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 2i6e_1_A DATA FIRST_RESID 16 DATA SEQUENCE PYRAGWIHFT NVAPILDSLE LPPGVTAITG VPTQXNAALL SGEVDIANVS DATA SEQUENCE AVEFIRHADT LAALPDFSVA VLGPVYSVNL FHTCPLPELR RVALTSQSAX DATA SEQUENCE SVALLEVLLR QKGLSPVLER AEGTAESLLA AGYDGVLRIG DDALREWYGV DATA SEQUENCE VGPLTPERTX TSLPHTGRGI TVTDLAQEWF DLTGHPFTFA VWAYRKDNPP DATA SEQUENCE PAALLQAXRE ARRRGIGHLA EVSQRHAEKL GLPERVVQHY LWNFRYHLEA DATA SEQUENCE PDRLGLREFA DLAVPGHAEL TF 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 16 P HA 0.000 nan 4.420 nan 0.000 0.216 16 P C 0.000 177.394 177.300 0.157 0.000 1.155 16 P CA 0.000 63.140 63.100 0.067 0.000 0.800 16 P CB 0.000 31.733 31.700 0.054 0.000 0.726 17 Y N 0.995 121.268 120.300 -0.045 0.000 2.265 17 Y HA 0.449 4.999 4.550 -0.000 0.000 0.325 17 Y C -0.487 175.363 175.900 -0.084 0.000 1.190 17 Y CA -0.853 57.213 58.100 -0.055 0.000 1.224 17 Y CB 1.072 39.501 38.460 -0.051 0.000 1.200 17 Y HN -0.275 nan 8.280 nan 0.000 0.421 18 R N 2.899 123.140 120.500 -0.432 0.000 2.560 18 R HA 0.885 5.224 4.340 -0.000 0.000 0.270 18 R C -0.816 175.166 176.300 -0.531 0.000 1.074 18 R CA -0.187 55.682 56.100 -0.386 0.000 1.140 18 R CB 1.000 31.123 30.300 -0.295 0.000 1.073 18 R HN 0.613 nan 8.270 nan 0.000 0.527 19 A N 0.137 122.656 122.820 -0.502 0.000 2.488 19 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 19 A C -0.766 176.358 177.584 -0.766 0.000 1.044 19 A CA -0.652 50.947 52.037 -0.729 0.000 0.693 19 A CB 1.939 20.326 19.000 -1.022 0.000 1.272 19 A HN 0.726 nan 8.150 nan 0.000 0.402 20 G N 1.140 109.563 108.800 -0.629 0.000 2.671 20 G HA2 0.523 4.483 3.960 -0.000 0.000 0.318 20 G HA3 0.523 4.483 3.960 -0.000 0.000 0.318 20 G C -0.535 174.309 174.900 -0.093 0.000 1.250 20 G CA -0.389 44.501 45.100 -0.349 0.000 1.028 20 G HN 0.625 nan 8.290 nan 0.000 0.501 21 W N 1.693 122.945 121.300 -0.081 0.000 2.303 21 W HA 0.587 5.247 4.660 -0.000 0.000 0.334 21 W C 0.218 176.627 176.519 -0.184 0.000 1.197 21 W CA -1.079 56.173 57.345 -0.155 0.000 1.262 21 W CB 1.795 31.130 29.460 -0.209 0.000 1.153 21 W HN 0.173 nan 8.180 nan 0.000 0.596 22 I N 2.831 123.406 120.570 0.008 0.000 2.595 22 I HA 0.051 4.221 4.170 -0.000 0.000 0.275 22 I C -0.140 175.758 176.117 -0.364 0.000 1.092 22 I CA -0.844 60.330 61.300 -0.211 0.000 1.145 22 I CB 0.332 38.222 38.000 -0.184 0.000 1.276 22 I HN 0.386 nan 8.210 nan 0.000 0.497 23 H N 5.952 124.887 119.070 -0.226 0.000 3.901 23 H HA 0.122 4.678 4.556 -0.000 0.000 0.233 23 H C -0.365 174.829 175.328 -0.223 0.000 1.479 23 H CA 0.736 56.692 56.048 -0.152 0.000 1.555 23 H CB -0.321 29.416 29.762 -0.041 0.000 1.802 23 H HN 0.343 nan 8.280 nan 0.000 0.666 24 F N -0.357 119.612 119.950 0.032 0.000 2.380 24 F HA 0.044 4.571 4.527 -0.000 0.000 0.321 24 F C 2.092 177.879 175.800 -0.022 0.000 1.103 24 F CA -0.672 57.339 58.000 0.017 0.000 1.067 24 F CB 1.005 39.993 39.000 -0.019 0.000 1.265 24 F HN 0.143 nan 8.300 nan 0.000 0.517 25 T N 0.133 114.806 114.554 0.197 0.000 2.720 25 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 25 T C 1.580 176.319 174.700 0.065 0.000 1.037 25 T CA 1.904 64.012 62.100 0.013 0.000 1.144 25 T CB -0.543 68.396 68.868 0.119 0.000 0.864 25 T HN 0.653 nan 8.240 nan 0.000 0.444 26 N N 1.179 119.964 118.700 0.142 0.000 2.588 26 N HA -0.052 4.688 4.740 -0.000 0.000 0.190 26 N C 1.163 176.533 175.510 -0.234 0.000 1.094 26 N CA 0.429 53.326 53.050 -0.255 0.000 0.921 26 N CB -0.396 37.624 38.487 -0.778 0.000 0.959 26 N HN 0.327 nan 8.380 nan 0.000 0.448 27 V N -1.514 118.356 119.914 -0.073 0.000 3.477 27 V HA 0.457 4.577 4.120 -0.000 0.000 0.297 27 V C 1.797 177.822 176.094 -0.114 0.000 1.433 27 V CA 0.463 62.722 62.300 -0.070 0.000 1.052 27 V CB -0.364 31.456 31.823 -0.005 0.000 0.895 27 V HN 0.379 nan 8.190 nan 0.000 0.438 28 A N 1.386 124.150 122.820 -0.093 0.000 1.940 28 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 28 A C 0.107 177.675 177.584 -0.027 0.000 1.176 28 A CA 2.099 54.110 52.037 -0.044 0.000 0.631 28 A CB -1.587 17.293 19.000 -0.200 0.000 0.814 28 A HN 0.570 nan 8.150 nan 0.000 0.446 29 P HA -0.061 nan 4.420 nan 0.000 0.225 29 P C 0.985 178.170 177.300 -0.191 0.000 1.148 29 P CA 0.860 63.901 63.100 -0.099 0.000 0.779 29 P CB 0.027 31.657 31.700 -0.117 0.000 0.780 30 I N -2.574 117.834 120.570 -0.270 0.000 3.039 30 I HA -0.011 4.159 4.170 -0.000 0.000 0.270 30 I C 1.916 177.912 176.117 -0.202 0.000 1.150 30 I CA 0.559 61.697 61.300 -0.270 0.000 1.448 30 I CB -0.133 37.646 38.000 -0.367 0.000 1.197 30 I HN -0.173 nan 8.210 nan 0.000 0.450 31 L N 0.160 121.275 121.223 -0.180 0.000 2.249 31 L HA -0.008 4.331 4.340 -0.000 0.000 0.207 31 L C 1.664 178.577 176.870 0.072 0.000 1.090 31 L CA 0.649 55.407 54.840 -0.136 0.000 0.802 31 L CB -0.533 41.352 42.059 -0.290 0.000 0.947 31 L HN 0.127 nan 8.230 nan 0.000 0.453 32 D N 0.226 120.689 120.400 0.105 0.000 2.271 32 D HA -0.169 4.471 4.640 -0.000 0.000 0.207 32 D C 1.961 178.307 176.300 0.077 0.000 0.983 32 D CA 1.627 55.708 54.000 0.135 0.000 0.878 32 D CB 0.082 40.983 40.800 0.169 0.000 0.920 32 D HN 0.344 nan 8.370 nan 0.000 0.479 33 S N -1.078 114.648 115.700 0.044 0.000 2.701 33 S HA 0.143 4.613 4.470 -0.000 0.000 0.242 33 S C 0.381 174.997 174.600 0.027 0.000 1.025 33 S CA -0.671 57.545 58.200 0.027 0.000 1.016 33 S CB 0.012 63.217 63.200 0.008 0.000 0.977 33 S HN 0.066 nan 8.310 nan 0.000 0.546 34 L N 2.925 124.169 121.223 0.034 0.000 2.514 34 L HA 0.337 4.677 4.340 -0.000 0.000 0.280 34 L C -0.240 176.673 176.870 0.071 0.000 1.223 34 L CA 1.107 55.973 54.840 0.043 0.000 0.864 34 L CB 0.157 42.247 42.059 0.052 0.000 1.118 34 L HN 0.286 nan 8.230 nan 0.000 0.494 35 E N 5.378 125.614 120.200 0.060 0.000 2.207 35 E HA 0.289 4.639 4.350 -0.000 0.000 0.250 35 E C -0.981 175.659 176.600 0.067 0.000 0.890 35 E CA -0.448 55.986 56.400 0.057 0.000 0.749 35 E CB 0.893 30.613 29.700 0.034 0.000 1.193 35 E HN 0.555 nan 8.360 nan 0.000 0.423 36 L N 5.808 127.085 121.223 0.089 0.000 2.615 36 L HA 0.069 4.409 4.340 -0.000 0.000 0.271 36 L C -1.518 175.384 176.870 0.053 0.000 1.183 36 L CA -1.024 53.869 54.840 0.088 0.000 0.933 36 L CB -0.557 41.554 42.059 0.087 0.000 1.199 36 L HN 0.282 nan 8.230 nan 0.000 0.487 37 P HA 0.200 nan 4.420 nan 0.000 0.273 37 P C -2.592 174.719 177.300 0.019 0.000 1.250 37 P CA -1.514 61.600 63.100 0.023 0.000 0.793 37 P CB -0.268 31.439 31.700 0.010 0.000 1.011 38 P HA 0.145 nan 4.420 nan 0.000 0.267 38 P C 0.856 178.160 177.300 0.007 0.000 1.209 38 P CA 1.248 64.352 63.100 0.007 0.000 0.763 38 P CB -0.255 31.446 31.700 0.001 0.000 0.816 39 G N 1.672 110.482 108.800 0.016 0.000 2.184 39 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.206 39 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.206 39 G C -0.104 174.834 174.900 0.063 0.000 0.995 39 G CA 0.006 45.121 45.100 0.026 0.000 0.651 39 G HN 0.722 nan 8.290 nan 0.000 0.511 40 V N -1.531 118.419 119.914 0.061 0.000 2.656 40 V HA 0.968 5.088 4.120 -0.000 0.000 0.307 40 V C -0.133 175.976 176.094 0.025 0.000 1.051 40 V CA 0.050 62.403 62.300 0.089 0.000 0.893 40 V CB 1.813 33.712 31.823 0.127 0.000 0.999 40 V HN 0.468 nan 8.190 nan 0.000 0.426 41 T N 2.868 117.405 114.554 -0.028 0.000 2.930 41 T HA 0.959 5.309 4.350 -0.000 0.000 0.290 41 T C -0.174 174.426 174.700 -0.166 0.000 1.052 41 T CA -0.178 61.879 62.100 -0.070 0.000 1.017 41 T CB 1.810 70.635 68.868 -0.071 0.000 1.137 41 T HN 1.578 nan 8.240 nan 0.000 0.511 42 A N 1.547 124.267 122.820 -0.167 0.000 2.515 42 A HA 0.915 5.235 4.320 -0.000 0.000 0.298 42 A C -1.216 176.256 177.584 -0.187 0.000 1.059 42 A CA -0.952 50.904 52.037 -0.302 0.000 0.698 42 A CB 1.070 19.877 19.000 -0.322 0.000 1.289 42 A HN 0.951 nan 8.150 nan 0.000 0.404 43 I N -1.332 119.105 120.570 -0.223 0.000 2.827 43 I HA 0.775 4.945 4.170 -0.000 0.000 0.298 43 I C -0.470 175.608 176.117 -0.064 0.000 1.235 43 I CA -0.550 60.686 61.300 -0.107 0.000 1.021 43 I CB 1.970 39.904 38.000 -0.110 0.000 1.259 43 I HN 0.575 nan 8.210 nan 0.000 0.427 44 T N 2.126 116.688 114.554 0.013 0.000 2.938 44 T HA 0.964 5.314 4.350 -0.000 0.000 0.285 44 T C -0.132 174.569 174.700 0.003 0.000 1.028 44 T CA 0.144 62.279 62.100 0.057 0.000 1.005 44 T CB 1.808 70.774 68.868 0.164 0.000 1.157 44 T HN 1.285 nan 8.240 nan 0.000 0.550 45 G N 0.098 108.889 108.800 -0.015 0.000 2.392 45 G HA2 0.438 4.398 3.960 -0.000 0.000 0.260 45 G HA3 0.438 4.398 3.960 -0.000 0.000 0.260 45 G C -0.912 173.949 174.900 -0.064 0.000 1.226 45 G CA 0.038 45.117 45.100 -0.035 0.000 0.913 45 G HN 1.415 nan 8.290 nan 0.000 0.483 46 V N -1.349 118.542 119.914 -0.037 0.000 2.713 46 V HA 0.711 4.831 4.120 -0.000 0.000 0.307 46 V C -1.304 174.802 176.094 0.020 0.000 1.052 46 V CA -1.498 60.792 62.300 -0.017 0.000 0.967 46 V CB 1.551 33.383 31.823 0.015 0.000 1.019 46 V HN 0.484 nan 8.190 nan 0.000 0.459 47 P HA -0.196 nan 4.420 nan 0.000 0.218 47 P C 1.747 179.076 177.300 0.049 0.000 1.165 47 P CA 2.772 65.932 63.100 0.099 0.000 0.922 47 P CB -0.148 31.648 31.700 0.159 0.000 0.794 48 T N -0.586 113.996 114.554 0.047 0.000 2.624 48 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 48 