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 1xxh_1_D DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.117 176.094 0.038 0.000 1.182 5 V CA 0.000 62.314 62.300 0.024 0.000 1.235 5 V CB 0.000 31.838 31.823 0.025 0.000 1.184 6 L N 2.806 124.084 121.223 0.091 0.000 2.043 6 L HA -0.163 4.176 4.340 -0.000 0.000 0.212 6 L C 2.978 179.999 176.870 0.252 0.000 1.075 6 L CA 2.646 57.609 54.840 0.205 0.000 0.752 6 L CB -0.738 41.502 42.059 0.302 0.000 0.891 6 L HN 1.027 nan 8.230 nan 0.000 0.432 7 A N 0.539 123.457 122.820 0.164 0.000 1.884 7 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 7 A C 2.367 180.013 177.584 0.105 0.000 1.197 7 A CA 2.462 54.578 52.037 0.133 0.000 0.637 7 A CB -0.599 18.447 19.000 0.076 0.000 0.827 7 A HN 0.373 nan 8.150 nan 0.000 0.450 8 R N 0.168 120.700 120.500 0.054 0.000 2.075 8 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 8 R C 2.123 178.411 176.300 -0.019 0.000 1.126 8 R CA 2.196 58.306 56.100 0.017 0.000 0.963 8 R CB -0.557 29.742 30.300 -0.002 0.000 0.858 8 R HN 0.563 nan 8.270 nan 0.000 0.435 9 K N -0.924 119.433 120.400 -0.073 0.000 2.063 9 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 9 K C 0.617 177.033 176.600 -0.307 0.000 1.048 9 K CA 1.674 57.808 56.287 -0.255 0.000 0.928 9 K CB -0.178 32.063 32.500 -0.432 0.000 0.713 9 K HN 0.304 nan 8.250 nan 0.000 0.442 10 W N 1.849 123.148 121.300 -0.003 0.000 3.305 10 W HA 0.233 4.893 4.660 -0.000 0.000 0.392 10 W C -0.022 176.496 176.519 -0.002 0.000 1.121 10 W CA -0.945 56.401 57.345 0.001 0.000 1.909 10 W CB 0.213 29.677 29.460 0.006 0.000 1.065 10 W HN -0.040 nan 8.180 nan 0.000 0.714 11 R N 2.215 122.807 120.500 0.152 0.000 2.537 11 R HA 0.018 4.358 4.340 -0.000 0.000 0.281 11 R C -2.141 174.212 176.300 0.088 0.000 0.988 11 R CA -0.996 55.158 56.100 0.089 0.000 1.077 11 R CB 0.168 30.491 30.300 0.038 0.000 0.932 11 R HN -0.199 nan 8.270 nan 0.000 0.409 12 P HA -0.048 nan 4.420 nan 0.000 0.265 12 P C -0.588 176.745 177.300 0.054 0.000 1.187 12 P CA 0.274 63.412 63.100 0.064 0.000 0.766 12 P CB 0.995 32.709 31.700 0.023 0.000 0.820 13 Q N 0.524 120.360 119.800 0.059 0.000 2.442 13 Q HA 0.083 4.423 4.340 -0.000 0.000 0.228 13 Q C 0.620 176.640 176.000 0.033 0.000 0.902 13 Q CA 0.906 56.728 55.803 0.031 0.000 0.933 13 Q CB 0.268 29.015 28.738 0.015 0.000 1.071 13 Q HN 0.604 nan 8.270 nan 0.000 0.562 14 T N -3.679 110.910 114.554 0.057 0.000 2.924 14 T HA 0.388 4.737 4.350 -0.000 0.000 0.291 14 T C 0.654 175.468 174.700 0.189 0.000 1.045 14 T CA -0.734 61.396 62.100 0.050 0.000 1.015 14 T CB 0.319 69.190 68.868 0.005 0.000 1.103 14 T HN 0.112 nan 8.240 nan 0.000 0.496 15 F N 0.975 120.884 119.950 -0.069 0.000 2.095 15 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 15 F C 3.075 178.831 175.800 -0.073 0.000 1.104 15 F CA 0.738 58.686 58.000 -0.087 0.000 1.232 15 F CB -0.553 38.388 39.000 -0.098 0.000 0.987 15 F HN 0.780 nan 8.300 nan 0.000 0.475 16 A N -0.254 122.653 122.820 0.146 0.000 2.214 16 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 16 A C 1.311 178.910 177.584 0.026 0.000 1.167 16 A CA 2.126 54.197 52.037 0.056 0.000 0.670 16 A CB -0.645 18.373 19.000 0.031 0.000 0.797 16 A HN 0.373 nan 8.150 nan 0.000 0.477 17 D N -1.155 119.272 120.400 0.046 0.000 2.369 17 D HA 0.187 4.827 4.640 -0.000 0.000 0.211 17 D C 0.099 176.399 176.300 0.000 0.000 1.077 17 D CA 0.041 54.061 54.000 0.034 0.000 0.842 17 D CB 0.259 41.107 40.800 0.080 0.000 0.947 17 D HN 0.180 nan 8.370 nan 0.000 0.509 18 V N 1.729 121.626 119.914 -0.029 0.000 2.614 18 V HA 0.093 4.212 4.120 -0.000 0.000 0.291 18 V C 0.528 176.562 176.094 -0.101 0.000 1.049 18 V CA -0.420 61.827 62.300 -0.088 0.000 1.038 18 V CB 1.918 33.638 31.823 -0.172 0.000 0.980 18 V HN -0.172 nan 8.190 nan 0.000 0.481 19 V N 3.935 123.786 119.914 -0.105 0.000 2.439 19 V HA 0.576 4.696 4.120 -0.000 0.000 0.282 19 V C 1.104 177.134 176.094 -0.107 0.000 1.039 19 V CA 0.308 62.542 62.300 -0.109 0.000 0.913 19 V CB 0.819 32.581 31.823 -0.102 0.000 0.983 19 V HN 1.206 nan 8.190 nan 0.000 0.460 20 G N 4.127 112.869 108.800 -0.097 0.000 2.390 20 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.299 20 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.299 20 G C 0.394 175.263 174.900 -0.053 0.000 1.002 20 G CA 0.339 45.398 45.100 -0.068 0.000 0.979 20 G HN 0.685 nan 8.290 nan 0.000 0.513 21 Q N -1.158 118.581 119.800 -0.102 0.000 2.115 21 Q HA 0.170 4.510 4.340 -0.000 0.000 0.249 21 Q C 1.650 177.520 176.000 -0.217 0.000 0.830 21 Q CA 0.135 55.844 55.803 -0.156 0.000 1.104 21 Q CB 0.332 28.913 28.738 -0.262 0.000 1.207 21 Q HN 0.787 nan 8.270 nan 0.000 0.464 22 E N 0.986 121.141 120.200 -0.074 0.000 2.132 22 E HA -0.281 4.069 4.350 -0.000 0.000 0.218 22 E C 1.531 178.104 176.600 -0.045 0.000 1.058 22 E CA 2.123 58.493 56.400 -0.050 0.000 0.882 22 E CB -0.309 29.405 29.700 0.023 0.000 0.774 22 E HN 0.583 nan 8.360 nan 0.000 0.467 23 H N -0.227 118.834 119.070 -0.014 0.000 2.539 23 H HA -0.069 4.487 4.556 -0.000 0.000 0.292 23 H C 1.730 177.085 175.328 0.045 0.000 1.069 23 H CA 1.173 57.240 56.048 0.032 0.000 1.244 23 H CB -0.565 29.234 29.762 0.062 0.000 1.365 23 H HN 0.081 nan 8.280 nan 0.000 0.575 24 V N 1.498 121.119 119.914 -0.487 0.000 2.804 24 V HA -0.108 4.012 4.120 -0.000 0.000 0.218 24 V C 2.961 178.811 176.094 -0.407 0.000 1.159 24 V CA 0.576 62.595 62.300 -0.468 0.000 1.223 24 V CB -0.795 30.671 31.823 -0.595 0.000 0.917 24 V HN 0.232 nan 8.190 nan 0.000 0.510 25 L N 0.501 121.445 121.223 -0.465 0.000 2.186 25 L HA -0.340 4.000 4.340 -0.000 0.000 0.221 25 L C 2.465 179.230 176.870 -0.175 0.000 1.087 25 L CA 2.164 56.739 54.840 -0.442 0.000 0.794 25 L CB -1.783 40.031 42.059 -0.408 0.000 0.893 25 L HN 0.478 nan 8.230 nan 0.000 0.442 26 T N -0.005 114.484 114.554 -0.108 0.000 2.580 26 T HA -0.245 4.105 4.350 -0.000 0.000 0.265 26 T C 1.948 176.655 174.700 0.011 0.000 1.063 26 T CA 1.696 63.790 62.100 -0.010 0.000 1.170 26 T CB -0.401 68.484 68.868 0.028 0.000 0.863 26 T HN 0.535 nan 8.240 nan 0.000 0.418 27 A N 1.599 124.431 122.820 0.019 0.000 1.952 27 A HA -0.070 4.249 4.320 -0.000 0.000 0.206 27 A C 2.171 179.759 177.584 0.007 0.000 1.213 27 A CA 1.792 53.886 52.037 0.094 0.000 0.690 27 A CB -1.348 17.837 19.000 0.308 0.000 0.854 27 A HN 0.491 nan 8.150 nan 0.000 0.485 28 L N -1.288 119.827 121.223 -0.181 0.000 2.239 28 L HA -0.444 3.896 4.340 -0.000 0.000 0.242 28 L C 2.953 179.844 176.870 0.035 0.000 1.130 28 L CA 2.297 57.033 54.840 -0.173 0.000 0.852 28 L CB -1.318 40.531 42.059 -0.350 0.000 0.959 28 L HN 0.638 nan 8.230 nan 0.000 0.447 29 A N -0.132 122.761 122.820 0.121 0.000 1.859 29 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 29 A C 1.954 179.588 177.584 0.082 0.000 1.209 29 A CA 2.626 54.764 52.037 0.168 0.000 0.639 29 A CB -1.006 18.108 19.000 0.190 0.000 0.835 29 A HN 0.608 nan 8.150 nan 0.000 0.450 30 N N -0.313 118.431 118.700 0.073 0.000 2.258 30 N HA -0.076 4.664 4.740 -0.000 0.000 0.187 30 N C 1.587 177.147 175.510 0.083 0.000 1.012 30 N CA 1.762 54.854 53.050 0.071 0.000 0.870 30 N CB -0.434 38.097 38.487 0.075 0.000 0.977 30 N HN 0.413 nan 8.380 nan 0.000 0.434 31 G N 0.337 109.196 108.800 0.099 0.000 2.434 31 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 31 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 31 G C 1.454 176.414 174.900 0.100 0.000 1.202 31 G CA 0.740 45.916 45.100 0.127 0.000 0.788 31 G HN 0.273 nan 8.290 nan 0.000 0.539 32 L N 1.417 122.683 121.223 0.072 0.000 1.932 32 L HA -0.155 4.185 4.340 -0.000 0.000 0.217 32 L C 3.211 180.107 176.870 0.043 0.000 1.077 32 L CA 1.874 56.742 54.840 0.046 0.000 0.765 32 L CB -1.005 41.058 42.059 0.008 0.000 0.888 32 L HN 0.407 nan 8.230 nan 0.000 0.433 33 S N -0.546 115.171 115.700 0.027 0.000 2.523 33 S HA -0.204 4.266 4.470 -0.000 0.000 0.264 33 S C 1.277 175.899 174.600 0.038 0.000 0.978 33 S CA 1.203 59.417 58.200 0.023 0.000 0.963 33 S CB -0.626 62.584 63.200 0.016 0.000 0.737 33 S HN 0.452 nan 8.310 nan 0.000 0.528 34 L N -0.010 121.245 121.223 0.053 0.000 3.358 34 L HA 0.368 4.708 4.340 -0.000 0.000 0.301 34 L C 1.413 178.325 176.870 0.071 0.000 1.276 34 L CA 0.103 54.978 54.840 0.058 0.000 1.028 34 L CB 0.101 42.196 42.059 0.061 0.000 1.421 34 L HN 0.460 nan 8.230 nan 0.000 0.604 35 G N 1.029 109.875 108.800 0.076 0.000 2.219 35 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.271 35 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.271 35 G C 0.514 175.479 174.900 0.109 0.000 0.991 35 G CA 0.412 45.569 45.100 0.096 0.000 0.685 35 G HN 0.453 nan 8.290 nan 0.000 0.531 36 R N 0.206 120.772 120.500 0.110 0.000 2.248 36 R HA 0.448 4.788 4.340 -0.000 0.000 0.337 36 R C 0.203 176.607 176.300 0.173 0.000 1.106 36 R CA -0.236 55.941 56.100 0.130 0.000 0.959 36 R CB 0.403 30.776 30.300 0.123 0.000 1.075 36 R HN 0.206 nan 8.270 nan 0.000 0.480 37 I N 1.058 121.736 120.570 0.181 0.000 2.957 37 I HA 0.349 4.519 4.170 -0.000 0.000 0.310 37 I C 0.232 176.481 176.117 0.219 0.000 1.063 37 I CA -0.970 60.474 61.300 0.240 0.000 1.033 37 I CB 1.588 39.673 38.000 0.141 0.000 1.230 37 I HN 0.542 nan 8.210 nan 0.000 0.447 38 H N 1.934 121.029 119.070 0.043 0.000 2.960 38 H HA 0.434 4.989 4.556 -0.000 0.000 0.302 38 H C 0.567 175.786 175.328 -0.182 0.000 1.515 38 H CA -0.180 55.762 56.048 -0.176 0.000 1.431 38 H CB 1.272 30.752 29.762 -0.469 0.000 1.890 38 H HN 0.609 nan 8.280 nan 0.000 0.762 39 H N -0.628 117.872 119.070 -0.949 0.000 2.827 39 H HA 0.495 5.051 4.556 -0.000 0.000 0.269 39 H C -0.888 174.319 175.328 -0.201 0.000 1.031 39 H CA 0.278 56.063 56.048 -0.437 0.000 1.202 39 H CB 0.424 29.977 29.762 -0.348 0.000 1.511 39 H HN 0.415 nan 8.280 nan 0.000 0.517 40 A N 1.026 123.541 122.820 -0.509 0.000 2.547 40 A HA 0.479 4.799 4.320 -0.000 0.000 0.279 40 A C -2.021 175.409 177.584 -0.255 0.000 1.088 40 A CA -0.595 51.311 52.037 -0.219 0.000 0.796 40 A CB 0.354 19.215 19.000 -0.232 0.000 1.308 40 A HN 0.249 nan 8.150 nan 0.000 0.415 41 Y N 2.005 122.295 120.300 -0.017 0.000 2.342 41 Y HA 0.600 5.150 4.550 -0.000 0.000 0.334 41 Y C 0.162 175.840 175.900 -0.371 0.000 1.067 41 Y CA -0.761 57.226 58.100 -0.189 0.000 1.128 41 Y CB 1.889 40.188 38.460 -0.269 0.000 1.200 41 Y HN 0.608 nan 8.280 nan 0.000 0.464 42 L N 5.091 126.189 121.223 -0.208 0.000 2.319 42 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 42 L C -1.841 174.950 176.870 -0.132 0.000 1.005 42 L CA -0.723 54.014 54.840 -0.171 0.000 0.828 42 L CB 0.629 42.655 42.059 -0.055 0.000 1.227 42 L HN 0.559 nan 8.230 nan 0.000 0.415 43 F N 2.879 122.932 119.950 0.171 0.000 2.334 43 F HA 0.326 4.853 4.527 -0.000 0.000 0.367 43 F C 0.740 176.586 175.800 0.077 0.000 1.115 43 F CA -0.694 57.383 58.000 0.128 0.000 1.116 43 F CB 1.529 40.571 39.000 0.070 0.000 1.230 43 F HN 0.389 nan 8.300 nan 0.000 0.484 44 S N 1.590 117.452 115.700 0.269 0.000 2.525 44 S HA 0.971 5.441 4.470 -0.000 0.000 0.290 44 S C -0.066 174.517 174.600 -0.029 0.000 1.152 44 S CA -0.620 57.680 58.200 0.167 0.000 1.072 44 S CB 1.853 65.234 63.200 0.301 0.000 1.027 44 S HN 1.052 nan 8.310 nan 0.000 0.500 45 G N 1.297 110.068 108.800 -0.047 0.000 2.404 45 G HA2 0.461 4.421 3.960 -0.000 0.000 0.298 45 G HA3 0.461 4.421 3.960 -0.000 0.000 0.298 45 G C -0.380 174.490 174.900 -0.050 0.000 1.577 45 G CA -0.262 44.749 45.100 -0.147 0.000 0.847 45 G HN 0.978 nan 8.290 nan 0.000 0.598 46 T N -0.233 114.294 114.554 -0.044 0.000 2.732 46 T HA 0.423 4.773 4.350 -0.000 0.000 0.365 46 T C 0.679 175.371 174.700 -0.012 0.000 1.077 46 T CA -0.311 61.783 62.100 -0.010 0.000 1.044 46 T CB 0.360 69.228 68.868 -0.001 0.000 1.220 46 T HN 0.496 nan 8.240 nan 0.000 0.517 47 R N 0.802 121.302 120.500 -0.000 0.000 2.537 47 R HA 0.356 4.696 4.340 -0.000 0.000 0.280 47 R C 1.514 177.808 176.300 -0.010 0.000 1.058 47 R CA 0.553 56.654 56.100 0.002 0.000 1.057 47 R CB -0.443 29.863 30.300 0.010 0.000 0.973 47 R HN 1.188 nan 8.270 nan 0.000 0.438 48 G N 1.766 110.559 108.800 -0.011 0.000 2.390 48 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.299 48 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.299 48 G C 0.603 175.481 174.900 -0.036 0.000 1.002 48 G CA 0.704 45.793 45.100 -0.019 0.000 0.979 48 G HN 0.561 nan 8.290 nan 0.000 0.513 49 V N -3.837 116.044 119.914 -0.054 0.000 3.660 49 V HA 0.678 4.798 4.120 -0.000 0.000 0.276 49 V C 1.665 177.695 176.094 -0.107 0.000 1.317 49 V CA 1.118 63.373 62.300 -0.075 0.000 1.097 49 V CB 0.309 32.082 31.823 -0.085 0.000 0.863 49 V HN 2.089 nan 8.190 nan 0.000 0.438 50 G N 0.309 109.042 108.800 -0.111 0.000 2.198 50 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.156 50 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.156 50 G C 0.670 175.436 174.900 -0.222 0.000 1.012 50 G CA 0.233 45.238 45.100 -0.158 0.000 0.692 