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 2jb2_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 -0.035 0.000 0.868 4 D CB 0.000 40.776 40.800 -0.041 0.000 0.688 5 L N 2.197 123.394 121.223 -0.044 0.000 2.017 5 L HA 0.205 4.545 4.340 -0.000 0.000 0.208 5 L C 0.549 177.368 176.870 -0.085 0.000 1.073 5 L CA 1.804 56.614 54.840 -0.051 0.000 0.745 5 L CB -0.118 41.918 42.059 -0.038 0.000 0.894 5 L HN 0.609 nan 8.230 nan 0.000 0.432 6 I N -4.240 116.245 120.570 -0.142 0.000 3.074 6 I HA 0.676 4.846 4.170 -0.000 0.000 0.310 6 I C 0.518 176.522 176.117 -0.189 0.000 1.153 6 I CA -0.829 60.336 61.300 -0.226 0.000 0.993 6 I CB 1.130 38.793 38.000 -0.562 0.000 1.237 6 I HN -0.005 nan 8.210 nan 0.000 0.443 7 G N 1.955 110.697 108.800 -0.096 0.000 2.611 7 G HA2 0.269 4.229 3.960 -0.000 0.000 0.273 7 G HA3 0.269 4.229 3.960 -0.000 0.000 0.273 7 G C -0.385 174.519 174.900 0.006 0.000 1.305 7 G CA -0.662 44.442 45.100 0.007 0.000 1.010 7 G HN 0.576 nan 8.290 nan 0.000 0.509 8 K N -0.239 120.193 120.400 0.053 0.000 2.322 8 K HA 0.225 4.544 4.320 -0.000 0.000 0.283 8 K C -0.046 176.626 176.600 0.120 0.000 1.042 8 K CA -0.418 55.901 56.287 0.052 0.000 0.958 8 K CB 1.741 34.251 32.500 0.017 0.000 0.984 8 K HN 0.165 nan 8.250 nan 0.000 0.473 9 V N 3.223 123.189 119.914 0.087 0.000 2.686 9 V HA 0.050 4.170 4.120 -0.000 0.000 0.295 9 V C -0.288 175.767 176.094 -0.066 0.000 1.055 9 V CA -0.302 61.980 62.300 -0.030 0.000 1.050 9 V CB 0.594 32.146 31.823 -0.451 0.000 0.984 9 V HN 0.567 nan 8.190 nan 0.000 0.482 10 K N 4.844 125.210 120.400 -0.057 0.000 2.211 10 K HA 0.737 5.057 4.320 -0.000 0.000 0.275 10 K C 0.347 177.005 176.600 0.096 0.000 1.024 10 K CA 0.676 56.964 56.287 0.001 0.000 0.887 10 K CB 1.075 33.572 32.500 -0.004 0.000 1.084 10 K HN 1.237 nan 8.250 nan 0.000 0.463 11 G N 0.914 109.746 108.800 0.053 0.000 2.587 11 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.212 11 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.212 11 G C -0.945 173.913 174.900 -0.070 0.000 1.327 11 G CA -0.443 44.666 45.100 0.014 0.000 0.898 11 G HN 0.576 nan 8.290 nan 0.000 0.551 12 S N 0.323 115.842 115.700 -0.301 0.000 2.474 12 S HA 0.724 5.193 4.470 -0.000 0.000 0.321 12 S C -0.625 173.607 174.600 -0.614 0.000 1.080 12 S CA -0.275 57.745 58.200 -0.300 0.000 1.106 12 S CB 0.312 63.396 63.200 -0.194 0.000 0.984 12 S HN 0.863 nan 8.310 nan 0.000 0.464 13 H N 1.309 120.357 119.070 -0.036 0.000 2.856 13 H HA 0.518 5.074 4.556 -0.000 0.000 0.355 13 H C -0.502 174.937 175.328 0.185 0.000 1.079 13 H CA -0.707 55.385 56.048 0.074 0.000 1.240 13 H CB 1.870 31.680 29.762 0.080 0.000 1.701 13 H HN 0.579 nan 8.280 nan 0.000 0.527 14 S N 1.741 117.610 115.700 0.281 0.000 2.568 14 S HA 0.846 5.316 4.470 -0.000 0.000 0.302 14 S C -0.846 173.906 174.600 0.252 0.000 1.082 14 S CA -0.743 57.591 58.200 0.223 0.000 1.009 14 S CB 1.738 64.998 63.200 0.099 0.000 1.069 14 S HN 0.324 nan 8.310 nan 0.000 0.500 15 V N 1.594 121.612 119.914 0.174 0.000 2.760 15 V HA 0.622 4.742 4.120 -0.000 0.000 0.309 15 V C -0.697 175.424 176.094 0.044 0.000 1.077 15 V CA -0.850 61.520 62.300 0.117 0.000 0.910 15 V CB 1.868 33.713 31.823 0.037 0.000 1.008 15 V HN 0.874 nan 8.190 nan 0.000 0.424 16 V N 5.705 125.636 119.914 0.029 0.000 2.435 16 V HA 0.646 4.766 4.120 -0.000 0.000 0.290 16 V C -0.582 175.490 176.094 -0.037 0.000 1.030 16 V CA -0.151 62.140 62.300 -0.015 0.000 0.881 16 V CB 1.897 33.712 31.823 -0.013 0.000 0.983 16 V HN 0.660 nan 8.190 nan 0.000 0.445 17 V N 8.084 127.952 119.914 -0.077 0.000 2.357 17 V HA 0.435 4.555 4.120 -0.000 0.000 0.284 17 V C -0.428 175.595 176.094 -0.118 0.000 1.018 17 V CA -0.606 61.638 62.300 -0.092 0.000 0.841 17 V CB 1.382 33.138 31.823 -0.112 0.000 0.991 17 V HN 0.708 nan 8.190 nan 0.000 0.437 18 L N 4.957 126.127 121.223 -0.088 0.000 2.261 18 L HA 0.813 5.153 4.340 -0.000 0.000 0.289 18 L C 0.717 177.526 176.870 -0.101 0.000 1.059 18 L CA 0.500 55.280 54.840 -0.099 0.000 0.816 18 L CB 0.737 42.768 42.059 -0.047 0.000 1.191 18 L HN 0.936 nan 8.230 nan 0.000 0.431 19 G N 1.991 110.699 108.800 -0.153 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 0.040 174.836 174.900 -0.173 0.000 1.105 19 G CA -0.566 44.443 45.100 -0.153 0.000 0.831 19 G HN 0.944 nan 8.290 nan 0.000 0.578 20 G N 0.945 109.631 108.800 -0.189 0.000 4.291 20 G HA2 0.696 4.655 3.960 -0.000 0.000 0.304 20 G HA3 0.696 4.655 3.960 -0.000 0.000 0.304 20 G C 0.874 175.682 174.900 -0.153 0.000 1.264 20 G CA 0.916 45.906 45.100 -0.183 0.000 1.039 20 G HN 1.300 nan 8.290 nan 0.000 0.578 21 G N 0.618 109.310 108.800 -0.179 0.000 2.494 21 G HA2 0.429 4.389 3.960 -0.000 0.000 0.270 21 G HA3 0.429 4.389 3.960 -0.000 0.000 0.270 21 G C -1.045 173.650 174.900 -0.341 0.000 1.423 21 G CA -0.811 44.137 45.100 -0.253 0.000 1.055 21 G HN 0.017 nan 8.290 nan 0.000 0.536 22 P HA -0.054 nan 4.420 nan 0.000 0.216 22 P C 2.078 179.223 177.300 -0.259 0.000 1.153 22 P CA 2.235 65.105 63.100 -0.384 0.000 0.848 22 P CB 0.056 31.563 31.700 -0.321 0.000 0.787 23 A N -0.300 122.407 122.820 -0.189 0.000 1.898 23 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 23 A C 2.466 179.938 177.584 -0.187 0.000 1.181 23 A CA 2.037 53.982 52.037 -0.153 0.000 0.620 23 A CB -1.828 17.128 19.000 -0.074 0.000 0.819 23 A HN 0.271 nan 8.150 nan 0.000 0.442 24 G N -0.210 108.480 108.800 -0.184 0.000 2.404 24 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.215 24 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.215 24 G C 1.554 176.314 174.900 -0.233 0.000 1.174 24 G CA 0.979 45.970 45.100 -0.180 0.000 0.780 24 G HN 0.414 nan 8.290 nan 0.000 0.537 25 L N -0.036 121.001 121.223 -0.310 0.000 2.093 25 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 25 L C 2.973 179.452 176.870 -0.651 0.000 1.085 25 L CA 0.758 55.351 54.840 -0.412 0.000 0.755 25 L CB -0.548 41.263 42.059 -0.413 0.000 0.904 25 L HN 0.395 nan 8.230 nan 0.000 0.435 26 C N -0.607 118.221 119.300 -0.787 0.000 2.425 26 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 26 C C 3.152 178.020 174.990 -0.204 0.000 1.280 26 C CA 1.295 59.925 59.018 -0.648 0.000 1.744 26 C CB -0.545 26.870 27.740 -0.543 0.000 1.989 26 C HN 0.511 nan 8.230 nan 0.000 0.491 27 S N 0.873 116.453 115.700 -0.199 0.000 2.348 27 S HA -0.092 4.378 4.470 -0.000 0.000 0.221 27 S C 2.228 176.764 174.600 -0.106 0.000 1.033 27 S CA 1.552 59.665 58.200 -0.145 0.000 1.010 27 S CB -0.624 62.480 63.200 -0.160 0.000 0.891 27 S HN 0.841 nan 8.310 nan 0.000 0.442 28 A N 0.911 123.674 122.820 -0.095 0.000 1.902 28 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 28 A C 1.908 179.521 177.584 0.047 0.000 1.181 28 A CA 1.388 53.399 52.037 -0.043 0.000 0.623 28 A CB -0.874 18.097 19.000 -0.048 0.000 0.818 28 A HN 0.488 nan 8.150 nan 0.000 0.443 29 F N 1.044 120.956 119.950 -0.064 0.000 2.095 29 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 29 F C 2.285 178.122 175.800 0.061 0.000 1.104 29 F CA 2.258 60.293 58.000 0.058 0.000 1.232 29 F CB -0.052 39.065 39.000 0.195 0.000 0.987 29 F HN 0.227 nan 8.300 nan 0.000 0.475 30 E N 0.599 120.846 120.200 0.078 0.000 2.072 30 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 30 E C 2.464 178.989 176.600 -0.125 0.000 0.985 30 E CA 1.267 57.633 56.400 -0.057 0.000 0.801 30 E CB -0.720 29.004 29.700 0.039 0.000 0.750 30 E HN 0.471 nan 8.360 nan 0.000 0.452 31 L N 0.878 122.024 121.223 -0.129 0.000 2.046 31 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 31 L C 2.852 179.754 176.870 0.053 0.000 1.077 31 L CA 1.307 56.060 54.840 -0.146 0.000 0.747 31 L CB -0.372 41.521 42.059 -0.275 0.000 0.896 31 L HN 0.163 nan 8.230 nan 0.000 0.432 32 Q N 0.333 120.129 119.800 -0.006 0.000 2.084 32 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 32 Q C 2.199 178.173 176.000 -0.043 0.000 0.978 32 Q CA 1.483 57.290 55.803 0.007 0.000 0.844 32 Q CB 0.110 28.839 28.738 -0.015 0.000 0.898 32 Q HN 0.383 nan 8.270 nan 0.000 0.426 33 K N -0.353 119.954 120.400 -0.156 0.000 2.103 33 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 33 K C 1.761 178.315 176.600 -0.075 0.000 1.048 33 K CA 1.227 57.407 56.287 -0.177 0.000 0.930 33 K CB -0.088 32.237 32.500 -0.291 0.000 0.716 33 K HN 0.224 nan 8.250 nan 0.000 0.444 34 A N -0.174 122.637 122.820 -0.015 0.000 2.218 34 A HA 0.191 4.511 4.320 -0.000 0.000 0.209 34 A C 1.248 178.866 177.584 0.056 0.000 1.168 34 A CA 0.884 52.939 52.037 0.031 0.000 0.804 34 A CB 0.030 19.064 19.000 0.057 0.000 0.834 34 A HN 0.423 nan 8.150 nan 0.000 0.482 35 G N -2.336 106.504 108.800 0.067 0.000 2.138 35 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.193 35 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.193 35 G C -0.085 174.815 174.900 -0.001 0.000 0.998 35 G CA -0.051 45.056 45.100 0.012 0.000 0.668 35 G HN 0.394 nan 8.290 nan 0.000 0.516 36 Y N 0.147 120.469 120.300 0.036 0.000 2.301 36 Y HA 0.507 5.057 4.550 -0.000 0.000 0.328 36 Y C 0.915 176.840 175.900 0.040 0.000 1.242 36 Y CA -0.082 58.057 58.100 0.065 0.000 1.323 36 Y CB 0.799 39.294 38.460 0.058 0.000 1.266 36 Y HN 0.092 nan 8.280 nan 0.000 0.527 37 K N 2.573 123.095 120.400 0.204 0.000 2.297 37 K HA 0.451 4.771 4.320 -0.000 0.000 0.286 37 K C -1.441 175.237 176.600 0.129 0.000 1.053 37 K CA -0.380 55.982 56.287 0.125 0.000 0.940 37 K CB 0.211 32.760 32.500 0.082 0.000 1.019 37 K HN 0.466 nan 8.250 nan 0.000 0.475 38 V N 0.716 120.676 119.914 0.076 0.000 2.789 38 V HA 0.737 4.857 4.120 -0.000 0.000 0.311 38 V C -0.897 175.198 176.094 0.002 0.000 1.073 38 V CA -0.536 61.785 62.300 0.036 0.000 0.921 38 V CB 2.012 33.844 31.823 0.015 0.000 1.009 38 V HN 0.732 nan 8.190 nan 0.000 0.426 39 T N 3.428 117.966 114.554 -0.026 0.000 2.879 39 T HA 0.649 4.999 4.350 -0.000 0.000 0.290 39 T C -0.574 174.055 174.700 -0.117 0.000 0.993 39 T CA -0.452 61.609 62.100 -0.066 0.000 0.975 39 T CB 1.667 70.502 68.868 -0.056 0.000 0.981 39 T HN 0.751 nan 8.240 nan 0.000 0.439 40 V N 4.510 124.323 119.914 -0.169 0.000 2.435 40 V HA 0.498 4.618 4.120 -0.000 0.000 0.290 40 V C -0.347 175.550 176.094 -0.328 0.000 1.030 40 V CA -0.821 61.342 62.300 -0.228 0.000 0.881 40 V CB 1.399 33.079 31.823 -0.239 0.000 0.983 40 V HN 0.718 nan 8.190 nan 0.000 0.445 41 L N 4.300 125.319 121.223 -0.340 0.000 2.294 41 L HA 0.613 4.953 4.340 -0.000 0.000 0.283 41 L C -0.402 176.239 176.870 -0.382 0.000 1.015 41 L CA -0.387 54.191 54.840 -0.437 0.000 0.831 41 L CB 1.576 43.343 42.059 -0.486 0.000 1.217 41 L HN 0.617 nan 8.230 nan 0.000 0.420 42 E N 2.174 122.117 120.200 -0.428 0.000 2.176 42 E HA 0.517 4.867 4.350 -0.000 0.000 0.267 42 E C 0.293 176.719 176.600 -0.290 0.000 0.893 42 E CA -0.313 55.881 56.400 -0.343 0.000 0.761 42 E CB 2.093 31.575 29.700 -0.363 0.000 1.133 42 E HN 0.547 nan 8.360 nan 0.000 0.409 43 A N 5.400 127.989 122.820 -0.386 0.000 1.930 43 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 43 A C 1.101 178.445 177.584 -0.400 0.000 1.175 43 A CA 0.941 52.628 52.037 -0.583 0.000 0.627 43 A CB -0.204 17.962 19.000 -1.389 0.000 0.815 43 A HN 0.609 nan 8.150 nan 0.000 0.443 44 R N -0.743 119.604 120.500 -0.255 0.000 2.652 44 R HA 0.302 4.642 4.340 -0.000 0.000 0.271 44 R C 0.939 177.295 176.300 0.093 0.000 1.129 44 R CA 0.601 56.681 56.100 -0.034 0.000 1.200 44 R CB 0.043 30.330 30.300 -0.021 0.000 1.146 44 R HN 0.372 nan 8.270 nan 0.000 0.581 45 T N -1.782 112.805 114.554 0.055 0.000 3.244 45 T HA 0.167 4.517 4.350 -0.000 0.000 0.254 45 T C 0.180 174.788 174.700 -0.153 0.000 1.024 45 T CA -0.479 61.626 62.100 0.008 0.000 0.920 45 T CB -0.410 68.458 68.868 -0.001 0.000 1.042 45 T HN 0.589 nan 8.240 nan 0.000 0.572 46 R N -0.385 120.065 120.500 -0.085 0.000 2.740 46 R HA 0.732 5.072 4.340 -0.000 0.000 0.273 46 R C -3.440 172.853 176.300 -0.011 0.000 0.998 46 R CA -2.219 53.789 56.100 -0.153 0.000 0.900 46 R CB 0.833 31.126 30.300 -0.013 0.000 1.223 46 R HN -0.079 nan 8.270 nan 0.000 0.466 47 P HA 0.258 nan 4.420 nan 0.000 0.284 47 P C 0.114 177.369 177.300 -0.076 0.000 1.258 47 P CA 0.248 63.354 63.100 0.010 0.000 0.824 47 P CB 1.640 33.290 31.700 -0.084 0.000 1.038 48 G N 0.336 109.091 108.800 -0.076 0.000 2.380 48 G HA2 0.036 3.996 3.960 -0.000 0.000 0.197 48 G HA3 0.036 3.996 3.960 -0.000 0.000 0.197 48 G C 0.666 175.442 174.900 -0.207 0.000 1.001 48 G CA 0.357 45.338 45.100 -0.198 0.000 0.668 48 G HN 0.910 nan 8.290 nan 0.000 0.483 49 G N 0.556 109.304 108.800 -0.087 0.000 2.602 49 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.310 49 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.310 49 G C 0.924 175.850 174.900 0.043 0.000 1.183 49 G CA 1.290 46.362 45.100 -0.047 0.000 0.979 49 G HN 1.075 nan 8.290 nan 0.000 0.545 50 R N -0.015 120.438 120.500 -0.080 0.000 2.323 50 R HA 0.251 4.591 4.340 -0.000 0.000 0.198 50 R C 0.540 176.791 176.300 -0.082 0.000 0.988 50 R CA 0.508 56.440 56.100 -0.280 0.000 1.041 50 R CB 0.051 30.044 30.300 -0.513 0.000 0.926 50 R HN 0.243 nan 8.270 nan 0.000 0.476 51 V N 1.622 121.541 119.914 0.009 0.000 2.322 51 V HA 0.092 4.211 4.120 -0.000 0.000 0.258 51 V C -0.838 175.457 176.094 0.335 0.000 1.074 51 V CA -0.432 61.952 62.300 0.140 0.000 0.909 51 V CB 0.268 32.126 31.823 0.059 0.000 1.090 51 V HN 0.208 nan 8.190 nan 0.000 0.486 52 W N 4.563 125.991 121.300 0.212 0.000 2.781 52 W HA 0.645 5.305 4.660 -0.000 0.000 0.333 52 W C -0.491 176.112 176.519 0.139 0.000 1.047 52 W CA -0.846 56.629 57.345 0.217 0.000 1.236 52 W CB 1.946 31.612 29.460 0.344 0.000 1.394 52 W HN 0.389 nan 8.180 nan 0.000 0.466 53 T N 5.071 119.704 114.554 0.131 0.000 2.786 53 T HA 0.664 5.013 4.350 -0.000 0.000 0.283 53 T C -0.182 174.339 174.700 -0.299 0.000 0.992 53 T CA -0.380 61.657 62.100 -0.105 0.000 0.954 53 T CB 1.087 69.949 68.868 -0.009 0.000 0.934 53 T HN 0.538 nan 8.240 nan 0.000 0.440 54 A N 4.813 127.294 122.820 -0.566 0.000 2.309 54 A HA 0.701 5.021 4.320 -0.000 0.000 0.290 54 A C 0.370 177.863 177.584 -0.152 0.000 1.206 54 A CA -0.497 51.165 52.037 -0.625 0.000 0.850 54 A CB 0.358 18.745 19.000 -1.022 0.000 1.118 54 A HN 0.831 nan 8.150 nan 0.000 0.523 55 R N 1.459 121.869 120.500 -0.151 0.000 2.950 55 R HA 0.588 4.928 4.340 -0.000 0.000 0.253 55 R C 0.393 176.630 176.300 -0.105 0.000 1.168 55 R CA -0.668 55.464 56.100 0.052 0.000 1.014 55 R CB 1.241 31.578 30.300 0.061 0.000 1.228 55 R HN 0.788 nan 8.270 nan 0.000 0.487 56 G N -0.461 108.346 108.800 0.012 0.000 2.254 56 G HA2 0.318 4.278 3.960 -0.000 0.000 0.253 56 G HA3 0.318 4.278 3.960 -0.000 0.000 0.253 56 G C 0.835 175.693 174.900 -0.070 0.000 1.246 56 G CA 0.820 45.891 45.100 -0.050 0.000 0.946 56 G HN 0.793 nan 8.290 nan 0.000 0.474 57 G N 1.536 110.274 108.800 -0.104 0.000 2.254 57 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.225 57 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.225 57 G C 0.777 175.633 174.900 -0.074 0.000 1.003 57 G CA 0.264 45.323 45.100 -0.069 0.000 0.622 57 G HN 1.162 nan 8.290 nan 0.000 0.507 58 S N 1.137 116.751 115.700 -0.143 0.000 2.546 58 S HA 0.426 4.896 4.470 -0.000 0.000 0.290 58 S C 0.098 174.675 174.600 -0.038 0.000 1.290 58 S CA 0.654 58.787 58.200 -0.112 0.000 1.069 58 S CB 1.422 64.434 63.200 -0.313 0.000 0.846 58 S HN 0.579 nan 8.310 nan 0.000 0.495 59 E N 1.672 121.930 120.200 0.098 0.000 2.248 59 E HA 0.478 4.828 4.350 -0.000 0.000 0.267 59 E C -1.212 175.516 176.600 0.212 0.000 0.877 59 E CA -0.570 55.922 56.400 0.153 0.000 0.759 59 E CB 1.329 31.074 29.700 0.075 0.000 1.182 59 E HN 0.532 nan 8.360 nan 0.000 0.418 60 E N 1.949 122.296 120.200 0.246 0.000 2.290 60 E HA 0.323 4.673 4.350 -0.000 0.000 0.274 60 E C -1.804 174.831 176.600 0.059 0.000 0.889 60 E CA -0.506 55.992 56.400 0.164 0.000 0.760 60 E CB 2.020 31.919 29.700 0.332 0.000 1.206 60 E HN 0.309 nan 8.360 nan 0.000 0.419 61 T N 4.256 118.812 114.554 0.003 0.000 2.756 61 T HA 0.349 4.699 4.350 -0.000 0.000 0.290 61 T C -0.646 174.020 174.700 -0.057 0.000 0.985 61 T CA -0.808 61.278 62.100 -0.024 0.000 0.955 61 T CB 0.478 69.334 68.868 -0.021 0.000 0.930 61 T HN 0.548 nan 8.240 nan 0.000 0.451 62 D N 2.426 122.790 120.400 -0.060 0.000 2.447 62 D HA 0.165 4.805 4.640 -0.000 0.000 0.265 62 D C 1.151 177.408 176.300 -0.072 0.000 1.250 62 D CA -0.890 53.064 54.000 -0.076 0.000 1.046 62 D CB 0.592 41.350 40.800 -0.069 0.000 1.095 62 D HN 0.323 nan 8.370 nan 0.000 0.555 63 L N -0.394 120.786 121.223 -0.072 0.000 2.552 63 L HA -0.029 4.311 4.340 -0.000 0.000 0.227 63 L C 2.011 178.853 176.870 -0.045 0.000 1.146 63 L CA 0.837 55.637 54.840 -0.067 0.000 0.858 63 L CB -0.420 41.600 42.059 -0.066 0.000 0.969 63 L HN 0.501 nan 8.230 nan 0.000 0.451 64 S N -0.989 114.689 115.700 -0.036 0.000 2.558 64 S HA 0.119 4.589 4.470 -0.000 0.000 0.217 64 S C 1.541 176.127 174.600 -0.023 0.000 0.975 64 S CA 0.432 58.617 58.200 -0.025 0.000 0.912 64 S CB 0.364 63.554 63.200 -0.016 0.000 0.776 64 S HN 0.490 nan 8.310 