HN 0.209 nan 8.290 nan 0.000 0.474 143 G N 0.632 109.432 108.800 -0.001 0.000 2.699 143 G HA2 0.128 4.088 3.960 -0.000 0.000 0.246 143 G HA3 0.128 4.088 3.960 -0.000 0.000 0.246 143 G C 0.187 175.070 174.900 -0.028 0.000 1.219 143 G CA -0.536 44.612 45.100 0.081 0.000 0.866 143 G HN 0.634 nan 8.290 nan 0.000 0.572 144 K N -0.087 120.230 120.400 -0.138 0.000 2.570 144 K HA 0.116 4.436 4.320 -0.000 0.000 0.210 144 K C 1.308 177.744 176.600 -0.273 0.000 1.048 144 K CA -0.167 55.903 56.287 -0.361 0.000 1.167 144 K CB 0.002 32.191 32.500 -0.518 0.000 0.892 144 K HN 0.600 nan 8.250 nan 0.000 0.480 145 H N 0.377 119.422 119.070 -0.041 0.000 2.353 145 H HA -0.101 4.455 4.556 0.000 0.000 0.298 145 H C 1.724 177.037 175.328 -0.025 0.000 1.103 145 H CA 2.114 58.187 56.048 0.041 0.000 1.293 145 H CB -0.292 29.469 29.762 -0.002 0.000 1.372 145 H HN 0.092 nan 8.280 nan 0.000 0.501 146 T N 0.225 114.786 114.554 0.013 0.000 2.708 146 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 146 T C 2.396 177.083 174.700 -0.022 0.000 1.037 146 T CA 1.352 63.432 62.100 -0.034 0.000 1.146 146 T CB -0.559 68.243 68.868 -0.110 0.000 0.865 146 T HN 0.535 nan 8.240 nan 0.000 0.435 147 A N 0.381 123.072 122.820 -0.216 0.000 1.933 147 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 147 A C 2.123 179.781 177.584 0.123 0.000 1.175 147 A CA 1.266 53.147 52.037 -0.260 0.000 0.628 147 A CB -1.122 17.407 19.000 -0.784 0.000 0.814 147 A HN 0.742 nan 8.150 nan 0.000 0.444 148 W N -0.576 120.866 121.300 0.237 0.000 2.418 148 W HA 0.049 4.709 4.660 -0.000 0.000 0.292 148 W C 2.711 179.293 176.519 0.105 0.000 1.213 148 W CA 0.518 57.972 57.345 0.181 0.000 1.283 148 W CB 0.004 29.482 29.460 0.030 0.000 1.119 148 W HN 0.388 nan 8.180 nan 0.000 0.542 149 A N 0.051 123.033 122.820 0.270 0.000 1.898 149 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 149 A C 1.735 179.471 177.584 0.254 0.000 1.181 149 A CA 1.157 53.282 52.037 0.146 0.000 0.620 149 A CB -1.133 17.905 19.000 0.064 0.000 0.819 149 A HN 0.326 nan 8.150 nan 0.000 0.442 150 F N 0.404 120.431 119.950 0.128 0.000 2.171 150 F HA -0.119 4.408 4.527 0.000 0.000 0.300 150 F C 1.730 177.619 175.800 0.147 0.000 1.090 150 F CA 1.193 59.274 58.000 0.134 0.000 1.293 150 F CB -0.647 38.461 39.000 0.180 0.000 1.013 150 F HN 0.195 nan 8.300 nan 0.000 0.486 151 L N -0.292 121.071 121.223 0.233 0.000 2.131 151 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 151 L C 2.665 179.564 176.870 0.048 0.000 1.092 151 L CA 2.001 56.833 54.840 -0.013 0.000 0.759 151 L CB -1.197 40.987 42.059 0.209 0.000 0.903 151 L HN 0.239 nan 8.230 nan 0.000 0.435 152 S N -1.139 114.638 115.700 0.129 0.000 2.368 152 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 152 S C 2.143 176.870 174.600 0.212 0.000 1.029 152 S CA 1.102 59.397 58.200 0.157 0.000 0.988 152 S CB -0.293 62.969 63.200 0.103 0.000 0.838 152 S HN 0.610 nan 8.310 nan 0.000 0.462 153 A N 1.341 124.259 122.820 0.163 0.000 1.898 153 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 153 A C 2.098 179.737 177.584 0.092 0.000 1.181 153 A CA 1.316 53.442 52.037 0.148 0.000 0.620 153 A CB -0.759 18.357 19.000 0.192 0.000 0.819 153 A HN 0.609 nan 8.150 nan 0.000 0.442 154 I N -1.189 119.334 120.570 -0.078 0.000 2.335 154 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 154 I C 2.467 178.687 176.117 0.173 0.000 1.129 154 I CA 1.378 62.584 61.300 -0.156 0.000 1.402 154 I CB -0.300 37.270 38.000 -0.717 0.000 1.069 154 I HN 0.773 nan 8.210 nan 0.000 0.424 155 W N 1.660 122.951 121.300 -0.014 0.000 2.333 155 W HA -0.308 4.352 4.660 -0.000 0.000 0.316 155 W C 2.321 178.885 176.519 0.075 0.000 1.215 155 W CA 1.214 58.584 57.345 0.042 0.000 1.278 155 W CB -0.278 29.198 29.460 0.027 0.000 1.154 155 W HN 0.150 nan 8.180 nan 0.000 0.486 156 L N 1.032 122.220 121.223 -0.060 0.000 2.046 156 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 156 L C 2.301 179.120 176.870 -0.086 0.000 1.077 156 L CA 2.720 57.434 54.840 -0.211 0.000 0.747 156 L CB -1.656 40.389 42.059 -0.024 0.000 0.896 156 L HN 0.251 nan 8.230 nan 0.000 0.432 157 W N -0.231 120.985 121.300 -0.140 0.000 2.338 157 W HA -0.243 4.417 4.660 0.000 0.000 0.304 157 W C 2.230 178.707 176.519 -0.071 0.000 1.212 157 W CA 1.895 59.170 57.345 -0.116 0.000 1.264 157 W CB -0.232 29.135 29.460 -0.155 0.000 1.142 157 W HN 0.098 nan 8.180 nan 0.000 0.512 158 M N 0.041 119.520 119.600 -0.202 0.000 2.132 158 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 158 M C 1.961 178.166 176.300 -0.159 0.000 1.065 158 M CA 1.377 56.504 55.300 -0.287 0.000 1.122 158 M CB -1.572 31.069 32.600 0.068 0.000 1.365 158 M HN -0.025 nan 8.290 nan 0.000 0.411 159 V N 0.782 120.531 119.914 -0.275 0.000 2.287 159 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 159 V C 2.518 178.518 176.094 -0.157 0.000 1.053 159 V CA 1.546 63.658 62.300 -0.314 0.000 1.027 159 V CB -0.659 30.785 31.823 -0.631 0.000 0.646 159 V HN 0.396 nan 8.190 nan 0.000 0.447 160 L N 0.136 121.256 121.223 -0.171 0.000 2.017 160 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 160 L C 2.305 179.132 176.870 -0.073 0.000 1.073 160 L CA 1.954 56.723 54.840 -0.118 0.000 0.745 160 L CB -0.787 41.171 42.059 -0.168 0.000 0.894 160 L HN 0.486 nan 8.230 nan 0.000 0.432 161 G N -2.960 105.772 108.800 -0.113 0.000 3.159 161 G HA2 0.001 3.961 3.960 -0.000 0.000 0.232 161 G HA3 0.001 3.961 3.960 -0.000 0.000 0.232 161 G C 0.859 175.916 174.900 0.262 0.000 1.116 161 G CA -0.088 45.042 45.100 0.051 0.000 0.767 161 G HN 0.272 nan 8.290 nan 0.000 0.547 162 F N -0.328 119.629 119.950 0.013 0.000 2.102 162 F HA 0.353 4.880 4.527 -0.000 0.000 0.254 162 F C 2.095 177.985 175.800 0.151 0.000 0.975 162 F CA 0.012 58.109 58.000 0.161 0.000 