50 G HN 0.388 nan 8.290 nan 0.000 0.492 51 K N 0.019 120.311 120.400 -0.180 0.000 1.978 51 K HA -0.088 4.232 4.320 -0.000 0.000 0.214 51 K C 2.498 178.988 176.600 -0.183 0.000 1.049 51 K CA 2.039 58.208 56.287 -0.197 0.000 0.939 51 K CB -0.399 32.076 32.500 -0.041 0.000 0.721 51 K HN 0.278 nan 8.250 nan 0.000 0.441 52 T N 0.936 115.445 114.554 -0.074 0.000 2.833 52 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 52 T C 2.102 176.758 174.700 -0.073 0.000 1.054 52 T CA 1.287 63.369 62.100 -0.031 0.000 1.135 52 T CB -0.105 68.766 68.868 0.006 0.000 0.869 52 T HN 0.145 nan 8.240 nan 0.000 0.466 53 S N 0.951 116.584 115.700 -0.112 0.000 2.355 53 S HA 0.060 4.530 4.470 -0.000 0.000 0.222 53 S C 2.023 176.519 174.600 -0.174 0.000 1.031 53 S CA 0.796 58.929 58.200 -0.111 0.000 0.993 53 S CB -0.286 62.847 63.200 -0.112 0.000 0.859 53 S HN 0.420 nan 8.310 nan 0.000 0.453 54 I N 1.414 121.789 120.570 -0.326 0.000 2.233 54 I HA -0.147 4.023 4.170 -0.000 0.000 0.243 54 I C 2.742 178.635 176.117 -0.374 0.000 1.093 54 I CA 0.992 62.002 61.300 -0.483 0.000 1.380 54 I CB -0.607 36.930 38.000 -0.771 0.000 1.067 54 I HN 0.257 nan 8.210 nan 0.000 0.413 55 A N 0.965 123.588 122.820 -0.328 0.000 1.865 55 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 55 A C 2.433 180.041 177.584 0.040 0.000 1.191 55 A CA 1.949 54.004 52.037 0.031 0.000 0.623 55 A CB -0.782 18.379 19.000 0.267 0.000 0.826 55 A HN 0.334 nan 8.150 nan 0.000 0.444 56 R N -0.554 119.952 120.500 0.010 0.000 2.103 56 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 56 R C 1.921 178.231 176.300 0.017 0.000 1.142 56 R CA 1.666 57.777 56.100 0.018 0.000 0.960 56 R CB -0.352 29.950 30.300 0.003 0.000 0.858 56 R HN 0.549 nan 8.270 nan 0.000 0.439 57 L N 0.506 121.745 121.223 0.028 0.000 2.313 57 L HA -0.124 4.215 4.340 -0.000 0.000 0.214 57 L C 2.173 179.194 176.870 0.251 0.000 1.119 57 L CA 0.177 55.107 54.840 0.149 0.000 0.809 57 L CB -0.192 42.017 42.059 0.251 0.000 0.933 57 L HN 0.302 nan 8.230 nan 0.000 0.449 58 L N 0.224 121.538 121.223 0.150 0.000 2.034 58 L HA -0.004 4.336 4.340 -0.000 0.000 0.203 58 L C 2.642 179.535 176.870 0.039 0.000 1.074 58 L CA 2.110 57.027 54.840 0.128 0.000 0.748 58 L CB -1.023 41.046 42.059 0.018 0.000 0.905 58 L HN 0.080 nan 8.230 nan 0.000 0.439 59 A N -0.245 122.596 122.820 0.035 0.000 1.948 59 A HA -0.329 3.990 4.320 -0.000 0.000 0.220 59 A C 2.454 180.020 177.584 -0.030 0.000 1.177 59 A CA 2.277 54.325 52.037 0.018 0.000 0.636 59 A CB -0.788 18.244 19.000 0.053 0.000 0.815 59 A HN 0.575 nan 8.150 nan 0.000 0.449 60 K N -0.879 119.490 120.400 -0.051 0.000 2.097 60 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 60 K C 1.842 178.372 176.600 -0.115 0.000 1.049 60 K CA 1.459 57.675 56.287 -0.118 0.000 0.933 60 K CB -0.424 32.018 32.500 -0.097 0.000 0.717 60 K HN 0.408 nan 8.250 nan 0.000 0.442 61 G N 0.309 109.050 108.800 -0.098 0.000 2.603 61 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.214 61 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.214 61 G C 1.367 176.232 174.900 -0.058 0.000 1.140 61 G CA -0.077 44.951 45.100 -0.120 0.000 0.800 61 G HN 0.150 nan 8.290 nan 0.000 0.533 62 L N 0.440 121.636 121.223 -0.046 0.000 2.056 62 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 62 L C 2.104 179.055 176.870 0.134 0.000 1.078 62 L CA 0.828 55.641 54.840 -0.046 0.000 0.749 62 L CB -0.135 41.806 42.059 -0.197 0.000 0.901 62 L HN 0.149 nan 8.230 nan 0.000 0.433 63 N N -0.859 117.911 118.700 0.117 0.000 2.336 63 N HA -0.010 4.730 4.740 -0.000 0.000 0.189 63 N C 0.371 175.926 175.510 0.075 0.000 1.113 63 N CA 0.031 53.189 53.050 0.180 0.000 0.858 63 N CB -0.077 38.530 38.487 0.200 0.000 0.970 63 N HN 0.242 nan 8.380 nan 0.000 0.471 64 C N 2.214 121.517 119.300 0.005 0.000 2.590 64 C HA 0.020 4.480 4.460 -0.000 0.000 0.411 64 C C 1.858 176.861 174.990 0.022 0.000 1.420 64 C CA -0.252 58.753 59.018 -0.021 0.000 1.643 64 C CB -0.601 27.108 27.740 -0.053 0.000 2.528 64 C HN 0.464 nan 8.230 nan 0.000 0.606 65 E N 2.197 122.411 120.200 0.024 0.000 2.233 65 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 65 E C 2.050 178.663 176.600 0.022 0.000 1.004 65 E CA 1.973 58.394 56.400 0.035 0.000 0.819 65 E CB -0.023 29.696 29.700 0.032 0.000 0.738 65 E HN 0.920 nan 8.360 nan 0.000 0.478 66 T N -0.774 113.784 114.554 0.006 0.000 2.867 66 T HA 0.066 4.416 4.350 -0.000 0.000 0.268 66 T C 0.468 175.174 174.700 0.011 0.000 1.057 66 T CA 1.057 63.158 62.100 0.001 0.000 1.136 66 T CB 0.053 68.912 68.868 -0.015 0.000 0.874 66 T HN 0.429 nan 8.240 nan 0.000 0.466 67 G N -0.458 108.355 108.800 0.021 0.000 2.361 67 G HA2 0.201 4.161 3.960 -0.000 0.000 0.305 67 G HA3 0.201 4.161 3.960 -0.000 0.000 0.305 67 G C -1.358 173.570 174.900 0.047 0.000 1.367 67 G CA -1.038 44.085 45.100 0.038 0.000 0.951 67 G HN 0.236 nan 8.290 nan 0.000 0.615 68 I N 1.613 122.229 120.570 0.076 0.000 2.494 68 I HA 0.396 4.566 4.170 -0.000 0.000 0.289 68 I C 0.687 176.817 176.117 0.021 0.000 1.106 68 I CA 0.555 61.902 61.300 0.078 0.000 1.369 68 I CB 0.903 38.980 38.000 0.128 0.000 1.410 68 I HN 0.534 nan 8.210 nan 0.000 0.523 69 T N 4.103 118.642 114.554 -0.025 0.000 2.900 69 T HA 0.541 4.891 4.350 -0.000 0.000 0.303 69 T C 0.361 174.970 174.700 -0.152 0.000 1.142 69 T CA -0.289 61.767 62.100 -0.072 0.000 1.007 69 T CB 1.750 70.568 68.868 -0.083 0.000 1.156 69 T HN 0.563 nan 8.240 nan 0.000 0.490 70 A N 2.007 124.715 122.820 -0.187 0.000 2.251 70 A HA 0.325 4.645 4.320 -0.000 0.000 0.209 70 A C 1.025 178.281 177.584 -0.547 0.000 1.187 70 A CA 0.737 52.558 52.037 -0.359 0.000 0.823 70 A CB -0.388 18.506 19.000 -0.176 0.000 0.846 70 A HN 0.958 nan 8.150 nan 0.000 0.486 71 T N -1.358 112.998 114.554 -0.330 0.000 3.327 71 T HA 0.495 4.845 4.350 -0.000 0.000 0.373 71 T C -3.076 171.496 174.700 -0.213 0.000 1.589 71 T CA -2.002 59.929 62.100 -0.281 0.000 1.497 71 T CB 0.714 69.482 68.868 -0.166 0.000 1.032 71 T HN -0.080 nan 8.240 nan 0.000 0.640 72 P HA 0.052 nan 4.420 nan 0.000 0.262 72 P C 1.555 178.783 177.300 -0.119 0.000 1.182 72 P CA -0.391 62.610 63.100 -0.165 0.000 0.761 72 P CB 0.335 31.931 31.700 -0.172 0.000 0.795 73 C N 1.781 121.028 119.300 -0.087 0.000 2.435 73 C HA 0.138 4.597 4.460 -0.000 0.000 0.279 73 C C 1.852 176.808 174.990 -0.058 0.000 1.321 73 C CA 0.682 59.662 59.018 -0.063 0.000 1.752 73 C CB -1.693 26.019 27.740 -0.046 0.000 1.959 73 C HN 0.754 nan 8.230 nan 0.000 0.500 74 G N 0.289 109.048 108.800 -0.067 0.000 2.153 74 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.252 74 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.252 74 G C 0.622 175.494 174.900 -0.046 0.000 0.994 74 G CA 1.067 46.131 45.100 -0.061 0.000 0.698 74 G HN 1.728 nan 8.290 nan 0.000 0.521 75 V N -3.388 116.502 119.914 -0.040 0.000 3.426 75 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 75 V C 1.726 177.808 176.094 -0.021 0.000 1.544 75 V CA 0.474 62.757 62.300 -0.027 0.000 1.017 75 V CB -0.849 30.961 31.823 -0.021 0.000 0.821 75 V HN 1.305 nan 8.190 nan 0.000 0.432 76 C N 0.575 119.860 119.300 -0.025 0.000 2.649 76 C HA 0.427 4.887 4.460 -0.000 0.000 0.377 76 C C 1.729 176.714 174.990 -0.009 0.000 1.321 76 C CA 0.340 59.350 59.018 -0.012 0.000 2.368 76 C CB 0.628 28.360 27.740 -0.014 0.000 2.597 76 C HN 0.528 nan 8.230 nan 0.000 0.678 77 D N 1.234 121.645 120.400 0.017 0.000 2.123 77 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 77 D C 1.658 177.990 176.300 0.053 0.000 0.992 77 D CA 1.714 55.739 54.000 0.042 0.000 0.833 77 D CB -0.348 40.493 40.800 0.068 0.000 0.954 77 D HN 0.664 nan 8.370 nan 0.000 0.455 78 N N 0.202 118.929 118.700 0.045 0.000 2.223 78 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 78 N C 1.899 177.168 175.510 -0.402 0.000 1.016 78 N CA 0.554 53.543 53.050 -0.102 0.000 0.863 78 N CB -0.511 37.938 38.487 -0.064 0.000 0.983 78 N HN 0.247 nan 8.380 nan 0.000 0.429 79 C N 0.522 119.695 119.300 -0.211 0.000 2.518 79 C HA 0.094 4.554 4.460 -0.000 0.000 0.279 79 C C 2.531 177.432 174.990 -0.149 0.000 1.279 79 C CA 0.007 58.903 59.018 -0.203 0.000 1.703 79 C CB -0.731 26.932 27.740 -0.128 0.000 2.072 79 C HN 0.476 nan 8.230 nan 0.000 0.487 80 R N 1.104 121.555 120.500 -0.082 0.000 2.096 80 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 80 R C 2.041 178.323 176.300 -0.030 0.000 1.139 80 R CA 1.664 57.737 56.100 -0.044 0.000 0.952 80 R CB -0.491 29.800 30.300 -0.016 0.000 0.854 80 R HN 0.659 nan 8.270 nan 0.000 0.436 81 E N 0.471 120.669 120.200 -0.003 0.000 2.110 81 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 81 E C 1.981 178.605 176.600 0.040 0.000 0.988 81 E CA 0.931 57.386 56.400 0.091 0.000 0.804 81 E CB -0.038 29.858 29.700 0.326 0.000 0.745 81 E HN 0.358 nan 8.360 nan 0.000 0.458 82 I N 0.756 121.218 120.570 -0.179 0.000 2.546 82 I HA -0.179 3.991 4.170 -0.000 0.000 0.255 82 I C 2.258 178.332 176.117 -0.072 0.000 1.163 82 I CA 0.636 61.825 61.300 -0.186 0.000 1.457 82 I CB -0.022 37.762 38.000 -0.360 0.000 1.092 82 I HN 0.046 nan 8.210 nan 0.000 0.434 83 E N 1.222 121.382 120.200 -0.067 0.000 2.107 83 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 83 E C 1.984 178.576 176.600 -0.014 0.000 0.982 83 E CA 1.363 57.739 56.400 -0.039 0.000 0.809 83 E CB -0.018 29.656 29.700 -0.044 0.000 0.756 83 E HN 0.479 nan 8.360 nan 0.000 0.459 84 Q N -1.525 118.276 119.800 0.001 0.000 2.451 84 Q HA 0.194 4.534 4.340 -0.000 0.000 0.206 84 Q C 1.017 177.034 176.000 0.028 0.000 0.947 84 Q CA 0.518 56.328 55.803 0.012 0.000 0.937 84 Q CB 0.589 29.337 28.738 0.017 0.000 1.025 84 Q HN 0.390 nan 8.270 nan 0.000 0.511 85 G N 1.238 110.064 108.800 0.042 0.000 2.199 85 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 85 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 85 G C 0.546 175.501 174.900 0.091 0.000 0.982 85 G CA -0.184 44.953 45.100 0.062 0.000 0.632 85 G HN 0.134 nan 8.290 nan 0.000 0.529 86 R N -0.060 120.498 120.500 0.096 0.000 4.464 86 R HA 0.316 4.656 4.340 -0.000 0.000 0.229 86 R C -0.470 175.935 176.300 0.175 0.000 1.916 86 R CA -0.463 55.696 56.100 0.099 0.000 1.601 86 R CB -1.005 29.336 30.300 0.069 0.000 1.315 86 R HN 0.307 nan 8.270 nan 0.000 0.725 87 F N 0.444 120.388 119.950 -0.009 0.000 2.308 87 F HA 0.077 4.604 4.527 -0.000 0.000 0.370 87 F C 1.555 177.342 175.800 -0.022 0.000 1.100 87 F CA -1.253 56.740 58.000 -0.012 0.000 1.108 87 F CB 0.997 39.993 39.000 -0.007 0.000 1.293 87 F HN -0.105 nan 8.300 nan 0.000 0.478 88 V N 4.577 124.286 119.914 -0.342 0.000 2.363 88 V HA -0.287 3.833 4.120 -0.000 0.000 0.254 88 V C 1.244 177.146 176.094 -0.321 0.000 1.074 88 V CA 2.675 64.799 62.300 -0.293 0.000 1.069 88 V CB -0.194 31.448 31.823 -0.302 0.000 0.659 88 V HN 0.696 nan 8.190 nan 0.000 0.455 89 D N -0.019 120.044 120.400 -0.562 0.000 2.370 89 D HA 0.173 4.812 4.640 -0.000 0.000 0.230 89 D C 0.106 176.411 176.300 0.008 0.000 1.143 89 D CA 0.045 53.868 54.000 -0.295 0.000 0.834 89 D CB 0.637 41.251 40.800 -0.310 0.000 0.944 89 D HN 0.415 nan 8.370 nan 0.000 0.504 90 L N 1.438 122.698 121.223 0.062 0.000 2.556 90 L HA 0.321 4.661 4.340 -0.000 0.000 0.243 90 L C -0.545 176.328 176.870 0.006 0.000 1.331 90 L CA -0.407 54.505 54.840 0.120 0.000 0.927 90 L CB 0.426 42.642 42.059 0.261 0.000 1.219 90 L HN -0.125 nan 8.230 nan 0.000 0.490 91 I N 2.370 122.864 120.570 -0.126 0.000 2.460 91 I HA 0.057 4.227 4.170 -0.000 0.000 0.297 91 I C 0.300 176.431 176.117 0.022 0.000 1.139 91 I CA 0.260 61.492 61.300 -0.113 0.000 1.340 91 I CB 0.004 37.796 38.000 -0.347 0.000 1.444 91 I HN 0.469 nan 8.210 nan 0.000 0.557 92 E N 7.319 127.551 120.200 0.053 0.000 2.052 92 E HA 0.383 4.732 4.350 -0.000 0.000 0.283 92 E C -0.439 176.214 176.600 0.088 0.000 1.071 92 E CA -0.251 56.198 56.400 0.082 0.000 0.851 92 E CB 1.112 30.852 29.700 0.067 0.000 1.066 92 E HN 0.518 nan 8.360 nan 0.000 0.396 93 I N 2.344 122.982 120.570 0.112 0.000 2.377 93 I HA 0.156 4.326 4.170 -0.000 0.000 0.293 93 I C 0.082 176.241 176.117 0.069 0.000 0.987 93 I CA -0.599 60.758 61.300 0.095 0.000 1.185 93 I CB 1.361 39.431 38.000 0.116 0.000 1.341 93 I HN 0.366 nan 8.210 nan 0.000 0.455 94 D N 5.828 126.256 120.400 0.047 0.000 2.454 94 D HA 0.310 4.950 4.640 -0.000 0.000 0.225 94 D C 0.491 176.797 176.300 0.010 0.000 1.081 94 D CA -0.325 53.695 54.000 0.033 0.000 0.864 94 D CB 1.834 42.652 40.800 0.030 0.000 1.040 94 D HN 0.675 nan 8.370 nan 0.000 0.517 95 A N 2.820 125.636 122.820 -0.007 0.000 2.261 95 A HA 0.273 4.593 4.320 -0.000 0.000 0.208 95 A C 1.410 178.954 177.584 -0.068 0.000 1.223 95 A CA 0.780 52.785 52.037 -0.053 0.000 0.833 95 A CB 0.085 19.028 19.000 -0.096 0.000 0.830 95 A HN 0.518 nan 8.150 nan 0.000 0.483 96 A N -1.384 121.415 122.820 -0.036 0.000 2.324 96 A HA 0.436 4.756 4.320 -0.000 0.000 0.220 96 A C 1.094 178.667 177.584 -0.018 0.000 1.209 96 A CA 0.401 52.415 52.037 -0.038 0.000 0.918 96 A CB -0.073 18.917 19.000 -0.017 0.000 0.959 96 A HN 0.313 nan 8.150 nan 0.000 0.507 97 S N 0.077 115.773 115.700 -0.008 0.000 2.528 97 S HA 0.266 4.736 4.470 -0.000 0.000 0.277 97 S C 1.145 175.743 174.600 -0.004 0.000 1.297 97 S CA -0.452 57.748 58.200 -0.000 0.000 1.052 97 S CB 0.660 63.865 63.200 0.009 0.000 0.917 97 S HN 0.525 nan 8.310 nan 0.000 0.492 98 R N 2.790 123.289 120.500 -0.003 0.000 2.173 98 R HA -0.007 4.333 4.340 -0.000 0.000 0.208 98 R C 1.540 177.840 176.300 -0.000 0.000 1.035 98 R CA 1.246 57.344 56.100 -0.004 0.000 1.004 98 R CB -0.455 29.843 30.300 -0.003 0.000 0.917 98 R HN 0.699 nan 8.270 nan 0.000 0.462 99 T N 1.226 115.782 114.554 0.003 0.000 2.674 99 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 99 T C 1.196 175.900 174.700 0.007 0.000 1.039 99 T CA 1.469 63.572 62.100 0.005 0.000 1.150 99 T CB -0.021 68.852 68.868 0.008 0.000 0.864 99 T HN 0.313 nan 8.240 nan 0.000 0.427 100 K N 2.032 122.438 120.400 0.009 0.000 2.437 100 K HA 0.229 4.548 4.320 -0.000 0.000 0.198 100 K C 2.007 178.615 176.600 0.014 0.000 1.024 100 K CA -0.003 56.293 56.287 0.014 0.000 1.148 100 K CB -0.154 32.358 32.500 0.019 0.000 0.860 100 K HN 0.292 nan 8.250 nan 0.000 0.515 101 V N -0.477 119.441 119.914 0.007 0.000 2.418 101 V HA -0.389 3.730 4.120 -0.000 0.000 0.258 101 V C 2.093 178.193 176.094 0.009 0.000 1.088 101 V CA 2.282 64.585 62.300 0.005 0.000 1.091 101 V CB -0.614 31.206 31.823 -0.005 0.000 0.669 101 V HN 0.433 nan 8.190 nan 0.000 0.461 102 E N 0.292 120.496 120.200 0.007 0.000 2.033 102 E HA -0.197 4.153 4.350 -0.000 0.000 0.189 102 E C 2.062 178.677 176.600 0.024 0.000 0.979 102 E CA 1.010 57.414 56.400 0.007 0.000 0.802 102 E CB -0.210 29.491 29.700 0.002 0.000 0.763 102 E HN 0.673 nan 8.360 nan 0.000 0.449 103 D N 0.205 120.621 120.400 0.027 0.000 2.172 103 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 103 D C 1.824 178.155 176.300 0.053 0.000 0.999 103 D CA 1.620 55.642 54.000 0.037 0.000 0.856 103 D CB -0.136 40.685 40.800 0.035 0.000 0.934 103 D HN 0.251 nan 8.370 nan 0.000 0.453 104 T N 0.852 115.437 114.554 0.052 0.000 2.580 104 T HA -0.218 4.132 4.350 -0.000 0.000 0.265 104 T C 1.969 176.720 174.700 0.084 0.000 1.063 104 T CA 1.320 63.459 62.100 0.065 0.000 1.170 104 T CB -0.212 68.688 68.868 0.052 0.000 0.863 104 T HN 0.172 nan 8.240 nan 0.000 0.418 105 R N 0.859 121.421 120.500 0.105 0.000 2.083 105 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 105 R C 2.062 178.428 176.300 0.109 0.000 1.137 105 R CA 2.074 58.269 56.100 0.158 0.000 0.951 105 R CB -0.412 29.953 30.300 0.109 0.000 0.851 105 R HN 0.424 nan 8.270 nan 0.000 0.434 106 D N 0.735 121.179 120.400 0.074 0.000 2.088 106 D HA -0.219 4.421 4.640 -0.000 0.000 0.191 106 D C 2.107 178.451 176.300 0.073 0.000 0.992 106 D CA 1.601 55.639 54.000 0.063 0.000 0.831 106 D CB -0.484 40.344 40.800 0.048 0.000 0.973 106 D HN 0.278 nan 8.370 nan 0.000 0.447 107 L N 0.554 121.825 121.223 0.080 0.000 2.043 107 L HA -0.200 4.139 4.340 -0.000 0.000 0.212 107 L C 2.764 179.702 176.870 0.114 0.000 1.075 107 L CA 0.861 55.761 54.840 0.101 0.000 0.752 107 L CB -0.497 41.633 42.059 0.117 0.000 0.891 107 L HN 0.042 nan 8.230 nan 0.000 0.432 108 L N -0.648 120.632 121.223 0.095 0.000 2.046 108 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 108 L C 2.279 179.166 176.870 0.027 0.000 1.077 108 L CA 1.119 55.984 54.840 0.042 0.000 0.747 108 L CB -0.681 41.375 42.059 -0.004 0.000 0.896 108 L HN 0.331 nan 8.230 nan 0.000 0.432 109 D N -0.371 120.063 120.400 0.056 0.000 2.144 109 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 109 D C 1.301 177.646 176.300 0.074 0.000 0.978 109 D CA 1.062 55.100 54.000 0.063 0.000 0.833 109 D CB -0.329 40.518 40.800 0.079 0.000 0.961 109 D HN 0.365 nan 8.370 nan 0.000 0.470 110 N N 1.112 119.859 118.700 0.079 0.000 3.052 110 N HA 0.090 4.830 4.740 -0.000 0.000 0.302 110 N C -0.234 175.336 175.510 0.101 0.000 1.332 110 N CA -0.371 52.733 53.050 0.089 0.000 1.129 110 N CB 0.353 38.886 38.487 0.076 0.000 1.436 110 N HN -0.201 nan 8.380 nan 0.000 0.536 111 V N 1.444 121.409 119.914 0.084 0.000 3.178 111 V HA -0.112 4.008 4.120 -0.000 0.000 0.306 111 V C 0.488 176.645 176.094 0.105 0.000 1.107 111 V CA 0.600 62.926 62.300 0.043 0.000 1.195 111 V CB 1.350 33.059 31.823 -0.191 0.000 0.993 111 V HN 0.492 nan 8.190 nan 0.000 0.493 112 Q N 1.727 121.599 119.800 0.119 0.000 2.508 112 Q HA 0.339 4.679 4.340 -0.000 0.000 0.247 112 Q C -0.281 175.809 176.000 0.150 0.000 1.047 112 Q CA -0.149 55.744 55.803 0.149 0.000 0.783 112 Q CB 0.462 29.262 28.738 0.103 0.000 1.172 112 Q HN 0.621 nan 8.270 nan 0.000 0.515 113 Y N 0.429 120.782 120.300 0.089 0.000 2.497 113 Y HA 0.133 4.683 4.550 -0.000 0.000 0.292 113 Y C 0.891 176.833 175.900 0.071 0.000 1.137 113 Y CA 0.857 59.013 58.100 0.092 0.000 1.285 113 Y CB 0.371 38.875 38.460 0.073 0.000 0.991 113 Y HN 0.506 nan 8.280 nan 0.000 0.556 114 A N 0.955 123.882 122.820 0.179 0.000 2.277 114 A HA 0.519 4.838 4.320 -0.000 0.000 0.318 114 A C -2.645 174.942 177.584 0.004 0.000 1.339 114 A CA -1.745 50.321 52.037 0.049 0.000 0.875 114 A CB 0.036 19.047 19.000 0.019 0.000 1.158 114 A HN -0.082 nan 8.150 nan 0.000 0.514 115 P HA 0.284 nan 4.420 nan 0.000 0.271 115 P C 0.864 178.113 177.300 -0.085 0.000 1.226 115 P CA 0.073 63.140 63.100 -0.054 0.000 0.765 115 P CB 1.470 33.149 31.700 -0.034 0.000 0.835 116 A N 3.530 126.284 122.820 -0.110 0.000 1.968 116 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 116 A C 2.055 179.561 177.584 -0.130 0.000 1.169 116 A CA 1.615 53.581 52.037 -0.118 0.000 0.638 116 A CB -0.407 18.515 19.000 -0.131 0.000 0.812 116 A HN 0.420 nan 8.150 nan 0.000 0.446 117 R N -1.877 118.516 120.500 -0.178 0.000 2.977 117 R HA 0.268 4.607 4.340 -0.000 0.000 0.161 117 R C 1.209 177.495 176.300 -0.022 0.000 0.805 117 R CA 0.881 56.900 56.100 -0.136 0.000 1.044 117 R CB -0.449 29.695 30.300 -0.260 0.000 1.433 117 R HN 0.358 nan 8.270 nan 0.000 0.570 118 G N 0.444 109.255 108.800 0.018 0.000 2.562 118 G HA2 0.212 4.171 3.960 -0.000 0.000 0.275 118 G HA3 0.212 4.171 3.960 -0.000 0.000 0.275 118 G C 0.062 175.027 174.900 0.107 0.000 1.196 118 G CA -0.253 44.980 45.100 0.223 0.000 0.908 118 G HN 0.423 nan 8.290 nan 0.000 0.524 119 R N -1.294 119.274 120.500 0.113 0.000 2.328 119 R HA 0.120 4.460 4.340 -0.000 0.000 0.207 119 R C -0.561 175.554 176.300 -0.310 0.000 1.056 119 R CA 0.643 56.683 56.100 -0.100 0.000 1.016 119 R CB -0.152 30.070 30.300 -0.130 0.000 0.872 119 R HN 0.235 nan 8.270 nan 0.000 0.471 120 F N 0.239 120.257 119.950 0.114 0.000 2.581 120 F HA 0.329 4.856 4.527 -0.000 0.000 0.311 120 F C -0.434 175.409 175.800 0.072 0.000 1.113 120 F CA -1.474 56.590 58.000 0.107 0.000 0.935 120 F CB 2.077 41.141 39.000 0.106 0.000 1.232 120 F HN -0.302 nan 8.300 nan 0.000 0.445 121 K N 2.310 122.845 120.400 0.226 0.000 2.284 121 K HA 0.556 4.876 4.320 -0.000 0.000 0.287 121 K C -1.324 175.304 176.600 0.047 0.000 1.081 121 K CA -0.119 56.203 56.287 0.058 0.000 0.910 121 K CB 0.679 33.206 32.500 0.045 0.000 1.088 121 K HN 0.457 nan 8.250 nan 0.000 0.478 122 V N 6.651 126.561 119.914 -0.006 0.000 2.350 122 V HA 0.246 4.366 4.120 -0.000 0.000 0.276 122 V C -0.842 175.207 176.094 -0.074 0.000 1.028 122 V CA -0.714 61.603 62.300 0.028 0.000 0.860 122 V CB 0.241 32.126 31.823 0.104 0.000 0.990 122 V HN 0.587 nan 8.190 nan 0.000 0.453 123 Y N 4.903 125.231 120.300 0.048 0.000 2.350 123 Y HA 0.454 5.004 4.550 -0.000 0.000 0.340 123 Y C 0.184 176.215 175.900 0.219 0.000 1.006 123 Y CA -0.662 57.535 58.100 0.162 0.000 1.166 123 Y CB 1.255 39.898 38.460 0.305 0.000 1.168 123 Y HN 0.399 nan 8.280 nan 0.000 0.502 124 L N 6.523 127.909 121.223 0.271 0.000 2.294 124 L HA 0.547 4.886 4.340 -0.000 0.000 0.283 124 L C -1.266 175.729 176.870 0.207 0.000 1.015 124 L CA -0.405 54.574 54.840 0.230 0.000 0.831 124 L CB 0.284 42.441 42.059 0.164 0.000 1.217 124 L HN 0.662 nan 8.230 nan 0.000 0.420 125 I N 4.507 125.201 120.570 0.206 0.000 2.339 125 I HA 0.273 4.442 4.170 -0.000 0.000 0.290 125 I C -0.059 176.135 176.117 0.128 0.000 0.994 125 I CA -0.480 60.907 61.300 0.145 0.000 1.191 125 I CB 1.793 39.855 38.000 0.104 0.000 1.343 125 I HN 0.511 nan 8.210 nan 0.000 0.458 126 D N 6.183 126.645 120.400 0.104 0.000 2.253 126 D HA 0.066 4.706 4.640 -0.000 0.000 0.249 126 D C 0.291 176.650 176.300 0.099 0.000 1.049 126 D CA 0.051 54.114 54.000 0.104 0.000 0.929 126 D CB 1.154 42.004 40.800 0.083 0.000 1.176 126 D HN 0.408 nan 8.370 nan 0.000 0.437 127 E N 1.297 121.582 120.200 0.142 0.000 2.202 127 E HA -0.179 4.170 4.350 -0.000 0.000 0.214 127 E C 1.275 177.982 176.600 0.177 0.000 1.303 127 E CA 0.227 56.758 56.400 0.219 0.000 0.714 127 E CB -1.619 28.168 29.700 0.146 0.000 1.130 127 E HN 0.371 nan 8.360 nan 0.000 0.356 128 V N 1.385 121.399 119.914 0.166 0.000 2.313 128 V HA -0.373 3.747 4.120 -0.000 0.000 0.253 128 V C 2.513 178.622 176.094 0.024 0.000 1.070 128 V CA 2.807 65.142 62.300 0.059 0.000 1.057 128 V CB -0.400 31.465 31.823 0.070 0.000 0.653 128 V HN 0.733 nan 8.190 nan 0.000 0.450 129 H N -1.260 117.826 119.070 0.027 0.000 2.492 129 H HA -0.136 4.420 4.556 -0.000 0.000 0.296 129 H C 1.518 176.871 175.328 0.042 0.000 1.095 129 H CA 1.387 57.500 56.048 0.108 0.000 1.281 129 H CB -0.674 29.165 29.762 0.129 0.000 1.374 129 H HN 0.406 nan 8.280 nan 0.000 0.545 130 M N 1.226 120.511 119.600 -0.526 0.000 2.729 130 M HA 0.244 4.723 4.480 -0.000 0.000 0.229 130 M C 0.015 176.146 176.300 -0.281 0.000 1.280 130 M CA -0.155 54.895 55.300 -0.418 0.000 1.012 130 M CB -0.565 31.776 32.600 -0.432 0.000 1.603 130 M HN 0.117 nan 8.290 nan 0.000 0.452 131 L N 0.979 121.951 121.223 -0.418 0.000 2.375 131 L HA 0.236 4.575 4.340 -0.000 0.000 0.271 131 L C 0.810 177.456 176.870 -0.373 0.000 1.107 131 L CA -0.530 54.002 54.840 -0.514 0.000 0.806 131 L CB 1.194 42.722 42.059 -0.884 0.000 1.146 131 L HN 0.314 nan 8.230 nan 0.000 0.447 132 S N 2.081 117.684 115.700 -0.163 0.000 2.533 132 S HA 0.117 4.587 4.470 -0.000 0.000 0.282 132 S C 1.110 175.770 174.600 0.100 0.000 1.304 132 S CA -0.589 57.627 58.200 0.026 0.000 1.063 132 S CB 0.783 64.068 63.200 0.141 0.000 0.881 132 S HN 0.617 nan 8.310 nan 0.000 0.493 133 R N 1.247 121.874 120.500 0.213 0.000 2.208 133 R HA -0.264 4.076 4.340 -0.000 0.000 0.262 133 R C 2.267 178.696 176.300 0.215 0.000 1.166 133 R CA 2.197 58.468 56.100 0.284 0.000 0.987 133 R CB -0.920 29.485 30.300 0.175 0.000 0.887 133 R HN 0.962 nan 8.270 nan 0.000 0.459 134 H N 0.216 119.330 119.070 0.075 0.000 2.270 134 H HA -0.004 4.552 4.556 -0.000 0.000 0.299 134 H C 1.803 177.149 175.328 0.030 0.000 1.077 134 H CA 1.934 58.008 56.048 0.043 0.000 1.294 134 H CB -0.283 29.489 29.762 0.017 0.000 1.371 134 H HN 0.004 nan 8.280 nan 0.000 0.491 135 S N 0.537 115.807 115.700 -0.715 0.000 2.365 135 S HA -0.132 4.338 4.470 -0.000 0.000 0.225 135 S C 1.989 176.402 174.600 -0.311 0.000 1.039 135 S CA 1.347 59.142 58.200 -0.676 0.000 1.033 135 S CB -0.601 62.373 63.200 -0.377 0.000 0.887 135 S HN 0.300 nan 8.310 nan 0.000 0.447 136 F N 2.637 122.472 119.950 -0.192 0.000 2.085 136 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 136 F C 2.290 178.004 175.800 -0.144 0.000 1.096 136 F CA 1.332 59.250 58.000 -0.137 0.000 1.227 136 F CB -0.693 38.261 39.000 -0.077 0.000 0.983 136 F HN 0.268 nan 8.300 nan 0.000 0.482 137 N N -0.402 118.344 118.700 0.077 0.000 2.300 137 N HA -0.024 4.715 4.740 -0.000 0.000 0.179 137 N C 2.019 177.498 175.510 -0.052 0.000 1.016 137 N CA 1.026 54.080 53.050 0.008 0.000 0.876 137 N CB -0.504 37.992 38.487 0.015 0.000 0.979 137 N HN 0.271 nan 8.380 nan 0.000 0.432 138 A N 1.711 124.452 122.820 -0.131 0.000 1.883 138 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 138 A C 2.243 179.746 177.584 -0.134 0.000 1.186 138 A CA 1.127 53.077 52.037 -0.145 0.000 0.624 138 A CB -0.786 18.058 19.000 -0.260 0.000 0.822 138 A HN 0.224 nan 8.150 nan 0.000 0.444 139 L N -0.415 120.700 121.223 -0.181 0.000 1.961 139 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 139 L C 2.285 179.059 176.870 -0.161 0.000 1.072 139 L CA 1.985 56.676 54.840 -0.248 0.000 0.749 139 L CB -0.739 41.127 42.059 -0.321 0.000 0.889 139 L HN 0.424 nan 8.230 nan 0.000 0.432 140 L N -0.253 120.919 121.223 -0.084 0.000 2.103 140 L HA -0.353 3.987 4.340 -0.000 0.000 0.215 140 L C 2.683 179.541 176.870 -0.020 0.000 1.080 140 L CA 2.215 57.033 54.840 -0.036 0.000 0.764 140 L CB -0.364 41.689 42.059 -0.009 0.000 0.890 140 L HN 0.488 nan 8.230 nan 0.000 0.435 141 K N -1.029 119.357 120.400 -0.024 0.000 2.148 141 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 141 K C 1.693 178.299 176.600 0.011 0.000 1.050 141 K CA 1.731 58.016 56.287 -0.003 0.000 0.942 141 K CB 0.058 32.557 32.500 -0.002 0.000 0.724 141 K HN 0.337 nan 8.250 nan 0.000 0.446 142 T N 0.985 115.540 114.554 0.002 0.000 2.985 142 T HA 0.018 4.368 4.350 -0.000 0.000 0.266 142 T C 1.688 176.451 174.700 0.104 0.000 1.076 142 T CA 0.633 62.764 62.100 0.050 0.000 1.135 142 T CB 0.017 68.930 68.868 0.076 0.000 0.890 142 T HN 0.131 nan 8.240 nan 0.000 0.480 143 L N 0.684 121.959 121.223 0.087 0.000 2.179 143 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 143 L C 2.811 179.754 176.870 0.123 0.000 1.096 143 L CA 0.980 55.931 54.840 0.185 0.000 0.779 143 L CB -0.421 41.718 42.059 0.132 0.000 0.922 143 L HN 0.199 nan 8.230 nan 0.000 0.443 144 E N 1.341 121.575 120.200 0.056 0.000 2.072 144 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 144 E C 0.970 177.564 176.600 -0.009 0.000 0.985 144 E CA 1.155 57.572 56.400 0.029 0.000 0.801 144 E CB 0.174 29.886 29.700 0.019 0.000 0.750 144 E HN 0.231 nan 8.360 nan 0.000 0.452 145 E N 0.189 120.385 120.200 -0.007 0.000 3.312 145 E HA 0.259 4.608 4.350 -0.000 0.000 0.215 145 E C -2.526 174.052 176.600 -0.037 0.000 1.160 145 E CA -2.829 53.559 56.400 -0.020 0.000 1.267 145 E CB 0.667 30.379 29.700 0.020 0.000 1.361 145 E HN 0.020 nan 8.360 nan 0.000 0.433 146 P HA -0.015 nan 4.420 nan 0.000 0.253 146 P C -2.449 174.793 177.300 -0.097 0.000 1.170 146 P CA -0.531 62.451 63.100 -0.196 0.000 0.806 146 P CB 0.014 31.329 31.700 -0.640 0.000 0.775 147 P HA 0.059 nan 4.420 nan 0.000 0.271 147 P C 0.327 177.621 177.300 -0.010 0.000 1.220 147 P CA 0.125 63.264 63.100 0.064 0.000 0.768 147 P CB 0.446 32.216 31.700 0.115 0.000 0.848 148 E N 2.712 122.869 120.200 -0.071 0.000 2.428 148 E HA -0.065 4.285 4.350 -0.000 0.000 0.257 148 E C 0.511 176.977 176.600 -0.223 0.000 1.197 148 E CA 0.342 56.587 56.400 -0.258 0.000 0.974 148 E CB 0.030 29.417 29.700 -0.522 0.000 0.976 148 E HN 0.510 nan 8.360 nan 0.000 0.463 149 H N -1.992 117.108 119.070 0.049 0.000 2.903 149 H HA -0.134 4.421 4.556 -0.000 0.000 0.285 149 H C -0.794 174.600 175.328 0.110 0.000 1.231 149 H CA 0.776 56.826 56.048 0.003 0.000 1.135 149 H CB -2.264 27.482 29.762 -0.026 0.000 1.328 149 H HN 0.084 nan 8.280 nan 0.000 0.388 150 V N 0.022 120.061 119.914 0.208 0.000 3.000 150 V HA 0.539 4.659 4.120 -0.000 0.000 0.300 150 V C -0.330 175.772 176.094 0.014 0.000 1.251 150 V CA -1.077 61.279 62.300 0.093 0.000 0.972 150 V CB 3.160 34.938 31.823 -0.074 0.000 1.065 150 V HN 0.052 nan 8.190 nan 0.000 0.431 151 K N 2.649 123.009 120.400 -0.068 0.000 2.498 151 K HA 0.675 4.995 4.320 -0.000 0.000 0.254 151 K C -1.764 174.748 176.600 -0.147 0.000 0.933 151 K CA -0.440 55.807 56.287 -0.067 0.000 0.806 151 K CB 2.606 35.117 32.500 0.019 0.000 1.301 151 K HN 0.470 nan 8.250 nan 0.000 0.432 152 F N 2.091 122.128 119.950 0.145 0.000 2.402 152 F HA 0.431 4.957 4.527 -0.000 0.000 0.355 152 F C 0.118 175.999 175.800 0.136 0.000 1.123 152 F CA -0.786 57.296 58.000 0.138 0.000 1.021 152 F CB 1.021 40.052 39.000 0.052 0.000 1.160 152 F HN 0.123 nan 8.300 nan 0.000 0.451 153 L N 5.843 127.297 121.223 0.385 0.000 2.277 153 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 153 L C -0.652 176.354 176.870 0.227 0.000 1.028 153 L CA -0.442 54.568 54.840 0.283 0.000 0.835 153 L CB 0.870 43.116 42.059 0.312 0.000 1.215 153 L HN 0.439 nan 8.230 nan 0.000 0.425 154 L N 3.413 124.704 121.223 0.113 0.000 2.307 154 L HA 0.763 5.103 4.340 -0.000 0.000 0.282 154 L C 0.180 177.137 176.870 0.146 0.000 1.051 154 L CA -0.450 54.452 54.840 0.104 0.000 0.804 154 L CB 1.701 43.786 42.059 0.045 0.000 1.197 154 L HN 0.647 nan 8.230 nan 0.000 0.431 155 A N 1.935 124.869 122.820 0.190 0.000 2.357 155 A HA 0.686 5.006 4.320 -0.000 0.000 0.295 155 A C -0.541 177.144 177.584 0.169 0.000 1.121 155 A CA -0.420 51.757 52.037 0.233 0.000 0.742 155 A CB 1.820 20.964 19.000 0.240 0.000 1.181 155 A HN 0.603 nan 8.150 nan 0.000 0.454 156 T N 0.145 114.781 114.554 0.137 0.000 2.903 156 T HA 0.547 4.897 4.350 -0.000 0.000 0.299 156 T C 0.899 175.599 174.700 -0.000 0.000 1.093 156 T CA 0.429 62.572 62.100 0.070 0.000 1.002 156 T CB 1.472 70.344 68.868 0.006 0.000 1.127 156 T HN 1.144 nan 8.240 nan 0.000 0.488 157 T N -0.241 114.271 114.554 -0.069 0.000 3.086 157 T HA 0.286 4.636 4.350 -0.000 0.000 0.250 157 T C 0.069 174.701 174.700 -0.115 0.000 1.074 157 T CA 0.011 62.082 62.100 -0.049 0.000 0.988 157 T CB -0.013 68.858 68.868 0.006 0.000 0.988 157 T HN 0.502 nan 8.240 nan 0.000 0.530 158 D N 1.401 121.617 120.400 -0.308 0.000 2.337 158 D HA 0.266 4.905 4.640 -0.000 0.000 0.238 158 D C -2.169 173.958 176.300 -0.288 0.000 1.331 158 D CA -1.917 51.924 54.000 -0.265 0.000 0.967 158 D CB 1.988 42.627 40.800 -0.267 0.000 1.382 158 D HN -0.075 nan 8.370 nan 0.000 0.549 159 P HA -0.150 nan 4.420 nan 0.000 0.219 159 P C 1.242 178.541 177.300 -0.001 0.000 1.150 159 P CA 0.873 63.960 63.100 -0.021 0.000 0.814 159 P CB 0.638 32.357 31.700 0.031 0.000 0.787 160 Q N 0.248 120.042 119.800 -0.011 0.000 2.135 160 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 160 Q C 1.954 177.973 176.000 0.032 0.000 0.981 160 Q CA 1.184 56.989 55.803 0.003 0.000 0.856 160 Q CB -0.400 28.337 28.738 -0.002 0.000 0.902 160 Q HN 0.264 nan 8.270 nan 0.000 0.425 161 K N 0.394 120.836 120.400 0.069 0.000 2.589 161 K HA -0.046 4.274 4.320 -0.000 0.000 0.195 161 K C 0.537 177.242 176.600 0.175 0.000 1.040 161 K CA 0.596 56.976 56.287 0.156 0.000 0.950 161 K CB -0.227 32.468 32.500 0.326 0.000 0.781 161 K HN 0.280 nan 8.250 nan 0.000 0.486 162 L N 1.814 123.110 121.223 0.122 0.000 2.357 162 L HA 0.230 4.570 4.340 -0.000 0.000 0.273 162 L C -2.190 174.632 176.870 -0.081 0.000 1.080 162 L CA -2.209 52.682 54.840 0.086 0.000 0.803 162 L CB 0.835 42.964 42.059 0.118 0.000 1.174 162 L HN -0.224 nan 8.230 nan 0.000 0.443 163 P HA -0.009 nan 4.420 nan 0.000 0.276 163 P C 0.911 178.117 177.300 -0.157 0.000 1.253 163 P CA -0.367 62.560 63.100 -0.288 0.000 0.766 163 P CB 0.881 32.260 31.700 -0.535 0.000 0.845 164 V N 2.088 121.934 119.914 -0.112 0.000 2.527 164 V HA -0.305 3.815 4.120 -0.000 0.000 0.255 164 V C 1.767 177.818 176.094 -0.071 0.000 1.081 164 V CA 2.630 64.884 62.300 -0.076 0.000 1.092 164 V CB -2.175 29.610 31.823 -0.064 0.000 0.673 164 V HN 0.628 nan 8.190 nan 0.000 0.470 165 T N -1.146 113.355 114.554 -0.088 0.000 2.737 165 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 165 T C 1.914 176.583 174.700 -0.051 0.000 1.038 165 T CA 1.852 63.913 62.100 -0.066 0.000 1.144 165 T CB -0.581 68.242 68.868 -0.075 0.000 0.866 165 T HN 0.510 nan 8.240 nan 0.000 0.434 166 I N 0.504 121.037 120.570 -0.061 0.000 2.202 166 I HA -0.030 4.140 4.170 -0.000 0.000 0.242 166 I C 2.571 178.672 176.117 -0.027 0.000 1.091 166 I CA 0.777 62.064 61.300 -0.023 0.000 1.368 166 I CB -0.593 37.426 38.000 0.033 0.000 1.058 166 I HN 0.193 nan 8.210 nan 0.000 0.410 167 L N 1.239 122.443 121.223 -0.033 0.000 1.963 167 L HA -0.337 4.003 4.340 -0.000 0.000 0.220 167 L C 2.958 179.793 176.870 -0.058 0.000 1.076 167 L CA 2.561 57.377 54.840 -0.040 0.000 0.772 167 L CB -0.744 41.291 42.059 -0.041 0.000 0.892 167 L HN 0.384 nan 8.230 nan 0.000 0.435 168 S N -1.083 114.586 115.700 -0.052 0.000 2.407 168 S HA -0.317 4.153 4.470 -0.000 0.000 0.235 168 S C 2.183 176.756 174.600 -0.045 0.000 1.036 168 S CA 1.698 59.868 58.200 -0.051 0.000 1.013 168 S CB -0.430 62.748 63.200 -0.037 0.000 0.820 168 S HN 0.407 nan 8.310 nan 0.000 0.476 169 R N 0.284 120.770 120.500 -0.023 0.000 2.189 169 R HA 0.208 4.548 4.340 -0.000 0.000 0.218 169 R C 0.647 176.923 176.300 -0.040 0.000 1.074 169 R CA 0.820 56.931 56.100 0.019 0.000 0.991 169 R CB -0.654 29.680 30.300 0.056 0.000 0.883 169 R HN 0.543 nan 8.270 nan 0.000 0.457 170 C N 0.125 119.356 119.300 -0.114 0.000 2.382 170 C HA 0.423 4.883 4.460 -0.000 0.000 0.363 170 C C -0.029 174.763 174.990 -0.330 0.000 1.213 170 C CA -1.565 57.332 59.018 -0.202 0.000 2.363 170 C CB 0.491 28.147 27.740 -0.140 0.000 2.397 170 C HN 0.228 nan 8.230 nan 0.000 0.573 171 L N 2.476 123.441 121.223 -0.429 0.000 2.260 171 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 171 L C -0.075 176.581 176.870 -0.358 0.000 1.057 171 L CA 0.572 55.142 54.840 -0.450 0.000 0.811 171 L CB 0.149 41.974 42.059 -0.391 0.000 1.184 171 L HN 0.698 nan 8.230 nan 0.000 0.429 172 Q N 4.651 124.217 119.800 -0.390 0.000 2.278 172 Q HA 0.382 4.721 4.340 -0.000 0.000 0.257 172 Q C -1.594 174.177 176.000 -0.382 0.000 0.928 172 Q CA -0.212 55.431 55.803 -0.266 0.000 0.932 172 Q CB 1.377 30.034 28.738 -0.136 0.000 1.221 172 Q HN 0.549 nan 8.270 nan 0.000 0.434 173 F N 1.623 121.651 119.950 0.130 0.000 2.500 173 F HA 0.208 4.735 4.527 -0.000 0.000 0.349 173 F C 0.034 176.001 175.800 0.280 0.000 1.127 173 F CA -0.832 57.302 58.000 0.225 0.000 0.998 173 F CB 0.972 40.171 39.000 0.333 0.000 1.237 173 F HN 0.554 nan 8.300 nan 0.000 0.439 174 H N 2.726 121.984 119.070 0.314 0.000 2.562 174 H HA 0.613 5.168 4.556 -0.000 0.000 0.352 174 H C -1.239 174.231 175.328 0.237 0.000 1.125 174 H CA -0.205 55.985 56.048 0.237 0.000 1.379 174 H CB 1.051 30.918 29.762 0.176 0.000 1.464 174 H HN 0.449 nan 8.280 nan 0.000 0.563 175 L N 4.770 125.747 121.223 -0.410 0.000 2.318 175 L HA 0.304 4.644 4.340 -0.000 0.000 0.277 175 L C -0.316 176.398 176.870 -0.260 0.000 1.008 175 L CA -0.344 54.353 54.840 -0.237 0.000 0.846 175 L CB 1.025 42.958 42.059 -0.211 0.000 1.220 175 L HN 0.641 nan 8.230 nan 0.000 0.423 176 K N 2.085 122.477 120.400 -0.014 0.000 2.295 176 K HA 0.566 4.886 4.320 -0.000 0.000 0.270 176 K C 0.192 176.787 176.600 -0.008 0.000 1.011 176 K CA -0.392 55.915 56.287 0.033 0.000 0.953 176 K CB 0.811 33.372 32.500 0.101 0.000 0.956 176 K HN 0.672 nan 8.250 nan 0.000 0.477 177 A N 3.120 125.940 122.820 0.000 0.000 2.445 177 A HA 0.145 4.465 4.320 -0.000 0.000 0.242 177 A C -0.051 177.527 177.584 -0.010 0.000 1.075 177 A CA -0.383 51.648 52.037 -0.010 0.000 0.777 177 A CB -0.001 19.000 19.000 0.001 0.000 1.013 177 A HN 0.661 nan 8.150 nan 0.000 0.493 178 L N 2.587 123.797 121.223 -0.021 0.000 2.360 178 L HA 0.125 4.465 4.340 -0.000 0.000 0.276 178 L C 0.131 176.990 176.870 -0.019 0.000 1.121 178 L CA -0.503 54.322 54.840 -0.025 0.000 0.845 178 L CB 0.358 42.395 42.059 -0.037 0.000 1.143 178 L HN 0.656 nan 8.230 nan 0.000 0.452 179 D N 1.869 122.259 120.400 -0.017 0.000 2.390 179 D HA -0.014 4.626 4.640 -0.000 0.000 0.236 179 D C 1.161 177.451 176.300 -0.016 0.000 1.189 179 D CA -0.132 53.860 54.000 -0.014 0.000 0.887 179 D CB 1.385 42.177 40.800 -0.013 0.000 1.198 179 D HN 0.172 nan 8.370 nan 0.000 0.444 180 V N 1.565 121.471 119.914 -0.013 0.000 2.214 180 V HA -0.290 3.829 4.120 -0.000 0.000 0.245 180 V C 2.334 178.423 176.094 -0.008 0.000 1.047 180 V CA 2.234 64.527 62.300 -0.013 0.000 0.998 180 V CB -0.614 31.201 31.823 -0.013 0.000 0.633 180 V HN 0.631 nan 8.190 nan 0.000 0.446 181 E N 0.319 120.519 120.200 0.000 0.000 2.132 181 E HA -0.347 4.002 4.350 -0.000 0.000 0.218 181 E C 2.126 178.738 176.600 0.021 0.000 1.058 181 E CA 2.538 58.949 56.400 0.018 0.000 0.882 181 E CB -0.573 29.142 29.700 0.024 0.000 0.774 181 E HN 0.655 nan 8.360 nan 0.000 0.467 182 Q N -0.318 119.476 119.800 -0.010 0.000 2.028 182 Q HA -0.250 4.090 4.340 -0.000 0.000 0.213 182 Q C 2.470 178.451 176.000 -0.030 0.000 1.017 182 Q CA 2.557 58.336 55.803 -0.041 0.000 0.875 182 Q CB -0.473 28.233 28.738 -0.054 0.000 0.962 182 Q HN 0.468 nan 8.270 nan 0.000 0.413 183 I N 0.208 120.761 120.570 -0.029 0.000 2.179 183 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 183 I C 2.713 178.811 176.117 -0.032 0.000 1.088 183 I CA 1.149 62.427 61.300 -0.036 0.000 1.357 183 I CB -0.520 37.461 38.000 -0.033 0.000 1.051 183 I HN 0.277 nan 8.210 nan 0.000 0.409 184 R N 0.932 121.421 120.500 -0.018 0.000 2.081 184 R HA -0.269 4.071 4.340 -0.000 0.000 0.235 184 R C 2.311 178.599 176.300 -0.020 0.000 1.131 184 R CA 1.975 58.057 56.100 -0.030 0.000 0.960 184 R CB -1.165 29.121 30.300 -0.023 0.000 0.856 184 R HN 0.445 nan 8.270 nan 0.000 0.436 185 H N 0.467 119.483 119.070 -0.089 0.000 2.456 185 H HA -0.029 4.526 4.556 -0.000 0.000 0.296 185 H C 1.636 176.891 175.328 -0.122 0.000 1.079 185 H CA 1.361 57.351 56.048 -0.096 0.000 1.322 185 H CB 0.348 30.059 29.762 -0.085 0.000 1.388 185 H HN 0.268 nan 8.280 nan 0.000 0.538 186 Q N 0.407 120.256 119.800 0.082 0.000 2.033 186 Q HA -0.036 4.304 4.340 -0.000 0.000 0.196 186 Q C 2.910 178.827 176.000 -0.137 0.000 0.970 186 Q CA 0.568 56.356 55.803 -0.026 0.000 0.828 186 Q CB -0.124 28.553 28.738 -0.101 0.000 0.895 186 Q HN 0.473 nan 8.270 nan 0.000 0.440 187 L N 0.760 121.893 121.223 -0.151 0.000 2.034 187 L HA -0.281 4.059 4.340 -0.000 0.000 0.217 187 L C 2.455 179.171 176.870 -0.256 0.000 1.077 187 L CA 1.673 56.393 54.840 -0.200 0.000 0.769 187 L CB -0.617 41.352 42.059 -0.150 0.000 0.890 187 L HN 0.342 nan 8.230 nan 0.000 0.435 188 E N -0.479 119.567 120.200 -0.257 0.000 2.007 188 E HA -0.320 4.030 4.350 -0.000 0.000 0.203 188 E C 2.164 178.619 176.600 -0.242 0.000 1.020 188 E CA 1.732 57.921 56.400 -0.352 0.000 0.845 188 E CB -0.238 29.268 29.700 -0.323 0.000 0.779 188 E HN 0.457 nan 8.360 nan 0.000 0.466 189 H N 0.250 119.161 119.070 -0.266 0.000 2.260 189 H HA -0.224 4.332 4.556 -0.000 0.000 0.288 189 H C 2.211 177.346 175.328 -0.321 0.000 1.094 189 H CA 2.126 58.036 56.048 -0.231 0.000 1.197 189 H CB -0.132 29.513 29.762 -0.195 0.000 1.346 189 H HN 0.179 nan 8.280 nan 0.000 0.486 190 I N 1.094 121.363 120.570 -0.502 0.000 2.109 190 I HA -0.376 3.794 4.170 -0.000 0.000 0.233 190 I C 3.053 179.020 176.117 -0.251 0.000 1.005 190 I CA 1.417 62.230 61.300 -0.812 0.000 1.294 190 I CB -1.505 36.014 38.000 -0.802 0.000 1.005 190 I HN 0.388 nan 8.210 nan 0.000 0.392 191 L N 0.285 121.403 121.223 -0.175 0.000 2.103 191 L HA -0.294 4.046 4.340 -0.000 0.000 0.215 191 L C 2.373 179.255 176.870 0.019 0.000 1.080 191 L CA 1.491 56.313 54.840 -0.030 0.000 0.764 191 L CB -0.741 41.266 42.059 -0.087 0.000 0.890 191 L HN 0.431 nan 8.230 nan 0.000 0.435 192 N N -0.253 118.410 118.700 -0.063 0.000 2.047 192 N HA -0.181 4.559 4.740 -0.000 0.000 0.193 192 N C 1.796 177.193 175.510 -0.187 0.000 1.055 192 N CA 1.135 54.142 53.050 -0.073 0.000 0.847 192 N CB -0.242 38.203 38.487 -0.070 0.000 1.038 192 N HN 0.179 nan 8.380 nan 0.000 0.427 193 E N 1.108 121.184 120.200 -0.207 0.000 2.253 193 E HA -0.197 4.153 4.350 -0.000 0.000 0.202 193 E C 1.202 177.809 176.600 0.011 0.000 1.014 193 E CA 1.046 57.374 56.400 -0.119 0.000 0.823 193 E CB -0.156 29.518 29.700 -0.043 0.000 0.736 193 E HN 0.334 nan 8.360 nan 0.000 0.478 194 E N -1.135 119.132 120.200 0.112 0.000 2.479 194 E HA -0.026 4.323 4.350 -0.000 0.000 0.193 194 E C -0.422 176.274 176.600 0.160 0.000 1.049 194 E CA 0.052 56.550 56.400 0.162 0.000 0.870 194 E CB -0.003 29.847 29.700 0.250 0.000 0.944 194 E HN 0.243 nan 8.360 nan 0.000 0.492 195 H N -0.812 118.305 119.070 0.077 0.000 2.791 195 H HA -0.198 4.358 4.556 -0.000 0.000 0.302 195 H C -0.357 175.005 175.328 0.056 0.000 1.198 195 H CA 1.169 57.250 56.048 0.054 0.000 1.145 195 H CB -1.867 27.915 29.762 0.033 0.000 1.385 195 H HN 0.282 nan 8.280 nan 0.000 0.409 196 I N -0.296 120.367 120.570 0.154 0.000 2.793 196 I HA 0.500 4.670 4.170 -0.000 0.000 0.313 196 I C 1.130 177.316 176.117 0.115 0.000 0.998 196 I CA -0.642 60.736 61.300 0.131 0.000 1.140 196 I CB 1.435 39.510 38.000 0.126 0.000 1.327 196 I HN 0.194 nan 8.210 nan 0.000 0.491 197 A N 3.658 126.518 122.820 0.067 0.000 2.354 197 A HA 0.513 4.833 4.320 -0.000 0.000 0.269 197 A C -0.438 177.183 177.584 0.063 0.000 1.109 197 A CA -0.022 52.013 52.037 -0.002 0.000 0.800 197 A CB 0.066 19.062 19.000 -0.007 0.000 1.045 197 A HN 0.939 nan 8.150 nan 0.000 0.489 198 H N -0.118 118.953 119.070 0.001 0.000 3.068 198 H HA 0.568 5.124 4.556 -0.000 0.000 0.342 198 H C -1.660 173.662 175.328 -0.010 0.000 1.284 198 H CA -0.747 55.297 56.048 -0.007 0.000 1.181 198 H CB 0.961 30.714 29.762 -0.015 0.000 1.898 198 H HN 0.604 nan 8.280 nan 0.000 0.540 199 E N 2.288 122.585 120.200 0.161 0.000 2.238 199 E HA 0.235 4.585 4.350 -0.000 0.000 0.267 199 E C -2.047 174.625 176.600 0.119 0.000 0.887 199 E CA -2.181 54.277 56.400 0.096 0.000 0.769 199 E CB 2.788 32.514 29.700 0.042 0.000 1.187 199 E HN 0.325 nan 8.360 nan 0.000 0.416 200 P HA -0.293 nan 4.420 nan 0.000 0.214 200 P C 1.242 178.559 177.300 0.028 0.000 1.164 200 P CA 1.403 64.536 63.100 0.054 0.000 0.942 200 P CB 0.204 31.925 31.700 0.035 0.000 0.791 201 R N -0.190 120.323 120.500 0.022 0.000 2.143 201 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 201 R C 2.216 178.521 176.300 0.009 0.000 1.126 201 R CA 2.466 58.573 56.100 0.012 0.000 0.927 201 R CB -1.641 28.665 30.300 0.010 0.000 0.860 201 R HN 0.121 nan 8.270 nan 0.000 0.433 202 A N 0.254 123.083 122.820 0.016 0.000 1.971 202 A HA -0.219 4.101 4.320 -0.000 0.000 0.222 202 A C 2.313 179.896 177.584 -0.001 0.000 1.182 202 A CA 2.048 54.092 52.037 0.012 0.000 0.649 202 A CB -0.792 18.224 19.000 0.027 0.000 0.818 202 A HN 0.410 nan 8.150 nan 0.000 0.458 203 L N -1.432 119.786 121.223 -0.007 0.000 2.109 203 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 203 L C 2.923 179.775 176.870 -0.031 0.000 1.086 203 L CA 1.032 55.848 54.840 -0.040 0.000 0.760 203 L CB -0.682 41.331 42.059 -0.078 0.000 0.910 203 L HN 0.438 nan 8.230 nan 0.000 0.437 204 Q N 0.380 120.170 119.800 -0.017 0.000 1.993 204 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 204 Q C 2.405 178.397 176.000 -0.013 0.000 0.984 204 Q CA 1.555 57.350 55.803 -0.013 0.000 0.837 204 Q CB -0.543 28.192 28.738 -0.005 0.000 0.902 204 Q HN 0.495 nan 8.270 nan 0.000 0.423 205 L N 0.428 121.646 121.223 -0.009 0.000 2.013 205 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 205 L C 2.629 179.493 176.870 -0.011 0.000 1.073 205 L CA 1.120 55.955 54.840 -0.009 0.000 0.753 205 L CB -0.743 41.312 42.059 -0.006 0.000 0.890 205 L HN 0.209 nan 8.230 nan 0.000 0.432 206 L N -0.486 120.729 121.223 -0.013 0.000 1.970 206 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 206 L C 2.932 179.791 176.870 -0.018 0.000 1.071 206 L CA 1.458 56.289 54.840 -0.015 0.000 0.751 206 L CB -0.718 41.329 42.059 -0.020 0.000 0.889 206 L HN 0.305 nan 8.230 nan 0.000 0.432 207 A N 0.171 122.977 122.820 -0.023 0.000 1.849 207 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 207 A C 2.274 179.849 177.584 -0.016 0.000 1.202 207 A CA 2.091 54.114 52.037 -0.022 0.000 0.629 207 A CB -0.755 18.231 19.000 -0.023 0.000 0.834 207 A HN 0.355 nan 8.150 nan 0.000 0.447 208 R N -0.530 119.961 120.500 -0.014 0.000 2.154 208 R HA -0.187 4.153 4.340 -0.000 0.000 0.248 208 R C 2.374 178.668 176.300 -0.009 0.000 1.155 208 R CA 1.206 57.299 56.100 -0.011 0.000 0.979 208 R CB -0.578 29.716 30.300 -0.011 0.000 0.869 208 R HN 0.587 nan 8.270 nan 0.000 0.452 209 A N 1.727 124.542 122.820 -0.008 0.000 1.828 209 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 209 A C 1.459 179.040 177.584 -0.004 0.000 1.203 209 A CA 1.235 53.269 52.037 -0.006 0.000 0.614 209 A CB -0.702 18.295 19.000 -0.005 0.000 0.844 209 A HN 0.364 nan 8.150 nan 0.000 0.445 210 A N 1.214 124.031 122.820 -0.006 0.000 2.752 210 A HA 0.322 4.642 4.320 -0.000 0.000 0.292 210 A C -0.117 177.464 177.584 -0.006 0.000 1.597 210 A CA -0.155 51.879 52.037 -0.005 0.000 1.241 210 A CB -1.050 17.945 19.000 -0.008 0.000 1.061 210 A HN 0.572 nan 8.150 nan 0.000 0.576 211 E N 1.409 121.608 120.200 -0.002 0.000 2.905 211 E HA 0.121 4.470 4.350 -0.000 0.000 0.240 211 E C 1.476 178.074 176.600 -0.003 0.000 0.990 211 E CA 0.825 57.224 56.400 -0.001 0.000 0.954 211 E CB 0.084 29.786 29.700 0.004 0.000 0.908 211 E HN 0.966 nan 8.360 nan 0.000 0.532 212 G N 3.576 112.372 108.800 -0.007 0.000 2.327 212 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.297 212 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.297 212 G C 0.333 175.224 174.900 -0.016 0.000 0.994 212 G CA 1.064 46.158 45.100 -0.010 0.000 0.735 212 G HN 0.528 nan 8.290 nan 0.000 0.518 213 S N -1.239 114.452 115.700 -0.014 0.000 2.451 213 S HA 0.600 5.069 4.470 -0.000 0.000 0.301 213 S C 0.936 175.524 174.600 -0.020 0.000 1.116 213 S CA -0.439 57.751 58.200 -0.017 0.000 1.093 213 S CB 1.669 64.863 63.200 -0.009 0.000 1.017 213 S HN 0.537 nan 8.310 nan 0.000 0.482 214 L N 4.950 126.157 121.223 -0.026 0.000 2.375 214 L HA 0.390 4.730 4.340 -0.000 0.000 0.215 214 L C 2.415 179.276 176.870 -0.016 0.000 1.108 214 L CA 1.072 55.894 54.840 -0.029 0.000 0.830 214 L CB -0.417 41.618 42.059 -0.040 0.000 0.959 214 L HN 0.868 nan 8.230 nan 0.000 0.457 215 R N -0.843 119.652 120.500 -0.008 0.000 2.093 215 R HA -0.090 4.250 4.340 -0.000 0.000 0.224 215 R C 1.435 177.741 176.300 0.009 0.000 1.101 215 R CA 1.484 57.588 56.100 0.006 0.000 0.979 215 R CB -0.145 30.158 30.300 0.005 0.000 0.877 215 R HN 0.327 nan 8.270 nan 0.000 0.441 216 D N 0.615 121.017 120.400 0.003 0.000 2.194 216 D HA -0.047 4.593 4.640 -0.000 0.000 0.204 216 D C 1.739 178.041 176.300 0.003 0.000 0.964 216 D CA 1.196 55.200 54.000 0.006 0.000 0.846 216 D CB -0.012 40.790 40.800 0.004 0.000 0.962 216 D HN 0.369 nan 8.370 nan 0.000 0.490 217 A N 0.861 123.679 122.820 -0.004 0.000 1.940 217 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 217 A C 2.318 179.897 177.584 -0.008 0.000 1.176 217 A CA 0.936 52.966 52.037 -0.011 0.000 0.631 217 A CB -0.556 18.430 19.000 -0.024 0.000 0.814 217 A HN 0.166 nan 8.150 nan 0.000 0.446 218 L N -0.930 120.295 121.223 0.004 0.000 2.062 218 L HA -0.095 4.245 4.340 -0.000 0.000 0.202 218 L C 2.943 179.835 176.870 0.036 0.000 1.079 218 L CA 1.319 56.174 54.840 0.024 0.000 0.755 218 L CB -0.558 41.535 42.059 0.057 0.000 0.913 218 L HN 0.530 nan 8.230 nan 0.000 0.445 219 S N 0.126 115.848 115.700 0.036 0.000 2.441 219 S HA -0.222 4.248 4.470 -0.000 0.000 0.242 219 S C 1.906 176.520 174.600 0.025 0.000 1.018 219 S CA 1.319 59.538 58.200 0.033 0.000 0.988 219 S CB -0.370 62.846 63.200 0.027 0.000 0.778 219 S HN 0.352 nan 8.310 nan 0.000 0.498 220 L N 0.323 121.557 121.223 0.018 0.000 2.209 220 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 220 L C 2.742 179.621 176.870 0.014 0.000 1.094 220 L CA 1.328 56.175 54.840 0.013 0.000 0.790 220 L CB -0.607 41.455 42.059 0.006 0.000 0.932 220 L HN 0.358 nan 8.230 nan 0.000 0.447 221 T N -1.170 113.394 114.554 0.017 0.000 2.821 221 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 221 T C 1.417 176.136 174.700 0.033 0.000 1.046 221 T CA 1.063 63.175 62.100 0.020 0.000 1.139 221 T CB -0.121 68.758 68.868 0.019 0.000 0.871 221 T HN 0.295 nan 8.240 nan 0.000 0.454 222 D N 0.830 121.253 120.400 0.039 0.000 2.078 222 D HA -0.099 4.541 4.640 -0.000 0.000 0.193 222 D C 2.322 178.640 176.300 0.029 0.000 0.990 222 D CA 1.213 55.237 54.000 0.040 0.000 0.827 222 D CB -0.229 40.596 40.800 0.042 0.000 0.975 222 D HN 0.186 nan 8.370 nan 0.000 0.451 223 Q N 0.748 120.562 119.800 0.023 0.000 2.152 223 Q HA -0.118 4.221 4.340 -0.000 0.000 0.206 223 Q C 1.798 177.808 176.000 0.016 0.000 0.985 223 Q CA 1.841 57.654 55.803 0.017 0.000 0.863 223 Q CB -0.495 28.252 28.738 0.014 0.000 0.904 223 Q HN 0.248 nan 8.270 nan 0.000 0.422 224 A N -0.430 122.400 122.820 0.017 0.000 1.969 224 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 224 A C 2.016 179.612 177.584 0.021 0.000 1.169 224 A CA 1.149 53.195 52.037 0.016 0.000 0.635 224 A CB -0.496 18.513 19.000 0.015 0.000 0.810 224 A HN 0.443 nan 8.150 nan 0.000 0.445 225 I N -0.476 120.110 120.570 0.027 0.000 2.233 225 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 225 I C 3.001 179.133 176.117 0.023 0.000 1.093 225 I CA 0.968 62.286 61.300 0.030 0.000 1.380 225 I CB -0.616 37.407 38.000 0.039 0.000 1.067 225 I HN 0.340 nan 8.210 nan 0.000 0.413 226 A N 0.397 123.230 122.820 0.021 0.000 1.917 226 A HA -0.277 4.042 4.320 -0.000 0.000 0.219 226 A C 2.476 180.068 177.584 0.013 0.000 1.182 226 A CA 2.456 54.503 52.037 0.016 0.000 0.633 226 A CB -0.876 18.133 19.000 0.015 0.000 0.819 226 A HN 0.441 nan 8.150 nan 0.000 0.448 227 S N -0.829 114.878 115.700 0.012 0.000 2.436 227 S HA 0.107 4.577 4.470 -0.000 0.000 0.215 227 S C 1.501 176.106 174.600 0.008 0.000 1.047 227 S CA 1.497 59.702 58.200 0.008 0.000 1.086 227 S CB -1.100 62.105 63.200 0.007 0.000 1.072 227 S HN 0.846 nan 8.310 nan 0.000 0.411 228 G N 1.366 110.172 108.800 0.009 0.000 2.441 228 G HA2 0.242 4.202 3.960 -0.000 0.000 0.258 228 G HA3 0.242 4.202 3.960 -0.000 0.000 0.258 228 G C -0.495 174.411 174.900 0.010 0.000 1.487 228 G CA -0.029 45.076 45.100 0.008 0.000 1.058 228 G HN 0.664 nan 8.290 nan 0.000 0.552 229 D N -0.297 120.109 120.400 0.010 0.000 2.377 229 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 229 D C 0.903 177.213 176.300 0.017 0.000 1.196 229 D CA -0.018 53.989 54.000 0.011 0.000 0.962 229 D CB 0.243 41.048 40.800 0.009 0.000 1.127 229 D HN 0.461 nan 8.370 nan 0.000 0.471 230 G N 0.217 109.029 108.800 0.019 0.000 2.686 230 G HA2 0.019 3.979 3.960 -0.000 0.000 0.280 230 G HA3 0.019 3.979 3.960 -0.000 0.000 0.280 230 G C -0.007 174.912 174.900 0.032 0.000 0.666 230 G CA 0.203 45.319 45.100 0.027 0.000 2.114 230 G HN 0.317 nan 8.290 nan 0.000 0.553 231 Q N 0.647 120.466 119.800 0.031 0.000 2.567 231 Q HA 0.147 4.487 4.340 -0.000 0.000 0.233 231 Q C -0.791 175.232 176.000 0.039 0.000 0.833 231 Q CA -0.588 55.235 55.803 0.034 0.000 0.844 231 Q CB 2.346 31.097 28.738 0.021 0.000 1.423 231 Q HN 0.164 nan 8.270 nan 0.000 0.442 232 V N 2.729 122.677 119.914 0.057 0.000 2.359 232 V HA 0.138 4.257 4.120 -0.000 0.000 0.248 232 V C 0.350 176.479 176.094 0.060 