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 2jb1_1_B DATA FIRST_RESID 4 DATA SEQUENCE DLIGKVKGSH SVVVLGGGPA GLCSAFELQK AGYKVTVLEA RTRPGGRVWT DATA SEQUENCE ARGGSEETDL SGETQKCTFS EGHFYNVGAT RIPQSHITLD YCRELGVEIQ DATA SEQUENCE GFGNQNANTF VNYQSDTSLS GQSVTYRAAK ADTFGYMSEL LKKATDQGAL DATA SEQUENCE DQVLSREDKD ALSEFLSDFG DLSDDGRYLG SSRRGYDSEP GAGLNFGTEK DATA SEQUENCE KPFAMQEVIR SGIGRNFSFD FGYDQAMMMF TPVGGMDRIY YAFQDRIGTD DATA SEQUENCE NIVFGAEVTS MKNVSEGVTV EYTAGGSKKS ITADYAICTI PPHLVGRLQN DATA SEQUENCE NLPGDVLTAL KAAKPSSSGK LGIEYSRRWW ETEDRIYGGA SNTDKDISQI DATA SEQUENCE MFPYDHYNSD RGVVVAYYSS GKRQEAFESL THRQRLAKAI AEGSEIHGEK DATA SEQUENCE YTRDISSSFS GSWRRTKYSE SAWANWAGXX XXXXXXATPE YEKLLEPVDK DATA SEQUENCE IYFAGDHLSN AIAWQHGALT SARDVVTHIH ERVAQ 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.276 176.300 -0.040 0.000 2.045 4 D CA 0.000 53.979 54.000 -0.036 0.000 0.868 4 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 5 L N 1.968 123.165 121.223 -0.044 0.000 2.005 5 L HA 0.195 4.535 4.340 -0.000 0.000 0.207 5 L C 0.591 177.406 176.870 -0.091 0.000 1.072 5 L CA 1.794 56.602 54.840 -0.053 0.000 0.744 5 L CB -0.077 41.958 42.059 -0.040 0.000 0.895 5 L HN 0.602 nan 8.230 nan 0.000 0.433 6 I N -4.064 116.418 120.570 -0.148 0.000 2.969 6 I HA 0.664 4.834 4.170 -0.000 0.000 0.307 6 I C 0.520 176.527 176.117 -0.184 0.000 1.149 6 I CA -0.841 60.316 61.300 -0.239 0.000 1.008 6 I CB 1.143 38.778 38.000 -0.608 0.000 1.232 6 I HN 0.000 nan 8.210 nan 0.000 0.435 7 G N 2.230 110.988 108.800 -0.072 0.000 2.631 7 G HA2 0.234 4.194 3.960 -0.000 0.000 0.271 7 G HA3 0.234 4.194 3.960 -0.000 0.000 0.271 7 G C -0.317 174.603 174.900 0.034 0.000 1.302 7 G CA -0.640 44.477 45.100 0.028 0.000 1.002 7 G HN 0.589 nan 8.290 nan 0.000 0.519 8 K N -0.264 120.174 120.400 0.063 0.000 2.322 8 K HA 0.197 4.517 4.320 -0.000 0.000 0.283 8 K C 0.056 176.730 176.600 0.122 0.000 1.042 8 K CA -0.383 55.940 56.287 0.060 0.000 0.958 8 K CB 1.666 34.178 32.500 0.020 0.000 0.984 8 K HN 0.171 nan 8.250 nan 0.000 0.473 9 V N 3.133 123.103 119.914 0.093 0.000 2.686 9 V HA 0.044 4.164 4.120 -0.000 0.000 0.295 9 V C -0.234 175.825 176.094 -0.059 0.000 1.055 9 V CA -0.274 62.010 62.300 -0.026 0.000 1.050 9 V CB 0.620 32.189 31.823 -0.424 0.000 0.984 9 V HN 0.573 nan 8.190 nan 0.000 0.482 10 K N 4.697 125.062 120.400 -0.057 0.000 2.211 10 K HA 0.717 5.037 4.320 -0.000 0.000 0.275 10 K C 0.336 177.002 176.600 0.110 0.000 1.024 10 K CA 0.704 56.994 56.287 0.005 0.000 0.887 10 K CB 1.053 33.549 32.500 -0.006 0.000 1.084 10 K HN 1.258 nan 8.250 nan 0.000 0.463 11 G N 1.018 109.851 108.800 0.055 0.000 2.681 11 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 11 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 11 G C -0.793 174.043 174.900 -0.106 0.000 1.353 11 G CA -0.423 44.681 45.100 0.006 0.000 0.872 11 G HN 0.576 nan 8.290 nan 0.000 0.557 12 S N 0.279 115.772 115.700 -0.346 0.000 2.429 12 S HA 0.708 5.178 4.470 -0.000 0.000 0.302 12 S C -0.439 173.718 174.600 -0.739 0.000 1.115 12 S CA -0.211 57.772 58.200 -0.362 0.000 1.095 12 S CB 0.266 63.335 63.200 -0.218 0.000 0.987 12 S HN 0.857 nan 8.310 nan 0.000 0.474 13 H N 1.296 120.344 119.070 -0.036 0.000 2.947 13 H HA 0.487 5.043 4.556 -0.000 0.000 0.354 13 H C -0.656 174.783 175.328 0.183 0.000 1.085 13 H CA -0.718 55.371 56.048 0.069 0.000 1.253 13 H CB 1.862 31.646 29.762 0.037 0.000 1.757 13 H HN 0.597 nan 8.280 nan 0.000 0.523 14 S N 1.776 117.648 115.700 0.286 0.000 2.536 14 S HA 0.839 5.309 4.470 -0.000 0.000 0.298 14 S C -0.937 173.814 174.600 0.251 0.000 1.083 14 S CA -0.746 57.589 58.200 0.225 0.000 0.995 14 S CB 1.733 64.995 63.200 0.103 0.000 1.058 14 S HN 0.325 nan 8.310 nan 0.000 0.488 15 V N 1.825 121.842 119.914 0.173 0.000 2.760 15 V HA 0.630 4.750 4.120 -0.000 0.000 0.309 15 V C -0.698 175.422 176.094 0.043 0.000 1.077 15 V CA -0.852 61.517 62.300 0.114 0.000 0.910 15 V CB 1.818 33.659 31.823 0.029 0.000 1.008 15 V HN 0.874 nan 8.190 nan 0.000 0.424 16 V N 5.917 125.848 119.914 0.028 0.000 2.398 16 V HA 0.622 4.742 4.120 -0.000 0.000 0.286 16 V C -0.539 175.533 176.094 -0.038 0.000 1.026 16 V CA -0.165 62.125 62.300 -0.016 0.000 0.868 16 V CB 1.854 33.670 31.823 -0.012 0.000 0.982 16 V HN 0.665 nan 8.190 nan 0.000 0.443 17 V N 8.233 128.101 119.914 -0.077 0.000 2.347 17 V HA 0.421 4.541 4.120 -0.000 0.000 0.280 17 V C -0.325 175.699 176.094 -0.116 0.000 1.021 17 V CA -0.588 61.657 62.300 -0.092 0.000 0.847 17 V CB 1.313 33.069 31.823 -0.113 0.000 0.990 17 V HN 0.715 nan 8.190 nan 0.000 0.444 18 L N 5.049 126.220 121.223 -0.086 0.000 2.261 18 L HA 0.796 5.136 4.340 -0.000 0.000 0.289 18 L C 0.745 177.556 176.870 -0.097 0.000 1.059 18 L CA 0.558 55.341 54.840 -0.095 0.000 0.816 18 L CB 0.658 42.690 42.059 -0.045 0.000 1.191 18 L HN 0.936 nan 8.230 nan 0.000 0.431 19 G N 1.983 110.695 108.800 -0.147 0.000 3.225 19 G HA2 0.158 4.118 3.960 -0.000 0.000 0.686 19 G HA3 0.158 4.118 3.960 -0.000 0.000 0.686 19 G C 0.053 174.853 174.900 -0.168 0.000 1.105 19 G CA -0.564 44.448 45.100 -0.146 0.000 0.831 19 G HN 0.939 nan 8.290 nan 0.000 0.578 20 G N 0.868 109.559 108.800 -0.183 0.000 4.291 20 G HA2 0.691 4.650 3.960 -0.000 0.000 0.304 20 G HA3 0.691 4.650 3.960 -0.000 0.000 0.304 20 G C 0.883 175.692 174.900 -0.151 0.000 1.264 20 G CA 0.935 45.927 45.100 -0.180 0.000 1.039 20 G HN 1.311 nan 8.290 nan 0.000 0.578 21 G N 0.575 109.270 108.800 -0.175 0.000 2.508 21 G HA2 0.427 4.387 3.960 -0.000 0.000 0.278 21 G HA3 0.427 4.387 3.960 -0.000 0.000 0.278 21 G C -1.026 173.675 174.900 -0.331 0.000 1.389 21 G CA -0.826 44.124 45.100 -0.249 0.000 1.050 21 G HN 0.001 nan 8.290 nan 0.000 0.522 22 P HA -0.077 nan 4.420 nan 0.000 0.215 22 P C 2.091 179.236 177.300 -0.260 0.000 1.153 22 P CA 2.293 65.161 63.100 -0.386 0.000 0.853 22 P CB 0.052 31.547 31.700 -0.343 0.000 0.788 23 A N -0.338 122.368 122.820 -0.189 0.000 1.898 23 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 23 A C 2.474 179.945 177.584 -0.188 0.000 1.181 23 A CA 2.044 53.988 52.037 -0.155 0.000 0.620 23 A CB -1.824 17.132 19.000 -0.074 0.000 0.819 23 A HN 0.276 nan 8.150 nan 0.000 0.442 24 G N -0.266 108.425 108.800 -0.182 0.000 2.404 24 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.215 24 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.215 24 G C 1.555 176.316 174.900 -0.232 0.000 1.174 24 G CA 0.963 45.956 45.100 -0.179 0.000 0.780 24 G HN 0.415 nan 8.290 nan 0.000 0.537 25 L N -0.057 120.981 121.223 -0.308 0.000 2.093 25 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 25 L C 2.984 179.462 176.870 -0.653 0.000 1.085 25 L CA 0.759 55.353 54.840 -0.410 0.000 0.755 25 L CB -0.552 41.263 42.059 -0.407 0.000 0.904 25 L HN 0.394 nan 8.230 nan 0.000 0.435 26 C N -0.551 118.271 119.300 -0.798 0.000 2.429 26 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 26 C C 3.176 178.040 174.990 -0.210 0.000 1.262 26 C CA 1.381 59.998 59.018 -0.668 0.000 1.733 26 C CB -0.535 26.873 27.740 -0.552 0.000 2.010 26 C HN 0.517 nan 8.230 nan 0.000 0.483 27 S N 0.869 116.447 115.700 -0.202 0.000 2.359 27 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 27 S C 2.207 176.742 174.600 -0.108 0.000 1.035 27 S CA 1.657 59.769 58.200 -0.147 0.000 1.018 27 S CB -0.654 62.450 63.200 -0.160 0.000 0.876 27 S HN 0.852 nan 8.310 nan 0.000 0.448 28 A N 0.778 123.539 122.820 -0.097 0.000 1.933 28 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 28 A C 1.913 179.526 177.584 0.049 0.000 1.175 28 A CA 1.395 53.406 52.037 -0.044 0.000 0.628 28 A CB -0.837 18.132 19.000 -0.052 0.000 0.814 28 A HN 0.501 nan 8.150 nan 0.000 0.444 29 F N 0.962 120.874 119.950 -0.065 0.000 2.102 29 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 29 F C 2.266 178.103 175.800 0.062 0.000 1.105 29 F CA 2.185 60.222 58.000 0.061 0.000 1.239 29 F CB -0.033 39.090 39.000 0.206 0.000 0.991 29 F HN 0.213 nan 8.300 nan 0.000 0.474 30 E N 0.601 120.864 120.200 0.105 0.000 2.107 30 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 30 E C 2.437 178.968 176.600 -0.115 0.000 0.982 30 E CA 1.176 57.554 56.400 -0.036 0.000 0.809 30 E CB -0.632 29.099 29.700 0.051 0.000 0.756 30 E HN 0.475 nan 8.360 nan 0.000 0.459 31 L N 0.848 121.997 121.223 -0.124 0.000 2.056 31 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 31 L C 2.839 179.742 176.870 0.055 0.000 1.078 31 L CA 1.221 55.974 54.840 -0.144 0.000 0.749 31 L CB -0.352 41.538 42.059 -0.283 0.000 0.901 31 L HN 0.147 nan 8.230 nan 0.000 0.433 32 Q N 0.399 120.197 119.800 -0.003 0.000 2.124 32 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 32 Q C 2.173 178.147 176.000 -0.043 0.000 0.977 32 Q CA 1.461 57.268 55.803 0.008 0.000 0.850 32 Q CB 0.109 28.839 28.738 -0.013 0.000 0.901 32 Q HN 0.384 nan 8.270 nan 0.000 0.429 33 K N -0.322 119.987 120.400 -0.153 0.000 2.103 33 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 33 K C 1.731 178.288 176.600 -0.071 0.000 1.048 33 K CA 1.210 57.393 56.287 -0.174 0.000 0.930 33 K CB -0.076 32.256 32.500 -0.280 0.000 0.716 33 K HN 0.232 nan 8.250 nan 0.000 0.444 34 A N -0.163 122.652 122.820 -0.008 0.000 2.251 34 A HA 0.204 4.524 4.320 -0.000 0.000 0.209 34 A C 1.224 178.847 177.584 0.066 0.000 1.187 34 A CA 0.837 52.898 52.037 0.041 0.000 0.823 34 A CB 0.017 19.060 19.000 0.072 0.000 0.846 34 A HN 0.420 nan 8.150 nan 0.000 0.486 35 G N -2.256 106.585 108.800 0.068 0.000 2.144 35 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.218 35 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.218 35 G C -0.064 174.838 174.900 0.004 0.000 0.988 35 G CA 0.001 45.109 45.100 0.014 0.000 0.659 35 G HN 0.410 nan 8.290 nan 0.000 0.522 36 Y N 0.212 120.534 120.300 0.037 0.000 2.326 36 Y HA 0.485 5.035 4.550 -0.000 0.000 0.333 36 Y C 0.936 176.858 175.900 0.037 0.000 1.240 36 Y CA -0.004 58.134 58.100 0.064 0.000 1.365 36 Y CB 0.783 39.278 38.460 0.057 0.000 1.289 36 Y HN 0.104 nan 8.280 nan 0.000 0.548 37 K N 2.774 123.291 120.400 0.194 0.000 2.339 37 K HA 0.438 4.758 4.320 -0.000 0.000 0.286 37 K C -1.416 175.260 176.600 0.127 0.000 1.050 37 K CA -0.353 56.005 56.287 0.120 0.000 0.956 37 K CB 0.162 32.708 32.500 0.077 0.000 0.990 37 K HN 0.468 nan 8.250 nan 0.000 0.475 38 V N 0.748 120.706 119.914 0.074 0.000 2.789 38 V HA 0.729 4.849 4.120 -0.000 0.000 0.311 38 V C -0.930 175.163 176.094 -0.001 0.000 1.073 38 V CA -0.531 61.789 62.300 0.034 0.000 0.921 38 V CB 2.041 33.872 31.823 0.013 0.000 1.009 38 V HN 0.728 nan 8.190 nan 0.000 0.426 39 T N 3.557 118.093 114.554 -0.029 0.000 2.879 39 T HA 0.623 4.973 4.350 -0.000 0.000 0.290 39 T C -0.547 174.080 174.700 -0.121 0.000 0.993 39 T CA -0.433 61.625 62.100 -0.069 0.000 0.975 39 T CB 1.604 70.437 68.868 -0.058 0.000 0.981 39 T HN 0.754 nan 8.240 nan 0.000 0.439 40 V N 4.773 124.585 119.914 -0.171 0.000 2.427 40 V HA 0.485 4.604 4.120 -0.000 0.000 0.286 40 V C -0.259 175.638 176.094 -0.328 0.000 1.034 40 V CA -0.799 61.362 62.300 -0.231 0.000 0.893 40 V CB 1.269 32.945 31.823 -0.244 0.000 0.982 40 V HN 0.716 nan 8.190 nan 0.000 0.452 41 L N 4.381 125.402 121.223 -0.336 0.000 2.298 41 L HA 0.638 4.978 4.340 -0.000 0.000 0.284 41 L C -0.390 176.261 176.870 -0.365 0.000 1.013 41 L CA -0.396 54.186 54.840 -0.429 0.000 0.824 41 L CB 1.579 43.344 42.059 -0.489 0.000 1.221 41 L HN 0.617 nan 8.230 nan 0.000 0.418 42 E N 2.206 122.168 120.200 -0.396 0.000 2.199 42 E HA 0.519 4.869 4.350 -0.000 0.000 0.265 42 E C 0.217 176.655 176.600 -0.271 0.000 0.882 42 E CA -0.353 55.858 56.400 -0.314 0.000 0.759 42 E CB 2.098 31.608 29.700 -0.318 0.000 1.148 42 E HN 0.551 nan 8.360 nan 0.000 0.412 43 A N 5.357 127.947 122.820 -0.382 0.000 1.930 43 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 43 A C 1.072 178.402 177.584 -0.424 0.000 1.175 43 A CA 0.893 52.579 52.037 -0.586 0.000 0.627 43 A CB -0.186 17.988 19.000 -1.377 0.000 0.815 43 A HN 0.597 nan 8.150 nan 0.000 0.443 44 R N -0.716 119.618 120.500 -0.277 0.000 2.652 44 R HA 0.320 4.660 4.340 -0.000 0.000 0.271 44 R C 0.806 177.146 176.300 0.066 0.000 1.129 44 R CA 0.587 56.649 56.100 -0.065 0.000 1.200 44 R CB 0.058 30.330 30.300 -0.047 0.000 1.146 44 R HN 0.346 nan 8.270 nan 0.000 0.581 45 T N -1.733 112.834 114.554 0.022 0.000 3.251 45 T HA 0.192 4.542 4.350 -0.000 0.000 0.259 45 T C 0.110 174.684 174.700 -0.209 0.000 0.998 45 T CA -0.567 61.509 62.100 -0.041 0.000 0.905 45 T CB -0.426 68.424 68.868 -0.031 0.000 1.067 45 T HN 0.608 nan 8.240 nan 0.000 0.569 46 R N -0.555 119.862 120.500 -0.138 0.000 2.707 46 R HA 0.719 5.059 4.340 -0.000 0.000 0.272 46 R C -3.475 172.806 176.300 -0.032 0.000 1.011 46 R CA -2.147 53.839 56.100 -0.190 0.000 0.893 46 R CB 0.805 31.082 30.300 -0.039 0.000 1.233 46 R HN -0.077 nan 8.270 nan 0.000 0.464 47 P HA 0.264 nan 4.420 nan 0.000 0.286 47 P C 0.131 177.393 177.300 -0.063 0.000 1.261 47 P CA 0.274 63.381 63.100 0.012 0.000 0.821 47 P CB 1.649 33.314 31.700 -0.059 0.000 1.013 48 G N 0.449 109.211 108.800 -0.064 0.000 2.380 48 G HA2 0.031 3.991 3.960 -0.000 0.000 0.197 48 G HA3 0.031 3.991 3.960 -0.000 0.000 0.197 48 G C 0.667 175.447 174.900 -0.200 0.000 1.001 48 G CA 0.361 45.349 45.100 -0.187 0.000 0.668 48 G HN 0.905 nan 8.290 nan 0.000 0.483 49 G N 0.555 109.306 108.800 -0.082 0.000 2.602 49 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.310 49 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.310 49 G C 0.955 175.885 174.900 0.050 0.000 1.183 49 G CA 1.351 46.427 45.100 -0.041 0.000 0.979 49 G HN 1.064 nan 8.290 nan 0.000 0.545 50 R N -0.044 120.412 120.500 -0.073 0.000 2.316 50 R HA 0.219 4.559 4.340 -0.000 0.000 0.202 50 R C 0.675 176.924 176.300 -0.085 0.000 1.029 50 R CA 0.575 56.508 56.100 -0.278 0.000 1.018 50 R CB -0.032 29.958 30.300 -0.518 0.000 0.888 50 R HN 0.251 nan 8.270 nan 0.000 0.471 51 V N 1.646 121.561 119.914 0.003 0.000 2.356 51 V HA 0.066 4.186 4.120 -0.000 0.000 0.258 51 V C -0.809 175.490 176.094 0.341 0.000 1.065 51 V CA -0.307 62.076 62.300 0.138 0.000 0.935 51 V CB 0.241 32.096 31.823 0.053 0.000 1.061 51 V HN 0.212 nan 8.190 nan 0.000 0.484 52 W N 4.677 126.104 121.300 0.213 0.000 2.900 52 W HA 0.631 5.291 4.660 -0.000 0.000 0.336 52 W C -0.563 176.046 176.519 0.149 0.000 1.064 52 W CA -0.852 56.627 57.345 0.224 0.000 1.237 52 W CB 1.927 31.600 29.460 0.356 0.000 1.391 52 W HN 0.393 nan 8.180 nan 0.000 0.468 53 T N 5.070 119.714 114.554 0.150 0.000 2.791 53 T HA 0.666 5.015 4.350 -0.000 0.000 0.288 53 T C -0.138 174.396 174.700 -0.276 0.000 0.999 53 T CA -0.380 61.665 62.100 -0.092 0.000 0.952 53 T CB 1.083 69.956 68.868 0.009 0.000 0.938 53 T HN 0.548 nan 8.240 nan 0.000 0.444 54 A N 4.776 127.267 122.820 -0.548 0.000 2.320 54 A HA 0.702 5.022 4.320 -0.000 0.000 0.287 54 A C 0.372 177.873 177.584 -0.138 0.000 1.181 54 A CA -0.457 51.214 52.037 -0.610 0.000 0.831 54 A CB 0.354 18.764 19.000 -0.983 0.000 1.102 54 A HN 0.825 nan 8.150 nan 0.000 0.513 55 R N 1.359 121.772 120.500 -0.146 0.000 2.905 55 R HA 0.574 4.913 4.340 -0.000 0.000 0.260 55 R C 0.363 176.601 176.300 -0.103 0.000 1.086 55 R CA -0.644 55.486 56.100 0.051 0.000 0.978 55 R CB 1.461 31.795 30.300 0.056 0.000 1.215 55 R HN 0.810 nan 8.270 nan 0.000 0.480 56 G N -0.505 108.301 108.800 0.011 0.000 2.272 56 G HA2 0.322 4.282 3.960 -0.000 0.000 0.247 56 G HA3 0.322 4.282 3.960 -0.000 0.000 0.247 56 G C 0.856 175.715 174.900 -0.069 0.000 1.272 56 G CA 0.815 45.883 45.100 -0.052 0.000 0.921 56 G HN 0.791 nan 8.290 nan 0.000 0.495 57 G N 1.434 110.175 108.800 -0.098 0.000 2.258 57 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.233 57 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.233 57 G C 0.795 175.652 174.900 -0.072 0.000 1.006 57 G CA 0.321 45.382 45.100 -0.065 0.000 0.620 57 G HN 1.177 nan 8.290 nan 0.000 0.511 58 S N 1.173 116.790 115.700 -0.139 0.000 2.525 58 S HA 0.431 4.901 4.470 -0.000 0.000 0.285 58 S C 0.103 174.675 174.600 -0.046 0.000 1.283 58 S CA 0.621 58.753 58.200 -0.113 0.000 1.072 58 S CB 1.402 64.418 63.200 -0.308 0.000 0.867 58 S HN 0.585 nan 8.310 nan 0.000 0.492 59 E N 1.832 122.085 120.200 0.087 0.000 2.248 59 E HA 0.473 4.823 4.350 -0.000 0.000 0.267 59 E C -1.206 175.517 176.600 0.206 0.000 0.877 59 E CA -0.589 55.898 56.400 0.145 0.000 0.759 59 E CB 1.298 31.041 29.700 0.072 0.000 1.182 59 E HN 0.516 nan 8.360 nan 0.000 0.418 60 E N 1.987 122.336 120.200 0.248 0.000 2.290 60 E HA 0.324 4.673 4.350 -0.000 0.000 0.274 60 E C -1.782 174.855 176.600 0.061 0.000 0.889 60 E CA -0.519 55.981 56.400 0.168 0.000 0.760 60 E CB 2.025 31.926 29.700 0.336 0.000 1.206 60 E HN 0.316 nan 8.360 nan 0.000 0.419 61 T N 4.311 118.868 114.554 0.005 0.000 2.756 61 T HA 0.339 4.688 4.350 -0.000 0.000 0.290 61 T C -0.658 174.008 174.700 -0.056 0.000 0.985 61 T CA -0.811 61.275 62.100 -0.022 0.000 0.955 61 T CB 0.434 69.291 68.868 -0.019 0.000 0.930 61 T HN 0.544 nan 8.240 nan 0.000 0.451 62 D N 2.449 122.813 120.400 -0.060 0.000 2.433 62 D HA 0.158 4.798 4.640 -0.000 0.000 0.255 62 D C 1.234 