nan 0.000 0.526 65 G N 0.794 109.577 108.800 -0.030 0.000 2.141 65 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 65 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 65 G C -0.243 174.645 174.900 -0.019 0.000 0.982 65 G CA 0.208 45.293 45.100 -0.025 0.000 0.662 65 G HN 0.736 nan 8.290 nan 0.000 0.527 66 E N 0.870 121.057 120.200 -0.021 0.000 2.259 66 E HA 0.535 4.885 4.350 -0.000 0.000 0.281 66 E C -0.317 176.267 176.600 -0.027 0.000 1.027 66 E CA -0.227 56.163 56.400 -0.018 0.000 0.838 66 E CB 0.561 30.255 29.700 -0.011 0.000 1.066 66 E HN 0.087 nan 8.360 nan 0.000 0.401 67 T N 4.943 119.486 114.554 -0.020 0.000 2.758 67 T HA 0.227 4.577 4.350 -0.000 0.000 0.285 67 T C -0.552 174.131 174.700 -0.029 0.000 0.981 67 T CA -0.548 61.544 62.100 -0.014 0.000 0.965 67 T CB 1.118 69.987 68.868 0.001 0.000 0.927 67 T HN 0.458 nan 8.240 nan 0.000 0.448 68 Q N 2.267 122.039 119.800 -0.046 0.000 2.245 68 Q HA 0.461 4.801 4.340 -0.000 0.000 0.256 68 Q C -0.504 175.561 176.000 0.109 0.000 0.942 68 Q CA -0.791 54.967 55.803 -0.076 0.000 0.896 68 Q CB 1.945 30.451 28.738 -0.386 0.000 1.272 68 Q HN 0.436 nan 8.270 nan 0.000 0.442 69 K N 1.344 121.794 120.400 0.083 0.000 2.483 69 K HA 0.294 4.614 4.320 -0.000 0.000 0.256 69 K C -1.015 175.592 176.600 0.013 0.000 0.961 69 K CA -0.522 55.808 56.287 0.072 0.000 0.873 69 K CB 1.565 34.073 32.500 0.014 0.000 1.107 69 K HN 0.575 nan 8.250 nan 0.000 0.432 70 C N 2.896 122.124 119.300 -0.121 0.000 2.637 70 C HA 0.198 4.658 4.460 -0.000 0.000 0.418 70 C C 1.396 176.193 174.990 -0.321 0.000 1.319 70 C CA 0.263 59.020 59.018 -0.436 0.000 1.949 70 C CB -0.690 26.460 27.740 -0.983 0.000 2.639 70 C HN 0.952 nan 8.230 nan 0.000 0.594 71 T N 2.512 116.872 114.554 -0.322 0.000 3.380 71 T HA 0.305 4.655 4.350 -0.000 0.000 0.289 71 T C -0.154 174.535 174.700 -0.018 0.000 1.012 71 T CA -0.378 61.643 62.100 -0.131 0.000 0.944 71 T CB -0.590 68.240 68.868 -0.062 0.000 1.172 71 T HN 0.445 nan 8.240 nan 0.000 0.502 72 F N 2.775 122.702 119.950 -0.038 0.000 2.595 72 F HA 0.392 4.919 4.527 -0.000 0.000 0.359 72 F C 1.374 177.166 175.800 -0.013 0.000 1.147 72 F CA -0.834 57.150 58.000 -0.028 0.000 1.341 72 F CB -0.012 38.988 39.000 0.000 0.000 1.104 72 F HN 0.113 nan 8.300 nan 0.000 0.603 73 S N 0.515 116.318 115.700 0.171 0.000 2.576 73 S HA -0.014 4.456 4.470 -0.000 0.000 0.272 73 S C 0.135 174.844 174.600 0.182 0.000 1.352 73 S CA -0.752 57.504 58.200 0.093 0.000 1.021 73 S CB 0.190 63.359 63.200 -0.052 0.000 0.887 73 S HN 0.594 nan 8.310 nan 0.000 0.542 74 E N 0.095 120.378 120.200 0.138 0.000 2.465 74 E HA 0.245 4.595 4.350 -0.000 0.000 0.260 74 E C 1.191 177.892 176.600 0.168 0.000 0.980 74 E CA 0.726 57.204 56.400 0.130 0.000 0.927 74 E CB -0.186 29.565 29.700 0.084 0.000 0.934 74 E HN 0.873 nan 8.360 nan 0.000 0.459 75 G N 3.721 112.605 108.800 0.140 0.000 2.205 75 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.261 75 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.261 75 G C -0.244 174.698 174.900 0.069 0.000 0.980 75 G CA 0.511 45.686 45.100 0.126 0.000 0.632 75 G HN 0.723 nan 8.290 nan 0.000 0.533 76 H N -0.235 118.895 119.070 0.099 0.000 2.458 76 H HA 0.698 5.254 4.556 -0.000 0.000 0.330 76 H C 0.164 175.533 175.328 0.068 0.000 1.111 76 H CA 0.171 56.176 56.048 -0.071 0.000 1.245 76 H CB 1.005 30.607 29.762 -0.267 0.000 1.456 76 H HN 0.590 nan 8.280 nan 0.000 0.488 77 F N 0.473 120.403 119.950 -0.033 0.000 2.779 77 F HA 0.557 5.084 4.527 -0.000 0.000 0.316 77 F C -1.952 173.852 175.800 0.007 0.000 1.164 77 F CA -1.492 56.527 58.000 0.032 0.000 0.924 77 F CB 1.216 40.234 39.000 0.029 0.000 1.348 77 F HN 0.488 nan 8.300 nan 0.000 0.467 78 Y N -0.560 119.820 120.300 0.134 0.000 2.571 78 Y HA 0.579 5.129 4.550 -0.000 0.000 0.341 78 Y C -1.909 174.145 175.900 0.257 0.000 1.076 78 Y CA -1.634 56.523 58.100 0.096 0.000 1.029 78 Y CB 1.309 39.706 38.460 -0.105 0.000 1.308 78 Y HN 0.733 nan 8.280 nan 0.000 0.461 79 N N 1.932 120.786 118.700 0.255 0.000 2.420 79 N HA 0.258 4.998 4.740 -0.000 0.000 0.262 79 N C 0.342 175.852 175.510 0.001 0.000 1.144 79 N CA -0.375 52.744 53.050 0.115 0.000 0.952 79 N CB 1.810 40.461 38.487 0.274 0.000 1.081 79 N HN 0.584 nan 8.380 nan 0.000 0.480 80 V N 1.484 121.279 119.914 -0.199 0.000 2.719 80 V HA 0.011 4.131 4.120 -0.000 0.000 0.252 80 V C 1.523 177.912 176.094 0.491 0.000 1.065 80 V CA 1.608 63.908 62.300 0.000 0.000 1.086 80 V CB -0.555 31.055 31.823 -0.356 0.000 0.700 80 V HN 0.810 nan 8.190 nan 0.000 0.467 81 G N -0.869 108.206 108.800 0.459 0.000 3.306 81 G HA2 0.536 4.496 3.960 -0.000 0.000 0.202 81 G HA3 0.536 4.496 3.960 -0.000 0.000 0.202 81 G C 0.312 175.262 174.900 0.084 0.000 1.673 81 G CA 0.126 45.371 45.100 0.242 0.000 0.776 81 G HN 0.462 nan 8.290 nan 0.000 0.740 82 A N -0.689 122.166 122.820 0.059 0.000 2.587 82 A HA 0.459 4.779 4.320 -0.000 0.000 0.235 82 A C 0.900 178.542 177.584 0.097 0.000 1.044 82 A CA 1.566 53.639 52.037 0.061 0.000 0.754 82 A CB 0.281 19.349 19.000 0.113 0.000 0.968 82 A HN 0.763 nan 8.150 nan 0.000 0.509 83 T N 0.899 115.476 114.554 0.037 0.000 3.074 83 T HA 0.188 4.538 4.350 -0.000 0.000 0.258 83 T C 0.356 174.921 174.700 -0.225 0.000 0.891 83 T CA 0.465 62.583 62.100 0.031 0.000 0.867 83 T CB -0.042 68.899 68.868 0.122 0.000 1.261 83 T HN 0.958 nan 8.240 nan 0.000 0.537 84 R N 0.740 121.076 120.500 -0.273 0.000 2.725 84 R HA 0.779 5.119 4.340 -0.000 0.000 0.277 84 R C -1.709 174.595 176.300 0.008 0.000 0.987 84 R CA -0.902 54.919 56.100 -0.465 0.000 0.901 84 R CB 1.485 31.205 30.300 -0.966 0.000 1.207 84 R HN 0.188 nan 8.270 nan 0.000 0.463 85 I N 2.149 122.712 120.570 -0.012 0.000 2.534 85 I HA 0.406 4.576 4.170 -0.000 0.000 0.288 85 I C -2.443 173.626 176.117 -0.081 0.000 1.077 85 I CA -2.504 58.826 61.300 0.050 0.000 1.051 85 I CB 2.814 40.899 38.000 0.141 0.000 1.234 85 I HN 0.493 nan 8.210 nan 0.000 0.425 86 P HA 0.238 nan 4.420 nan 0.000 0.278 86 P C -0.328 176.793 177.300 -0.298 0.000 1.258 86 P CA -0.374 62.469 63.100 -0.428 0.000 0.811 86 P CB 1.063 32.255 31.700 -0.847 0.000 1.063 87 Q N 0.171 119.863 119.800 -0.180 0.000 2.291 87 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 87 Q C 1.829 177.750 176.000 -0.131 0.000 0.970 87 Q CA 1.862 57.607 55.803 -0.097 0.000 0.876 87 Q CB -0.335 28.375 28.738 -0.046 0.000 0.935 87 Q HN 0.558 nan 8.270 nan 0.000 0.455 88 S N -1.269 114.302 115.700 -0.215 0.000 2.528 88 S HA -0.014 4.456 4.470 -0.000 0.000 0.219 88 S C 0.289 174.883 174.600 -0.011 0.000 0.985 88 S CA -0.247 57.896 58.200 -0.096 0.000 0.914 88 S CB -0.150 63.012 63.200 -0.063 0.000 0.776 88 S HN 0.334 nan 8.310 nan 0.000 0.526 89 H N 0.498 119.448 119.070 -0.201 0.000 2.652 89 H HA 0.298 4.853 4.556 -0.000 0.000 0.349 89 H C 0.929 176.333 175.328 0.127 0.000 1.099 89 H CA -0.195 55.772 56.048 -0.135 0.000 1.417 89 H CB 1.108 30.806 29.762 -0.108 0.000 1.457 89 H HN 0.136 nan 8.280 nan 0.000 0.568 90 I N 2.414 123.284 120.570 0.500 0.000 2.916 90 I HA -0.219 3.951 4.170 -0.000 0.000 0.267 90 I C 1.466 177.781 176.117 0.331 0.000 1.263 90 I CA 0.764 62.260 61.300 0.326 0.000 1.471 90 I CB 0.030 38.204 38.000 0.290 0.000 1.089 90 I HN 0.675 nan 8.210 nan 0.000 0.468 91 T N 1.191 115.962 114.554 0.363 0.000 2.759 91 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 91 T C 1.803 176.623 174.700 0.201 0.000 1.042 91 T CA 1.417 63.706 62.100 0.316 0.000 1.140 91 T CB -0.265 68.794 68.868 0.319 0.000 0.864 91 T HN 0.361 nan 8.240 nan 0.000 0.455 92 L N 0.665 121.972 121.223 0.139 0.000 2.109 92 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 92 L C 2.299 179.165 176.870 -0.007 0.000 1.086 92 L CA 1.275 56.137 54.840 0.036 0.000 0.760 92 L CB -0.695 41.351 42.059 -0.023 0.000 0.910 92 L HN 0.204 nan 8.230 nan 0.000 0.437 93 D N -0.611 119.785 120.400 -0.007 0.000 2.117 93 D HA -0.207 4.433 4.640 -0.000 0.000 0.197 93 D C 1.959 178.164 176.300 -0.160 0.000 0.987 93 D CA 1.362 55.300 54.000 -0.103 0.000 0.829 93 D CB -0.204 40.504 40.800 -0.154 0.000 0.961 93 D HN 0.232 nan 8.370 nan 0.000 0.460 94 Y N 0.253 120.527 120.300 -0.044 0.000 2.314 94 Y HA -0.110 4.440 4.550 -0.000 0.000 0.293 94 Y C 2.388 178.139 175.900 -0.247 0.000 1.129 94 Y CA 0.265 58.273 58.100 -0.154 0.000 1.201 94 Y CB -0.454 37.925 38.460 -0.135 0.000 0.999 94 Y HN 0.081 nan 8.280 nan 0.000 0.541 95 C N -0.473 118.808 119.300 -0.032 0.000 2.429 95 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 95 C C 2.878 177.810 174.990 -0.097 0.000 1.262 95 C CA 1.198 60.161 59.018 -0.091 0.000 1.733 95 C CB -0.955 26.756 27.740 -0.049 0.000 2.010 95 C HN 0.494 nan 8.230 nan 0.000 0.483 96 R N 1.010 121.458 120.500 -0.085 0.000 2.066 96 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 96 R C 2.154 178.406 176.300 -0.081 0.000 1.131 96 R CA 1.981 58.032 56.100 -0.082 0.000 0.955 96 R CB -0.366 29.885 30.300 -0.081 0.000 0.851 96 R HN 0.488 nan 8.270 nan 0.000 0.432 97 E N 0.687 120.831 120.200 -0.094 0.000 2.110 97 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 97 E C 1.703 178.260 176.600 -0.072 0.000 0.988 97 E CA 1.305 57.668 56.400 -0.062 0.000 0.804 97 E CB -0.129 29.540 29.700 -0.051 0.000 0.745 97 E HN 0.450 nan 8.360 nan 0.000 0.458 98 L N -1.093 120.034 121.223 -0.161 0.000 2.567 98 L HA 0.273 4.613 4.340 -0.000 0.000 0.225 98 L C 1.258 178.049 176.870 -0.132 0.000 1.119 98 L CA 0.274 54.986 54.840 -0.213 0.000 0.871 98 L CB -0.017 41.787 42.059 -0.426 0.000 1.036 98 L HN 0.379 nan 8.230 nan 0.000 0.459 99 G N 0.878 109.620 108.800 -0.097 0.000 2.198 99 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.257 99 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.257 99 G C -0.029 174.830 174.900 -0.070 0.000 1.042 99 G CA 0.038 45.098 45.100 -0.067 0.000 0.791 99 G HN 0.114 nan 8.290 nan 0.000 0.502 100 V N 0.770 120.631 119.914 -0.089 0.000 2.333 100 V HA 0.344 4.464 4.120 -0.000 0.000 0.274 100 V C 0.825 176.892 176.094 -0.046 0.000 1.028 100 V CA -0.630 61.624 62.300 -0.077 0.000 0.851 100 V CB 1.570 33.324 31.823 -0.115 0.000 1.000 100 V HN 0.507 nan 8.190 nan 0.000 0.456 101 E N 5.152 125.337 120.200 -0.026 0.000 2.384 101 E HA 0.287 4.637 4.350 -0.000 0.000 0.266 101 E C -0.387 176.226 176.600 0.023 0.000 1.012 101 E CA -0.252 56.145 56.400 -0.003 0.000 0.901 101 E CB 0.787 30.489 29.700 0.005 0.000 0.967 101 E HN 0.747 nan 8.360 nan 0.000 0.435 102 I N 0.631 121.225 120.570 0.040 0.000 2.910 102 I HA 0.496 4.666 4.170 -0.000 0.000 0.310 102 I C -0.786 175.426 176.117 0.158 0.000 1.043 102 I CA -0.937 60.423 61.300 0.100 0.000 1.053 102 I CB 1.856 39.915 38.000 0.098 0.000 1.242 102 I HN 0.558 nan 8.210 nan 0.000 0.452 103 Q N 2.334 122.273 119.800 0.232 0.000 2.501 103 Q HA 0.638 4.978 4.340 -0.000 0.000 0.288 103 Q C -0.540 175.619 176.000 0.265 0.000 1.051 103 Q CA -1.136 54.815 55.803 0.247 0.000 0.788 103 Q CB 1.507 30.351 28.738 0.177 0.000 1.469 103 Q HN 0.920 nan 8.270 nan 0.000 0.416 104 G N 0.550 109.443 108.800 0.155 0.000 2.380 104 G HA2 0.298 4.258 3.960 -0.000 0.000 0.242 104 G HA3 0.298 4.258 3.960 -0.000 0.000 0.242 104 G C -1.460 173.386 174.900 -0.091 0.000 1.298 104 G CA -0.251 44.761 45.100 -0.147 0.000 0.878 104 G HN 0.473 nan 8.290 nan 0.000 0.542 105 F N 2.360 122.100 119.950 -0.350 0.000 2.427 105 F HA 0.575 5.101 4.527 -0.000 0.000 0.346 105 F C 0.698 176.437 175.800 -0.102 0.000 1.120 105 F CA -0.933 56.919 58.000 -0.247 0.000 1.033 105 F CB 1.660 40.490 39.000 -0.284 0.000 1.126 105 F HN 0.547 nan 8.300 nan 0.000 0.462 106 G N 4.204 112.694 108.800 -0.516 0.000 2.519 106 G HA2 0.033 3.993 3.960 -0.000 0.000 0.306 106 G HA3 0.033 3.993 3.960 -0.000 0.000 0.306 106 G C 0.130 174.917 174.900 -0.188 0.000 0.965 106 G CA -0.350 44.609 45.100 -0.235 0.000 1.291 106 G HN 0.732 nan 8.290 nan 0.000 0.450 107 N N 0.777 119.550 118.700 0.122 0.000 2.236 107 N HA 0.056 4.796 4.740 -0.000 0.000 0.196 107 N C 0.346 175.981 175.510 0.207 0.000 1.114 107 N CA 0.095 53.341 53.050 0.327 0.000 0.859 107 N CB 0.410 39.171 38.487 0.455 0.000 0.982 107 N HN 0.628 nan 8.380 nan 0.000 0.493 108 Q N 0.138 119.984 119.800 0.078 0.000 2.309 108 Q HA 0.375 4.715 4.340 -0.000 0.000 0.273 108 Q C -2.068 173.909 176.000 -0.037 0.000 1.040 108 Q CA -0.724 55.070 55.803 -0.015 0.000 0.834 108 Q CB 1.232 29.963 28.738 -0.012 0.000 1.345 108 Q HN 0.009 nan 8.270 nan 0.000 0.414 109 N N 1.606 120.255 118.700 -0.086 0.000 2.503 109 N HA 0.340 5.080 4.740 -0.000 0.000 0.287 109 N C -0.387 175.144 175.510 0.035 0.000 1.096 109 N CA 0.332 53.381 53.050 -0.002 0.000 0.936 109 N CB 1.994 40.517 38.487 0.061 0.000 1.570 109 N HN 0.673 nan 8.380 nan 0.000 0.504 110 A N 3.192 126.050 122.820 0.063 0.000 2.070 110 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 110 A C 1.323 179.038 177.584 0.219 0.000 1.159 110 A CA 1.352 53.468 52.037 0.132 0.000 0.656 110 A CB -0.323 18.730 19.000 0.087 0.000 0.800 110 A HN 0.839 nan 8.150 nan 0.000 0.453 111 N N -0.878 117.937 118.700 0.193 0.000 2.325 111 N HA 0.008 4.748 4.740 -0.000 0.000 0.182 111 N C 0.312 175.964 175.510 0.236 0.000 1.088 111 N CA 0.480 53.658 53.050 0.212 0.000 0.879 111 N CB 0.265 38.835 38.487 0.139 0.000 0.983 111 N HN 0.604 nan 8.380 nan 0.000 0.471 112 T N -1.048 113.665 114.554 0.265 0.000 2.788 112 T HA 0.284 4.634 4.350 -0.000 0.000 0.287 112 T C -0.137 174.844 174.700 0.468 0.000 1.007 112 T CA -0.299 61.950 62.100 0.248 0.000 1.005 112 T CB 0.649 69.728 68.868 0.352 0.000 1.012 112 T HN -0.186 nan 8.240 nan 0.000 0.530 113 F N 0.289 120.353 119.950 0.189 0.000 2.470 113 F HA 0.609 5.136 4.527 -0.000 0.000 0.329 113 F C 0.389 176.036 175.800 -0.255 0.000 1.072 113 F CA -1.974 55.988 58.000 -0.065 0.000 0.989 113 F CB 1.397 40.303 39.000 -0.156 0.000 1.193 113 F HN 0.648 nan 8.300 nan 0.000 0.481 114 V N 0.345 120.107 119.914 -0.254 0.000 2.667 114 V HA 0.694 4.814 4.120 -0.000 0.000 0.308 114 V C -0.829 174.920 176.094 -0.576 0.000 1.048 114 V CA -0.548 61.435 62.300 -0.527 0.000 0.928 114 V CB 1.898 33.368 31.823 -0.588 0.000 1.004 114 V HN 0.829 nan 8.190 nan 0.000 0.444 115 N N 2.259 120.419 118.700 -0.901 0.000 2.655 115 N HA 0.399 5.139 4.740 -0.000 0.000 0.277 115 N C -2.236 172.912 175.510 -0.603 0.000 1.177 115 N CA -0.164 52.537 53.050 -0.581 0.000 0.882 115 N CB 1.600 39.917 38.487 -0.282 0.000 1.481 115 N HN 0.798 nan 8.380 nan 0.000 0.547 116 Y N 0.104 120.353 120.300 -0.085 0.000 2.576 116 Y HA 0.435 4.985 4.550 -0.000 0.000 0.346 116 Y C 0.353 176.207 175.900 -0.078 0.000 1.018 116 Y CA -0.836 57.218 58.100 -0.078 0.000 1.050 116 Y CB 1.078 39.481 38.460 -0.094 0.000 1.280 116 Y HN 0.216 nan 8.280 nan 0.000 0.474 117 Q N 1.584 121.449 119.800 0.109 0.000 2.293 117 Q HA 0.628 4.968 4.340 -0.000 0.000 0.251 117 Q C -0.386 175.623 176.000 0.014 0.000 0.930 117 Q CA -0.285 55.537 55.803 0.032 0.000 0.893 117 Q CB 1.804 30.552 28.738 0.015 0.000 1.215 117 Q HN 0.891 nan 8.270 nan 0.000 0.425 118 S N -0.672 115.020 115.700 -0.013 0.000 2.661 118 S HA 0.186 4.656 4.470 -0.000 0.000 0.268 118 S C -0.785 173.795 174.600 -0.034 0.000 1.162 118 S CA -0.893 57.288 58.200 -0.031 0.000 0.817 118 S CB 1.018 64.190 63.200 -0.046 0.000 1.141 118 S HN 0.427 nan 8.310 nan 0.000 0.477 119 D N 1.474 121.851 120.400 -0.038 0.000 3.060 119 D HA 0.365 5.005 4.640 -0.000 0.000 0.245 119 D C 0.299 176.576 176.300 -0.038 0.000 1.274 119 D CA 0.308 54.287 54.000 -0.034 0.000 0.864 119 D CB -0.485 40.296 40.800 -0.031 0.000 1.073 119 D HN 0.765 nan 8.370 nan 0.000 0.473 120 T N -4.341 110.186 114.554 -0.045 0.000 2.838 120 T HA 0.322 4.671 4.350 -0.000 0.000 0.292 120 T C 1.204 175.877 174.700 -0.046 0.000 1.113 120 T CA -0.212 61.857 62.100 -0.052 0.000 1.008 120 T CB 1.158 69.978 68.868 -0.081 0.000 1.259 120 T HN -0.113 nan 8.240 nan 0.000 0.520 121 S N -0.001 115.677 115.700 -0.037 0.000 2.555 121 S HA 0.002 4.472 4.470 -0.000 0.000 0.230 121 S C 1.547 176.127 174.600 -0.034 0.000 0.978 121 S CA 0.234 58.422 58.200 -0.020 0.000 0.934 121 S CB -0.769 62.438 63.200 0.011 0.000 0.766 121 S HN 0.516 nan 8.310 nan 0.000 0.533 122 L N 1.880 123.049 121.223 -0.090 0.000 2.552 122 L HA 0.265 4.605 4.340 -0.000 0.000 0.227 122 L C 1.404 178.215 176.870 -0.099 0.000 1.146 122 L CA 0.336 55.091 54.840 -0.141 0.000 0.858 122 L CB -0.895 40.975 42.059 -0.316 0.000 0.969 122 L HN 0.264 nan 8.230 nan 0.000 0.451 123 S N 0.511 116.171 115.700 -0.067 0.000 2.670 123 S HA 0.263 4.733 4.470 -0.000 0.000 0.308 123 S C 1.469 176.041 174.600 -0.046 0.000 1.232 123 S CA 0.633 58.806 58.200 -0.045 0.000 1.126 123 S CB -0.442 62.738 63.200 -0.033 0.000 0.897 123 S HN 0.727 nan 8.310 nan 0.000 0.508 124 G N 3.324 112.093 108.800 -0.051 0.000 2.162 124 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.260 124 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.260 124 G C -0.029 174.818 174.900 -0.088 0.000 0.976 124 G CA 0.572 45.635 45.100 -0.063 0.000 0.655 124 G HN 0.840 nan 8.290 nan 0.000 0.533 125 Q N 0.743 120.482 119.800 -0.102 0.000 2.256 125 Q HA 0.598 4.938 4.340 -0.000 0.000 0.254 125 Q C -0.016 175.877 176.000 -0.178 0.000 0.916 125 Q CA -0.342 55.394 55.803 -0.112 0.000 0.932 125 Q CB 0.715 29.414 28.738 -0.065 0.000 1.207 125 Q HN 0.203 nan 8.270 nan 0.000 0.426 126 S N 2.320 117.876 115.700 -0.241 0.000 2.528 126 S HA 0.351 4.821 4.470 -0.000 0.000 0.277 126 S C -0.730 173.617 174.600 -0.422 0.000 1.297 126 S CA -0.552 57.411 58.200 -0.395 0.000 1.052 126 S CB 0.946 63.777 63.200 -0.615 0.000 0.917 126 S HN 0.465 nan 8.310 nan 0.000 0.492 127 V N 3.259 122.970 119.914 -0.339 0.000 2.709 127 V HA 0.424 4.544 4.120 -0.000 0.000 0.308 127 V C 0.498 176.517 176.094 -0.126 0.000 1.062 127 V CA -1.113 61.081 62.300 -0.176 0.000 0.901 127 V CB 2.087 33.915 31.823 0.008 0.000 1.003 127 V HN 0.985 nan 8.190 nan 0.000 0.425 128 T N 0.741 115.283 114.554 -0.019 0.000 2.903 128 T HA 0.140 4.490 4.350 -0.000 0.000 0.314 128 T C 0.935 175.733 174.700 0.164 0.000 1.078 128 T CA 0.284 62.502 62.100 0.196 0.000 1.114 128 T CB 0.329 69.334 68.868 0.227 0.000 0.987 128 T HN 0.484 nan 8.240 nan 0.000 0.548 129 Y N 1.757 122.174 120.300 0.194 0.000 2.151 129 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 129 Y C 2.954 178.879 175.900 0.042 0.000 1.166 129 Y CA 2.130 60.314 58.100 0.139 0.000 1.163 129 Y CB -0.257 38.272 38.460 0.116 0.000 0.974 129 Y HN 0.727 nan 8.280 nan 0.000 0.511 130 R N 0.062 120.688 120.500 0.210 0.000 2.092 130 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 130 R C 2.282 178.618 176.300 0.061 0.000 1.119 130 R CA 1.265 57.423 56.100 0.097 0.000 0.970 130 R CB -0.850 29.502 30.300 0.088 0.000 0.864 130 R HN 0.203 nan 8.270 nan 0.000 0.440 131 A N 1.664 124.536 122.820 0.087 0.000 1.873 131 A HA 0.080 4.400 4.320 -0.000 0.000 0.215 131 A C 2.552 180.213 177.584 0.127 0.000 1.186 131 A CA 1.356 53.442 52.037 0.082 0.000 0.616 131 A CB -0.741 18.304 19.000 0.076 0.000 0.823 131 A HN 0.515 nan 8.150 nan 0.000 0.442 132 A N -0.048 122.869 122.820 0.161 0.000 1.877 132 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 132 A C 2.121 179.810 177.584 0.175 0.000 1.186 132 A CA 1.878 54.051 52.037 0.227 0.000 0.620 132 A CB -0.460 18.715 19.000 0.292 0.000 0.822 132 A HN 0.530 nan 8.150 nan 0.000 0.443 133 K N -0.406 119.958 120.400 -0.060 0.000 2.057 133 K HA -0.059 4.260 4.320 -0.000 0.000 0.207 133 K C 2.296 178.656 176.600 -0.401 0.000 1.049 133 K CA 1.132 57.087 56.287 -0.552 0.000 0.931 133 K CB -0.319 31.862 32.500 -0.532 0.000 0.714 133 K HN 0.444 nan 8.250 nan 0.000 0.440 134 A N 1.720 124.443 122.820 -0.161 0.000 1.933 134 A HA -0.192 4.127 4.320 -0.000 0.000 0.218 134 A C 1.536 178.916 177.584 -0.341 0.000 1.175 134 A CA 1.866 53.814 52.037 -0.148 0.000 0.628 134 A CB -0.324 18.669 19.000 -0.011 0.000 0.814 134 A HN 0.169 nan 8.150 nan 0.000 0.444 135 D N -0.749 119.546 120.400 -0.174 0.000 2.103 135 D HA -0.055 4.585 4.640 -0.000 0.000 0.199 135 D C 2.070 178.227 176.300 -0.239 0.000 0.978 135 D CA 1.784 55.662 54.000 -0.204 0.000 0.829 135 D CB -0.661 40.280 40.800 0.235 0.000 0.981 135 D HN 0.366 nan 8.370 nan 0.000 0.464 136 T N 0.583 115.067 114.554 -0.117 0.000 2.708 136 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 136 T C 1.634 176.320 174.700 -0.023 0.000 1.037 136 T CA 0.877 62.948 62.100 -0.049 0.000 1.146 136 T CB -0.336 68.510 68.868 -0.036 0.000 0.865 136 T HN 0.054 nan 8.240 nan 0.000 0.435 137 F N 1.403 121.329 119.950 -0.039 0.000 2.367 137 F HA 0.247 4.774 4.527 -0.000 0.000 0.298 137 F C 2.558 178.210 175.800 -0.248 0.000 1.094 137 F CA -0.122 57.835 58.000 -0.071 0.000 1.409 137 F CB -1.436 37.398 39.000 -0.277 0.000 1.064 137 F HN 0.199 nan 8.300 nan 0.000 0.528 138 G N -0.562 107.948 108.800 -0.483 0.000 2.459 138 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 138 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 138 G C 1.465 176.075 174.900 -0.483 0.000 1.183 138 G CA 0.846 45.379 45.100 -0.945 0.000 0.776 138 G HN 0.277 nan 8.290 nan 0.000 0.552 139 Y N -0.126 120.037 120.300 -0.228 0.000 2.314 139 Y HA 0.100 4.650 4.550 -0.000 0.000 0.293 139 Y C 2.811 178.755 175.900 0.075 0.000 1.129 139 Y CA 0.950 59.061 58.100 0.018 0.000 1.201 139 Y CB -0.466 38.026 38.460 0.052 0.000 0.999 139 Y HN 0.180 nan 8.280 nan 0.000 0.541 140 M N -0.803 118.940 119.600 0.238 0.000 2.086 140 M HA -0.247 4.233 4.480 -0.000 0.000 0.261 140 M C 2.137 178.569 176.300 0.220 0.000 1.067 140 M CA 2.057 57.506 55.300 0.248 0.000 1.116 140 M CB -0.133 32.671 32.600 0.340 0.000 1.348 140 M HN 0.118 nan 8.290 nan 0.000 0.407 141 S N 0.290 116.116 115.700 0.211 0.000 2.368 141 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 141 S C 1.689 176.378 174.600 0.147 0.000 1.030 141 S CA 1.680 59.989 58.200 0.182 0.000 0.999 141 S CB -0.466 62.829 63.200 0.159 0.000 0.844 141 S HN 0.603 nan 8.310 nan 0.000 0.459 142 E N 1.112 121.403 120.200 0.151 0.000 2.085 142 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 142 E C 1.973 178.663 176.600 0.151 0.000 0.994 142 E CA 1.037 57.534 56.400 0.162 0.000 0.801 142 E CB -0.186 29.648 29.700 0.225 0.000 0.743 142 E HN 0.434 nan 8.360 nan 0.000 0.453 143 L N 0.322 121.642 121.223 0.163 0.000 2.056 143 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 143 L C 2.675 179.610 176.870 0.109 0.000 1.078 143 L CA 0.500 55.418 54.840 0.131 0.000 0.749 143 L CB -0.356 41.781 42.059 0.130 0.000 0.901 143 L HN 0.269 nan 8.230 nan 0.000 0.433 144 L N 0.111 121.405 121.223 0.118 0.000 2.156 144 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 144 L C 2.465 179.390 176.870 0.093 0.000 1.095 144 L CA 1.698 56.600 54.840 0.102 0.000 0.770 144 L CB -0.604 41.524 42.059 0.115 0.000 0.914 144 L HN 0.118 nan 8.230 nan 0.000 0.439 145 K N -0.344 120.116 120.400 0.101 0.000 2.097 145 K HA -0.248 4.072 4.320 -0.000 0.000 0.205 145 K C 2.271 178.915 176.600 0.074 0.000 1.050 145 K CA 1.581 57.920 56.287 0.087 0.000 0.938 145 K CB -0.076 32.477 32.500 0.089 0.000 0.718 145 K HN 0.322 nan 8.250 nan 0.000 0.442 146 K N 0.234 120.681 120.400 0.079 0.000 2.026 146 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 146 K C 1.955 178.589 176.600 0.056 0.000 1.048 146 K CA 1.377 57.704 56.287 0.067 0.000 0.929 146 K CB -0.224 32.320 32.500 0.073 0.000 0.713 146 K HN 0.184 nan 8.250 nan 0.000 0.439 147 A N 0.582 123.437 122.820 0.058 0.000 1.902 147 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 147 A C 2.189 179.799 177.584 0.043 0.000 1.181 147 A CA 2.179 54.245 52.037 0.048 0.000 0.623 147 A CB -1.039 17.990 19.000 0.049 0.000 0.818 147 A HN 0.485 nan 8.150 nan 0.000 0.443 148 T N 0.208 114.791 114.554 0.048 0.000 2.708 148 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 148 T C 1.472 176.194 174.700 0.038 0.000 1.037 148 T CA 1.526 63.652 62.100 0.043 0.000 1.146 148 T CB -0.392 68.505 68.868 0.050 0.000 0.865 148 T HN 0.453 nan 8.240 nan 0.000 0.435 149 D N 1.224 121.649 120.400 0.041 0.000 2.178 149 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 149 D C 2.250 178.568 176.300 0.031 0.000 0.974 149 D CA 0.835 54.857 54.000 0.036 0.000 0.841 149 D CB -0.262 40.562 40.800 0.039 0.000 0.953 149 D HN 0.449 nan 8.370 nan 0.000 0.478 150 Q N -0.586 119.234 119.800 0.032 0.000 2.364 150 Q HA 0.065 4.405 4.340 -0.000 0.000 0.207 150 Q C 1.120 177.135 176.000 0.024 0.000 0.970 150 Q CA 0.878 56.698 55.803 0.028 0.000 0.888 150 Q CB 0.283 29.038 28.738 0.029 0.000 0.951 150 Q HN 0.352 nan 8.270 nan 0.000 0.469 151 G N -0.461 108.353 108.800 0.024 0.000 2.141 151 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.231 151 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.231 151 G C 0.713 175.625 174.900 0.019 0.000 0.984 151 G CA 0.243 45.355 45.100 0.020 0.000 0.660 151 G HN 0.434 nan 8.290 nan 0.000 0.525 152 A N -0.534 122.299 122.820 0.022 0.000 2.067 152 A HA 0.425 4.745 4.320 -0.000 0.000 0.219 152 A C 1.920 179.516 177.584 0.019 0.000 1.158 152 A CA 1.588 53.638 52.037 0.021 0.000 0.661 152 A CB -0.130 18.885 19.000 0.025 0.000 0.801 152 A HN 0.931 nan 8.150 nan 0.000 0.452 153 L N -0.765 120.469 121.223 0.020 0.000 2.965 153 L HA 0.176 4.515 4.340 -0.000 0.000 0.254 153 L C 0.397 177.275 176.870 0.012 0.000 1.220 153 L CA -0.258 54.591 54.840 0.016 0.000 1.023 153 L CB 0.258 42.328 42.059 0.018 0.000 1.355 153 L HN 0.059 nan 8.230 nan 0.000 0.545 154 D N 0.370 120.777 120.400 0.013 0.000 2.264 154 D HA -0.144 4.495 4.640 -0.000 0.000 0.208 154 D C 2.003 178.307 176.300 0.007 0.000 0.966 154 D CA 1.062 55.068 54.000 0.010 0.000 0.864 154 D CB 0.245 41.051 40.800 0.011 0.000 0.933 154 D HN 0.381 nan 8.370 nan 0.000 0.499 155 Q N -0.266 119.538 119.800 0.006 0.000 2.311 155 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 155 Q C 1.755 177.756 176.000 0.002 0.000 0.954 155 Q CA 0.751 56.556 55.803 0.004 0.000 0.885 155 Q CB 0.697 29.438 28.738 0.004 0.000 0.963 155 Q HN 0.342 nan 8.270 nan 0.000 0.471 156 V N -3.773 116.141 119.914 0.002 0.000 3.556 156 V HA 0.338 4.458 4.120 -0.000 0.000 0.287 156 V C 0.341 176.432 176.094 -0.004 0.000 1.422 156 V CA -0.097 62.202 62.300 -0.002 0.000 1.038 156 V CB 0.287 32.108 31.823 -0.003 0.000 0.850 156 V HN -0.016 nan 8.190 nan 0.000 0.437 157 L N 2.139 123.362 121.223 -0.000 0.000 2.410 157 L HA 0.666 5.006 4.340 -0.000 0.000 0.270 157 L C 0.364 177.235 176.870 0.002 0.000 0.983 157 L CA -0.362 54.478 54.840 -0.001 0.000 0.822 157 L CB 2.377 44.438 42.059 0.004 0.000 1.285 157 L HN 0.325 nan 8.230 nan 0.000 0.409 158 S N 2.190 117.890 115.700 -0.000 0.000 2.634 158 S HA 0.241 4.711 4.470 -0.000 0.000 0.261 158 S C 1.089 175.693 174.600 0.006 0.000 1.271 158 S CA -0.347 57.854 58.200 0.002 0.000 0.985 158 S CB 1.313 64.513 63.200 -0.000 0.000 0.968 158 S HN 0.772 nan 8.310 nan 0.000 0.568 159 R N 0.515 121.019 120.500 0.007 0.000 2.083 159 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 159 R C 1.873 178.179 176.300 0.011 0.000 1.137 159 R CA 2.146 58.252 56.100 0.010 0.000 0.951 159 R CB -0.556 29.750 30.300 0.009 0.000 0.851 159 R HN 0.817 nan 8.270 nan 0.000 0.434 160 E N 0.424 120.629 120.200 0.008 0.000 2.106 160 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 160 E C 1.645 178.249 176.600 0.007 0.000 0.984 160 E CA 1.485 57.890 56.400 0.007 0.000 0.806 160 E CB -0.102 29.600 29.700 0.003 0.000 0.750 160 E HN 0.403 nan 8.360 nan 0.000 0.458 161 D N 0.726 121.127 120.400 0.003 0.000 2.084 161 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 161 D C 1.671 177.977 176.300 0.010 0.000 0.990 161 D CA 1.137 55.136 54.000 -0.001 0.000 0.826 161 D CB -0.197 40.599 40.800 -0.006 0.000 0.971 161 D HN 0.131 nan 8.370 nan 0.000 0.453 162 K N 0.426 120.834 120.400 0.015 0.000 2.063 162 K HA -0.136 4.184 4.320 -0.000 0.000 0.208 162 K C 1.663 178.283 176.600 0.034 0.000 1.048 162 K CA 1.259 57.561 56.287 0.025 0.000 0.928 162 K CB 0.021 32.535 32.500 0.024 0.000 0.713 162 K HN 0.093 nan 8.250 nan 0.000 0.442 163 D N 0.493 120.910 120.400 0.029 0.000 2.117 163 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 163 D C 1.879 178.206 176.300 0.044 0.000 0.982 163 D CA 1.318 55.339 54.000 0.035 0.000 0.828 163 D CB -0.240 40.576 40.800 0.027 0.000 0.967 163 D HN 0.208 nan 8.370 nan 0.000 0.464 164 A N 0.872 123.714 122.820 0.037 0.000 1.902 164 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 164 A C 2.155 179.785 177.584 0.076 0.000 1.181 164 A CA 1.005 53.068 52.037 0.045 0.000 0.623 164 A CB -0.736 18.274 19.000 0.017 0.000 0.818 164 A HN 0.235 nan 8.150 nan 0.000 0.443 165 L N -0.023 121.239 121.223 0.064 0.000 2.083 165 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 165 L C 2.473 179.437 176.870 0.156 0.000 1.083 165 L CA 2.521 57.421 54.840 0.101 0.000 0.752 165 L CB -0.678 41.416 42.059 0.059 0.000 0.899 165 L HN 0.286 nan 8.230 nan 0.000 0.433 166 S N -0.626 115.138 115.700 0.106 0.000 2.368 166 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 166 S C 1.861 176.520 174.600 0.097 0.000 1.030 166 S CA 1.405 59.662 58.200 0.095 0.000 0.999 166 S CB -0.314 62.926 63.200 0.067 0.000 0.844 166 S HN 0.604 nan 8.310 nan 0.000 0.459 167 E N 0.188 120.448 120.200 0.099 0.000 2.058 167 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 167 E C 1.869 178.537 176.600 0.113 0.000 0.997 167 E CA 1.192 57.647 56.400 0.091 0.000 0.801 167 E CB -0.216 29.536 29.700 0.088 0.000 0.746 167 E HN 0.506 nan 8.360 nan 0.000 0.450 168 F N 1.308 121.277 119.950 0.030 0.000 2.069 168 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 168 F C 1.925 177.776 175.800 0.086 0.000 1.113 168 F CA 1.507 59.528 58.000 0.036 0.000 1.214 168 F CB -0.333 38.657 39.000 -0.016 0.000 0.978 168 F HN 0.002 nan 8.300 nan 0.000 0.474 169 L N -0.570 120.653 121.223 -0.001 0.000 2.083 169 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 169 L C 2.531 179.376 176.870 -0.043 0.000 1.083 169 L CA 1.380 56.197 54.840 -0.039 0.000 0.752 169 L CB -0.944 41.183 42.059 0.114 0.000 0.899 169 L HN 0.113 nan 8.230 nan 0.000 0.433 170 S N -0.492 115.200 115.700 -0.013 0.000 2.368 170 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 170 S C 1.595 176.174 174.600 -0.035 0.000 1.029 170 S CA 1.561 59.760 58.200 -0.001 0.000 0.988 170 S CB -0.229 62.982 63.200 0.018 0.000 0.838 170 S HN 0.501 nan 8.310 nan 0.000 0.462 171 D N 0.729 121.085 120.400 -0.073 0.000 2.084 171 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 171 D C 1.714 177.934 176.300 -0.133 0.000 0.985 171 D CA 0.966 54.916 54.000 -0.083 0.000 0.826 171 D CB -0.391 40.371 40.800 -0.063 0.000 0.978 171 D HN 0.280 nan 8.370 nan 0.000 0.456 172 F N 0.590 120.263 119.950 -0.461 0.000 2.161 172 F HA 0.045 4.572 4.527 -0.000 0.000 0.300 172 F C 2.142 177.805 175.800 -0.227 0.000 1.089 172 F CA 1.994 59.707 58.000 -0.478 0.000 1.282 172 F CB -0.303 38.118 39.000 -0.964 0.000 1.010 172 F HN 0.083 nan 8.300 nan 0.000 0.485 173 G N -1.423 107.290 108.800 -0.146 0.000 2.939 173 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.210 173 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.210 173 G C -0.048 174.814 174.900 -0.063 0.000 1.160 173 G CA 0.555 45.577 45.100 -0.130 0.000 0.770 173 G HN 0.311 nan 8.290 nan 0.000 0.543 174 D N -0.341 120.033 120.400 -0.043 0.000 2.697 174 D HA -0.154 4.485 4.640 -0.000 0.000 0.238 174 D C 0.426 176.772 176.300 0.076 0.000 1.152 174 D CA 0.308 54.318 54.000 0.017 0.000 0.666 174 D CB -1.448 39.371 40.800 0.031 0.000 1.037 174 D HN 0.283 nan 8.370 nan 0.000 0.423 175 L N 0.263 121.522 121.223 0.059 0.000 2.418 175 L HA 0.298 4.638 4.340 -0.000 0.000 0.265 175 L C 1.652 178.544 176.870 0.036 0.000 1.143 175 L CA -0.455 54.431 54.840 0.075 0.000 0.809 175 L CB 0.955 43.056 42.059 0.070 0.000 1.124 175 L HN 0.249 nan 8.230 nan 0.000 0.456 176 S N -0.314 115.401 115.700 0.025 0.000 2.606 176 S HA -0.001 4.469 4.470 -0.000 0.000 0.257 176 S C 0.623 175.231 174.600 0.014 0.000 1.327 176 S CA -0.515 57.688 58.200 0.005 0.000 0.984 176 S CB 0.650 63.847 63.200 -0.005 0.000 0.941 176 S HN 0.610 nan 8.310 nan 0.000 0.576 177 D N 1.020 121.424 120.400 0.008 0.000 2.218 177 D HA -0.074 4.566 4.640 -0.000 0.000 0.204 177 D C 1.098 177.409 176.300 0.018 0.000 0.976 177 D CA 1.562 55.569 54.000 0.012 0.000 0.853 177 D CB -0.435 40.369 40.800 0.006 0.000 0.939 177 D HN 0.857 nan 8.370 nan 0.000 0.481 178 D N -1.254 119.157 120.400 0.019 0.000 2.342 178 D HA 0.184 4.824 4.640 -0.000 0.000 0.221 178 D C 1.208 177.530 176.300 0.037 0.000 1.101 178 D CA 0.300 54.316 54.000 0.025 0.000 0.837 178 D CB -0.163 40.650 40.800 0.021 0.000 0.938 178 D HN 0.133 nan 8.370 nan 0.000 0.508 179 G N 0.448 109.274 108.800 0.043 0.000 2.142 179 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.225 179 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.225 179 G C -0.072 174.876 174.900 0.080 0.000 1.015 179 G CA -0.354 44.781 45.100 0.059 0.000 0.716 179 G HN 0.441 nan 8.290 nan 0.000 0.508 180 R N -1.023 119.522 120.500 0.075 0.000 2.711 180 R HA 0.510 4.849 4.340 -0.000 0.000 0.284 180 R C -0.816 175.551 176.300 0.112 0.000 0.968 180 R CA -1.021 55.140 56.100 0.102 0.000 0.924 180 R CB 1.531 31.874 30.300 0.072 0.000 1.162 180 R HN 0.184 nan 8.270 nan 0.000 0.465 181 Y N 3.341 123.641 120.300 0.001 0.000 2.452 181 Y HA 0.197 4.746 4.550 -0.000 0.000 0.348 181 Y C 0.040 175.887 175.900 -0.088 0.000 0.985 181 Y CA -0.352 57.680 58.100 -0.113 0.000 1.214 181 Y CB 0.395 38.659 38.460 -0.325 0.000 1.136 181 Y HN 0.525 nan 8.280 nan 0.000 0.523 182 L N 6.085 126.938 121.223 -0.618 0.000 2.959 182 L HA 0.474 4.814 4.340 -0.000 0.000 0.259 182 L C 0.778 177.253 176.870 -0.660 0.000 1.185 182 L CA 0.189 54.733 54.840 -0.493 0.000 0.998 182 L CB -0.294 