T C 1.181 175.885 174.700 0.008 0.000 1.041 48 T CA 1.070 63.187 62.100 0.028 0.000 1.159 48 T CB -0.646 68.239 68.868 0.029 0.000 0.863 48 T HN 0.190 nan 8.240 nan 0.000 0.434 52 A N 1.242 124.030 122.820 -0.052 0.000 1.917 52 A HA 0.080 4.400 4.320 -0.000 0.000 0.219 52 A C 2.181 179.734 177.584 -0.053 0.000 1.182 52 A CA 2.857 54.865 52.037 -0.048 0.000 0.633 52 A CB -1.063 17.921 19.000 -0.027 0.000 0.819 52 A HN 0.441 nan 8.150 nan 0.000 0.448 53 A N -0.597 122.191 122.820 -0.054 0.000 1.883 53 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 53 A C 2.164 179.705 177.584 -0.072 0.000 1.186 53 A CA 1.856 53.855 52.037 -0.064 0.000 0.624 53 A CB -0.676 18.279 19.000 -0.074 0.000 0.822 53 A HN 0.732 nan 8.150 nan 0.000 0.444 54 L N -0.342 120.837 121.223 -0.073 0.000 1.994 54 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 54 L C 2.356 179.192 176.870 -0.056 0.000 1.071 54 L CA 1.830 56.631 54.840 -0.066 0.000 0.745 54 L CB -0.537 41.488 42.059 -0.056 0.000 0.892 54 L HN 0.405 nan 8.230 nan 0.000 0.431 55 L N -0.855 120.323 121.223 -0.076 0.000 2.046 55 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 55 L C 2.657 179.508 176.870 -0.032 0.000 1.077 55 L CA 1.522 56.323 54.840 -0.065 0.000 0.747 55 L CB -0.740 41.257 42.059 -0.104 0.000 0.896 55 L HN 0.545 nan 8.230 nan 0.000 0.432 56 S N -0.968 114.710 115.700 -0.036 0.000 2.325 56 S HA 0.050 4.520 4.470 -0.000 0.000 0.213 56 S C 1.551 176.135 174.600 -0.026 0.000 1.031 56 S CA 0.948 59.133 58.200 -0.025 0.000 0.984 56 S CB -0.145 63.038 63.200 -0.028 0.000 0.939 56 S HN 0.426 nan 8.310 nan 0.000 0.438 57 G N -0.066 108.709 108.800 -0.042 0.000 3.987 57 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.220 57 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.220 57 G C 0.595 175.451 174.900 -0.074 0.000 0.871 57 G CA 0.225 45.295 45.100 -0.050 0.000 0.881 57 G HN 0.298 nan 8.290 nan 0.000 0.674 58 E N 0.066 120.224 120.200 -0.071 0.000 2.331 58 E HA 0.052 4.402 4.350 -0.000 0.000 0.199 58 E C 0.701 177.230 176.600 -0.120 0.000 1.008 58 E CA 0.972 57.323 56.400 -0.081 0.000 0.843 58 E CB 0.448 30.107 29.700 -0.069 0.000 0.761 58 E HN 0.389 nan 8.360 nan 0.000 0.507 59 V N 0.657 120.488 119.914 -0.138 0.000 3.087 59 V HA 0.093 4.213 4.120 -0.000 0.000 0.306 59 V C -0.250 175.718 176.094 -0.210 0.000 1.187 59 V CA -0.653 61.527 62.300 -0.200 0.000 0.999 59 V CB 2.548 34.259 31.823 -0.187 0.000 1.049 59 V HN -0.121 nan 8.190 nan 0.000 0.431 60 D N 2.000 122.200 120.400 -0.332 0.000 2.449 60 D HA 0.345 4.985 4.640 -0.000 0.000 0.210 60 D C -0.021 176.195 176.300 -0.142 0.000 1.094 60 D CA 0.675 54.485 54.000 -0.317 0.000 0.846 60 D CB 2.186 42.542 40.800 -0.741 0.000 1.003 60 D HN 0.335 nan 8.370 nan 0.000 0.504 61 I N 0.151 120.632 120.570 -0.149 0.000 2.787 61 I HA 0.516 4.686 4.170 -0.000 0.000 0.294 61 I C -2.131 173.994 176.117 0.014 0.000 1.365 61 I CA -0.543 60.795 61.300 0.064 0.000 1.029 61 I CB 2.100 40.218 38.000 0.196 0.000 1.313 61 I HN -0.122 nan 8.210 nan 0.000 0.431 62 A N 4.489 127.390 122.820 0.134 0.000 2.608 62 A HA 0.493 4.813 4.320 -0.000 0.000 0.292 62 A C -1.816 175.716 177.584 -0.087 0.000 1.066 62 A CA -0.799 51.299 52.037 0.102 0.000 0.676 62 A CB 1.406 20.399 19.000 -0.012 0.000 1.277 62 A HN 0.692 nan 8.150 nan 0.000 0.413 63 N N 1.077 119.598 118.700 -0.300 0.000 2.469 63 N HA 0.411 5.151 4.740 -0.000 0.000 0.239 63 N C -0.190 175.113 175.510 -0.344 0.000 1.053 63 N CA 0.039 52.599 53.050 -0.818 0.000 0.937 63 N CB 1.047 38.763 38.487 -1.284 0.000 1.163 63 N HN 1.047 nan 8.380 nan 0.000 0.509 64 V N -0.247 119.529 119.914 -0.229 0.000 2.881 64 V HA 0.653 4.773 4.120 -0.000 0.000 0.316 64 V C 0.661 176.740 176.094 -0.024 0.000 1.070 64 V CA -1.157 61.102 62.300 -0.067 0.000 0.976 64 V CB 1.157 32.978 31.823 -0.003 0.000 1.038 64 V HN 0.671 nan 8.190 nan 0.000 0.446 65 S N 2.116 117.841 115.700 0.042 0.000 2.576 65 S HA 0.398 4.868 4.470 -0.000 0.000 0.272 65 S C 1.431 176.113 174.600 0.137 0.000 1.352 65 S CA 0.123 58.372 58.200 0.082 0.000 1.021 65 S CB 0.912 64.173 63.200 0.101 0.000 0.887 65 S HN 1.935 nan 8.310 nan 0.000 0.542 66 A N 2.228 125.127 122.820 0.132 0.000 1.908 66 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 66 A C 2.168 179.913 177.584 0.270 0.000 1.181 66 A CA 1.843 53.989 52.037 0.180 0.000 0.627 66 A CB -1.359 17.635 19.000 -0.010 0.000 0.818 66 A HN 0.897 nan 8.150 nan 0.000 0.445 67 V N -0.083 119.993 119.914 0.270 0.000 2.407 67 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 67 V C 2.551 178.765 176.094 0.200 0.000 1.055 67 V CA 2.357 64.820 62.300 0.271 0.000 1.049 67 V CB -0.785 31.203 31.823 0.274 0.000 0.662 67 V HN 0.709 nan 8.190 nan 0.000 0.455 68 E N 0.447 120.771 120.200 0.206 0.000 2.051 68 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 68 E C 1.923 178.693 176.600 0.285 0.000 0.991 68 E CA 1.649 58.179 56.400 0.218 0.000 0.799 68 E CB -0.477 29.301 29.700 0.131 0.000 0.748 68 E HN 0.507 nan 8.360 nan 0.000 0.449 69 F N 0.702 120.711 119.950 0.099 0.000 2.102 69 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 69 F C 1.908 177.755 175.800 0.078 0.000 1.105 69 F CA 1.542 59.588 58.000 0.078 0.000 1.239 69 F CB -0.459 38.576 39.000 0.058 0.000 0.991 69 F HN 0.067 nan 8.300 nan 0.000 0.474 70 I N 0.346 120.798 120.570 -0.197 0.000 2.179 70 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 70 I C 2.516 178.500 176.117 -0.222 0.000 1.088 70 I CA 1.425 62.510 61.300 -0.358 0.000 1.357 70 I CB -0.567 37.293 38.000 -0.234 0.000 1.051 70 I HN 0.037 nan 8.210 nan 0.000 0.409 71 R N -0.148 120.300 120.500 -0.087 0.000 2.200 71 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 71 R C 0.620 176.689 176.300 -0.386 0.000 1.127 71 R CA 1.079 57.071 56.100 -0.180 0.000 0.989 71 R CB -0.263 29.960 30.300 -0.128 0.000 0.869 71 R HN 0.511 nan 8.270 nan 0.000 0.459 72 H N -1.883 117.126 119.070 -0.103 0.000 2.549 72 H HA 0.301 4.857 4.556 -0.000 0.000 0.253 72 H C 0.749 175.992 175.328 -0.142 0.000 1.170 72 H CA 0.046 56.045 56.048 -0.082 0.000 0.943 72 H CB 0.909 30.659 29.762 -0.020 0.000 1.849 72 H HN 0.120 nan 8.280 nan 0.000 0.603 73 A N 0.708 123.404 122.820 -0.207 0.000 2.125 73 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 73 A C 1.896 179.389 177.584 -0.151 0.000 1.156 73 A CA 1.543 53.382 52.037 -0.329 0.000 0.671 73 A CB -0.128 18.597 19.000 -0.459 0.000 0.794 73 A HN 0.613 nan 8.150 nan 0.000 0.459 74 D N 0.010 120.352 120.400 -0.097 0.000 2.097 74 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 74 D C 1.646 177.931 176.300 -0.024 0.000 0.989 74 D CA 1.989 55.952 54.000 -0.061 0.000 0.827 74 D CB -0.945 39.821 40.800 -0.056 0.000 0.966 74 D HN 0.524 nan 8.370 nan 0.000 0.456 75 T N -2.235 112.325 114.554 0.009 0.000 3.023 75 T HA 0.338 4.688 4.350 -0.000 0.000 0.253 75 T C 0.940 175.659 174.700 0.032 0.000 1.038 75 T CA -0.435 61.682 62.100 0.030 0.000 0.962 75 T CB 0.082 68.981 68.868 0.051 0.000 1.018 75 T HN 0.017 nan 8.240 nan 0.000 0.521 76 L N 1.203 122.446 121.223 0.034 0.000 2.333 76 L HA 0.870 5.210 4.340 -0.000 0.000 0.269 76 L C -0.297 176.602 176.870 0.049 0.000 1.010 76 L CA -1.412 53.452 54.840 0.039 0.000 0.818 76 L CB 1.950 44.097 42.059 0.147 0.000 1.306 76 L HN 0.187 nan 8.230 nan 0.000 0.430 77 A N 1.255 123.963 122.820 -0.187 0.000 2.413 77 A HA 0.944 5.264 4.320 -0.000 0.000 0.307 77 A C -1.004 176.298 177.584 -0.471 0.000 1.087 77 A CA -0.462 51.420 52.037 -0.258 0.000 0.750 77 A CB 1.865 20.607 19.000 -0.431 0.000 1.296 77 A HN 0.753 nan 8.150 nan 0.000 0.423 78 A N 0.792 123.492 122.820 -0.199 0.000 2.356 78 A HA 0.732 5.052 4.320 -0.000 0.000 0.323 78 A C -0.328 177.448 177.584 0.319 0.000 1.119 78 A CA -0.624 51.342 52.037 -0.118 0.000 0.790 78 A CB 0.552 19.261 19.000 -0.485 0.000 1.273 78 A HN 0.872 nan 8.150 nan 0.000 0.452 79 L N 2.023 123.476 121.223 0.383 0.000 2.483 79 L HA 0.189 4.529 4.340 -0.000 0.000 0.276 79 L C -1.039 175.991 176.870 0.266 0.000 1.213 79 L CA -1.105 53.960 54.840 0.375 0.000 0.843 79 L CB 0.691 42.931 42.059 0.301 0.000 1.107 79 L HN 0.629 nan 8.230 nan 0.000 0.487 80 P HA -0.049 nan 4.420 nan 0.000 0.245 80 P C 0.016 177.269 177.300 -0.079 0.000 1.206 80 P CA 0.721 63.825 63.100 0.008 0.000 0.781 80 P CB 0.279 32.031 31.700 0.086 0.000 0.994 81 D N -1.676 118.729 120.400 0.009 0.000 2.620 81 D HA 0.122 4.762 4.640 -0.000 0.000 0.260 81 D C -0.694 175.387 176.300 -0.365 0.000 1.367 81 D CA -0.446 53.477 54.000 -0.128 0.000 0.805 81 D CB -0.544 40.182 40.800 -0.124 0.000 1.096 81 D HN 0.028 nan 8.370 nan 0.000 0.488 82 F N 1.564 121.420 119.950 -0.157 0.000 2.547 82 F HA 0.505 5.032 4.527 -0.000 0.000 0.316 82 F C 0.151 175.990 175.800 0.064 0.000 1.121 82 F CA -0.294 57.571 58.000 -0.226 0.000 0.911 82 F CB 2.308 41.003 39.000 -0.508 0.000 1.179 82 F HN 0.002 nan 8.300 nan 0.000 0.443 83 S N 1.231 117.100 115.700 0.282 0.000 2.611 83 S HA 0.785 5.255 4.470 -0.000 0.000 0.268 83 S C -2.020 172.832 174.600 0.421 0.000 1.156 83 S CA -0.921 57.502 58.200 0.371 0.000 0.817 83 S CB 1.754 65.036 63.200 0.137 0.000 1.122 83 S HN 0.298 nan 8.310 