177.491 176.300 -0.073 0.000 1.226 62 D CA -0.926 53.028 54.000 -0.077 0.000 1.015 62 D CB 0.611 41.368 40.800 -0.072 0.000 1.091 62 D HN 0.319 nan 8.370 nan 0.000 0.527 63 L N -0.513 120.665 121.223 -0.075 0.000 2.465 63 L HA -0.047 4.293 4.340 -0.000 0.000 0.224 63 L C 1.732 178.573 176.870 -0.048 0.000 1.145 63 L CA 0.604 55.402 54.840 -0.070 0.000 0.834 63 L CB -0.294 41.723 42.059 -0.069 0.000 0.944 63 L HN 0.320 nan 8.230 nan 0.000 0.451 64 S N -0.475 115.202 115.700 -0.038 0.000 2.593 64 S HA 0.163 4.633 4.470 -0.000 0.000 0.217 64 S C 1.516 176.102 174.600 -0.024 0.000 0.966 64 S CA 0.671 58.855 58.200 -0.026 0.000 0.914 64 S CB 0.500 63.689 63.200 -0.017 0.000 0.776 64 S HN 0.636 nan 8.310 nan 0.000 0.523 65 G N 1.965 110.747 108.800 -0.030 0.000 2.157 65 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.248 65 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.248 65 G C -0.147 174.742 174.900 -0.019 0.000 0.979 65 G CA 0.126 45.211 45.100 -0.025 0.000 0.650 65 G HN 0.544 nan 8.290 nan 0.000 0.529 66 E N 0.978 121.165 120.200 -0.021 0.000 2.259 66 E HA 0.515 4.865 4.350 -0.000 0.000 0.281 66 E C -0.303 176.281 176.600 -0.027 0.000 1.027 66 E CA -0.132 56.257 56.400 -0.018 0.000 0.838 66 E CB 0.485 30.178 29.700 -0.012 0.000 1.066 66 E HN 0.100 nan 8.360 nan 0.000 0.401 67 T N 5.011 119.554 114.554 -0.019 0.000 2.758 67 T HA 0.232 4.582 4.350 -0.000 0.000 0.285 67 T C -0.569 174.115 174.700 -0.026 0.000 0.981 67 T CA -0.554 61.538 62.100 -0.013 0.000 0.965 67 T CB 1.152 70.021 68.868 0.002 0.000 0.927 67 T HN 0.460 nan 8.240 nan 0.000 0.448 68 Q N 2.270 122.047 119.800 -0.039 0.000 2.274 68 Q HA 0.441 4.781 4.340 -0.000 0.000 0.260 68 Q C -0.557 175.513 176.000 0.117 0.000 0.974 68 Q CA -0.784 54.979 55.803 -0.068 0.000 0.876 68 Q CB 2.019 30.536 28.738 -0.367 0.000 1.297 68 Q HN 0.439 nan 8.270 nan 0.000 0.446 69 K N 1.395 121.844 120.400 0.082 0.000 2.394 69 K HA 0.308 4.628 4.320 -0.000 0.000 0.260 69 K C -0.957 175.650 176.600 0.013 0.000 0.967 69 K CA -0.525 55.802 56.287 0.067 0.000 0.855 69 K CB 1.559 34.066 32.500 0.011 0.000 1.101 69 K HN 0.560 nan 8.250 nan 0.000 0.433 70 C N 2.973 122.197 119.300 -0.127 0.000 2.637 70 C HA 0.221 4.681 4.460 -0.000 0.000 0.418 70 C C 1.352 176.144 174.990 -0.330 0.000 1.319 70 C CA 0.164 58.913 59.018 -0.448 0.000 1.949 70 C CB -0.726 26.419 27.740 -0.992 0.000 2.639 70 C HN 0.955 nan 8.230 nan 0.000 0.594 71 T N 2.495 116.852 114.554 -0.328 0.000 3.380 71 T HA 0.307 4.657 4.350 -0.000 0.000 0.289 71 T C -0.147 174.544 174.700 -0.015 0.000 1.012 71 T CA -0.375 61.645 62.100 -0.132 0.000 0.944 71 T CB -0.600 68.231 68.868 -0.062 0.000 1.172 71 T HN 0.448 nan 8.240 nan 0.000 0.502 72 F N 2.759 122.685 119.950 -0.040 0.000 2.595 72 F HA 0.375 4.902 4.527 -0.000 0.000 0.359 72 F C 1.356 177.147 175.800 -0.014 0.000 1.147 72 F CA -0.821 57.161 58.000 -0.030 0.000 1.341 72 F CB -0.050 38.949 39.000 -0.002 0.000 1.104 72 F HN 0.102 nan 8.300 nan 0.000 0.603 73 S N 0.600 116.401 115.700 0.167 0.000 2.573 73 S HA -0.026 4.444 4.470 -0.000 0.000 0.277 73 S C 0.156 174.869 174.600 0.187 0.000 1.346 73 S CA -0.721 57.535 58.200 0.093 0.000 1.034 73 S CB 0.151 63.316 63.200 -0.058 0.000 0.879 73 S HN 0.592 nan 8.310 nan 0.000 0.528 74 E N 0.307 120.593 120.200 0.143 0.000 2.558 74 E HA 0.210 4.560 4.350 -0.000 0.000 0.255 74 E C 1.217 177.921 176.600 0.172 0.000 0.968 74 E CA 0.761 57.242 56.400 0.134 0.000 0.939 74 E CB -0.256 29.497 29.700 0.087 0.000 0.921 74 E HN 0.883 nan 8.360 nan 0.000 0.477 75 G N 3.816 112.703 108.800 0.144 0.000 2.225 75 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.254 75 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.254 75 G C -0.214 174.742 174.900 0.094 0.000 0.988 75 G CA 0.406 45.584 45.100 0.130 0.000 0.625 75 G HN 0.726 nan 8.290 nan 0.000 0.527 76 H N -0.119 119.012 119.070 0.101 0.000 2.467 76 H HA 0.693 5.249 4.556 -0.000 0.000 0.331 76 H C 0.155 175.531 175.328 0.080 0.000 1.120 76 H CA 0.305 56.313 56.048 -0.065 0.000 1.270 76 H CB 0.980 30.575 29.762 -0.278 0.000 1.466 76 H HN 0.628 nan 8.280 nan 0.000 0.504 77 F N 0.412 120.332 119.950 -0.049 0.000 2.773 77 F HA 0.520 5.046 4.527 -0.000 0.000 0.314 77 F C -2.003 173.793 175.800 -0.007 0.000 1.160 77 F CA -1.497 56.512 58.000 0.015 0.000 0.920 77 F CB 1.138 40.153 39.000 0.024 0.000 1.323 77 F HN 0.496 nan 8.300 nan 0.000 0.457 78 Y N -0.475 119.880 120.300 0.092 0.000 2.571 78 Y HA 0.589 5.139 4.550 -0.000 0.000 0.341 78 Y C -1.821 174.227 175.900 0.246 0.000 1.076 78 Y CA -1.616 56.519 58.100 0.058 0.000 1.029 78 Y CB 1.372 39.755 38.460 -0.128 0.000 1.308 78 Y HN 0.733 nan 8.280 nan 0.000 0.461 79 N N 1.971 120.818 118.700 0.246 0.000 2.405 79 N HA 0.236 4.976 4.740 -0.000 0.000 0.260 79 N C 0.392 175.897 175.510 -0.008 0.000 1.152 79 N CA -0.351 52.767 53.050 0.114 0.000 0.948 79 N CB 1.770 40.420 38.487 0.273 0.000 1.111 79 N HN 0.585 nan 8.380 nan 0.000 0.485 80 V N 1.517 121.304 119.914 -0.212 0.000 2.719 80 V HA -0.005 4.114 4.120 -0.000 0.000 0.252 80 V C 1.557 177.941 176.094 0.484 0.000 1.065 80 V CA 1.673 63.965 62.300 -0.014 0.000 1.086 80 V CB -0.603 30.991 31.823 -0.381 0.000 0.700 80 V HN 0.804 nan 8.190 nan 0.000 0.467 81 G N -0.861 108.213 108.800 0.457 0.000 3.345 81 G HA2 0.533 4.493 3.960 -0.000 0.000 0.202 81 G HA3 0.533 4.493 3.960 -0.000 0.000 0.202 81 G C 0.306 175.250 174.900 0.073 0.000 1.740 81 G CA 0.131 45.365 45.100 0.224 0.000 0.806 81 G HN 0.482 nan 8.290 nan 0.000 0.718 82 A N -0.657 122.193 122.820 0.051 0.000 2.567 82 A HA 0.473 4.792 4.320 -0.000 0.000 0.240 82 A C 0.880 178.521 177.584 0.094 0.000 1.053 82 A CA 1.482 53.553 52.037 0.057 0.000 0.755 82 A CB 0.342 19.406 19.000 0.107 0.000 0.978 82 A HN 0.700 nan 8.150 nan 0.000 0.507 83 T N 1.013 115.587 114.554 0.033 0.000 3.074 83 T HA 0.189 4.539 4.350 -0.000 0.000 0.258 83 T C 0.419 174.974 174.700 -0.242 0.000 0.891 83 T CA 0.457 62.570 62.100 0.022 0.000 0.867 83 T CB -0.031 68.904 68.868 0.112 0.000 1.261 83 T HN 0.938 nan 8.240 nan 0.000 0.537 84 R N 0.678 121.005 120.500 -0.288 0.000 2.725 84 R HA 0.783 5.123 4.340 -0.000 0.000 0.277 84 R C -1.679 174.631 176.300 0.017 0.000 0.987 84 R CA -0.919 54.899 56.100 -0.471 0.000 0.901 84 R CB 1.514 31.253 30.300 -0.935 0.000 1.207 84 R HN 0.185 nan 8.270 nan 0.000 0.463 85 I N 2.027 122.594 120.570 -0.005 0.000 2.534 85 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 85 I C -2.453 173.617 176.117 -0.077 0.000 1.077 85 I CA -2.507 58.827 61.300 0.056 0.000 1.051 85 I CB 2.812 40.899 38.000 0.146 0.000 1.234 85 I HN 0.490 nan 8.210 nan 0.000 0.425 86 P HA 0.218 nan 4.420 nan 0.000 0.278 86 P C -0.313 176.812 177.300 -0.292 0.000 1.258 86 P CA -0.303 62.539 63.100 -0.431 0.000 0.811 86 P CB 1.046 32.230 31.700 -0.861 0.000 1.063 87 Q N 0.162 119.856 119.800 -0.177 0.000 2.291 87 Q HA -0.086 4.253 4.340 -0.000 0.000 0.205 87 Q C 1.864 177.789 176.000 -0.125 0.000 0.970 87 Q CA 1.794 57.543 55.803 -0.090 0.000 0.876 87 Q CB -0.330 28.384 28.738 -0.039 0.000 0.935 87 Q HN 0.560 nan 8.270 nan 0.000 0.455 88 S N -1.212 114.361 115.700 -0.213 0.000 2.528 88 S HA -0.018 4.452 4.470 -0.000 0.000 0.219 88 S C 0.302 174.898 174.600 -0.006 0.000 0.985 88 S CA -0.234 57.909 58.200 -0.096 0.000 0.914 88 S CB -0.156 63.003 63.200 -0.068 0.000 0.776 88 S HN 0.332 nan 8.310 nan 0.000 0.526 89 H N 0.566 119.518 119.070 -0.195 0.000 2.683 89 H HA 0.295 4.851 4.556 -0.000 0.000 0.339 89 H C 0.934 176.346 175.328 0.140 0.000 1.081 89 H CA -0.191 55.782 56.048 -0.126 0.000 1.432 89 H CB 1.102 30.797 29.762 -0.111 0.000 1.462 89 H HN 0.144 nan 8.280 nan 0.000 0.557 90 I N 2.556 123.434 120.570 0.513 0.000 2.916 90 I HA -0.223 3.947 4.170 -0.000 0.000 0.267 90 I C 1.454 177.780 176.117 0.349 0.000 1.263 90 I CA 0.756 62.260 61.300 0.340 0.000 1.471 90 I CB 0.032 38.212 38.000 0.301 0.000 1.089 90 I HN 0.680 nan 8.210 nan 0.000 0.468 91 T N 1.263 116.038 114.554 0.368 0.000 2.737 91 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 91 T C 1.810 176.636 174.700 0.211 0.000 1.040 91 T CA 1.459 63.750 62.100 0.319 0.000 1.142 91 T CB -0.294 68.767 68.868 0.321 0.000 0.861 91 T HN 0.362 nan 8.240 nan 0.000 0.456 92 L N 0.678 121.990 121.223 0.150 0.000 2.093 92 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 92 L C 2.330 179.201 176.870 0.001 0.000 1.085 92 L CA 1.318 56.186 54.840 0.046 0.000 0.755 92 L CB -0.709 41.342 42.059 -0.014 0.000 0.904 92 L HN 0.209 nan 8.230 nan 0.000 0.435 93 D N -0.649 119.752 120.400 0.002 0.000 2.117 93 D HA -0.210 4.430 4.640 -0.000 0.000 0.197 93 D C 1.963 178.165 176.300 -0.164 0.000 0.987 93 D CA 1.376 55.317 54.000 -0.098 0.000 0.829 93 D CB -0.216 40.498 40.800 -0.144 0.000 0.961 93 D HN 0.238 nan 8.370 nan 0.000 0.460 94 Y N 0.238 120.512 120.300 -0.045 0.000 2.314 94 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 94 Y C 2.392 178.144 175.900 -0.247 0.000 1.129 94 Y CA 0.332 58.338 58.100 -0.157 0.000 1.201 94 Y CB -0.405 37.974 38.460 -0.136 0.000 0.999 94 Y HN 0.081 nan 8.280 nan 0.000 0.541 95 C N -0.537 118.742 119.300 -0.034 0.000 2.425 95 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 95 C C 2.861 177.792 174.990 -0.099 0.000 1.280 95 C CA 1.125 60.088 59.018 -0.091 0.000 1.744 95 C CB -0.956 26.756 27.740 -0.047 0.000 1.989 95 C HN 0.492 nan 8.230 nan 0.000 0.491 96 R N 1.093 121.540 120.500 -0.088 0.000 2.066 96 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 96 R C 2.171 178.419 176.300 -0.087 0.000 1.131 96 R CA 1.994 58.043 56.100 -0.085 0.000 0.955 96 R CB -0.385 29.864 30.300 -0.085 0.000 0.851 96 R HN 0.479 nan 8.270 nan 0.000 0.432 97 E N 0.712 120.848 120.200 -0.106 0.000 2.118 97 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 97 E C 1.692 178.245 176.600 -0.077 0.000 0.992 97 E CA 1.404 57.759 56.400 -0.075 0.000 0.804 97 E CB -0.149 29.502 29.700 -0.082 0.000 0.741 97 E HN 0.464 nan 8.360 nan 0.000 0.458 98 L N -1.233 119.891 121.223 -0.165 0.000 2.567 98 L HA 0.282 4.621 4.340 -0.000 0.000 0.225 98 L C 1.308 178.100 176.870 -0.130 0.000 1.119 98 L CA 0.269 54.982 54.840 -0.212 0.000 0.871 98 L CB 0.022 41.825 42.059 -0.426 0.000 1.036 98 L HN 0.385 nan 8.230 nan 0.000 0.459 99 G N 0.809 109.551 108.800 -0.097 0.000 2.198 99 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 99 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 99 G C 0.019 174.878 174.900 -0.068 0.000 1.042 99 G CA 0.033 45.093 45.100 -0.066 0.000 0.791 99 G HN 0.112 nan 8.290 nan 0.000 0.502 100 V N 0.928 120.790 119.914 -0.088 0.000 2.348 100 V HA 0.326 4.446 4.120 -0.000 0.000 0.270 100 V C 0.872 176.939 176.094 -0.045 0.000 1.037 100 V CA -0.532 61.722 62.300 -0.076 0.000 0.872 100 V CB 1.502 33.256 31.823 -0.114 0.000 1.002 100 V HN 0.507 nan 8.190 nan 0.000 0.464 101 E N 5.262 125.447 120.200 -0.025 0.000 2.415 101 E HA 0.229 4.579 4.350 -0.000 0.000 0.263 101 E C -0.320 176.295 176.600 0.025 0.000 0.995 101 E CA -0.234 56.165 56.400 -0.002 0.000 0.915 101 E CB 0.709 30.412 29.700 0.005 0.000 0.951 101 E HN 0.748 nan 8.360 nan 0.000 0.449 102 I N 0.822 121.418 120.570 0.043 0.000 2.750 102 I HA 0.480 4.649 4.170 -0.000 0.000 0.308 102 I C -0.681 175.534 176.117 0.162 0.000 1.016 102 I CA -0.928 60.434 61.300 0.104 0.000 1.098 102 I CB 1.807 39.870 38.000 0.105 0.000 1.279 102 I HN 0.569 nan 8.210 nan 0.000 0.454 103 Q N 2.602 122.542 119.800 0.232 0.000 2.544 103 Q HA 0.657 4.997 4.340 -0.000 0.000 0.291 103 Q C -0.488 175.675 176.000 0.272 0.000 1.068 103 Q CA -1.141 54.811 55.803 0.249 0.000 0.785 103 Q CB 1.493 30.340 28.738 0.182 0.000 1.481 103 Q HN 0.907 nan 8.270 nan 0.000 0.430 104 G N 0.461 109.358 108.800 0.161 0.000 2.398 104 G HA2 0.312 4.271 3.960 -0.000 0.000 0.246 104 G HA3 0.312 4.271 3.960 -0.000 0.000 0.246 104 G C -1.502 173.345 174.900 -0.089 0.000 1.289 104 G CA -0.272 44.747 45.100 -0.135 0.000 0.869 104 G HN 0.464 nan 8.290 nan 0.000 0.543 105 F N 2.353 122.092 119.950 -0.352 0.000 2.427 105 F HA 0.573 5.100 4.527 -0.000 0.000 0.346 105 F C 0.694 176.436 175.800 -0.097 0.000 1.120 105 F CA -0.981 56.869 58.000 -0.250 0.000 1.033 105 F CB 1.677 40.502 39.000 -0.291 0.000 1.126 105 F HN 0.548 nan 8.300 nan 0.000 0.462 106 G N 4.226 112.718 108.800 -0.515 0.000 2.508 106 G HA2 0.016 3.976 3.960 -0.000 0.000 0.301 106 G HA3 0.016 3.976 3.960 -0.000 0.000 0.301 106 G C 0.180 174.958 174.900 -0.203 0.000 0.965 106 G CA -0.323 44.631 45.100 -0.243 0.000 1.339 106 G HN 0.735 nan 8.290 nan 0.000 0.455 107 N N 0.722 119.488 118.700 0.109 0.000 2.236 107 N HA 0.056 4.796 4.740 -0.000 0.000 0.196 107 N C 0.351 175.994 175.510 0.222 0.000 1.114 107 N CA 0.099 53.347 53.050 0.329 0.000 0.859 107 N CB 0.389 39.154 38.487 0.463 0.000 0.982 107 N HN 0.628 nan 8.380 nan 0.000 0.493 108 Q N 0.154 120.006 119.800 0.086 0.000 2.284 108 Q HA 0.362 4.702 4.340 -0.000 0.000 0.269 108 Q C -2.099 173.883 176.000 -0.030 0.000 1.026 108 Q CA -0.720 55.081 55.803 -0.004 0.000 0.831 108 Q CB 1.163 29.900 28.738 -0.001 0.000 1.322 108 Q HN 0.013 nan 8.270 nan 0.000 0.419 109 N N 1.690 120.343 118.700 -0.078 0.000 2.503 109 N HA 0.354 5.094 4.740 -0.000 0.000 0.287 109 N C -0.358 175.177 175.510 0.042 0.000 1.096 109 N CA 0.352 53.406 53.050 0.006 0.000 0.936 109 N CB 2.002 40.530 38.487 0.069 0.000 1.570 109 N HN 0.665 nan 8.380 nan 0.000 0.504 110 A N 3.221 126.082 122.820 0.068 0.000 2.019 110 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 110 A C 1.349 179.066 177.584 0.222 0.000 1.164 110 A CA 1.378 53.494 52.037 0.133 0.000 0.644 110 A CB -0.336 18.716 19.000 0.087 0.000 0.805 110 A HN 0.844 nan 8.150 nan 0.000 0.449 111 N N -0.844 117.977 118.700 0.202 0.000 2.325 111 N HA 0.003 4.742 4.740 -0.000 0.000 0.182 111 N C 0.379 176.061 175.510 0.285 0.000 1.088 111 N CA 0.501 53.691 53.050 0.232 0.000 0.879 111 N CB 0.204 38.786 38.487 0.157 0.000 0.983 111 N HN 0.611 nan 8.380 nan 0.000 0.471 112 T N -0.999 113.733 114.554 0.297 0.000 2.788 112 T HA 0.254 4.604 4.350 -0.000 0.000 0.287 112 T C -0.121 174.898 174.700 0.533 0.000 1.007 112 T CA -0.281 61.995 62.100 0.294 0.000 1.005 112 T CB 0.614 69.700 68.868 0.363 0.000 1.012 112 T HN -0.183 nan 8.240 nan 0.000 0.530 113 F N 0.387 120.455 119.950 0.198 0.000 2.470 113 F HA 0.599 5.126 4.527 -0.000 0.000 0.329 113 F C 0.410 176.063 175.800 -0.245 0.000 1.072 113 F CA -2.071 55.895 58.000 -0.057 0.000 0.989 113 F CB 1.356 40.266 39.000 -0.150 0.000 1.193 113 F HN 0.653 nan 8.300 nan 0.000 0.481 114 V N 0.430 120.196 119.914 -0.246 0.000 2.667 114 V HA 0.682 4.802 4.120 -0.000 0.000 0.308 114 V C -0.770 174.988 176.094 -0.561 0.000 1.048 114 V CA -0.549 61.449 62.300 -0.503 0.000 0.928 114 V CB 1.885 33.377 31.823 -0.551 0.000 1.004 114 V HN 0.824 nan 8.190 nan 0.000 0.444 115 N N 2.338 120.506 118.700 -0.887 0.000 2.655 115 N HA 0.402 5.142 4.740 -0.000 0.000 0.277 115 N C -2.233 172.883 175.510 -0.657 0.000 1.177 115 N CA -0.169 52.522 53.050 -0.598 0.000 0.882 115 N CB 1.623 39.937 38.487 -0.289 0.000 1.481 115 N HN 0.793 nan 8.380 nan 0.000 0.547 116 Y N 0.141 120.390 120.300 -0.085 0.000 2.545 116 Y HA 0.426 4.976 4.550 -0.000 0.000 0.348 116 Y C 0.396 176.248 175.900 -0.079 0.000 1.002 116 Y CA -0.828 57.225 58.100 -0.079 0.000 1.039 116 Y CB 1.072 39.475 38.460 -0.095 0.000 1.271 116 Y HN 0.223 nan 8.280 nan 0.000 0.467 117 Q N 1.628 121.492 119.800 0.107 0.000 2.299 117 Q HA 0.600 4.940 4.340 -0.000 0.000 0.246 117 Q C -0.340 175.671 176.000 0.018 0.000 0.935 117 Q CA -0.231 55.591 55.803 0.032 0.000 0.887 117 Q CB 1.717 30.465 28.738 0.016 0.000 1.223 117 Q HN 0.889 nan 8.270 nan 0.000 0.439 118 S N -0.652 115.041 115.700 -0.012 0.000 2.636 118 S HA 0.179 4.649 4.470 -0.000 0.000 0.268 118 S C -0.887 173.692 174.600 -0.034 0.000 1.159 118 S CA -0.931 57.251 58.200 -0.030 0.000 0.815 118 S CB 1.027 64.200 63.200 -0.044 0.000 1.130 118 S HN 0.425 nan 8.310 nan 0.000 0.471 119 D N 1.479 121.856 120.400 -0.038 0.000 3.134 119 D HA 0.400 5.039 4.640 -0.000 0.000 0.248 119 D C 0.255 176.532 176.300 -0.039 0.000 1.273 119 D CA 0.318 54.297 54.000 -0.034 0.000 0.904 119 D CB -0.497 40.285 40.800 -0.031 0.000 1.089 119 D HN 0.780 nan 8.370 nan 0.000 0.478 120 T N -4.140 110.386 114.554 -0.046 0.000 2.812 120 T HA 0.309 4.659 4.350 -0.000 0.000 0.294 120 T C 1.147 175.817 174.700 -0.049 0.000 1.159 120 T CA -0.195 61.873 62.100 -0.053 0.000 1.008 120 T CB 1.068 69.887 68.868 -0.082 0.000 1.289 120 T HN -0.108 nan 8.240 nan 0.000 0.514 121 S N -0.062 115.614 115.700 -0.041 0.000 2.555 121 S HA 0.007 4.476 4.470 -0.000 0.000 0.230 121 S C 1.522 176.095 174.600 -0.044 0.000 0.978 121 S CA 0.253 58.438 58.200 -0.025 0.000 0.934 121 S CB -0.785 62.419 63.200 0.008 0.000 0.766 121 S HN 0.518 nan 8.310 nan 0.000 0.533 122 L N 1.892 123.052 121.223 -0.105 0.000 2.552 122 L HA 0.281 4.621 4.340 -0.000 0.000 0.227 122 L C 1.378 178.181 176.870 -0.112 0.000 1.146 122 L CA 0.321 55.063 54.840 -0.164 0.000 0.858 122 L CB -0.859 40.993 42.059 -0.345 0.000 0.969 122 L HN 0.257 nan 8.230 nan 0.000 0.451 123 S N 0.436 116.092 115.700 -0.074 0.000 2.555 123 S HA 0.288 4.758 4.470 -0.000 0.000 0.293 123 S C 1.457 176.025 174.600 -0.052 0.000 1.248 123 S CA 0.601 58.771 58.200 -0.051 0.000 1.096 123 S CB -0.340 62.838 63.200 -0.036 0.000 0.881 123 S HN 0.716 nan 8.310 nan 0.000 0.498 124 G N 3.340 112.105 108.800 -0.058 0.000 2.162 124 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.260 124 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.260 124 G C -0.017 174.829 174.900 -0.091 0.000 0.976 124 G CA 0.572 45.631 45.100 -0.068 0.000 0.655 124 G HN 0.820 nan 8.290 nan 0.000 0.533 125 Q N 0.725 120.462 119.800 -0.106 0.000 2.256 125 Q HA 0.596 4.936 4.340 -0.000 0.000 0.254 125 Q C -0.024 175.870 176.000 -0.177 0.000 0.916 125 Q CA -0.323 55.412 55.803 -0.114 0.000 0.932 125 Q CB 0.694 29.389 28.738 -0.072 0.000 1.207 125 Q HN 0.209 nan 8.270 nan 0.000 0.426 126 S N 2.283 117.847 115.700 -0.226 0.000 2.523 126 S HA 0.379 4.849 4.470 -0.000 0.000 0.275 126 S C -0.788 173.570 174.600 -0.403 0.000 1.281 126 S CA -0.574 57.407 58.200 -0.365 0.000 1.050 126 S CB 0.982 63.863 63.200 -0.532 0.000 0.937 126 S HN 0.462 nan 8.310 nan 0.000 0.492 127 V N 3.288 123.002 119.914 -0.334 0.000 2.638 127 V HA 0.412 4.532 4.120 -0.000 0.000 0.306 127 V C 0.497 176.503 176.094 -0.147 0.000 1.052 127 V CA -1.114 61.078 62.300 -0.179 0.000 0.885 127 V CB 2.018 33.841 31.823 -0.000 0.000 0.999 127 V HN 0.988 nan 8.190 nan 0.000 0.424 128 T N 0.823 115.341 114.554 -0.060 0.000 2.903 128 T HA 0.141 4.490 4.350 -0.000 0.000 0.314 128 T C 0.943 175.731 174.700 0.145 0.000 1.078 128 T CA 0.298 62.491 62.100 0.155 0.000 1.114 128 T CB 0.365 69.350 68.868 0.195 0.000 0.987 128 T HN 0.479 nan 8.240 nan 0.000 0.548 129 Y N 1.703 122.111 120.300 0.180 0.000 2.165 129 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 129 Y C 2.965 178.878 175.900 0.022 0.000 1.155 129 Y CA 2.153 60.325 58.100 0.120 0.000 1.164 129 Y CB -0.266 38.255 38.460 0.101 0.000 0.978 129 Y HN 0.727 nan 8.280 nan 0.000 0.513 130 R N 0.107 120.724 120.500 0.195 0.000 2.092 130 R HA -0.087 4.252 4.340 -0.000 0.000 0.231 130 R C 2.278 178.610 176.300 0.052 0.000 1.119 130 R CA 1.275 57.427 56.100 0.087 0.000 0.970 130 R CB -0.857 29.491 30.300 0.081 0.000 0.864 130 R HN 0.205 nan 8.270 nan 0.000 0.440 131 A N 1.651 124.517 122.820 0.077 0.000 1.873 131 A HA 0.070 4.390 4.320 -0.000 0.000 0.215 131 A C 2.550 180.207 177.584 0.121 0.000 1.186 131 A CA 1.390 53.471 52.037 0.074 0.000 0.616 131 A CB -0.745 18.295 19.000 0.067 0.000 0.823 131 A HN 0.522 nan 8.150 nan 0.000 0.442 132 A N -0.145 122.767 122.820 0.153 0.000 1.902 132 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 132 A C 2.124 179.811 177.584 0.170 0.000 1.181 132 A CA 1.847 54.020 52.037 0.226 0.000 0.623 132 A CB -0.422 18.758 19.000 0.300 0.000 0.818 132 A HN 0.533 nan 8.150 nan 0.000 0.443 133 K N -0.394 119.958 120.400 -0.081 0.000 2.057 133 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 133 K C 2.345 178.739 176.600 -0.343 0.000 1.050 133 K CA 1.049 57.022 56.287 -0.525 0.000 0.935 133 K CB -0.323 31.872 32.500 -0.508 0.000 0.715 133 K HN 0.431 nan 8.250 nan 0.000 0.439 134 A N 1.934 124.670 122.820 -0.140 0.000 1.908 134 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 134 A C 1.603 178.985 177.584 -0.337 0.000 1.181 134 A CA 2.062 54.014 52.037 -0.141 0.000 0.627 134 A CB -0.464 18.528 19.000 -0.014 0.000 0.818 134 A HN 0.182 nan 8.150 nan 0.000 0.445 135 D N -0.816 119.488 120.400 -0.160 0.000 2.097 135 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 135 D C 2.095 178.271 176.300 -0.205 0.000 0.984 135 D CA 1.805 55.697 54.000 -0.180 0.000 0.826 135 D CB -0.684 40.267 40.800 0.252 0.000 0.973 135 D HN 0.389 nan 8.370 nan 0.000 0.460 136 T N 0.483 114.978 114.554 -0.099 0.000 2.708 136 T HA -0.117 4.232 4.350 -0.000 0.000 0.266 136 T C 1.624 176.312 174.700 -0.020 0.000 1.037 136 T CA 0.844 62.917 62.100 -0.045 0.000 1.146 136 T CB -0.338 68.495 68.868 -0.058 0.000 0.865 136 T HN 0.056 nan 8.240 nan 0.000 0.435 137 F N 1.400 121.334 119.950 -0.027 0.000 2.367 137 F HA 0.239 4.766 4.527 -0.000 0.000 0.298 137 F C 2.540 178.198 175.800 -0.236 0.000 1.094 137 F CA -0.099 57.864 58.000 -0.062 0.000 1.409 137 F CB -1.395 37.449 39.000 -0.261 0.000 1.064 137 F HN 0.199 nan 8.300 nan 0.000 0.528 138 G N -0.646 107.873 108.800 -0.468 0.000 2.433 138 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 138 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 138 G C 1.459 176.096 174.900 -0.438 0.000 1.186 138 G CA 0.790 45.332 45.100 -0.930 0.000 0.779 138 G HN 0.276 nan 8.290 nan 0.000 0.543 139 Y N -0.105 120.075 120.300 -0.200 0.000 2.263 139 Y HA 0.090 4.640 4.550 -0.000 0.000 0.292 139 Y C 2.825 178.775 175.900 0.083 0.000 1.130 139 Y CA 1.007 59.129 58.100 0.036 0.000 1.179 139 Y CB -0.473 38.027 38.460 0.066 0.000 0.998 139 Y HN 0.166 nan 8.280 nan 0.000 0.532 140 M N -0.789 118.961 119.600 0.250 0.000 2.117 140 M HA -0.243 4.237 4.480 -0.000 0.000 0.262 140 M C 2.083 178.519 176.300 0.226 0.000 1.065 140 M CA 2.014 57.466 55.300 0.253 0.000 1.114 140 M CB -0.136 32.669 32.600 0.342 0.000 1.361 140 M HN 0.135 nan 8.290 nan 0.000 0.408 141 S N 0.343 116.174 115.700 0.219 0.000 2.368 141 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 141 S C 1.679 176.370 174.600 0.151 0.000 1.029 141 S CA 1.663 59.974 58.200 0.185 0.000 0.988 141 S CB -0.427 62.870 63.200 0.162 0.000 0.838 141 S HN 0.602 nan 8.310 nan 0.000 0.462 142 E N 1.098 121.393 120.200 0.159 0.000 2.077 142 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 142 E C 1.968 178.661 176.600 0.154 0.000 0.989 142 E CA 0.967 57.468 56.400 0.167 0.000 0.800 142 E CB -0.169 29.671 29.700 0.233 0.000 0.746 142 E HN 0.431 nan 8.360 nan 0.000 0.452 143 L N 0.378 121.700 121.223 0.166 0.000 2.056 143 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 143 L C 2.667 179.604 176.870 0.111 0.000 1.078 143 L CA 0.515 55.434 54.840 0.132 0.000 0.749 143 L CB -0.360 41.777 42.059 0.130 0.000 0.901 143 L HN 0.268 nan 8.230 nan 0.000 0.433 144 L N 0.134 121.429 121.223 0.121 0.000 2.156 144 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 144 L C 2.450 179.377 176.870 0.094 0.000 1.095 144 L CA 1.688 56.591 54.840 0.104 0.000 0.770 144 L CB -0.602 41.527 42.059 0.116 0.000 0.914 144 L HN 0.130 nan 8.230 nan 0.000 0.439 145 K N -0.378 120.083 120.400 0.101 0.000 2.097 145 K HA -0.234 4.086 4.320 -0.000 0.000 0.205 145 K C 2.264 178.909 176.600 0.074 0.000 1.050 145 K CA 1.450 57.790 56.287 0.087 0.000 0.938 145 K CB -0.060 32.494 32.500 0.089 0.000 0.718 145 K HN 0.314 nan 8.250 nan 0.000 0.442 146 K N 0.266 120.713 120.400 0.079 0.000 2.026 146 K HA -0.122 4.197 4.320 -0.000 0.000 0.208 146 K C 1.957 178.592 176.600 0.057 0.000 1.048 146 K CA 1.336 57.664 56.287 0.068 0.000 0.929 146 K CB -0.226 32.319 32.500 0.074 0.000 0.713 146 K HN 0.188 nan 8.250 nan 0.000 0.439 147 A N 0.569 123.425 122.820 0.059 0.000 1.902 147 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 147 A C 2.193 179.803 177.584 0.044 0.000 1.181 147 A CA 2.185 54.251 52.037 0.049 0.000 0.623 147 A CB -1.062 17.968 19.000 0.050 0.000 0.818 147 A HN 0.480 nan 8.150 nan 0.000 0.443 148 T N 0.192 114.775 114.554 0.049 0.000 2.708 148 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 148 T C 1.497 176.220 174.700 0.038 0.000 1.037 148 T CA 1.553 63.679 62.100 0.043 0.000 1.146 148 T CB -0.405 68.493 68.868 0.050 0.000 0.865 148 T HN 0.451 nan 8.240 nan 0.000 0.435 149 D N 1.158 121.583 120.400 0.042 0.000 2.178 149 D HA -0.047 4.592 4.640 -0.000 0.000 0.202 149 D C 2.267 178.586 176.300 0.032 0.000 0.974 149 D CA 0.867 54.889 54.000 0.037 0.000 0.841 149 D CB -0.256 40.568 40.800 0.040 0.000 0.953 149 D HN 0.449 nan 8.370 nan 0.000 0.478 150 Q N -0.675 119.144 119.800 0.033 0.000 2.369 150 Q HA 0.072 4.412 4.340 -0.000 0.000 0.206 150 Q C 1.095 177.109 176.000 0.024 0.000 0.963 150 Q CA 0.896 56.716 55.803 0.028 0.000 0.894 150 Q CB 0.311 29.067 28.738 0.030 0.000 0.965 150 Q HN 0.349 nan 8.270 nan 0.000 0.475 151 G N -0.524 108.291 108.800 0.025 0.000 2.131 151 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.223 151 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.223 151 G C 0.670 175.582 174.900 0.020 0.000 0.990 151 G CA 0.213 45.325 45.100 0.021 0.000 0.671 151 G HN 0.423 nan 8.290 nan 0.000 0.521 152 A N -0.565 122.269 122.820 0.023 0.000 2.067 152 A HA 0.452 4.772 4.320 -0.000 0.000 0.219 152 A C 1.897 179.493 177.584 0.020 0.000 1.158 152 A CA 1.553 53.603 52.037 0.022 0.000 0.661 152 A CB -0.112 18.904 19.000 0.026 0.000 0.801 152 A HN 0.912 nan 8.150 nan 0.000 0.452 153 L N -0.671 120.564 121.223 0.020 0.000 2.965 153 L HA 0.175 4.514 4.340 -0.000 0.000 0.254 153 L C 0.368 177.246 176.870 0.013 0.000 1.220 153 L CA -0.262 54.588 54.840 0.017 0.000 1.023 153 L CB 0.287 42.358 42.059 0.020 0.000 1.355 153 L HN 0.069 nan 8.230 nan 0.000 0.545 154 D N 0.333 120.741 120.400 0.013 0.000 2.264 154 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 154 D C 1.950 178.254 176.300 0.007 0.000 0.966 154 D CA 1.039 55.045 54.000 0.011 0.000 0.864 154 D CB 0.254 41.061 40.800 0.011 0.000 0.933 154 D HN 0.402 nan 8.370 nan 0.000 0.499 155 Q N -0.160 119.644 119.800 0.007 0.000 2.378 155 Q HA -0.012 4.328 4.340 -0.000 0.000 0.205 155 Q C 1.836 177.837 176.000 0.002 0.000 0.954 155 Q CA 0.710 56.516 55.803 0.004 0.000 0.901 155 Q CB 0.704 29.445 28.738 0.004 0.000 0.981 155 Q HN 0.339 nan 8.270 nan 0.000 0.483 156 V N -3.949 115.966 119.914 0.002 0.000 3.604 156 V HA 0.314 4.434 4.120 -0.000 0.000 0.277 156 V C 0.424 176.516 176.094 -0.003 0.000 1.399 156 V CA -0.096 62.203 62.300 -0.002 0.000 1.034 156 V CB 0.272 32.094 31.823 -0.002 0.000 0.824 156 V HN -0.011 nan 8.190 nan 0.000 0.439 157 L N 2.365 123.588 121.223 0.000 0.000 2.362 157 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 157 L C 0.442 177.313 176.870 0.002 0.000 0.998 157 L CA -0.366 54.474 54.840 -0.000 0.000 0.820 157 L CB 2.225 44.287 42.059 0.004 0.000 1.270 157 L HN 0.339 nan 8.230 nan 0.000 0.415 158 S N 2.037 117.737 115.700 0.000 0.000 2.634 158 S HA 0.237 4.706 4.470 -0.000 0.000 0.261 158 S C 1.055 175.659 174.600 0.006 0.000 1.271 158 S CA -0.416 57.785 58.200 0.002 0.000 0.985 158 S CB 1.286 64.486 63.200 -0.001 0.000 0.968 158 S HN 0.761 nan 8.310 nan 0.000 0.568 159 R N 0.487 120.991 120.500 0.007 0.000 2.091 159 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 159 R C 1.759 178.066 176.300 0.011 0.000 1.136 159 R CA 2.076 58.182 56.100 0.010 0.000 0.959 159 R CB -0.515 29.791 30.300 0.009 0.000 0.856 159 R HN 0.803 nan 8.270 nan 0.000 0.437 160 E N 0.445 120.649 120.200 0.007 0.000 2.106 160 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 160 E C 1.607 178.211 176.600 0.007 0.000 0.984 160 E CA 1.443 57.847 56.400 0.007 0.000 0.806 160 E CB -0.086 29.616 29.700 0.003 0.000 0.750 160 E HN 0.404 nan 8.360 nan 0.000 0.458 161 D N 0.737 121.138 120.400 0.002 0.000 2.097 161 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 161 D C 1.652 177.957 176.300 0.009 0.000 0.989 161 D CA 1.092 55.092 54.000 -0.001 0.000 0.827 161 D CB -0.168 40.628 40.800 -0.007 0.000 0.966 161 D HN 0.143 nan 8.370 nan 0.000 0.456 162 K N 0.467 120.876 120.400 0.015 0.000 2.063 162 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 162 K C 1.672 178.292 176.600 0.034 0.000 1.048 162 K CA 1.198 57.500 56.287 0.025 0.000 0.928 162 K CB 0.029 32.544 32.500 0.024 0.000 0.713 162 K HN 0.062 nan 8.250 nan 0.000 0.442 163 D N 0.506 120.923 120.400 0.029 0.000 2.144 163 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 163 D C 1.839 178.165 176.300 0.044 0.000 0.978 163 D CA 1.297 55.318 54.000 0.034 0.000 0.833 163 D CB -0.183 40.633 40.800 0.027 0.000 0.961 163 D HN 0.220 nan 8.370 nan 0.000 0.470 164 A N 0.647 123.489 122.820 0.037 0.000 1.898 164 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 164 A C 2.134 179.762 177.584 0.073 0.000 1.181 164 A CA 0.841 52.903 52.037 0.043 0.000 0.620 164 A CB -0.628 18.381 19.000 0.015 0.000 0.819 164 A HN 0.231 nan 8.150 nan 0.000 0.442 165 L N -0.024 121.236 121.223 0.062 0.000 2.056 165 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 165 L C 2.476 179.439 176.870 0.154 0.000 1.078 165 L CA 2.557 57.456 54.840 0.100 0.000 0.749 165 L CB -0.713 41.381 42.059 0.059 0.000 0.901 165 L HN 0.278 nan 8.230 nan 0.000 0.433 166 S N -0.493 115.270 115.700 0.105 0.000 2.370 166 S HA -0.265 4.205 4.470 -0.000 0.000 0.226 166 S C 1.859 176.518 174.600 0.098 0.000 1.033 166 S CA 1.534 59.791 58.200 0.095 0.000 1.011 166 S CB -0.391 62.850 63.200 0.067 0.000 0.852 166 S HN 0.621 nan 8.310 nan 0.000 0.457 167 E N 0.237 120.497 120.200 0.101 0.000 2.058 167 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 167 E C 1.889 178.559 176.600 0.118 0.000 0.997 167 E CA 1.272 57.728 56.400 0.094 0.000 0.801 167 E CB -0.246 29.508 29.700 0.090 0.000 0.746 167 E HN 0.521 nan 8.360 nan 0.000 0.450 168 F N 1.315 121.283 119.950 0.029 0.000 2.095 168 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 168 F C 1.912 177.761 175.800 0.083 0.000 1.104 168 F CA 1.459 59.480 58.000 0.034 0.000 1.232 168 F CB -0.238 38.751 39.000 -0.018 0.000 0.987 168 F HN 0.010 nan 8.300 nan 0.000 0.475 169 L N -0.585 120.641 121.223 0.005 0.000 2.083 169 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 169 L C 2.532 179.380 176.870 -0.036 0.000 1.083 169 L CA 1.367 56.185 54.840 -0.036 0.000 0.752 169 L CB -0.971 41.152 42.059 0.107 0.000 0.899 169 L HN 0.104 nan 8.230 nan 0.000 0.433 170 S N -0.404 115.293 115.700 -0.006 0.000 2.368 170 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 170 S C 1.594 176.176 174.600 -0.030 0.000 1.030 170 S CA 1.616 59.818 58.200 0.004 0.000 0.999 170 S CB -0.248 62.965 63.200 0.022 0.000 0.844 170 S HN 0.518 nan 8.310 nan 0.000 0.459 171 D N 0.741 121.101 120.400 -0.067 0.000 2.091 171 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 171 D C 1.719 177.942 176.300 -0.127 0.000 0.980 171 D CA 0.952 54.905 54.000 -0.079 0.000 0.831 171 D CB -0.421 40.344 40.800 -0.059 0.000 0.987 171 D HN 0.291 nan 8.370 nan 0.000 0.460 172 F N 0.614 120.288 119.950 -0.460 0.000 2.171 172 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 172 F C 2.145 177.803 175.800 -0.236 0.000 1.090 172 F CA 1.979 59.690 58.000 -0.483 0.000 1.293 172 F CB -0.250 38.176 39.000 -0.956 0.000 1.013 172 F HN 0.088 nan 8.300 nan 0.000 0.486 173 G N -1.346 107.375 108.800 -0.132 0.000 2.939 173 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.210 173 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.210 173 G C -0.057 174.805 174.900 -0.063 0.000 1.160 173 G CA 0.541 45.566 45.100 -0.126 0.000 0.770 173 G HN 0.321 nan 8.290 nan 0.000 0.543 174 D N -0.336 120.038 120.400 -0.043 0.000 2.697 174 D HA -0.159 4.481 4.640 -0.000 0.000 0.238 174 D C 0.445 176.791 176.300 0.078 0.000 1.152 174 D CA 0.306 54.316 54.000 0.017 0.000 0.666 174 D CB -1.451 39.367 40.800 0.030 0.000 1.037 174 D HN 0.289 nan 8.370 nan 0.000 0.423 175 L N 0.208 121.468 121.223 0.061 0.000 2.453 175 L HA 0.302 4.642 4.340 -0.000 0.000 0.261 175 L C 1.637 178.528 176.870 0.035 0.000 1.179 175 L CA -0.449 54.436 54.840 0.075 0.000 0.813 175 L CB 0.909 43.011 42.059 0.072 0.000 1.110 175 L HN 0.257 nan 8.230 nan 0.000 0.466 176 S N -0.358 115.356 115.700 0.022 0.000 2.598 176 S HA -0.009 4.460 4.470 -0.000 0.000 0.256 176 S C 0.622 175.230 174.600 0.014 0.000 1.350 176 S CA -0.510 57.692 58.200 0.004 0.000 0.984 176 S CB 0.652 63.849 63.200 -0.006 0.000 0.930 176 S HN 0.609 nan 8.310 nan 0.000 0.577 177 D N 1.027 121.432 120.400 0.007 0.000 2.182 177 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 177 D C 1.143 177.454 176.300 0.018 0.000 0.986 177 D CA 1.605 55.612 54.000 0.012 0.000 0.847 177 D CB -0.437 40.367 40.800 0.006 0.000 0.942 177 D HN 0.867 nan 8.370 nan 0.000 0.467 178 D N -1.219 119.192 120.400 0.018 0.000 2.325 178 D HA 0.173 4.813 4.640 -0.000 0.000 0.225 178 D C 1.236 177.557 176.300 0.036 0.000 1.096 178 D CA 0.370 54.385 54.000 0.024 0.000 0.844 178 D CB -0.142 40.670 40.800 0.020 0.000 0.925 178 D HN 0.149 nan 8.370 nan 0.000 0.513 179 G N 0.356 109.181 108.800 0.042 0.000 2.132 179 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.228 179 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.228 179 G C -0.009 174.938 174.900 0.079 0.000 1.000 179 G CA -0.323 44.812 45.100 0.058 0.000 0.693 179 G HN 0.439 nan 8.290 nan 0.000 0.515 180 R N -0.959 119.585 120.500 0.072 0.000 2.664 180 R HA 0.498 4.838 4.340 -0.000 0.000 0.286 180 R C -0.783 175.578 176.300 0.101 0.000 0.967 180 R CA -0.996 55.162 56.100 0.097 0.000 0.933 180 R CB 1.469 31.809 30.300 0.066 0.000 1.146 180 R HN 0.169 nan 8.270 