41.626 42.059 -0.231 0.000 1.337 182 L HN 0.949 nan 8.230 nan 0.000 0.555 183 G N 0.116 108.157 108.800 -1.265 0.000 2.541 183 G HA2 0.010 3.970 3.960 -0.000 0.000 0.686 183 G HA3 0.010 3.970 3.960 -0.000 0.000 0.686 183 G C -0.877 173.813 174.900 -0.350 0.000 1.286 183 G CA -0.179 44.485 45.100 -0.726 0.000 0.894 183 G HN 0.116 nan 8.290 nan 0.000 0.575 184 S N -1.796 113.813 115.700 -0.151 0.000 2.543 184 S HA 0.680 5.150 4.470 -0.000 0.000 0.274 184 S C 1.338 175.863 174.600 -0.125 0.000 1.149 184 S CA 0.817 58.978 58.200 -0.066 0.000 0.866 184 S CB 1.088 64.327 63.200 0.064 0.000 1.111 184 S HN 2.391 nan 8.310 nan 0.000 0.457 185 S N 3.241 118.872 115.700 -0.115 0.000 2.440 185 S HA -0.124 4.346 4.470 -0.000 0.000 0.238 185 S C 1.532 176.066 174.600 -0.110 0.000 1.010 185 S CA 0.901 59.001 58.200 -0.167 0.000 0.972 185 S CB -0.482 62.740 63.200 0.036 0.000 0.774 185 S HN 0.758 nan 8.310 nan 0.000 0.501 186 R N 1.154 121.628 120.500 -0.043 0.000 2.200 186 R HA 0.074 4.414 4.340 -0.000 0.000 0.234 186 R C 2.468 178.754 176.300 -0.024 0.000 1.127 186 R CA 1.208 57.300 56.100 -0.014 0.000 0.989 186 R CB -0.296 29.996 30.300 -0.012 0.000 0.869 186 R HN 0.501 nan 8.270 nan 0.000 0.459 187 R N 0.214 120.674 120.500 -0.065 0.000 2.189 187 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 187 R C 0.976 177.231 176.300 -0.075 0.000 1.074 187 R CA 0.609 56.675 56.100 -0.058 0.000 0.991 187 R CB 0.043 30.294 30.300 -0.082 0.000 0.883 187 R HN 0.329 nan 8.270 nan 0.000 0.457 188 G N -0.205 108.508 108.800 -0.145 0.000 2.610 188 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.304 188 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.304 188 G C -1.323 173.391 174.900 -0.310 0.000 1.309 188 G CA -0.832 44.222 45.100 -0.076 0.000 0.906 188 G HN 0.190 nan 8.290 nan 0.000 0.521 189 Y N -0.473 119.836 120.300 0.016 0.000 2.457 189 Y HA 0.514 5.064 4.550 -0.000 0.000 0.343 189 Y C 0.949 176.854 175.900 0.010 0.000 0.994 189 Y CA -0.033 58.073 58.100 0.010 0.000 1.031 189 Y CB 2.324 40.794 38.460 0.017 0.000 1.246 189 Y HN 0.741 nan 8.280 nan 0.000 0.449 190 D N 0.692 121.171 120.400 0.132 0.000 2.123 190 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 190 D C 0.280 176.637 176.300 0.095 0.000 0.976 190 D CA 1.235 55.284 54.000 0.082 0.000 0.831 190 D CB 0.398 41.220 40.800 0.037 0.000 0.974 190 D HN 0.252 nan 8.370 nan 0.000 0.469 191 S N -0.524 115.248 115.700 0.121 0.000 2.478 191 S HA 0.330 4.800 4.470 -0.000 0.000 0.312 191 S C -0.937 173.704 174.600 0.068 0.000 1.094 191 S CA -0.751 57.496 58.200 0.079 0.000 1.081 191 S CB 1.351 64.582 63.200 0.053 0.000 1.007 191 S HN 0.137 nan 8.310 nan 0.000 0.475 192 E N 4.565 124.769 120.200 0.007 0.000 2.376 192 E HA 0.302 4.652 4.350 -0.000 0.000 0.266 192 E C -2.437 174.060 176.600 -0.172 0.000 1.009 192 E CA -1.446 54.898 56.400 -0.093 0.000 0.902 192 E CB 0.466 30.131 29.700 -0.059 0.000 0.972 192 E HN 0.291 nan 8.360 nan 0.000 0.439 193 P HA 0.129 nan 4.420 nan 0.000 0.263 193 P C -0.362 176.845 177.300 -0.154 0.000 1.195 193 P CA 0.161 63.112 63.100 -0.248 0.000 0.762 193 P CB 1.268 32.754 31.700 -0.357 0.000 0.799 194 G N 1.653 110.383 108.800 -0.116 0.000 3.247 194 G HA2 0.692 4.651 3.960 -0.000 0.000 0.163 194 G HA3 0.692 4.651 3.960 -0.000 0.000 0.163 194 G C -0.902 173.941 174.900 -0.095 0.000 1.206 194 G CA -0.281 44.761 45.100 -0.098 0.000 0.918 194 G HN 0.602 nan 8.290 nan 0.000 0.625 195 A N -2.083 120.678 122.820 -0.097 0.000 2.269 195 A HA 0.772 5.092 4.320 -0.000 0.000 0.327 195 A C 1.226 178.728 177.584 -0.137 0.000 1.112 195 A CA 0.846 52.829 52.037 -0.091 0.000 0.865 195 A CB 0.268 19.227 19.000 -0.068 0.000 1.227 195 A HN 2.492 nan 8.150 nan 0.000 0.498 196 G N -0.816 107.915 108.800 -0.116 0.000 2.622 196 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.307 196 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.307 196 G C 0.523 175.242 174.900 -0.302 0.000 1.226 196 G CA 0.740 45.752 45.100 -0.147 0.000 0.997 196 G HN 1.262 nan 8.290 nan 0.000 0.551 197 L N 1.354 122.329 121.223 -0.414 0.000 2.685 197 L HA 0.271 4.611 4.340 -0.000 0.000 0.233 197 L C 0.946 177.206 176.870 -1.017 0.000 1.173 197 L CA 0.062 54.382 54.840 -0.866 0.000 0.961 197 L CB -0.179 41.620 42.059 -0.434 0.000 1.217 197 L HN 0.388 nan 8.230 nan 0.000 0.478 198 N N 0.412 118.738 118.700 -0.623 0.000 2.968 198 N HA 0.072 4.812 4.740 -0.000 0.000 0.271 198 N C 0.661 175.983 175.510 -0.313 0.000 1.174 198 N CA -0.232 52.587 53.050 -0.385 0.000 1.096 198 N CB 0.074 38.436 38.487 -0.208 0.000 1.403 198 N HN 0.004 nan 8.380 nan 0.000 0.522 199 F N 1.069 121.003 119.950 -0.027 0.000 2.502 199 F HA 0.238 4.764 4.527 -0.000 0.000 0.298 199 F C 2.006 177.779 175.800 -0.044 0.000 1.111 199 F CA 0.680 58.663 58.000 -0.029 0.000 1.445 199 F CB -0.770 38.230 39.000 0.001 0.000 1.081 199 F HN 0.444 nan 8.300 nan 0.000 0.558 200 G N 0.173 109.035 108.800 0.104 0.000 2.725 200 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.220 200 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.220 200 G C -0.383 174.642 174.900 0.208 0.000 1.357 200 G CA -0.485 44.666 45.100 0.085 0.000 0.866 200 G HN 0.579 nan 8.290 nan 0.000 0.548 201 T N -2.232 112.491 114.554 0.283 0.000 3.066 201 T HA 0.642 4.992 4.350 -0.000 0.000 0.318 201 T C -0.342 174.487 174.700 0.216 0.000 0.979 201 T CA -0.306 61.925 62.100 0.217 0.000 1.025 201 T CB 1.890 70.826 68.868 0.113 0.000 1.002 201 T HN 0.740 nan 8.240 nan 0.000 0.453 202 E N 2.246 122.482 120.200 0.060 0.000 2.413 202 E HA 0.103 4.453 4.350 -0.000 0.000 0.263 202 E C -0.005 176.484 176.600 -0.184 0.000 1.015 202 E CA -0.167 56.065 56.400 -0.280 0.000 0.916 202 E CB 0.713 30.239 29.700 -0.290 0.000 0.947 202 E HN 0.487 nan 8.360 nan 0.000 0.440 203 K N 3.398 123.658 120.400 -0.233 0.000 2.349 203 K HA 0.105 4.425 4.320 -0.000 0.000 0.288 203 K C -0.188 176.296 176.600 -0.194 0.000 1.058 203 K CA 0.020 56.202 56.287 -0.175 0.000 0.953 203 K CB 0.702 33.107 32.500 -0.158 0.000 0.997 203 K HN 0.224 nan 8.250 nan 0.000 0.477 204 K N 3.814 124.103 120.400 -0.186 0.000 2.258 204 K HA 0.148 4.468 4.320 -0.000 0.000 0.264 204 K C -2.064 174.398 176.600 -0.230 0.000 1.007 204 K CA -1.491 54.684 56.287 -0.187 0.000 0.941 204 K CB 0.218 32.626 32.500 -0.153 0.000 0.966 204 K HN 0.406 nan 8.250 nan 0.000 0.480 205 P HA 0.088 nan 4.420 nan 0.000 0.277 205 P C -0.687 176.589 177.300 -0.040 0.000 1.240 205 P CA -0.231 62.824 63.100 -0.076 0.000 0.798 205 P CB 0.453 32.131 31.700 -0.037 0.000 0.979 206 F N 0.615 120.652 119.950 0.146 0.000 2.480 206 F HA 0.327 4.854 4.527 -0.000 0.000 0.319 206 F C 1.548 177.493 175.800 0.243 0.000 1.230 206 F CA 0.075 58.163 58.000 0.146 0.000 1.285 206 F CB -0.141 38.933 39.000 0.123 0.000 1.208 206 F HN 0.336 nan 8.300 nan 0.000 0.579 207 A N 2.026 125.058 122.820 0.353 0.000 2.304 207 A HA 0.360 4.680 4.320 -0.000 0.000 0.271 207 A C 1.063 178.595 177.584 -0.087 0.000 1.091 207 A CA -0.617 51.512 52.037 0.152 0.000 0.812 207 A CB 0.301 19.339 19.000 0.063 0.000 1.056 207 A HN 0.860 nan 8.150 nan 0.000 0.489 208 M N -0.083 119.154 119.600 -0.605 0.000 2.108 208 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 208 M C 1.859 177.956 176.300 -0.339 0.000 1.066 208 M CA 1.952 56.677 55.300 -0.957 0.000 1.107 208 M CB -0.753 31.277 32.600 -0.950 0.000 1.356 208 M HN 0.848 nan 8.290 nan 0.000 0.406 209 Q N 0.691 120.370 119.800 -0.203 0.000 2.119 209 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 209 Q C 1.896 177.843 176.000 -0.089 0.000 0.972 209 Q CA 1.336 57.070 55.803 -0.114 0.000 0.847 209 Q CB -0.099 28.593 28.738 -0.078 0.000 0.903 209 Q HN 0.555 nan 8.270 nan 0.000 0.433 210 E N -0.445 119.712 120.200 -0.072 0.000 2.051 210 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 210 E C 1.993 178.510 176.600 -0.138 0.000 0.991 210 E CA 1.497 57.843 56.400 -0.091 0.000 0.799 210 E CB -0.037 29.635 29.700 -0.047 0.000 0.748 210 E HN 0.140 nan 8.360 nan 0.000 0.449 211 V N 1.494 121.358 119.914 -0.083 0.000 2.295 211 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 211 V C 2.272 178.322 176.094 -0.072 0.000 1.049 211 V CA 1.629 63.896 62.300 -0.056 0.000 1.024 211 V CB -0.396 31.498 31.823 0.118 0.000 0.648 211 V HN 0.260 nan 8.190 nan 0.000 0.447 212 I N -0.483 120.048 120.570 -0.065 0.000 2.202 212 I HA -0.216 3.953 4.170 -0.000 0.000 0.242 212 I C 2.667 178.739 176.117 -0.076 0.000 1.091 212 I CA 1.615 62.879 61.300 -0.060 0.000 1.368 212 I CB -0.370 37.600 38.000 -0.050 0.000 1.058 212 I HN 0.189 nan 8.210 nan 0.000 0.410 213 R N 0.428 120.880 120.500 -0.080 0.000 2.236 213 R HA -0.054 4.286 4.340 -0.000 0.000 0.208 213 R C 2.356 178.602 176.300 -0.089 0.000 1.036 213 R CA 1.282 57.336 56.100 -0.076 0.000 1.001 213 R CB -0.179 30.081 30.300 -0.066 0.000 0.896 213 R HN 0.437 nan 8.270 nan 0.000 0.464 214 S N -0.440 115.193 115.700 -0.112 0.000 2.470 214 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 214 S C 1.469 176.003 174.600 -0.111 0.000 1.006 214 S CA 0.403 58.535 58.200 -0.115 0.000 0.934 214 S CB 0.222 63.321 63.200 -0.169 0.000 0.778 214 S HN 0.414 nan 8.310 nan 0.000 0.517 215 G N 1.569 110.286 108.800 -0.138 0.000 2.273 215 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 215 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 215 G C 0.297 175.049 174.900 -0.247 0.000 1.047 215 G CA 0.469 45.449 45.100 -0.201 0.000 0.869 215 G HN 0.660 nan 8.290 nan 0.000 0.502 216 I N -0.387 120.085 120.570 -0.163 0.000 2.830 216 I HA 0.137 4.307 4.170 -0.000 0.000 0.263 216 I C 2.119 178.023 176.117 -0.355 0.000 1.230 216 I CA 1.418 62.673 61.300 -0.075 0.000 1.480 216 I CB 0.016 37.968 38.000 -0.080 0.000 1.095 216 I HN 0.256 nan 8.210 nan 0.000 0.455 217 G N 0.791 109.201 108.800 -0.649 0.000 3.284 217 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.236 217 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.236 217 G C 1.462 175.836 174.900 -0.877 0.000 1.158 217 G CA -0.163 44.035 45.100 -1.503 0.000 0.774 217 G HN 0.458 nan 8.290 nan 0.000 0.545 218 R N -0.068 120.123 120.500 -0.515 0.000 2.152 218 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 218 R C 1.511 177.727 176.300 -0.141 0.000 1.117 218 R CA 1.507 57.418 56.100 -0.315 0.000 0.981 218 R CB -0.286 29.762 30.300 -0.421 0.000 0.870 218 R HN 0.214 nan 8.270 nan 0.000 0.451 219 N N -0.535 118.130 118.700 -0.058 0.000 2.236 219 N HA 0.066 4.806 4.740 -0.000 0.000 0.196 219 N C 0.365 176.124 175.510 0.416 0.000 1.114 219 N CA -0.056 53.120 53.050 0.211 0.000 0.859 219 N CB 0.147 38.826 38.487 0.320 0.000 0.982 219 N HN 0.068 nan 8.380 nan 0.000 0.493 220 F N 0.678 120.746 119.950 0.197 0.000 2.171 220 F HA -0.076 4.451 4.527 0.000 0.000 0.300 220 F C 2.596 178.353 175.800 -0.071 0.000 1.090 220 F CA 0.867 58.948 58.000 0.136 0.000 1.293 220 F CB -1.270 37.835 39.000 0.175 0.000 1.013 220 F HN 0.107 nan 8.300 nan 0.000 0.486 221 S N -0.250 115.564 115.700 0.190 0.000 2.474 221 S HA -0.227 4.243 4.470 -0.000 0.000 0.235 221 S C 1.978 176.612 174.600 0.058 0.000 0.997 221 S CA 0.363 58.590 58.200 0.044 0.000 0.949 221 S CB -1.559 61.809 63.200 0.279 0.000 0.766 221 S HN 0.309 nan 8.310 nan 0.000 0.517 222 F N 3.439 123.417 119.950 0.046 0.000 2.147 222 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 222 F C 1.570 177.385 175.800 0.025 0.000 1.084 222 F CA 2.000 60.046 58.000 0.076 0.000 1.268 222 F CB -0.496 38.575 39.000 0.119 0.000 1.009 222 F HN 0.149 nan 8.300 nan 0.000 0.486 223 D N -0.215 120.167 120.400 -0.030 0.000 2.265 223 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 223 D C 1.796 178.064 176.300 -0.054 0.000 0.977 223 D CA 1.239 55.168 54.000 -0.117 0.000 0.871 223 D CB -0.419 40.241 40.800 -0.234 0.000 0.925 223 D HN 0.333 nan 8.370 nan 0.000 0.485 224 F N 0.527 120.490 119.950 0.022 0.000 2.776 224 F HA 0.269 4.796 4.527 -0.000 0.000 0.300 224 F C 1.850 177.632 175.800 -0.029 0.000 1.116 224 F CA -0.709 57.299 58.000 0.015 0.000 1.375 224 F CB -0.791 38.246 39.000 0.063 0.000 1.109 224 F HN -0.254 nan 8.300 nan 0.000 0.585 225 G N -0.396 108.426 108.800 0.036 0.000 2.321 225 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.237 225 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.237 225 G C 0.647 175.545 174.900 -0.003 0.000 1.282 225 G CA -0.134 44.955 45.100 -0.017 0.000 0.886 225 G HN 0.339 nan 8.290 nan 0.000 0.528 226 Y N 1.637 121.902 120.300 -0.059 0.000 2.207 226 Y HA -0.223 4.327 4.550 -0.000 0.000 0.287 226 Y C 2.173 177.957 175.900 -0.194 0.000 1.156 226 Y CA 2.427 60.468 58.100 -0.098 0.000 1.182 226 Y CB 0.237 38.646 38.460 -0.086 0.000 0.979 226 Y HN 0.618 nan 8.280 nan 0.000 0.521 227 D N -1.983 118.218 120.400 -0.331 0.000 2.340 227 D HA 0.002 4.642 4.640 -0.000 0.000 0.217 227 D C 1.205 177.252 176.300 -0.421 0.000 1.081 227 D CA 0.278 53.902 54.000 -0.626 0.000 0.842 227 D CB -0.062 40.282 40.800 -0.761 0.000 0.934 227 D HN 0.349 nan 8.370 nan 0.000 0.511 228 Q N -0.042 119.592 119.800 -0.275 0.000 2.288 228 Q HA 0.320 4.660 4.340 -0.000 0.000 0.256 228 Q C 0.615 176.514 176.000 -0.169 0.000 0.835 228 Q CA 0.117 55.787 55.803 -0.222 0.000 0.958 228 Q CB 0.653 29.051 28.738 -0.566 0.000 1.125 228 Q HN 0.297 nan 8.270 nan 0.000 0.513 229 A N 2.328 125.051 122.820 -0.161 0.000 2.531 229 A HA 0.147 4.466 4.320 -0.000 0.000 0.236 229 A C 0.629 178.183 177.584 -0.050 0.000 1.062 229 A CA 0.113 52.112 52.037 -0.063 0.000 0.760 229 A CB 0.063 19.055 19.000 -0.014 0.000 0.995 229 A HN 0.125 nan 8.150 nan 0.000 0.501 230 M N 2.408 122.007 119.600 -0.002 0.000 2.252 230 M HA 0.108 4.588 4.480 -0.000 0.000 0.333 230 M C 0.307 176.608 176.300 0.002 0.000 1.111 230 M CA 0.477 55.772 55.300 -0.008 0.000 1.140 230 M CB 0.059 32.663 32.600 0.006 0.000 1.538 230 M HN 0.566 nan 8.290 nan 0.000 0.448 231 M N 2.965 122.577 119.600 0.021 0.000 2.211 231 M HA 0.389 4.868 4.480 -0.000 0.000 0.356 231 M C -0.214 176.012 176.300 -0.124 0.000 1.216 231 M CA 0.145 55.417 55.300 -0.046 0.000 1.134 231 M CB 0.935 33.592 32.600 0.096 0.000 1.564 231 M HN 0.508 nan 8.290 nan 0.000 0.463 232 M N 2.485 121.860 119.600 -0.374 0.000 2.664 232 M HA 0.619 5.099 4.480 -0.000 0.000 0.314 232 M C -1.080 174.737 176.300 -0.804 0.000 1.200 232 M CA -0.344 54.768 55.300 -0.313 0.000 0.916 232 M CB 1.967 34.544 32.600 -0.038 0.000 1.717 232 M HN 0.474 nan 8.290 nan 0.000 0.470 233 F N -0.745 119.228 119.950 0.038 0.000 2.629 233 F HA 0.738 5.264 4.527 -0.000 0.000 0.316 233 F C 0.207 176.008 175.800 0.001 0.000 1.081 233 F CA -0.564 57.461 58.000 0.041 0.000 0.954 233 F CB 2.265 41.271 39.000 0.010 0.000 1.337 233 F HN 0.474 nan 8.300 nan 0.000 0.474 234 T N 1.313 115.960 114.554 0.155 0.000 2.885 234 T HA 0.480 4.829 4.350 -0.000 0.000 0.322 234 T C -3.143 171.619 174.700 0.103 0.000 1.387 234 T CA -1.798 60.339 62.100 0.061 0.000 1.041 234 T CB 2.030 70.836 68.868 -0.103 0.000 1.287 234 T HN 0.116 nan 8.240 nan 0.000 0.491 235 P HA 0.257 nan 4.420 nan 0.000 0.271 235 P C -0.579 176.793 177.300 0.119 0.000 1.216 235 P CA -0.390 62.761 63.100 0.085 0.000 0.771 235 P CB 0.450 32.177 31.700 0.045 0.000 0.864 236 V N 3.884 123.860 119.914 0.103 0.000 2.493 236 V HA 0.205 4.325 4.120 -0.000 0.000 0.292 236 V C 1.668 177.788 176.094 0.043 0.000 1.016 236 V CA 1.897 64.269 62.300 0.120 0.000 1.097 236 V CB -0.617 31.249 31.823 0.070 0.000 0.947 236 V HN 1.039 nan 8.190 nan 0.000 0.479 237 G N 3.187 112.026 108.800 0.065 0.000 2.176 237 G HA2 0.183 4.143 3.960 -0.000 0.000 0.253 237 G HA3 0.183 4.143 3.960 -0.000 0.000 0.253 237 G C 0.652 175.018 174.900 -0.891 0.000 0.979 237 G CA -0.163 44.785 45.100 -0.253 0.000 0.641 237 G HN 2.368 nan 8.290 nan 0.000 0.530 238 G N -2.198 106.213 108.800 -0.648 0.000 2.453 238 G HA2 0.350 4.310 3.960 -0.000 0.000 0.665 238 G HA3 0.350 4.310 3.960 -0.000 0.000 0.665 238 G C 0.207 175.056 174.900 -0.086 0.000 1.411 238 G CA 0.296 45.063 45.100 -0.554 0.000 0.889 238 G HN 1.265 nan 8.290 nan 0.000 0.651 239 M N 1.240 120.883 119.600 0.072 0.000 2.296 239 M HA 0.052 4.532 4.480 -0.000 0.000 0.265 239 M C 2.206 178.628 176.300 0.204 0.000 1.064 239 M CA 2.490 57.882 55.300 0.153 0.000 1.109 239 M CB -0.272 32.455 32.600 0.211 0.000 1.396 239 M HN 0.706 nan 8.290 nan 0.000 0.430 240 D N -0.817 119.715 120.400 0.221 0.000 2.350 240 D HA -0.184 4.455 4.640 -0.000 0.000 0.216 240 D C 1.603 178.105 176.300 0.337 0.000 0.968 240 D CA 0.897 55.110 54.000 0.355 0.000 0.894 240 D CB -0.655 40.387 40.800 0.403 0.000 0.909 240 D HN 0.436 nan 8.370 nan 0.000 0.520 241 R N 0.003 120.598 120.500 0.157 0.000 2.148 241 R HA 0.078 4.418 4.340 -0.000 0.000 0.227 241 R C 2.364 178.653 176.300 -0.018 0.000 1.103 241 R CA 0.648 56.807 56.100 0.097 0.000 0.983 241 R CB -0.222 30.070 30.300 -0.012 0.000 0.874 241 R HN 0.298 nan 8.270 nan 0.000 0.451 