0.000 1.091 232 V CA 0.307 62.640 62.300 0.056 0.000 1.103 232 V CB -0.143 31.720 31.823 0.068 0.000 1.176 232 V HN 0.625 nan 8.190 nan 0.000 0.488 233 S N 2.716 118.438 115.700 0.037 0.000 2.634 233 S HA 0.398 4.868 4.470 -0.000 0.000 0.296 233 S C 1.132 175.744 174.600 0.019 0.000 1.104 233 S CA 0.056 58.273 58.200 0.029 0.000 0.920 233 S CB 2.039 65.250 63.200 0.017 0.000 1.111 233 S HN 0.535 nan 8.310 nan 0.000 0.493 234 T N 1.903 116.466 114.554 0.016 0.000 2.624 234 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 234 T C 1.831 176.533 174.700 0.003 0.000 1.041 234 T CA 2.217 64.322 62.100 0.008 0.000 1.159 234 T CB -0.794 68.077 68.868 0.006 0.000 0.863 234 T HN 0.772 nan 8.240 nan 0.000 0.434 235 Q N 1.323 121.124 119.800 0.002 0.000 1.948 235 Q HA -0.208 4.131 4.340 -0.000 0.000 0.205 235 Q C 2.582 178.582 176.000 -0.000 0.000 0.992 235 Q CA 1.959 57.761 55.803 -0.002 0.000 0.849 235 Q CB -0.583 28.154 28.738 -0.002 0.000 0.918 235 Q HN 0.468 nan 8.270 nan 0.000 0.421 236 A N 0.489 123.311 122.820 0.004 0.000 1.906 236 A HA -0.280 4.039 4.320 -0.000 0.000 0.222 236 A C 2.301 179.888 177.584 0.005 0.000 1.282 236 A CA 2.608 54.649 52.037 0.006 0.000 0.675 236 A CB -1.400 17.607 19.000 0.012 0.000 0.838 236 A HN 0.381 nan 8.150 nan 0.000 0.469 237 V N 0.608 120.526 119.914 0.006 0.000 2.216 237 V HA -0.265 3.855 4.120 -0.000 0.000 0.242 237 V C 2.900 178.993 176.094 -0.002 0.000 1.042 237 V CA 2.653 64.955 62.300 0.003 0.000 0.991 237 V CB -1.222 30.603 31.823 0.004 0.000 0.633 237 V HN 0.877 nan 8.190 nan 0.000 0.449 238 S N 1.295 116.992 115.700 -0.005 0.000 2.461 238 S HA -0.214 4.256 4.470 -0.000 0.000 0.246 238 S C 1.837 176.430 174.600 -0.012 0.000 1.007 238 S CA 1.405 59.599 58.200 -0.010 0.000 0.976 238 S CB -0.730 62.462 63.200 -0.013 0.000 0.763 238 S HN 0.659 nan 8.310 nan 0.000 0.508 239 A N 1.042 123.857 122.820 -0.009 0.000 2.168 239 A HA 0.279 4.598 4.320 -0.000 0.000 0.215 239 A C 2.092 179.671 177.584 -0.008 0.000 1.152 239 A CA 1.039 53.070 52.037 -0.009 0.000 0.716 239 A CB -0.568 18.429 19.000 -0.006 0.000 0.794 239 A HN 0.659 nan 8.150 nan 0.000 0.465 240 M N -1.064 118.533 119.600 -0.006 0.000 2.557 240 M HA 0.183 4.662 4.480 -0.000 0.000 0.262 240 M C 1.457 177.753 176.300 -0.007 0.000 1.168 240 M CA 0.843 56.141 55.300 -0.004 0.000 1.194 240 M CB -0.255 32.345 32.600 -0.000 0.000 1.311 240 M HN 0.249 nan 8.290 nan 0.000 0.489 241 L N 0.115 121.333 121.223 -0.009 0.000 2.554 241 L HA 0.297 4.637 4.340 -0.000 0.000 0.226 241 L C 1.380 178.239 176.870 -0.018 0.000 1.137 241 L CA 0.361 55.194 54.840 -0.011 0.000 0.863 241 L CB -1.028 41.025 42.059 -0.010 0.000 0.985 241 L HN 0.641 nan 8.230 nan 0.000 0.451 242 G N 0.488 109.276 108.800 -0.020 0.000 2.180 242 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.263 242 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.263 242 G C 0.456 175.333 174.900 -0.038 0.000 0.989 242 G CA 0.620 45.703 45.100 -0.029 0.000 0.692 242 G HN 0.350 nan 8.290 nan 0.000 0.526 243 T N 0.466 115.000 114.554 -0.032 0.000 2.856 243 T HA 0.224 4.574 4.350 -0.000 0.000 0.329 243 T C 2.204 176.878 174.700 -0.042 0.000 1.094 243 T CA 0.427 62.505 62.100 -0.036 0.000 1.112 243 T CB 0.648 69.501 68.868 -0.025 0.000 1.009 243 T HN 0.233 nan 8.240 nan 0.000 0.550 244 L N 0.958 122.151 121.223 -0.051 0.000 1.956 244 L HA -0.129 4.211 4.340 -0.000 0.000 0.216 244 L C 1.548 178.395 176.870 -0.038 0.000 1.073 244 L CA 1.678 56.486 54.840 -0.054 0.000 0.762 244 L CB -0.651 41.373 42.059 -0.058 0.000 0.889 244 L HN 0.889 nan 8.230 nan 0.000 0.433 245 D N -0.373 120.010 120.400 -0.028 0.000 2.760 245 D HA -0.186 4.454 4.640 -0.000 0.000 0.244 245 D C -0.680 175.608 176.300 -0.020 0.000 1.123 245 D CA 0.530 54.518 54.000 -0.020 0.000 0.719 245 D CB -0.666 40.123 40.800 -0.017 0.000 1.045 245 D HN 0.358 nan 8.370 nan 0.000 0.426 246 D N -0.115 120.273 120.400 -0.021 0.000 2.803 246 D HA 0.112 4.752 4.640 -0.000 0.000 0.218 246 D C 0.165 176.456 176.300 -0.015 0.000 1.245 246 D CA -0.270 53.718 54.000 -0.019 0.000 0.821 246 D CB 1.062 41.847 40.800 -0.025 0.000 1.626 246 D HN 0.135 nan 8.370 nan 0.000 0.487 247 D N 2.292 122.685 120.400 -0.011 0.000 2.368 247 D HA -0.168 4.472 4.640 -0.000 0.000 0.250 247 D C 1.063 177.357 176.300 -0.009 0.000 1.142 247 D CA 0.319 54.314 54.000 -0.009 0.000 0.925 247 D CB 0.088 40.884 40.800 -0.007 0.000 0.896 247 D HN 0.580 nan 8.370 nan 0.000 0.525 248 Q N 0.015 119.808 119.800 -0.011 0.000 2.291 248 Q HA -0.091 4.249 4.340 -0.000 0.000 0.205 248 Q C 2.081 178.079 176.000 -0.003 0.000 0.970 248 Q CA 1.093 56.892 55.803 -0.007 0.000 0.876 248 Q CB -0.300 28.432 28.738 -0.011 0.000 0.935 248 Q HN 0.276 nan 8.270 nan 0.000 0.455 249 A N 2.267 125.084 122.820 -0.005 0.000 1.852 249 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 249 A C 2.120 179.701 177.584 -0.005 0.000 1.215 249 A CA 1.833 53.869 52.037 -0.002 0.000 0.641 249 A CB -0.921 18.077 19.000 -0.003 0.000 0.838 249 A HN 0.406 nan 8.150 nan 0.000 0.450 250 L N -0.370 120.848 121.223 -0.008 0.000 2.005 250 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 250 L C 2.480 179.339 176.870 -0.018 0.000 1.072 250 L CA 2.626 57.458 54.840 -0.013 0.000 0.744 250 L CB -1.145 40.909 42.059 -0.008 0.000 0.895 250 L HN 0.344 nan 8.230 nan 0.000 0.433 251 S N -0.946 114.746 115.700 -0.013 0.000 2.444 251 S HA -0.230 4.240 4.470 -0.000 0.000 0.244 251 S C 1.993 176.583 174.600 -0.017 0.000 1.025 251 S CA 1.794 59.986 58.200 -0.014 0.000 0.995 251 S CB -0.417 62.778 63.200 -0.009 0.000 0.781 251 S HN 0.487 nan 8.310 nan 0.000 0.496 252 L N -0.010 121.204 121.223 -0.015 0.000 2.127 252 L HA 0.007 4.347 4.340 -0.000 0.000 0.203 252 L C 2.154 178.998 176.870 -0.043 0.000 1.080 252 L CA 0.590 55.421 54.840 -0.016 0.000 0.768 252 L CB -0.207 41.854 42.059 0.004 0.000 0.924 252 L HN 0.175 nan 8.230 nan 0.000 0.444 253 V N -0.022 119.858 119.914 -0.056 0.000 2.220 253 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 253 V C 2.236 178.259 176.094 -0.117 0.000 1.049 253 V CA 2.073 64.312 62.300 -0.103 0.000 1.003 253 V CB -0.782 30.985 31.823 -0.093 0.000 0.634 253 V HN 0.464 nan 8.190 nan 0.000 0.444 254 E N 0.678 120.831 120.200 -0.078 0.000 2.170 254 E HA -0.403 3.947 4.350 -0.000 0.000 0.229 254 E C 2.272 178.827 176.600 -0.074 0.000 1.074 254 E CA 1.937 58.298 56.400 -0.064 0.000 0.930 254 E CB -0.611 29.067 29.700 -0.038 0.000 0.806 254 E HN 0.604 nan 8.360 nan 0.000 0.478 255 A N 1.734 124.517 122.820 -0.062 0.000 1.859 255 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 255 A C 2.225 179.759 177.584 -0.083 0.000 1.198 255 A CA 2.196 54.198 52.037 -0.058 0.000 0.629 255 A CB -0.802 18.172 19.000 -0.043 0.000 0.830 255 A HN 0.405 nan 8.150 nan 0.000 0.446 256 M N 0.135 119.676 119.600 -0.099 0.000 2.103 256 M HA -0.197 4.283 4.480 -0.000 0.000 0.255 256 M C 1.742 177.953 176.300 -0.147 0.000 1.074 256 M CA 2.679 57.909 55.300 -0.117 0.000 1.090 256 M CB -0.394 32.113 32.600 -0.155 0.000 1.325 256 M HN 0.223 nan 8.290 nan 0.000 0.403 257 V N 0.104 119.897 119.914 -0.203 0.000 3.141 257 V HA -0.148 3.972 4.120 -0.000 0.000 0.265 257 V C 1.561 177.621 176.094 -0.057 0.000 1.126 257 V CA 1.529 63.751 62.300 -0.129 0.000 1.141 257 V CB -0.979 30.747 31.823 -0.162 0.000 0.743 257 V HN 0.534 nan 8.190 nan 0.000 0.492 258 E N 0.256 120.397 120.200 -0.098 0.000 2.452 258 E HA 0.449 4.799 4.350 -0.000 0.000 0.197 258 E C 1.046 177.543 176.600 -0.170 0.000 1.022 258 E CA 0.501 56.852 56.400 -0.082 0.000 0.890 258 E CB 0.340 30.014 29.700 -0.042 0.000 0.918 258 E HN 0.475 nan 8.360 nan 0.000 0.496 259 A N 2.289 124.977 122.820 -0.221 0.000 2.917 259 A HA -0.174 4.146 4.320 -0.000 0.000 0.286 259 A C 0.874 178.393 177.584 -0.109 0.000 1.435 259 A CA 0.673 52.579 52.037 -0.218 0.000 0.737 259 A CB -2.351 16.454 19.000 -0.325 0.000 1.049 259 A HN 0.326 nan 8.150 nan 0.000 0.483 260 N N 0.202 118.854 118.700 -0.081 0.000 2.422 260 N HA 0.105 4.845 4.740 -0.000 0.000 0.181 260 N C 1.914 177.399 175.510 -0.041 0.000 1.080 260 N CA 1.837 54.856 53.050 -0.051 0.000 0.893 260 N CB -0.416 38.046 38.487 -0.041 0.000 0.973 260 N HN 1.541 nan 8.380 nan 0.000 0.456 261 G N 2.065 110.838 108.800 -0.046 0.000 3.567 261 G HA2 -0.522 3.438 3.960 -0.000 0.000 0.379 261 G HA3 -0.522 3.438 3.960 -0.000 0.000 0.379 261 G C 1.109 175.993 174.900 -0.026 0.000 2.015 261 G CA 1.743 46.821 45.100 -0.037 0.000 2.228 261 G HN 0.561 nan 8.290 nan 0.000 0.903 262 E N 0.614 120.800 120.200 -0.022 0.000 2.164 262 E HA -0.264 4.085 4.350 -0.000 0.000 0.206 262 E C 2.350 178.943 176.600 -0.012 0.000 1.032 262 E CA 2.579 58.970 56.400 -0.015 0.000 0.832 262 E CB -0.342 29.351 29.700 -0.013 0.000 0.742 262 E HN 0.717 nan 8.360 nan 0.000 0.460 263 R N -0.553 119.937 120.500 -0.016 0.000 2.055 263 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 263 R C 2.333 178.628 176.300 -0.008 0.000 1.135 263 R CA 1.432 57.525 56.100 -0.012 0.000 0.959 263 R CB -0.553 29.737 30.300 -0.017 0.000 0.854 263 R HN 0.140 nan 8.270 nan 0.000 0.431 264 V N 1.221 121.126 119.914 -0.016 0.000 2.252 264 V HA -0.328 3.791 4.120 -0.000 0.000 0.249 264 V C 2.434 178.529 176.094 0.001 0.000 1.056 264 V CA 2.250 64.543 62.300 -0.012 0.000 1.022 264 V CB -0.569 31.239 31.823 -0.025 0.000 0.641 264 V HN 0.385 nan 8.190 nan 0.000 0.445 265 M N 0.201 119.797 119.600 -0.007 0.000 2.073 265 M HA -0.166 4.313 4.480 -0.000 0.000 0.258 265 M C 2.102 178.411 176.300 0.014 0.000 1.070 265 M CA 2.252 57.550 55.300 -0.003 0.000 1.103 265 M CB -1.013 31.579 32.600 -0.012 0.000 1.321 265 M HN 0.339 nan 8.290 nan 0.000 0.405 266 A N -0.206 122.620 122.820 0.010 0.000 1.842 266 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 266 A C 2.212 179.813 177.584 0.029 0.000 1.206 266 A CA 2.170 54.216 52.037 0.016 0.000 0.630 266 A CB -1.402 17.602 19.000 0.007 0.000 0.839 266 A HN 0.546 nan 8.150 nan 0.000 0.447 267 L N -0.591 120.647 121.223 0.025 0.000 2.151 267 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 267 L C 2.499 179.408 176.870 0.066 0.000 1.084 267 L CA 1.573 56.432 54.840 0.033 0.000 0.764 267 L CB -0.502 41.571 42.059 0.022 0.000 0.891 267 L HN 0.484 nan 8.230 nan 0.000 0.435 268 I N -0.921 119.705 120.570 0.094 0.000 2.235 268 I HA -0.261 3.908 4.170 -0.000 0.000 0.241 268 I C 2.325 178.571 176.117 0.214 0.000 1.085 268 I CA 1.203 62.618 61.300 0.192 0.000 1.378 268 I CB -0.478 37.623 38.000 0.170 0.000 1.076 268 I HN 0.330 nan 8.210 nan 0.000 0.415 269 N N 1.713 120.494 118.700 0.136 0.000 2.037 269 N HA -0.319 4.421 4.740 -0.000 0.000 0.196 269 N C 1.792 177.356 175.510 0.090 0.000 1.034 269 N CA 2.236 55.357 53.050 0.118 0.000 0.861 269 N CB -0.289 38.238 38.487 0.066 0.000 1.039 269 N HN 0.462 nan 8.380 nan 0.000 0.427 270 E N -1.012 119.223 120.200 0.059 0.000 2.333 270 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 270 E C 1.440 178.047 176.600 0.013 0.000 1.007 270 E CA 1.050 57.467 56.400 0.029 0.000 0.845 270 E CB -0.163 29.548 29.700 0.019 0.000 0.766 270 E HN 0.481 nan 8.360 nan 0.000 0.507 271 A N 0.980 123.819 122.820 0.032 0.000 1.956 271 A HA 0.318 4.638 4.320 -0.000 0.000 0.212 271 A C 2.381 179.889 177.584 -0.126 0.000 1.188 271 A CA 0.846 52.859 52.037 -0.041 0.000 0.675 271 A CB -0.411 18.589 19.000 0.000 0.000 0.845 271 A HN 0.379 nan 8.150 nan 0.000 0.455 272 A N 0.523 123.362 122.820 0.033 0.000 1.865 272 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 272 A C 2.510 180.075 177.584 -0.032 0.000 1.191 272 A CA 2.371 54.445 52.037 0.062 0.000 0.623 272 A CB -1.249 17.930 19.000 0.299 0.000 0.826 272 A HN 1.163 nan 8.150 nan 0.000 0.444 273 A N -0.193 122.629 122.820 0.004 0.000 1.958 273 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 273 A C 2.230 179.785 177.584 -0.050 0.000 1.178 273 A CA 1.861 53.890 52.037 -0.012 0.000 0.642 273 A CB -0.558 18.442 19.000 -0.000 0.000 0.816 273 A HN 0.619 nan 8.150 nan 0.000 0.453 274 R N -1.806 118.645 120.500 -0.081 0.000 2.092 274 R HA 0.104 4.444 4.340 -0.000 0.000 0.231 274 R C 1.306 177.531 176.300 -0.125 0.000 1.119 274 R CA 0.824 56.867 56.100 -0.095 0.000 0.970 274 R CB -0.302 29.934 30.300 -0.106 0.000 0.864 274 R HN 0.892 nan 8.270 nan 0.000 0.440 275 G N 0.948 109.632 108.800 -0.192 0.000 2.237 275 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.153 275 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.153 275 G C 0.188 174.887 174.900 -0.336 0.000 1.039 275 G CA -0.595 44.371 45.100 -0.223 0.000 0.719 275 G HN 0.072 nan 8.290 nan 0.000 0.491 276 I N 0.387 120.647 120.570 -0.516 0.000 3.366 276 I HA -0.014 4.156 4.170 -0.000 0.000 0.283 276 I C 1.179 176.960 176.117 -0.560 0.000 1.290 276 I CA 0.727 61.688 61.300 -0.565 0.000 1.353 276 I CB 0.392 37.934 