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 3dmg_1_A DATA FIRST_RESID 3 DATA SEQUENCE LTREAYHRLT PLPHPGGRLF IKPGARGYRD PVHDLLQKTV EPFGERALDL DATA SEQUENCE NPGVGWGSLP LEGRMAVERL ETSRAAFRCL TASGLQARLA LPWEAAAGAY DATA SEQUENCE DLVVLALPAG RGTAYVQASL VAAARALRMG GRLYLAGDKN KGFERYFKEA DATA SEQUENCE RALLGYGVVV RREGPYRVAL LEKEKEAPPL PSLWRAFSAR ILGAEYTFHH DATA SEQUENCE LPGVFSAGKV DPASLLLLEA LQERLGPEGV RGRQVLDLGA GYGALTLPLA DATA SEQUENCE RMGAEVVGVE DDLASVLSLQ KGLEANALKA QALHSDVDEA LTEEARFDII DATA SEQUENCE VTNPPFHVGG AVILDVAQAF VNVAAARLRP GGVFFLVSNP FLKYEPLLEE DATA SEQUENCE KFGAFQTLKV AEYKVLFAEK R 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.881 176.870 0.019 0.000 1.165 3 L CA 0.000 54.851 54.840 0.019 0.000 0.813 3 L CB 0.000 42.092 42.059 0.055 0.000 0.961 4 T N -2.176 112.390 114.554 0.020 0.000 2.748 4 T HA 0.258 4.607 4.350 -0.001 0.000 0.304 4 T C 1.058 175.792 174.700 0.056 0.000 1.041 4 T CA -0.241 61.872 62.100 0.022 0.000 1.033 4 T CB 0.972 69.851 68.868 0.019 0.000 0.995 4 T HN 0.670 nan 8.240 nan 0.000 0.536 5 R N 0.177 120.714 120.500 0.062 0.000 2.081 5 R HA -0.080 4.259 4.340 -0.001 0.000 0.235 5 R C 2.636 179.055 176.300 0.198 0.000 1.131 5 R CA 1.282 57.459 56.100 0.129 0.000 0.960 5 R CB -0.331 30.047 30.300 0.130 0.000 0.856 5 R HN 0.777 nan 8.270 nan 0.000 0.436 6 E N 1.158 121.437 120.200 0.133 0.000 2.085 6 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 6 E C 1.833 178.485 176.600 0.087 0.000 0.994 6 E CA 1.704 58.172 56.400 0.115 0.000 0.801 6 E CB -0.039 29.696 29.700 0.058 0.000 0.743 6 E HN 0.338 nan 8.360 nan 0.000 0.453 7 A N 0.221 123.074 122.820 0.056 0.000 1.898 7 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 7 A C 2.150 179.723 177.584 -0.017 0.000 1.181 7 A CA 1.460 53.507 52.037 0.016 0.000 0.620 7 A CB -0.996 18.011 19.000 0.010 0.000 0.819 7 A HN 0.511 nan 8.150 nan 0.000 0.442 8 Y N 0.140 120.395 120.300 -0.075 0.000 2.165 8 Y HA -0.251 4.298 4.550 -0.001 0.000 0.286 8 Y C 2.322 178.109 175.900 -0.188 0.000 1.155 8 Y CA 2.321 60.322 58.100 -0.165 0.000 1.164 8 Y CB -0.253 38.049 38.460 -0.262 0.000 0.978 8 Y HN 0.489 nan 8.280 nan 0.000 0.513 9 H N 0.075 119.102 119.070 -0.072 0.000 2.548 9 H HA 0.136 4.692 4.556 -0.001 0.000 0.265 9 H C 0.622 175.874 175.328 -0.126 0.000 0.969 9 H CA 0.295 56.282 56.048 -0.101 0.000 1.155 9 H CB -0.122 29.668 29.762 0.048 0.000 1.394 9 H HN 0.211 nan 8.280 nan 0.000 0.570 10 R N 1.328 121.815 120.500 -0.022 0.000 2.491 10 R HA 0.157 4.497 4.340 -0.001 0.000 0.283 10 R C -0.544 175.728 176.300 -0.047 0.000 1.072 10 R CA -0.211 55.877 56.100 -0.020 0.000 1.048 10 R CB 0.339 30.629 30.300 -0.018 0.000 0.983 10 R HN 0.062 nan 8.270 nan 0.000 0.450 11 L N 4.040 125.267 121.223 0.007 0.000 2.275 11 L HA 0.347 4.686 4.340 -0.001 0.000 0.288 11 L C -0.221 176.774 176.870 0.209 0.000 1.046 11 L CA -0.521 54.370 54.840 0.086 0.000 0.805 11 L CB 1.825 43.911 42.059 0.046 0.000 1.193 11 L HN 0.662 nan 8.230 nan 0.000 0.426 12 T N 4.051 118.669 114.554 0.107 0.000 