nan 0.000 0.466 84 V N 1.158 121.252 119.914 0.300 0.000 2.340 84 V HA 0.830 4.950 4.120 -0.000 0.000 0.277 84 V C 0.227 176.462 176.094 0.235 0.000 1.017 84 V CA 0.327 62.758 62.300 0.220 0.000 0.820 84 V CB 0.184 32.078 31.823 0.118 0.000 1.028 84 V HN 1.320 nan 8.190 nan 0.000 0.436 85 A N 4.270 127.207 122.820 0.195 0.000 2.486 85 A HA 1.059 5.379 4.320 -0.000 0.000 0.289 85 A C -0.714 176.968 177.584 0.163 0.000 1.176 85 A CA -0.395 51.746 52.037 0.174 0.000 0.757 85 A CB 2.560 21.576 19.000 0.026 0.000 1.337 85 A HN 1.627 nan 8.150 nan 0.000 0.423 86 V N -2.421 117.563 119.914 0.116 0.000 3.242 86 V HA 0.830 4.950 4.120 -0.000 0.000 0.298 86 V C -1.895 174.213 176.094 0.024 0.000 1.352 86 V CA -0.736 61.561 62.300 -0.004 0.000 1.052 86 V CB 1.609 33.396 31.823 -0.059 0.000 1.101 86 V HN 1.522 nan 8.190 nan 0.000 0.446 87 L N 2.909 124.096 121.223 -0.060 0.000 2.377 87 L HA 0.974 5.314 4.340 -0.000 0.000 0.270 87 L C 0.305 177.070 176.870 -0.175 0.000 0.991 87 L CA 1.495 56.297 54.840 -0.063 0.000 0.851 87 L CB 0.697 42.687 42.059 -0.115 0.000 1.218 87 L HN 2.114 nan 8.230 nan 0.000 0.420 88 G N 4.603 113.328 108.800 -0.125 0.000 2.451 88 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.208 88 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.208 88 G C -2.970 171.838 174.900 -0.154 0.000 1.248 88 G CA -0.448 44.542 45.100 -0.182 0.000 0.989 88 G HN 0.605 nan 8.290 nan 0.000 0.559 89 P HA 0.289 nan 4.420 nan 0.000 0.266 89 P C 0.588 177.507 177.300 -0.636 0.000 1.195 89 P CA 0.825 63.585 63.100 -0.567 0.000 0.768 89 P CB 1.675 32.822 31.700 -0.922 0.000 0.838 90 V N 3.343 122.897 119.914 -0.601 0.000 3.455 90 V HA -0.015 4.105 4.120 -0.000 0.000 0.250 90 V C 0.597 176.564 176.094 -0.211 0.000 1.230 90 V CA 0.566 62.631 62.300 -0.391 0.000 1.105 90 V CB -1.081 30.591 31.823 -0.252 0.000 0.850 90 V HN 0.535 nan 8.190 nan 0.000 0.461 91 Y N -0.170 119.909 120.300 -0.368 0.000 4.916 91 Y HA -0.264 4.286 4.550 -0.000 0.000 0.247 91 Y C 1.607 177.316 175.900 -0.319 0.000 0.962 91 Y CA 1.042 58.807 58.100 -0.558 0.000 1.933 91 Y CB -2.281 35.732 38.460 -0.745 0.000 1.451 91 Y HN 0.334 nan 8.280 nan 0.000 0.539 92 S N -1.002 114.670 115.700 -0.047 0.000 2.603 92 S HA 0.431 4.901 4.470 -0.000 0.000 0.232 92 S C 0.182 174.694 174.600 -0.147 0.000 1.016 92 S CA 0.320 58.501 58.200 -0.032 0.000 0.976 92 S CB 1.152 64.419 63.200 0.112 0.000 0.921 92 S HN 0.076 nan 8.310 nan 0.000 0.516 93 V N 3.270 123.055 119.914 -0.216 0.000 2.383 93 V HA 0.363 4.483 4.120 -0.000 0.000 0.264 93 V C -0.915 175.097 176.094 -0.137 0.000 1.001 93 V CA -0.817 61.358 62.300 -0.209 0.000 0.828 93 V CB 0.472 32.083 31.823 -0.354 0.000 1.069 93 V HN 0.315 nan 8.190 nan 0.000 0.451 94 N N 3.005 121.672 118.700 -0.055 0.000 2.361 94 N HA 0.711 5.451 4.740 -0.000 0.000 0.302 94 N C -1.140 174.374 175.510 0.008 0.000 1.074 94 N CA -0.820 52.170 53.050 -0.100 0.000 0.850 94 N CB 2.747 41.088 38.487 -0.243 0.000 1.228 94 N HN 0.403 nan 8.380 nan 0.000 0.491 95 L N 2.894 124.090 121.223 -0.045 0.000 2.295 95 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 95 L C -1.616 175.335 176.870 0.135 0.000 1.018 95 L CA -0.369 54.533 54.840 0.105 0.000 0.841 95 L CB -0.186 41.920 42.059 0.078 0.000 1.218 95 L HN 0.443 nan 8.230 nan 0.000 0.424 96 F N 5.486 125.524 119.950 0.148 0.000 2.420 96 F HA 0.465 4.992 4.527 -0.000 0.000 0.352 96 F C 0.659 176.567 175.800 0.179 0.000 1.108 96 F CA -0.173 57.901 58.000 0.123 0.000 1.162 96 F CB 0.543 39.585 39.000 0.071 0.000 1.118 96 F HN 0.570 nan 8.300 nan 0.000 0.510 97 H N -0.535 118.646 119.070 0.184 0.000 2.980 97 H HA 0.379 4.935 4.556 -0.000 0.000 0.367 97 H C -0.575 174.821 175.328 0.113 0.000 1.206 97 H CA -1.084 55.045 56.048 0.135 0.000 1.126 97 H CB 1.436 31.254 29.762 0.094 0.000 1.838 97 H HN 0.492 nan 8.280 nan 0.000 0.552 98 T N -1.283 113.373 114.554 0.170 0.000 3.266 98 T HA 0.413 4.763 4.350 -0.000 0.000 0.278 98 T C 0.234 175.006 174.700 0.120 0.000 1.010 98 T CA 0.023 62.176 62.100 0.090 0.000 0.909 98 T CB -1.818 67.100 68.868 0.083 0.000 1.122 98 T HN 0.895 nan 8.240 nan 0.000 0.536 99 C N -2.113 117.318 119.300 0.219 0.000 3.292 99 C HA 0.628 5.088 4.460 -0.000 0.000 0.368 99 C C -3.266 171.879 174.990 0.257 0.000 1.141 99 C CA -1.991 57.137 59.018 0.183 0.000 1.194 99 C CB 0.467 28.280 27.740 0.121 0.000 1.533 99 C HN 0.128 nan 8.230 nan 0.000 0.532 100 P HA 0.047 nan 4.420 nan 0.000 0.263 100 P C 1.342 178.657 177.300 0.025 0.000 1.168 100 P CA 0.438 63.607 63.100 0.115 0.000 0.759 100 P CB 0.459 32.200 31.700 0.067 0.000 0.782 101 L N 5.244 126.417 121.223 -0.084 0.000 2.034 101 L HA -0.218 4.122 4.340 -0.000 0.000 0.217 101 L C -0.533 176.299 176.870 -0.063 0.000 1.077 101 L CA 2.289 57.031 54.840 -0.163 0.000 0.769 101 L CB -2.114 39.843 42.059 -0.170 0.000 0.890 101 L HN 0.467 nan 8.230 nan 0.000 0.435 102 P HA -0.170 nan 4.420 nan 0.000 0.219 102 P C 1.034 178.336 177.300 0.003 0.000 1.146 102 P CA 1.304 64.398 63.100 -0.010 0.000 0.808 102 P CB 0.023 31.721 31.700 -0.003 0.000 0.779 103 E N -1.446 118.761 120.200 0.012 0.000 2.479 103 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 103 E C 0.182 176.800 176.600 0.031 0.000 1.049 103 E CA -0.385 56.030 56.400 0.025 0.000 0.870 103 E CB -0.164 29.558 29.700 0.037 0.000 0.944 103 E HN 0.121 nan 8.360 nan 0.000 0.492 104 L N 1.692 122.926 121.223 0.019 0.000 2.513 104 L HA -0.059 4.281 4.340 -0.000 0.000 0.272 104 L C 1.154 178.047 176.870 0.038 0.000 1.187 104 L CA 0.711 55.569 54.840 0.030 0.000 0.895 104 L CB 0.338 42.393 42.059 -0.006 0.000 1.147 104 L HN -0.057 nan 8.230 nan 0.000 0.483 105 R N 3.556 124.090 120.500 0.057 0.000 2.194 105 R HA 0.299 4.639 4.340 -0.000 0.000 0.194 105 R C -0.070 176.277 176.300 0.078 0.000 0.985 105 R CA 0.344 56.477 56.100 0.056 0.000 1.104 105 R CB 0.395 30.723 30.300 0.047 0.000 1.092 105 R HN 0.548 nan 8.270 nan 0.000 0.555 106 R N 0.776 121.347 120.500 0.117 0.000 2.575 106 R HA 0.525 4.865 4.340 -0.000 0.000 0.293 106 R C -1.141 175.310 176.300 0.252 0.000 0.983 106 R CA -0.534 55.680 56.100 0.190 0.000 0.887 106 R CB 2.935 33.358 30.300 0.206 0.000 1.184 106 R HN -0.200 nan 8.270 nan 0.000 0.445 107 V N 1.663 121.683 119.914 0.177 0.000 2.604 107 V HA 0.616 4.736 4.120 -0.000 0.000 0.305 107 V C -0.296 175.682 176.094 -0.194 0.000 1.043 107 V CA -0.928 61.397 62.300 0.042 0.000 0.888 107 V CB 1.920 33.757 31.823 0.024 0.000 0.995 107 V HN 0.914 nan 8.190 nan 0.000 0.429 108 A N 5.535 128.071 122.820 -0.475 0.000 2.290 108 A HA 0.836 5.156 4.320 -0.000 0.000 0.310 108 A C -0.686 176.731 177.584 -0.279 0.000 1.202 108 A CA -0.437 51.178 52.037 -0.703 0.000 0.837 108 A CB 0.369 18.702 19.000 -1.111 0.000 1.139 108 A HN 0.810 nan 8.150 nan 0.000 0.509 109 L N 2.714 123.825 121.223 -0.188 0.000 2.262 109 L HA 0.404 4.744 4.340 -0.000 0.000 0.288 109 L C 0.685 177.516 176.870 -0.065 0.000 1.035 109 L CA -0.336 54.455 54.840 -0.082 0.000 0.820 109 L CB 1.425 43.459 42.059 -0.041 0.000 1.204 109 L HN 0.754 nan 8.230 nan 0.000 0.424 110 T N 0.662 115.191 114.554 -0.042 0.000 2.881 110 T HA 0.222 4.572 4.350 -0.000 0.000 0.278 110 T C 0.929 175.632 174.700 0.005 0.000 0.982 110 T CA 0.305 62.392 62.100 -0.022 0.000 0.989 110 T CB 0.923 69.779 68.868 -0.020 0.000 1.058 110 T HN 0.861 nan 8.240 nan 0.000 0.529 111 S N 1.036 116.746 115.700 0.017 0.000 3.309 111 S HA -0.307 4.163 4.470 -0.000 0.000 0.373 111 S C 0.266 174.890 174.600 0.040 0.000 1.083 111 S CA 1.562 59.784 58.200 0.036 0.000 1.059 111 S CB -2.463 60.770 63.200 0.055 0.000 0.901 111 S HN 1.034 nan 8.310 nan 0.000 0.505 112 Q N -0.854 118.964 119.800 0.029 0.000 2.426 112 Q HA -0.145 4.195 4.340 -0.000 0.000 0.359 112 Q C -0.019 176.006 176.000 0.043 0.000 1.381 112 Q CA 1.247 57.069 55.803 0.033 0.000 1.060 112 Q CB -2.252 26.507 28.738 0.035 0.000 1.253 112 Q HN 0.801 nan 8.270 nan 0.000 0.363 113 S N -0.744 114.979 115.700 0.038 0.000 2.422 113 S HA 0.778 5.248 4.470 -0.000 0.000 0.308 113 S C 0.332 174.962 174.600 0.051 0.000 1.097 113 S CA -0.073 58.154 58.200 0.044 0.000 1.099 113 S CB 0.753 63.968 63.200 0.024 0.000 0.976 113 S HN 0.613 nan 8.310 nan 0.000 0.471 117 V N 3.590 123.531 119.914 0.045 0.000 2.307 117 V HA 0.022 4.142 4.120 -0.000 0.000 0.245 117 V C 3.247 179.391 176.094 0.084 0.000 1.045 117 V CA 2.329 64.661 62.300 0.053 0.000 1.024 117 V CB -1.423 30.431 31.823 0.051 0.000 0.651 117 V HN 0.761 nan 8.190 nan 0.000 0.449 118 A N 0.029 122.927 122.820 0.130 0.000 1.892 118 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 118 A C 2.190 179.933 177.584 0.266 0.000 1.188 118 A CA 2.415 54.582 52.037 0.216 0.000 0.631 118 A CB -0.680 18.530 19.000 0.350 0.000 0.822 118 A HN 0.473 nan 8.150 nan 0.000 0.447 119 L N -0.962 120.356 121.223 0.158 0.000 2.093 119 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 119 L C 2.186 179.085 176.870 0.048 0.000 1.085 119 L CA 1.964 56.821 54.840 0.028 0.000 0.755 119 L CB -0.622 41.212 42.059 -0.375 0.000 0.904 119 L HN 0.350 nan 8.230 nan 0.000 0.435 120 L N -0.250 120.993 121.223 0.034 0.000 2.046 120 