38.000 -0.764 0.000 1.343 276 I HN 0.289 nan 8.210 nan 0.000 0.607 277 E N 3.114 123.119 120.200 -0.326 0.000 2.336 277 E HA 0.012 4.361 4.350 -0.000 0.000 0.214 277 E C 0.691 177.294 176.600 0.004 0.000 1.144 277 E CA -0.237 56.072 56.400 -0.151 0.000 1.294 277 E CB -0.260 29.398 29.700 -0.070 0.000 1.263 277 E HN 0.701 nan 8.360 nan 0.000 0.439 278 W N 2.030 123.325 121.300 -0.007 0.000 1.965 278 W HA -0.464 4.196 4.660 -0.000 0.000 0.349 278 W C 2.127 178.639 176.519 -0.012 0.000 1.736 278 W CA 2.006 59.346 57.345 -0.008 0.000 1.990 278 W CB -0.783 28.675 29.460 -0.004 0.000 0.932 278 W HN 0.374 nan 8.180 nan 0.000 0.464 279 E N 0.111 120.457 120.200 0.244 0.000 2.051 279 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 279 E C 2.252 178.904 176.600 0.086 0.000 0.991 279 E CA 1.685 58.160 56.400 0.126 0.000 0.799 279 E CB -0.508 29.246 29.700 0.090 0.000 0.748 279 E HN 0.277 nan 8.360 nan 0.000 0.449 280 A N 1.993 124.855 122.820 0.070 0.000 1.903 280 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 280 A C 2.259 179.863 177.584 0.034 0.000 1.191 280 A CA 1.698 53.754 52.037 0.032 0.000 0.638 280 A CB -1.035 17.969 19.000 0.006 0.000 0.823 280 A HN 0.488 nan 8.150 nan 0.000 0.451 281 L N -0.180 121.081 121.223 0.063 0.000 2.013 281 L HA -0.186 4.153 4.340 -0.000 0.000 0.212 281 L C 2.364 179.267 176.870 0.054 0.000 1.073 281 L CA 2.164 57.046 54.840 0.070 0.000 0.753 281 L CB -1.278 40.876 42.059 0.158 0.000 0.890 281 L HN 0.492 nan 8.230 nan 0.000 0.432 282 L N -1.309 119.951 121.223 0.061 0.000 1.955 282 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 282 L C 2.631 179.488 176.870 -0.022 0.000 1.072 282 L CA 1.386 56.234 54.840 0.014 0.000 0.755 282 L CB -0.808 41.256 42.059 0.009 0.000 0.888 282 L HN 0.047 nan 8.230 nan 0.000 0.432 283 V N 0.020 119.926 119.914 -0.015 0.000 2.280 283 V HA -0.385 3.735 4.120 -0.000 0.000 0.258 283 V C 2.640 178.716 176.094 -0.031 0.000 1.081 283 V CA 2.142 64.424 62.300 -0.029 0.000 1.070 283 V CB -0.498 31.319 31.823 -0.009 0.000 0.666 283 V HN 0.507 nan 8.190 nan 0.000 0.450 284 E N -1.004 119.188 120.200 -0.013 0.000 2.072 284 E HA -0.166 4.183 4.350 -0.000 0.000 0.191 284 E C 2.218 178.812 176.600 -0.010 0.000 0.985 284 E CA 1.380 57.775 56.400 -0.008 0.000 0.801 284 E CB -0.316 29.383 29.700 -0.002 0.000 0.750 284 E HN 0.583 nan 8.360 nan 0.000 0.452 285 M N 0.537 120.126 119.600 -0.018 0.000 2.084 285 M HA -0.167 4.313 4.480 -0.000 0.000 0.259 285 M C 2.700 178.977 176.300 -0.039 0.000 1.072 285 M CA 1.410 56.695 55.300 -0.025 0.000 1.107 285 M CB -0.933 31.649 32.600 -0.030 0.000 1.299 285 M HN 0.061 nan 8.290 nan 0.000 0.413 286 L N 0.323 121.480 121.223 -0.109 0.000 2.034 286 L HA -0.248 4.092 4.340 -0.000 0.000 0.217 286 L C 2.746 179.610 176.870 -0.010 0.000 1.077 286 L CA 1.779 56.493 54.840 -0.210 0.000 0.769 286 L CB -1.510 40.315 42.059 -0.390 0.000 0.890 286 L HN 0.508 nan 8.230 nan 0.000 0.435 287 G N -0.218 108.579 108.800 -0.004 0.000 2.513 287 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 287 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 287 G C 1.567 176.536 174.900 0.114 0.000 1.160 287 G CA 1.285 46.412 45.100 0.044 0.000 0.767 287 G HN 0.297 nan 8.290 nan 0.000 0.571 288 L N -0.024 121.246 121.223 0.078 0.000 2.044 288 L HA 0.088 4.428 4.340 -0.000 0.000 0.205 288 L C 2.793 179.737 176.870 0.122 0.000 1.075 288 L CA 0.355 55.246 54.840 0.084 0.000 0.747 288 L CB -0.409 41.672 42.059 0.038 0.000 0.903 288 L HN 0.149 nan 8.230 nan 0.000 0.435 289 L N -0.621 120.679 121.223 0.129 0.000 2.456 289 L HA -0.293 4.047 4.340 -0.000 0.000 0.225 289 L C 2.325 179.352 176.870 0.261 0.000 1.142 289 L CA 1.249 56.201 54.840 0.186 0.000 0.796 289 L CB -0.827 41.371 42.059 0.231 0.000 0.920 289 L HN 0.464 nan 8.230 nan 0.000 0.446 290 H N -0.265 118.909 119.070 0.174 0.000 2.334 290 H HA 0.064 4.620 4.556 -0.000 0.000 0.315 290 H C 2.418 177.794 175.328 0.080 0.000 1.056 290 H CA 0.529 56.668 56.048 0.151 0.000 1.418 290 H CB 0.188 30.059 29.762 0.182 0.000 1.464 290 H HN -0.098 nan 8.280 nan 0.000 0.587 291 R N 0.290 120.912 120.500 0.202 0.000 2.170 291 R HA -0.135 4.205 4.340 -0.000 0.000 0.242 291 R C 2.139 178.444 176.300 0.009 0.000 1.145 291 R CA 1.527 57.686 56.100 0.099 0.000 0.984 291 R CB -0.302 30.071 30.300 0.122 0.000 0.869 291 R HN 0.461 nan 8.270 nan 0.000 0.455 292 I N 0.053 120.639 120.570 0.027 0.000 2.141 292 I HA -0.223 3.946 4.170 -0.000 0.000 0.236 292 I C 2.478 178.584 176.117 -0.018 0.000 1.071 292 I CA 1.127 62.436 61.300 0.014 0.000 1.345 292 I CB -0.495 37.529 38.000 0.040 0.000 1.066 292 I HN 0.130 nan 8.210 nan 0.000 0.406 293 A N -0.011 122.794 122.820 -0.024 0.000 2.042 293 A HA -0.280 4.039 4.320 -0.000 0.000 0.222 293 A C 2.301 179.820 177.584 -0.109 0.000 1.167 293 A CA 1.952 53.958 52.037 -0.053 0.000 0.649 293 A CB -0.641 18.324 19.000 -0.059 0.000 0.809 293 A HN 0.502 nan 8.150 nan 0.000 0.457 294 M N -1.621 117.878 119.600 -0.169 0.000 2.486 294 M HA 0.037 4.516 4.480 -0.000 0.000 0.264 294 M C 1.754 178.004 176.300 -0.082 0.000 1.125 294 M CA 0.544 55.743 55.300 -0.168 0.000 1.144 294 M CB 0.247 32.682 32.600 -0.275 0.000 1.353 294 M HN 0.217 nan 8.290 nan 0.000 0.466 295 V N 0.830 120.712 119.914 -0.055 0.000 2.626 295 V HA -0.258 3.862 4.120 -0.000 0.000 0.252 295 V C 1.991 178.073 176.094 -0.021 0.000 1.067 295 V CA 1.665 63.950 62.300 -0.025 0.000 1.081 295 V CB -0.490 31.328 31.823 -0.009 0.000 0.686 295 V HN 0.555 nan 8.190 nan 0.000 0.468 296 Q N -0.924 118.861 119.800 -0.026 0.000 2.172 296 Q HA -0.162 4.178 4.340 -0.000 0.000 0.200 296 Q C 2.169 178.155 176.000 -0.023 0.000 0.964 296 Q CA 1.273 57.065 55.803 -0.018 0.000 0.855 296 Q CB -0.185 28.545 28.738 -0.014 0.000 0.918 296 Q HN 0.515 nan 8.270 nan 0.000 0.444 297 L N 0.350 121.552 121.223 -0.035 0.000 2.240 297 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 297 L C 0.048 176.904 176.870 -0.023 0.000 1.106 297 L CA 0.975 55.797 54.840 -0.031 0.000 0.793 297 L CB 0.408 42.441 42.059 -0.042 0.000 0.927 297 L HN 0.084 nan 8.230 nan 0.000 0.446 298 S N -1.317 114.370 115.700 -0.022 0.000 2.584 298 S HA 0.387 4.857 4.470 -0.000 0.000 0.282 298 S C -2.824 171.770 174.600 -0.011 0.000 1.138 298 S CA -0.930 57.262 58.200 -0.014 0.000 0.987 298 S CB 1.160 64.353 63.200 -0.012 0.000 1.137 298 S HN 0.035 nan 8.310 nan 0.000 0.457 299 P HA 0.360 nan 4.420 nan 0.000 0.238 299 P C 0.467 177.767 177.300 -0.001 0.000 1.729 299 P CA 0.017 63.115 63.100 -0.003 0.000 1.055 299 P CB -0.131 31.568 31.700 -0.002 0.000 1.980 300 A N 1.100 123.919 122.820 -0.000 0.000 2.604 300 A HA 0.378 4.697 4.320 -0.000 0.000 0.157 300 A C 1.816 179.403 177.584 0.005 0.000 1.680 300 A CA 0.724 52.763 52.037 0.003 0.000 1.227 300 A CB -0.693 18.309 19.000 0.003 0.000 1.493 300 A HN 0.245 nan 8.150 nan 0.000 0.453 301 A N 0.502 123.323 122.820 0.001 0.000 1.958 301 A HA 0.028 4.348 4.320 -0.000 0.000 0.221 301 A C 1.215 178.808 177.584 0.015 0.000 1.178 301 A CA 1.097 53.136 52.037 0.003 0.000 0.642 301 A CB -0.714 18.276 19.000 -0.017 0.000 0.816 301 A HN 0.564 nan 8.150 nan 0.000 0.453 302 L N -2.097 119.134 121.223 0.013 0.000 2.483 302 L HA 0.242 4.582 4.340 -0.000 0.000 0.277 302 L C 1.507 178.389 176.870 0.021 0.000 1.248 302 L CA 0.433 55.284 54.840 0.019 0.000 0.825 302 L CB 0.650 42.717 42.059 0.014 0.000 1.096 302 L HN 0.397 nan 8.230 nan 0.000 0.512 303 G N 0.017 108.830 108.800 0.023 0.000 2.524 303 G HA2 0.062 4.022 3.960 -0.000 0.000 0.172 303 G HA3 0.062 4.022 3.960 -0.000 0.000 0.172 303 G C 0.650 175.559 174.900 0.015 0.000 1.636 303 G CA 0.010 45.122 45.100 0.020 0.000 0.732 303 G HN 0.583 nan 8.290 nan 0.000 0.753 304 N N 0.161 118.870 118.700 0.016 0.000 2.742 304 N HA 0.078 4.817 4.740 -0.000 0.000 0.233 304 N C 1.209 176.727 175.510 0.014 0.000 1.033 304 N CA 0.713 53.771 53.050 0.013 0.000 0.993 304 N CB 0.361 38.855 38.487 0.012 0.000 1.544 304 N HN 0.185 nan 8.380 nan 0.000 0.459 305 D N 0.835 121.244 120.400 0.015 0.000 2.240 305 D HA 0.178 4.818 4.640 -0.000 0.000 0.206 305 D C 1.370 177.678 176.300 0.013 0.000 0.963 305 D CA 0.380 54.389 54.000 0.014 0.000 0.863 305 D CB 0.149 40.957 40.800 0.014 0.000 0.973 305 D HN 0.063 nan 8.370 nan 0.000 0.501 306 M N 0.110 119.719 119.600 0.015 0.000 2.788 306 M HA 0.059 4.539 4.480 -0.000 0.000 0.224 306 M C 1.365 177.671 176.300 0.011 0.000 1.078 306 M CA 0.067 55.375 55.300 0.014 0.000 1.046 306 M CB 0.199 32.811 32.600 0.019 0.000 1.690 306 M HN 0.023 nan 8.290 nan 0.000 0.532 307 A N -0.036 122.789 122.820 0.009 0.000 2.235 307 A HA 0.212 4.532 4.320 -0.000 0.000 0.208 307 A C 2.165 179.752 177.584 0.005 0.000 1.172 307 A CA 1.185 53.226 52.037 0.007 0.000 0.786 307 A CB -0.410 18.593 19.000 0.006 0.000 0.804 307 A HN 0.528 nan 8.150 nan 0.000 0.479 308 A N -0.010 122.813 122.820 0.005 0.000 2.081 308 A HA 0.275 4.594 4.320 -0.000 0.000 0.214 308 A C 1.514 179.100 177.584 0.003 0.000 1.158 308 A CA 1.156 53.195 52.037 0.003 0.000 0.724 308 A CB -0.275 18.727 19.000 0.003 0.000 0.826 308 A HN 0.825 nan 8.150 nan 0.000 0.463 309 I N -4.059 116.513 120.570 0.005 0.000 4.219 309 I HA 0.264 4.434 4.170 -0.000 0.000 0.329 309 I C 1.183 177.303 176.117 0.006 0.000 1.427 309 I CA 0.356 61.658 61.300 0.004 0.000 1.151 309 I CB -0.256 37.747 38.000 0.005 0.000 1.369 309 I HN 0.164 nan 8.210 nan 0.000 0.521 310 E N 2.227 122.430 120.200 0.006 0.000 2.110 310 E HA -0.281 4.068 4.350 -0.000 0.000 0.225 310 E C 1.914 178.518 176.600 0.006 0.000 1.063 310 E CA 2.684 59.088 56.400 0.007 0.000 0.906 310 E CB -0.053 29.651 29.700 0.006 0.000 0.795 310 E HN 0.376 nan 8.360 nan 0.000 0.479 311 L N 0.899 122.125 121.223 0.004 0.000 1.976 311 L HA -0.282 4.058 4.340 -0.000 0.000 0.223 311 L C 2.530 179.403 176.870 0.004 0.000 1.081 311 L CA 2.210 57.052 54.840 0.004 0.000 0.784 311 L CB -1.067 40.994 42.059 0.003 0.000 0.896 311 L HN 0.231 nan 8.230 nan 0.000 0.438 312 R N -1.647 118.855 120.500 0.003 0.000 2.122 312 R HA -0.237 4.103 4.340 -0.000 0.000 0.236 312 R C 2.144 178.447 176.300 0.004 0.000 1.129 312 R CA 1.785 57.886 56.100 0.002 0.000 0.925 312 R CB -0.552 29.748 30.300 -0.000 0.000 0.850 312 R HN 0.324 nan 8.270 nan 0.000 0.431 313 M N 0.558 120.161 119.600 0.006 0.000 2.110 313 M HA -0.232 4.248 4.480 -0.000 0.000 0.257 313 M C 2.210 178.516 176.300 0.010 0.000 1.071 313 M CA 1.793 57.099 55.300 0.009 0.000 1.096 313 M CB -1.029 31.579 32.600 0.013 0.000 1.300 313 M HN 0.184 nan 8.290 nan 0.000 0.411 314 R N -0.422 120.084 120.500 0.008 0.000 2.105 314 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 314 R C 2.066 178.372 176.300 0.009 0.000 1.135 314 R CA 1.007 57.112 56.100 0.008 0.000 0.967 314 R CB -0.387 29.917 30.300 0.007 0.000 0.861 314 R HN 0.429 nan 8.270 nan 0.000 0.442 315 E N 1.044 121.249 120.200 0.009 0.000 2.051 315 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 315 E C 2.177 178.785 176.600 0.014 0.000 0.991 315 E CA 0.962 57.367 56.400 0.010 0.000 0.799 315 E CB -0.241 29.464 29.700 0.008 0.000 0.748 315 E HN 0.296 nan 8.360 nan 0.000 0.449 316 L N 0.454 121.684 121.223 0.012 0.000 1.956 316 L HA -0.265 4.074 4.340 -0.000 0.000 0.216 316 L C 2.619 179.505 176.870 0.025 0.000 1.073 316 L CA 1.497 56.347 54.840 0.016 0.000 0.762 316 L CB -0.874 41.190 42.059 0.008 0.000 0.889 316 L HN 0.090 nan 8.230 nan 0.000 0.433 317 A N 0.957 123.789 122.820 0.021 0.000 1.944 317 A HA -0.316 4.004 4.320 -0.000 0.000 0.222 317 A C 2.293 179.889 177.584 0.020 0.000 1.237 317 A CA 2.834 54.882 52.037 0.019 0.000 0.668 317 A CB -0.871 18.136 19.000 0.012 0.000 0.830 317 A HN 0.646 nan 8.150 nan 0.000 0.471 318 R N -0.890 119.621 120.500 0.018 0.000 2.297 318 R HA 0.019 4.359 4.340 -0.000 0.000 0.197 318 R C 1.642 177.955 176.300 0.022 0.000 0.943 318 R CA 1.642 57.752 56.100 0.017 0.000 1.038 318 R CB -0.512 29.795 30.300 0.013 0.000 0.957 318 R HN 0.582 nan 8.270 nan 0.000 0.484 319 T N -1.701 112.870 114.554 0.030 0.000 3.056 319 T HA 0.268 4.618 4.350 -0.000 0.000 0.241 319 T C 0.796 175.528 174.700 0.053 0.000 1.006 319 T CA -0.294 61.828 62.100 0.037 0.000 1.115 319 T CB -0.038 68.852 68.868 0.037 0.000 0.939 319 T HN 0.047 nan 8.240 nan 0.000 0.462 320 I N 3.485 124.095 120.570 0.067 0.000 2.474 320 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 320 I C -2.486 173.680 176.117 0.082 0.000 1.048 320 I CA -2.623 58.738 61.300 0.101 0.000 1.383 320 I CB 1.039 39.121 38.000 0.136 0.000 1.412 320 I HN 0.080 nan 8.210 nan 0.000 0.531 321 P HA 0.091 nan 4.420 nan 0.000 0.276 321 P C -1.956 175.373 177.300 0.049 0.000 1.243 321 P CA -1.183 61.944 63.100 0.045 0.000 0.768 321 P CB 0.220 31.933 31.700 0.022 0.000 0.856 322 P HA -0.301 nan 4.420 nan 0.000 0.217 322 P C 1.174 178.487 177.300 