1.176 162 F CB 0.099 39.141 39.000 0.070 0.000 1.358 162 F HN -0.043 nan 8.300 nan 0.000 0.728 163 I N 1.022 121.712 120.570 0.200 0.000 2.142 163 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 163 I C 2.541 178.644 176.117 -0.024 0.000 1.078 163 I CA 1.747 63.085 61.300 0.062 0.000 1.343 163 I CB -0.562 37.508 38.000 0.116 0.000 1.046 163 I HN 0.171 nan 8.210 nan 0.000 0.405 164 R N 0.984 121.484 120.500 0.000 0.000 2.073 164 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 164 R C -0.391 175.915 176.300 0.010 0.000 1.134 164 R CA 1.760 57.871 56.100 0.020 0.000 0.952 164 R CB -1.115 29.230 30.300 0.074 0.000 0.850 164 R HN 0.194 nan 8.270 nan 0.000 0.433 165 P HA -0.158 nan 4.420 nan 0.000 0.215 165 P C 1.084 178.254 177.300 -0.218 0.000 1.153 165 P CA 1.419 64.516 63.100 -0.005 0.000 0.853 165 P CB -0.023 31.785 31.700 0.180 0.000 0.788 166 I N -1.465 118.924 120.570 -0.301 0.000 2.179 166 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 166 I C 2.212 178.171 176.117 -0.263 0.000 1.088 166 I CA 1.382 62.427 61.300 -0.425 0.000 1.357 166 I CB -0.617 37.099 38.000 -0.472 0.000 1.051 166 I HN -0.092 nan 8.210 nan 0.000 0.409 167 L N -0.352 120.776 121.223 -0.160 0.000 2.141 167 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 167 L C 2.448 179.261 176.870 -0.095 0.000 1.094 167 L CA 0.849 55.628 54.840 -0.100 0.000 0.763 167 L CB -0.360 41.670 42.059 -0.047 0.000 0.908 167 L HN 0.314 nan 8.230 nan 0.000 0.437 168 M N -0.875 118.668 119.600 -0.094 0.000 2.506 168 M HA 0.104 4.584 4.480 -0.000 0.000 0.260 168 M C 1.596 177.822 176.300 -0.124 0.000 1.104 168 M CA 1.056 56.310 55.300 -0.076 0.000 1.112 168 M CB -0.697 31.887 32.600 -0.027 0.000 1.401 168 M HN 0.414 nan 8.290 nan 0.000 0.473 169 G N 1.508 110.191 108.800 -0.196 0.000 2.141 169 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.231 169 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.231 169 G C 0.109 174.827 174.900 -0.304 0.000 0.984 169 G CA 0.436 45.391 45.100 -0.241 0.000 0.660 169 G HN 0.703 nan 8.290 nan 0.000 0.525 170 S N -2.329 113.170 115.700 -0.335 0.000 2.556 170 S HA 0.476 4.946 4.470 -0.000 0.000 0.280 170 S C 0.299 174.746 174.600 -0.256 0.000 1.141 170 S CA -0.076 57.919 58.200 -0.342 0.000 0.883 170 S CB 0.304 63.406 63.200 -0.164 0.000 1.103 170 S HN 0.462 nan 8.310 nan 0.000 0.453 171 W N 1.667 122.914 121.300 -0.088 0.000 2.465 171 W HA -0.035 4.625 4.660 -0.000 0.000 0.268 171 W C 2.644 179.013 176.519 -0.250 0.000 1.242 171 W CA 0.633 57.899 57.345 -0.131 0.000 1.248 171 W CB -0.061 29.338 29.460 -0.103 0.000 1.118 171 W HN 0.943 nan 8.180 nan 0.000 0.587 172 S N 0.079 115.797 115.700 0.029 0.000 2.440 172 S HA -0.199 4.271 4.470 -0.000 0.000 0.238 172 S C 1.440 176.067 174.600 0.044 0.000 1.010 172 S CA 1.205 59.392 58.200 -0.022 0.000 0.972 172 S CB -0.294 62.908 63.200 0.003 0.000 0.774 172 S HN 0.246 nan 8.310 nan 0.000 0.501 173 E N 1.652 121.909 120.200 0.094 0.000 2.358 173 E HA 0.283 4.633 4.350 -0.000 0.000 0.195 173 E C 1.163 177.977 176.600 0.357 0.000 1.010 173 E CA 0.570 57.106 56.400 0.227 0.000 0.856 173 E CB -0.354 29.452 29.700 0.176 0.000 0.795 173 E HN 0.736 nan 8.360 nan 0.000 0.504 174 A N 0.952 123.867 122.820 0.158 0.000 2.310 174 A HA 0.276 4.595 4.320 -0.000 0.000 0.260 174 A C 0.400 177.843 177.584 -0.235 0.000 1.112 174 A CA -0.408 51.665 52.037 0.060 0.000 0.804 174 A CB 0.523 19.632 19.000 0.181 0.000 1.081 174 A HN -0.039 nan 8.150 nan 0.000 0.499 175 V N 2.345 121.956 119.914 -0.505 0.000 2.546 175 V HA 0.336 4.456 4.120 -0.000 0.000 0.284 175 V C -1.850 174.032 176.094 -0.352 0.000 1.050 175 V CA -1.098 60.675 62.300 -0.878 0.000 0.981 175 V CB 1.012 32.298 31.823 -0.895 0.000 0.990 175 V HN 0.859 nan 8.190 nan 0.000 0.474 176 P HA 0.243 nan 4.420 nan 0.000 0.279 176 P C -1.508 175.765 177.300 -0.045 0.000 1.252 176 P CA -0.464 62.611 63.100 -0.042 0.000 0.811 176 P CB 0.652 32.405 31.700 0.089 0.000 1.035 177 Y N 0.552 121.078 120.300 0.376 0.000 2.594 177 Y HA 0.589 5.139 4.550 -0.000 0.000 0.342 177 Y C 1.260 177.363 175.900 0.338 0.000 1.010 177 Y CA 0.325 58.587 58.100 0.269 0.000 1.270 177 Y CB 0.452 39.014 38.460 0.169 0.000 1.125 177 Y HN 0.557 nan 8.280 nan 0.000 0.513 178 G N 1.932 110.954 108.800 0.370 0.000 2.655 178 G HA2 0.315 4.275 3.960 -0.000 0.000 0.296 178 G HA3 0.315 4.275 3.960 -0.000 0.000 0.296 178 G C -0.090 174.926 174.900 0.194 0.000 1.485 178 G CA -0.768 44.554 45.100 0.370 0.000 0.869 178 G HN 0.231 nan 8.290 nan 0.000 0.540 179 I N 0.801 121.394 120.570 0.037 0.000 2.090 179 I HA -0.019 4.151 4.170 -0.000 0.000 0.236 179 I C 2.516 178.750 176.117 0.194 0.000 1.064 179 I CA 1.418 62.655 61.300 -0.106 0.000 1.324 179 I CB -0.977 36.567 38.000 -0.760 0.000 1.044 179 I HN 0.458 nan 8.210 nan 0.000 0.399 180 F N 1.746 121.671 119.950 -0.041 0.000 2.206 180 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 180 F C 2.998 178.833 175.800 0.058 0.000 1.090 180 F CA 1.097 59.068 58.000 -0.048 0.000 1.323 180 F CB -1.634 37.244 39.000 -0.203 0.000 1.028 180 F HN 0.186 nan 8.300 nan 0.000 0.492 181 S N 0.150 116.035 115.700 0.309 0.000 2.383 181 S HA -0.264 4.206 4.470 -0.000 0.000 0.229 181 S C 2.095 176.893 174.600 0.330 0.000 1.030 181 S CA 1.619 59.987 58.200 0.281 0.000 1.002 181 S CB -1.252 62.105 63.200 0.262 0.000 0.829 181 S HN 0.645 nan 8.310 nan 0.000 0.467 182 H N 1.946 121.134 119.070 0.197 0.000 2.495 182 H HA 0.186 4.742 4.556 -0.000 0.000 0.287 182 H C 1.881 177.365 175.328 0.261 0.000 1.033 182 H CA 1.072 57.241 56.048 0.201 0.000 1.307 182 H CB -0.577 29.254 29.762 0.114 0.000 1.401 182 H HN 0.444 nan 8.280 nan 0.000 0.555 183 L N 0.702 121.866 121.223 -0.099 0.000 2.044 183 