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 120 L C 2.350 179.255 176.870 0.058 0.000 1.077 120 L CA 1.766 56.626 54.840 0.033 0.000 0.747 120 L CB -0.695 41.377 42.059 0.022 0.000 0.896 120 L HN 0.416 nan 8.230 nan 0.000 0.432 121 E N -1.021 119.224 120.200 0.076 0.000 2.077 121 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 121 E C 2.195 178.848 176.600 0.090 0.000 0.989 121 E CA 1.490 57.933 56.400 0.073 0.000 0.800 121 E CB -0.330 29.413 29.700 0.071 0.000 0.746 121 E HN 0.394 nan 8.360 nan 0.000 0.452 122 V N 1.706 121.703 119.914 0.138 0.000 2.287 122 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 122 V C 2.334 178.516 176.094 0.147 0.000 1.053 122 V CA 1.624 64.027 62.300 0.172 0.000 1.027 122 V CB -0.450 31.558 31.823 0.308 0.000 0.646 122 V HN 0.251 nan 8.190 nan 0.000 0.447 123 L N -1.007 120.299 121.223 0.138 0.000 2.056 123 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 123 L C 2.381 179.281 176.870 0.050 0.000 1.078 123 L CA 1.458 56.356 54.840 0.097 0.000 0.749 123 L CB -0.522 41.585 42.059 0.080 0.000 0.901 123 L HN 0.287 nan 8.230 nan 0.000 0.433 124 L N -0.667 120.581 121.223 0.041 0.000 2.056 124 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 124 L C 2.832 179.715 176.870 0.023 0.000 1.078 124 L CA 1.077 55.930 54.840 0.022 0.000 0.749 124 L CB -0.508 41.563 42.059 0.019 0.000 0.901 124 L HN 0.243 nan 8.230 nan 0.000 0.433 125 R N 0.098 120.619 120.500 0.035 0.000 2.080 125 R HA -0.247 4.093 4.340 -0.000 0.000 0.236 125 R C 2.378 178.691 176.300 0.022 0.000 1.137 125 R CA 1.824 57.942 56.100 0.030 0.000 0.943 125 R CB -0.130 30.194 30.300 0.040 0.000 0.846 125 R HN 0.207 nan 8.270 nan 0.000 0.431 126 Q N 0.499 120.315 119.800 0.027 0.000 2.135 126 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 126 Q C 1.463 177.462 176.000 -0.002 0.000 0.981 126 Q CA 1.798 57.606 55.803 0.009 0.000 0.856 126 Q CB 0.134 28.876 28.738 0.007 0.000 0.902 126 Q HN 0.287 nan 8.270 nan 0.000 0.425 127 K N -1.406 118.994 120.400 0.001 0.000 2.525 127 K HA 0.123 4.443 4.320 -0.000 0.000 0.192 127 K C 0.693 177.290 176.600 -0.005 0.000 1.029 127 K CA 0.515 56.798 56.287 -0.007 0.000 1.029 127 K CB 0.208 32.702 32.500 -0.009 0.000 0.814 127 K HN 0.347 nan 8.250 nan 0.000 0.503 128 G N 1.705 110.505 108.800 0.000 0.000 2.160 128 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.251 128 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.251 128 G C -0.002 174.900 174.900 0.003 0.000 1.008 128 G CA 0.097 45.198 45.100 0.001 0.000 0.724 128 G HN 0.159 nan 8.290 nan 0.000 0.514 129 L N -0.118 121.107 121.223 0.004 0.000 2.358 129 L HA 0.761 5.101 4.340 -0.000 0.000 0.268 129 L C 0.916 177.792 176.870 0.010 0.000 1.032 129 L CA -0.150 54.693 54.840 0.004 0.000 0.805 129 L CB 2.000 44.058 42.059 -0.002 0.000 1.253 129 L HN 0.473 nan 8.230 nan 0.000 0.452 130 S N -1.058 114.650 115.700 0.012 0.000 2.607 130 S HA 0.258 4.728 4.470 -0.000 0.000 0.196 130 S C -2.104 172.510 174.600 0.022 0.000 0.911 130 S CA -0.901 57.309 58.200 0.017 0.000 1.133 130 S CB -0.415 62.795 63.200 0.017 0.000 1.612 130 S HN 0.474 nan 8.310 nan 0.000 0.437 131 P HA 0.254 nan 4.420 nan 0.000 0.271 131 P C 0.003 177.328 177.300 0.042 0.000 1.244 131 P CA -0.273 62.848 63.100 0.034 0.000 0.793 131 P CB 0.763 32.484 31.700 0.035 0.000 0.984 132 V N 1.604 121.552 119.914 0.057 0.000 2.530 132 V HA 0.178 4.298 4.120 -0.000 0.000 0.282 132 V C -0.303 175.837 176.094 0.077 0.000 1.048 132 V CA -0.381 61.957 62.300 0.064 0.000 0.997 132 V CB 0.168 32.034 31.823 0.072 0.000 0.987 132 V HN 0.275 nan 8.190 nan 0.000 0.477 133 L N 6.861 128.119 121.223 0.059 0.000 2.325 133 L HA 0.667 5.007 4.340 -0.000 0.000 0.278 133 L C -0.065 176.834 176.870 0.048 0.000 1.023 133 L CA 0.145 55.010 54.840 0.041 0.000 0.811 133 L CB 1.783 43.857 42.059 0.024 0.000 1.249 133 L HN 0.701 nan 8.230 nan 0.000 0.431 134 E N 2.353 122.568 120.200 0.026 0.000 2.308 134 E HA 0.432 4.782 4.350 -0.000 0.000 0.275 134 E C -1.042 175.548 176.600 -0.017 0.000 0.890 134 E CA -1.051 55.377 56.400 0.047 0.000 0.754 134 E CB 2.050 31.849 29.700 0.164 0.000 1.207 134 E HN 0.328 nan 8.360 nan 0.000 0.426 135 R N 1.111 121.617 120.500 0.011 0.000 2.623 135 R HA 0.545 4.885 4.340 -0.000 0.000 0.271 135 R C -0.442 175.857 176.300 -0.002 0.000 1.043 135 R CA 0.123 56.221 56.100 -0.004 0.000 1.083 135 R CB 0.789 31.100 30.300 0.018 0.000 0.974 135 R HN 0.591 nan 8.270 nan 0.000 0.436 136 A N 2.036 124.836 122.820 -0.033 0.000 2.590 136 A HA 0.344 4.664 4.320 -0.000 0.000 0.296 136 A C -1.480 176.090 177.584 -0.024 0.000 1.050 136 A CA -0.759 51.272 52.037 -0.010 0.000 0.697 136 A CB 1.697 20.669 19.000 -0.047 0.000 1.277 136 A HN 0.585 nan 8.150 nan 0.000 0.411 137 E N 0.131 120.338 120.200 0.012 0.000 2.244 137 E HA 0.815 5.165 4.350 -0.000 0.000 0.266 137 E C 0.088 176.695 176.600 0.011 0.000 0.914 137 E CA 0.607 57.010 56.400 0.005 0.000 0.794 137 E CB 1.955 31.663 29.700 0.014 0.000 1.210 137 E HN 2.240 nan 8.360 nan 0.000 0.414 138 G N 0.685 109.483 108.800 -0.004 0.000 2.359 138 G HA2 0.214 4.174 3.960 -0.000 0.000 0.314 138 G HA3 0.214 4.174 3.960 -0.000 0.000 0.314 138 G C -0.503 174.374 174.900 -0.039 0.000 1.364 138 G CA -0.337 44.759 45.100 -0.007 0.000 0.978 138 G HN 0.810 nan 8.290 nan 0.000 0.615 139 T N -1.243 113.279 114.554 -0.053 0.000 2.828 139 T HA 0.612 4.962 4.350 -0.000 0.000 0.290 139 T C 1.912 176.518 174.700 -0.157 0.000 1.019 139 T CA 0.907 62.941 62.100 -0.110 0.000 1.031 139 T CB 1.436 70.243 68.868 -0.102 0.000 1.001 139 T HN 2.136 nan 8.240 nan 0.000 0.531 140 A N 0.731 123.358 122.820 -0.321 0.000 1.908 140 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 140 A C 2.287 179.758 177.584 -0.188 0.000 1.181 140 A CA 1.815 53.621 52.037 -0.384 0.000 0.627 140 A CB -1.035 17.293 19.000 -1.121 0.000 0.818 140 A HN 0.986 nan 8.150 nan 0.000 0.445 141 E N -0.243 119.851 120.200 -0.177 0.000 2.106 141 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 141 E C 2.318 178.902 176.600 -0.026 0.000 0.984 141 E CA 1.084 57.440 56.400 -0.073 0.000 0.806 141 E CB -0.081 29.578 29.700 -0.068 0.000 0.750 141 E HN 0.629 nan 8.360 nan 0.000 0.458 142 S N 1.175 116.858 115.700 -0.030 0.000 2.349 142 S HA -0.154 4.316 4.470 -0.000 0.000 0.216 142 S C 2.056 176.684 174.600 0.047 0.000 1.033 142 S CA 0.953 59.157 58.200 0.005 0.000 1.021 142 S CB -0.417 62.785 63.200 0.003 0.000 0.968 142 S HN 0.180 nan 8.310 nan 0.000 0.426 143 L N 0.794 122.061 121.223 0.073 0.000 2.081 143 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 143 L C 2.230 179.238 176.870 0.230 0.000 1.080 143 L CA 0.715 55.675 54.840 0.200 0.000 0.754 143 L CB -0.566 41.591 42.059 0.163 0.000 0.893 143 L HN 0.227 nan 8.230 nan 0.000 0.433 144 L N -0.264 121.040 121.223 0.136 0.000 2.362 144 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 144 L C 2.090 179.010 176.870 0.083 0.000 1.134 144 L CA 1.429 56.347 54.840 0.129 0.000 0.807 144 L CB -0.753 41.364 42.059 0.097 0.000 0.927 144 L HN 0.162 nan 8.230 nan 0.000 0.447 145 A N -1.705 121.150 122.820 0.059 0.000 2.500 145 A HA 0.681 5.001 4.320 -0.000 0.000 0.267 145 A C 1.146 178.741 177.584 0.018 0.000 1.290 145 A CA 0.460 52.515 52.037 0.030 0.000 0.928 145 A CB -0.255 18.756 19.000 0.019 0.000 1.066 145 A HN 0.176 nan 8.150 nan 0.000 0.516 146 A N -1.451 121.383 122.820 0.023 0.000 2.806 146 A HA 0.524 4.844 4.320 -0.000 0.000 0.266 146 A C 1.216 178.708 177.584 -0.153 0.000 0.926 146 A CA 0.583 52.604 52.037 -0.026 0.000 1.068 146 A CB -0.733 18.280 19.000 0.021 0.000 1.189 146 A HN 1.715 nan 8.150 nan 0.000 0.481 147 G N -0.964 107.756 108.800 -0.134 0.000 2.241 147 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 147 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 147 G C 0.078 174.836 174.900 -0.237 0.000 0.998 147 G CA 0.376 45.339 45.100 -0.228 0.000 0.621 147 G HN 0.584 nan 8.290 nan 0.000 0.519 148 Y N 1.301 121.620 120.300 0.032 0.000 2.304 148 Y HA 0.445 4.995 4.550 -0.000 0.000 0.328 148 Y C 1.371 177.306 175.900 0.058 0.000 1.123 148 Y CA -0.376 57.750 58.100 0.043 0.000 1.218 148 Y CB 1.054 39.541 38.460 0.045 0.000 1.207 148 Y HN -0.017 nan 8.280 nan 0.000 0.495 149 D N 1.461 122.007 120.400 0.243 0.000 2.162 149 D HA 0.077 4.717 4.640 -0.000 0.000 0.203 149 D C 0.779 177.207 176.300 0.213 0.000 0.967 149 D CA 0.932 55.041 54.000 0.181 0.000 0.840 149 D CB 0.234 41.118 40.800 0.140 0.000 0.972 149 D HN 0.708 nan 8.370 nan 0.000 0.482 150 G N -0.967 107.960 108.800 0.211 0.000 2.660 150 G HA2 0.549 4.509 3.960 -0.000 0.000 0.294 150 G HA3 0.549 4.509 3.960 -0.000 0.000 0.294 150 G C -1.595 173.384 174.900 0.131 0.000 1.369 150 G CA -0.409 44.813 45.100 0.203 0.000 0.912 150 G HN -0.077 nan 8.290 nan 0.000 0.479 151 V N 1.370 121.379 119.914 0.158 0.000 2.567 151 V HA 0.361 4.481 4.120 -0.000 0.000 0.298 151 V C -0.729 175.462 176.094 0.160 0.000 1.047 151 V CA -0.684 61.660 62.300 0.075 0.000 0.880 151 V CB 1.442 33.288 31.823 0.039 0.000 1.009 151 V HN 0.760 nan 8.190 nan 0.000 0.429 152 L N 6.649 127.916 121.223 0.074 0.000 2.331 152 L HA 0.652 