2.792 12 T HA 0.403 4.752 4.350 -0.001 0.000 0.280 12 T C -2.572 171.966 174.700 -0.270 0.000 0.990 12 T CA -1.304 60.767 62.100 -0.048 0.000 0.960 12 T CB 1.910 70.701 68.868 -0.128 0.000 0.939 12 T HN 0.355 nan 8.240 nan 0.000 0.439 13 P HA 0.417 nan 4.420 nan 0.000 0.286 13 P C -0.971 176.057 177.300 -0.452 0.000 1.269 13 P CA -0.487 62.084 63.100 -0.881 0.000 0.787 13 P CB 0.884 31.904 31.700 -1.133 0.000 0.920 14 L N 5.692 126.696 121.223 -0.365 0.000 2.334 14 L HA 0.531 4.870 4.340 -0.001 0.000 0.273 14 L C -2.050 174.714 176.870 -0.178 0.000 1.013 14 L CA -2.610 52.085 54.840 -0.242 0.000 0.816 14 L CB 2.196 44.116 42.059 -0.232 0.000 1.278 14 L HN 0.201 nan 8.230 nan 0.000 0.431 15 P HA 0.258 nan 4.420 nan 0.000 0.278 15 P C -1.615 175.663 177.300 -0.036 0.000 1.238 15 P CA -0.096 62.923 63.100 -0.134 0.000 0.794 15 P CB 0.878 32.513 31.700 -0.109 0.000 0.955 16 H N -0.412 118.656 119.070 -0.003 0.000 2.985 16 H HA 0.656 5.211 4.556 -0.001 0.000 0.360 16 H C -2.824 172.556 175.328 0.086 0.000 1.221 16 H CA -2.777 53.325 56.048 0.089 0.000 1.121 16 H CB -0.374 29.555 29.762 0.278 0.000 1.854 16 H HN 0.098 nan 8.280 nan 0.000 0.551 17 P HA 0.107 nan 4.420 nan 0.000 0.260 17 P C 0.944 178.284 177.300 0.065 0.000 1.185 17 P CA 1.894 65.049 63.100 0.092 0.000 0.763 17 P CB 0.536 32.309 31.700 0.121 0.000 0.776 18 G N 1.801 110.581 108.800 -0.033 0.000 2.199 18 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.254 18 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.254 18 G C 0.415 175.248 174.900 -0.113 0.000 0.982 18 G CA -0.053 45.027 45.100 -0.032 0.000 0.632 18 G HN 0.981 nan 8.290 nan 0.000 0.529 19 G N -0.892 107.683 108.800 -0.376 0.000 2.500 19 G HA2 0.841 4.800 3.960 -0.001 0.000 0.299 19 G HA3 0.841 4.800 3.960 -0.001 0.000 0.299 19 G C -0.901 173.598 174.900 -0.669 0.000 1.242 19 G CA 0.357 45.203 45.100 -0.424 0.000 0.859 19 G HN 1.252 nan 8.290 nan 0.000 0.481 20 R N -1.570 118.722 120.500 -0.346 0.000 2.764 20 R HA 0.832 5.171 4.340 -0.001 0.000 0.270 20 R C -2.315 174.052 176.300 0.111 0.000 1.014 20 R CA -0.874 55.121 56.100 -0.175 0.000 0.904 20 R CB 1.897 32.058 30.300 -0.231 0.000 1.236 20 R HN 0.854 nan 8.270 nan 0.000 0.466 21 L N 1.502 122.740 121.223 0.024 0.000 2.464 21 L HA 0.525 4.865 4.340 -0.001 0.000 0.266 21 L C -1.631 175.173 176.870 -0.111 0.000 0.965 21 L CA -0.456 54.430 54.840 0.077 0.000 0.833 21 L CB 2.042 44.190 42.059 0.150 0.000 1.296 21 L HN 0.653 nan 8.230 nan 0.000 0.405 22 F N 5.391 125.322 119.950 -0.032 0.000 2.412 22 F HA 0.582 5.109 4.527 -0.001 0.000 0.348 22 F C 0.622 176.336 175.800 -0.144 0.000 1.102 22 F CA -0.066 57.879 58.000 -0.091 0.000 1.196 22 F CB 0.974 39.933 39.000 -0.069 0.000 1.144 22 F HN 0.423 nan 8.300 nan 0.000 0.541 23 I N 0.790 121.318 120.570 -0.069 0.000 3.108 23 I HA 0.776 4.945 4.170 -0.001 0.000 0.312 23 I C -1.333 174.679 176.117 -0.175 0.000 1.095 23 I CA -1.104 60.073 61.300 -0.206 0.000 1.000 23 I CB 2.603 40.271 38.000 -0.554 0.000 1.229 23 I HN 0.639 