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 183 L C 2.280 179.172 176.870 0.037 0.000 1.075 183 L CA 1.248 56.005 54.840 -0.138 0.000 0.747 183 L CB -0.322 41.700 42.059 -0.063 0.000 0.903 183 L HN 0.126 nan 8.230 nan 0.000 0.435 184 D N -0.526 119.934 120.400 0.101 0.000 2.149 184 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 184 D C 1.750 178.138 176.300 0.146 0.000 0.990 184 D CA 1.213 55.272 54.000 0.097 0.000 0.839 184 D CB -0.284 40.583 40.800 0.112 0.000 0.948 184 D HN 0.425 nan 8.370 nan 0.000 0.460 185 W N 1.784 123.119 121.300 0.058 0.000 2.358 185 W HA -0.213 4.447 4.660 -0.000 0.000 0.303 185 W C 2.231 178.813 176.519 0.104 0.000 1.208 185 W CA 2.149 59.550 57.345 0.092 0.000 1.274 185 W CB -0.371 29.156 29.460 0.111 0.000 1.138 185 W HN -0.154 nan 8.180 nan 0.000 0.515 186 T N 0.339 115.089 114.554 0.328 0.000 2.708 186 T HA -0.276 4.074 4.350 -0.000 0.000 0.266 186 T C 1.436 176.129 174.700 -0.011 0.000 1.037 186 T CA 1.760 63.952 62.100 0.153 0.000 1.146 186 T CB -0.688 68.266 68.868 0.145 0.000 0.865 186 T HN 0.245 nan 8.240 nan 0.000 0.435 187 N N 1.678 120.371 118.700 -0.011 0.000 2.058 187 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 187 N C 1.710 177.181 175.510 -0.065 0.000 1.037 187 N CA 1.763 54.788 53.050 -0.043 0.000 0.848 187 N CB -0.585 37.881 38.487 -0.035 0.000 1.021 187 N HN 0.315 nan 8.380 nan 0.000 0.422 188 N N -0.762 117.886 118.700 -0.086 0.000 2.104 188 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 188 N C 1.598 177.007 175.510 -0.168 0.000 1.024 188 N CA 1.207 54.179 53.050 -0.129 0.000 0.853 188 N CB -0.572 37.829 38.487 -0.143 0.000 1.008 188 N HN 0.326 nan 8.380 nan 0.000 0.424 189 F N 0.453 120.151 119.950 -0.421 0.000 2.126 189 F HA -0.145 4.382 4.527 0.000 0.000 0.299 189 F C 2.719 178.491 175.800 -0.047 0.000 1.096 189 F CA 1.669 59.452 58.000 -0.362 0.000 1.255 189 F CB -0.833 37.708 39.000 -0.764 0.000 0.997 189 F HN 0.094 nan 8.300 nan 0.000 0.479 190 S N 0.060 115.829 115.700 0.115 0.000 2.368 190 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 190 S C 2.149 176.748 174.600 -0.003 0.000 1.029 190 S CA 1.324 59.556 58.200 0.054 0.000 0.988 190 S CB -0.498 62.648 63.200 -0.090 0.000 0.838 190 S HN 0.417 nan 8.310 nan 0.000 0.462 191 L N 1.022 122.210 121.223 -0.057 0.000 2.012 191 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 191 L C 2.468 179.269 176.870 -0.116 0.000 1.073 191 L CA 1.150 55.947 54.840 -0.072 0.000 0.748 191 L CB -0.680 41.330 42.059 -0.082 0.000 0.891 191 L HN 0.225 nan 8.230 nan 0.000 0.431 192 V N -1.056 118.730 119.914 -0.214 0.000 2.626 192 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 192 V C 1.217 176.978 176.094 -0.555 0.000 1.067 192 V CA 1.538 63.599 62.300 -0.398 0.000 1.081 192 V CB -0.832 30.661 31.823 -0.549 0.000 0.686 192 V HN 0.493 nan 8.190 nan 0.000 0.468 193 H N -0.309 118.635 119.070 -0.210 0.000 2.524 193 H HA 0.465 5.021 4.556 -0.000 0.000 0.299 193 H C 1.478 176.850 175.328 0.073 0.000 1.074 193 H CA 0.414 56.386 56.048 -0.126 0.000 1.115 193 H CB -0.071 29.600 29.762 -0.153 0.000 1.522 193 H HN 0.361 nan 8.280 nan 0.000 0.543 194 G N 1.680 110.543 108.800 0.106 0.000 2.198 194 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 194 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 194 G C -0.087 175.024 174.900 0.352 0.000 1.025 194 G CA 0.331 45.552 45.100 0.202 0.000 0.769 194 G HN 0.811 nan 8.290 nan 0.000 0.507 195 N N -1.893 116.960 118.700 0.255 0.000 2.468 195 N HA -0.135 4.605 4.740 -0.000 0.000 0.274 195 N C 1.092 176.719 175.510 0.195 0.000 1.380 195 N CA 0.341 53.512 53.050 0.203 0.000 0.782 195 N CB -0.814 37.889 38.487 0.360 0.000 0.898 195 N HN 0.288 nan 8.380 nan 0.000 0.496 196 L N 2.718 123.889 121.223 -0.086 0.000 2.349 196 L HA -0.150 4.190 4.340 -0.000 0.000 0.220 196 L C 1.635 178.352 176.870 -0.255 0.000 1.130 196 L CA 0.911 55.572 54.840 -0.299 0.000 0.791 196 L CB -0.381 41.276 42.059 -0.670 0.000 0.918 196 L HN 0.565 nan 8.230 nan 0.000 0.444 197 F N -1.152 118.696 119.950 -0.170 0.000 2.408 197 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 197 F C 1.845 177.540 175.800 -0.174 0.000 1.090 197 F CA 0.757 58.672 58.000 -0.141 0.000 1.427 197 F CB -0.772 38.078 39.000 -0.249 0.000 1.070 197 F HN 0.092 nan 8.300 nan 0.000 0.549 198 Y N -1.350 119.125 120.300 0.292 0.000 2.482 198 Y HA 0.085 4.635 4.550 0.000 0.000 0.270 198 Y C 1.083 177.098 175.900 0.191 0.000 1.152 198 Y CA -0.404 57.886 58.100 0.318 0.000 1.292 198 Y CB -0.513 38.226 38.460 0.465 0.000 1.070 198 Y HN -0.161 nan 8.280 nan 0.000 0.528 199 N N 2.724 121.361 118.700 -0.104 0.000 2.401 199 N HA 0.041 4.781 4.740 -0.000 0.000 0.255 199 N C -1.768 173.533 175.510 -0.349 0.000 1.110 199 N CA -1.973 50.561 53.050 -0.860 0.000 0.949 199 N CB 1.228 38.874 38.487 -1.402 0.000 1.110 199 N HN 0.020 nan 8.380 nan 0.000 0.490 200 P HA -0.144 nan 4.420 nan 0.000 0.218 200 P C 1.072 178.204 177.300 -0.280 0.000 1.148 200 P CA 1.252 64.237 63.100 -0.191 0.000 0.822 200 P CB 0.020 31.620 31.700 -0.167 0.000 0.784 201 F N -0.963 118.892 119.950 -0.159 0.000 2.407 201 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 201 F C 2.823 178.610 175.800 -0.022 0.000 1.097 201 F CA 0.976 58.943 58.000 -0.055 0.000 1.422 201 F CB -1.146 37.819 39.000 -0.057 0.000 1.067 201 F HN 0.107 nan 8.300 nan 0.000 0.539 202 H N -0.330 118.716 119.070 -0.040 0.000 2.403 202 H HA -0.022 4.534 4.556 0.000 0.000 0.298 202 H C 2.373 177.689 175.328 -0.020 0.000 1.059 202 H CA 1.305 57.333 56.048 -0.033 0.000 1.363 202 H CB -0.285 29.419 29.762 -0.098 0.000 1.410 202 H HN 0.316 nan 8.280 nan 0.000 0.528 203 G N 1.097 109.889 108.800 -0.014 0.000 2.422 203 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 