0.021 0.000 1.162 322 P CA 2.170 65.284 63.100 0.024 0.000 0.901 322 P CB -0.567 31.135 31.700 0.003 0.000 0.793 323 T N 0.543 115.098 114.554 0.003 0.000 2.597 323 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 323 T C 1.422 176.115 174.700 -0.010 0.000 1.053 323 T CA 2.291 64.383 62.100 -0.012 0.000 1.165 323 T CB -1.210 67.643 68.868 -0.025 0.000 0.863 323 T HN 0.185 nan 8.240 nan 0.000 0.427 324 D N 0.777 121.172 120.400 -0.008 0.000 2.190 324 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 324 D C 1.955 178.278 176.300 0.038 0.000 0.992 324 D CA 0.750 54.725 54.000 -0.040 0.000 0.854 324 D CB -0.432 40.363 40.800 -0.010 0.000 0.936 324 D HN 0.440 nan 8.370 nan 0.000 0.462 325 I N 0.667 121.337 120.570 0.168 0.000 2.439 325 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 325 I C 2.396 178.654 176.117 0.235 0.000 1.139 325 I CA 0.595 62.076 61.300 0.302 0.000 1.438 325 I CB -0.120 38.005 38.000 0.210 0.000 1.085 325 I HN -0.109 nan 8.210 nan 0.000 0.427 326 Q N 0.692 120.558 119.800 0.110 0.000 1.975 326 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 326 Q C 2.426 178.505 176.000 0.131 0.000 0.990 326 Q CA 1.715 57.565 55.803 0.079 0.000 0.845 326 Q CB -0.946 27.791 28.738 -0.002 0.000 0.913 326 Q HN 0.440 nan 8.270 nan 0.000 0.420 327 L N 0.136 121.381 121.223 0.037 0.000 2.034 327 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 327 L C 2.287 179.198 176.870 0.068 0.000 1.077 327 L CA 1.774 56.612 54.840 -0.003 0.000 0.769 327 L CB -0.516 41.471 42.059 -0.120 0.000 0.890 327 L HN 0.157 nan 8.230 nan 0.000 0.435 328 Y N -1.385 118.999 120.300 0.140 0.000 2.036 328 Y HA -0.349 4.201 4.550 -0.000 0.000 0.273 328 Y C 2.440 178.430 175.900 0.149 0.000 1.135 328 Y CA 2.184 60.364 58.100 0.132 0.000 1.106 328 Y CB -1.444 37.086 38.460 0.116 0.000 0.976 328 Y HN 0.294 nan 8.280 nan 0.000 0.483 329 Y N 0.865 121.309 120.300 0.239 0.000 1.997 329 Y HA -0.498 4.052 4.550 -0.000 0.000 0.265 329 Y C 2.818 178.783 175.900 0.108 0.000 1.193 329 Y CA 2.660 60.847 58.100 0.145 0.000 1.106 329 Y CB -0.734 37.799 38.460 0.121 0.000 0.940 329 Y HN 0.302 nan 8.280 nan 0.000 0.494 330 Q N -0.585 119.552 119.800 0.562 0.000 2.112 330 Q HA -0.234 4.105 4.340 -0.000 0.000 0.206 330 Q C 2.057 178.163 176.000 0.178 0.000 0.987 330 Q CA 2.758 58.784 55.803 0.372 0.000 0.858 330 Q CB -0.312 28.552 28.738 0.210 0.000 0.905 330 Q HN 0.598 nan 8.270 nan 0.000 0.420 331 T N 1.312 115.959 114.554 0.154 0.000 2.674 331 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 331 T C 1.795 176.534 174.700 0.065 0.000 1.039 331 T CA 1.393 63.564 62.100 0.119 0.000 1.150 331 T CB -0.287 68.676 68.868 0.158 0.000 0.864 331 T HN 0.256 nan 8.240 nan 0.000 0.427 332 L N 0.958 122.207 121.223 0.043 0.000 2.013 332 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 332 L C 2.614 179.444 176.870 -0.066 0.000 1.073 332 L CA 0.916 55.741 54.840 -0.026 0.000 0.753 332 L CB -0.789 41.230 42.059 -0.067 0.000 0.890 332 L HN 0.260 nan 8.230 nan 0.000 0.432 333 L N 0.707 121.864 121.223 -0.110 0.000 1.997 333 L HA -0.294 4.046 4.340 -0.000 0.000 0.216 333 L C 2.519 179.375 176.870 -0.023 0.000 1.074 333 L CA 2.084 56.877 54.840 -0.080 0.000 0.763 333 L CB -0.966 41.110 42.059 0.029 0.000 0.890 333 L HN 0.188 nan 8.230 nan 0.000 0.434 334 I N -0.025 120.548 120.570 0.005 0.000 2.087 334 I HA -0.299 3.871 4.170 -0.000 0.000 0.240 334 I C 2.618 178.709 176.117 -0.044 0.000 1.054 334 I CA 1.687 62.980 61.300 -0.011 0.000 1.311 334 I CB -1.430 36.574 38.000 0.007 0.000 1.024 334 I HN 0.426 nan 8.210 nan 0.000 0.402 335 G N 0.558 109.336 108.800 -0.037 0.000 2.475 335 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 335 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 335 G C 1.798 176.665 174.900 -0.054 0.000 1.125 335 G CA 0.877 45.946 45.100 -0.053 0.000 0.755 335 G HN 0.366 nan 8.290 nan 0.000 0.565 336 R N 0.380 120.853 120.500 -0.044 0.000 2.120 336 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 336 R C 2.432 178.714 176.300 -0.029 0.000 1.123 336 R CA 1.473 57.554 56.100 -0.030 0.000 0.975 336 R CB -0.202 30.080 30.300 -0.030 0.000 0.866 336 R HN 0.252 nan 8.270 nan 0.000 0.446 337 K N 1.013 121.384 120.400 -0.048 0.000 2.001 337 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 337 K C 1.292 177.825 176.600 -0.111 0.000 1.048 337 K CA 1.570 57.821 56.287 -0.059 0.000 0.932 337 K CB -0.020 32.437 32.500 -0.071 0.000 0.715 337 K HN 0.267 nan 8.250 nan 0.000 0.437 338 E N 1.518 121.598 120.200 -0.200 0.000 2.515 338 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 338 E C 1.755 178.299 176.600 -0.094 0.000 1.071 338 E CA 0.034 56.240 56.400 -0.323 0.000 0.880 338 E CB -0.123 29.384 29.700 -0.321 0.000 0.828 338 E HN 0.149 nan 8.360 nan 0.000 0.540 339 L N 2.446 123.647 121.223 -0.037 0.000 2.137 339 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 339 L C -0.729 176.175 176.870 0.057 0.000 1.085 339 L CA 2.075 56.916 54.840 0.002 0.000 0.760 339 L CB -1.012 41.056 42.059 0.014 0.000 0.893 339 L HN 0.093 nan 8.230 nan 0.000 0.434 340 P HA -0.055 nan 4.420 nan 0.000 0.257 340 P C 0.995 178.440 177.300 0.241 0.000 1.241 340 P CA 0.657 63.855 63.100 0.163 0.000 0.816 340 P CB 0.078 31.869 31.700 0.152 0.000 1.150 341 Y N 1.642 121.937 120.300 -0.009 0.000 2.206 341 Y HA 0.184 4.734 4.550 -0.000 0.000 0.292 341 Y C 1.854 177.744 175.900 -0.017 0.000 1.123 341 Y CA -0.330 57.765 58.100 -0.009 0.000 1.142 341 Y CB -1.555 36.901 38.460 -0.008 0.000 1.006 341 Y HN -0.123 nan 8.280 nan 0.000 0.518 342 A N 2.747 125.658 122.820 0.152 0.000 2.546 342 A HA 0.052 4.372 4.320 -0.000 0.000 0.243 342 A C -0.946 176.653 177.584 0.026 0.000 1.063 342 A CA -0.729 51.340 52.037 0.053 0.000 0.757 342 A CB -0.366 18.630 19.000 -0.007 0.000 0.991 342 A HN 0.231 nan 8.150 nan 0.000 0.503 343 P HA -0.152 nan 4.420 nan 0.000 0.217 343 P C 0.100 177.397 177.300 -0.006 0.000 1.151 343 P CA 1.330 64.431 63.100 0.002 0.000 0.849 343 P CB 0.139 31.836 31.700 -0.004 0.000 0.787 344 D N -0.737 119.644 120.400 -0.031 0.000 2.425 344 D HA 0.117 4.757 4.640 -0.000 0.000 0.240 344 D C 0.906 177.137 176.300 -0.115 0.000 1.080 344 D CA -0.666 53.301 54.000 -0.056 0.000 0.836 344 D CB 1.275 42.029 40.800 -0.076 0.000 1.125 344 D HN -0.212 nan 8.370 nan 0.000 0.525 345 R N 2.807 123.260 120.500 -0.079 0.000 2.316 345 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 345 R C 2.054 178.056 176.300 -0.496 0.000 1.137 345 R CA 1.348 57.374 56.100 -0.124 0.000 1.012 345 R CB 0.195 30.544 30.300 0.082 0.000 0.859 345 R HN 0.411 nan 8.270 nan 0.000 0.474 346 R N -0.668 119.410 120.500 -0.704 0.000 2.123 346 R HA 0.054 4.394 4.340 -0.000 0.000 0.209 346 R C 2.139 178.063 176.300 -0.627 0.000 1.078 346 R CA 0.671 56.042 56.100 -1.215 0.000 1.028 346 R CB -0.343 29.314 30.300 -1.070 0.000 0.939 346 R HN 0.162 nan 8.270 nan 0.000 0.463 347 M N 1.110 120.500 119.600 -0.350 0.000 2.106 347 M HA -0.114 4.366 4.480 -0.000 0.000 0.259 347 M C 1.930 178.095 176.300 -0.224 0.000 1.068 347 M CA 2.343 57.510 55.300 -0.222 0.000 1.100 347 M CB -0.501 32.020 32.600 -0.132 0.000 1.351 347 M HN 0.428 nan 8.290 nan 0.000 0.404 348 G N -0.214 108.450 108.800 -0.226 0.000 2.586 348 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.218 348 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.218 348 G C 1.294 176.075 174.900 -0.198 0.000 1.216 348 G CA 1.454 46.450 45.100 -0.174 0.000 0.786 348 G HN 0.414 nan 8.290 nan 0.000 0.583 349 V N 1.006 120.738 119.914 -0.304 0.000 2.282 349 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 349 V C 2.766 178.741 176.094 -0.197 0.000 1.057 349 V CA 2.582 64.728 62.300 -0.257 0.000 1.032 349 V CB -0.668 30.905 31.823 -0.418 0.000 0.645 349 V HN 0.545 nan 8.190 nan 0.000 0.447 350 E N -0.631 119.421 120.200 -0.247 0.000 2.047 350 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 350 E C 2.295 178.823 176.600 -0.121 0.000 0.987 350 E CA 1.314 57.618 56.400 -0.160 0.000 0.799 350 E CB -0.264 29.338 29.700 -0.163 0.000 0.752 350 E HN 0.470 nan 8.360 nan 0.000 0.449 351 M N 0.664 120.187 119.600 -0.128 0.000 2.146 351 M HA -0.206 4.274 4.480 -0.000 0.000 0.256 351 M C 2.168 178.416 176.300 -0.086 0.000 1.075 351 M CA 1.481 56.722 55.300 -0.099 0.000 1.082 351 M CB -0.568 31.976 32.600 -0.093 0.000 1.355 351 M HN 0.153 nan 8.290 nan 0.000 0.402 352 T N 0.560 115.064 114.554 -0.083 0.000 2.896 352 T HA 0.029 4.378 4.350 -0.000 0.000 0.263 352 T C 1.815 176.496 174.700 -0.032 0.000 1.050 352 T CA 0.805 62.873 62.100 -0.054 0.000 1.140 352 T CB -0.021 68.815 68.868 -0.054 0.000 0.877 352 T HN 0.311 nan 8.240 nan 0.000 0.457 353 L N 0.397 121.595 121.223 -0.041 0.000 2.095 353 L HA 0.161 4.501 4.340 -0.000 0.000 0.204 353 L C 2.253 179.104 176.870 -0.032 0.000 1.080 353 L CA 0.758 55.586 54.840 -0.019 0.000 0.759 353 L CB -0.508 41.535 42.059 -0.028 0.000 0.914 353 L HN 0.185 nan 8.230 nan 0.000 0.439 354 L N -0.161 121.024 121.223 -0.063 0.000 2.447 354 L HA -0.199 4.140 4.340 -0.000 0.000 0.225 354 L C 2.666 179.454 176.870 -0.137 0.000 1.148 354 L CA 0.608 55.396 54.840 -0.086 0.000 0.808 354 L CB -0.349 41.655 42.059 -0.091 0.000 0.928 354 L HN 0.230 nan 8.230 nan 0.000 0.448 355 R N 0.431 120.852 120.500 -0.131 0.000 2.075 355 R HA 0.048 4.388 4.340 -0.000 0.000 0.220 355 R C 2.140 178.341 176.300 -0.166 0.000 1.118 355 R CA 1.401 57.368 56.100 -0.221 0.000 0.986 355 R CB -0.511 29.725 30.300 -0.106 0.000 0.884 355 R HN 0.185 nan 8.270 nan 0.000 0.439 356 A N 0.154 122.990 122.820 0.027 0.000 2.167 356 A HA 0.056 4.376 4.320 -0.000 0.000 0.214 356 A C 1.640 179.346 177.584 0.204 0.000 1.151 356 A CA 0.568 52.718 52.037 0.189 0.000 0.735 356 A CB -0.341 18.870 19.000 0.352 0.000 0.802 356 A HN 0.238 nan 8.150 nan 0.000 0.467 357 L N -0.342 120.919 121.223 0.064 0.000 1.950 357 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 357 L C 2.956 179.854 176.870 0.046 0.000 1.079 357 L CA 2.092 56.959 54.840 0.046 0.000 0.754 357 L CB -1.279 40.761 42.059 -0.031 0.000 0.889 357 L HN 0.349 nan 8.230 nan 0.000 0.433 358 A N -0.371 122.403 122.820 -0.076 0.000 1.859 358 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 358 A C 1.855 179.505 177.584 0.110 0.000 1.242 358 A CA 1.803 53.802 52.037 -0.063 0.000 0.661 358 A CB -1.594 17.241 19.000 -0.275 0.000 0.842 358 A HN 0.398 nan 8.150 nan 0.000 0.455 359 F N 0.514 120.492 119.950 0.045 0.000 2.443 359 F HA -0.002 4.525 4.527 -0.000 0.000 0.362 359 F C 0.892 176.680 175.800 -0.020 0.000 1.253 359 F CA 0.208 58.208 58.000 0.000 0.000 1.417 359 F CB -0.956 38.028 39.000 -0.028 0.000 1.577 359 F HN 0.557 nan 8.300 nan 0.000 0.627 360 H N 0.872 119.999 119.070 0.094 0.000 2.737 360 H HA 0.414 4.969 4.556 -0.000 0.000 0.358 360 H C -2.614 172.736 175.328 0.036 0.000 1.187 360 H CA -2.526 53.539 56.048 0.027 0.000 1.221 360 H CB 1.828 31.657 29.762 0.112 0.000 1.799 360 H HN -0.229 nan 8.280 nan 0.000 0.568 361 P HA 0.239 nan 4.420 nan 0.000 0.266 361 P C -0.780 176.152 177.300 -0.612 0.000 1.586 361 P CA -0.000 62.698 63.100 -0.670 0.000 1.088 361 P CB 0.270 31.671 31.700 -0.500 0.000 1.584 362 R N -0.530 119.900 120.500 -0.116 0.000 3.203 362 R HA -0.084 4.255 4.340 -0.000 0.000 0.495 362 R C 1.045 177.488 176.300 0.238 0.000 0.723 362 R CA 0.174 56.325 56.100 0.086 0.000 1.336 362 R CB -1.690 28.662 30.300 0.086 0.000 2.046 362 R HN 0.386 nan 8.270 nan 0.000 0.435 363 M N 2.404 122.285 119.600 0.469 0.000 1.896 363 M HA 0.053 4.533 4.480 -0.000 0.000 0.195 363 M C -1.456 174.912 176.300 0.114 0.000 1.281 363 M CA -0.163 55.291 55.300 0.257 0.000 0.880 363 M CB -0.315 32.410 32.600 0.208 0.000 1.181 363 M HN -0.149 nan 8.290 nan 0.000 0.349 364 P HA -0.010 nan 4.420 nan 0.000 0.263 364 P C -1.470 175.849 177.300 0.032 0.000 1.162 364 P CA 0.882 63.998 63.100 0.027 0.000 0.758 364 P CB 0.070 31.769 31.700 -0.001 0.000 0.773 365 L N 4.340 125.579 121.223 0.027 0.000 2.388 365 L HA 0.491 4.831 4.340 -0.000 0.000 0.264 365 L C -1.632 175.249 176.870 0.017 0.000 0.998 365 L CA -2.206 52.651 54.840 0.027 0.000 0.817 365 L CB 1.472 43.551 42.059 0.033 0.000 1.338 365 L HN 0.353 nan 8.230 nan 0.000 0.414 366 P HA 0.120 nan 4.420 nan 0.000 0.270 366 P C -1.077 176.229 177.300 0.009 0.000 1.216 366 P CA 0.008 63.115 63.100 0.011 0.000 0.788 366 P CB 0.829 32.538 31.700 0.015 0.000 0.883 367 E N -0.663 119.541 120.200 0.006 0.000 2.405 367 E HA 0.255 4.604 4.350 -0.000 0.000 0.283 367 E C -2.283 174.319 176.600 0.003 0.000 1.140 367 E CA -1.018 55.386 56.400 0.005 0.000 0.904 367 E CB 0.351 30.054 29.700 0.005 0.000 1.209 367 E HN 0.571 nan 8.360 nan 0.000 0.428 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.102 63.100 0.002 0.000 0.800 368 P CB 0.000 31.702 31.700 0.003 0.000 0.726