nan 0.000 0.468 181 Y N 3.322 123.619 120.300 -0.005 0.000 2.452 181 Y HA 0.177 4.726 4.550 -0.000 0.000 0.348 181 Y C 0.068 175.907 175.900 -0.101 0.000 0.985 181 Y CA -0.289 57.737 58.100 -0.123 0.000 1.214 181 Y CB 0.368 38.621 38.460 -0.345 0.000 1.136 181 Y HN 0.515 nan 8.280 nan 0.000 0.523 182 L N 6.133 126.971 121.223 -0.641 0.000 3.014 182 L HA 0.470 4.810 4.340 -0.000 0.000 0.263 182 L C 0.752 177.231 176.870 -0.652 0.000 1.207 182 L CA 0.181 54.718 54.840 -0.504 0.000 1.017 182 L CB -0.270 41.648 42.059 -0.235 0.000 1.360 182 L HN 0.950 nan 8.230 nan 0.000 0.560 183 G N 0.076 108.134 108.800 -1.237 0.000 2.525 183 G HA2 0.020 3.979 3.960 -0.000 0.000 0.685 183 G HA3 0.020 3.979 3.960 -0.000 0.000 0.685 183 G C -0.881 173.828 174.900 -0.319 0.000 1.290 183 G CA -0.166 44.516 45.100 -0.697 0.000 0.915 183 G HN 0.117 nan 8.290 nan 0.000 0.548 184 S N -1.881 113.739 115.700 -0.133 0.000 2.558 184 S HA 0.662 5.132 4.470 -0.000 0.000 0.277 184 S C 1.278 175.808 174.600 -0.118 0.000 1.143 184 S CA 0.831 59.000 58.200 -0.052 0.000 0.865 184 S CB 1.034 64.281 63.200 0.077 0.000 1.102 184 S HN 2.389 nan 8.310 nan 0.000 0.454 185 S N 3.160 118.796 115.700 -0.107 0.000 2.442 185 S HA -0.100 4.370 4.470 -0.000 0.000 0.236 185 S C 1.486 176.021 174.600 -0.109 0.000 1.007 185 S CA 0.791 58.895 58.200 -0.161 0.000 0.965 185 S CB -0.437 62.788 63.200 0.043 0.000 0.773 185 S HN 0.742 nan 8.310 nan 0.000 0.504 186 R N 1.111 121.583 120.500 -0.046 0.000 2.241 186 R HA 0.109 4.449 4.340 -0.000 0.000 0.224 186 R C 2.427 178.709 176.300 -0.029 0.000 1.101 186 R CA 1.067 57.155 56.100 -0.019 0.000 0.995 186 R CB -0.254 30.036 30.300 -0.017 0.000 0.870 186 R HN 0.498 nan 8.270 nan 0.000 0.463 187 R N 0.257 120.715 120.500 -0.070 0.000 2.189 187 R HA 0.060 4.400 4.340 -0.000 0.000 0.218 187 R C 0.967 177.215 176.300 -0.086 0.000 1.074 187 R CA 0.598 56.659 56.100 -0.065 0.000 0.991 187 R CB 0.021 30.268 30.300 -0.087 0.000 0.883 187 R HN 0.311 nan 8.270 nan 0.000 0.457 188 G N -0.134 108.568 108.800 -0.164 0.000 2.660 188 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.247 188 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.247 188 G C -1.283 173.401 174.900 -0.360 0.000 1.328 188 G CA -0.809 44.221 45.100 -0.117 0.000 0.884 188 G HN 0.186 nan 8.290 nan 0.000 0.531 189 Y N -0.478 119.830 120.300 0.014 0.000 2.477 189 Y HA 0.531 5.081 4.550 -0.000 0.000 0.347 189 Y C 1.023 176.928 175.900 0.008 0.000 0.981 189 Y CA 0.008 58.113 58.100 0.009 0.000 1.033 189 Y CB 2.320 40.790 38.460 0.016 0.000 1.245 189 Y HN 0.749 nan 8.280 nan 0.000 0.455 190 D N 0.508 120.984 120.400 0.126 0.000 2.123 190 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 190 D C 0.237 176.594 176.300 0.096 0.000 0.976 190 D CA 1.116 55.163 54.000 0.079 0.000 0.831 190 D CB 0.390 41.211 40.800 0.035 0.000 0.974 190 D HN 0.255 nan 8.370 nan 0.000 0.469 191 S N -0.483 115.290 115.700 0.122 0.000 2.478 191 S HA 0.330 4.800 4.470 -0.000 0.000 0.312 191 S C -0.942 173.703 174.600 0.074 0.000 1.094 191 S CA -0.745 57.504 58.200 0.081 0.000 1.081 191 S CB 1.362 64.594 63.200 0.054 0.000 1.007 191 S HN 0.143 nan 8.310 nan 0.000 0.475 192 E N 4.548 124.755 120.200 0.012 0.000 2.376 192 E HA 0.303 4.653 4.350 -0.000 0.000 0.266 192 E C -2.439 174.058 176.600 -0.172 0.000 1.009 192 E CA -1.455 54.894 56.400 -0.086 0.000 0.902 192 E CB 0.472 30.141 29.700 -0.053 0.000 0.972 192 E HN 0.286 nan 8.360 nan 0.000 0.439 193 P HA 0.134 nan 4.420 nan 0.000 0.264 193 P C -0.377 176.826 177.300 -0.161 0.000 1.193 193 P CA 0.167 63.111 63.100 -0.259 0.000 0.763 193 P CB 1.271 32.746 31.700 -0.375 0.000 0.810 194 G N 1.476 110.202 108.800 -0.124 0.000 3.234 194 G HA2 0.689 4.649 3.960 -0.000 0.000 0.159 194 G HA3 0.689 4.649 3.960 -0.000 0.000 0.159 194 G C -1.047 173.791 174.900 -0.103 0.000 1.175 194 G CA -0.346 44.692 45.100 -0.104 0.000 0.900 194 G HN 0.594 nan 8.290 nan 0.000 0.621 195 A N -1.862 120.896 122.820 -0.103 0.000 2.269 195 A HA 0.766 5.086 4.320 -0.000 0.000 0.319 195 A C 1.172 178.670 177.584 -0.143 0.000 1.110 195 A CA 0.902 52.881 52.037 -0.097 0.000 0.847 195 A CB 0.262 19.218 19.000 -0.072 0.000 1.161 195 A HN 2.545 nan 8.150 nan 0.000 0.497 196 G N -0.652 108.074 108.800 -0.123 0.000 2.591 196 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.298 196 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.298 196 G C 0.504 175.216 174.900 -0.314 0.000 1.195 196 G CA 0.595 45.603 45.100 -0.153 0.000 0.989 196 G HN 1.269 nan 8.290 nan 0.000 0.551 197 L N 1.367 122.339 121.223 -0.418 0.000 2.653 197 L HA 0.266 4.606 4.340 -0.000 0.000 0.232 197 L C 0.979 177.240 176.870 -1.015 0.000 1.169 197 L CA 0.019 54.335 54.840 -0.873 0.000 0.951 197 L CB -0.232 41.568 42.059 -0.431 0.000 1.181 197 L HN 0.374 nan 8.230 nan 0.000 0.460 198 N N 0.433 118.758 118.700 -0.626 0.000 2.968 198 N HA 0.066 4.806 4.740 -0.000 0.000 0.271 198 N C 0.671 175.985 175.510 -0.326 0.000 1.174 198 N CA -0.194 52.625 53.050 -0.384 0.000 1.096 198 N CB 0.077 38.438 38.487 -0.211 0.000 1.403 198 N HN 0.013 nan 8.380 nan 0.000 0.522 199 F N 0.966 120.898 119.950 -0.029 0.000 2.407 199 F HA 0.224 4.751 4.527 -0.000 0.000 0.299 199 F C 2.003 177.775 175.800 -0.048 0.000 1.097 199 F CA 0.682 58.663 58.000 -0.032 0.000 1.422 199 F CB -0.754 38.246 39.000 -0.001 0.000 1.067 199 F HN 0.426 nan 8.300 nan 0.000 0.539 200 G N 0.167 109.027 108.800 0.100 0.000 2.760 200 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.246 200 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.246 200 G C -0.385 174.645 174.900 0.216 0.000 1.359 200 G CA -0.494 44.658 45.100 0.087 0.000 0.861 200 G HN 0.558 nan 8.290 nan 0.000 0.541 201 T N -2.089 112.640 114.554 0.292 0.000 2.985 201 T HA 0.638 4.988 4.350 -0.000 0.000 0.315 201 T C -0.323 174.498 174.700 0.202 0.000 1.001 201 T CA -0.362 61.866 62.100 0.213 0.000 1.016 201 T CB 1.867 70.802 68.868 0.112 0.000 0.993 201 T HN 0.734 nan 8.240 nan 0.000 0.454 202 E N 2.337 122.570 120.200 0.055 0.000 2.413 202 E HA 0.087 4.437 4.350 -0.000 0.000 0.263 202 E C 0.032 176.520 176.600 -0.186 0.000 1.015 202 E CA -0.113 56.123 56.400 -0.273 0.000 0.916 202 E CB 0.716 30.253 29.700 -0.273 0.000 0.947 202 E HN 0.485 nan 8.360 nan 0.000 0.440 203 K N 3.374 123.632 120.400 -0.236 0.000 2.379 203 K HA 0.088 4.408 4.320 -0.000 0.000 0.284 203 K C -0.115 176.367 176.600 -0.196 0.000 1.044 203 K CA 0.140 56.320 56.287 -0.179 0.000 0.974 203 K CB 0.652 33.053 32.500 -0.165 0.000 0.962 203 K HN 0.226 nan 8.250 nan 0.000 0.474 204 K N 3.734 124.019 120.400 -0.191 0.000 2.202 204 K HA 0.189 4.509 4.320 -0.000 0.000 0.264 204 K C -2.078 174.377 176.600 -0.242 0.000 1.010 204 K CA -1.574 54.598 56.287 -0.192 0.000 0.940 204 K CB 0.338 32.744 32.500 -0.157 0.000 0.983 204 K HN 0.411 nan 8.250 nan 0.000 0.475 205 P HA 0.113 nan 4.420 nan 0.000 0.277 205 P C -0.726 176.533 177.300 -0.069 0.000 1.240 205 P CA -0.276 62.767 63.100 -0.095 0.000 0.798 205 P CB 0.453 32.130 31.700 -0.038 0.000 0.979 206 F N 0.424 120.462 119.950 0.147 0.000 2.444 206 F HA 0.344 4.871 4.527 -0.000 0.000 0.331 206 F C 1.515 177.461 175.800 0.245 0.000 1.167 206 F CA -0.009 58.079 58.000 0.147 0.000 1.262 206 F CB -0.092 38.981 39.000 0.121 0.000 1.196 206 F HN 0.326 nan 8.300 nan 0.000 0.583 207 A N 2.714 125.738 122.820 0.341 0.000 2.332 207 A HA 0.252 4.572 4.320 -0.000 0.000 0.258 207 A C 1.320 178.846 177.584 -0.095 0.000 1.087 207 A CA -0.494 51.630 52.037 0.145 0.000 0.802 207 A CB 0.201 19.237 19.000 0.060 0.000 1.042 207 A HN 1.025 nan 8.150 nan 0.000 0.489 208 M N 0.012 119.244 119.600 -0.614 0.000 2.080 208 M HA -0.249 4.231 4.480 -0.000 0.000 0.260 208 M C 2.008 178.108 176.300 -0.333 0.000 1.068 208 M CA 2.229 56.966 55.300 -0.938 0.000 1.109 208 M CB -0.273 31.758 32.600 -0.948 0.000 1.342 208 M HN 0.930 nan 8.290 nan 0.000 0.405 209 Q N 0.289 119.966 119.800 -0.205 0.000 2.124 209 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 209 Q C 1.760 177.706 176.000 -0.090 0.000 0.977 209 Q CA 2.127 57.861 55.803 -0.116 0.000 0.850 209 Q CB -0.119 28.572 28.738 -0.078 0.000 0.901 209 Q HN 0.617 nan 8.270 nan 0.000 0.429 210 E N -0.705 119.452 120.200 -0.072 0.000 2.051 210 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 210 E C 1.991 178.515 176.600 -0.128 0.000 0.991 210 E CA 1.482 57.830 56.400 -0.087 0.000 0.799 210 E CB -0.045 29.628 29.700 -0.045 0.000 0.748 210 E HN 0.146 nan 8.360 nan 0.000 0.449 211 V N 1.545 121.414 119.914 -0.075 0.000 2.255 211 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 211 V C 2.292 178.344 176.094 -0.071 0.000 1.051 211 V CA 1.708 63.981 62.300 -0.046 0.000 1.018 211 V CB -0.419 31.476 31.823 0.120 0.000 0.641 211 V HN 0.266 nan 8.190 nan 0.000 0.445 212 I N -0.476 120.055 120.570 -0.066 0.000 2.179 212 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 212 I C 2.653 178.724 176.117 -0.077 0.000 1.088 212 I CA 1.649 62.911 61.300 -0.063 0.000 1.357 212 I CB -0.385 37.583 38.000 -0.054 0.000 1.051 212 I HN 0.205 nan 8.210 nan 0.000 0.409 213 R N 0.403 120.855 120.500 -0.080 0.000 2.236 213 R HA -0.047 4.293 4.340 -0.000 0.000 0.208 213 R C 2.341 178.588 176.300 -0.088 0.000 1.036 213 R CA 1.245 57.299 56.100 -0.076 0.000 1.001 213 R CB -0.166 30.095 30.300 -0.066 0.000 0.896 213 R HN 0.439 nan 8.270 nan 0.000 0.464 214 S N -0.555 115.079 115.700 -0.109 0.000 2.470 214 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 214 S C 1.490 176.025 174.600 -0.108 0.000 1.006 214 S CA 0.400 58.533 58.200 -0.111 0.000 0.934 214 S CB 0.305 63.407 63.200 -0.163 0.000 0.778 214 S HN 0.411 nan 8.310 nan 0.000 0.517 215 G N 1.473 110.190 108.800 -0.140 0.000 2.221 215 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.265 215 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.265 215 G C 0.330 175.073 174.900 -0.262 0.000 1.041 215 G CA 0.447 45.422 45.100 -0.209 0.000 0.807 215 G HN 0.624 nan 8.290 nan 0.000 0.502 216 I N -0.195 120.275 120.570 -0.167 0.000 2.756 216 I HA 0.103 4.273 4.170 -0.000 0.000 0.262 216 I C 2.192 178.099 176.117 -0.350 0.000 1.225 216 I CA 1.568 62.822 61.300 -0.078 0.000 1.472 216 I CB 0.031 37.989 38.000 -0.069 0.000 1.094 216 I HN 0.266 nan 8.210 nan 0.000 0.454 217 G N 0.607 109.013 108.800 -0.656 0.000 3.284 217 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.236 217 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.236 217 G C 1.448 175.799 174.900 -0.915 0.000 1.158 217 G CA -0.183 44.001 45.100 -1.527 0.000 0.774 217 G HN 0.451 nan 8.290 nan 0.000 0.545 218 R N -0.143 120.032 120.500 -0.543 0.000 2.193 218 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 218 R C 1.482 177.685 176.300 -0.160 0.000 1.110 218 R CA 1.448 57.345 56.100 -0.338 0.000 0.988 218 R CB -0.256 29.780 30.300 -0.440 0.000 0.871 218 R HN 0.214 nan 8.270 nan 0.000 0.458 219 N N -0.563 118.093 118.700 -0.072 0.000 2.236 219 N HA 0.068 4.808 4.740 -0.000 0.000 0.196 219 N C 0.381 176.134 175.510 0.405 0.000 1.114 219 N CA -0.068 53.102 53.050 0.200 0.000 0.859 219 N CB 0.155 38.830 38.487 0.314 0.000 0.982 219 N HN 0.054 nan 8.380 nan 0.000 0.493 220 F N 0.789 120.850 119.950 0.186 0.000 2.171 220 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 220 F C 2.578 178.340 175.800 -0.064 0.000 1.090 220 F CA 0.893 58.969 58.000 0.127 0.000 1.293 220 F CB -1.289 37.800 39.000 0.147 0.000 1.013 220 F HN 0.108 nan 8.300 nan 0.000 0.486 221 S N -0.280 115.534 115.700 0.189 0.000 2.507 221 S HA -0.215 4.254 4.470 -0.000 0.000 0.235 221 S C 1.943 176.594 174.600 0.085 0.000 0.988 221 S CA 0.297 58.525 58.200 0.047 0.000 0.944 221 S CB -1.557 61.805 63.200 0.271 0.000 0.762 221 S HN 0.326 nan 8.310 nan 0.000 0.526 222 F N 3.271 123.251 119.950 0.050 0.000 2.202 222 F HA -0.134 4.393 4.527 -0.000 0.000 0.301 222 F C 1.472 177.294 175.800 0.037 0.000 1.082 222 F CA 1.825 59.874 58.000 0.083 0.000 1.313 222 F CB -0.443 38.630 39.000 0.122 0.000 1.024 222 F HN 0.136 nan 8.300 nan 0.000 0.495 223 D N -0.087 120.315 120.400 0.003 0.000 2.218 223 D HA -0.176 4.463 4.640 -0.000 0.000 0.204 223 D C 1.772 178.056 176.300 -0.026 0.000 0.976 223 D CA 1.237 55.184 54.000 -0.089 0.000 0.853 223 D CB -0.420 40.262 40.800 -0.197 0.000 0.939 223 D HN 0.331 nan 8.370 nan 0.000 0.481 224 F N 0.508 120.476 119.950 0.029 0.000 2.776 224 F HA 0.273 4.799 4.527 -0.000 0.000 0.300 224 F C 1.840 177.624 175.800 -0.027 0.000 1.116 224 F CA -0.664 57.348 58.000 0.019 0.000 1.375 224 F CB -0.864 38.178 39.000 0.069 0.000 1.109 224 F HN -0.249 nan 8.300 nan 0.000 0.585 225 G N -0.379 108.447 108.800 0.043 0.000 2.321 225 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.237 225 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.237 225 G C 0.658 175.554 174.900 -0.006 0.000 1.282 225 G CA -0.148 44.945 45.100 -0.012 0.000 0.886 225 G HN 0.328 nan 8.290 nan 0.000 0.528 226 Y N 1.776 122.042 120.300 -0.056 0.000 2.193 226 Y HA -0.234 4.315 4.550 -0.000 0.000 0.285 226 Y C 2.141 177.926 175.900 -0.192 0.000 1.166 226 Y CA 2.434 60.476 58.100 -0.097 0.000 1.181 226 Y CB 0.207 38.616 38.460 -0.086 0.000 0.976 226 Y HN 0.630 nan 8.280 nan 0.000 0.520 227 D N -2.053 118.141 120.400 -0.344 0.000 2.342 227 D HA 0.025 4.665 4.640 -0.000 0.000 0.221 227 D C 1.167 177.222 176.300 -0.408 0.000 1.101 227 D CA 0.222 53.840 54.000 -0.636 0.000 0.837 227 D CB -0.018 40.314 40.800 -0.780 0.000 0.938 227 D HN 0.337 nan 8.370 nan 0.000 0.508 228 Q N -0.113 119.520 119.800 -0.277 0.000 2.254 228 Q HA 0.320 4.660 4.340 -0.000 0.000 0.259 228 Q C 0.573 176.462 176.000 -0.186 0.000 0.815 228 Q CA 0.089 55.752 55.803 -0.234 0.000 0.961 228 Q CB 0.787 29.163 28.738 -0.603 0.000 1.140 228 Q HN 0.303 nan 8.270 nan 0.000 0.502 229 A N 2.236 124.953 122.820 -0.171 0.000 2.531 229 A HA 0.178 4.497 4.320 -0.000 0.000 0.236 229 A C 0.619 178.173 177.584 -0.050 0.000 1.062 229 A CA 0.091 52.088 52.037 -0.067 0.000 0.760 229 A CB 0.088 19.080 19.000 -0.013 0.000 0.995 229 A HN 0.120 nan 8.150 nan 0.000 0.501 230 M N 2.428 122.028 119.600 0.001 0.000 2.248 230 M HA 0.120 4.600 4.480 -0.000 0.000 0.337 230 M C 0.270 176.575 176.300 0.008 0.000 1.121 230 M CA 0.495 55.792 55.300 -0.004 0.000 1.155 230 M CB 0.137 32.744 32.600 0.011 0.000 1.514 230 M HN 0.568 nan 8.290 nan 0.000 0.452 231 M N 3.024 122.641 119.600 0.028 0.000 2.249 231 M HA 0.408 4.888 4.480 -0.000 0.000 0.351 231 M C -0.188 176.048 176.300 -0.108 0.000 1.180 231 M CA 0.088 55.369 55.300 -0.031 0.000 1.127 231 M CB 1.080 33.747 32.600 0.112 0.000 1.546 231 M HN 0.517 nan 8.290 nan 0.000 0.461 232 M N 2.216 121.603 119.600 -0.354 0.000 2.664 232 M HA 0.627 5.107 4.480 -0.000 0.000 0.314 232 M C -1.079 174.700 176.300 -0.869 0.000 1.200 232 M CA -0.344 54.763 55.300 -0.322 0.000 0.916 232 M CB 1.952 34.531 32.600 -0.036 0.000 1.717 232 M HN 0.469 nan 8.290 nan 0.000 0.470 233 F N -0.833 119.143 119.950 0.043 0.000 2.629 233 F HA 0.731 5.258 4.527 -0.000 0.000 0.316 233 F C 0.166 175.966 175.800 0.001 0.000 1.081 233 F CA -0.571 57.454 58.000 0.043 0.000 0.954 233 F CB 2.239 41.246 39.000 0.012 0.000 1.337 233 F HN 0.475 nan 8.300 nan 0.000 0.474 234 T N 1.353 115.992 114.554 0.142 0.000 2.885 234 T HA 0.482 4.832 4.350 -0.000 0.000 0.322 234 T C -3.147 171.614 174.700 0.101 0.000 1.387 234 T CA -1.740 60.392 62.100 0.054 0.000 1.041 234 T CB 2.030 70.827 68.868 -0.119 0.000 1.287 234 T HN 0.123 nan 8.240 nan 0.000 0.491 235 P HA 0.267 nan 4.420 nan 0.000 0.271 235 P C -0.588 176.785 177.300 0.121 0.000 1.216 235 P CA -0.401 62.751 63.100 0.088 0.000 0.771 235 P CB 0.447 32.175 31.700 0.047 0.000 0.864 236 V N 3.704 123.680 119.914 0.103 0.000 2.493 236 V HA 0.227 4.347 4.120 -0.000 0.000 0.292 236 V C 1.664 177.780 176.094 0.037 0.000 1.016 236 V CA 1.846 64.217 62.300 0.119 0.000 1.097 236 V CB -0.585 31.281 31.823 0.072 0.000 0.947 236 V HN 1.037 nan 8.190 nan 0.000 0.479 237 G N 3.221 112.051 108.800 0.050 0.000 2.176 237 G HA2 0.178 4.138 3.960 -0.000 0.000 0.253 237 G HA3 0.178 4.138 3.960 -0.000 0.000 0.253 237 G C 0.655 175.023 174.900 -0.886 0.000 0.979 237 G CA -0.161 44.773 45.100 -0.277 0.000 0.641 237 G HN 2.368 nan 8.290 nan 0.000 0.530 238 G N -2.201 106.224 108.800 -0.625 0.000 2.528 238 G HA2 0.339 4.299 3.960 -0.000 0.000 0.681 238 G HA3 0.339 4.299 3.960 -0.000 0.000 0.681 238 G C 0.223 175.081 174.900 -0.071 0.000 1.340 238 G CA 0.300 45.087 45.100 -0.522 0.000 0.855 238 G HN 1.256 nan 8.290 nan 0.000 0.649 239 M N 1.322 120.976 119.600 0.089 0.000 2.296 239 M HA 0.031 4.511 4.480 -0.000 0.000 0.265 239 M C 2.257 178.685 176.300 0.214 0.000 1.064 239 M CA 2.626 58.025 55.300 0.165 0.000 1.109 239 M CB -0.335 32.399 32.600 0.222 0.000 1.396 239 M HN 0.728 nan 8.290 nan 0.000 0.430 240 D N -0.816 119.725 120.400 0.235 0.000 2.309 240 D HA -0.201 4.439 4.640 -0.000 0.000 0.212 240 D C 1.658 178.163 176.300 0.341 0.000 0.968 240 D CA 1.056 55.279 54.000 0.371 0.000 0.882 