203 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 203 G C 1.968 176.769 174.900 -0.164 0.000 1.146 203 G CA 0.523 45.568 45.100 -0.091 0.000 0.769 203 G HN 0.324 nan 8.290 nan 0.000 0.547 204 L N 0.385 121.545 121.223 -0.106 0.000 2.056 204 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 204 L C 3.111 179.975 176.870 -0.009 0.000 1.078 204 L CA 1.222 56.002 54.840 -0.099 0.000 0.749 204 L CB -0.413 41.698 42.059 0.087 0.000 0.901 204 L HN 0.323 nan 8.230 nan 0.000 0.433 205 S N 0.142 115.897 115.700 0.092 0.000 2.370 205 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 205 S C 1.963 176.527 174.600 -0.060 0.000 1.033 205 S CA 1.333 59.610 58.200 0.129 0.000 1.011 205 S CB -0.240 62.993 63.200 0.054 0.000 0.852 205 S HN 0.287 nan 8.310 nan 0.000 0.457 206 I N 1.318 121.711 120.570 -0.295 0.000 2.252 206 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 206 I C 2.733 178.513 176.117 -0.561 0.000 1.102 206 I CA 1.014 62.003 61.300 -0.519 0.000 1.385 206 I CB -0.514 37.110 38.000 -0.627 0.000 1.064 206 I HN 0.364 nan 8.210 nan 0.000 0.414 207 A N 0.854 123.422 122.820 -0.419 0.000 1.908 207 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 207 A C 1.992 179.401 177.584 -0.292 0.000 1.181 207 A CA 1.715 53.523 52.037 -0.382 0.000 0.627 207 A CB -0.912 17.775 19.000 -0.521 0.000 0.818 207 A HN 0.363 nan 8.150 nan 0.000 0.445 208 F N -1.087 118.856 119.950 -0.011 0.000 2.367 208 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 208 F C 1.916 177.754 175.800 0.063 0.000 1.094 208 F CA 0.804 58.838 58.000 0.056 0.000 1.409 208 F CB -0.499 38.550 39.000 0.082 0.000 1.064 208 F HN 0.240 nan 8.300 nan 0.000 0.528 209 L N -1.080 120.233 121.223 0.149 0.000 2.044 209 L HA -0.171 4.169 4.340 -0.000 0.000 0.205 209 L C 2.196 179.208 176.870 0.236 0.000 1.075 209 L CA 1.821 56.747 54.840 0.143 0.000 0.747 209 L CB -0.946 41.138 42.059 0.041 0.000 0.903 209 L HN 0.015 nan 8.230 nan 0.000 0.435 210 Y N 0.185 120.526 120.300 0.068 0.000 2.181 210 Y HA -0.019 4.531 4.550 0.000 0.000 0.288 210 Y C 2.584 178.523 175.900 0.065 0.000 1.146 210 Y CA 0.763 58.893 58.100 0.050 0.000 1.164 210 Y CB -1.610 36.857 38.460 0.011 0.000 0.982 210 Y HN 0.249 nan 8.280 nan 0.000 0.515 211 G N -1.164 107.780 108.800 0.241 0.000 2.450 211 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 211 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 211 G C 1.940 176.950 174.900 0.184 0.000 1.130 211 G CA 1.256 46.465 45.100 0.181 0.000 0.760 211 G HN 0.387 nan 8.290 nan 0.000 0.557 212 S N 0.738 116.566 115.700 0.214 0.000 2.383 212 S HA 0.074 4.544 4.470 -0.000 0.000 0.227 212 S C 2.734 177.460 174.600 0.210 0.000 1.026 212 S CA 1.038 59.354 58.200 0.195 0.000 0.981 212 S CB -0.207 63.111 63.200 0.198 0.000 0.818 212 S HN 0.573 nan 8.310 nan 0.000 0.472 213 A N 1.318 124.261 122.820 0.204 0.000 1.929 213 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 213 A C 2.072 179.747 177.584 0.152 0.000 1.176 213 A CA 1.021 53.169 52.037 0.185 0.000 0.628 213 A CB -0.603 18.488 19.000 0.151 0.000 0.816 213 A HN 0.423 nan 8.150 nan 0.000 0.444 214 L N -0.590 120.708 121.223 0.124 0.000 1.994 214 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 214 L C 2.184 179.093 176.870 0.066 0.000 1.071 214 L CA 2.202 57.090 54.840 0.079 0.000 0.745 214 L CB -0.735 41.358 42.059 0.058 0.000 0.892 214 L HN 0.290 nan 8.230 nan 0.000 0.431 215 L N -1.437 119.823 121.223 0.063 0.000 2.056 215 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 215 L C 2.280 179.226 176.870 0.127 0.000 1.078 215 L CA 1.686 56.532 54.840 0.010 0.000 0.749 215 L CB -0.965 41.085 42.059 -0.015 0.000 0.901 215 L HN 0.310 nan 8.230 nan 0.000 0.433 216 F N 0.032 120.013 119.950 0.051 0.000 2.293 216 F HA -0.008 4.519 4.527 -0.000 0.000 0.300 216 F C 2.351 178.192 175.800 0.068 0.000 1.086 216 F CA 0.623 58.673 58.000 0.084 0.000 1.375 216 F CB -0.917 38.136 39.000 0.088 0.000 1.045 216 F HN 0.191 nan 8.300 nan 0.000 0.516 217 A N -0.184 122.785 122.820 0.248 0.000 1.898 217 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 217 A C 2.323 179.993 177.584 0.142 0.000 1.181 217 A CA 1.653 53.769 52.037 0.131 0.000 0.620 217 A CB -0.638 18.418 19.000 0.093 0.000 0.819 217 A HN 0.355 nan 8.150 nan 0.000 0.442 218 M N -1.854 117.829 119.600 0.137 0.000 2.067 218 M HA -0.164 4.316 4.480 -0.000 0.000 0.260 218 M C 2.318 178.726 176.300 0.180 0.000 1.069 218 M CA 2.123 57.508 55.300 0.141 0.000 1.117 218 M CB -0.527 31.981 32.600 -0.153 0.000 1.334 218 M HN 0.685 nan 8.290 nan 0.000 0.407 219 H N -0.083 119.018 119.070 0.051 0.000 2.326 219 H HA -0.035 4.521 4.556 0.000 0.000 0.301 219 H C 1.964 177.381 175.328 0.148 0.000 1.081 219 H CA 2.090 58.176 56.048 0.064 0.000 1.334 219 H CB -0.608 29.148 29.762 -0.009 0.000 1.385 219 H HN 0.324 nan 8.280 nan 0.000 0.504 220 G N -0.074 108.822 108.800 0.160 0.000 2.421 220 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 220 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 220 G C 1.922 176.776 174.900 -0.078 0.000 1.171 220 G CA 1.089 46.186 45.100 -0.004 0.000 0.775 220 G HN 0.612 nan 8.290 nan 0.000 0.543 221 A N 0.140 122.944 122.820 -0.027 0.000 1.902 221 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 221 A C 2.534 180.062 177.584 -0.094 0.000 1.181 221 A CA 2.425 54.425 52.037 -0.063 0.000 0.623 221 A CB -0.913 18.070 19.000 -0.029 0.000 0.818 221 A HN 0.303 nan 8.150 nan 0.000 0.443 222 T N 0.581 115.115 114.554 -0.035 0.000 2.674 222 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 222 T C 1.809 176.466 174.700 -0.071 0.000 1.039 222 T CA 1.507 63.587 62.100 -0.034 0.000 1.150 222 T CB -0.298 68.684 68.868 0.191 0.000 0.864 222 T HN 0.291 nan 