4.992 4.340 -0.000 0.000 0.278 152 L C 0.050 176.978 176.870 0.097 0.000 1.106 152 L CA 0.565 55.463 54.840 0.097 0.000 0.824 152 L CB 0.470 42.550 42.059 0.036 0.000 1.142 152 L HN 0.621 nan 8.230 nan 0.000 0.443 153 R N 5.368 125.960 120.500 0.153 0.000 2.698 153 R HA 0.693 5.033 4.340 -0.000 0.000 0.275 153 R C -1.354 174.994 176.300 0.080 0.000 1.001 153 R CA -0.815 55.357 56.100 0.121 0.000 0.896 153 R CB 2.041 32.444 30.300 0.172 0.000 1.218 153 R HN 0.652 nan 8.270 nan 0.000 0.462 154 I N -1.972 118.613 120.570 0.025 0.000 3.174 154 I HA 0.849 5.019 4.170 -0.000 0.000 0.313 154 I C 0.496 176.587 176.117 -0.044 0.000 1.155 154 I CA -0.553 60.716 61.300 -0.051 0.000 0.977 154 I CB 1.665 39.593 38.000 -0.121 0.000 1.248 154 I HN 0.809 nan 8.210 nan 0.000 0.453 155 G N 1.775 110.501 108.800 -0.123 0.000 2.693 155 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.226 155 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.226 155 G C 0.093 175.022 174.900 0.049 0.000 1.354 155 G CA 0.334 45.395 45.100 -0.064 0.000 0.873 155 G HN 0.832 nan 8.290 nan 0.000 0.562 156 D N 0.211 120.689 120.400 0.130 0.000 2.133 156 D HA -0.096 4.544 4.640 -0.000 0.000 0.192 156 D C 1.977 178.320 176.300 0.073 0.000 1.001 156 D CA 1.789 55.841 54.000 0.087 0.000 0.844 156 D CB -0.280 40.594 40.800 0.124 0.000 0.944 156 D HN 0.484 nan 8.370 nan 0.000 0.447 157 D N 0.421 120.873 120.400 0.087 0.000 2.149 157 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 157 D C 2.015 178.377 176.300 0.104 0.000 0.990 157 D CA 1.225 55.270 54.000 0.075 0.000 0.839 157 D CB -0.264 40.569 40.800 0.054 0.000 0.948 157 D HN 0.192 nan 8.370 nan 0.000 0.460 158 A N 0.709 123.602 122.820 0.121 0.000 1.898 158 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 158 A C 2.156 179.909 177.584 0.281 0.000 1.181 158 A CA 0.890 53.059 52.037 0.220 0.000 0.620 158 A CB -0.615 18.470 19.000 0.141 0.000 0.819 158 A HN 0.226 nan 8.150 nan 0.000 0.442 159 L N -0.217 121.093 121.223 0.145 0.000 2.027 159 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 159 L C 2.467 179.522 176.870 0.308 0.000 1.074 159 L CA 1.811 56.732 54.840 0.135 0.000 0.745 159 L CB -0.582 41.375 42.059 -0.170 0.000 0.898 159 L HN 0.309 nan 8.230 nan 0.000 0.433 160 R N -0.329 120.288 120.500 0.195 0.000 2.070 160 R HA -0.182 4.158 4.340 -0.000 0.000 0.233 160 R C 2.183 178.633 176.300 0.250 0.000 1.137 160 R CA 1.948 58.166 56.100 0.197 0.000 0.945 160 R CB -0.446 29.920 30.300 0.110 0.000 0.845 160 R HN 0.509 nan 8.270 nan 0.000 0.430 161 E N -0.515 119.820 120.200 0.224 0.000 2.153 161 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 161 E C 1.580 178.445 176.600 0.441 0.000 0.988 161 E CA 1.192 57.698 56.400 0.177 0.000 0.811 161 E CB -0.174 29.463 29.700 -0.106 0.000 0.746 161 E HN 0.402 nan 8.360 nan 0.000 0.466 162 W N 0.336 121.900 121.300 0.440 0.000 2.355 162 W HA -0.279 4.381 4.660 0.000 0.000 0.309 162 W C 1.971 178.621 176.519 0.218 0.000 1.206 162 W CA 1.476 59.017 57.345 0.327 0.000 1.284 162 W CB -0.621 28.945 29.460 0.177 0.000 1.145 162 W HN 0.084 nan 8.180 nan 0.000 0.502 163 Y N 1.207 121.452 120.300 -0.092 0.000 2.242 163 Y HA -0.014 4.536 4.550 -0.000 0.000 0.291 163 Y C 2.540 178.265 175.900 -0.292 0.000 1.137 163 Y CA 2.397 60.208 58.100 -0.483 0.000 1.181 163 Y CB -0.899 37.496 38.460 -0.108 0.000 0.989 163 Y HN 0.009 nan 8.280 nan 0.000 0.527 164 G N -1.067 107.705 108.800 -0.047 0.000 2.448 164 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 164 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 164 G C 1.572 176.374 174.900 -0.163 0.000 1.127 164 G CA 1.300 46.344 45.100 -0.093 0.000 0.766 164 G HN 0.363 nan 8.290 nan 0.000 0.552 165 V N 0.397 120.220 119.914 -0.151 0.000 2.341 165 V HA 0.022 4.142 4.120 -0.000 0.000 0.240 165 V C 2.004 177.939 176.094 -0.265 0.000 1.035 165 V CA 1.137 63.361 62.300 -0.127 0.000 1.033 165 V CB -0.156 31.685 31.823 0.031 0.000 0.678 165 V HN 0.335 nan 8.190 nan 0.000 0.464 166 V N -1.032 118.610 119.914 -0.453 0.000 3.709 166 V HA 0.823 4.943 4.120 -0.000 0.000 0.276 166 V C 0.867 176.599 176.094 -0.604 0.000 0.967 166 V CA -0.211 61.800 62.300 -0.481 0.000 0.944 166 V CB -0.282 31.194 31.823 -0.579 0.000 1.243 166 V HN 0.958 nan 8.190 nan 0.000 0.413 167 G N 0.252 108.748 108.800 -0.507 0.000 2.740 167 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.250 167 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.250 167 G C -2.222 172.418 174.900 -0.433 0.000 1.358 167 G CA -0.156 44.625 45.100 -0.531 0.000 0.897 167 G HN 1.094 nan 8.290 nan 0.000 0.567 168 P HA 0.291 nan 4.420 nan 0.000 0.267 168 P C 0.020 177.252 177.300 -0.113 0.000 1.195 168 P CA -0.259 62.674 63.100 -0.280 0.000 0.773 168 P CB 0.358 31.997 31.700 -0.100 0.000 0.837 169 L N 2.715 123.993 121.223 0.091 0.000 2.270 169 L HA 0.318 4.658 4.340 -0.000 0.000 0.286 169 L C 0.177 177.107 176.870 0.100 0.000 1.059 169 L CA 0.207 55.130 54.840 0.138 0.000 0.839 169 L CB -0.057 42.165 42.059 0.271 0.000 1.221 169 L HN 0.240 nan 8.230 nan 0.000 0.431 170 T N 5.284 119.871 114.554 0.056 0.000 2.882 170 T HA 0.342 4.692 4.350 -0.000 0.000 0.287 170 T C -1.554 173.172 174.700 0.043 0.000 1.014 170 T CA -1.453 60.672 62.100 0.042 0.000 1.049 170 T CB 1.341 70.223 68.868 0.023 0.000 1.001 170 T HN 0.532 nan 8.240 nan 0.000 0.525 171 P HA -0.100 nan 4.420 nan 0.000 0.218 171 P C 0.092 177.407 177.300 0.025 0.000 1.147 171 P CA 1.062 64.178 63.100 0.027 0.000 0.827 171 P CB 0.066 31.777 31.700 0.019 0.000 0.778 172 E N 0.239 120.454 120.200 0.026 0.000 2.231 172 E HA 0.284 4.634 4.350 -0.000 0.000 0.277 172 E C -0.301 176.321 176.600 0.036 0.000 0.999 172 E CA -0.812 55.603 56.400 0.025 0.000 0.827 172 E CB 0.929 30.641 29.700 0.020 0.000 1.101 172 E HN 0.023 nan 8.360 nan 0.000 0.393 173 R N 0.533 121.056 120.500 0.037 0.000 1.430 173 R HA -0.143 4.197 4.340 -0.000 0.000 0.404 173 R C 0.199 176.542 176.300 0.072 0.000 1.314 173 R CA 0.835 56.966 56.100 0.051 0.000 1.171 173 R CB -1.189 29.143 30.300 0.052 0.000 3.410 173 R HN 0.947 nan 8.270 nan 0.000 0.488 177 S N 0.767 116.593 115.700 0.209 0.000 2.629 177 S HA 0.438 4.908 4.470 -0.000 0.000 0.236 177 S C 0.468 175.164 174.600 0.161 0.000 1.010 177 S CA -0.515 57.783 58.200 0.163 0.000 0.981 177 S CB -0.002 63.270 63.200 0.120 0.000 0.919 177 S HN 0.291 nan 8.310 nan 0.000 0.514 178 L N 3.652 124.996 121.223 0.201 0.000 2.436 178 L HA 0.506 4.846 4.340 -0.000 0.000 0.265 178 L C -1.571 175.410 176.870 0.185 0.000 1.168 178 L CA -1.417 53.514 54.840 0.153 0.000 0.815 178 L CB -0.129 42.023 42.059 0.156 0.000 1.109 178 L HN 0.269 nan 8.230 nan 0.000 0.462 179 P HA 0.111 nan 4.420 nan 0.000 0.274 179 P C -0.342 177.089 177.300 0.217 0.000 1.260 179 P CA -0.128 63.069 63.100 0.162 0.000 0.793 179 P CB 0.841 32.573 31.700 0.054 0.000 1.048 180 H N -2.589 116.504 119.070 0.039 0.000 2.652 180 H HA 0.283 4.839 4.556 -0.000 0.000 0.274 180 H C -0.009 175.312 175.328 -0.012 0.000 1.021 180 H CA 0.403 56.481 56.048 0.049 0.000 1.187 180 H CB 0.344 30.137 29.762 0.052 0.000 1.505 180 H HN 0.301 nan 8.280 nan 0.000 0.530 181 T N -0.616 113.980 114.554 0.070 0.000 2.906 181 T HA 0.696 5.046 4.350 -0.000 0.000 0.295 181 T C -0.069 174.612 174.700 -0.031 0.000 1.061 181 T CA -0.527 61.574 62.100 0.001 0.000 1.000 181 T CB 2.276 71.148 68.868 0.006 0.000 1.103 181 T HN 0.291 nan 8.240 nan 0.000 0.486 182 G N 0.746 109.522 108.800 -0.041 0.000 2.715 182 G HA2 0.489 4.449 3.960 -0.000 0.000 0.297 182 G HA3 0.489 4.449 3.960 -0.000 0.000 0.297 182 G C -0.529 174.349 174.900 -0.036 0.000 1.386 182 G CA -0.970 44.097 45.100 -0.055 0.000 1.157 182 G HN 0.676 nan 8.290 nan 0.000 0.585 183 R N 0.718 121.198 120.500 -0.033 0.000 3.416 183 R HA -0.276 4.064 4.340 -0.000 0.000 0.263 183 R C 1.575 177.869 176.300 -0.010 0.000 1.053 183 R CA 1.400 57.487 56.100 -0.022 0.000 0.705 183 R CB -1.577 28.708 30.300 -0.025 0.000 1.124 183 R HN 2.432 nan 8.270 nan 0.000 0.444 184 G N -0.393 108.401 108.800 -0.010 0.000 2.320 184 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.242 184 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.242 184 G C 0.402 175.296 174.900 -0.011 0.000 1.033 184 G CA 0.328 45.425 45.100 -0.005 0.000 0.620 184 G HN 0.399 nan 8.290 nan 0.000 0.517 185 I N 2.106 122.674 120.570 -0.004 0.000 2.474 185 I HA 0.414 4.584 4.170 -0.000 0.000 0.287 185 I C 0.303 176.382 176.117 -0.063 0.000 1.048 185 I CA 0.074 61.374 61.300 0.001 0.000 1.383 185 I CB 1.341 39.392 38.000 0.085 0.000 1.412 185 I HN 0.018 nan 8.210 nan 0.000 0.531 186 T N 5.676 120.107 114.554 -0.206 0.000 2.807 186 T HA 0.419 4.769 4.350 -0.000 0.000 0.279 186 T C -0.306 174.184 174.700 -0.350 0.000 0.993 186 T CA -0.449 61.464 62.100 -0.312 0.000 0.970 186 T CB 1.720 70.278 68.868 -0.516 0.000 0.950 186 T HN 0.220 nan 8.240 nan 0.000 0.441 187 V N 4.050 123.848 119.914 -0.194 0.000 2.328 187 V HA 0.359 4.479 4.120 -0.000 0.000 0.278 187 V C 0.386 176.429 176.094 -0.085 0.000 1.021 187 V CA -0.691 61.444 62.300 -0.276 0.000 0.838 187 V CB 1.177 32.831 31.823 -0.283 0.000 0.999 187 V HN 0.930 