240 D CB -0.717 40.336 40.800 0.421 0.000 0.918 240 D HN 0.438 nan 8.370 nan 0.000 0.503 241 R N 0.026 120.624 120.500 0.162 0.000 2.152 241 R HA 0.039 4.379 4.340 -0.000 0.000 0.232 241 R C 2.390 178.678 176.300 -0.021 0.000 1.117 241 R CA 0.766 56.922 56.100 0.094 0.000 0.981 241 R CB -0.299 29.990 30.300 -0.017 0.000 0.870 241 R HN 0.313 nan 8.270 nan 0.000 0.451 242 I N -0.446 120.019 120.570 -0.174 0.000 2.208 242 I HA -0.297 3.872 4.170 -0.000 0.000 0.245 242 I C 1.487 177.248 176.117 -0.593 0.000 1.097 242 I CA 1.511 62.511 61.300 -0.501 0.000 1.363 242 I CB -0.208 37.337 38.000 -0.758 0.000 1.051 242 I HN 0.133 nan 8.210 nan 0.000 0.413 243 Y N -1.270 119.123 120.300 0.155 0.000 2.448 243 Y HA -0.046 4.504 4.550 -0.000 0.000 0.289 243 Y C 2.172 178.100 175.900 0.047 0.000 1.114 243 Y CA 0.372 58.567 58.100 0.159 0.000 1.235 243 Y CB -0.767 37.725 38.460 0.053 0.000 1.045 243 Y HN 0.039 nan 8.280 nan 0.000 0.554 244 Y N -0.372 120.003 120.300 0.126 0.000 2.293 244 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 244 Y C 2.496 178.424 175.900 0.046 0.000 1.137 244 Y CA 1.013 59.165 58.100 0.086 0.000 1.202 244 Y CB -0.606 37.876 38.460 0.036 0.000 0.990 244 Y HN 0.101 nan 8.280 nan 0.000 0.537 245 A N -0.454 122.421 122.820 0.092 0.000 1.898 245 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 245 A C 1.916 179.486 177.584 -0.023 0.000 1.181 245 A CA 1.231 53.253 52.037 -0.025 0.000 0.620 245 A CB -1.135 17.761 19.000 -0.172 0.000 0.819 245 A HN 0.375 nan 8.150 nan 0.000 0.442 246 F N 0.252 120.129 119.950 -0.122 0.000 2.095 246 F HA -0.237 4.290 4.527 0.000 0.000 0.298 246 F C 2.657 178.474 175.800 0.028 0.000 1.104 246 F CA 1.933 59.859 58.000 -0.123 0.000 1.232 246 F CB -0.610 38.301 39.000 -0.149 0.000 0.987 246 F HN 0.393 nan 8.300 nan 0.000 0.475 247 Q N 0.378 120.333 119.800 0.258 0.000 2.077 247 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 247 Q C 1.607 177.728 176.000 0.201 0.000 0.989 247 Q CA 2.187 58.120 55.803 0.218 0.000 0.853 247 Q CB -0.240 28.629 28.738 0.218 0.000 0.907 247 Q HN 0.318 nan 8.270 nan 0.000 0.418 248 D N -0.359 120.149 120.400 0.180 0.000 2.178 248 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 248 D C 1.962 178.354 176.300 0.153 0.000 0.974 248 D CA 0.664 54.753 54.000 0.149 0.000 0.841 248 D CB -0.065 40.806 40.800 0.117 0.000 0.953 248 D HN 0.207 nan 8.370 nan 0.000 0.478 249 R N 0.270 120.886 120.500 0.194 0.000 2.090 249 R HA 0.077 4.417 4.340 -0.000 0.000 0.228 249 R C 2.461 178.916 176.300 0.257 0.000 1.110 249 R CA 0.268 56.523 56.100 0.257 0.000 0.973 249 R CB -0.470 30.080 30.300 0.418 0.000 0.869 249 R HN 0.308 nan 8.270 nan 0.000 0.440 250 I N -0.033 120.697 120.570 0.267 0.000 2.353 250 I HA -0.065 4.105 4.170 -0.000 0.000 0.248 250 I C 0.730 176.921 176.117 0.124 0.000 1.119 250 I CA 0.987 62.404 61.300 0.194 0.000 1.417 250 I CB -0.247 37.856 38.000 0.170 0.000 1.078 250 I HN 0.274 nan 8.210 nan 0.000 0.421 251 G N 0.889 109.765 108.800 0.127 0.000 3.190 251 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 251 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 251 G C 0.548 175.506 174.900 0.098 0.000 1.033 251 G CA -0.109 45.052 45.100 0.103 0.000 0.797 251 G HN 0.260 nan 8.290 nan 0.000 0.567 252 T N -1.022 113.605 114.554 0.120 0.000 3.025 252 T HA -0.042 4.307 4.350 -0.000 0.000 0.270 252 T C 1.493 176.245 174.700 0.088 0.000 1.126 252 T CA 1.888 64.074 62.100 0.143 0.000 1.105 252 T CB -0.013 68.970 68.868 0.192 0.000 0.884 252 T HN 0.438 nan 8.240 nan 0.000 0.522 253 D N 1.933 122.372 120.400 0.066 0.000 2.263 253 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 253 D C 1.489 177.801 176.300 0.020 0.000 0.971 253 D CA 0.687 54.714 54.000 0.044 0.000 0.867 253 D CB -0.217 40.608 40.800 0.042 0.000 0.929 253 D HN 0.469 nan 8.370 nan 0.000 0.492 254 N N -0.102 118.604 118.700 0.010 0.000 2.230 254 N HA 0.148 4.887 4.740 -0.000 0.000 0.202 254 N C -0.105 175.355 175.510 -0.084 0.000 1.119 254 N CA 0.062 53.099 53.050 -0.020 0.000 0.851 254 N CB 1.620 40.109 38.487 0.002 0.000 0.990 254 N HN 0.220 nan 8.380 nan 0.000 0.497 255 I N 0.798 121.295 120.570 -0.122 0.000 2.499 255 I HA 0.276 4.446 4.170 -0.000 0.000 0.288 255 I C -0.689 175.229 176.117 -0.332 0.000 1.048 255 I CA -0.933 60.183 61.300 -0.307 0.000 1.062 255 I CB 2.691 40.426 38.000 -0.442 0.000 1.238 255 I HN -0.378 nan 8.210 nan 0.000 0.426 256 V N 6.305 125.981 119.914 -0.396 0.000 2.328 256 V HA 0.374 4.494 4.120 -0.000 0.000 0.278 256 V C -0.191 175.677 176.094 -0.377 0.000 1.021 256 V CA -0.424 61.711 62.300 -0.276 0.000 0.838 256 V CB 0.503 32.183 31.823 -0.238 0.000 0.999 256 V HN 0.368 nan 8.190 nan 0.000 0.447 257 F N 1.949 121.859 119.950 -0.067 0.000 2.370 257 F HA 0.615 5.142 4.527 -0.000 0.000 0.324 257 F C 1.503 177.270 175.800 -0.056 0.000 1.116 257 F CA 0.553 58.508 58.000 -0.075 0.000 1.123 257 F CB 0.970 39.943 39.000 -0.046 0.000 1.238 257 F HN 0.697 nan 8.300 nan 0.000 0.536 258 G N 0.945 109.825 108.800 0.133 0.000 2.198 258 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.260 258 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.260 258 G C -0.143 174.777 174.900 0.034 0.000 1.025 258 G CA 0.075 45.212 45.100 0.062 0.000 0.769 258 G HN 1.080 nan 8.290 nan 0.000 0.507 259 A N 0.227 123.020 122.820 -0.045 0.000 2.540 259 A HA 0.660 4.980 4.320 -0.000 0.000 0.340 259 A C 0.283 177.818 177.584 -0.080 0.000 1.424 259 A CA 0.071 52.091 52.037 -0.028 0.000 0.940 259 A CB 0.394 19.213 19.000 -0.301 0.000 1.149 259 A HN 0.554 nan 8.150 nan 0.000 0.505 260 E N 3.186 123.400 120.200 0.023 0.000 2.052 260 E HA 0.345 4.694 4.350 -0.000 0.000 0.283 260 E C -0.642 176.009 176.600 0.085 0.000 1.071 260 E CA -0.365 56.036 56.400 0.003 0.000 0.851 260 E CB 0.571 30.331 29.700 0.100 0.000 1.066 260 E HN 0.416 nan 8.360 nan 0.000 0.396 261 V N 4.738 124.671 119.914 0.032 0.000 2.599 261 V HA -0.032 4.088 4.120 -0.000 0.000 0.300 261 V C 1.389 177.531 176.094 0.080 0.000 1.034 261 V CA 1.110 63.456 62.300 0.077 0.000 1.115 261 V CB 1.016 32.849 31.823 0.017 0.000 0.934 261 V HN 0.941 nan 8.190 nan 0.000 0.485 262 T N -0.368 114.238 114.554 0.088 0.000 2.958 262 T HA 0.247 4.597 4.350 -0.000 0.000 0.256 262 T C 0.526 175.257 174.700 0.051 0.000 0.983 262 T CA 0.366 62.504 62.100 0.064 0.000 0.924 262 T CB 0.520 69.421 68.868 0.054 0.000 1.136 262 T HN 0.583 nan 8.240 nan 0.000 0.506 263 S N 0.388 116.121 115.700 0.056 0.000 2.541 263 S HA 0.722 5.192 4.470 -0.000 0.000 0.271 263 S C -1.722 172.907 174.600 0.048 0.000 1.133 263 S CA -0.845 57.382 58.200 0.045 0.000 0.876 263 S CB 1.790 65.010 63.200 0.033 0.000 1.105 263 S HN 0.489 nan 8.310 nan 0.000 0.470 264 M N 4.308 123.933 119.600 0.041 0.000 2.182 264 M HA 0.508 4.988 4.480 -0.000 0.000 0.266 264 M C -2.226 174.090 176.300 0.026 0.000 0.989 264 M CA -0.245 55.076 55.300 0.035 0.000 1.003 264 M CB 1.087 33.712 32.600 0.041 0.000 1.812 264 M HN 0.638 nan 8.290 nan 0.000 0.472 265 K N 3.364 123.774 120.400 0.015 0.000 2.468 265 K HA 0.421 4.741 4.320 -0.000 0.000 0.252 265 K C -1.196 175.401 176.600 -0.005 0.000 0.932 265 K CA -0.764 55.527 56.287 0.008 0.000 0.794 265 K CB 2.202 34.708 32.500 0.009 0.000 1.241 265 K HN 0.698 nan 8.250 nan 0.000 0.428 266 N N 1.483 120.176 118.700 -0.012 0.000 2.452 266 N HA 0.120 4.860 4.740 -0.000 0.000 0.266 266 N C -0.425 175.074 175.510 -0.019 0.000 1.209 266 N CA -0.174 52.862 53.050 -0.022 0.000 0.929 266 N CB 0.652 39.123 38.487 -0.026 0.000 1.063 266 N HN 0.279 nan 8.380 nan 0.000 0.472 267 V N -0.466 119.433 119.914 -0.025 0.000 3.126 267 V HA 0.458 4.578 4.120 -0.000 0.000 0.314 267 V C 1.168 177.244 176.094 -0.029 0.000 1.138 267 V CA -0.717 61.570 62.300 -0.022 0.000 1.034 267 V CB 1.459 33.271 31.823 -0.018 0.000 1.075 267 V HN 0.674 nan 8.190 nan 0.000 0.442 268 S N -0.003 115.683 115.700 -0.024 0.000 2.383 268 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 268 S C 1.227 175.806 174.600 -0.035 0.000 1.030 268 S CA 1.852 60.037 58.200 -0.026 0.000 1.002 268 S CB -0.745 62.443 63.200 -0.019 0.000 0.829 268 S HN 0.920 nan 8.310 nan 0.000 0.467 269 E N 1.211 121.390 120.200 -0.036 0.000 2.481 269 E HA 0.433 4.783 4.350 -0.000 0.000 0.195 269 E C 1.239 177.799 176.600 -0.066 0.000 1.047 269 E CA 0.233 56.607 56.400 -0.043 0.000 0.867 269 E CB 0.075 29.756 29.700 -0.033 0.000 0.858 269 E HN 0.661 nan 8.360 nan 0.000 0.513 270 G N -0.037 108.718 108.800 -0.075 0.000 2.350 270 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.085 270 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.085 270 G C -1.331 173.523 174.900 -0.078 0.000 1.159 270 G CA -0.474 44.558 45.100 -0.112 0.000 1.146 270 G HN 0.007 nan 8.290 nan 0.000 0.449 271 V N 1.149 121.028 119.914 -0.059 0.000 2.588 271 V HA 0.712 4.832 4.120 -0.000 0.000 0.304 271 V C -0.239 175.850 176.094 -0.009 0.000 1.042 271 V CA -0.401 61.882 62.300 -0.028 0.000 0.877 271 V CB 1.575 33.390 31.823 -0.015 0.000 0.996 271 V HN 0.796 nan 8.190 nan 0.000 0.425 272 T N 4.126 118.680 114.554 -0.001 0.000 2.794 272 T HA 0.629 4.979 4.350 -0.000 0.000 0.280 272 T C -0.480 174.237 174.700 0.028 0.000 0.987 272 T CA -0.345 61.762 62.100 0.013 0.000 0.993 272 T CB 1.539 70.411 68.868 0.007 0.000 0.939 272 T HN 0.382 nan 8.240 nan 0.000 0.449 273 V N 4.055 124.000 119.914 0.052 0.000 2.444 273 V HA 0.380 4.500 4.120 -0.000 0.000 0.294 273 V C -0.076 176.097 176.094 0.132 0.000 1.022 273 V CA -0.902 61.446 62.300 0.079 0.000 0.850 273 V CB 1.740 33.606 31.823 0.072 0.000 0.992 273 V HN 0.845 nan 8.190 nan 0.000 0.426 274 E N 4.352 124.614 120.200 0.104 0.000 2.231 274 E HA 0.659 5.009 4.350 -0.000 0.000 0.277 274 E C -1.460 175.238 176.600 0.163 0.000 0.999 274 E CA -0.524 55.921 56.400 0.074 0.000 0.827 274 E CB 2.119 31.826 29.700 0.012 0.000 1.101 274 E HN 0.741 nan 8.360 nan 0.000 0.393 275 Y N -1.991 118.302 120.300 -0.012 0.000 2.609 275 Y HA 0.504 5.054 4.550 -0.000 0.000 0.336 275 Y C -0.993 174.902 175.900 -0.009 0.000 1.129 275 Y CA -1.165 56.926 58.100 -0.015 0.000 1.040 275 Y CB 1.253 39.694 38.460 -0.032 0.000 1.310 275 Y HN 0.155 nan 8.280 nan 0.000 0.460 276 T N 2.570 117.201 114.554 0.128 0.000 2.758 276 T HA 0.796 5.146 4.350 -0.000 0.000 0.285 276 T C -0.741 174.043 174.700 0.140 0.000 0.981 276 T CA -0.327 61.801 62.100 0.046 0.000 0.965 276 T CB 0.873 69.768 68.868 0.046 0.000 0.927 276 T HN 0.944 nan 8.240 nan 0.000 0.448 277 A N 1.950 124.829 122.820 0.098 0.000 2.375 277 A HA 0.740 5.060 4.320 -0.000 0.000 0.295 277 A C 0.875 178.503 177.584 0.074 0.000 1.066 277 A CA -0.254 51.867 52.037 0.140 0.000 0.722 277 A CB 0.598 19.757 19.000 0.266 0.000 1.206 277 A HN 1.409 nan 8.150 nan 0.000 0.435 278 G N 1.211 110.052 108.800 0.068 0.000 2.221 278 G HA2 0.156 4.116 3.960 -0.000 0.000 0.265 278 G HA3 0.156 4.116 3.960 -0.000 0.000 0.265 278 G C 1.647 176.566 174.900 0.031 0.000 1.041 278 G CA 1.239 46.367 45.100 0.048 0.000 0.807 278 G HN 2.842 nan 8.290 nan 0.000 0.502 279 G N -1.908 106.911 108.800 0.032 0.000 2.189 279 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.267 279 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.267 279 G C 0.585 175.486 174.900 0.001 0.000 0.975 279 G CA 1.341 46.452 45.100 0.019 0.000 0.644 279 G HN 2.053 nan 8.290 nan 0.000 0.537 280 S N 0.045 115.740 115.700 -0.009 0.000 2.565 280 S HA 0.639 5.109 4.470 -0.000 0.000 0.290 280 S C 0.080 174.631 174.600 -0.083 0.000 1.150 280 S CA -0.709 57.469 58.200 -0.037 0.000 1.058 280 S CB 0.779 63.959 63.200 -0.033 0.000 1.032 280 S HN 0.219 nan 8.310 nan 0.000 0.510 281 K N 3.856 124.196 120.400 -0.099 0.000 2.227 281 K HA 0.444 4.764 4.320 -0.000 0.000 0.280 281 K C -0.420 176.039 176.600 -0.235 0.000 1.041 281 K CA -0.490 55.708 56.287 -0.149 0.000 0.905 281 K CB 0.953 33.396 32.500 -0.095 0.000 1.068 281 K HN 0.484 nan 8.250 nan 0.000 0.470 282 K N 0.630 120.768 120.400 -0.437 0.000 2.395 282 K HA 0.462 4.782 4.320 -0.000 0.000 0.247 282 K C -0.596 175.698 176.600 -0.511 0.000 0.973 282 K CA -0.761 55.171 56.287 -0.591 0.000 0.828 282 K CB 2.437 34.259 32.500 -1.131 0.000 1.272 282 K HN 0.510 nan 8.250 nan 0.000 0.439 283 S N 1.019 116.561 115.700 -0.263 0.000 2.540 283 S HA 0.701 5.171 4.470 -0.000 0.000 0.275 283 S C -1.494 173.138 174.600 0.053 0.000 1.123 283 S CA -0.798 57.363 58.200 -0.065 0.000 0.907 283 S CB 0.941 64.114 63.200 -0.046 0.000 1.081 283 S HN 0.583 nan 8.310 nan 0.000 0.476 284 I N 3.031 123.676 120.570 0.124 0.000 2.619 284 I HA 0.557 4.727 4.170 -0.000 0.000 0.292 284 I C -1.147 175.006 176.117 0.060 0.000 1.100 284 I CA -0.140 61.224 61.300 0.106 0.000 1.043 284 I CB 2.253 40.343 38.000 0.149 0.000 1.239 284 I HN 0.612 nan 8.210 nan 0.000 0.420 285 T N 6.493 121.067 114.554 0.033 0.000 2.797 285 T HA 0.836 5.186 4.350 -0.000 0.000 0.279 285 T C -0.484 174.222 174.700 0.010 0.000 0.991 285 T CA -0.468 61.641 62.100 0.014 0.000 0.979 285 T CB 1.565 70.433 68.868 0.001 0.000 0.943 285 T HN 0.702 nan 8.240 nan 0.000 0.444 286 A N 1.753 124.575 122.820 0.003 0.000 2.527 286 A HA 0.673 4.993 4.320 -0.000 0.000 0.293 286 A C 0.441 178.004 177.584 -0.034 0.000 1.117 286 A CA -0.719 51.323 52.037 0.008 0.000 0.723 286 A CB 1.016 20.038 19.000 0.036 0.000 1.313 286 A HN 0.670 nan 8.150 nan 0.000 0.411 287 D N -0.649 119.727 120.400 -0.041 0.000 2.144 287 D HA 0.013 4.652 4.640 -0.000 0.000 0.200 287 D C -0.351 175.640 176.300 -0.515 0.000 0.978 287 D CA 2.173 56.034 54.000 -0.232 0.000 0.833 287 D CB -0.076 40.637 40.800 -0.145 0.000 0.961 287 D HN 0.499 nan 8.370 nan 0.000 0.470 288 Y N -0.999 119.350 120.300 0.082 0.000 2.605 288 Y HA 0.585 5.135 4.550 -0.000 0.000 0.343 288 Y C -0.316 175.611 175.900 0.045 0.000 1.036 288 Y CA -1.410 56.742 58.100 0.086 0.000 1.065 288 Y CB 1.960 40.474 38.460 0.089 0.000 1.288 288 Y HN -0.223 nan 8.280 nan 0.000 0.481 289 A N 1.875 124.825 122.820 0.216 0.000 2.371 289 A HA 0.815 5.135 4.320 -0.000 0.000 0.311 289 A C -1.426 176.214 177.584 0.092 0.000 1.068 289 A CA -0.640 51.455 52.037 0.096 0.000 0.744 289 A CB 0.683 19.701 19.000 0.031 0.000 1.239 289 A HN 0.683 nan 8.150 nan 0.000 0.435 290 I N 1.904 122.487 120.570 0.021 0.000 2.328 290 I HA 0.251 4.421 4.170 -0.000 0.000 0.287 290 I C -0.383 175.733 176.117 -0.002 0.000 1.012 290 I CA -0.341 60.960 61.300 0.002 0.000 1.195 290 I CB 1.388 39.355 38.000 -0.055 0.000 1.350 290 I HN 0.637 nan 8.210 nan 0.000 0.464 291 C N 5.785 125.097 119.300 0.019 0.000 2.223 291 C HA 0.373 4.832 4.460 -0.000 0.000 0.324 291 C C 1.568 176.667 174.990 0.181 0.000 1.196 291 C CA -0.222 58.848 59.018 0.088 0.000 1.628 291 C CB -0.506 27.309 27.740 0.126 0.000 2.229 291 C HN 0.915 nan 8.230 nan 0.000 0.486 292 T N 3.200 117.814 114.554 0.099 0.000 3.092 292 T HA 0.291 4.641 4.350 -0.000 0.000 0.258 292 T C 0.496 175.242 174.700 0.077 0.000 1.031 292 T CA -0.131 62.034 62.100 0.109 0.000 0.925 292 T CB -0.349 68.533 68.868 0.023 0.000 1.036 292 T HN 0.646 nan 8.240 nan 0.000 0.544 293 I N 3.086 123.689 120.570 0.054 0.000 2.710 293 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 293 I C -2.037 174.037 176.117 -0.072 0.000 1.181 293 I CA -2.074 59.220 61.300 -0.011 0.000 1.430 293 I CB 0.375 38.371 38.000 -0.006 0.000 1.367 293 I HN 0.045 nan 8.210 nan 0.000 0.577 294 P HA -0.036 nan 4.420 nan 0.000 0.265 294 P C -1.877 175.169 177.300 -0.424 0.000 1.187 294 P CA -0.796 62.114 63.100 -0.317 0.000 0.766 294 P CB 0.005 31.520 31.700 -0.308 0.000 0.820 295 P HA -0.198 nan 4.420 nan 0.000 0.217 295 P C 1.113 178.288 177.300 -0.209 0.000 1.150 295 P CA 1.831 64.739 63.100 -0.319 0.000 0.832 295 P CB -0.518 30.963 31.700 -0.365 0.000 0.787 296 H N -1.149 117.799 119.070 -0.203 0.000 2.518 296 H HA 0.043 4.599 4.556 -0.000 0.000 0.289 296 H C 1.837 177.117 175.328 -0.081 0.000 1.051 296 H CA 0.540 56.508 56.048 -0.133 0.000 1.280 296 H CB -1.235 28.449 29.762 -0.129 0.000 1.380 296 H HN 0.115 nan 8.280 nan 0.000 0.566 297 L N 0.259 121.224 121.223 -0.430 0.000 2.477 297 L HA 0.060 4.400 4.340 -0.000 0.000 0.220 297 L C 1.920 178.724 176.870 -0.110 0.000 1.106 297 L CA -0.040 54.651 54.840 -0.247 0.000 0.851 297 L CB 0.198 42.081 42.059 -0.294 0.000 0.994 297 L HN 0.205 nan 8.230 nan 0.000 0.462 298 V N 0.635 120.488 119.914 -0.101 0.000 2.515 298 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 298 V C 2.572 178.672 176.094 0.011 0.000 1.058 298 V CA 1.989 64.280 62.300 -0.015 0.000 1.064 298 V CB -0.979 30.847 31.823 0.005 0.000 0.675 298 V HN 0.564 nan 8.190 nan 0.000 0.461 299 G N -0.185 108.610 108.800 -0.008 0.000 2.509 299 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 299 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 299 G C 1.691 176.599 174.900 0.014 0.000 1.124 299 G CA 0.270 45.376 45.100 0.010 0.000 0.776 299 G HN 0.464 nan 8.290 nan 0.000 0.547 300 R N -0.556 119.948 120.500 0.007 0.000 2.189 300 R HA 0.178 4.518 4.340 -0.000 0.000 0.218 300 R C 