8.240 nan 0.000 0.427 223 I N 1.217 121.709 120.570 -0.129 0.000 2.226 223 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 223 I C 2.370 178.434 176.117 -0.089 0.000 1.100 223 I CA 1.258 62.487 61.300 -0.118 0.000 1.374 223 I CB -1.321 36.550 38.000 -0.216 0.000 1.057 223 I HN 0.279 nan 8.210 nan 0.000 0.413 224 L N 0.503 121.655 121.223 -0.119 0.000 2.083 224 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 224 L C 2.742 179.542 176.870 -0.118 0.000 1.083 224 L CA 1.280 56.044 54.840 -0.128 0.000 0.752 224 L CB -0.720 41.244 42.059 -0.159 0.000 0.899 224 L HN 0.184 nan 8.230 nan 0.000 0.433 225 A N 0.020 122.770 122.820 -0.115 0.000 1.972 225 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 225 A C 1.892 179.460 177.584 -0.027 0.000 1.169 225 A CA 1.750 53.722 52.037 -0.108 0.000 0.635 225 A CB -0.525 18.370 19.000 -0.175 0.000 0.810 225 A HN 0.364 nan 8.150 nan 0.000 0.446 226 V N -2.031 117.902 119.914 0.031 0.000 3.271 226 V HA 0.141 4.261 4.120 -0.000 0.000 0.327 226 V C 1.513 177.683 176.094 0.127 0.000 1.389 226 V CA 0.825 63.255 62.300 0.216 0.000 1.156 226 V CB -0.685 31.290 31.823 0.254 0.000 1.103 226 V HN 0.524 nan 8.190 nan 0.000 0.453 227 S N 2.162 117.853 115.700 -0.015 0.000 2.474 227 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 227 S C 1.929 176.473 174.600 -0.093 0.000 0.997 227 S CA 1.115 59.296 58.200 -0.032 0.000 0.949 227 S CB -0.680 62.489 63.200 -0.052 0.000 0.766 227 S HN 0.864 nan 8.310 nan 0.000 0.517 228 R N 0.202 120.548 120.500 -0.257 0.000 2.285 228 R HA 0.073 4.413 4.340 -0.000 0.000 0.213 228 R C 0.232 176.204 176.300 -0.547 0.000 1.068 228 R CA 0.920 56.754 56.100 -0.443 0.000 1.004 228 R CB -0.637 29.271 30.300 -0.653 0.000 0.873 228 R HN 0.546 nan 8.270 nan 0.000 0.467 229 F N 0.179 120.129 119.950 0.000 0.000 2.698 229 F HA 0.452 4.979 4.527 -0.000 0.000 0.304 229 F C 1.110 176.912 175.800 0.004 0.000 1.108 229 F CA -0.311 57.690 58.000 0.002 0.000 1.263 229 F CB 1.135 40.133 39.000 -0.002 0.000 1.013 229 F HN 0.180 nan 8.300 nan 0.000 0.532 230 G N 0.660 109.526 108.800 0.111 0.000 2.176 230 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 230 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 230 G C 1.414 176.368 174.900 0.090 0.000 1.024 230 G CA 0.225 45.373 45.100 0.080 0.000 0.755 230 G HN 0.688 nan 8.290 nan 0.000 0.507 231 G N 0.880 109.747 108.800 0.112 0.000 2.462 231 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.220 231 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.220 231 G C 1.475 176.415 174.900 0.066 0.000 1.121 231 G CA 1.478 46.637 45.100 0.099 0.000 0.758 231 G HN 0.860 nan 8.290 nan 0.000 0.559 232 E N 0.108 120.332 120.200 0.040 0.000 2.418 232 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 232 E C 0.526 177.147 176.600 0.035 0.000 1.026 232 E CA 0.270 56.687 56.400 0.028 0.000 0.862 232 E CB -0.796 28.904 29.700 0.001 0.000 0.799 232 E HN 0.278 nan 8.360 nan 0.000 0.518 233 C N 3.229 122.551 119.300 0.037 0.000 3.025 233 C HA 0.209 4.669 4.460 -0.000 0.000 0.547 233 C C 1.474 176.484 174.990 0.033 0.000 1.058 233 C CA -0.604 58.430 59.018 0.027 0.000 1.164 233 C CB -1.684 26.072 27.740 0.027 0.000 1.405 233 C HN 0.383 nan 8.230 nan 0.000 0.610 234 E N 0.853 121.073 120.200 0.034 0.000 2.058 234 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 234 E C 1.810 178.413 176.600 0.006 0.000 0.997 234 E CA 1.141 57.567 56.400 0.043 0.000 0.801 234 E CB 0.001 29.725 29.700 0.040 0.000 0.746 234 E HN 0.732 nan 8.360 nan 0.000 0.450 235 L N 1.081 122.287 121.223 -0.028 0.000 2.083 235 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 235 L C 2.770 179.635 176.870 -0.008 0.000 1.083 235 L CA 1.254 56.075 54.840 -0.033 0.000 0.752 235 L CB -0.447 41.585 42.059 -0.046 0.000 0.899 235 L HN 0.225 nan 8.230 nan 0.000 0.433 236 E N -0.152 120.049 120.200 0.002 0.000 2.106 236 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 236 E C 2.057 178.669 176.600 0.020 0.000 0.984 236 E CA 0.990 57.396 56.400 0.010 0.000 0.806 236 E CB 0.082 29.791 29.700 0.014 0.000 0.750 236 E HN 0.488 nan 8.360 nan 0.000 0.458 237 Q N 0.198 120.016 119.800 0.031 0.000 2.230 237 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 237 Q C 2.343 178.367 176.000 0.039 0.000 0.963 237 Q CA 0.785 56.612 55.803 0.040 0.000 0.866 237 Q CB 0.014 28.788 28.738 0.059 0.000 0.931 237 Q HN 0.487 nan 8.270 nan 0.000 0.452 238 I N 0.379 120.969 120.570 0.035 0.000 2.233 238 I HA -0.202 3.967 4.170 -0.000 0.000 0.243 238 I C 2.258 178.389 176.117 0.023 0.000 1.093 238 I CA 1.005 62.325 61.300 0.033 0.000 1.380 238 I CB -0.300 37.712 38.000 0.020 0.000 1.067 238 I HN 0.037 nan 8.210 nan 0.000 0.413 239 A N -0.905 121.923 122.820 0.014 0.000 2.014 239 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 239 A C 0.850 178.442 177.584 0.013 0.000 1.163 239 A CA 1.360 53.403 52.037 0.011 0.000 0.652 239 A CB -0.057 18.946 19.000 0.005 0.000 0.808 239 A HN 0.392 nan 8.150 nan 0.000 0.449 240 D N -1.057 119.353 120.400 0.016 0.000 2.527 240 D HA 0.121 4.761 4.640 -0.000 0.000 0.242 240 D C -0.488 175.823 176.300 0.018 0.000 1.285 240 D CA -0.455 53.555 54.000 0.015 0.000 0.886 240 D CB 0.006 40.814 40.800 0.014 0.000 1.402 240 D HN 0.248 nan 8.370 nan 0.000 0.528 241 R N 1.103 121.614 120.500 0.018 0.000 2.481 241 R HA 0.256 4.596 4.340 -0.000 0.000 0.291 241 R C 0.319 176.623 176.300 0.007 0.000 0.934 241 R CA 0.718 56.828 56.100 0.016 0.000 1.116 241 R CB 0.230 30.539 30.300 0.015 0.000 0.895 241 R HN 0.374 nan 8.270 nan 0.000 0.410 242 G N 0.890 109.693 108.800 0.004 0.000 2.667 242 G HA2 0.095 4.055 3.960 -0.000 0.000 0.310 242 G HA3 0.095 4.055 3.960 -0.000 0.000 0.310 242 G C 0.472 175.340 174.900 -0.054 