242 I N -0.422 120.044 120.570 -0.172 0.000 2.226 242 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 242 I C 1.424 177.178 176.117 -0.606 0.000 1.100 242 I CA 1.455 62.452 61.300 -0.506 0.000 1.374 242 I CB -0.155 37.389 38.000 -0.761 0.000 1.057 242 I HN 0.128 nan 8.210 nan 0.000 0.413 243 Y N -1.344 119.035 120.300 0.132 0.000 2.490 243 Y HA -0.037 4.513 4.550 0.000 0.000 0.285 243 Y C 2.108 178.004 175.900 -0.007 0.000 1.117 243 Y CA 0.312 58.489 58.100 0.128 0.000 1.262 243 Y CB -0.722 37.756 38.460 0.030 0.000 1.043 243 Y HN 0.048 nan 8.280 nan 0.000 0.553 244 Y N -0.398 119.975 120.300 0.122 0.000 2.242 244 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 244 Y C 2.516 178.440 175.900 0.040 0.000 1.137 244 Y CA 0.977 59.123 58.100 0.078 0.000 1.181 244 Y CB -0.691 37.786 38.460 0.028 0.000 0.989 244 Y HN 0.088 nan 8.280 nan 0.000 0.527 245 A N -0.340 122.527 122.820 0.079 0.000 1.902 245 A HA -0.158 4.161 4.320 -0.000 0.000 0.217 245 A C 1.942 179.504 177.584 -0.036 0.000 1.181 245 A CA 1.406 53.421 52.037 -0.037 0.000 0.623 245 A CB -1.170 17.718 19.000 -0.186 0.000 0.818 245 A HN 0.383 nan 8.150 nan 0.000 0.443 246 F N 0.091 119.963 119.950 -0.129 0.000 2.102 246 F HA -0.218 4.309 4.527 0.000 0.000 0.298 246 F C 2.646 178.458 175.800 0.020 0.000 1.105 246 F CA 1.871 59.791 58.000 -0.133 0.000 1.239 246 F CB -0.686 38.221 39.000 -0.155 0.000 0.991 246 F HN 0.394 nan 8.300 nan 0.000 0.474 247 Q N 0.403 120.353 119.800 0.251 0.000 2.096 247 Q HA -0.270 4.070 4.340 -0.000 0.000 0.208 247 Q C 1.680 177.799 176.000 0.198 0.000 0.993 247 Q CA 2.294 58.226 55.803 0.214 0.000 0.862 247 Q CB -0.255 28.604 28.738 0.203 0.000 0.915 247 Q HN 0.305 nan 8.270 nan 0.000 0.416 248 D N -0.417 120.088 120.400 0.175 0.000 2.144 248 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 248 D C 2.012 178.402 176.300 0.150 0.000 0.978 248 D CA 0.769 54.857 54.000 0.145 0.000 0.833 248 D CB -0.100 40.769 40.800 0.114 0.000 0.961 248 D HN 0.212 nan 8.370 nan 0.000 0.470 249 R N 0.278 120.890 120.500 0.186 0.000 2.092 249 R HA 0.039 4.379 4.340 -0.000 0.000 0.231 249 R C 2.482 178.935 176.300 0.256 0.000 1.119 249 R CA 0.368 56.618 56.100 0.250 0.000 0.970 249 R CB -0.577 29.963 30.300 0.401 0.000 0.864 249 R HN 0.322 nan 8.270 nan 0.000 0.440 250 I N -0.002 120.729 120.570 0.268 0.000 2.353 250 I HA -0.065 4.105 4.170 -0.000 0.000 0.248 250 I C 0.766 176.959 176.117 0.128 0.000 1.119 250 I CA 0.934 62.352 61.300 0.197 0.000 1.417 250 I CB -0.298 37.807 38.000 0.176 0.000 1.078 250 I HN 0.275 nan 8.210 nan 0.000 0.421 251 G N 0.938 109.817 108.800 0.132 0.000 3.190 251 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 251 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 251 G C 0.539 175.502 174.900 0.106 0.000 1.033 251 G CA -0.111 45.054 45.100 0.107 0.000 0.797 251 G HN 0.254 nan 8.290 nan 0.000 0.567 252 T N -1.087 113.543 114.554 0.126 0.000 3.051 252 T HA -0.007 4.343 4.350 -0.000 0.000 0.269 252 T C 1.495 176.255 174.700 0.099 0.000 1.127 252 T CA 1.791 63.983 62.100 0.153 0.000 1.107 252 T CB 0.020 69.004 68.868 0.194 0.000 0.898 252 T HN 0.440 nan 8.240 nan 0.000 0.517 253 D N 2.026 122.470 120.400 0.073 0.000 2.263 253 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 253 D C 1.511 177.828 176.300 0.027 0.000 0.971 253 D CA 0.713 54.743 54.000 0.050 0.000 0.867 253 D CB -0.224 40.603 40.800 0.046 0.000 0.929 253 D HN 0.457 nan 8.370 nan 0.000 0.492 254 N N -0.084 118.628 118.700 0.020 0.000 2.230 254 N HA 0.136 4.876 4.740 -0.000 0.000 0.202 254 N C -0.054 175.414 175.510 -0.071 0.000 1.119 254 N CA 0.078 53.122 53.050 -0.011 0.000 0.851 254 N CB 1.555 40.048 38.487 0.009 0.000 0.990 254 N HN 0.233 nan 8.380 nan 0.000 0.497 255 I N 0.752 121.262 120.570 -0.101 0.000 2.533 255 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 255 I C -0.658 175.277 176.117 -0.302 0.000 1.056 255 I CA -0.956 60.176 61.300 -0.280 0.000 1.057 255 I CB 2.670 40.434 38.000 -0.394 0.000 1.240 255 I HN -0.378 nan 8.210 nan 0.000 0.423 256 V N 6.223 125.904 119.914 -0.387 0.000 2.311 256 V HA 0.378 4.497 4.120 -0.000 0.000 0.275 256 V C -0.207 175.648 176.094 -0.398 0.000 1.022 256 V CA -0.421 61.713 62.300 -0.277 0.000 0.830 256 V CB 0.476 32.157 31.823 -0.238 0.000 1.012 256 V HN 0.374 nan 8.190 nan 0.000 0.452 257 F N 1.927 121.839 119.950 -0.064 0.000 2.370 257 F HA 0.629 5.156 4.527 -0.000 0.000 0.319 257 F C 1.515 177.285 175.800 -0.050 0.000 1.129 257 F CA 0.585 58.542 58.000 -0.070 0.000 1.109 257 F CB 1.033 40.009 39.000 -0.040 0.000 1.262 257 F HN 0.690 nan 8.300 nan 0.000 0.534 258 G N 0.844 109.726 108.800 0.136 0.000 2.179 258 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.257 258 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.257 258 G C -0.133 174.786 174.900 0.032 0.000 1.010 258 G CA 0.094 45.234 45.100 0.068 0.000 0.736 258 G HN 1.071 nan 8.290 nan 0.000 0.513 259 A N 0.243 123.032 122.820 -0.051 0.000 2.444 259 A HA 0.659 4.978 4.320 -0.000 0.000 0.332 259 A C 0.272 177.800 177.584 -0.093 0.000 1.430 259 A CA 0.062 52.077 52.037 -0.038 0.000 0.975 259 A CB 0.403 19.224 19.000 -0.299 0.000 1.147 259 A HN 0.534 nan 8.150 nan 0.000 0.524 260 E N 3.234 123.441 120.200 0.011 0.000 2.052 260 E HA 0.352 4.702 4.350 -0.000 0.000 0.283 260 E C -0.652 175.993 176.600 0.075 0.000 1.071 260 E CA -0.379 56.013 56.400 -0.013 0.000 0.851 260 E CB 0.620 30.369 29.700 0.083 0.000 1.066 260 E HN 0.419 nan 8.360 nan 0.000 0.396 261 V N 4.683 124.610 119.914 0.022 0.000 2.599 261 V HA -0.031 4.089 4.120 -0.000 0.000 0.300 261 V C 1.389 177.527 176.094 0.073 0.000 1.034 261 V CA 1.113 63.454 62.300 0.069 0.000 1.115 261 V CB 1.020 32.848 31.823 0.009 0.000 0.934 261 V HN 0.941 nan 8.190 nan 0.000 0.485 262 T N -0.458 114.146 114.554 0.083 0.000 2.958 262 T HA 0.251 4.601 4.350 -0.000 0.000 0.256 262 T C 0.510 175.239 174.700 0.048 0.000 0.983 262 T CA 0.382 62.518 62.100 0.060 0.000 0.924 262 T CB 0.521 69.420 68.868 0.052 0.000 1.136 262 T HN 0.601 nan 8.240 nan 0.000 0.506 263 S N 0.363 116.095 115.700 0.053 0.000 2.537 263 S HA 0.717 5.187 4.470 -0.000 0.000 0.270 263 S C -1.729 172.899 174.600 0.047 0.000 1.142 263 S CA -0.829 57.397 58.200 0.043 0.000 0.870 263 S CB 1.794 65.013 63.200 0.032 0.000 1.112 263 S HN 0.477 nan 8.310 nan 0.000 0.466 264 M N 4.292 123.916 119.600 0.041 0.000 2.206 264 M HA 0.513 4.993 4.480 -0.000 0.000 0.272 264 M C -2.196 174.120 176.300 0.028 0.000 1.012 264 M CA -0.248 55.074 55.300 0.036 0.000 0.986 264 M CB 1.169 33.795 32.600 0.043 0.000 1.740 264 M HN 0.662 nan 8.290 nan 0.000 0.472 265 K N 3.387 123.797 120.400 0.017 0.000 2.513 265 K HA 0.405 4.725 4.320 -0.000 0.000 0.251 265 K C -1.212 175.387 176.600 -0.003 0.000 0.939 265 K CA -0.756 55.536 56.287 0.009 0.000 0.793 265 K CB 2.192 34.698 32.500 0.010 0.000 1.241 265 K HN 0.702 nan 8.250 nan 0.000 0.431 266 N N 1.519 120.214 118.700 -0.009 0.000 2.452 266 N HA 0.110 4.850 4.740 -0.000 0.000 0.266 266 N C -0.425 175.075 175.510 -0.015 0.000 1.209 266 N CA -0.131 52.908 53.050 -0.018 0.000 0.929 266 N CB 0.607 39.081 38.487 -0.021 0.000 1.063 266 N HN 0.274 nan 8.380 nan 0.000 0.472 267 V N -0.483 119.418 119.914 -0.021 0.000 3.126 267 V HA 0.450 4.570 4.120 -0.000 0.000 0.314 267 V C 1.154 177.232 176.094 -0.026 0.000 1.138 267 V CA -0.747 61.541 62.300 -0.019 0.000 1.034 267 V CB 1.486 33.299 31.823 -0.017 0.000 1.075 267 V HN 0.670 nan 8.190 nan 0.000 0.442 268 S N 0.198 115.885 115.700 -0.022 0.000 2.419 268 S HA -0.211 4.259 4.470 -0.000 0.000 0.235 268 S C 1.110 175.690 174.600 -0.032 0.000 1.019 268 S CA 1.710 59.896 58.200 -0.023 0.000 0.982 268 S CB -0.756 62.433 63.200 -0.018 0.000 0.789 268 S HN 1.005 nan 8.310 nan 0.000 0.490 269 E N 0.868 121.047 120.200 -0.035 0.000 2.474 269 E HA 0.532 4.882 4.350 -0.000 0.000 0.195 269 E C 1.098 177.660 176.600 -0.062 0.000 1.039 269 E CA 0.038 56.412 56.400 -0.042 0.000 0.881 269 E CB 0.159 29.840 29.700 -0.032 0.000 0.970 269 E HN 0.584 nan 8.360 nan 0.000 0.486 270 G N 0.344 109.101 108.800 -0.071 0.000 2.181 270 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.098 270 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.098 270 G C -1.303 173.556 174.900 -0.069 0.000 1.237 270 G CA -0.408 44.630 45.100 -0.104 0.000 1.238 270 G HN 0.088 nan 8.290 nan 0.000 0.468 271 V N 1.163 121.046 119.914 -0.052 0.000 2.531 271 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 271 V C -0.175 175.915 176.094 -0.007 0.000 1.034 271 V CA -0.349 61.937 62.300 -0.023 0.000 0.865 271 V CB 1.547 33.364 31.823 -0.009 0.000 0.995 271 V HN 0.839 nan 8.190 nan 0.000 0.424 272 T N 4.273 118.827 114.554 0.001 0.000 2.794 272 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 272 T C -0.445 174.272 174.700 0.028 0.000 0.987 272 T CA -0.351 61.757 62.100 0.014 0.000 0.993 272 T CB 1.545 70.418 68.868 0.008 0.000 0.939 272 T HN 0.379 nan 8.240 nan 0.000 0.449 273 V N 3.947 123.892 119.914 0.051 0.000 2.444 273 V HA 0.393 4.513 4.120 -0.000 0.000 0.294 273 V C -0.095 176.078 176.094 0.132 0.000 1.022 273 V CA -0.906 61.441 62.300 0.078 0.000 0.850 273 V CB 1.787 33.650 31.823 0.067 0.000 0.992 273 V HN 0.845 nan 8.190 nan 0.000 0.426 274 E N 4.161 124.425 120.200 0.107 0.000 2.204 274 E HA 0.681 5.031 4.350 -0.000 0.000 0.276 274 E C -1.503 175.197 176.600 0.168 0.000 0.974 274 E CA -0.551 55.896 56.400 0.079 0.000 0.815 274 E CB 2.201 31.910 29.700 0.015 0.000 1.119 274 E HN 0.738 nan 8.360 nan 0.000 0.393 275 Y N -2.046 118.246 120.300 -0.014 0.000 2.609 275 Y HA 0.491 5.041 4.550 -0.000 0.000 0.336 275 Y C -1.033 174.860 175.900 -0.012 0.000 1.129 275 Y CA -1.164 56.925 58.100 -0.018 0.000 1.040 275 Y CB 1.189 39.627 38.460 -0.036 0.000 1.310 275 Y HN 0.163 nan 8.280 nan 0.000 0.460 276 T N 2.606 117.235 114.554 0.124 0.000 2.758 276 T HA 0.799 5.149 4.350 -0.000 0.000 0.285 276 T C -0.685 174.102 174.700 0.145 0.000 0.981 276 T CA -0.294 61.834 62.100 0.047 0.000 0.965 276 T CB 0.824 69.719 68.868 0.045 0.000 0.927 276 T HN 0.939 nan 8.240 nan 0.000 0.448 277 A N 1.944 124.828 122.820 0.107 0.000 2.359 277 A HA 0.753 5.073 4.320 -0.000 0.000 0.303 277 A C 0.926 178.556 177.584 0.076 0.000 1.066 277 A CA -0.260 51.863 52.037 0.143 0.000 0.730 277 A CB 0.670 19.826 19.000 0.261 0.000 1.211 277 A HN 1.392 nan 8.150 nan 0.000 0.439 278 G N 1.111 109.953 108.800 0.071 0.000 2.221 278 G HA2 0.148 4.108 3.960 -0.000 0.000 0.265 278 G HA3 0.148 4.108 3.960 -0.000 0.000 0.265 278 G C 1.646 176.566 174.900 0.034 0.000 1.041 278 G CA 1.287 46.417 45.100 0.050 0.000 0.807 278 G HN 2.848 nan 8.290 nan 0.000 0.502 279 G N -1.960 106.860 108.800 0.034 0.000 2.184 279 G HA2 -0.024 3.935 3.960 -0.000 0.000 0.264 279 G HA3 -0.024 3.935 3.960 -0.000 0.000 0.264 279 G C 0.579 175.480 174.900 0.003 0.000 0.975 279 G CA 1.395 46.507 45.100 0.020 0.000 0.642 279 G HN 2.103 nan 8.290 nan 0.000 0.536 280 S N 0.046 115.741 115.700 -0.007 0.000 2.549 280 S HA 0.651 5.121 4.470 -0.000 0.000 0.297 280 S C 0.042 174.593 174.600 -0.082 0.000 1.115 280 S CA -0.691 57.488 58.200 -0.036 0.000 1.059 280 S CB 0.824 64.005 63.200 -0.033 0.000 1.046 280 S HN 0.216 nan 8.310 nan 0.000 0.506 281 K N 3.822 124.163 120.400 -0.099 0.000 2.227 281 K HA 0.450 4.770 4.320 -0.000 0.000 0.280 281 K C -0.348 176.111 176.600 -0.235 0.000 1.041 281 K CA -0.474 55.724 56.287 -0.149 0.000 0.905 281 K CB 0.934 33.377 32.500 -0.095 0.000 1.068 281 K HN 0.505 nan 8.250 nan 0.000 0.470 282 K N 0.532 120.669 120.400 -0.439 0.000 2.400 282 K HA 0.482 4.802 4.320 -0.000 0.000 0.246 282 K C -0.600 175.705 176.600 -0.492 0.000 0.995 282 K CA -0.804 55.139 56.287 -0.572 0.000 0.840 282 K CB 2.336 34.207 32.500 -1.049 0.000 1.293 282 K HN 0.507 nan 8.250 nan 0.000 0.445 283 S N 0.688 116.231 115.700 -0.262 0.000 2.536 283 S HA 0.668 5.138 4.470 -0.000 0.000 0.271 283 S C -1.576 173.055 174.600 0.051 0.000 1.134 283 S CA -0.791 57.371 58.200 -0.063 0.000 0.897 283 S CB 0.897 64.068 63.200 -0.048 0.000 1.094 283 S HN 0.579 nan 8.310 nan 0.000 0.473 284 I N 3.126 123.769 120.570 0.123 0.000 2.619 284 I HA 0.612 4.782 4.170 -0.000 0.000 0.292 284 I C -1.166 174.986 176.117 0.057 0.000 1.100 284 I CA -0.135 61.228 61.300 0.104 0.000 1.043 284 I CB 2.285 40.373 38.000 0.148 0.000 1.239 284 I HN 0.624 nan 8.210 nan 0.000 0.420 285 T N 6.433 121.006 114.554 0.032 0.000 2.807 285 T HA 0.838 5.188 4.350 -0.000 0.000 0.279 285 T C -0.558 174.146 174.700 0.006 0.000 0.993 285 T CA -0.479 61.628 62.100 0.012 0.000 0.970 285 T CB 1.585 70.453 68.868 -0.001 0.000 0.950 285 T HN 0.712 nan 8.240 nan 0.000 0.441 286 A N 1.701 124.521 122.820 -0.001 0.000 2.532 286 A HA 0.689 5.009 4.320 -0.000 0.000 0.290 286 A C 0.398 177.956 177.584 -0.044 0.000 1.143 286 A CA -0.705 51.332 52.037 0.001 0.000 0.728 286 A CB 0.997 20.016 19.000 0.032 0.000 1.317 286 A HN 0.669 nan 8.150 nan 0.000 0.414 287 D N -0.750 119.610 120.400 -0.066 0.000 2.178 287 D HA 0.036 4.675 4.640 -0.000 0.000 0.202 287 D C -0.424 175.550 176.300 -0.544 0.000 0.974 287 D CA 2.134 55.963 54.000 -0.284 0.000 0.841 287 D CB -0.064 40.582 40.800 -0.256 0.000 0.953 287 D HN 0.491 nan 8.370 nan 0.000 0.478 288 Y N -0.976 119.373 120.300 0.082 0.000 2.581 288 Y HA 0.582 5.132 4.550 -0.000 0.000 0.345 288 Y C -0.334 175.593 175.900 0.046 0.000 1.036 288 Y CA -1.424 56.728 58.100 0.087 0.000 1.042 288 Y CB 1.932 40.450 38.460 0.096 0.000 1.289 288 Y HN -0.227 nan 8.280 nan 0.000 0.471 289 A N 2.046 124.996 122.820 0.216 0.000 2.371 289 A HA 0.839 5.159 4.320 -0.000 0.000 0.311 289 A C -1.367 176.271 177.584 0.090 0.000 1.068 289 A CA -0.671 51.423 52.037 0.095 0.000 0.744 289 A CB 0.700 19.720 19.000 0.034 0.000 1.239 289 A HN 0.694 nan 8.150 nan 0.000 0.435 290 I N 1.912 122.494 120.570 0.020 0.000 2.354 290 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 290 I C -0.419 175.699 176.117 0.001 0.000 1.007 290 I CA -0.348 60.952 61.300 0.000 0.000 1.167 290 I CB 1.389 39.353 38.000 -0.059 0.000 1.320 290 I HN 0.643 nan 8.210 nan 0.000 0.458 291 C N 5.697 125.014 119.300 0.028 0.000 2.239 291 C HA 0.409 4.869 4.460 -0.000 0.000 0.325 291 C C 1.544 176.644 174.990 0.185 0.000 1.231 291 C CA -0.165 58.913 59.018 0.099 0.000 1.652 291 C CB -0.396 27.436 27.740 0.153 0.000 2.284 291 C HN 0.915 nan 8.230 nan 0.000 0.499 292 T N 3.323 117.936 114.554 0.099 0.000 3.085 292 T HA 0.299 4.649 4.350 -0.000 0.000 0.264 292 T C 0.455 175.198 174.700 0.070 0.000 1.019 292 T CA -0.147 62.016 62.100 0.105 0.000 0.910 292 T CB -0.348 68.532 68.868 0.021 0.000 1.059 292 T HN 0.645 nan 8.240 nan 0.000 0.542 293 I N 3.194 123.791 120.570 0.046 0.000 2.683 293 I HA 0.182 4.351 4.170 -0.000 0.000 0.286 293 I C -2.035 174.031 176.117 -0.085 0.000 1.175 293 I CA -2.063 59.225 61.300 -0.021 0.000 1.429 293 I CB 0.376 38.366 38.000 -0.017 0.000 1.371 293 I HN 0.048 nan 8.210 nan 0.000 0.569 294 P HA -0.045 nan 4.420 nan 0.000 0.265 294 P C -1.877 175.159 177.300 -0.441 0.000 1.187 294 P CA -0.798 62.107 63.100 -0.325 0.000 0.766 294 P CB -0.032 31.484 31.700 -0.307 0.000 0.820 295 P HA -0.202 nan 4.420 nan 0.000 0.217 295 P C 1.114 178.274 177.300 -0.233 0.000 1.150 295 P CA 1.841 64.738 63.100 -0.338 0.000 0.832 295 P CB -0.516 30.954 31.700 -0.382 0.000 0.787 296 H N -1.130 117.813 119.070 -0.212 0.000 2.518 296 H HA 0.047 4.603 4.556 -0.000 0.000 0.289 296 H C 1.788 177.064 175.328 -0.086 0.000 1.051 296 H CA 0.560 56.525 56.048 -0.139 0.000 1.280 296 H CB -1.263 28.418 29.762 -0.136 0.000 1.380 296 H HN 0.120 nan 8.280 nan 0.000 0.566 297 L N 0.262 121.204 121.223 -0.469 0.000 2.554 297 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 297 L C 1.804 178.601 176.870 -0.121 0.000 1.104 297 L CA -0.078 54.607 54.840 -0.258 0.000 0.866 297 L CB 0.250 42.136 42.059 -0.289 0.000 1.047 297 L HN 0.201 nan 8.230 nan 0.000 0.468 298 V N 0.655 120.499 119.914 -0.116 0.000 2.427 298 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 298 V C 2.568 178.662 176.094 0.001 0.000 1.051 298 V CA 1.988 64.271 62.300 -0.029 0.000 1.048 298 V CB -0.973 30.840 31.823 -0.017 0.000 0.666 298 V HN 0.562 nan 8.190 nan 0.000 0.456 299 G N -0.166 108.625 108.800 -0.016 0.000 2.509 299 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 299 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 299 G C 1.676 176.582 174.900 0.010 0.000 1.124 299 G CA 0.210 45.313 45.100 0.005 0.000 0.776 299 G HN 0.466 nan 8.290 nan 0.000 0.547 300 R N -0.602 119.900 120.500 0.003 0.000 2.236 300 R HA 0.194 4.534 4.340 -0.000 0.000 0.208 300 R C 0.514 176.826 176.300 0.020 0.000 1.036 300 R CA -0.148 55.957 56.100 0.010 0.000 1.001 300 R CB -0.156 30.147 30.300 0.004 0.000 0.896 300 R HN 0.291 nan 8.270 nan 0.000 0.464 301 L N 2.253 123.491 121.223 0.026 0.000 2.439 301 L HA 0.043 4.383 4.340 -0.000 0.000 0.269 301 L C 0.549 177.440 176.870 0.034 0.000 1.179 301 L CA -0.374 54.487 54.840 0.035 0.000 0.828 301 L CB 0.435 42.521 42.059 0.045 0.000 1.106 301 L HN 0.026 nan 8.230 nan 0.000 0.467 302 Q N 4.633 124.452 119.800 0.032 0.000 2.274 302 Q HA 0.118 4.458 4.340 -0.000 0.000 0.280 302 Q C -0.570 175.450 176.000 0.034 0.000 1.047 302 Q CA 0.386 56.207 55.803 0.029 0.000 0.907 302 Q CB 0.448 29.200 28.738 0.024 0.000 1.171 302 Q HN 0.744 nan 8.270 nan 0.000 0.381 303 N N 0.801 119.522 118.700 0.034 0.000 2.825 303 N HA 0.219 4.959 4.740 -0.000 0.000 0.253 303 N C -0.950 174.581 175.510 0.035 0.000 1.426 303 N CA -0.668 52.407 53.050 0.041 0.000 0.851 303 N CB 0.867 39.389 38.487 0.059 0.000 1.470 303 N HN 0.341 nan 8.380 nan 0.000 0.517 304 N N 0.260 118.980 118.700 0.034 0.000 2.497 304 N HA 0.240 4.980 4.740 -0.000 0.000 0.284 304 N C -0.837 174.695 175.510 0.036 0.000 1.459 304 N CA -0.388 52.680 53.050 0.029 0.000 0.899 304 N CB -0.008 38.489 38.487 0.017 0.000 1.316 304 N HN 0.464 nan 8.380 nan 0.000 0.500 305 L N 0.264 121.521 121.223 0.057 0.000 2.426 305 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 305 L C -1.793 175.114 176.870 0.061 0.000 1.169 305 L CA -1.649 53.238 54.840 0.077 0.000 0.836 305 L CB 0.192 42.329 42.059 0.129 0.000 1.112 305 L HN -0.022 nan 8.230 nan 0.000 0.465 306 P HA 0.040 nan 4.420 nan 0.000 0.272 306 P C 0.729 178.059 177.300 0.050 0.000 1.223 306 P CA -0.148 62.980 63.100 0.046 0.000 0.784 306 P CB 0.792 32.517 31.700 0.041 0.000 0.923 307 G N 2.149 110.973 108.800 0.039 0.000 2.442 307 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 307 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 307 G C 1.000 175.925 174.900 0.042 0.000 1.141 307 G CA 0.939 46.062 45.100 0.038 0.000 0.763 307 G HN 0.622 nan 8.290 nan 0.000 0.554 308 D N 0.535 120.961 120.400 0.043 0.000 2.264 308 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 308 D C 2.315 178.651 176.300 0.059 0.000 0.966 308 D CA 0.724 54.752 54.000 0.048 0.000 0.864 308 D CB -0.579 40.246 40.800 0.042 0.000 0.933 308 D HN 0.272 nan 8.370 nan 0.000 0.499 309 V N 0.689 120.644 119.914 0.069 0.000 2.407 309 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 309 V C 2.722 178.851 176.094 0.059 0.000 1.041 309 V CA 0.857 63.209 62.300 0.087 0.000 1.040 309 V CB -0.424 31.484 31.823 0.141 0.000 0.671 309 V HN 0.185 nan 8.190 nan 0.000 0.455 310 L N -0.282 120.974 121.223 0.055 0.000 2.141 310 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 310 L C 2.559 179.447 176.870 0.031 0.000 1.094 310 L CA 1.671 56.532 54.840 0.036 0.000 0.763 310 L CB -0.892 41.190 42.059 0.038 0.000 0.908 310 L HN 0.350 nan 8.230 nan 0.000 0.437 311 T N -0.166 114.414 114.554 0.043 0.000 2.812 311 T HA -0.085 4.264 4.350 -0.000 0.000 0.264 311 T C 2.055 176.797 174.700 0.070 0.000 1.042 311 T CA 1.175 63.304 62.100 0.049 0.000 1.140 311 T CB -0.135 68.763 68.868 0.050 0.000 0.870 311 T HN 0.421 nan 8.240 nan 0.000 0.445 312 A N 1.364 124.234 122.820 0.084 0.000 1.902 312 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 312 A C 2.257 179.940 177.584 0.165 0.000 1.181 312 A CA 1.162 53.283 52.037 0.141 0.000 0.623 312 A CB -0.882 18.195 19.000 0.128 0.000 0.818 312 A HN 0.472 nan 8.150 nan 0.000 0.443 313 L N -0.739 120.516 121.223 0.052 0.000 2.127 313 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 313 L C 2.312 179.162 176.870 -0.034 0.000 1.089 313 L CA 1.589 56.413 54.840 -0.027 0.000 0.757 313 L CB -0.346 41.644 42.059 -0.115 0.000 0.899 313 L HN 0.334 nan 8.230 nan 0.000 0.434 314 K N -0.186 120.217 120.400 0.005 0.000 2.439 314 K HA -0.000 4.320 4.320 -0.000 0.000 0.197 314 K C 2.049 178.648 176.600 -0.001 0.000 1.041 314 K CA 0.738 57.024 56.287 -0.003 0.000 0.970 314 K CB -0.042 32.467 32.500 0.015 0.000 0.773 314 K HN 0.275 nan 8.250 nan 0.000 0.479 315 A N 1.499 124.354 122.820 0.058 0.000 2.016 315 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 315 A C 1.376 178.936 177.584 -0.039 0.000 1.162 315 A CA 0.689 52.799 52.037 0.122 0.000 0.662 315 A CB -0.065 19.136 19.000 0.335 0.000 0.812 315 A HN 0.227 nan 8.150 nan 0.000 0.450 316 A N 1.662 124.242 122.820 -0.400 0.000 2.797 316 A HA 0.406 4.725 4.320 -0.000 0.000 0.296 316 A C -0.048 177.260 177.584 -0.460 0.000 1.580 316 A CA -0.396 51.089 52.037 -0.921 0.000 1.277 316 A CB -0.274 17.903 19.000 -1.373 0.000 1.101 316 A HN 0.213 nan 8.150 nan 0.000 0.562 317 K N 2.587 122.800 120.400 -0.311 0.000 2.270 317 K HA 0.313 4.633 4.320 -0.000 0.000 0.276 317 K C -2.757 173.681 176.600 -0.270 0.000 1.023 317 K CA -2.133 54.024 56.287 -0.216 0.000 0.955 317 K CB 0.304 32.737 32.500 -0.112 0.000 0.975 317 K HN 0.290 nan 8.250 nan 0.000 0.471 318 P HA 0.088 nan 4.420 nan 0.000 0.269 318 P C -0.717 176.423 177.300 -0.267 0.000 1.215 318 P CA 0.052 62.892 63.100 -0.433 0.000 0.780 318 P CB 0.653 32.046 31.700 -0.511 0.000 0.898 319 S N 0.143 115.657 115.700 -0.311 0.000 2.542 319 S HA 0.520 4.990 4.470 -0.000 0.000 0.293 319 S C -0.553 173.836 174.600 -0.351 0.000 1.089 319 S CA -0.698 57.319 58.200 -0.306 0.000 0.961 319 S CB 1.237 64.188 63.200 -0.414 0.000 1.062 319 S HN 0.486 nan 8.310 nan 0.000 0.483 320 S N 1.166 116.739 115.700 -0.212 0.000 2.525 320 S HA 0.796 5.266 4.470 -0.000 0.000 0.278 320 S C -0.235 174.286 174.600 -0.133 0.000 1.234 320 S CA -0.556 57.568 58.200 -0.126 0.000 1.058 320 S CB 1.153 64.333 63.200 -0.032 0.000 0.983 320 S HN 0.603 nan 8.310 nan 0.000 0.495 321 S N 1.164 116.845 115.700 -0.032 0.000 2.552 321 S HA 0.812 5.282 4.470 -0.000 0.000 0.272 321 S C -0.583 174.242 174.600 0.374 0.000 1.150 321 S CA -0.134 58.151 58.200 0.142 0.000 0.849 321 S CB 1.190 64.381 63.200 -0.015 0.000 1.113 321 S HN 1.572 nan 8.310 nan 0.000 0.458 322 G N 2.025 111.102 108.800 0.461 0.000 2.608 322 G HA2 0.677 4.637 3.960 -0.000 0.000 0.291 322 G HA3 0.677 4.637 3.960 -0.000 0.000 0.291 322 G C -2.272 172.930 174.900 0.504 0.000 1.425 322 G CA -0.704 44.656 45.100 0.433 0.000 0.787 322 G HN 0.676 nan 8.290 nan 0.000 0.484 323 K N -0.747 119.828 120.400 0.292 0.000 2.512 323 K HA 0.692 5.012 4.320 -0.000 0.000 0.263 323 K C -1.709 174.649 176.600 -0.404 0.000 0.966 323 K CA -0.783 55.520 56.287 0.027 0.000 0.851 323 K CB 3.200 35.821 32.500 0.202 0.000 1.395 323 K HN 0.430 nan 8.250 nan 0.000 0.440 324 L N 0.280 120.959 121.223 -0.907 0.000 2.464 324 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 324 L C -1.019 175.409 176.870 -0.737 0.000 0.965 324 L CA -0.338 54.044 54.840 -0.764 0.000 0.833 324 L CB 2.006 43.414 42.059 -1.085 0.000 1.296 324 L HN 0.799 nan 8.230 nan 0.000 0.405 325 G N 5.478 113.878 108.800 -0.667 0.000 2.416 325 G HA2 0.634 4.593 3.960 -0.000 0.000 0.324 325 G HA3 0.634 4.593 3.960 -0.000 0.000 0.324 325 G C -1.049 173.749 174.900 -0.170 0.000 1.194 325 G CA -0.477 44.191 45.100 -0.720 0.000 0.922 325 G HN 0.517 nan 8.290 nan 0.000 0.467 326 I N 1.406 121.816 120.570 -0.267 0.000 2.378 326 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 326 I C 0.166 176.100 176.117 -0.305 0.000 0.992 326 I CA -0.604 60.550 61.300 -0.242 0.000 1.154 326 I CB 2.173 39.916 38.000 -0.427 0.000 1.315 326 I HN 0.468 nan 8.210 nan 0.000 0.448 327 E N 6.239 126.327 120.200 -0.187 0.000 2.194 327 E HA 0.245 4.595 4.350 -0.000 0.000 0.284 327 E C -1.549 174.931 176.600 -0.199 0.000 1.035 327 E CA -0.396 55.880 56.400 -0.207 0.000 0.836 327 E CB 0.738 30.378 29.700 -0.100 0.000 1.070 327 E HN 0.376 nan 8.360 nan 0.000 0.401 328 Y N 1.590 121.882 120.300 -0.014 0.000 2.361 328 Y HA 0.082 4.632 4.550 -0.000 0.000 0.332 328 Y C 1.386 177.288 175.900 0.004 0.000 1.101 328 Y CA -0.385 57.765 58.100 0.083 0.000 1.137 328 Y CB 1.941 40.581 38.460 0.299 0.000 1.207 328 Y HN 0.583 nan 8.280 nan 0.000 0.463 329 S N 1.717 117.511 115.700 0.158 0.000 2.671 329 S HA 0.227 4.697 4.470 -0.000 0.000 0.220 329 S C 0.314 174.930 174.600 0.027 0.000 0.951 329 S CA -0.358 57.867 58.200 0.042 0.000 0.932 329 S CB -0.143 63.073 63.200 0.026 0.000 0.777 329 S HN 0.701 nan 8.310 nan 0.000 0.508 330 R N 0.632 121.169 120.500 0.062 0.000 2.535 330 R HA 0.353 4.693 4.340 -0.000 0.000 0.274 330 R C -1.283 174.831 176.300 -0.310 0.000 1.090 330 R CA -0.605 55.460 56.100 -0.058 0.000 0.930 330 R CB 1.073 31.404 30.300 0.051 0.000 1.223 330 R HN 0.132 nan 8.270 nan 0.000 0.441 331 R N 5.167 125.281 120.500 -0.645 0.000 4.496 331 R HA 0.077 4.417 4.340 -0.000 0.000 0.211 331 R C 0.906 176.334 176.300 -1.452 0.000 1.738 331 R CA -0.188 54.957 56.100 -1.591 0.000 1.528 331 R CB 0.054 29.588 30.300 -1.276 0.000 1.414 331 R HN 0.659 nan 8.270 nan 0.000 0.812 332 W N 0.760 121.567 121.300 -0.821 0.000 2.374 332 W HA -0.218 4.442 4.660 0.000 0.000 0.288 332 W C 0.722 177.021 176.519 -0.367 0.000 1.218 332 W CA 0.473 57.569 57.345 -0.416 0.000 1.245 332 W CB -0.933 28.412 29.460 -0.193 0.000 1.126 332 W HN 0.476 nan 8.180 nan 0.000 0.545 333 W N 1.729 122.448 121.300 -0.968 0.000 2.363 333 W HA -0.006 4.653 4.660 -0.000 0.000 0.296 333 W C 1.825 177.976 176.519 -0.614 0.000 1.212 333 W CA 1.686 58.484 57.345 -0.912 0.000 1.260 333 W CB -1.255 27.255 29.460 -1.583 0.000 1.131 333 W HN -0.096 nan 8.180 nan 0.000 0.530 334 E N 0.610 120.176 120.200 -1.056 0.000 2.028 334 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 334 E C 2.446 178.766 176.600 -0.467 0.000 0.984 334 E CA 2.257 58.097 56.400 -0.934 0.000 0.800 334 E CB -0.471 28.442 29.700 -1.313 0.000 0.758 334 E HN 0.402 nan 8.360 nan 0.000 0.448 335 T N -0.824 113.488 114.554 -0.403 0.000 2.777 335 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 335 T C 1.719 176.378 174.700 -0.068 0.000 1.040 335 T CA 1.155 63.145 62.100 -0.183 0.000 1.141 335 T CB -0.107 68.662 68.868 -0.166 0.000 0.868 335 T HN 0.080 nan 8.240 nan 0.000 0.444 336 E N 0.729 120.915 120.200 -0.024 0.000 2.110 336 E HA 0.015 4.364 4.350 -0.000 0.000 0.193 336 E C 1.732 178.388 176.600 0.094 0.000 0.950 336 E CA 0.723 57.163 56.400 0.067 0.000 0.840 336 E CB 0.148 29.933 29.700 0.140 0.000 0.809 336 E HN 0.403 nan 8.360 nan 0.000 0.465 337 D N 0.206 120.668 120.400 0.104 0.000 2.349 337 D HA 0.011 4.651 4.640 -0.000 0.000 0.215 337 D C -0.036 176.303 176.300 0.065 0.000 1.016 337 D CA 0.202 54.278 54.000 0.127 0.000 0.870 337 D CB 0.320 41.195 40.800 0.126 0.000 0.917 337 D HN -0.048 nan 8.370 nan 0.000 0.524 338 R N 0.090 120.598 120.500 0.013 0.000 3.422 338 R HA -0.184 4.156 4.340 -0.000 0.000 0.267 338 R C -0.453 175.897 176.300 0.083 0.000 1.074 338 R CA 0.299 56.446 56.100 0.078 0.000 0.718 338 R CB -2.902 27.466 30.300 0.114 0.000 1.157 338 R HN 0.329 nan 8.270 nan 0.000 0.440 339 I N 1.056 121.572 120.570 -0.089 0.000 2.330 339 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 339 I C 0.001 176.045 176.117 -0.122 0.000 1.001 339 I CA -0.623 60.599 61.300 -0.130 0.000 1.193 339 I CB 0.856 38.577 38.000 -0.465 0.000 1.345 339 I HN -0.011 nan 8.210 nan 0.000 0.461 340 Y N 5.120 125.382 120.300 -0.062 0.000 2.575 340 Y HA 0.558 5.108 4.550 -0.000 0.000 0.326 340 Y C 0.925 176.871 175.900 0.077 0.000 0.979 340 Y CA -0.359 57.739 58.100 -0.003 0.000 1.286 340 Y CB 1.457 39.766 38.460 -0.252 0.000 1.093 340 Y HN 0.820 nan 8.280 nan 0.000 0.501 341 G N 1.526 110.514 108.800 0.314 0.000 2.796 341 G HA2 0.270 4.230 3.960 -0.000 0.000 0.226 341 G HA3 0.270 4.230 3.960 -0.000 0.000 0.226 341 G C 0.108 175.097 174.900 0.149 0.000 1.381 341 G CA -0.234 44.999 45.100 0.223 0.000 0.867 341 G HN 1.601 nan 8.290 nan 0.000 0.552 342 G N -1.843 106.996 108.800 0.065 0.000 2.760 342 G HA2 0.507 4.467 3.960 -0.000 0.000 0.246 342 G HA3 0.507 4.467 3.960 -0.000 0.000 0.246 342 G C 0.107 175.127 174.900 0.200 0.000 1.359 342 G CA 0.902 46.063 45.100 0.102 0.000 0.861 342 G HN 2.927 nan 8.290 nan 0.000 0.541 343 A N -0.757 122.196 122.820 0.221 0.000 2.449 343 A HA 0.893 5.213 4.320 -0.000 0.000 0.302 343 A C 0.076 177.861 177.584 0.335 0.000 1.048 343 A CA 0.647 52.820 52.037 0.227 0.000 0.708 343 A CB 1.718 20.808 19.000 0.150 0.000 1.274 343 A HN 1.878 nan 8.150 nan 0.000 0.410 344 S N 1.475 117.381 115.700 0.343 0.000 2.586 344 S HA 0.392 4.862 4.470 -0.000 0.000 0.274 344 S C 0.019 174.750 174.600 0.219 0.000 1.281 344 S CA -0.635 57.773 58.200 0.347 0.000 1.035 344 S CB 0.600 64.070 63.200 0.451 0.000 0.962 344 S HN 0.711 nan 8.310 nan 0.000 0.512 345 N N 0.758 119.551 118.700 0.155 0.000 2.269 345 N HA 0.509 5.249 4.740 -0.000 0.000 0.304 345 N C -1.323 174.178 175.510 -0.015 0.000 1.072 345 N CA -0.106 53.011 53.050 0.110 0.000 0.802 345 N CB 2.055 40.669 38.487 0.211 0.000 1.348 345 N HN 0.571 nan 8.380 nan 0.000 0.484 346 T N -0.004 114.597 114.554 0.078 0.000 2.853 346 T HA 0.155 4.505 4.350 -0.000 0.000 0.311 346 T C -0.302 174.524 174.700 0.210 0.000 1.307 346 T CA -0.526 61.605 62.100 0.051 0.000 1.019 346 T CB 0.946 69.810 68.868 -0.006 0.000 1.264 346 T HN 0.617 nan 8.240 nan 0.000 0.497 347 D N 1.305 121.865 120.400 0.268 0.000 2.349 347 D HA 0.096 4.736 4.640 -0.000 0.000 0.215 347 D C 0.414 176.767 176.300 0.088 0.000 1.016 347 D CA 0.188 54.291 54.000 0.172 0.000 0.870 347 D CB -0.048 40.849 40.800 0.162 0.000 0.917 347 D HN 0.449 nan 8.370 nan 0.000 0.524 348 K N 0.798 121.242 120.400 0.073 0.000 2.397 348 K HA -0.011 4.309 4.320 -0.000 0.000 0.265 348 K C 0.614 177.251 176.600 0.063 0.000 0.982 348 K CA -0.168 56.148 56.287 0.048 0.000 0.931 348 K CB 0.599 33.124 32.500 0.041 0.000 0.943 348 K HN -0.177 nan 8.250 nan 0.000 0.501 349 D N 1.405 121.829 120.400 0.040 0.000 2.158 349 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 349 D C 1.711 178.150 176.300 0.231 0.000 0.995 349 D CA 1.398 55.435 54.000 0.062 0.000 0.846 349 D CB -0.294 40.428 40.800 -0.129 0.000 0.941 349 D HN 0.595 nan 8.370 nan 0.000 0.456 350 I N -2.016 118.708 120.570 0.256 0.000 2.423 350 I HA -0.246 3.924 4.170 -0.000 0.000 0.254 350 I C 1.250 177.473 176.117 0.176 0.000 1.151 350 I CA 0.947 62.397 61.300 0.249 0.000 1.421 350 I CB -0.123 38.023 38.000 0.244 0.000 1.079 350 I HN -0.179 nan 8.210 nan 0.000 0.431 351 S N 0.280 116.059 115.700 0.131 0.000 1.619 351 S HA -0.319 4.151 4.470 -0.000 0.000 0.235 351 S C 0.439 175.092 174.600 0.088 0.000 0.805 351 S CA 1.891 60.148 58.200 0.095 0.000 1.403 351 S CB -1.142 62.096 63.200 0.064 0.000 1.782 351 S HN 0.967 nan 8.310 nan 0.000 0.524 352 Q N -0.305 119.557 119.800 0.102 0.000 2.472 352 Q HA 0.778 5.118 4.340 -0.000 0.000 0.281 352 Q C -1.764 174.282 176.000 0.077 0.000 0.997 352 Q CA -0.953 54.905 55.803 0.092 0.000 0.828 352 Q CB 1.534 30.318 28.738 0.077 0.000 1.443 352 Q HN 0.450 nan 8.270 nan 0.000 0.390 353 I N 2.169 122.748 120.570 0.013 0.000 2.389 353 I HA 0.402 4.572 4.170 -0.000 0.000 0.288 353 I C -0.651 175.230 176.117 -0.394 0.000 0.999 353 I CA -0.788 60.406 61.300 -0.177 0.000 1.129 353 I CB 1.657 39.555 38.000 -0.169 0.000 1.288 353 I HN 0.530 nan 8.210 nan 0.000 0.444 354 M N 6.312 125.648 119.600 -0.439 0.000 2.167 354 M HA 0.484 4.964 4.480 -0.000 0.000 0.333 354 M C -1.077 174.841 176.300 -0.637 0.000 1.030 354 M CA -0.429 54.666 55.300 -0.342 0.000 0.963 354 M CB 1.341 33.924 32.600 -0.028 0.000 1.589 354 M HN 0.254 nan 8.290 nan 0.000 0.431 355 F N 3.784 123.560 119.950 -0.289 0.000 2.379 355 F HA 0.531 5.058 4.527 -0.000 0.000 0.332 355 F C -1.740 173.849 175.800 -0.352 0.000 1.096 355 F CA -2.078 55.605 58.000 -0.529 0.000 1.105 355 F CB 0.393 39.058 39.000 -0.559 0.000 1.189 355 F HN 0.347 nan 8.300 nan 0.000 0.515 356 P HA 0.020 nan 4.420 nan 0.000 0.272 356 P C -0.680 176.506 177.300 -0.191 0.000 1.230 356 P CA -0.046 62.846 63.100 -0.347 0.000 0.788 356 P CB 0.430 31.905 31.700 -0.375 0.000 0.949 357 Y N -1.158 119.037 120.300 -0.175 0.000 2.507 357 Y HA 0.369 4.919 4.550 -0.000 0.000 0.254 357 Y C -0.085 175.463 175.900 -0.587 0.000 1.171 357 Y CA -0.993 56.980 58.100 -0.212 0.000 1.238 357 Y CB -0.326 38.054 38.460 -0.133 0.000 1.148 357 Y HN 0.167 nan 8.280 nan 0.000 0.525 358 D N -2.393 117.584 120.400 -0.706 0.000 2.592 358 D HA 0.188 4.828 4.640 -0.000 0.000 0.263 358 D C 0.012 176.017 176.300 -0.493 0.000 1.132 358 D CA -0.846 52.772 54.000 -0.636 0.000 0.996 358 D CB 0.324 40.890 40.800 -0.391 0.000 1.442 358 D HN 0.199 nan 8.370 nan 0.000 0.486 359 H N -1.513 117.360 119.070 -0.328 0.000 2.820 359 H HA -0.200 4.356 4.556 -0.000 0.000 0.295 359 H C -0.540 174.760 175.328 -0.047 0.000 1.187 359 H CA 0.592 56.549 56.048 -0.152 0.000 1.144 359 H CB -2.072 27.617 29.762 -0.122 0.000 1.354 359 H HN 0.364 nan 8.280 nan 0.000 0.395 360 Y N 1.239 121.611 120.300 0.120 0.000 2.810 360 Y HA -0.107 4.442 4.550 -0.000 0.000 0.332 360 Y C 1.674 177.643 175.900 0.114 0.000 1.243 360 Y CA 0.604 58.793 58.100 0.148 0.000 1.537 360 Y CB 0.185 38.781 38.460 0.226 0.000 1.265 360 Y HN 0.290 nan 8.280 nan 0.000 0.572 361 N N -0.486 