0.570 176.884 176.300 0.023 0.000 1.074 300 R CA -0.143 55.964 56.100 0.012 0.000 0.991 300 R CB -0.212 30.092 30.300 0.007 0.000 0.883 300 R HN 0.291 nan 8.270 nan 0.000 0.457 301 L N 2.238 123.479 121.223 0.029 0.000 2.439 301 L HA 0.018 4.358 4.340 -0.000 0.000 0.269 301 L C 0.564 177.456 176.870 0.036 0.000 1.179 301 L CA -0.301 54.561 54.840 0.038 0.000 0.828 301 L CB 0.339 42.427 42.059 0.048 0.000 1.106 301 L HN 0.044 nan 8.230 nan 0.000 0.467 302 Q N 4.606 124.426 119.800 0.033 0.000 2.300 302 Q HA 0.126 4.466 4.340 -0.000 0.000 0.280 302 Q C -0.548 175.473 176.000 0.035 0.000 1.033 302 Q CA 0.398 56.218 55.803 0.030 0.000 0.903 302 Q CB 0.500 29.252 28.738 0.024 0.000 1.195 302 Q HN 0.758 nan 8.270 nan 0.000 0.386 303 N N 0.716 119.437 118.700 0.035 0.000 2.823 303 N HA 0.185 4.925 4.740 -0.000 0.000 0.251 303 N C -1.024 174.507 175.510 0.035 0.000 1.392 303 N CA -0.654 52.420 53.050 0.041 0.000 0.864 303 N CB 0.814 39.338 38.487 0.061 0.000 1.481 303 N HN 0.339 nan 8.380 nan 0.000 0.508 304 N N 0.418 119.138 118.700 0.034 0.000 2.541 304 N HA 0.242 4.982 4.740 -0.000 0.000 0.297 304 N C -0.864 174.667 175.510 0.036 0.000 1.503 304 N CA -0.390 52.677 53.050 0.028 0.000 0.919 304 N CB 0.031 38.528 38.487 0.017 0.000 1.305 304 N HN 0.466 nan 8.380 nan 0.000 0.501 305 L N 0.275 121.532 121.223 0.057 0.000 2.397 305 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 305 L C -1.790 175.117 176.870 0.062 0.000 1.148 305 L CA -1.711 53.175 54.840 0.078 0.000 0.825 305 L CB 0.294 42.431 42.059 0.131 0.000 1.117 305 L HN -0.027 nan 8.230 nan 0.000 0.456 306 P HA 0.014 nan 4.420 nan 0.000 0.270 306 P C 0.757 178.087 177.300 0.049 0.000 1.223 306 P CA -0.081 63.046 63.100 0.046 0.000 0.785 306 P CB 0.708 32.433 31.700 0.041 0.000 0.923 307 G N 1.978 110.801 108.800 0.039 0.000 2.440 307 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 307 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 307 G C 0.996 175.921 174.900 0.041 0.000 1.154 307 G CA 0.995 46.117 45.100 0.037 0.000 0.767 307 G HN 0.627 nan 8.290 nan 0.000 0.552 308 D N 0.536 120.962 120.400 0.043 0.000 2.219 308 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 308 D C 2.336 178.671 176.300 0.058 0.000 0.970 308 D CA 0.765 54.793 54.000 0.047 0.000 0.851 308 D CB -0.616 40.209 40.800 0.042 0.000 0.943 308 D HN 0.272 nan 8.370 nan 0.000 0.488 309 V N 0.758 120.712 119.914 0.067 0.000 2.379 309 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 309 V C 2.758 178.884 176.094 0.054 0.000 1.044 309 V CA 0.935 63.285 62.300 0.083 0.000 1.036 309 V CB -0.483 31.424 31.823 0.139 0.000 0.664 309 V HN 0.187 nan 8.190 nan 0.000 0.453 310 L N -0.241 121.014 121.223 0.053 0.000 2.083 310 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 310 L C 2.595 179.482 176.870 0.029 0.000 1.083 310 L CA 1.896 56.757 54.840 0.034 0.000 0.752 310 L CB -1.017 41.064 42.059 0.038 0.000 0.899 310 L HN 0.346 nan 8.230 nan 0.000 0.433 311 T N -0.179 114.399 114.554 0.040 0.000 2.821 311 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 311 T C 2.027 176.766 174.700 0.066 0.000 1.046 311 T CA 1.222 63.350 62.100 0.046 0.000 1.139 311 T CB -0.156 68.740 68.868 0.047 0.000 0.871 311 T HN 0.441 nan 8.240 nan 0.000 0.454 312 A N 1.246 124.114 122.820 0.079 0.000 1.933 312 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 312 A C 2.251 179.925 177.584 0.149 0.000 1.175 312 A CA 1.112 53.229 52.037 0.133 0.000 0.628 312 A CB -0.840 18.233 19.000 0.122 0.000 0.814 312 A HN 0.472 nan 8.150 nan 0.000 0.444 313 L N -0.751 120.495 121.223 0.040 0.000 2.127 313 L HA -0.196 4.143 4.340 -0.000 0.000 0.211 313 L C 2.322 179.164 176.870 -0.047 0.000 1.089 313 L CA 1.571 56.387 54.840 -0.039 0.000 0.757 313 L CB -0.315 41.673 42.059 -0.119 0.000 0.899 313 L HN 0.341 nan 8.230 nan 0.000 0.434 314 K N -0.251 120.146 120.400 -0.005 0.000 2.432 314 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 314 K C 2.056 178.647 176.600 -0.016 0.000 1.038 314 K CA 0.759 57.039 56.287 -0.013 0.000 0.986 314 K CB -0.057 32.448 32.500 0.009 0.000 0.782 314 K HN 0.258 nan 8.250 nan 0.000 0.485 315 A N 1.488 124.333 122.820 0.041 0.000 2.066 315 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 315 A C 1.338 178.881 177.584 -0.068 0.000 1.157 315 A CA 0.740 52.839 52.037 0.104 0.000 0.670 315 A CB -0.107 19.085 19.000 0.320 0.000 0.804 315 A HN 0.229 nan 8.150 nan 0.000 0.453 316 A N 1.560 124.119 122.820 -0.435 0.000 2.671 316 A HA 0.427 4.747 4.320 -0.000 0.000 0.306 316 A C -0.064 177.247 177.584 -0.456 0.000 1.473 316 A CA -0.470 51.015 52.037 -0.920 0.000 1.155 316 A CB -0.205 18.019 19.000 -1.293 0.000 1.123 316 A HN 0.195 nan 8.150 nan 0.000 0.545 317 K N 2.747 122.961 120.400 -0.310 0.000 2.270 317 K HA 0.328 4.648 4.320 -0.000 0.000 0.276 317 K C -2.728 173.713 176.600 -0.265 0.000 1.023 317 K CA -2.176 53.982 56.287 -0.215 0.000 0.955 317 K CB 0.372 32.806 32.500 -0.111 0.000 0.975 317 K HN 0.314 nan 8.250 nan 0.000 0.471 318 P HA 0.129 nan 4.420 nan 0.000 0.272 318 P C -0.728 176.416 177.300 -0.261 0.000 1.230 318 P CA -0.203 62.639 63.100 -0.431 0.000 0.788 318 P CB 0.673 32.037 31.700 -0.560 0.000 0.949 319 S N -0.017 115.505 115.700 -0.298 0.000 2.536 319 S HA 0.430 4.900 4.470 -0.000 0.000 0.287 319 S C -0.549 173.841 174.600 -0.349 0.000 1.101 319 S CA -0.595 57.427 58.200 -0.296 0.000 0.950 319 S CB 1.468 64.433 63.200 -0.392 0.000 1.056 319 S HN 0.399 nan 8.310 nan 0.000 0.481 320 S N 1.747 117.322 115.700 -0.210 0.000 2.513 320 S HA 0.718 5.188 4.470 -0.000 0.000 0.276 320 S C -0.435 174.081 174.600 -0.140 0.000 1.254 320 S CA -0.201 57.924 58.200 -0.125 0.000 1.053 320 S CB 0.549 63.729 63.200 -0.034 0.000 0.958 320 S HN 0.675 nan 8.310 nan 0.000 0.491 321 S N 2.222 117.896 115.700 -0.042 0.000 2.543 321 S HA 0.764 5.234 4.470 -0.000 0.000 0.274 321 S C -0.652 174.173 174.600 0.375 0.000 1.149 321 S CA -0.054 58.220 58.200 0.123 0.000 0.866 321 S CB 1.186 64.350 63.200 -0.061 0.000 1.111 321 S HN 1.197 nan 8.310 nan 0.000 0.457 322 G N 2.292 111.367 108.800 0.458 0.000 2.677 322 G HA2 0.674 4.633 3.960 -0.000 0.000 0.291 322 G HA3 0.674 4.633 3.960 -0.000 0.000 0.291 322 G C -2.220 172.994 174.900 0.524 0.000 1.435 322 G CA -0.707 44.658 45.100 0.443 0.000 0.826 322 G HN 0.665 nan 8.290 nan 0.000 0.491 323 K N -0.582 120.007 120.400 0.315 0.000 2.482 323 K HA 0.715 5.035 4.320 -0.000 0.000 0.257 323 K C -1.631 174.745 176.600 -0.375 0.000 0.969 323 K CA -0.814 55.511 56.287 0.063 0.000 0.842 323 K CB 3.220 35.851 32.500 0.217 0.000 1.359 323 K HN 0.402 nan 8.250 nan 0.000 0.441 324 L N 0.331 121.024 121.223 -0.883 0.000 2.470 324 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 324 L C -0.974 175.440 176.870 -0.760 0.000 0.964 324 L CA -0.344 54.024 54.840 -0.787 0.000 0.839 324 L CB 1.954 43.314 42.059 -1.165 0.000 1.276 324 L HN 0.796 nan 8.230 nan 0.000 0.403 325 G N 5.453 113.823 108.800 -0.717 0.000 2.416 325 G HA2 0.650 4.610 3.960 -0.000 0.000 0.324 325 G HA3 0.650 4.610 3.960 -0.000 0.000 0.324 325 G C -1.045 173.735 174.900 -0.201 0.000 1.194 325 G CA -0.490 44.146 45.100 -0.773 0.000 0.922 325 G HN 0.522 nan 8.290 nan 0.000 0.467 326 I N 1.349 121.746 120.570 -0.289 0.000 2.389 326 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 326 I C 0.073 175.988 176.117 -0.336 0.000 0.999 326 I CA -0.624 60.518 61.300 -0.264 0.000 1.129 326 I CB 2.229 39.961 38.000 -0.446 0.000 1.288 326 I HN 0.488 nan 8.210 nan 0.000 0.444 327 E N 6.226 126.300 120.200 -0.211 0.000 2.194 327 E HA 0.253 4.603 4.350 -0.000 0.000 0.284 327 E C -1.588 174.882 176.600 -0.218 0.000 1.035 327 E CA -0.367 55.896 56.400 -0.228 0.000 0.836 327 E CB 0.766 30.394 29.700 -0.120 0.000 1.070 327 E HN 0.381 nan 8.360 nan 0.000 0.401 328 Y N 1.640 121.928 120.300 -0.019 0.000 2.361 328 Y HA 0.095 4.645 4.550 -0.000 0.000 0.332 328 Y C 1.290 177.193 175.900 0.005 0.000 1.101 328 Y CA -0.421 57.728 58.100 0.082 0.000 1.137 328 Y CB 2.020 40.660 38.460 0.301 0.000 1.207 328 Y HN 0.591 nan 8.280 nan 0.000 0.463 329 S N 1.900 117.699 115.700 0.164 0.000 2.660 329 S HA 0.255 4.725 4.470 -0.000 0.000 0.227 329 S C 0.276 174.895 174.600 0.031 0.000 0.948 329 S CA -0.391 57.836 58.200 0.045 0.000 0.948 329 S CB -0.175 63.041 63.200 0.028 0.000 0.779 329 S HN 0.703 nan 8.310 nan 0.000 0.487 330 R N 0.664 121.202 120.500 0.063 0.000 2.515 330 R HA 0.319 4.659 4.340 -0.000 0.000 0.278 330 R C -1.299 174.822 176.300 -0.298 0.000 1.107 330 R CA -0.546 55.521 56.100 -0.055 0.000 0.945 330 R CB 1.036 31.367 30.300 0.052 0.000 1.219 330 R HN 0.156 nan 8.270 nan 0.000 0.434 331 R N 5.220 125.330 120.500 -0.651 0.000 4.138 331 R HA 0.068 4.407 4.340 -0.000 0.000 0.206 331 R C 0.929 176.359 176.300 -1.449 0.000 1.667 331 R CA -0.156 54.968 56.100 -1.626 0.000 1.481 331 R CB 0.035 29.548 30.300 -1.312 0.000 1.388 331 R HN 0.649 nan 8.270 nan 0.000 0.776 332 W N 0.736 121.551 121.300 -0.808 0.000 2.392 332 W HA -0.206 4.454 4.660 -0.000 0.000 0.279 332 W C 0.662 176.973 176.519 -0.347 0.000 1.225 332 W CA 0.381 57.482 57.345 -0.407 0.000 1.233 332 W CB -0.879 28.464 29.460 -0.195 0.000 1.122 332 W HN 0.486 nan 8.180 nan 0.000 0.561 333 W N 1.689 122.417 121.300 -0.954 0.000 2.402 333 W HA 0.047 4.707 4.660 -0.000 0.000 0.286 333 W C 1.782 177.934 176.519 -0.611 0.000 1.221 333 W CA 1.614 58.418 57.345 -0.903 0.000 1.257 333 W CB -1.207 27.311 29.460 -1.570 0.000 1.120 333 W HN -0.107 nan 8.180 nan 0.000 0.551 334 E N 0.608 120.183 120.200 -1.042 0.000 2.051 334 E HA -0.153 4.197 4.350 -0.000 0.000 0.189 334 E C 2.424 178.749 176.600 -0.459 0.000 0.979 334 E CA 2.070 57.916 56.400 -0.923 0.000 0.803 334 E CB -0.387 28.523 29.700 -1.318 0.000 0.761 334 E HN 0.387 nan 8.360 nan 0.000 0.451 335 T N -0.905 113.410 114.554 -0.399 0.000 2.857 335 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 335 T C 1.700 176.361 174.700 -0.066 0.000 1.048 335 T CA 1.023 63.014 62.100 -0.181 0.000 1.139 335 T CB -0.067 68.702 68.868 -0.166 0.000 0.874 335 T HN 0.067 nan 8.240 nan 0.000 0.455 336 E N 0.747 120.934 120.200 -0.021 0.000 2.110 336 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 336 E C 1.620 178.280 176.600 0.100 0.000 0.950 336 E CA 0.665 57.106 56.400 0.069 0.000 0.840 336 E CB 0.193 29.976 29.700 0.139 0.000 0.809 336 E HN 0.384 nan 8.360 nan 0.000 0.465 337 D N 0.214 120.681 120.400 0.112 0.000 2.349 337 D HA 0.021 4.660 4.640 -0.000 0.000 0.215 337 D C -0.074 176.276 176.300 0.083 0.000 1.016 337 D CA 0.185 54.272 54.000 0.146 0.000 0.870 337 D CB 0.351 41.239 40.800 0.148 0.000 0.917 337 D HN -0.054 nan 8.370 nan 0.000 0.524 338 R N 0.175 120.691 120.500 0.026 0.000 3.422 338 R HA -0.185 4.155 4.340 -0.000 0.000 0.267 338 R C -0.450 175.909 176.300 0.098 0.000 1.074 338 R CA 0.309 56.462 56.100 0.089 0.000 0.718 338 R CB -2.902 27.472 30.300 0.123 0.000 1.157 338 R HN 0.330 nan 8.270 nan 0.000 0.440 339 I N 1.075 121.604 120.570 -0.067 0.000 2.354 339 I HA 0.233 4.403 4.170 -0.000 0.000 0.286 339 I C 0.007 176.073 176.117 -0.086 0.000 1.007 339 I CA -0.621 60.614 61.300 -0.109 0.000 1.167 339 I CB 0.871 38.601 38.000 -0.450 0.000 1.320 339 I HN 0.006 nan 8.210 nan 0.000 0.458 340 Y N 5.221 125.493 120.300 -0.045 0.000 2.575 340 Y HA 0.559 5.109 4.550 -0.000 0.000 0.326 340 Y C 0.927 176.892 175.900 0.108 0.000 0.979 340 Y CA -0.351 57.764 58.100 0.025 0.000 1.286 340 Y CB 1.390 39.712 38.460 -0.230 0.000 1.093 340 Y HN 0.823 nan 8.280 nan 0.000 0.501 341 G N 1.401 110.403 108.800 0.336 0.000 2.741 341 G HA2 0.270 4.230 3.960 -0.000 0.000 0.222 341 G HA3 0.270 4.230 3.960 -0.000 0.000 0.222 341 G C 0.097 175.093 174.900 0.160 0.000 1.364 341 G CA -0.266 44.977 45.100 0.238 0.000 0.866 341 G HN 1.561 nan 8.290 nan 0.000 0.555 342 G N -1.817 107.024 108.800 0.068 0.000 2.782 342 G HA2 0.489 4.449 3.960 -0.000 0.000 0.228 342 G HA3 0.489 4.449 3.960 -0.000 0.000 0.228 342 G C 0.161 175.183 174.900 0.204 0.000 1.372 342 G CA 0.951 46.114 45.100 0.104 0.000 0.862 342 G HN 2.906 nan 8.290 nan 0.000 0.547 343 A N -0.735 122.219 122.820 0.224 0.000 2.449 343 A HA 0.893 5.213 4.320 -0.000 0.000 0.302 343 A C 0.086 177.872 177.584 0.338 0.000 1.048 343 A CA 0.651 52.825 52.037 0.229 0.000 0.708 343 A CB 1.707 20.796 19.000 0.149 0.000 1.274 343 A HN 1.875 nan 8.150 nan 0.000 0.410 344 S N 1.473 117.380 115.700 0.346 0.000 2.586 344 S HA 0.414 4.884 4.470 -0.000 0.000 0.274 344 S C -0.003 174.727 174.600 0.217 0.000 1.281 344 S CA -0.659 57.748 58.200 0.345 0.000 1.035 344 S CB 0.648 64.105 63.200 0.430 0.000 0.962 344 S HN 0.712 nan 8.310 nan 0.000 0.512 345 N N 0.694 119.486 118.700 0.153 0.000 2.269 345 N HA 0.500 5.239 4.740 -0.000 0.000 0.304 345 N C -1.382 174.119 175.510 -0.014 0.000 1.072 345 N CA -0.099 53.019 53.050 0.113 0.000 0.802 345 N CB 2.091 40.708 38.487 0.217 0.000 1.348 345 N HN 0.573 nan 8.380 nan 0.000 0.484 346 T N 0.071 114.669 114.554 0.074 0.000 2.821 346 T HA 0.165 4.514 4.350 -0.000 0.000 0.306 346 T C -0.289 174.532 174.700 0.203 0.000 1.313 346 T CA -0.510 61.612 62.100 0.037 0.000 1.012 346 T CB 0.953 69.811 68.868 -0.017 0.000 1.298 346 T HN 0.613 nan 8.240 nan 0.000 0.502 347 D N 1.211 121.766 120.400 0.257 0.000 2.349 347 D HA 0.104 4.743 4.640 -0.000 0.000 0.215 347 D C 0.429 176.781 176.300 0.088 0.000 1.016 347 D CA 0.214 54.318 54.000 0.174 0.000 0.870 347 D CB -0.043 40.862 40.800 0.174 0.000 0.917 347 D HN 0.432 nan 8.370 nan 0.000 0.524 348 K N 0.702 121.143 120.400 0.070 0.000 2.286 348 K HA 0.004 4.324 4.320 -0.000 0.000 0.256 348 K C 0.619 177.257 176.600 0.064 0.000 0.999 348 K CA -0.223 56.092 56.287 0.046 0.000 0.908 348 K CB 0.593 33.116 32.500 0.039 0.000 0.981 348 K HN -0.189 nan 8.250 nan 0.000 0.500 349 D N 1.297 121.724 120.400 0.044 0.000 2.149 349 D HA -0.175 4.464 4.640 -0.000 0.000 0.198 349 D C 1.717 178.160 176.300 0.240 0.000 0.990 349 D CA 1.341 55.383 54.000 0.070 0.000 0.839 349 D CB -0.278 40.448 40.800 -0.123 0.000 0.948 349 D HN 0.583 nan 8.370 nan 0.000 0.460 350 I N -1.921 118.806 120.570 0.262 0.000 2.423 350 I HA -0.250 3.920 4.170 -0.000 0.000 0.254 350 I C 1.218 177.434 176.117 0.165 0.000 1.151 350 I CA 0.933 62.375 61.300 0.236 0.000 1.421 350 I CB -0.135 38.005 38.000 0.233 0.000 1.079 350 I HN -0.180 nan 8.210 nan 0.000 0.431 351 S N 0.305 116.081 115.700 0.126 0.000 1.703 351 S HA -0.322 4.148 4.470 -0.000 0.000 0.232 351 S C 0.431 175.083 174.600 0.087 0.000 0.865 351 S CA 1.900 60.156 58.200 0.093 0.000 1.462 351 S CB -1.160 62.077 63.200 0.062 0.000 1.879 351 S HN 0.972 nan 8.310 nan 0.000 0.532 352 Q N -0.393 119.468 119.800 0.102 0.000 2.527 352 Q HA 0.764 5.104 4.340 -0.000 0.000 0.280 352 Q C -1.819 174.228 176.000 0.078 0.000 0.977 352 Q CA -0.935 54.924 55.803 0.093 0.000 0.837 352 Q CB 1.424 30.211 28.738 0.081 0.000 1.454 352 Q HN 0.443 nan 8.270 nan 0.000 0.387 353 I N 2.326 122.904 120.570 0.014 0.000 2.410 353 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 353 I C -0.636 175.247 176.117 -0.390 0.000 1.009 353 I CA -0.794 60.402 61.300 -0.174 0.000 1.111 353 I CB 1.639 39.541 38.000 -0.163 0.000 1.262 353 I HN 0.536 nan 8.210 nan 0.000 0.443 354 M N 6.313 125.657 119.600 -0.427 0.000 2.149 354 M HA 0.479 4.959 4.480 -0.000 0.000 0.342 354 M C -1.010 174.900 176.300 -0.650 0.000 1.068 354 M CA -0.425 54.671 55.300 -0.340 0.000 0.991 354 M CB 1.180 33.765 32.600 -0.024 0.000 1.596 354 M HN 0.249 nan 8.290 nan 0.000 0.439 355 F N 3.776 123.549 119.950 -0.295 0.000 2.379 355 F HA 0.521 5.048 4.527 -0.000 0.000 0.332 355 F C -1.754 173.832 175.800 -0.357 0.000 1.096 355 F CA -2.027 55.655 58.000 -0.530 0.000 1.105 355 F CB 0.291 38.955 39.000 -0.560 0.000 1.189 355 F HN 0.346 nan 8.300 nan 0.000 0.515 356 P HA 0.057 nan 4.420 nan 0.000 0.274 356 P C -0.730 176.441 177.300 -0.215 0.000 1.237 356 P CA -0.120 62.764 63.100 -0.360 0.000 0.793 356 P CB 0.462 31.931 31.700 -0.384 0.000 0.977 357 Y N -1.135 119.051 120.300 -0.191 0.000 2.555 357 Y HA 0.378 4.928 4.550 -0.000 0.000 0.259 357 Y C -0.123 175.412 175.900 -0.609 0.000 1.179 357 Y CA -1.005 56.948 58.100 -0.245 0.000 1.230 357 Y CB -0.329 38.052 38.460 -0.132 0.000 1.146 357 Y HN 0.160 nan 8.280 nan 0.000 0.526 358 D N -2.342 117.623 120.400 -0.725 0.000 2.592 358 D HA 0.178 4.818 4.640 -0.000 0.000 0.263 358 D C -0.039 175.985 176.300 -0.459 0.000 1.132 358 D CA -0.831 52.801 54.000 -0.614 0.000 0.996 358 D CB 0.307 40.895 40.800 -0.352 0.000 1.442 358 D HN 0.219 nan 8.370 nan 0.000 0.486 359 H N -1.360 117.529 119.070 -0.302 0.000 2.776 359 H HA -0.202 4.354 4.556 -0.000 0.000 0.300 359 H C -0.538 174.771 175.328 -0.031 0.000 1.161 359 H CA 0.591 56.559 56.048 -0.133 0.000 1.147 359 H CB -2.048 27.655 29.762 -0.098 0.000 1.366 359 H HN 0.355 nan 8.280 nan 0.000 0.397 360 Y N 1.122 121.496 120.300 0.123 0.000 2.811 360 Y HA -0.101 4.448 4.550 -0.000 0.000 0.334 360 Y C 1.693 177.662 175.900 0.115 0.000 1.247 360 Y CA 0.540 