0.000 1.259 242 G CA -0.308 44.787 45.100 -0.009 0.000 1.019 242 G HN 0.575 nan 8.290 nan 0.000 0.496 243 T N -0.472 114.023 114.554 -0.099 0.000 2.929 243 T HA -0.042 4.308 4.350 -0.000 0.000 0.271 243 T C 2.529 177.026 174.700 -0.338 0.000 1.085 243 T CA 2.295 64.257 62.100 -0.230 0.000 1.125 243 T CB -0.499 68.186 68.868 -0.304 0.000 0.874 243 T HN 0.644 nan 8.240 nan 0.000 0.494 244 A N 1.067 123.770 122.820 -0.196 0.000 1.858 244 A HA 0.182 4.502 4.320 -0.000 0.000 0.216 244 A C 2.730 180.283 177.584 -0.052 0.000 1.190 244 A CA 2.011 54.001 52.037 -0.078 0.000 0.617 244 A CB -1.358 17.722 19.000 0.135 0.000 0.827 244 A HN 0.637 nan 8.150 nan 0.000 0.443 245 A N -0.356 122.452 122.820 -0.019 0.000 1.930 245 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 245 A C 1.922 179.489 177.584 -0.027 0.000 1.175 245 A CA 1.571 53.614 52.037 0.009 0.000 0.627 245 A CB -0.487 18.532 19.000 0.031 0.000 0.815 245 A HN 0.658 nan 8.150 nan 0.000 0.443 246 E N -0.349 119.804 120.200 -0.078 0.000 2.072 246 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 246 E C 2.295 178.797 176.600 -0.163 0.000 0.985 246 E CA 1.030 57.368 56.400 -0.103 0.000 0.801 246 E CB -0.192 29.441 29.700 -0.112 0.000 0.750 246 E HN 0.559 nan 8.360 nan 0.000 0.452 247 R N 0.693 121.066 120.500 -0.212 0.000 2.092 247 R HA -0.043 4.297 4.340 -0.000 0.000 0.231 247 R C 2.396 178.604 176.300 -0.153 0.000 1.119 247 R CA 0.973 56.926 56.100 -0.244 0.000 0.970 247 R CB -0.287 29.835 30.300 -0.296 0.000 0.864 247 R HN 0.088 nan 8.270 nan 0.000 0.440 248 A N 1.602 124.385 122.820 -0.062 0.000 1.858 248 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 248 A C 2.424 180.078 177.584 0.116 0.000 1.190 248 A CA 1.748 53.814 52.037 0.047 0.000 0.617 248 A CB -0.752 18.308 19.000 0.100 0.000 0.827 248 A HN 0.380 nan 8.150 nan 0.000 0.443 249 A N -0.396 122.453 122.820 0.049 0.000 1.902 249 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 249 A C 2.165 179.703 177.584 -0.077 0.000 1.181 249 A CA 1.570 53.634 52.037 0.046 0.000 0.623 249 A CB -0.612 18.393 19.000 0.009 0.000 0.818 249 A HN 0.479 nan 8.150 nan 0.000 0.443 250 L N -2.038 119.017 121.223 -0.279 0.000 2.217 250 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 250 L C 2.418 178.820 176.870 -0.780 0.000 1.107 250 L CA 1.128 55.555 54.840 -0.689 0.000 0.783 250 L CB -0.488 40.961 42.059 -1.017 0.000 0.919 250 L HN 0.540 nan 8.230 nan 0.000 0.442 251 F N 0.125 119.726 119.950 -0.582 0.000 2.069 251 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 251 F C 2.008 177.493 175.800 -0.525 0.000 1.113 251 F CA 1.657 59.322 58.000 -0.559 0.000 1.214 251 F CB -0.398 38.220 39.000 -0.637 0.000 0.978 251 F HN -0.034 nan 8.300 nan 0.000 0.474 252 W N 0.464 121.727 121.300 -0.063 0.000 2.418 252 W HA -0.021 4.639 4.660 0.000 0.000 0.292 252 W C 2.804 179.188 176.519 -0.226 0.000 1.213 252 W CA 1.195 58.446 57.345 -0.156 0.000 1.283 252 W CB -0.507 28.884 29.460 -0.115 0.000 1.119 252 W HN -0.112 nan 8.180 nan 0.000 0.542 253 R N -0.297 120.200 120.500 -0.006 0.000 2.081 253 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 253 R C 1.911 178.309 176.300 0.163 0.000 1.131 253 R CA 1.967 58.100 56.100 0.056 0.000 0.960 253 R CB -0.652 29.671 30.300 0.039 0.000 0.856 253 R HN 0.140 nan 8.270 nan 0.000 0.436 254 W N 0.129 121.347 121.300 -0.137 0.000 2.425 254 W HA 0.013 4.672 4.660 -0.000 0.000 0.277 254 W C 2.095 178.477 176.519 -0.228 0.000 1.231 254 W CA 0.858 58.100 57.345 -0.172 0.000 1.248 254 W CB -0.970 28.364 29.460 -0.210 0.000 1.117 254 W HN 0.114 nan 8.180 nan 0.000 0.568 255 T N 0.595 115.062 114.554 -0.145 0.000 2.770 255 T HA -0.088 4.262 4.350 -0.000 0.000 0.258 255 T C 1.660 176.355 174.700 -0.009 0.000 1.039 255 T CA 1.744 63.712 62.100 -0.218 0.000 1.143 255 T CB -0.243 68.286 68.868 -0.565 0.000 0.866 255 T HN 0.176 nan 8.240 nan 0.000 0.428 256 M N -0.692 118.954 119.600 0.077 0.000 2.347 256 M HA 0.589 5.069 4.480 -0.000 0.000 0.302 256 M C 1.274 177.728 176.300 0.255 0.000 1.051 256 M CA 0.203 55.599 55.300 0.161 0.000 0.988 256 M CB 0.897 33.607 32.600 0.184 0.000 1.475 256 M HN 0.301 nan 8.290 nan 0.000 0.530 257 G N 2.116 111.044 108.800 0.214 0.000 2.199 257 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 257 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 257 G C -0.195 174.933 174.900 0.380 0.000 0.982 257 G CA 0.522 45.782 45.100 0.266 0.000 0.632 257 G HN 0.845 nan 8.290 nan 0.000 0.529 258 F N -0.218 119.789 119.950 0.095 0.000 2.779 258 F HA 0.765 5.292 4.527 0.000 0.000 0.316 258 F C -0.816 175.043 175.800 0.098 0.000 1.164 258 F CA -1.219 56.832 58.000 0.086 0.000 0.924 258 F CB 0.632 39.672 39.000 0.066 0.000 1.348 258 F HN 0.430 nan 8.300 nan 0.000 0.467 259 N N 1.056 119.746 118.700 -0.017 0.000 3.277 259 N HA 0.764 5.504 4.740 -0.000 0.000 0.278 259 N C -1.760 173.765 175.510 0.025 0.000 1.544 259 N CA -0.544 52.437 53.050 -0.115 0.000 0.869 259 N CB 1.737 40.241 38.487 0.028 0.000 1.584 259 N HN 1.103 nan 8.380 nan 0.000 0.564 260 A N -0.191 122.639 122.820 0.016 0.000 2.616 260 A HA 0.850 5.170 4.320 -0.000 0.000 0.253 260 A C -0.232 177.419 177.584 0.111 0.000 1.239 260 A CA -0.152 51.954 52.037 0.116 0.000 0.914 260 A CB 0.617 19.663 19.000 0.077 0.000 1.454 260 A HN 0.892 nan 8.150 nan 0.000 0.460 261 T N -3.522 111.108 114.554 0.126 0.000 2.926 261 T HA 0.450 4.800 4.350 -0.000 0.000 0.289 261 T C 0.770 175.541 174.700 0.118 0.000 1.054 261 T CA -0.120 62.044 62.100 0.107 0.000 1.015 261 T CB 1.110 70.038 68.868 0.100 0.000 1.167 261 T HN 0.509 nan 8.240 nan 0.000 0.526 262 M N 0.533 120.208 119.600 0.124 0.000 2.149 262 M HA -0.011 4.469 4.480 -0.000 0.000 0.261 262 M C 2.045 178.489 176.300 0.241 