118.351 118.700 0.227 0.000 2.828 361 N HA -0.239 4.501 4.740 -0.000 0.000 0.248 361 N C 0.225 175.760 175.510 0.042 0.000 1.044 361 N CA 1.054 54.167 53.050 0.104 0.000 0.851 361 N CB -1.041 37.538 38.487 0.153 0.000 1.136 361 N HN 0.514 nan 8.380 nan 0.000 0.572 362 S N 0.112 115.839 115.700 0.046 0.000 2.632 362 S HA 0.210 4.680 4.470 -0.000 0.000 0.267 362 S C 1.136 175.709 174.600 -0.044 0.000 1.193 362 S CA 0.305 58.529 58.200 0.039 0.000 1.003 362 S CB 0.634 63.907 63.200 0.121 0.000 1.073 362 S HN 0.328 nan 8.310 nan 0.000 0.553 363 D N -0.264 120.112 120.400 -0.041 0.000 2.350 363 D HA 0.083 4.723 4.640 -0.000 0.000 0.213 363 D C 0.541 176.768 176.300 -0.122 0.000 1.031 363 D CA 0.055 54.006 54.000 -0.081 0.000 0.861 363 D CB -0.068 40.702 40.800 -0.051 0.000 0.926 363 D HN 0.583 nan 8.370 nan 0.000 0.520 364 R N -1.997 118.419 120.500 -0.140 0.000 2.733 364 R HA 0.676 5.016 4.340 -0.000 0.000 0.272 364 R C -0.877 175.330 176.300 -0.156 0.000 1.029 364 R CA -0.968 55.021 56.100 -0.184 0.000 0.888 364 R CB 1.172 31.293 30.300 -0.300 0.000 1.251 364 R HN -0.017 nan 8.270 nan 0.000 0.464 365 G N 0.220 108.980 108.800 -0.067 0.000 2.489 365 G HA2 0.413 4.373 3.960 -0.000 0.000 0.291 365 G HA3 0.413 4.373 3.960 -0.000 0.000 0.291 365 G C -1.834 173.047 174.900 -0.032 0.000 1.487 365 G CA -0.681 44.443 45.100 0.040 0.000 0.795 365 G HN 0.353 nan 8.290 nan 0.000 0.513 366 V N 0.449 120.214 119.914 -0.247 0.000 2.407 366 V HA 0.550 4.670 4.120 -0.000 0.000 0.278 366 V C 0.135 175.921 176.094 -0.512 0.000 1.037 366 V CA -0.618 61.404 62.300 -0.462 0.000 0.900 366 V CB 1.297 32.674 31.823 -0.744 0.000 0.983 366 V HN 0.591 nan 8.190 nan 0.000 0.459 367 V N 5.532 125.136 119.914 -0.517 0.000 2.435 367 V HA 0.311 4.431 4.120 -0.000 0.000 0.290 367 V C 0.102 175.867 176.094 -0.548 0.000 1.030 367 V CA -0.671 61.242 62.300 -0.646 0.000 0.881 367 V CB 2.009 33.439 31.823 -0.654 0.000 0.983 367 V HN 0.617 nan 8.190 nan 0.000 0.445 368 V N 5.309 124.894 119.914 -0.550 0.000 2.352 368 V HA 0.150 4.270 4.120 -0.000 0.000 0.253 368 V C 1.378 177.262 176.094 -0.349 0.000 1.083 368 V CA 0.630 62.637 62.300 -0.489 0.000 0.993 368 V CB 0.376 32.011 31.823 -0.314 0.000 1.111 368 V HN 1.080 nan 8.190 nan 0.000 0.490 369 A N 5.369 128.006 122.820 -0.305 0.000 2.066 369 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 369 A C 0.695 178.299 177.584 0.033 0.000 1.157 369 A CA 1.138 53.140 52.037 -0.058 0.000 0.670 369 A CB -0.125 18.883 19.000 0.013 0.000 0.804 369 A HN 1.003 nan 8.150 nan 0.000 0.453 370 Y N -5.046 115.190 120.300 -0.107 0.000 2.552 370 Y HA 0.598 5.147 4.550 -0.000 0.000 0.337 370 Y C -1.348 174.579 175.900 0.045 0.000 1.094 370 Y CA -2.568 55.489 58.100 -0.073 0.000 1.028 370 Y CB 0.560 38.879 38.460 -0.236 0.000 1.321 370 Y HN 0.102 nan 8.280 nan 0.000 0.456 371 Y N 3.321 123.757 120.300 0.226 0.000 2.445 371 Y HA 0.701 5.251 4.550 -0.000 0.000 0.332 371 Y C -1.369 174.676 175.900 0.241 0.000 1.037 371 Y CA -1.244 57.000 58.100 0.241 0.000 1.296 371 Y CB 1.101 39.672 38.460 0.185 0.000 1.099 371 Y HN 0.905 nan 8.280 nan 0.000 0.496 372 S N 2.812 118.698 115.700 0.311 0.000 2.599 372 S HA 0.974 5.444 4.470 -0.000 0.000 0.294 372 S C -0.951 173.739 174.600 0.150 0.000 1.094 372 S CA -0.681 57.583 58.200 0.107 0.000 0.931 372 S CB 2.258 65.530 63.200 0.120 0.000 1.093 372 S HN 0.418 nan 8.310 nan 0.000 0.488 373 S N -0.178 115.584 115.700 0.104 0.000 2.588 373 S HA 0.915 5.385 4.470 -0.000 0.000 0.275 373 S C 0.553 175.220 174.600 0.113 0.000 1.130 373 S CA -0.083 58.206 58.200 0.147 0.000 0.855 373 S CB 1.014 64.369 63.200 0.258 0.000 1.116 373 S HN 2.039 nan 8.310 nan 0.000 0.472 374 G N 2.381 111.238 108.800 0.094 0.000 2.556 374 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.283 374 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.283 374 G C 0.806 175.734 174.900 0.046 0.000 1.177 374 G CA 0.899 46.041 45.100 0.069 0.000 0.978 374 G HN 0.792 nan 8.290 nan 0.000 0.554 375 K N 0.630 121.051 120.400 0.035 0.000 2.063 375 K HA -0.056 4.264 4.320 -0.000 0.000 0.208 375 K C 2.520 179.125 176.600 0.008 0.000 1.048 375 K CA 1.847 58.142 56.287 0.013 0.000 0.928 375 K CB -0.198 32.306 32.500 0.007 0.000 0.713 375 K HN 0.472 nan 8.250 nan 0.000 0.442 376 R N -0.259 120.260 120.500 0.031 0.000 2.313 376 R HA -0.048 4.292 4.340 -0.000 0.000 0.199 376 R C 1.838 178.207 176.300 0.115 0.000 0.958 376 R CA 0.503 56.627 56.100 0.040 0.000 1.047 376 R CB 0.162 30.497 30.300 0.059 0.000 0.955 376 R HN 0.220 nan 8.270 nan 0.000 0.481 377 Q N 0.951 120.820 119.800 0.114 0.000 2.394 377 Q HA 0.003 4.343 4.340 -0.000 0.000 0.218 377 Q C 1.181 177.251 176.000 0.116 0.000 0.907 377 Q CA 1.027 56.932 55.803 0.171 0.000 0.919 377 Q CB 0.478 29.305 28.738 0.148 0.000 1.051 377 Q HN 0.215 nan 8.270 nan 0.000 0.538 378 E N 0.115 120.342 120.200 0.044 0.000 2.171 378 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 378 E C 1.601 178.177 176.600 -0.040 0.000 0.997 378 E CA 1.150 57.553 56.400 0.004 0.000 0.810 378 E CB -0.178 29.514 29.700 -0.014 0.000 0.738 378 E HN 0.483 nan 8.360 nan 0.000 0.467 379 A N -0.154 122.602 122.820 -0.106 0.000 2.121 379 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 379 A C 1.503 178.828 177.584 -0.433 0.000 1.154 379 A CA 0.945 52.812 52.037 -0.284 0.000 0.679 379 A CB -0.238 18.521 19.000 -0.401 0.000 0.795 379 A HN 0.179 nan 8.150 nan 0.000 0.458 380 F N -1.458 118.420 119.950 -0.119 0.000 2.602 380 F HA 0.181 4.708 4.527 -0.000 0.000 0.284 380 F C 2.029 177.806 175.800 -0.038 0.000 1.111 380 F CA 0.422 58.355 58.000 -0.111 0.000 1.405 380 F CB -0.242 38.618 39.000 -0.234 0.000 1.121 380 F HN 0.180 nan 8.300 nan 0.000 0.603 381 E N 0.355 120.646 120.200 0.151 0.000 2.108 381 E HA -0.227 4.123 4.350 -0.000 0.000 0.203 381 E C 1.733 178.367 176.600 0.057 0.000 1.022 381 E CA 1.912 58.368 56.400 0.094 0.000 0.823 381 E CB -0.102 29.630 29.700 0.054 0.000 0.744 381 E HN 0.202 nan 8.360 nan 0.000 0.456 382 S N -0.247 115.470 115.700 0.029 0.000 2.558 382 S HA 0.129 4.599 4.470 -0.000 0.000 0.217 382 S C 0.542 175.150 174.600 0.013 0.000 0.975 382 S CA -0.166 58.039 58.200 0.010 0.000 0.912 382 S CB 0.195 63.389 63.200 -0.010 0.000 0.776 382 S HN 0.114 nan 8.310 nan 0.000 0.526 383 L N 2.500 123.741 121.223 0.030 0.000 2.436 383 L HA 0.247 4.587 4.340 -0.000 0.000 0.265 383 L C 1.183 178.082 176.870 0.049 0.000 1.168 383 L CA -0.663 54.197 54.840 0.032 0.000 0.815 383 L CB 0.334 42.421 42.059 0.047 0.000 1.109 383 L HN 0.162 nan 8.230 nan 0.000 0.462 384 T N -3.092 111.482 114.554 0.034 0.000 2.802 384 T HA -0.049 4.301 4.350 -0.000 0.000 0.305 384 T C 1.023 175.754 174.700 0.053 0.000 1.053 384 T CA -0.079 62.046 62.100 0.042 0.000 1.058 384 T CB 0.619 69.504 68.868 0.029 0.000 0.988 384 T HN 0.686 nan 8.240 nan 0.000 0.539 385 H N 0.898 119.967 119.070 -0.001 0.000 2.387 385 H HA -0.011 4.545 4.556 -0.000 0.000 0.299 385 H C 2.361 177.700 175.328 0.018 0.000 1.090 385 H CA 1.829 57.871 56.048 -0.010 0.000 1.332 385 H CB -0.039 29.677 29.762 -0.076 0.000 1.386 385 H HN 0.642 nan 8.280 nan 0.000 0.516 386 R N -0.156 120.276 120.500 -0.114 0.000 2.096 386 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 386 R C 2.512 178.756 176.300 -0.093 0.000 1.127 386 R CA 1.848 57.881 56.100 -0.113 0.000 0.968 386 R CB -0.104 30.188 30.300 -0.013 0.000 0.861 386 R HN 0.559 nan 8.270 nan 0.000 0.440 387 Q N -0.176 119.598 119.800 -0.042 0.000 2.079 387 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 387 Q C 2.134 178.159 176.000 0.040 0.000 0.974 387 Q CA 1.184 56.985 55.803 -0.004 0.000 0.840 387 Q CB 0.010 28.750 28.738 0.005 0.000 0.898 387 Q HN 0.283 nan 8.270 nan 0.000 0.430 388 R N 0.292 120.830 120.500 0.063 0.000 2.083 388 R HA -0.182 4.157 4.340 -0.000 0.000 0.237 388 R C 2.320 178.731 176.300 0.186 0.000 1.137 388 R CA 1.322 57.571 56.100 0.249 0.000 0.951 388 R CB -0.543 29.899 30.300 0.236 0.000 0.851 388 R HN 0.166 nan 8.270 nan 0.000 0.434 389 L N 0.854 122.026 121.223 -0.085 0.000 2.012 389 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 389 L C 2.288 179.185 176.870 0.044 0.000 1.073 389 L CA 2.123 56.917 54.840 -0.076 0.000 0.748 389 L CB -0.742 41.180 42.059 -0.229 0.000 0.891 389 L HN 0.179 nan 8.230 nan 0.000 0.431 390 A N -0.635 122.202 122.820 0.029 0.000 1.908 390 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 390 A C 2.477 180.120 177.584 0.099 0.000 1.181 390 A CA 2.128 54.197 52.037 0.054 0.000 0.627 390 A CB -0.661 18.355 19.000 0.026 0.000 0.818 390 A HN 0.548 nan 8.150 nan 0.000 0.445 391 K N -0.449 120.029 120.400 0.131 0.000 2.062 391 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 391 K C 2.135 178.891 176.600 0.260 0.000 1.051 391 K CA 1.109 57.488 56.287 0.153 0.000 0.941 391 K CB -0.326 32.238 32.500 0.106 0.000 0.719 391 K HN 0.337 nan 8.250 nan 0.000 0.440 392 A N 1.270 124.312 122.820 0.370 0.000 1.933 392 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 392 A C 2.050 179.834 177.584 0.334 0.000 1.175 392 A CA 1.383 53.651 52.037 0.384 0.000 0.628 392 A CB -0.517 18.706 19.000 0.372 0.000 0.814 392 A HN 0.350 nan 8.150 nan 0.000 0.444 393 I N -0.464 120.281 120.570 0.291 0.000 2.353 393 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 393 I C 2.942 179.210 176.117 0.253 0.000 1.119 393 I CA 0.882 62.394 61.300 0.354 0.000 1.417 393 I CB -0.308 37.821 38.000 0.216 0.000 1.078 393 I HN 0.350 nan 8.210 nan 0.000 0.421 394 A N 0.642 123.555 122.820 0.156 0.000 1.877 394 A HA -0.214 4.105 4.320 -0.000 0.000 0.216 394 A C 2.221 179.838 177.584 0.055 0.000 1.186 394 A CA 1.680 53.771 52.037 0.091 0.000 0.620 394 A CB -0.543 18.494 19.000 0.063 0.000 0.822 394 A HN 0.426 nan 8.150 nan 0.000 0.443 395 E N -0.823 119.416 120.200 0.066 0.000 2.107 395 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 395 E C 2.116 178.676 176.600 -0.066 0.000 0.982 395 E CA 0.630 57.045 56.400 0.026 0.000 0.809 395 E CB -0.317 29.430 29.700 0.078 0.000 0.756 395 E HN 0.608 nan 8.360 nan 0.000 0.459 396 G N 1.327 110.025 108.800 -0.170 0.000 2.408 396 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 396 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 396 G C 1.722 176.222 174.900 -0.668 0.000 1.150 396 G CA 1.078 45.742 45.100 -0.726 0.000 0.776 396 G HN 0.373 nan 8.290 nan 0.000 0.542 397 S N 0.536 116.088 115.700 -0.246 0.000 2.423 397 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 397 S C 1.868 176.442 174.600 -0.044 0.000 1.014 397 S CA 1.453 59.627 58.200 -0.042 0.000 0.965 397 S CB -0.228 63.017 63.200 0.075 0.000 0.785 397 S HN 0.549 nan 8.310 nan 0.000 0.495 398 E N 0.555 120.721 120.200 -0.058 0.000 2.347 398 E HA 0.109 4.459 4.350 -0.000 0.000 0.196 398 E C 1.589 178.154 176.600 -0.059 0.000 1.008 398 E CA 0.955 57.328 56.400 -0.046 0.000 0.852 398 E CB -0.140 29.538 29.700 -0.037 0.000 0.783 398 E HN 0.661 nan 8.360 nan 0.000 0.505 399 I N -0.668 119.861 120.570 -0.070 0.000 2.947 399 I HA -0.048 4.121 4.170 -0.000 0.000 0.263 399 I C 1.703 177.787 176.117 -0.055 0.000 1.130 399 I CA 0.439 61.702 61.300 -0.061 0.000 1.448 399 I CB 0.241 38.229 38.000 -0.021 0.000 1.222 399 I HN 0.124 nan 8.210 nan 0.000 0.453 400 H N 0.758 119.881 119.070 0.089 0.000 2.755 400 H HA 0.346 4.902 4.556 -0.000 0.000 0.273 400 H C 0.756 176.115 175.328 0.050 0.000 1.055 400 H CA 0.809 56.970 56.048 0.190 0.000 1.191 400 H CB 0.862 30.765 29.762 0.235 0.000 1.536 400 H HN 0.373 nan 8.280 nan 0.000 0.529 401 G N 1.259 110.100 108.800 0.068 0.000 2.685 401 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.387 401 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.387 401 G C 0.583 175.483 174.900 0.001 0.000 1.324 401 G CA -0.223 44.890 45.100 0.022 0.000 0.878 401 G HN 0.179 nan 8.290 nan 0.000 0.527 402 E N 0.428 120.619 120.200 -0.014 0.000 2.265 402 E HA -0.122 4.227 4.350 -0.000 0.000 0.196 402 E C 2.475 179.035 176.600 -0.067 0.000 0.996 402 E CA 1.566 57.957 56.400 -0.014 0.000 0.832 402 E CB -0.252 29.442 29.700 -0.010 0.000 0.756 402 E HN 0.788 nan 8.360 nan 0.000 0.491 403 K N -0.300 120.000 120.400 -0.168 0.000 2.280 403 K HA -0.177 4.143 4.320 -0.000 0.000 0.202 403 K C 1.936 178.189 176.600 -0.578 0.000 1.047 403 K CA 1.029 57.099 56.287 -0.362 0.000 0.942 403 K CB -0.512 31.704 32.500 -0.472 0.000 0.739 403 K HN 0.050 nan 8.250 nan 0.000 0.457 404 Y N 3.168 123.130 120.300 -0.562 0.000 2.403 404 Y HA -0.175 4.375 4.550 -0.000 0.000 0.291 404 Y C 2.273 178.216 175.900 0.072 0.000 1.143 404 Y CA 1.797 59.706 58.100 -0.319 0.000 1.257 404 Y CB -0.036 38.366 38.460 -0.096 0.000 0.984 404 Y HN 0.389 nan 8.280 nan 0.000 0.550 405 T N -2.331 112.283 114.554 0.101 0.000 3.060 405 T HA 0.236 4.585 4.350 -0.000 0.000 0.249 405 T C 0.689 175.436 174.700 0.078 0.000 1.079 405 T CA -0.268 61.896 62.100 0.106 0.000 1.013 405 T CB 0.021 68.940 68.868 0.085 0.000 0.975 405 T HN 0.014 nan 8.240 nan 0.000 0.518 406 R N 1.277 121.822 120.500 0.075 0.000 2.720 406 R HA 0.400 4.740 4.340 -0.000 0.000 0.272 406 R C -0.523 175.890 176.300 0.189 0.000 0.991 406 R CA -0.576 55.572 56.100 0.080 0.000 1.010 406 R CB 0.644 30.960 30.300 0.027 0.000 1.141 406 R HN 0.171 nan 8.270 nan 0.000 0.494 407 D N 0.857 121.344 120.400 0.144 0.000 2.800 407 D HA -0.178 4.462 4.640 -0.000 0.000 0.232 407 D C -0.480 175.925 176.300 0.176 0.000 1.137 407 D CA 0.927 55.038 54.000 0.184 0.000 0.718 407 D CB -0.969 39.988 40.800 0.262 0.000 1.084 407 D HN 0.429 nan 8.370 nan 0.000 0.432 408 I N 0.819 121.400 120.570 0.018 0.000 2.352 408 I HA 0.035 4.205 4.170 -0.000 0.000 0.290 408 I C 1.578 177.640 176.117 -0.092 0.000 1.036 408 I CA -0.100 61.090 61.300 -0.183 0.000 1.336 408 I CB 1.501 39.365 38.000 -0.228 0.000 1.407 408 I HN -0.164 nan 8.210 nan 0.000 0.497 409 S N 3.226 118.868 115.700 -0.096 0.000 2.398 409 S HA 0.101 4.571 4.470 -0.000 0.000 0.220 409 S C 0.527 175.120 174.600 -0.011 0.000 1.046 409 S CA 0.423 58.604 58.200 -0.033 0.000 0.953 409 S CB 0.254 63.443 63.200 -0.019 0.000 0.856 409 S HN 0.841 nan 8.310 nan 0.000 0.506 410 S N 0.132 115.837 115.700 0.009 0.000 2.661 410 S HA 0.729 5.199 4.470 -0.000 0.000 0.268 410 S C -1.120 173.554 174.600 0.123 0.000 1.162 410 S CA -0.324 57.912 58.200 0.060 0.000 0.817 410 S CB 1.595 64.838 63.200 0.071 0.000 1.141 410 S HN 0.607 nan 8.310 nan 0.000 0.477 411 S N -0.025 115.762 115.700 0.146 0.000 2.588 411 S HA 0.849 5.318 4.470 -0.000 0.000 0.269 411 S C -1.702 172.992 174.600 0.156 0.000 1.157 411 S CA -0.853 57.483 58.200 0.226 0.000 0.824 411 S CB 1.374 64.692 63.200 0.197 0.000 1.126 411 S HN 1.737 nan 8.310 nan 0.000 0.464 412 F N 1.410 121.371 119.950 0.017 0.000 2.639 412 F HA 0.632 5.159 4.527 -0.000 0.000 0.320 412 F C -0.846 174.963 175.800 0.015 0.000 1.128 412 F CA 0.142 58.029 58.000 -0.187 0.000 1.037 412 F CB 1.859 40.678 39.000 -0.303 0.000 1.288 412 F HN 1.100 nan 8.300 nan 0.000 0.463 413 S N 3.453 118.818 115.700 -0.557 0.000 2.568 413 S HA 0.988 5.458 4.470 -0.000 0.000 0.293 413 S C -0.664 173.694 174.600 -0.404 0.000 1.089 413 S CA -0.431 57.625 58.200 -0.240 0.000 0.945 413 S CB 1.947 65.167 63.200 0.033 0.000 1.077 413 S HN 1.176 nan 8.310 nan 0.000 0.485 414 G N -0.113 108.578 108.800 -0.182 0.000 2.591 414 G HA2 0.595 4.555 3.960 -0.000 0.000 0.306 414 G HA3 0.595 4.555 3.960 -0.000 0.000 0.306 414 G C -1.340 173.456 174.900 -0.173 0.000 1.334 414 G CA -0.713 44.257 45.100 -0.218 0.000 0.981 414 G HN 0.827 nan 8.290 nan 0.000 0.491 415 S N 0.880 116.463 115.700 -0.195 0.000 2.707 415 S HA 0.293 4.763 4.470 -0.000 0.000 0.312 415 S C 0.256 174.785 174.600 -0.119 0.000 1.116 415 S CA -0.737 57.419 58.200 -0.073 0.000 1.078 415 S CB 0.389 63.609 63.200 0.033 0.000 0.997 415 S HN 0.593 nan 8.310 nan 0.000 0.477 416 W N 3.396 124.734 121.300 0.062 0.000 2.392 416 W HA 0.057 4.717 4.660 -0.000 0.000 0.279 416 W C 2.381 178.884 176.519 -0.026 0.000 1.225 416 W CA 0.407 57.765 57.345 0.023 0.000 1.233 416 W CB 0.004 29.446 29.460 -0.029 0.000 1.122 416 W HN 0.595 nan 8.180 nan 0.000 0.561 417 R N 0.444 121.021 120.500 0.128 0.000 2.189 417 R HA -0.026 4.314 4.340 -0.000 0.000 0.218 417 R C 1.567 177.882 176.300 0.026 0.000 1.074 417 R CA 0.793 56.919 56.100 0.043 0.000 0.991 417 R CB 0.016 30.309 30.300 -0.011 0.000 0.883 417 R HN -0.093 nan 8.270 nan 0.000 0.457 418 R N -0.210 120.297 120.500 0.011 0.000 2.426 418 R HA 0.127 4.467 4.340 -0.000 0.000 0.263 418 R C -0.387 175.884 176.300 -0.049 0.000 0.961 418 R CA 0.218 56.306 56.100 -0.020 0.000 1.086 418 R CB 0.908 31.195 30.300 -0.022 0.000 1.186 418 R HN -0.023 nan 8.270 nan 0.000 0.537 419 T N 1.521 116.057 114.554 -0.030 0.000 2.756 419 T HA 0.182 4.532 4.350 -0.000 0.000 0.290 419 T C 0.082 174.745 174.700 -0.062 0.000 0.985 419 T CA -0.461 61.594 62.100 -0.076 0.000 0.955 