58.731 58.100 0.151 0.000 1.526 360 Y CB 0.213 38.813 38.460 0.234 0.000 1.284 360 Y HN 0.292 nan 8.280 nan 0.000 0.586 361 N N -0.599 118.239 118.700 0.230 0.000 2.828 361 N HA -0.242 4.498 4.740 -0.000 0.000 0.248 361 N C 0.240 175.774 175.510 0.040 0.000 1.044 361 N CA 1.067 54.179 53.050 0.103 0.000 0.851 361 N CB -1.033 37.545 38.487 0.151 0.000 1.136 361 N HN 0.521 nan 8.380 nan 0.000 0.572 362 S N 0.141 115.870 115.700 0.048 0.000 2.632 362 S HA 0.199 4.669 4.470 -0.000 0.000 0.267 362 S C 1.125 175.700 174.600 -0.042 0.000 1.193 362 S CA 0.315 58.542 58.200 0.045 0.000 1.003 362 S CB 0.626 63.910 63.200 0.140 0.000 1.073 362 S HN 0.328 nan 8.310 nan 0.000 0.553 363 D N -0.237 120.141 120.400 -0.036 0.000 2.349 363 D HA 0.086 4.726 4.640 -0.000 0.000 0.214 363 D C 0.533 176.762 176.300 -0.120 0.000 1.063 363 D CA 0.021 53.974 54.000 -0.079 0.000 0.847 363 D CB -0.074 40.697 40.800 -0.047 0.000 0.933 363 D HN 0.584 nan 8.370 nan 0.000 0.513 364 R N -1.942 118.474 120.500 -0.140 0.000 2.728 364 R HA 0.656 4.996 4.340 -0.000 0.000 0.274 364 R C -0.999 175.210 176.300 -0.152 0.000 1.030 364 R CA -0.941 55.049 56.100 -0.184 0.000 0.876 364 R CB 1.137 31.256 30.300 -0.303 0.000 1.259 364 R HN -0.022 nan 8.270 nan 0.000 0.468 365 G N 0.308 109.076 108.800 -0.053 0.000 2.519 365 G HA2 0.412 4.372 3.960 -0.000 0.000 0.292 365 G HA3 0.412 4.372 3.960 -0.000 0.000 0.292 365 G C -1.837 173.049 174.900 -0.024 0.000 1.507 365 G CA -0.673 44.469 45.100 0.071 0.000 0.806 365 G HN 0.348 nan 8.290 nan 0.000 0.523 366 V N 0.689 120.451 119.914 -0.253 0.000 2.383 366 V HA 0.513 4.633 4.120 -0.000 0.000 0.275 366 V C 0.228 176.006 176.094 -0.525 0.000 1.036 366 V CA -0.596 61.420 62.300 -0.474 0.000 0.889 366 V CB 1.247 32.621 31.823 -0.748 0.000 0.985 366 V HN 0.589 nan 8.190 nan 0.000 0.459 367 V N 5.665 125.259 119.914 -0.532 0.000 2.472 367 V HA 0.305 4.425 4.120 -0.000 0.000 0.290 367 V C 0.151 175.907 176.094 -0.563 0.000 1.037 367 V CA -0.639 61.264 62.300 -0.662 0.000 0.908 367 V CB 1.997 33.421 31.823 -0.665 0.000 0.985 367 V HN 0.609 nan 8.190 nan 0.000 0.454 368 V N 5.234 124.814 119.914 -0.557 0.000 2.352 368 V HA 0.166 4.286 4.120 -0.000 0.000 0.253 368 V C 1.340 177.225 176.094 -0.348 0.000 1.083 368 V CA 0.581 62.588 62.300 -0.488 0.000 0.993 368 V CB 0.336 31.975 31.823 -0.306 0.000 1.111 368 V HN 1.081 nan 8.190 nan 0.000 0.490 369 A N 5.292 127.927 122.820 -0.308 0.000 2.067 369 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 369 A C 0.707 178.308 177.584 0.028 0.000 1.158 369 A CA 1.199 53.200 52.037 -0.060 0.000 0.661 369 A CB -0.124 18.883 19.000 0.012 0.000 0.801 369 A HN 1.001 nan 8.150 nan 0.000 0.452 370 Y N -5.027 115.204 120.300 -0.115 0.000 2.552 370 Y HA 0.600 5.150 4.550 -0.000 0.000 0.337 370 Y C -1.356 174.568 175.900 0.041 0.000 1.094 370 Y CA -2.654 55.398 58.100 -0.081 0.000 1.028 370 Y CB 0.539 38.845 38.460 -0.257 0.000 1.321 370 Y HN 0.111 nan 8.280 nan 0.000 0.456 371 Y N 3.286 123.729 120.300 0.238 0.000 2.400 371 Y HA 0.699 5.249 4.550 -0.000 0.000 0.335 371 Y C -1.381 174.660 175.900 0.235 0.000 1.066 371 Y CA -1.198 57.052 58.100 0.249 0.000 1.285 371 Y CB 1.120 39.695 38.460 0.191 0.000 1.103 371 Y HN 0.914 nan 8.280 nan 0.000 0.490 372 S N 2.814 118.695 115.700 0.302 0.000 2.634 372 S HA 0.978 5.448 4.470 -0.000 0.000 0.296 372 S C -0.948 173.736 174.600 0.141 0.000 1.104 372 S CA -0.686 57.574 58.200 0.099 0.000 0.920 372 S CB 2.267 65.530 63.200 0.105 0.000 1.111 372 S HN 0.428 nan 8.310 nan 0.000 0.493 373 S N -0.283 115.476 115.700 0.098 0.000 2.588 373 S HA 0.912 5.382 4.470 -0.000 0.000 0.275 373 S C 0.529 175.193 174.600 0.107 0.000 1.130 373 S CA -0.100 58.184 58.200 0.140 0.000 0.855 373 S CB 0.989 64.340 63.200 0.252 0.000 1.116 373 S HN 2.040 nan 8.310 nan 0.000 0.472 374 G N 2.311 111.163 108.800 0.088 0.000 2.574 374 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.286 374 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.286 374 G C 0.791 175.717 174.900 0.042 0.000 1.212 374 G CA 0.915 46.053 45.100 0.063 0.000 0.979 374 G HN 0.812 nan 8.290 nan 0.000 0.557 375 K N 0.520 120.939 120.400 0.031 0.000 2.074 375 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 375 K C 2.542 179.143 176.600 0.002 0.000 1.048 375 K CA 1.973 58.265 56.287 0.009 0.000 0.926 375 K CB -0.207 32.295 32.500 0.004 0.000 0.713 375 K HN 0.479 nan 8.250 nan 0.000 0.444 376 R N -0.307 120.209 120.500 0.026 0.000 2.307 376 R HA -0.059 4.281 4.340 -0.000 0.000 0.199 376 R C 1.953 178.318 176.300 0.109 0.000 1.000 376 R CA 0.624 56.746 56.100 0.036 0.000 1.023 376 R CB 0.125 30.459 30.300 0.058 0.000 0.908 376 R HN 0.235 nan 8.270 nan 0.000 0.473 377 Q N 1.001 120.865 119.800 0.108 0.000 2.349 377 Q HA -0.013 4.327 4.340 -0.000 0.000 0.209 377 Q C 1.163 177.229 176.000 0.109 0.000 0.920 377 Q CA 1.129 57.030 55.803 0.163 0.000 0.901 377 Q CB 0.443 29.266 28.738 0.141 0.000 1.021 377 Q HN 0.192 nan 8.270 nan 0.000 0.519 378 E N -0.035 120.188 120.200 0.038 0.000 2.267 378 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 378 E C 1.551 178.122 176.600 -0.048 0.000 0.998 378 E CA 1.014 57.414 56.400 0.000 0.000 0.830 378 E CB -0.139 29.552 29.700 -0.014 0.000 0.751 378 E HN 0.484 nan 8.360 nan 0.000 0.491 379 A N -0.269 122.482 122.820 -0.116 0.000 2.067 379 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 379 A C 1.476 178.790 177.584 -0.450 0.000 1.158 379 A CA 0.915 52.771 52.037 -0.302 0.000 0.661 379 A CB -0.199 18.542 19.000 -0.431 0.000 0.801 379 A HN 0.199 nan 8.150 nan 0.000 0.452 380 F N -1.448 118.430 119.950 -0.120 0.000 2.602 380 F HA 0.188 4.715 4.527 -0.000 0.000 0.284 380 F C 2.014 177.793 175.800 -0.035 0.000 1.111 380 F CA 0.454 58.389 58.000 -0.108 0.000 1.405 380 F CB -0.128 38.734 39.000 -0.230 0.000 1.121 380 F HN 0.205 nan 8.300 nan 0.000 0.603 381 E N 0.383 120.668 120.200 0.142 0.000 2.114 381 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 381 E C 1.665 178.297 176.600 0.054 0.000 1.008 381 E CA 1.792 58.246 56.400 0.091 0.000 0.810 381 E CB -0.051 29.680 29.700 0.051 0.000 0.739 381 E HN 0.198 nan 8.360 nan 0.000 0.456 382 S N -0.221 115.495 115.700 0.026 0.000 2.575 382 S HA 0.151 4.621 4.470 -0.000 0.000 0.215 382 S C 0.484 175.090 174.600 0.011 0.000 0.966 382 S CA -0.201 58.003 58.200 0.008 0.000 0.911 382 S CB 0.203 63.397 63.200 -0.011 0.000 0.780 382 S HN 0.130 nan 8.310 nan 0.000 0.514 383 L N 2.538 123.778 121.223 0.029 0.000 2.418 383 L HA 0.254 4.594 4.340 -0.000 0.000 0.265 383 L C 1.178 178.078 176.870 0.049 0.000 1.143 383 L CA -0.649 54.210 54.840 0.032 0.000 0.809 383 L CB 0.395 42.482 42.059 0.048 0.000 1.124 383 L HN 0.169 nan 8.230 nan 0.000 0.456 384 T N -3.067 111.508 114.554 0.034 0.000 2.802 384 T HA -0.047 4.303 4.350 -0.000 0.000 0.305 384 T C 1.037 175.770 174.700 0.056 0.000 1.053 384 T CA -0.100 62.026 62.100 0.043 0.000 1.058 384 T CB 0.646 69.532 68.868 0.030 0.000 0.988 384 T HN 0.680 nan 8.240 nan 0.000 0.539 385 H N 1.006 120.076 119.070 -0.001 0.000 2.352 385 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 385 H C 2.352 177.691 175.328 0.018 0.000 1.097 385 H CA 1.900 57.942 56.048 -0.011 0.000 1.311 385 H CB -0.048 29.669 29.762 -0.076 0.000 1.377 385 H HN 0.651 nan 8.280 nan 0.000 0.504 386 R N -0.168 120.269 120.500 -0.105 0.000 2.096 386 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 386 R C 2.519 178.762 176.300 -0.095 0.000 1.127 386 R CA 1.810 57.841 56.100 -0.114 0.000 0.968 386 R CB -0.111 30.182 30.300 -0.012 0.000 0.861 386 R HN 0.558 nan 8.270 nan 0.000 0.440 387 Q N -0.165 119.610 119.800 -0.042 0.000 2.119 387 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 387 Q C 2.108 178.134 176.000 0.043 0.000 0.972 387 Q CA 1.154 56.955 55.803 -0.003 0.000 0.847 387 Q CB 0.030 28.772 28.738 0.006 0.000 0.903 387 Q HN 0.284 nan 8.270 nan 0.000 0.433 388 R N 0.222 120.760 120.500 0.063 0.000 2.083 388 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 388 R C 2.287 178.697 176.300 0.184 0.000 1.137 388 R CA 1.176 57.429 56.100 0.256 0.000 0.951 388 R CB -0.440 30.011 30.300 0.252 0.000 0.851 388 R HN 0.164 nan 8.270 nan 0.000 0.434 389 L N 0.795 121.962 121.223 -0.093 0.000 2.017 389 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 389 L C 2.276 179.170 176.870 0.040 0.000 1.073 389 L CA 2.073 56.859 54.840 -0.090 0.000 0.745 389 L CB -0.743 41.171 42.059 -0.242 0.000 0.894 389 L HN 0.155 nan 8.230 nan 0.000 0.432 390 A N -0.513 122.322 122.820 0.026 0.000 1.908 390 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 390 A C 2.479 180.123 177.584 0.100 0.000 1.181 390 A CA 2.177 54.246 52.037 0.053 0.000 0.627 390 A CB -0.698 18.318 19.000 0.027 0.000 0.818 390 A HN 0.544 nan 8.150 nan 0.000 0.445 391 K N -0.436 120.043 120.400 0.133 0.000 2.057 391 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 391 K C 2.132 178.889 176.600 0.262 0.000 1.050 391 K CA 1.159 57.541 56.287 0.158 0.000 0.935 391 K CB -0.329 32.244 32.500 0.121 0.000 0.715 391 K HN 0.352 nan 8.250 nan 0.000 0.439 392 A N 1.279 124.316 122.820 0.361 0.000 1.902 392 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 392 A C 2.066 179.841 177.584 0.319 0.000 1.181 392 A CA 1.423 53.682 52.037 0.371 0.000 0.623 392 A CB -0.521 18.686 19.000 0.345 0.000 0.818 392 A HN 0.343 nan 8.150 nan 0.000 0.443 393 I N -0.368 120.373 120.570 0.285 0.000 2.252 393 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 393 I C 2.982 179.247 176.117 0.246 0.000 1.102 393 I CA 0.941 62.452 61.300 0.352 0.000 1.385 393 I CB -0.355 37.778 38.000 0.221 0.000 1.064 393 I HN 0.353 nan 8.210 nan 0.000 0.414 394 A N 0.681 123.592 122.820 0.151 0.000 1.865 394 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 394 A C 2.224 179.838 177.584 0.052 0.000 1.191 394 A CA 1.880 53.970 52.037 0.088 0.000 0.623 394 A CB -0.660 18.377 19.000 0.062 0.000 0.826 394 A HN 0.446 nan 8.150 nan 0.000 0.444 395 E N -0.868 119.369 120.200 0.061 0.000 2.106 395 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 395 E C 2.115 178.672 176.600 -0.071 0.000 0.984 395 E CA 0.678 57.091 56.400 0.021 0.000 0.806 395 E CB -0.344 29.401 29.700 0.075 0.000 0.750 395 E HN 0.618 nan 8.360 nan 0.000 0.458 396 G N 1.309 110.004 108.800 -0.175 0.000 2.408 396 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.217 396 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.217 396 G C 1.726 176.238 174.900 -0.646 0.000 1.150 396 G CA 1.072 45.741 45.100 -0.718 0.000 0.776 396 G HN 0.379 nan 8.290 nan 0.000 0.542 397 S N 0.599 116.153 115.700 -0.244 0.000 2.423 397 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 397 S C 1.865 176.439 174.600 -0.043 0.000 1.014 397 S CA 1.495 59.671 58.200 -0.040 0.000 0.965 397 S CB -0.246 62.997 63.200 0.072 0.000 0.785 397 S HN 0.550 nan 8.310 nan 0.000 0.495 398 E N 0.505 120.670 120.200 -0.058 0.000 2.418 398 E HA 0.131 4.481 4.350 -0.000 0.000 0.197 398 E C 1.554 178.119 176.600 -0.059 0.000 1.026 398 E CA 0.871 57.244 56.400 -0.046 0.000 0.862 398 E CB -0.127 29.550 29.700 -0.038 0.000 0.799 398 E HN 0.659 nan 8.360 nan 0.000 0.518 399 I N -0.753 119.774 120.570 -0.072 0.000 3.300 399 I HA -0.038 4.132 4.170 -0.000 0.000 0.279 399 I C 1.637 177.717 176.117 -0.061 0.000 1.172 399 I CA 0.371 61.631 61.300 -0.066 0.000 1.431 399 I CB 0.294 38.269 38.000 -0.042 0.000 1.240 399 I HN 0.127 nan 8.210 nan 0.000 0.453 400 H N 0.825 119.948 119.070 0.088 0.000 2.755 400 H HA 0.344 4.900 4.556 -0.000 0.000 0.273 400 H C 0.740 176.099 175.328 0.051 0.000 1.055 400 H CA 0.796 56.956 56.048 0.186 0.000 1.191 400 H CB 0.837 30.737 29.762 0.231 0.000 1.536 400 H HN 0.369 nan 8.280 nan 0.000 0.529 401 G N 1.274 110.116 108.800 0.070 0.000 2.728 401 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.294 401 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.294 401 G C 0.630 175.529 174.900 -0.002 0.000 1.342 401 G CA -0.215 44.899 45.100 0.023 0.000 0.866 401 G HN 0.201 nan 8.290 nan 0.000 0.534 402 E N 0.433 120.623 120.200 -0.016 0.000 2.265 402 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 402 E C 2.484 179.039 176.600 -0.074 0.000 0.996 402 E CA 1.544 57.933 56.400 -0.018 0.000 0.832 402 E CB -0.225 29.467 29.700 -0.012 0.000 0.756 402 E HN 0.781 nan 8.360 nan 0.000 0.491 403 K N -0.279 120.015 120.400 -0.177 0.000 2.280 403 K HA -0.174 4.146 4.320 -0.000 0.000 0.202 403 K C 1.936 178.165 176.600 -0.618 0.000 1.047 403 K CA 0.989 57.048 56.287 -0.380 0.000 0.942 403 K CB -0.479 31.731 32.500 -0.484 0.000 0.739 403 K HN 0.053 nan 8.250 nan 0.000 0.457 404 Y N 3.170 123.123 120.300 -0.578 0.000 2.333 404 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 404 Y C 2.417 178.354 175.900 0.061 0.000 1.144 404 Y CA 1.892 59.788 58.100 -0.340 0.000 1.228 404 Y CB -0.058 38.342 38.460 -0.100 0.000 0.985 404 Y HN 0.386 nan 8.280 nan 0.000 0.542 405 T N -2.048 112.567 114.554 0.102 0.000 3.065 405 T HA 0.189 4.539 4.350 -0.000 0.000 0.252 405 T C 0.764 175.514 174.700 0.083 0.000 1.099 405 T CA -0.183 61.983 62.100 0.111 0.000 1.063 405 T CB -0.022 68.897 68.868 0.086 0.000 0.948 405 T HN 0.037 nan 8.240 nan 0.000 0.506 406 R N 1.190 121.732 120.500 0.070 0.000 2.674 406 R HA 0.390 4.730 4.340 -0.000 0.000 0.266 406 R C -0.359 176.056 176.300 0.192 0.000 1.016 406 R CA -0.537 55.610 56.100 0.078 0.000 1.062 406 R CB 0.503 30.816 30.300 0.021 0.000 1.142 406 R HN 0.143 nan 8.270 nan 0.000 0.517 407 D N 0.533 121.022 120.400 0.148 0.000 2.870 407 D HA -0.185 4.455 4.640 -0.000 0.000 0.228 407 D C -0.459 175.956 176.300 0.192 0.000 1.147 407 D CA 0.995 55.110 54.000 0.191 0.000 0.757 407 D CB -1.021 39.935 40.800 0.260 0.000 1.091 407 D HN 0.424 nan 8.370 nan 0.000 0.429 408 I N 0.858 121.451 120.570 0.039 0.000 2.352 408 I HA 0.018 4.187 4.170 -0.000 0.000 0.290 408 I C 1.608 177.672 176.117 -0.089 0.000 1.036 408 I CA -0.058 61.139 61.300 -0.172 0.000 1.336 408 I CB 1.388 39.255 38.000 -0.222 0.000 1.407 408 I HN -0.175 nan 8.210 nan 0.000 0.497 409 S N 3.253 118.895 115.700 -0.096 0.000 2.398 409 S HA 0.083 4.553 4.470 -0.000 0.000 0.220 409 S C 0.555 175.148 174.600 -0.012 0.000 1.046 409 S CA 0.459 58.639 58.200 -0.034 0.000 0.953 409 S CB 0.227 63.415 63.200 -0.020 0.000 0.856 409 S HN 0.843 nan 8.310 nan 0.000 0.506 410 S N 0.145 115.848 115.700 0.005 0.000 2.661 410 S HA 0.728 5.198 4.470 -0.000 0.000 0.268 410 S C -1.125 173.546 174.600 0.118 0.000 1.162 410 S CA -0.311 57.924 58.200 0.058 0.000 0.817 410 S CB 1.588 64.831 63.200 0.072 0.000 1.141 410 S HN 0.594 nan 8.310 nan 0.000 0.477 411 S N -0.017 115.769 115.700 0.143 0.000 2.588 411 S HA 0.847 5.317 4.470 -0.000 0.000 0.269 411 S C -1.680 173.013 174.600 0.154 0.000 1.157 411 S CA -0.858 57.476 58.200 0.223 0.000 0.824 411 S CB 1.345 64.661 63.200 0.194 0.000 1.126 411 S HN 1.756 nan 8.310 nan 0.000 0.464 412 F N 1.375 121.330 119.950 0.009 0.000 2.639 412 F HA 0.627 5.153 4.527 -0.000 0.000 0.320 412 F C -0.849 174.956 175.800 0.008 0.000 1.128 412 F CA 0.126 58.009 58.000 -0.195 0.000 1.037 412 F CB 1.827 40.639 39.000 -0.313 0.000 1.288 412 F HN 1.099 nan 8.300 nan 0.000 0.463 413 S N 3.393 118.745 115.700 -0.581 0.000 2.566 413 S HA 0.993 5.462 4.470 -0.000 0.000 0.298 413 S C -0.651 173.697 174.600 -0.421 0.000 1.083 413 S CA -0.459 57.588 58.200 -0.255 0.000 0.978 413 S CB 1.964 65.176 63.200 0.019 0.000 1.073 413 S HN 1.182 nan 8.310 nan 0.000 0.491 414 G N -0.147 108.541 108.800 -0.186 0.000 2.617 414 G HA2 0.586 4.546 3.960 -0.000 0.000 0.306 414 G HA3 0.586 4.546 3.960 -0.000 0.000 0.306 414 G C -1.355 173.440 174.900 -0.174 0.000 1.360 414 G CA -0.687 44.282 45.100 -0.219 0.000 0.983 414 G HN 0.830 nan 8.290 nan 0.000 0.496 415 S N 1.015 116.597 115.700 -0.197 0.000 2.707 415 S HA 0.309 4.779 4.470 -0.000 0.000 0.312 415 S C 0.284 174.800 174.600 -0.141 0.000 1.116 415 S CA -0.741 57.410 58.200 -0.081 0.000 1.078 415 S CB 0.433 63.652 63.200 0.032 0.000 0.997 415 S HN 0.589 nan 8.310 nan 0.000 0.477 416 W N 3.367 124.705 121.300 0.064 0.000 2.374 416 W HA 0.009 4.669 4.660 -0.000 0.000 0.288 416 W C 2.373 178.879 176.519 -0.021 0.000 1.218 416 W CA 0.449 57.809 57.345 0.027 0.000 1.245 416 W CB -0.066 29.378 29.460 -0.028 0.000 1.126 416 W HN 0.597 nan 8.180 nan 0.000 0.545 417 R N 0.882 121.453 120.500 0.119 0.000 2.152 417 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 417 R C 1.622 177.935 176.300 0.021 0.000 1.117 417 R CA 1.196 57.319 56.100 0.038 0.000 0.981 417 R CB -0.214 30.083 30.300 -0.005 0.000 0.870 417 R HN -0.096 nan 8.270 nan 0.000 0.451 418 R N -0.327 120.175 120.500 0.003 0.000 2.427 418 R HA 0.176 4.516 4.340 -0.000 0.000 0.262 418 R C -0.352 175.913 176.300 -0.058 0.000 0.943 418 R CA 0.164 56.248 56.100 -0.027 0.000 1.081 418 R CB 0.636 30.920 30.300 -0.027 0.000 1.166 418 R HN 0.033 nan 8.270 nan 0.000 0.534 419 T N 1.565 116.090 114.554 -0.048 0.000 2.749 419 T HA 0.177 4.527 