0.000 1.064 262 M CA 1.800 57.206 55.300 0.177 0.000 1.102 262 M CB -0.848 31.841 32.600 0.148 0.000 1.369 262 M HN 0.899 nan 8.290 nan 0.000 0.408 263 E N -1.411 118.888 120.200 0.166 0.000 2.060 263 E HA -0.059 4.291 4.350 -0.000 0.000 0.189 263 E C 1.982 178.682 176.600 0.168 0.000 0.974 263 E CA 0.965 57.463 56.400 0.163 0.000 0.808 263 E CB -0.490 29.259 29.700 0.080 0.000 0.768 263 E HN 0.589 nan 8.360 nan 0.000 0.453 264 G N 1.597 110.476 108.800 0.131 0.000 2.442 264 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 264 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 264 G C 1.528 176.533 174.900 0.175 0.000 1.141 264 G CA 0.829 46.007 45.100 0.129 0.000 0.763 264 G HN 0.340 nan 8.290 nan 0.000 0.554 265 I N 0.582 121.211 120.570 0.098 0.000 2.361 265 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 265 I C 2.245 178.197 176.117 -0.276 0.000 1.133 265 I CA 1.062 62.319 61.300 -0.070 0.000 1.413 265 I CB -0.362 37.436 38.000 -0.336 0.000 1.073 265 I HN 0.289 nan 8.210 nan 0.000 0.424 266 H N -0.585 118.437 119.070 -0.080 0.000 2.529 266 H HA 0.119 4.675 4.556 -0.000 0.000 0.277 266 H C 2.189 177.494 175.328 -0.038 0.000 0.999 266 H CA 0.777 56.751 56.048 -0.124 0.000 1.256 266 H CB -0.032 29.657 29.762 -0.122 0.000 1.402 266 H HN 0.267 nan 8.280 nan 0.000 0.566 267 R N -0.709 119.850 120.500 0.099 0.000 2.100 267 R HA -0.086 4.254 4.340 -0.000 0.000 0.220 267 R C 1.400 177.809 176.300 0.182 0.000 1.091 267 R CA 0.996 57.174 56.100 0.130 0.000 0.986 267 R CB -0.185 30.163 30.300 0.079 0.000 0.888 267 R HN 0.374 nan 8.270 nan 0.000 0.444 268 W N 1.053 122.391 121.300 0.063 0.000 2.358 268 W HA -0.148 4.512 4.660 -0.000 0.000 0.303 268 W C 2.530 179.061 176.519 0.020 0.000 1.208 268 W CA 1.293 58.671 57.345 0.055 0.000 1.274 268 W CB -0.253 29.183 29.460 -0.041 0.000 1.138 268 W HN 0.169 nan 8.180 nan 0.000 0.515 269 A N 0.124 123.021 122.820 0.128 0.000 1.858 269 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 269 A C 1.913 179.485 177.584 -0.021 0.000 1.190 269 A CA 1.766 53.777 52.037 -0.043 0.000 0.617 269 A CB -1.079 17.763 19.000 -0.264 0.000 0.827 269 A HN 0.346 nan 8.150 nan 0.000 0.443 270 I N -2.116 118.432 120.570 -0.037 0.000 2.286 270 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 270 I C 2.276 178.273 176.117 -0.199 0.000 1.115 270 I CA 1.431 62.649 61.300 -0.136 0.000 1.392 270 I CB -0.091 37.791 38.000 -0.196 0.000 1.065 270 I HN 0.616 nan 8.210 nan 0.000 0.418 271 W N -0.185 121.112 121.300 -0.004 0.000 2.409 271 W HA -0.187 4.473 4.660 -0.000 0.000 0.299 271 W C 2.455 178.938 176.519 -0.059 0.000 1.203 271 W CA 0.836 58.154 57.345 -0.044 0.000 1.298 271 W CB -0.341 29.073 29.460 -0.076 0.000 1.127 271 W HN 0.135 nan 8.180 nan 0.000 0.528 272 M N 1.084 120.837 119.600 0.256 0.000 2.082 272 M HA -0.168 4.312 4.480 -0.000 0.000 0.258 272 M C 2.062 178.447 176.300 0.142 0.000 1.069 272 M CA 2.507 57.954 55.300 0.245 0.000 1.102 272 M CB -0.827 31.936 32.600 0.271 0.000 1.336 272 M HN -0.039 nan 8.290 nan 0.000 0.404 273 A N -1.198 121.672 122.820 0.083 0.000 1.872 273 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 273 A C 2.183 179.785 177.584 0.030 0.000 1.187 273 A CA 1.718 53.795 52.037 0.066 0.000 0.614 273 A CB -1.223 17.798 19.000 0.036 0.000 0.826 273 A HN 0.367 nan 8.150 nan 0.000 0.442 274 V N 0.286 120.180 119.914 -0.034 0.000 2.392 274 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 274 V C 2.489 178.564 176.094 -0.031 0.000 1.059 274 V CA 1.921 64.188 62.300 -0.055 0.000 1.051 274 V CB -0.669 31.022 31.823 -0.220 0.000 0.658 274 V HN 0.567 nan 8.190 nan 0.000 0.455 275 L N -0.817 120.331 121.223 -0.126 0.000 2.275 275 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 275 L C 2.331 179.108 176.870 -0.154 0.000 1.119 275 L CA 0.571 55.209 54.840 -0.337 0.000 0.790 275 L CB -0.500 40.869 42.059 -1.150 0.000 0.919 275 L HN 0.214 nan 8.230 nan 0.000 0.443 276 V N 0.026 119.955 119.914 0.025 0.000 2.233 276 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 276 V C 2.629 178.822 176.094 0.165 0.000 1.050 276 V CA 2.621 65.027 62.300 0.177 0.000 1.010 276 V CB -0.965 30.955 31.823 0.162 0.000 0.637 276 V HN 0.665 nan 8.190 nan 0.000 0.444 277 T N -1.851 112.794 114.554 0.152 0.000 3.043 277 T HA -0.030 4.320 4.350 -0.000 0.000 0.263 277 T C 1.792 176.679 174.700 0.311 0.000 1.094 277 T CA 0.950 63.165 62.100 0.191 0.000 1.127 277 T CB -0.157 68.820 68.868 0.182 0.000 0.905 277 T HN 0.226 nan 8.240 nan 0.000 0.490 278 L N 3.003 124.388 121.223 0.271 0.000 1.988 278 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 278 L C 2.785 179.867 176.870 0.352 0.000 1.071 278 L CA 2.613 57.638 54.840 0.308 0.000 0.744 278 L CB -1.436 40.692 42.059 0.115 0.000 0.893 278 L HN 0.513 nan 8.230 nan 0.000 0.433 279 T N -3.378 111.346 114.554 0.283 0.000 2.788 279 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 279 T C 1.986 176.863 174.700 0.295 0.000 1.044 279 T CA 0.927 63.255 62.100 0.379 0.000 1.139 279 T CB -1.545 67.618 68.868 0.492 0.000 0.867 279 T HN 0.393 nan 8.240 nan 0.000 0.454 280 G N 1.502 110.442 108.800 0.233 0.000 2.459 280 G HA2 0.014 3.974 3.960 -0.000 0.000 0.217 280 G HA3 0.014 3.974 3.960 -0.000 0.000 0.217 280 G C 1.774 176.700 174.900 0.043 0.000 1.183 280 G CA 0.756 45.940 45.100 0.140 0.000 0.776 280 G HN 0.672 nan 8.290 nan 0.000 0.552 281 G N 0.875 109.681 108.800 0.011 0.000 2.442 281 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 281 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 281 G C 1.786 176.564 174.900 -0.204 0.000 1.141 281 G CA 0.864 45.736 45.100 -0.380 0.000 0.763 281 G HN 0.461 nan 8.290 nan 0.000 0.554 282 I N 1.148 121.781 120.570 0.106 0.000 2.179 282 I HA -0.082 4.088 4.170 -0.000 0.000 0.242 282 I C 3.117 179.090 176.117 -0.241 0.000 1.088 282 I CA 1.005 62.246 61.300 -0.099 0.000 1.357 282 I CB -0.558 37.128 38.000 -0.523 0.000 1.051 282 I HN 0.245 nan 8.210 nan 0.000 0.409 283 G N 1.465 110.169 108.800 -0.159 0.000 2.440 283 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.218 283 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.218 283 G C 1.579 176.506 174.900 0.045 0.000 1.154 283 G CA 0.580 45.672 45.100 -0.012 0.000 0.767 283 G HN 0.180 nan 8.290 nan 0.000 0.552 284 I N 0.371 120.938 120.570 -0.005 0.000 2.286 284 I HA -0.024 4.146 4.170 -0.000 0.000 0.245 284 I C 2.619 178.776 176.117 0.066 0.000 1.104 284 I CA 0.559 61.866 61.300 0.012 0.000 1.397 284 I CB -1.131 36.784 38.000 -0.142 0.000 1.072 284 I HN 0.138 nan 8.210 nan 0.000 0.417 285 L N 0.809 122.009 121.223 -0.039 0.000 2.079 285 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 285 L C 2.238 179.140 176.870 0.053 0.000 1.081 285 L CA 1.738 56.566 54.840 -0.021 0.000 0.752 285 L CB -0.586 41.430 42.059 -0.071 0.000 0.896 285 L HN 0.136 nan 8.230 nan 0.000 0.433 286 L N -1.177 120.102 121.223 0.092 0.000 2.395 286 L HA -0.002 4.338 4.340 -0.000 0.000 0.218 286 L C 0.836 177.790 176.870 0.140 0.000 1.130 286 L CA -0.035 54.881 54.840 0.126 0.000 0.826 286 L CB -0.374 41.810 42.059 0.208 0.000 0.941 286 L HN 0.062 nan 8.230 nan 0.000 0.451 287 S N 0.264 116.096 115.700 0.220 0.000 2.430 287 S HA 0.398 4.868 4.470 -0.000 0.000 0.282 287 S C 1.084 175.659 174.600 -0.043 0.000 1.186 287 S CA 0.394 58.658 58.200 0.107 0.000 1.060 287 S CB 0.915 64.202 63.200 0.145 0.000 0.966 287 S HN 0.551 nan 8.310 nan 0.000 0.501 288 G N 3.162 111.972 108.800 0.016 0.000 2.299 288 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.237 288 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.237 288 G C 1.072 175.972 174.900 0.000 0.000 1.027 288 G CA 0.773 45.915 45.100 0.069 0.000 0.619 288 G HN 0.801 nan 8.290 nan 0.000 0.513 289 T N -2.194 112.357 114.554 -0.006 0.000 2.901 289 T HA 0.383 4.733 4.350 -0.000 0.000 0.252 289 T C 2.089 176.771 174.700 -0.031 0.000 1.035 289 T CA 2.091 64.183 62.100 -0.013 0.000 1.142 289 T CB 0.110 68.981 68.868 0.005 0.000 0.869 289 T HN 0.640 nan 8.240 nan 0.000 0.442 290 V N 0.225 120.108 119.914 -0.052 0.000 3.359 290 V HA 0.381 4.501 4.120 -0.000 0.000 0.245 290 V C 0.270 176.275 176.094 -0.148 0.000 1.247 290 V CA -0.052 62.209 62.300 -0.067 0.000 1.145 290 V CB 1.148 32.948 31.823 -0.038 0.000 0.906 290 V HN 0.335 nan 8.190 nan 0.000 0.464 291 V N 1.163 120.906 119.914 -0.286 0.000 2.407 291 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 291 V C 0.194 176.029 176.094 -0.431 0.000 1.018 291 V CA -0.422 61.565 62.300 -0.523 0.000 0.842 291 V CB 1.575 32.604 31.823 -1.324 0.000 0.996 291 V HN 0.275 nan 8.190 nan 0.000 0.426 292 D N 2.326 122.563 120.400 -0.271 0.000 2.249 292 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 292 D C 0.626 176.801 176.300 -0.207 0.000 0.962 292 D CA 0.974 54.864 54.000 -0.184 0.000 0.860 292 D CB 0.444 41.160 40.800 -0.141 0.000 0.955 292 D HN 0.500 nan 8.370 nan 0.000 0.505 293 N N -0.525 118.026 118.700 -0.247 0.000 2.549 293 N HA 0.006 4.746 4.740 -0.000 0.000 0.290 293 N C -0.124 175.333 175.510 -0.088 0.000 1.122 293 N CA -0.414 52.569 53.050 -0.112 0.000 0.885 293 N CB 0.617 39.094 38.487 -0.017 0.000 1.455 293 N HN -0.126 nan 8.380 nan 0.000 0.521 294 W N 1.974 123.397 121.300 0.205 0.000 2.388 294 W HA -0.120 4.540 4.660 0.000 0.000 0.294 294 W C 1.847 178.542 176.519 0.293 0.000 1.212 294 W CA 0.557 58.072 57.345 0.283 0.000 1.271 294 W CB -0.298 29.336 29.460 0.289 0.000 1.126 294 W HN 0.682 nan 8.180 nan 0.000 0.535 295 Y N 0.797 121.218 120.300 0.202 0.000 2.128 295 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 295 Y C 2.191 178.037 175.900 -0.089 0.000 1.154 295 Y CA 2.037 59.962 58.100 -0.293 0.000 1.149 295 Y CB -0.901 37.330 38.460 -0.381 0.000 0.976 295 Y HN -0.210 nan 8.280 nan 0.000 0.505 296 V N -0.535 119.330 119.914 -0.082 0.000 2.295 296 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 296 V C 2.126 178.190 176.094 -0.050 0.000 1.049 296 V CA 2.057 64.271 62.300 -0.142 0.000 1.024 296 V CB -1.167 30.655 31.823 -0.002 0.000 0.648 296 V HN 0.722 nan 8.190 nan 0.000 0.447 297 W N 1.437 122.694 121.300 -0.071 0.000 2.338 297 W HA -0.137 4.523 4.660 -0.000 0.000 0.304 297 W C 2.305 178.923 176.519 0.164 0.000 1.212 297 W CA 1.924 59.303 57.345 0.057 0.000 1.264 297 W CB -0.669 28.780 29.460 -0.018 0.000 1.142 297 W HN 0.250 nan 8.180 nan 0.000 0.512 298 G N -0.406 108.566 108.800 0.286 0.000 2.470 298 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 298 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 298 G C 1.394 176.193 174.900 -0.168 0.000 1.121 298 G CA 0.814 45.974 45.100 0.099 0.000 0.766 298 G HN 0.275 nan 8.290 nan 0.000 0.553 299 Q N 0.280 119.906 119.800 -0.289 0.000 2.230 299 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 299 Q C 1.850 177.672 176.000 -0.296 0.000 0.963 299 Q CA 0.770 56.383 55.803 -0.317 0.000 0.866 299 Q CB -0.211 28.290 28.738 -0.397 0.000 0.931 299 Q HN 0.673 nan 8.270 nan 0.000 0.452 300 N N -0.750 117.729 118.700 -0.369 0.000 2.299 300 N HA 0.019 4.759 4.740 -0.000 0.000 0.187 300 N C -0.248 174.685 175.510 -0.962 0.000 1.099 300 N CA 0.017 52.720 53.050 -0.578 0.000 0.867 300 N CB 0.405 38.543 38.487 -0.583 0.000 0.974 300 N HN 0.212 nan 8.380 nan 0.000 0.477 301 H N 0.000 118.757 119.070 -0.522 0.000 2.539 301 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 301 H CA 0.000 55.730 56.048 -0.530 0.000 1.023 301 H CB 0.000 29.164 29.762 -0.996 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496