nan 8.190 nan 0.000 0.447 188 T N 4.060 118.612 114.554 -0.004 0.000 2.744 188 T HA 0.180 4.530 4.350 -0.000 0.000 0.291 188 T C -0.143 174.529 174.700 -0.047 0.000 0.957 188 T CA -0.154 61.990 62.100 0.075 0.000 1.002 188 T CB 0.664 69.633 68.868 0.168 0.000 0.919 188 T HN 0.709 nan 8.240 nan 0.000 0.468 189 D N 3.766 124.124 120.400 -0.069 0.000 2.325 189 D HA 0.116 4.756 4.640 -0.000 0.000 0.251 189 D C 1.212 177.466 176.300 -0.077 0.000 1.196 189 D CA -0.260 53.650 54.000 -0.150 0.000 0.866 189 D CB 0.876 41.522 40.800 -0.257 0.000 1.101 189 D HN 0.463 nan 8.370 nan 0.000 0.476 190 L N 3.376 124.550 121.223 -0.082 0.000 2.141 190 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 190 L C 2.452 179.307 176.870 -0.026 0.000 1.094 190 L CA 0.943 55.752 54.840 -0.052 0.000 0.763 190 L CB -0.376 41.632 42.059 -0.086 0.000 0.908 190 L HN 0.432 nan 8.230 nan 0.000 0.437 191 A N -0.268 122.549 122.820 -0.005 0.000 1.930 191 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 191 A C 2.227 179.902 177.584 0.151 0.000 1.175 191 A CA 1.547 53.632 52.037 0.080 0.000 0.627 191 A CB -0.374 18.717 19.000 0.153 0.000 0.815 191 A HN 0.366 nan 8.150 nan 0.000 0.443 192 Q N 0.148 119.985 119.800 0.062 0.000 2.119 192 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 192 Q C 1.819 177.924 176.000 0.175 0.000 0.972 192 Q CA 1.871 57.743 55.803 0.116 0.000 0.847 192 Q CB -0.278 28.480 28.738 0.034 0.000 0.903 192 Q HN 0.623 nan 8.270 nan 0.000 0.433 193 E N -0.422 119.849 120.200 0.118 0.000 2.077 193 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 193 E C 1.661 178.341 176.600 0.133 0.000 0.989 193 E CA 1.006 57.463 56.400 0.095 0.000 0.800 193 E CB -0.685 29.055 29.700 0.068 0.000 0.746 193 E HN 0.587 nan 8.360 nan 0.000 0.452 194 W N 0.699 121.993 121.300 -0.010 0.000 2.363 194 W HA -0.245 4.415 4.660 -0.000 0.000 0.296 194 W C 1.925 178.480 176.519 0.061 0.000 1.212 194 W CA 1.038 58.393 57.345 0.016 0.000 1.260 194 W CB -0.395 29.066 29.460 0.002 0.000 1.131 194 W HN 0.035 nan 8.180 nan 0.000 0.530 195 F N 2.423 122.421 119.950 0.080 0.000 2.113 195 F HA -0.175 4.352 4.527 -0.000 0.000 0.297 195 F C 2.040 177.768 175.800 -0.118 0.000 1.103 195 F CA 2.208 60.190 58.000 -0.031 0.000 1.248 195 F CB -0.955 38.072 39.000 0.045 0.000 0.999 195 F HN -0.281 nan 8.300 nan 0.000 0.475 196 D N 0.548 120.786 120.400 -0.271 0.000 2.182 196 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 196 D C 2.212 178.276 176.300 -0.392 0.000 0.986 196 D CA 1.505 55.295 54.000 -0.350 0.000 0.847 196 D CB -0.397 40.336 40.800 -0.112 0.000 0.942 196 D HN 0.388 nan 8.370 nan 0.000 0.467 197 L N 0.039 121.044 121.223 -0.363 0.000 2.162 197 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 197 L C 2.102 178.638 176.870 -0.558 0.000 1.086 197 L CA 1.702 56.307 54.840 -0.392 0.000 0.778 197 L CB -0.225 41.641 42.059 -0.322 0.000 0.928 197 L HN 0.069 nan 8.230 nan 0.000 0.446 198 T N -5.451 108.640 114.554 -0.771 0.000 2.959 198 T HA 0.326 4.676 4.350 -0.000 0.000 0.254 198 T C 1.447 175.646 174.700 -0.834 0.000 1.003 198 T CA 0.315 61.890 62.100 -0.875 0.000 0.950 198 T CB 0.237 68.401 68.868 -1.174 0.000 1.090 198 T HN 0.479 nan 8.240 nan 0.000 0.503 199 G N 1.323 109.705 108.800 -0.697 0.000 2.166 199 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 199 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 199 G C -0.062 175.037 174.900 0.331 0.000 0.986 199 G CA 0.695 45.508 45.100 -0.479 0.000 0.683 199 G HN 0.831 nan 8.290 nan 0.000 0.527 200 H N -0.312 118.839 119.070 0.135 0.000 2.797 200 H HA 0.493 5.049 4.556 -0.000 0.000 0.362 200 H C -2.485 173.085 175.328 0.403 0.000 1.183 200 H CA -2.567 53.623 56.048 0.238 0.000 1.197 200 H CB 2.109 31.965 29.762 0.158 0.000 1.835 200 H HN 0.118 nan 8.280 nan 0.000 0.567 201 P HA 0.065 nan 4.420 nan 0.000 0.276 201 P C -1.310 176.240 177.300 0.416 0.000 1.252 201 P CA -0.168 63.135 63.100 0.339 0.000 0.802 201 P CB 0.745 32.528 31.700 0.137 0.000 1.035 202 F N 0.089 120.051 119.950 0.019 0.000 2.520 202 F HA 0.457 4.984 4.527 -0.000 0.000 0.322 202 F C -0.546 174.971 175.800 -0.471 0.000 1.103 202 F CA -0.187 57.547 58.000 -0.443 0.000 0.926 202 F CB 1.469 39.910 39.000 -0.930 0.000 1.154 202 F HN 0.054 nan 8.300 nan 0.000 0.453 203 T N 7.070 120.979 114.554 -1.074 0.000 2.758 203 T HA 0.279 4.629 4.350 -0.000 0.000 0.285 203 T C 0.450 174.739 174.700 -0.686 0.000 0.981 203 T CA -0.021 61.736 62.100 -0.571 0.000 0.965 203 T CB 0.612 69.269 68.868 -0.351 0.000 0.927 203 T HN 0.492 nan 8.240 nan 0.000 0.448 204 F N 1.644 121.578 119.950 -0.027 0.000 2.530 204 F HA 0.537 5.064 4.527 0.000 0.000 0.292 204 F C 1.400 177.183 175.800 -0.029 0.000 1.109 204 F CA -0.085 57.941 58.000 0.044 0.000 1.450 204 F CB 0.330 39.369 39.000 0.065 0.000 1.114 204 F HN 0.611 nan 8.300 nan 0.000 0.560 205 A N -0.487 122.408 122.820 0.124 0.000 2.609 205 A HA 0.774 5.094 4.320 -0.000 0.000 0.291 205 A C -1.163 176.428 177.584 0.012 0.000 1.096 205 A CA -0.285 51.762 52.037 0.018 0.000 0.684 205 A CB 1.234 20.189 19.000 -0.075 0.000 1.282 205 A HN 0.122 nan 8.150 nan 0.000 0.412 206 V N -3.986 115.884 119.914 -0.073 0.000 3.181 206 V HA 0.730 4.850 4.120 -0.000 0.000 0.307 206 V C -1.337 174.726 176.094 -0.052 0.000 1.310 206 V CA -1.099 61.235 62.300 0.057 0.000 1.067 206 V CB 1.655 33.420 31.823 -0.097 0.000 1.081 206 V HN 0.961 nan 8.190 nan 0.000 0.453 207 W N 1.083 122.369 121.300 -0.022 0.000 2.314 207 W HA 0.803 5.463 4.660 -0.000 0.000 0.310 207 W C 0.003 176.542 176.519 0.035 0.000 1.075 207 W CA -0.063 57.303 57.345 0.036 0.000 1.253 207 W CB 1.925 31.394 29.460 0.015 0.000 1.238 207 W HN 1.044 nan 8.180 nan 0.000 0.440 208 A N 5.125 128.028 122.820 0.139 0.000 2.355 208 A HA 0.886 5.206 4.320 -0.000 0.000 0.324 208 A C -1.704 175.994 177.584 0.191 0.000 1.117 208 A CA -0.471 51.602 52.037 0.059 0.000 0.785 208 A CB 1.476 20.483 19.000 0.011 0.000 1.254 208 A HN 0.599 nan 8.150 nan 0.000 0.453 209 Y N -1.008 119.372 120.300 0.133 0.000 2.597 209 Y HA 0.713 5.263 4.550 -0.000 0.000 0.340 209 Y C -0.264 175.709 175.900 0.121 0.000 1.097 209 Y CA -1.370 56.803 58.100 0.122 0.000 1.037 209 Y CB 0.999 39.557 38.460 0.163 0.000 1.305 209 Y HN 0.642 nan 8.280 nan 0.000 0.463 210 R N 2.186 122.814 120.500 0.215 0.000 2.449 210 R HA 0.134 4.474 4.340 -0.000 0.000 0.296 210 R C 0.651 177.073 176.300 0.203 0.000 1.047 210 R CA -0.230 55.951 56.100 0.135 0.000 1.018 210 R CB 0.759 31.132 30.300 0.122 0.000 0.962 210 R HN 0.842 nan 8.270 nan 0.000 0.428 211 K N 1.895 122.350 120.400 0.093 0.000 2.189 211 K HA -0.268 4.052 4.320 -0.000 0.000 0.207 211 K C 1.250 177.963 176.600 0.188 0.000 1.046 211 K CA 2.404 58.771 56.287 0.133 0.000 0.928 211 K CB -0.068 32.472 32.500 0.067 0.000 0.720 211 K HN 0.681 nan 8.250 nan 0.000 0.458 212 D N -0.569 119.920 120.400 0.149 0.000 2.234 212 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 212 D C 0.677 177.063 176.300 0.145 0.000 0.962 212 D CA 0.670 54.745 54.000 0.125 0.000 0.855 212 D CB -0.073 40.779 40.800 0.087 0.000 0.951 212 D HN -0.049 nan 8.370 nan 0.000 0.500 213 N N 0.512 119.331 118.700 0.199 0.000 3.012 213 N HA 0.305 5.045 4.740 -0.000 0.000 0.270 213 N C -2.801 172.858 175.510 0.247 0.000 1.469 213 N CA -2.195 50.979 53.050 0.206 0.000 0.928 213 N CB 0.704 39.314 38.487 0.205 0.000 1.219 213 N HN -0.072 nan 8.380 nan 0.000 0.492 214 P HA 0.175 nan 4.420 nan 0.000 0.269 214 P C -2.545 174.596 177.300 -0.264 0.000 1.215 214 P CA -0.764 62.217 63.100 -0.199 0.000 0.780 214 P CB 0.257 31.875 31.700 -0.137 0.000 0.898 215 P HA 0.225 nan 4.420 nan 0.000 0.276 215 P C -2.444 174.584 177.300 -0.452 0.000 1.244 215 P CA -1.623 61.217 63.100 -0.434 0.000 0.801 215 P CB -0.527 31.075 31.700 -0.162 0.000 1.006 216 P HA 0.097 nan 4.420 nan 0.000 0.275 216 P C 0.680 177.864 177.300 -0.194 0.000 1.228 216 P CA -0.188 62.714 63.100 -0.330 0.000 0.786 216 P CB 0.683 32.180 31.700 -0.339 0.000 0.927 217 A N 3.438 126.176 122.820 -0.137 0.000 1.892 217 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 217 A C 2.290 179.833 177.584 -0.069 0.000 1.188 217 A CA 2.597 54.582 52.037 -0.088 0.000 0.631 217 A CB -1.677 17.285 19.000 -0.063 0.000 0.822 217 A HN 0.632 nan 8.150 nan 0.000 0.447 218 A N -0.548 122.232 122.820 -0.067 0.000 1.915 218 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 218 A C 2.166 179.729 177.584 -0.035 0.000 1.198 218 A CA 2.125 54.136 52.037 -0.043 0.000 0.647 218 A CB -0.804 18.172 19.000 -0.039 0.000 0.825 218 A HN 0.857 nan 8.150 nan 0.000 0.456 219 L N -0.312 120.884 121.223 -0.045 0.000 2.042 219 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 219 L C 2.340 179.179 176.870 -0.051 0.000 1.076 219 L CA 1.693 56.524 54.840 -0.016 0.000 0.749 219 L CB -0.489 41.577 42.059 0.013 0.000 0.893 219 L HN 0.449 nan 8.230 nan 0.000 0.432 220 L N -1.123 120.056 121.223 -0.073 0.000 2.017 220 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 220 L C 2.637 179.489 176.870 -0.030 0.000 1.073 220 L CA 1.778 56.571 54.840 -0.079 0.000 0.745 220 L CB -0.584 41.443 42.059 -0.052 0.000 0.894 