4.350 -0.000 0.000 0.287 419 T C 0.083 174.736 174.700 -0.079 0.000 0.970 419 T CA -0.421 61.621 62.100 -0.097 0.000 0.980 419 T CB 2.149 70.919 68.868 -0.163 0.000 0.924 419 T HN -0.034 nan 8.240 nan 0.000 0.456 420 K N 2.582 122.875 120.400 -0.178 0.000 2.484 420 K HA 0.007 4.327 4.320 -0.000 0.000 0.280 420 K C -0.295 176.142 176.600 -0.273 0.000 1.013 420 K CA 0.222 56.297 56.287 -0.354 0.000 1.029 420 K CB 0.035 32.211 32.500 -0.539 0.000 0.902 420 K HN 0.690 nan 8.250 nan 0.000 0.481 421 Y N 0.389 120.679 120.300 -0.016 0.000 4.929 421 Y HA -0.328 4.222 4.550 -0.000 0.000 0.252 421 Y C 0.808 176.714 175.900 0.010 0.000 0.950 421 Y CA 0.989 59.075 58.100 -0.023 0.000 1.935 421 Y CB -2.199 36.239 38.460 -0.038 0.000 1.440 421 Y HN 0.628 nan 8.280 nan 0.000 0.567 422 S N -1.650 114.147 115.700 0.162 0.000 3.526 422 S HA 0.123 4.593 4.470 -0.000 0.000 0.222 422 S C 0.779 175.521 174.600 0.238 0.000 1.001 422 S CA 0.111 58.438 58.200 0.212 0.000 0.831 422 S CB 0.599 64.042 63.200 0.405 0.000 0.941 422 S HN 0.397 nan 8.310 nan 0.000 0.585 423 E N 1.016 121.338 120.200 0.204 0.000 2.539 423 E HA -0.165 4.185 4.350 -0.000 0.000 0.253 423 E C -0.474 176.204 176.600 0.130 0.000 1.145 423 E CA 0.699 57.208 56.400 0.181 0.000 0.738 423 E CB -1.288 28.532 29.700 0.201 0.000 1.308 423 E HN 0.273 nan 8.360 nan 0.000 0.409 424 S N -2.793 112.976 115.700 0.115 0.000 2.715 424 S HA 0.505 4.975 4.470 -0.000 0.000 0.290 424 S C 0.064 174.630 174.600 -0.056 0.000 1.008 424 S CA -0.028 58.129 58.200 -0.071 0.000 0.850 424 S CB 1.265 64.330 63.200 -0.224 0.000 1.059 424 S HN 0.319 nan 8.310 nan 0.000 0.455 425 A N 1.965 124.588 122.820 -0.329 0.000 1.975 425 A HA 0.546 4.866 4.320 -0.000 0.000 0.215 425 A C 0.220 177.574 177.584 -0.383 0.000 1.170 425 A CA 1.389 53.062 52.037 -0.607 0.000 0.656 425 A CB -0.386 17.868 19.000 -1.243 0.000 0.821 425 A HN 1.590 nan 8.150 nan 0.000 0.449 426 W N -4.592 116.674 121.300 -0.057 0.000 3.079 426 W HA 0.622 5.282 4.660 -0.000 0.000 0.329 426 W C -0.592 175.888 176.519 -0.066 0.000 1.181 426 W CA -1.212 56.104 57.345 -0.050 0.000 1.160 426 W CB 0.163 29.601 29.460 -0.037 0.000 1.423 426 W HN 0.215 nan 8.180 nan 0.000 0.566 427 A N 1.602 124.566 122.820 0.239 0.000 2.354 427 A HA 0.562 4.882 4.320 -0.000 0.000 0.269 427 A C -0.613 177.027 177.584 0.093 0.000 1.109 427 A CA -0.556 51.476 52.037 -0.009 0.000 0.800 427 A CB 0.454 19.324 19.000 -0.215 0.000 1.045 427 A HN 0.744 nan 8.150 nan 0.000 0.489 428 N N 1.792 120.474 118.700 -0.030 0.000 2.623 428 N HA 0.292 5.031 4.740 -0.000 0.000 0.256 428 N C -1.380 174.141 175.510 0.018 0.000 1.045 428 N CA -0.531 52.566 53.050 0.077 0.000 0.863 428 N CB 0.471 39.029 38.487 0.119 0.000 1.182 428 N HN 0.664 nan 8.380 nan 0.000 0.523 429 W N 2.889 124.259 121.300 0.117 0.000 2.264 429 W HA 0.257 4.917 4.660 -0.000 0.000 0.331 429 W C 0.877 177.436 176.519 0.067 0.000 1.364 429 W CA -0.427 56.977 57.345 0.100 0.000 1.253 429 W CB 0.434 29.958 29.460 0.108 0.000 1.215 429 W HN 0.395 nan 8.180 nan 0.000 0.561 430 A N 4.183 127.171 122.820 0.280 0.000 2.548 430 A HA 0.499 4.819 4.320 -0.000 0.000 0.247 430 A C 0.874 178.564 177.584 0.177 0.000 1.067 430 A CA 0.755 52.900 52.037 0.180 0.000 0.757 430 A CB -0.767 18.318 19.000 0.142 0.000 0.996 430 A HN 1.514 nan 8.150 nan 0.000 0.504 441 T N -2.070 112.311 114.554 -0.287 0.000 2.828 441 T HA 0.458 4.808 4.350 -0.000 0.000 0.290 441 T C -1.363 173.299 174.700 -0.063 0.000 1.019 441 T CA -0.644 61.382 62.100 -0.124 0.000 1.031 441 T CB 0.764 69.590 68.868 -0.070 0.000 1.001 441 T HN -0.071 nan 8.240 nan 0.000 0.531 442 P HA -0.014 nan 4.420 nan 0.000 0.218 442 P C 1.165 178.483 177.300 0.031 0.000 1.149 442 P CA 0.934 64.043 63.100 0.015 0.000 0.817 442 P CB 0.061 31.778 31.700 0.029 0.000 0.785 443 E N -1.776 118.459 120.200 0.058 0.000 2.072 443 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 443 E C 1.957 178.567 176.600 0.015 0.000 0.982 443 E CA 0.848 57.321 56.400 0.122 0.000 0.803 443 E CB -1.059 28.818 29.700 0.296 0.000 0.755 443 E HN 0.331 nan 8.360 nan 0.000 0.453 444 Y N 1.550 121.555 120.300 -0.490 0.000 2.128 444 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 444 Y C 2.357 178.057 175.900 -0.333 0.000 1.154 444 Y CA 2.069 59.672 58.100 -0.829 0.000 1.149 444 Y CB 0.088 37.867 38.460 -1.134 0.000 0.976 444 Y HN 0.042 nan 8.280 nan 0.000 0.505 445 E N 0.169 120.405 120.200 0.060 0.000 2.110 445 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 445 E C 2.136 178.728 176.600 -0.012 0.000 0.988 445 E CA 1.427 57.852 56.400 0.042 0.000 0.804 445 E CB -0.150 29.580 29.700 0.051 0.000 0.745 445 E HN 0.302 nan 8.360 nan 0.000 0.458 446 K N 0.610 121.013 120.400 0.004 0.000 2.103 446 K HA -0.109 4.210 4.320 -0.000 0.000 0.207 446 K C 1.748 178.370 176.600 0.037 0.000 1.048 446 K CA 1.232 57.534 56.287 0.024 0.000 0.930 446 K CB -0.200 32.329 32.500 0.047 0.000 0.716 446 K HN 0.193 nan 8.250 nan 0.000 0.444 447 L N 0.713 121.947 121.223 0.017 0.000 2.599 447 L HA 0.075 4.415 4.340 -0.000 0.000 0.230 447 L C 1.416 178.330 176.870 0.073 0.000 1.141 447 L CA 0.028 54.913 54.840 0.077 0.000 0.877 447 L CB -0.085 41.997 42.059 0.038 0.000 1.009 447 L HN 0.153 nan 8.230 nan 0.000 0.447 448 L N -1.207 119.994 121.223 -0.036 0.000 2.418 448 L HA 0.042 4.382 4.340 -0.000 0.000 0.218 448 L C 0.852 177.737 176.870 0.024 0.000 1.125 448 L CA 0.277 55.102 54.840 -0.025 0.000 0.835 448 L CB -0.131 41.882 42.059 -0.077 0.000 0.953 448 L HN 0.183 nan 8.230 nan 0.000 0.454 449 E N 1.581 121.787 120.200 0.010 0.000 2.331 449 E HA 0.237 4.587 4.350 -0.000 0.000 0.272 449 E C -2.115 174.426 176.600 -0.099 0.000 1.036 449 E CA -2.196 54.178 56.400 -0.042 0.000 0.864 449 E CB 0.380 30.060 29.700 -0.034 0.000 1.035 449 E HN -0.037 nan 8.360 nan 0.000 0.408 450 P HA 0.052 nan 4.420 nan 0.000 0.271 450 P C -0.231 176.888 177.300 -0.303 0.000 1.218 450 P CA -0.239 62.524 63.100 -0.560 0.000 0.780 450 P CB 0.601 31.739 31.700 -0.937 0.000 0.901 451 V N 3.103 122.838 119.914 -0.298 0.000 2.218 451 V HA 0.077 4.197 4.120 -0.000 0.000 0.261 451 V C 1.031 177.033 176.094 -0.152 0.000 1.142 451 V CA 0.322 62.532 62.300 -0.151 0.000 0.965 451 V CB -0.749 31.026 31.823 -0.080 0.000 1.190 451 V HN 0.786 nan 8.190 nan 0.000 0.478 452 D N 3.634 123.958 120.400 -0.127 0.000 4.471 452 D HA -0.312 4.328 4.640 -0.000 0.000 0.191 452 D C 1.262 177.513 176.300 -0.081 0.000 0.625 452 D CA 2.471 56.422 54.000 -0.082 0.000 1.190 452 D CB -0.361 40.410 40.800 -0.047 0.000 0.677 452 D HN 0.544 nan 8.370 nan 0.000 0.467 453 K N -0.058 120.319 120.400 -0.039 0.000 2.373 453 K HA 0.416 4.735 4.320 -0.000 0.000 0.202 453 K C -0.097 176.572 176.600 0.114 0.000 1.025 453 K CA -0.102 56.249 56.287 0.106 0.000 1.115 453 K CB 0.791 33.283 32.500 -0.014 0.000 0.858 453 K HN 0.292 nan 8.250 nan 0.000 0.525 454 I N 1.522 122.021 120.570 -0.119 0.000 2.321 454 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 454 I C -0.777 175.079 176.117 -0.435 0.000 0.998 454 I CA -0.847 60.336 61.300 -0.195 0.000 1.227 454 I CB 0.699 38.530 38.000 -0.281 0.000 1.368 454 I HN -0.045 nan 8.210 nan 0.000 0.466 455 Y N 5.504 125.632 120.300 -0.287 0.000 2.377 455 Y HA 0.481 5.031 4.550 -0.000 0.000 0.339 455 Y C -0.310 175.377 175.900 -0.355 0.000 1.011 455 Y CA -0.671 57.270 58.100 -0.265 0.000 1.093 455 Y CB 1.478 39.874 38.460 -0.107 0.000 1.201 455 Y HN 0.304 nan 8.280 nan 0.000 0.455 456 F N 2.015 122.050 119.950 0.142 0.000 2.394 456 F HA 0.719 5.246 4.527 -0.000 0.000 0.340 456 F C 0.289 176.124 175.800 0.058 0.000 1.105 456 F CA -0.659 57.403 58.000 0.103 0.000 1.124 456 F CB 1.207 40.269 39.000 0.103 0.000 1.145 456 F HN 0.486 nan 8.300 nan 0.000 0.505 457 A N 1.444 124.400 122.820 0.226 0.000 2.539 457 A HA 0.963 5.283 4.320 -0.000 0.000 0.296 457 A C -0.390 177.239 177.584 0.075 0.000 1.073 457 A CA -0.135 51.944 52.037 0.070 0.000 0.700 457 A CB 1.756 20.766 19.000 0.017 0.000 1.296 457 A HN 1.367 nan 8.150 nan 0.000 0.405 458 G N 0.123 108.907 108.800 -0.027 0.000 2.352 458 G HA2 0.433 4.393 3.960 -0.000 0.000 0.302 458 G HA3 0.433 4.393 3.960 -0.000 0.000 0.302 458 G C -0.206 174.715 174.900 0.036 0.000 1.370 458 G CA 0.434 45.580 45.100 0.077 0.000 0.918 458 G HN 1.136 nan 8.290 nan 0.000 0.610 459 D N -0.766 119.741 120.400 0.178 0.000 2.310 459 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 459 D C 1.658 178.125 176.300 0.280 0.000 0.965 459 D CA 1.892 56.004 54.000 0.187 0.000 0.879 459 D CB -0.571 40.341 40.800 0.187 0.000 0.921 459 D HN 0.695 nan 8.370 nan 0.000 0.510 460 H N 0.505 119.729 119.070 0.257 0.000 2.491 460 H HA 0.038 4.594 4.556 -0.000 0.000 0.290 460 H C 1.257 176.948 175.328 0.606 0.000 1.050 460 H CA 0.301 56.615 56.048 0.444 0.000 1.309 460 H CB -0.562 29.386 29.762 0.310 0.000 1.392 460 H HN 0.200 nan 8.280 nan 0.000 0.554 461 L N 2.474 123.602 121.223 -0.159 0.000 3.036 461 L HA 0.216 4.556 4.340 -0.000 0.000 0.237 461 L C 0.131 176.941 176.870 -0.100 0.000 1.319 461 L CA -0.361 54.275 54.840 -0.339 0.000 1.112 461 L CB 0.109 41.875 42.059 -0.489 0.000 1.480 461 L HN 0.269 nan 8.230 nan 0.000 0.506 462 S N -2.932 112.917 115.700 0.249 0.000 2.685 462 S HA 0.351 4.821 4.470 -0.000 0.000 0.282 462 S C -0.025 174.770 174.600 0.326 0.000 1.159 462 S CA -0.885 57.469 58.200 0.257 0.000 0.833 462 S CB 1.407 64.698 63.200 0.151 0.000 1.151 462 S HN 0.217 nan 8.310 nan 0.000 0.485 463 N N 0.342 119.175 118.700 0.222 0.000 2.322 463 N HA 0.476 5.216 4.740 -0.000 0.000 0.216 463 N C -0.083 175.547 175.510 0.200 0.000 1.144 463 N CA 0.293 53.438 53.050 0.159 0.000 0.830 463 N CB 0.849 39.397 38.487 0.102 0.000 1.034 463 N HN 0.754 nan 8.380 nan 0.000 0.484 464 A N 0.574 123.549 122.820 0.258 0.000 3.234 464 A HA 0.307 4.626 4.320 -0.000 0.000 0.247 464 A C -0.108 177.712 177.584 0.392 0.000 0.938 464 A CA -0.551 51.703 52.037 0.362 0.000 1.039 464 A CB -0.227 18.967 19.000 0.324 0.000 1.197 464 A HN 0.139 nan 8.150 nan 0.000 0.498 465 I N 0.727 121.477 120.570 0.300 0.000 2.710 465 I HA 0.173 4.343 4.170 -0.000 0.000 0.286 465 I C 1.464 177.604 176.117 0.038 0.000 1.181 465 I CA 1.154 62.589 61.300 0.225 0.000 1.430 465 I CB 0.787 38.936 38.000 0.249 0.000 1.367 465 I HN 0.893 nan 8.210 nan 0.000 0.577 466 A N 4.186 126.999 122.820 -0.011 0.000 2.905 466 A HA -0.191 4.129 4.320 -0.000 0.000 0.260 466 A C -0.605 176.676 177.584 -0.505 0.000 1.398 466 A CA 0.836 52.711 52.037 -0.270 0.000 0.840 466 A CB -2.156 16.354 19.000 -0.817 0.000 1.059 466 A HN 0.777 nan 8.150 nan 0.000 0.647 467 W N -1.318 120.025 121.300 0.072 0.000 2.915 467 W HA 0.596 5.256 4.660 -0.000 0.000 0.337 467 W C 1.079 177.654 176.519 0.093 0.000 1.102 467 W CA -0.458 56.952 57.345 0.109 0.000 1.224 467 W CB 0.945 30.487 29.460 0.137 0.000 1.416 467 W HN 0.259 nan 8.180 nan 0.000 0.503 468 Q N 0.601 120.632 119.800 0.385 0.000 2.152 468 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 468 Q C 2.050 178.182 176.000 0.219 0.000 0.985 468 Q CA 1.857 57.821 55.803 0.267 0.000 0.863 468 Q CB -0.260 28.673 28.738 0.326 0.000 0.904 468 Q HN 0.550 nan 8.270 nan 0.000 0.422 469 H N -0.069 119.056 119.070 0.092 0.000 2.357 469 H HA -0.151 4.404 4.556 -0.000 0.000 0.296 469 H C 1.933 177.246 175.328 -0.025 0.000 1.108 469 H CA 1.745 57.733 56.048 -0.100 0.000 1.273 469 H CB -0.100 29.229 29.762 -0.721 0.000 1.367 469 H HN 0.362 nan 8.280 nan 0.000 0.498 470 G N -0.018 108.831 108.800 0.083 0.000 2.418 470 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 470 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 470 G C 1.974 176.881 174.900 0.011 0.000 1.158 470 G CA 1.182 46.323 45.100 0.068 0.000 0.771 470 G HN 0.577 nan 8.290 nan 0.000 0.545 471 A N 0.484 123.326 122.820 0.036 0.000 1.898 471 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 471 A C 2.442 179.991 177.584 -0.058 0.000 1.181 471 A CA 1.261 53.297 52.037 -0.002 0.000 0.620 471 A CB -0.373 18.626 19.000 -0.002 0.000 0.819 471 A HN 0.351 nan 8.150 nan 0.000 0.442 472 L N -0.163 121.023 121.223 -0.062 0.000 2.072 472 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 472 L C 2.959 179.778 176.870 -0.085 0.000 1.079 472 L CA 1.728 56.520 54.840 -0.080 0.000 0.752 472 L CB -0.888 41.166 42.059 -0.010 0.000 0.906 472 L HN 0.630 nan 8.230 nan 0.000 0.436 473 T N -4.360 110.090 114.554 -0.173 0.000 2.904 473 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 473 T C 2.064 176.695 174.700 -0.114 0.000 1.059 473 T CA 1.225 63.221 62.100 -0.173 0.000 1.137 473 T CB -0.210 68.476 68.868 -0.303 0.000 0.879 473 T HN 0.209 nan 8.240 nan 0.000 0.467 474 S N 1.545 117.186 115.700 -0.099 0.000 2.355 474 S HA 0.045 4.515 4.470 -0.000 0.000 0.222 474 S C 2.508 177.049 174.600 -0.099 0.000 1.031 474 S CA 1.221 59.370 58.200 -0.084 0.000 0.993 474 S CB -0.979 62.178 63.200 -0.072 0.000 0.859 474 S HN 0.718 nan 8.310 nan 0.000 0.453 475 A N 1.762 124.522 122.820 -0.101 0.000 1.883 475 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 475 A C 2.252 179.757 177.584 -0.133 0.000 1.186 475 A CA 1.729 53.695 52.037 -0.119 0.000 0.624 475 A CB -0.694 18.225 19.000 -0.135 0.000 0.822 475 A HN 0.650 nan 8.150 nan 0.000 0.444 476 R N -0.567 119.873 120.500 -0.099 0.000 2.092 476 R HA -0.093 4.247 4.340 -0.000 0.000 0.231 476 R C 1.614 177.805 176.300 -0.181 0.000 1.119 476 R CA 1.361 57.406 56.100 -0.092 0.000 0.970 476 R CB -0.338 29.952 30.300 -0.017 0.000 0.864 476 R HN 0.476 nan 8.270 nan 0.000 0.440 477 D N 0.013 120.286 120.400 -0.212 0.000 2.117 477 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 477 D C 1.933 177.866 176.300 -0.612 0.000 0.982 477 D CA 1.010 54.782 54.000 -0.381 0.000 0.828 477 D CB -0.158 40.489 40.800 -0.254 0.000 0.967 477 D HN -0.019 nan 8.370 nan 0.000 0.464 478 V N 0.564 120.272 119.914 -0.343 0.000 2.358 478 V HA -0.173 3.946 4.120 -0.000 0.000 0.246 478 V C 2.602 178.449 176.094 -0.411 0.000 1.047 478 V CA 0.882 63.006 62.300 -0.292 0.000 1.035 478 V CB -0.312 31.423 31.823 -0.146 0.000 0.658 478 V HN 0.055 nan 8.190 nan 0.000 0.452 479 V N -0.020 119.686 119.914 -0.346 0.000 2.407 479 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 479 V C 2.566 178.474 176.094 -0.309 0.000 1.055 479 V CA 2.628 64.716 62.300 -0.353 0.000 1.049 479 V CB -0.949 30.710 31.823 -0.274 0.000 0.662 479 V HN 0.619 nan 8.190 nan 0.000 0.455 480 T N -1.194 113.187 114.554 -0.287 0.000 2.746 480 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 480 T C 1.664 176.302 174.700 -0.103 0.000 1.039 480 T CA 1.905 63.892 62.100 -0.188 0.000 1.142 480 T CB -0.367 68.378 68.868 -0.205 0.000 0.866 480 T HN 0.677 nan 8.240 nan 0.000 0.444 481 H N 0.220 119.206 119.070 -0.141 0.000 2.357 481 H HA 0.096 4.652 4.556 -0.000 0.000 0.301 481 H C 2.220 177.403 175.328 -0.243 0.000 1.082 481 H CA 0.938 56.910 56.048 -0.126 0.000 1.342 481 H CB -0.123 29.612 29.762 -0.045 0.000 1.389 481 H HN 0.248 nan 8.280 nan 0.000 0.511 482 I N -0.056 120.282 120.570 -0.387 0.000 2.226 482 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 482 I C 2.440 178.384 176.117 -0.289 0.000 1.100 482 I CA 1.369 62.314 61.300 -0.591 0.000 1.374 482 I CB -0.167 37.338 38.000 -0.824 0.000 1.057 482 I HN 0.318 nan 8.210 nan 0.000 0.413 483 H N 1.073 119.998 119.070 -0.241 0.000 2.387 483 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 483 H C 2.078 177.372 175.328 -0.056 0.000 1.090 483 H CA 1.762 57.770 56.048 -0.068 0.000 1.332 483 H CB 0.119 29.860 29.762 -0.035 0.000 1.386 483 H HN 0.309 nan 8.280 nan 0.000 0.516 484 E N -0.174 120.023 120.200 -0.005 0.000 2.106 484 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 484 E C 2.327 178.891 176.600 -0.059 0.000 0.984 484 E CA 0.692 57.072 56.400 -0.032 0.000 0.806 484 E CB 0.010 29.734 29.700 0.039 0.000 0.750 484 E HN 0.387 nan 8.360 nan 0.000 0.458 485 R N 0.781 121.248 120.500 -0.054 0.000 2.075 485 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 485 R C 2.228 178.512 176.300 -0.027 0.000 1.126 485 R CA 1.009 57.097 56.100 -0.021 0.000 0.963 485 R CB -0.100 30.197 30.300 -0.004 0.000 0.858 485 R HN 0.008 nan 8.270 nan 0.000 0.435 486 V N 1.050 120.903 119.914 -0.102 0.000 2.407 486 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 486 V C 2.403 178.387 176.094 -0.184 0.000 1.055 486 V CA 1.855 64.071 62.300 -0.140 0.000 1.049 486 V CB -0.595 31.052 31.823 -0.293 0.000 0.662 486 V HN 0.549 nan 8.190 nan 0.000 0.455 487 A N -1.050 121.636 122.820 -0.223 0.000 1.972 487 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 487 A C 1.536 179.068 177.584 -0.087 0.000 1.169 487 A CA 0.990 52.918 52.037 -0.183 0.000 0.635 487 A CB -0.253 18.627 19.000 -0.200 0.000 0.810 487 A HN 0.639 nan 8.150 nan 0.000 0.446 488 Q N 0.000 119.768 119.800 -0.054 0.000 2.315 488 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 488 Q CA 0.000 55.792 55.803 -0.018 0.000 1.022 488 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481