419 T CB 2.056 70.851 68.868 -0.122 0.000 0.930 419 T HN -0.021 nan 8.240 nan 0.000 0.451 420 K N 2.614 122.913 120.400 -0.169 0.000 2.511 420 K HA -0.033 4.287 4.320 -0.000 0.000 0.280 420 K C -0.263 176.186 176.600 -0.252 0.000 1.008 420 K CA 0.360 56.441 56.287 -0.342 0.000 1.050 420 K CB 0.012 32.184 32.500 -0.546 0.000 0.889 420 K HN 0.686 nan 8.250 nan 0.000 0.484 421 Y N 0.388 120.681 120.300 -0.011 0.000 4.841 421 Y HA -0.330 4.220 4.550 -0.000 0.000 0.242 421 Y C 0.798 176.705 175.900 0.012 0.000 1.002 421 Y CA 0.978 59.066 58.100 -0.020 0.000 2.011 421 Y CB -2.223 36.216 38.460 -0.036 0.000 1.554 421 Y HN 0.621 nan 8.280 nan 0.000 0.618 422 S N -1.690 114.111 115.700 0.169 0.000 3.526 422 S HA 0.119 4.589 4.470 -0.000 0.000 0.222 422 S C 0.723 175.465 174.600 0.237 0.000 1.001 422 S CA 0.074 58.400 58.200 0.209 0.000 0.831 422 S CB 0.569 64.001 63.200 0.387 0.000 0.941 422 S HN 0.396 nan 8.310 nan 0.000 0.585 423 E N 1.140 121.462 120.200 0.203 0.000 2.539 423 E HA -0.165 4.185 4.350 -0.000 0.000 0.253 423 E C -0.506 176.157 176.600 0.104 0.000 1.145 423 E CA 0.688 57.191 56.400 0.171 0.000 0.738 423 E CB -1.285 28.531 29.700 0.193 0.000 1.308 423 E HN 0.262 nan 8.360 nan 0.000 0.409 424 S N -2.797 112.955 115.700 0.086 0.000 2.715 424 S HA 0.483 4.952 4.470 -0.000 0.000 0.290 424 S C 0.100 174.643 174.600 -0.095 0.000 1.008 424 S CA -0.030 58.107 58.200 -0.105 0.000 0.850 424 S CB 1.185 64.221 63.200 -0.272 0.000 1.059 424 S HN 0.325 nan 8.310 nan 0.000 0.455 425 A N 2.040 124.642 122.820 -0.363 0.000 1.935 425 A HA 0.542 4.862 4.320 -0.000 0.000 0.214 425 A C 0.245 177.594 177.584 -0.392 0.000 1.178 425 A CA 1.471 53.125 52.037 -0.638 0.000 0.640 425 A CB -0.388 17.823 19.000 -1.314 0.000 0.825 425 A HN 1.629 nan 8.150 nan 0.000 0.447 426 W N -4.600 116.656 121.300 -0.072 0.000 3.079 426 W HA 0.621 5.281 4.660 -0.000 0.000 0.329 426 W C -0.610 175.862 176.519 -0.077 0.000 1.181 426 W CA -1.247 56.062 57.345 -0.061 0.000 1.160 426 W CB 0.160 29.594 29.460 -0.044 0.000 1.423 426 W HN 0.229 nan 8.180 nan 0.000 0.566 427 A N 1.671 124.623 122.820 0.220 0.000 2.354 427 A HA 0.539 4.858 4.320 -0.000 0.000 0.269 427 A C -0.556 177.073 177.584 0.075 0.000 1.109 427 A CA -0.512 51.509 52.037 -0.028 0.000 0.800 427 A CB 0.386 19.254 19.000 -0.220 0.000 1.045 427 A HN 0.745 nan 8.150 nan 0.000 0.489 428 N N 1.989 120.659 118.700 -0.050 0.000 2.623 428 N HA 0.291 5.031 4.740 -0.000 0.000 0.256 428 N C -1.367 174.150 175.510 0.011 0.000 1.045 428 N CA -0.535 52.554 53.050 0.066 0.000 0.863 428 N CB 0.452 38.999 38.487 0.101 0.000 1.182 428 N HN 0.662 nan 8.380 nan 0.000 0.523 429 W N 2.883 124.253 121.300 0.117 0.000 2.210 429 W HA 0.276 4.936 4.660 -0.000 0.000 0.330 429 W C 0.872 177.432 176.519 0.068 0.000 1.334 429 W CA -0.409 56.997 57.345 0.101 0.000 1.227 429 W CB 0.450 29.977 29.460 0.111 0.000 1.178 429 W HN 0.393 nan 8.180 nan 0.000 0.560 430 A N 4.152 127.143 122.820 0.285 0.000 2.548 430 A HA 0.489 4.809 4.320 -0.000 0.000 0.247 430 A C 0.899 178.590 177.584 0.178 0.000 1.067 430 A CA 0.734 52.881 52.037 0.182 0.000 0.757 430 A CB -0.775 18.313 19.000 0.147 0.000 0.996 430 A HN 1.523 nan 8.150 nan 0.000 0.504 441 T N -2.358 112.021 114.554 -0.291 0.000 2.828 441 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 441 T C -1.440 173.221 174.700 -0.066 0.000 1.019 441 T CA -0.877 61.149 62.100 -0.124 0.000 1.031 441 T CB 0.870 69.698 68.868 -0.067 0.000 1.001 441 T HN -0.082 nan 8.240 nan 0.000 0.531 442 P HA -0.009 nan 4.420 nan 0.000 0.218 442 P C 1.148 178.460 177.300 0.021 0.000 1.149 442 P CA 0.906 64.012 63.100 0.010 0.000 0.817 442 P CB 0.059 31.774 31.700 0.025 0.000 0.785 443 E N -1.861 118.365 120.200 0.043 0.000 2.107 443 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 443 E C 1.920 178.504 176.600 -0.027 0.000 0.982 443 E CA 0.822 57.280 56.400 0.096 0.000 0.809 443 E CB -0.980 28.878 29.700 0.264 0.000 0.756 443 E HN 0.362 nan 8.360 nan 0.000 0.459 444 Y N 1.336 121.326 120.300 -0.518 0.000 2.200 444 Y HA -0.207 4.343 4.550 -0.000 0.000 0.290 444 Y C 2.307 178.000 175.900 -0.345 0.000 1.137 444 Y CA 1.845 59.433 58.100 -0.853 0.000 1.163 444 Y CB 0.170 37.932 38.460 -1.163 0.000 0.988 444 Y HN 0.027 nan 8.280 nan 0.000 0.518 445 E N 0.252 120.475 120.200 0.039 0.000 2.106 445 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 445 E C 2.106 178.697 176.600 -0.016 0.000 0.984 445 E CA 1.261 57.682 56.400 0.034 0.000 0.806 445 E CB -0.109 29.620 29.700 0.049 0.000 0.750 445 E HN 0.295 nan 8.360 nan 0.000 0.458 446 K N 0.634 121.033 120.400 -0.001 0.000 2.103 446 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 446 K C 1.744 178.367 176.600 0.038 0.000 1.048 446 K CA 1.231 57.532 56.287 0.023 0.000 0.930 446 K CB -0.190 32.337 32.500 0.045 0.000 0.716 446 K HN 0.193 nan 8.250 nan 0.000 0.444 447 L N 0.658 121.892 121.223 0.018 0.000 2.599 447 L HA 0.082 4.422 4.340 -0.000 0.000 0.230 447 L C 1.454 178.377 176.870 0.087 0.000 1.141 447 L CA 0.032 54.926 54.840 0.089 0.000 0.877 447 L CB -0.080 42.012 42.059 0.054 0.000 1.009 447 L HN 0.147 nan 8.230 nan 0.000 0.447 448 L N -1.162 120.045 121.223 -0.028 0.000 2.418 448 L HA 0.032 4.372 4.340 -0.000 0.000 0.218 448 L C 0.837 177.728 176.870 0.036 0.000 1.125 448 L CA 0.305 55.135 54.840 -0.017 0.000 0.835 448 L CB -0.162 41.856 42.059 -0.068 0.000 0.953 448 L HN 0.184 nan 8.230 nan 0.000 0.454 449 E N 1.527 121.739 120.200 0.019 0.000 2.331 449 E HA 0.241 4.591 4.350 -0.000 0.000 0.272 449 E C -2.106 174.437 176.600 -0.094 0.000 1.036 449 E CA -2.224 54.157 56.400 -0.031 0.000 0.864 449 E CB 0.380 30.063 29.700 -0.029 0.000 1.035 449 E HN -0.039 nan 8.360 nan 0.000 0.408 450 P HA 0.044 nan 4.420 nan 0.000 0.271 450 P C -0.248 176.868 177.300 -0.307 0.000 1.218 450 P CA -0.214 62.549 63.100 -0.562 0.000 0.780 450 P CB 0.592 31.736 31.700 -0.926 0.000 0.901 451 V N 3.310 123.040 119.914 -0.307 0.000 2.247 451 V HA 0.071 4.190 4.120 -0.000 0.000 0.262 451 V C 1.077 177.074 176.094 -0.161 0.000 1.096 451 V CA 0.323 62.529 62.300 -0.158 0.000 0.895 451 V CB -0.589 31.181 31.823 -0.089 0.000 1.141 451 V HN 0.795 nan 8.190 nan 0.000 0.478 452 D N 3.904 124.227 120.400 -0.129 0.000 4.471 452 D HA -0.319 4.321 4.640 -0.000 0.000 0.191 452 D C 1.269 177.516 176.300 -0.088 0.000 0.625 452 D CA 2.525 56.475 54.000 -0.084 0.000 1.190 452 D CB -0.305 40.468 40.800 -0.045 0.000 0.677 452 D HN 0.566 nan 8.370 nan 0.000 0.467 453 K N -0.083 120.294 120.400 -0.040 0.000 2.373 453 K HA 0.415 4.735 4.320 -0.000 0.000 0.202 453 K C -0.065 176.593 176.600 0.096 0.000 1.025 453 K CA -0.122 56.231 56.287 0.110 0.000 1.115 453 K CB 0.852 33.380 32.500 0.047 0.000 0.858 453 K HN 0.290 nan 8.250 nan 0.000 0.525 454 I N 1.412 121.900 120.570 -0.137 0.000 2.336 454 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 454 I C -0.787 175.063 176.117 -0.446 0.000 0.991 454 I CA -0.848 60.328 61.300 -0.207 0.000 1.227 454 I CB 0.753 38.581 38.000 -0.287 0.000 1.366 454 I HN -0.046 nan 8.210 nan 0.000 0.466 455 Y N 5.430 125.547 120.300 -0.305 0.000 2.393 455 Y HA 0.481 5.031 4.550 -0.000 0.000 0.341 455 Y C -0.355 175.330 175.900 -0.358 0.000 0.988 455 Y CA -0.709 57.221 58.100 -0.283 0.000 1.078 455 Y CB 1.561 39.947 38.460 -0.124 0.000 1.203 455 Y HN 0.300 nan 8.280 nan 0.000 0.453 456 F N 2.078 122.112 119.950 0.141 0.000 2.385 456 F HA 0.718 5.245 4.527 -0.000 0.000 0.336 456 F C 0.278 176.109 175.800 0.051 0.000 1.100 456 F CA -0.730 57.330 58.000 0.098 0.000 1.116 456 F CB 1.221 40.281 39.000 0.101 0.000 1.166 456 F HN 0.477 nan 8.300 nan 0.000 0.511 457 A N 1.439 124.390 122.820 0.218 0.000 2.539 457 A HA 0.949 5.269 4.320 -0.000 0.000 0.296 457 A C -0.397 177.221 177.584 0.056 0.000 1.073 457 A CA -0.095 51.977 52.037 0.058 0.000 0.700 457 A CB 1.732 20.737 19.000 0.009 0.000 1.296 457 A HN 1.355 nan 8.150 nan 0.000 0.405 458 G N 0.304 109.073 108.800 -0.053 0.000 2.336 458 G HA2 0.435 4.395 3.960 -0.000 0.000 0.300 458 G HA3 0.435 4.395 3.960 -0.000 0.000 0.300 458 G C -0.187 174.723 174.900 0.017 0.000 1.375 458 G CA 0.413 45.545 45.100 0.054 0.000 0.885 458 G HN 1.097 nan 8.290 nan 0.000 0.599 459 D N -0.749 119.752 120.400 0.170 0.000 2.264 459 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 459 D C 1.674 178.137 176.300 0.271 0.000 0.966 459 D CA 1.889 55.997 54.000 0.180 0.000 0.864 459 D CB -0.581 40.329 40.800 0.184 0.000 0.933 459 D HN 0.685 nan 8.370 nan 0.000 0.499 460 H N 0.639 119.858 119.070 0.248 0.000 2.491 460 H HA 0.015 4.570 4.556 -0.000 0.000 0.290 460 H C 1.265 176.948 175.328 0.592 0.000 1.050 460 H CA 0.341 56.645 56.048 0.427 0.000 1.309 460 H CB -0.651 29.281 29.762 0.285 0.000 1.392 460 H HN 0.200 nan 8.280 nan 0.000 0.554 461 L N 2.553 123.672 121.223 -0.173 0.000 3.035 461 L HA 0.213 4.553 4.340 -0.000 0.000 0.232 461 L C 0.146 176.965 176.870 -0.085 0.000 1.341 461 L CA -0.353 54.295 54.840 -0.320 0.000 1.177 461 L CB 0.048 41.822 42.059 -0.475 0.000 1.555 461 L HN 0.284 nan 8.230 nan 0.000 0.473 462 S N -2.795 113.064 115.700 0.265 0.000 2.671 462 S HA 0.353 4.823 4.470 -0.000 0.000 0.277 462 S C -0.058 174.738 174.600 0.326 0.000 1.165 462 S CA -0.898 57.459 58.200 0.261 0.000 0.822 462 S CB 1.408 64.698 63.200 0.150 0.000 1.150 462 S HN 0.232 nan 8.310 nan 0.000 0.479 463 N N 0.297 119.129 118.700 0.219 0.000 2.295 463 N HA 0.487 5.227 4.740 -0.000 0.000 0.221 463 N C -0.143 175.484 175.510 0.195 0.000 1.129 463 N CA 0.265 53.410 53.050 0.157 0.000 0.836 463 N CB 0.932 39.479 38.487 0.100 0.000 1.040 463 N HN 0.757 nan 8.380 nan 0.000 0.494 464 A N 0.671 123.642 122.820 0.252 0.000 3.365 464 A HA 0.312 4.632 4.320 -0.000 0.000 0.258 464 A C -0.162 177.658 177.584 0.393 0.000 0.964 464 A CA -0.550 51.699 52.037 0.352 0.000 0.988 464 A CB -0.240 18.945 19.000 0.307 0.000 1.193 464 A HN 0.143 nan 8.150 nan 0.000 0.508 465 I N 0.844 121.597 120.570 0.305 0.000 2.710 465 I HA 0.196 4.366 4.170 -0.000 0.000 0.286 465 I C 1.432 177.572 176.117 0.038 0.000 1.181 465 I CA 1.124 62.561 61.300 0.229 0.000 1.430 465 I CB 0.812 38.965 38.000 0.255 0.000 1.367 465 I HN 0.899 nan 8.210 nan 0.000 0.577 466 A N 4.274 127.087 122.820 -0.013 0.000 2.969 466 A HA -0.187 4.133 4.320 -0.000 0.000 0.252 466 A C -0.605 176.669 177.584 -0.517 0.000 1.377 466 A CA 0.736 52.604 52.037 -0.281 0.000 0.859 466 A CB -2.152 16.349 19.000 -0.833 0.000 1.077 466 A HN 0.781 nan 8.150 nan 0.000 0.671 467 W N -1.193 120.149 121.300 0.070 0.000 2.915 467 W HA 0.610 5.270 4.660 -0.000 0.000 0.337 467 W C 1.087 177.663 176.519 0.095 0.000 1.102 467 W CA -0.426 56.984 57.345 0.108 0.000 1.224 467 W CB 0.933 30.475 29.460 0.136 0.000 1.416 467 W HN 0.259 nan 8.180 nan 0.000 0.503 468 Q N 0.565 120.595 119.800 0.383 0.000 2.135 468 Q HA -0.305 4.035 4.340 -0.000 0.000 0.204 468 Q C 2.044 178.179 176.000 0.225 0.000 0.981 468 Q CA 1.861 57.826 55.803 0.270 0.000 0.856 468 Q CB -0.276 28.659 28.738 0.327 0.000 0.902 468 Q HN 0.559 nan 8.270 nan 0.000 0.425 469 H N -0.091 119.039 119.070 0.101 0.000 2.357 469 H HA -0.156 4.400 4.556 -0.000 0.000 0.296 469 H C 1.925 177.244 175.328 -0.015 0.000 1.108 469 H CA 1.703 57.701 56.048 -0.083 0.000 1.273 469 H CB -0.076 29.278 29.762 -0.680 0.000 1.367 469 H HN 0.366 nan 8.280 nan 0.000 0.498 470 G N -0.053 108.792 108.800 0.075 0.000 2.418 470 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.217 470 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.217 470 G C 1.969 176.873 174.900 0.007 0.000 1.158 470 G CA 1.116 46.251 45.100 0.058 0.000 0.771 470 G HN 0.568 nan 8.290 nan 0.000 0.545 471 A N 0.481 123.322 122.820 0.036 0.000 1.898 471 A HA 0.125 4.445 4.320 -0.000 0.000 0.216 471 A C 2.443 179.996 177.584 -0.052 0.000 1.181 471 A CA 1.278 53.314 52.037 -0.001 0.000 0.620 471 A CB -0.367 18.634 19.000 0.003 0.000 0.819 471 A HN 0.352 nan 8.150 nan 0.000 0.442 472 L N -0.198 120.995 121.223 -0.050 0.000 2.072 472 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 472 L C 3.004 179.834 176.870 -0.067 0.000 1.079 472 L CA 1.744 56.550 54.840 -0.057 0.000 0.752 472 L CB -0.987 41.090 42.059 0.031 0.000 0.906 472 L HN 0.621 nan 8.230 nan 0.000 0.436 473 T N -4.072 110.386 114.554 -0.161 0.000 2.821 473 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 473 T C 2.082 176.716 174.700 -0.111 0.000 1.046 473 T CA 1.383 63.384 62.100 -0.165 0.000 1.139 473 T CB -0.377 68.314 68.868 -0.295 0.000 0.871 473 T HN 0.220 nan 8.240 nan 0.000 0.454 474 S N 1.530 117.171 115.700 -0.098 0.000 2.368 474 S HA 0.009 4.479 4.470 -0.000 0.000 0.225 474 S C 2.491 177.029 174.600 -0.103 0.000 1.030 474 S CA 1.300 59.448 58.200 -0.088 0.000 0.999 474 S CB -0.992 62.163 63.200 -0.076 0.000 0.844 474 S HN 0.741 nan 8.310 nan 0.000 0.459 475 A N 1.637 124.396 122.820 -0.101 0.000 1.883 475 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 475 A C 2.255 179.759 177.584 -0.133 0.000 1.186 475 A CA 1.652 53.617 52.037 -0.119 0.000 0.624 475 A CB -0.650 18.272 19.000 -0.130 0.000 0.822 475 A HN 0.639 nan 8.150 nan 0.000 0.444 476 R N -0.553 119.889 120.500 -0.097 0.000 2.092 476 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 476 R C 1.624 177.815 176.300 -0.182 0.000 1.119 476 R CA 1.358 57.405 56.100 -0.089 0.000 0.970 476 R CB -0.334 29.959 30.300 -0.012 0.000 0.864 476 R HN 0.460 nan 8.270 nan 0.000 0.440 477 D N 0.019 120.290 120.400 -0.216 0.000 2.117 477 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 477 D C 1.900 177.808 176.300 -0.654 0.000 0.982 477 D CA 1.004 54.769 54.000 -0.392 0.000 0.828 477 D CB -0.091 40.545 40.800 -0.272 0.000 0.967 477 D HN -0.007 nan 8.370 nan 0.000 0.464 478 V N 0.447 120.130 119.914 -0.385 0.000 2.453 478 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 478 V C 2.572 178.405 176.094 -0.433 0.000 1.048 478 V CA 0.798 62.894 62.300 -0.339 0.000 1.049 478 V CB -0.185 31.529 31.823 -0.181 0.000 0.672 478 V HN 0.051 nan 8.190 nan 0.000 0.457 479 V N -0.071 119.628 119.914 -0.358 0.000 2.343 479 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 479 V C 2.585 178.493 176.094 -0.310 0.000 1.051 479 V CA 2.619 64.704 62.300 -0.358 0.000 1.036 479 V CB -0.891 30.766 31.823 -0.276 0.000 0.654 479 V HN 0.611 nan 8.190 nan 0.000 0.451 480 T N -1.002 113.384 114.554 -0.280 0.000 2.684 480 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 480 T C 1.663 176.313 174.700 -0.084 0.000 1.036 480 T CA 2.131 64.128 62.100 -0.172 0.000 1.148 480 T CB -0.409 68.351 68.868 -0.180 0.000 0.863 480 T HN 0.682 nan 8.240 nan 0.000 0.436 481 H N 0.141 119.129 119.070 -0.138 0.000 2.389 481 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 481 H C 2.245 177.435 175.328 -0.230 0.000 1.081 481 H CA 0.908 56.883 56.048 -0.121 0.000 1.345 481 H CB -0.150 29.587 29.762 -0.042 0.000 1.393 481 H HN 0.254 nan 8.280 nan 0.000 0.520 482 I N -0.009 120.339 120.570 -0.370 0.000 2.286 482 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 482 I C 2.430 178.376 176.117 -0.284 0.000 1.115 482 I CA 1.353 62.315 61.300 -0.564 0.000 1.392 482 I CB -0.151 37.367 38.000 -0.803 0.000 1.065 482 I HN 0.324 nan 8.210 nan 0.000 0.418 483 H N 0.998 119.926 119.070 -0.237 0.000 2.389 483 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 483 H C 2.070 177.366 175.328 -0.052 0.000 1.081 483 H CA 1.689 57.696 56.048 -0.069 0.000 1.345 483 H CB 0.149 29.890 29.762 -0.035 0.000 1.393 483 H HN 0.292 nan 8.280 nan 0.000 0.520 484 E N -0.191 120.002 120.200 -0.011 0.000 2.150 484 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 484 E C 2.278 178.840 176.600 -0.062 0.000 0.985 484 E CA 0.536 56.914 56.400 -0.038 0.000 0.814 484 E CB 0.065 29.786 29.700 0.035 0.000 0.752 484 E HN 0.380 nan 8.360 nan 0.000 0.466 485 R N 0.725 121.189 120.500 -0.060 0.000 2.066 485 R HA -0.110 4.229 4.340 -0.000 0.000 0.232 485 R C 2.212 178.488 176.300 -0.040 0.000 1.131 485 R CA 1.013 57.093 56.100 -0.033 0.000 0.955 485 R CB -0.118 30.166 30.300 -0.026 0.000 0.851 485 R HN 0.007 nan 8.270 nan 0.000 0.432 486 V N 1.129 120.976 119.914 -0.111 0.000 2.407 486 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 486 V C 2.361 178.352 176.094 -0.171 0.000 1.055 486 V CA 1.877 64.095 62.300 -0.138 0.000 1.049 486 V CB -0.568 31.081 31.823 -0.291 0.000 0.662 486 V HN 0.552 nan 8.190 nan 0.000 0.455 487 A N -1.164 121.529 122.820 -0.212 0.000 2.067 487 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 487 A C 1.482 179.018 177.584 -0.080 0.000 1.158 487 A CA 0.767 52.702 52.037 -0.171 0.000 0.661 487 A CB -0.234 18.647 19.000 -0.198 0.000 0.801 487 A HN 0.634 nan 8.150 nan 0.000 0.452 488 Q N 0.000 119.770 119.800 -0.050 0.000 2.315 488 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 488 Q CA 0.000 55.793 55.803 -0.017 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