220 L HN 0.457 nan 8.230 nan 0.000 0.432 221 Q N 0.256 120.045 119.800 -0.018 0.000 2.079 221 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 221 Q C 1.312 177.312 176.000 -0.000 0.000 0.974 221 Q CA 0.957 56.760 55.803 0.000 0.000 0.840 221 Q CB 0.091 28.827 28.738 -0.004 0.000 0.898 221 Q HN 0.489 nan 8.270 nan 0.000 0.430 225 E N 1.304 121.517 120.200 0.021 0.000 2.086 225 E HA 0.071 4.421 4.350 -0.000 0.000 0.190 225 E C 1.872 178.478 176.600 0.010 0.000 0.975 225 E CA 1.025 57.434 56.400 0.015 0.000 0.813 225 E CB 0.117 29.825 29.700 0.013 0.000 0.768 225 E HN 0.327 nan 8.360 nan 0.000 0.457 226 A N 1.680 124.497 122.820 -0.005 0.000 1.902 226 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 226 A C 2.098 179.666 177.584 -0.028 0.000 1.181 226 A CA 1.623 53.650 52.037 -0.016 0.000 0.623 226 A CB -0.469 18.507 19.000 -0.039 0.000 0.818 226 A HN 0.080 nan 8.150 nan 0.000 0.443 227 R N -0.353 120.114 120.500 -0.054 0.000 2.091 227 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 227 R C 2.364 178.645 176.300 -0.031 0.000 1.136 227 R CA 1.583 57.620 56.100 -0.105 0.000 0.959 227 R CB -0.261 29.922 30.300 -0.194 0.000 0.856 227 R HN 0.510 nan 8.270 nan 0.000 0.437 228 R N -0.021 120.482 120.500 0.005 0.000 2.091 228 R HA -0.129 4.210 4.340 -0.000 0.000 0.238 228 R C 2.437 178.791 176.300 0.090 0.000 1.136 228 R CA 1.600 57.727 56.100 0.045 0.000 0.959 228 R CB -0.339 29.987 30.300 0.043 0.000 0.856 228 R HN 0.327 nan 8.270 nan 0.000 0.437 229 R N -0.122 120.436 120.500 0.097 0.000 2.066 229 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 229 R C 2.492 178.936 176.300 0.239 0.000 1.131 229 R CA 1.352 57.560 56.100 0.180 0.000 0.955 229 R CB -0.597 29.746 30.300 0.071 0.000 0.851 229 R HN 0.325 nan 8.270 nan 0.000 0.432 230 G N 1.399 110.268 108.800 0.114 0.000 2.459 230 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 230 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 230 G C 1.446 176.434 174.900 0.145 0.000 1.183 230 G CA 0.754 45.919 45.100 0.108 0.000 0.776 230 G HN 0.179 nan 8.290 nan 0.000 0.552 231 I N 1.372 122.011 120.570 0.115 0.000 2.454 231 I HA -0.082 4.088 4.170 -0.000 0.000 0.254 231 I C 2.912 179.096 176.117 0.112 0.000 1.156 231 I CA 0.846 62.235 61.300 0.148 0.000 1.433 231 I CB -0.219 37.865 38.000 0.140 0.000 1.082 231 I HN 0.275 nan 8.210 nan 0.000 0.432 232 G N -0.658 108.185 108.800 0.072 0.000 2.511 232 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 232 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 232 G C 0.281 174.905 174.900 -0.460 0.000 1.133 232 G CA 0.346 45.356 45.100 -0.151 0.000 0.792 232 G HN 0.491 nan 8.290 nan 0.000 0.539 233 H N -0.769 118.344 119.070 0.072 0.000 2.511 233 H HA 0.350 4.906 4.556 -0.000 0.000 0.228 233 H C 1.183 176.562 175.328 0.085 0.000 1.424 233 H CA -0.602 55.485 56.048 0.065 0.000 1.321 233 H CB 0.366 30.158 29.762 0.050 0.000 1.720 233 H HN 0.039 nan 8.280 nan 0.000 0.512 234 L N -0.028 121.293 121.223 0.162 0.000 2.131 234 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 234 L C 2.411 179.373 176.870 0.153 0.000 1.092 234 L CA 1.339 56.286 54.840 0.179 0.000 0.759 234 L CB -0.187 41.993 42.059 0.202 0.000 0.903 234 L HN 0.606 nan 8.230 nan 0.000 0.435 235 A N -0.156 122.734 122.820 0.116 0.000 1.933 235 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 235 A C 2.158 179.805 177.584 0.104 0.000 1.175 235 A CA 1.602 53.694 52.037 0.092 0.000 0.628 235 A CB -0.300 18.736 19.000 0.060 0.000 0.814 235 A HN 0.438 nan 8.150 nan 0.000 0.444 236 E N -0.536 119.740 120.200 0.125 0.000 2.046 236 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 236 E C 2.005 178.673 176.600 0.114 0.000 0.982 236 E CA 1.104 57.566 56.400 0.103 0.000 0.800 236 E CB -0.182 29.576 29.700 0.097 0.000 0.756 236 E HN 0.366 nan 8.360 nan 0.000 0.449 237 V N 1.012 121.020 119.914 0.156 0.000 2.295 237 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 237 V C 2.235 178.483 176.094 0.257 0.000 1.049 237 V CA 1.936 64.360 62.300 0.208 0.000 1.024 237 V CB -0.485 31.465 31.823 0.211 0.000 0.648 237 V HN 0.205 nan 8.190 nan 0.000 0.447 238 S N -0.474 115.352 115.700 0.209 0.000 2.359 238 S HA -0.315 4.155 4.470 -0.000 0.000 0.224 238 S C 1.990 176.683 174.600 0.154 0.000 1.035 238 S CA 1.906 60.227 58.200 0.202 0.000 1.018 238 S CB -0.422 62.877 63.200 0.165 0.000 0.876 238 S HN 0.629 nan 8.310 nan 0.000 0.448 239 Q N 1.868 121.729 119.800 0.103 0.000 2.014 239 Q HA -0.147 4.193 4.340 -0.000 0.000 0.207 239 Q C 2.079 178.098 176.000 0.032 0.000 0.993 239 Q CA 1.809 57.647 55.803 0.058 0.000 0.850 239 Q CB -0.402 28.360 28.738 0.040 0.000 0.916 239 Q HN 0.451 nan 8.270 nan 0.000 0.417 240 R N -0.881 119.620 120.500 0.002 0.000 2.115 240 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 240 R C 2.496 178.700 176.300 -0.161 0.000 1.133 240 R CA 1.817 57.849 56.100 -0.113 0.000 0.935 240 R CB -0.769 29.401 30.300 -0.215 0.000 0.853 240 R HN 0.547 nan 8.270 nan 0.000 0.433 241 H N -0.342 118.759 119.070 0.052 0.000 2.389 241 H HA 0.027 4.583 4.556 -0.000 0.000 0.299 241 H C 2.098 177.449 175.328 0.039 0.000 1.081 241 H CA 1.303 57.385 56.048 0.056 0.000 1.345 241 H CB -0.184 29.633 29.762 0.091 0.000 1.393 241 H HN 0.334 nan 8.280 nan 0.000 0.520 242 A N 1.204 124.105 122.820 0.135 0.000 1.972 242 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 242 A C 2.372 179.974 177.584 0.030 0.000 1.169 242 A CA 1.487 53.562 52.037 0.063 0.000 0.635 242 A CB -0.229 18.797 19.000 0.044 0.000 0.810 242 A HN 0.313 nan 8.150 nan 0.000 0.446 243 E N 0.650 120.862 120.200 0.020 0.000 2.047 243 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 243 E C 1.714 178.317 176.600 0.005 0.000 0.987 243 E CA 1.598 58.000 56.400 0.004 0.000 0.799 243 E CB -0.156 29.537 29.700 -0.011 0.000 0.752 243 E HN 0.828 nan 8.360 nan 0.000 0.449 244 K N 0.027 120.430 120.400 0.005 0.000 2.458 244 K HA 0.080 4.400 4.320 -0.000 0.000 0.194 244 K C 1.663 178.287 176.600 0.040 0.000 1.024 244 K CA 0.237 56.532 56.287 0.013 0.000 1.108 244 K CB 0.178 32.677 32.500 -0.002 0.000 0.846 244 K HN 0.119 nan 8.250 nan 0.000 0.518 245 L N -0.006 121.244 121.223 0.044 0.000 2.701 245 L HA 0.265 4.605 4.340 -0.000 0.000 0.238 245 L C 0.645 177.530 176.870 0.026 0.000 1.106 245 L CA 0.227 55.093 54.840 0.044 0.000 0.898 245 L CB 0.530 42.618 42.059 0.047 0.000 1.188 245 L HN 0.528 nan 8.230 nan 0.000 0.508 246 G N 1.839 110.649 108.800 0.017 0.000 2.298 246 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.287 246 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.287 246 G C -0.374 174.524 174.900 -0.003 0.000 1.075 246 G CA 0.153 45.262 45.100 0.015 0.000 0.960 246 G HN 0.215 nan 8.290 nan 0.000 0.502 247 L N -1.082 120.115 121.223 -0.043 0.000 2.393 247 L HA 0.551 4.891 4.340 -0.000 0.000 0.260 247 L C -2.244 174.550 176.870 -0.127 0.000 1.002 247 L CA -2.627 52.123 54.840 -0.150 0.000 0.818 247 L CB 2.405 44.344 42.059 -0.200 0.000 1.369 247 L HN -0.112 nan 8.230 nan 0.000 0.412 248 P HA 0.007 nan 4.420 nan 0.000 0.269 248 P C 0.270 177.537 177.300 -0.055 0.000 1.209 248 P CA -0.140 62.907 63.100 -0.088 0.000 0.776 248 P CB 0.734 32.385 31.700 -0.083 0.000 0.876 249 E N 3.600 123.796 120.200 -0.007 0.000 2.085 249 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 249 E C 1.698 178.319 176.600 0.036 0.000 0.994 249 E CA 1.503 57.917 56.400 0.024 0.000 0.801 249 E CB 0.017 29.734 29.700 0.029 0.000 0.743 249 E HN 0.428 nan 8.360 nan 0.000 0.453 250 R N -0.092 120.424 120.500 0.026 0.000 2.120 250 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 250 R C 2.387 178.731 176.300 0.074 0.000 1.123 250 R CA 1.444 57.571 56.100 0.044 0.000 0.975 250 R CB -0.812 29.510 30.300 0.037 0.000 0.866 250 R HN -0.023 nan 8.270 nan 0.000 0.446 251 V N 1.415 121.341 119.914 0.021 0.000 2.261 251 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 251 V C 2.476 178.601 176.094 0.052 0.000 1.047 251 V CA 1.739 64.040 62.300 0.003 0.000 1.015 251 V CB -0.210 31.509 31.823 -0.174 0.000 0.642 251 V HN 0.205 nan 8.190 nan 0.000 0.446 252 V N -0.453 119.495 119.914 0.058 0.000 2.427 252 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 252 V C 2.370 178.621 176.094 0.262 0.000 1.051 252 V CA 2.239 64.638 62.300 0.165 0.000 1.048 252 V CB -0.604 31.305 31.823 0.144 0.000 0.666 252 V HN 0.620 nan 8.190 nan 0.000 0.456 253 Q N -0.386 119.530 119.800 0.194 0.000 2.050 253 Q HA -0.279 4.061 4.340 -0.000 0.000 0.202 253 Q C 2.292 178.459 176.000 0.278 0.000 0.980 253 Q CA 2.282 58.207 55.803 0.204 0.000 0.840 253 Q CB -0.252 28.555 28.738 0.114 0.000 0.898 253 Q HN 0.834 nan 8.270 nan 0.000 0.424 254 H N -1.303 117.837 119.070 0.117 0.000 2.321 254 H HA -0.216 4.340 4.556 -0.000 0.000 0.300 254 H C 2.031 177.436 175.328 0.129 0.000 1.087 254 H CA 1.418 57.535 56.048 0.116 0.000 1.319 254 H CB -0.114 29.662 29.762 0.023 0.000 1.379 254 H HN 0.402 nan 8.280 nan 0.000 0.501 255 Y N 1.198 121.522 120.300 0.040 0.000 2.151 255 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 255 Y C 2.119 178.088 175.900 0.114 0.000 1.166 255 Y CA 1.863 59.914 58.100 -0.083 0.000 1.163 255 Y CB -0.448 37.980 38.460 -0.052 0.000 0.974 255 Y HN 0.193 nan 8.280 nan 0.000 0.511 256 L N -1.199 120.171 121.223 0.245 0.000 2.095 256 L HA -0.190 4.150 4.340 -0.000 0.000 0.204 256 L C 2.549 179.592 176.870 0.288 0.000 1.080 256 L CA 1.074 56.105 54.840 0.318 0.000 0.759 256 L CB -0.897 41.382 42.059 0.367 0.000 0.914 256 L HN 0.516 nan 8.230 nan 0.000 0.439 257 W N 1.740 123.109 121.300 0.115 0.000 2.350 257 W HA -0.254 4.406 4.660 0.000 0.000 0.289 257 W C 2.023 178.540 176.519 -0.004 0.000 1.215 257 W CA 1.538 58.929 57.345 0.077 0.000 1.236 257 W CB -0.262 29.239 29.460 0.069 0.000 1.130 257 W HN 0.304 nan 8.180 nan 0.000 0.541 258 N N 0.274 118.913 118.700 -0.102 0.000 2.459 258 N HA -0.138 4.602 4.740 -0.000 0.000 0.181 258 N C -0.225 174.949 175.510 -0.560 0.000 1.046 258 N CA 0.569 53.416 53.050 -0.338 0.000 0.904 258 N CB -0.431 37.895 38.487 -0.268 0.000 0.964 258 N HN -0.122 nan 8.380 nan 0.000 0.444 259 F N 1.316 121.001 119.950 -0.441 0.000 2.418 259 F HA 0.295 4.822 4.527 -0.000 0.000 0.341 259 F C 0.887 176.231 175.800 -0.760 0.000 1.120 259 F CA -0.244 57.379 58.000 -0.629 0.000 1.232 259 F CB 0.751 39.221 39.000 -0.884 0.000 1.175 259 F HN -0.297 nan 8.300 nan 0.000 0.569 260 R N 2.828 123.111 120.500 -0.361 0.000 2.265 260 R HA 0.246 4.586 4.340 -0.000 0.000 0.328 260 R C -0.885 175.270 176.300 -0.242 0.000 0.969 260 R CA -0.439 55.494 56.100 -0.278 0.000 0.832 260 R CB 0.715 30.930 30.300 -0.142 0.000 1.139 260 R HN 0.639 nan 8.270 nan 0.000 0.457 261 Y N 0.031 120.335 120.300 0.007 0.000 2.467 261 Y HA 0.144 4.694 4.550 -0.000 0.000 0.250 261 Y C 0.830 176.471 175.900 -0.431 0.000 1.155 261 Y CA -0.023 57.974 58.100 -0.171 0.000 1.249 261 Y CB 0.417 38.702 38.460 -0.292 0.000 1.146 261 Y HN 0.611 nan 8.280 nan 0.000 0.524 262 H N -0.776 118.219 119.070 -0.125 0.000 2.542 262 H HA 0.236 4.792 4.556 -0.000 0.000 0.283 262 H C 0.448 175.667 175.328 -0.181 0.000 1.059 262 H CA -0.471 55.442 56.048 -0.226 0.000 1.162 262 H CB 0.183 29.821 29.762 -0.207 0.000 1.539 262 H HN 0.024 nan 8.280 nan 0.000 0.543 263 L N 1.846 123.039 121.223 -0.050 0.000 3.895 263 L HA -0.281 4.059 4.340 -0.000 0.000 0.511 263 L C -0.229 176.569 176.870 -0.120 0.000 1.222 263 L CA 0.434 55.217 54.840 -0.094 0.000 0.739 263 L CB -0.878 41.094 42.059 -0.145 0.000 1.425 263 L HN 0.377 nan 8.230 nan 0.000 0.817 264 E N 0.425 120.578 120.200 -0.077 0.000 2.385 264 E HA 0.513 4.863 4.350 -0.000 0.000 0.254 264 E C 1.416 177.966 176.600 -0.084 0.000 1.228 264 E CA -0.039 56.312 56.400 -0.081 0.000 0.956 264 E CB 0.405 30.062 29.700 -0.072 0.000 1.116 264 E HN 0.465 nan 8.360 nan 0.000 0.507 265 A N 1.258 124.036 122.820 -0.070 0.000 1.903 265 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 265 A C -0.529 177.023 177.584 -0.053 0.000 1.191 265 A CA 1.828 53.833 52.037 -0.054 0.000 0.638 265 A CB -1.726 17.248 19.000 -0.044 0.000 0.823 265 A HN 0.449 nan 8.150 nan 0.000 0.451 266 P HA -0.112 nan 4.420 nan 0.000 0.218 266 P C 0.555 177.835 177.300 -0.032 0.000 1.148 266 P CA 1.407 64.467 63.100 -0.066 0.000 0.822 266 P CB -0.065 31.600 31.700 -0.059 0.000 0.784 267 D N -1.055 119.323 120.400 -0.038 0.000 2.137 267 D HA -0.046 4.594 4.640 -0.000 0.000 0.202 267 D C 2.001 178.283 176.300 -0.031 0.000 0.970 267 D CA 0.805 54.782 54.000 -0.038 0.000 0.837 267 D CB -0.322 40.445 40.800 -0.054 0.000 0.981 267 D HN 0.158 nan 8.370 nan 0.000 0.475 268 R N 0.587 121.067 120.500 -0.033 0.000 2.096 268 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 268 R C 2.370 178.715 176.300 0.075 0.000 1.127 268 R CA 0.382 56.495 56.100 0.022 0.000 0.968 268 R CB -0.764 29.530 30.300 -0.009 0.000 0.861 268 R HN 0.202 nan 8.270 nan 0.000 0.440 269 L N 0.741 121.990 121.223 0.044 0.000 2.017 269 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 269 L C 2.217 179.183 176.870 0.160 0.000 1.073 269 L CA 2.221 57.104 54.840 0.072 0.000 0.745 269 L CB -1.118 40.922 42.059 -0.032 0.000 0.894 269 L HN 0.175 nan 8.230 nan 0.000 0.432 270 G N -0.384 108.515 108.800 0.165 0.000 2.418 270 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 270 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 270 G C 1.589 176.548 174.900 0.097 0.000 1.158 270 G CA 0.947 46.221 45.100 0.291 0.000 0.771 270 G HN 0.420 nan 8.290 nan 0.000 0.545 271 L N 0.451 121.643 121.223 -0.051 0.000 2.042 271 L HA 0.024 4.364 4.340 -0.000 0.000 0.210 271 L C 2.726 179.630 176.870 0.057 0.000 1.076 271 L CA 1.956 56.743 54.840 -0.088 0.000 0.749 271 L CB -0.523 41.547 42.059 0.019 0.000 0.893 271 L HN 0.159 nan 8.230 nan 0.000 0.432 272 R N -0.759 119.812 120.500 0.117 0.000 2.090 272 R HA -0.110 4.230 4.340 -0.000 0.000 0.228 272 R C 2.190 178.574 176.300 0.140 0.000 1.110 272 R CA 1.447 57.618 56.100 0.118 0.000 0.973 272 R CB -0.104 30.287 30.300 0.152 0.000 0.869 272 R HN 0.536 nan 8.270 nan 0.000 0.440 273 E N -0.435 119.914 120.200 0.249 0.000 2.077 273 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 273 E C 1.668 178.507 176.600 0.397 0.000 0.989 273 E CA 1.274 57.876 56.400 0.336 0.000 0.800 273 E CB -0.164 29.826 29.700 0.484 0.000 0.746 273 E HN 0.252 nan 8.360 nan 0.000 0.452 274 F N 1.561 121.656 119.950 0.242 0.000 2.146 274 F HA -0.083 4.444 4.527 0.000 0.000 0.298 274 F C 2.182 177.964 175.800 -0.029 0.000 1.096 274 F CA 1.284 59.321 58.000 0.061 0.000 1.275 274 F CB -0.396 38.370 39.000 -0.391 0.000 1.008 274 F HN -0.080 nan 8.300 nan 0.000 0.480 275 A N 0.075 122.696 122.820 -0.331 0.000 1.940 275 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 275 A C 1.890 179.180 177.584 -0.489 0.000 1.176 275 A CA 2.066 53.738 52.037 -0.608 0.000 0.631 275 A CB -0.983 17.605 19.000 -0.688 0.000 0.814 275 A HN 0.459 nan 8.150 nan 0.000 0.446 276 D N -0.430 119.865 120.400 -0.175 0.000 2.224 276 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 276 D C 1.757 178.035 176.300 -0.036 0.000 0.965 276 D CA 0.686 54.689 54.000 0.006 0.000 0.852 276 D CB -0.100 40.753 40.800 0.087 0.000 0.947 276 D HN 0.460 nan 8.370 nan 0.000 0.494 277 L N -0.258 120.917 121.223 -0.080 0.000 2.375 277 L HA 0.164 4.504 4.340 -0.000 0.000 0.215 277 L C 1.952 178.747 176.870 -0.125 0.000 1.108 277 L CA 0.497 55.313 54.840 -0.039 0.000 0.830 277 L CB 0.126 42.245 42.059 0.099 0.000 0.959 277 L HN -0.051 nan 8.230 nan 0.000 0.457 278 A N -1.115 121.500 122.820 -0.343 0.000 2.259 278 A HA 0.282 4.602 4.320 -0.000 0.000 0.213 278 A C 0.858 178.290 177.584 -0.254 0.000 1.209 278 A CA 0.221 52.054 52.037 -0.341 0.000 0.910 278 A CB 0.689 19.290 19.000 -0.664 0.000 0.946 278 A HN 0.106 nan 8.150 nan 0.000 0.497 279 V N 1.083 120.845 119.914 -0.252 0.000 2.637 279 V HA 0.204 4.324 4.120 -0.000 0.000 0.296 279 V C -2.939 173.155 176.094 -0.001 0.000 1.118 279 V CA -1.450 60.769 62.300 -0.134 0.000 1.230 279 V CB 0.414 32.130 31.823 -0.179 0.000 1.360 279 V HN 0.113 nan 8.190 nan 0.000 0.620 280 P HA 0.125 nan 4.420 nan 0.000 0.261 280 P C 1.124 178.432 177.300 0.012 0.000 1.165 280 P CA 1.973 65.091 63.100 0.029 0.000 0.759 280 P CB 0.378 32.074 31.700 -0.007 0.000 0.772 281 G N 1.791 110.575 108.800 -0.027 0.000 2.198 281 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.257 281 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.257 281 G C 0.215 175.027 174.900 -0.146 0.000 1.042 281 G CA -0.154 44.876 45.100 -0.117 0.000 0.791 281 G HN 0.907 nan 8.290 nan 0.000 0.502 282 H N -0.530 118.472 119.070 -0.113 0.000 2.629 282 H HA 0.742 5.298 4.556 0.000 0.000 0.357 282 H C 0.825 176.069 175.328 -0.140 0.000 1.121 282 H CA -0.281 55.681 56.048 -0.144 0.000 1.406 282 H CB 0.821 30.480 29.762 -0.172 0.000 1.456 282 H HN 0.699 nan 8.280 nan 0.000 0.579 283 A N 2.110 124.839 122.820 -0.151 0.000 2.433 283 A HA -0.031 4.289 4.320 -0.000 0.000 0.250 283 A C 0.633 178.104 177.584 -0.189 0.000 1.113 283 A CA -0.022 51.909 52.037 -0.177 0.000 0.794 283 A CB -0.218 18.705 19.000 -0.130 0.000 1.067 283 A HN 0.920 nan 8.150 nan 0.000 0.510 284 E N -0.250 119.851 120.200 -0.165 0.000 2.384 284 E HA 0.269 4.619 4.350 -0.000 0.000 0.266 284 E C -0.933 175.585 176.600 -0.136 0.000 1.012 284 E CA -0.225 56.097 56.400 -0.130 0.000 0.901 284 E CB 0.217 29.854 29.700 -0.104 0.000 0.967 284 E HN 0.475 nan 8.360 nan 0.000 0.435 285 L N 5.233 126.387 121.223 -0.114 0.000 2.325 285 L HA 0.208 4.548 4.340 -0.000 0.000 0.284 285 L C 0.489 177.101 176.870 -0.431 0.000 1.089 285 L CA -0.429 54.260 54.840 -0.253 0.000 0.836 285 L CB 0.293 42.286 42.059 -0.111 0.000 1.184 285 L HN 0.610 nan 8.230 nan 0.000 0.444 286 T N -0.772 113.518 114.554 -0.440 0.000 2.940 286 T HA 0.774 5.124 4.350 -0.000 0.000 0.288 286 T C -0.439 173.884 174.700 -0.629 0.000 1.033 286 T CA -0.569 61.264 62.100 -0.446 0.000 1.033 286 T CB 1.918 70.704 68.868 -0.137 0.000 1.079 286 T HN 0.148 nan 8.240 nan 0.000 0.496 287 F N 0.000 120.045 119.950 0.159 0.000 2.286 287 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 287 F CA 0.000 58.089 58.000 0.148 0.000 1.383 287 F CB 0.000 39.076 39.000 0.127 0.000 1.145 287 F HN 0.000 nan 8.300 nan 0.000 0.574