nan 8.210 nan 0.000 0.454 24 K N 1.440 121.719 120.400 -0.201 0.000 2.579 24 K HA 0.644 4.964 4.320 -0.001 0.000 0.284 24 K C -3.228 173.228 176.600 -0.239 0.000 0.990 24 K CA -1.691 54.464 56.287 -0.221 0.000 0.880 24 K CB 1.414 33.785 32.500 -0.216 0.000 1.488 24 K HN 0.292 nan 8.250 nan 0.000 0.425 25 P HA 0.053 nan 4.420 nan 0.000 0.264 25 P C 0.497 177.659 177.300 -0.230 0.000 1.183 25 P CA 1.545 64.501 63.100 -0.240 0.000 0.763 25 P CB 0.578 32.107 31.700 -0.286 0.000 0.807 26 G N 1.404 110.191 108.800 -0.022 0.000 2.176 26 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.253 26 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.253 26 G C 0.308 175.217 174.900 0.014 0.000 0.979 26 G CA -0.002 45.132 45.100 0.057 0.000 0.641 26 G HN 0.870 nan 8.290 nan 0.000 0.530 27 A N 0.430 123.232 122.820 -0.030 0.000 2.292 27 A HA 0.815 5.134 4.320 -0.001 0.000 0.319 27 A C 0.643 178.220 177.584 -0.012 0.000 1.206 27 A CA -0.373 51.652 52.037 -0.021 0.000 0.835 27 A CB 0.592 19.564 19.000 -0.046 0.000 1.164 27 A HN 0.453 nan 8.150 nan 0.000 0.505 28 R N 0.632 121.124 120.500 -0.014 0.000 2.679 28 R HA 0.458 4.797 4.340 -0.001 0.000 0.269 28 R C 1.145 177.360 176.300 -0.140 0.000 1.076 28 R CA 0.982 57.057 56.100 -0.043 0.000 1.160 28 R CB 0.437 30.730 30.300 -0.013 0.000 1.054 28 R HN 1.531 nan 8.270 nan 0.000 0.507 29 G N 0.362 108.995 108.800 -0.279 0.000 2.176 29 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.232 29 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.232 29 G C -0.758 174.023 174.900 -0.199 0.000 0.986 29 G CA -0.051 44.669 45.100 -0.632 0.000 0.643 29 G HN 0.571 nan 8.290 nan 0.000 0.522 30 Y N 1.947 122.120 120.300 -0.211 0.000 2.331 30 Y HA 0.588 5.137 4.550 -0.001 0.000 0.338 30 Y C 1.254 177.060 175.900 -0.157 0.000 0.992 30 Y CA -1.108 56.877 58.100 -0.190 0.000 1.121 30 Y CB 0.637 38.995 38.460 -0.171 0.000 1.184 30 Y HN 0.325 nan 8.280 nan 0.000 0.469 31 R N 2.782 122.886 120.500 -0.661 0.000 3.516 31 R HA -0.230 4.110 4.340 -0.001 0.000 0.271 31 R C -1.117 175.009 176.300 -0.289 0.000 1.098 31 R CA 1.189 56.944 56.100 -0.575 0.000 0.732 31 R CB -1.404 28.406 30.300 -0.816 0.000 1.152 31 R HN 0.717 nan 8.270 nan 0.000 0.455 32 D N 0.140 120.445 120.400 -0.159 0.000 2.329 32 D HA 0.217 4.856 4.640 -0.001 0.000 0.232 32 D C -1.515 174.725 176.300 -0.101 0.000 1.088 32 D CA -2.481 51.476 54.000 -0.071 0.000 0.835 32 D CB 1.501 42.342 40.800 0.068 0.000 1.078 32 D HN -0.131 nan 8.370 nan 0.000 0.495 33 P HA -0.140 nan 4.420 nan 0.000 0.218 33 P C 1.549 178.580 177.300 -0.448 0.000 1.148 33 P CA 0.530 63.307 63.100 -0.538 0.000 0.822 33 P CB 0.466 31.404 31.700 -1.269 0.000 0.784 34 V N -0.782 118.952 119.914 -0.300 0.000 2.270 34 V HA -0.263 3.856 4.120 -0.001 0.000 0.245 34 V C 2.169 178.199 176.094 -0.107 0.000 1.043 34 V CA 2.065 64.278 62.300 -0.144 0.000 1.014 34 V CB -1.535 30.255 31.823 -0.055 0.000 0.645 34 V HN 0.156 nan 8.190 nan 0.000 0.447 35 H N -0.001 119.050 119.070 -0.030 0.000 2.387 35 H HA -0.126 4.429 4.556 -0.001 0.000 0.299 35 H C 2.156 177.508 175.328 0.041 0.000 1.090 35 H CA 1.646 57.709 56.048 0.026 0.000 1.332 35 H CB -0.264 29.564 29.762 0.111 0.000 1.386 35 H HN 0.400 nan 8.280 nan 0.000 0.516 36 D N -0.025 120.489 120.400 0.189 0.000 2.117 36 D HA -0.115 4.524 4.640 -0.001 0.000 0.197 36 D C 2.133 178.439 176.300 0.010 0.000 0.987 36 D CA 0.530 54.648 54.000 0.195 0.000 0.829 36 D CB -0.320 40.557 40.800 0.128 0.000 0.961 36 D HN 0.183 nan 8.370 nan 0.000 0.460 37 L N 0.543 121.732 121.223 -0.056 0.000 2.056 37 L HA -0.064 4.276 4.340 -0.001 0.000 0.207 37 L C 2.246 179.037 176.870 -0.132 0.000 1.078 37 L CA 1.129 55.917 54.840 -0.085 0.000 0.749 37 L CB -0.478 41.532 42.059 -0.081 0.000 0.901 37 L HN 0.028 nan 8.230 nan 0.000 0.433 38 L N -0.920 120.211 121.223 -0.153 0.000 2.012 38 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 38 L C 2.676 179.358 176.870 -0.312 0.000 1.073 38 L CA 1.658 56.363 54.840 -0.225 0.000 0.748 38 L CB -0.653 41.282 42.059 -0.206 0.000 0.891 38 L HN 0.436 nan 8.230 nan 0.000 0.431 39 Q N 0.793 120.372 119.800 -0.368 0.000 2.181 39 Q HA -0.238 4.101 4.340 -0.001 0.000 0.205 39 Q C 1.898 177.647 176.000 -0.419 0.000 0.980 39 Q CA 1.626 57.076 55.803 -0.588 0.000 0.862 39 Q CB 0.025 28.034 28.738 -1.215 0.000 0.905 39 Q HN 0.485 nan 8.270 nan 0.000 0.429 40 K N -0.908 119.334 120.400 -0.264 0.000 2.486 40 K HA 0.005 4.324 4.320 -0.001 0.000 0.194 40 K C 1.418 177.923 176.600 -0.159 0.000 1.033 40 K CA 1.072 57.259 56.287 -0.167 0.000 1.004 40 K CB 0.397 32.844 32.500 -0.088 0.000 0.798 40 K HN 0.154 nan 8.250 nan 0.000 0.495 41 T N 0.064 114.487 114.554 -0.218 0.000 3.098 41 T HA 0.028 4.377 4.350 -0.001 0.000 0.246 41 T C 0.522 175.026 174.700 -0.327 0.000 0.983 41 T CA -0.079 61.898 62.100 -0.205 0.000 1.094 41 T CB 0.224 68.987 68.868 -0.175 0.000 1.035 41 T HN 0.059 nan 8.240 nan 0.000 0.456 42 V N 1.910 121.494 119.914 -0.550 0.000 2.694 42 V HA 0.399 4.518 4.120 -0.001 0.000 0.306 42 V C -0.548 175.357 176.094 -0.315 0.000 1.054 42 V CA -0.417 61.404 62.300 -0.798 0.000 1.161 42 V CB 0.202 31.601 31.823 -0.706 0.000 0.916 42 V HN 0.340 nan 8.190 nan 0.000 0.490 43 E N 4.543 124.684 120.200 -0.097 0.000 2.343 43 E HA 0.537 4.887 4.350 -0.001 0.000 0.270 43 E C -2.792 173.912 176.600 0.173 0.000 0.895 43 E CA -2.246 54.191 56.400 0.061 0.000 0.767 43 E CB 2.221 31.986 29.700 0.108 0.000 1.248 43 E HN 0.594 nan 8.360 nan 0.000 0.440 44 P HA 0.034 nan 4.420 nan 0.000 0.267 44 P C -1.252 176.209 177.300 0.267 0.000 1.200 44 P CA 0.254 63.451 63.100 0.163 0.000 0.772 44 P CB 0.264 32.017 31.700 0.090 0.000 0.855 45 F N 1.882 121.886 119.950 0.090 0.000 2.630 45 F HA 0.522 5.049 4.527 -0.001 0.000 0.325 45 F C 0.407 176.244 175.800 0.062 0.000 1.184 45 F CA 0.591 58.633 58.000 0.071 0.000 1.011 45 F CB 1.185 40.226 39.000 0.069 0.000 1.268 45 F HN 0.723 nan 8.300 nan 0.000 0.480 46 G N 5.179 113.626 108.800 -0.588 0.000 2.601 46 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.252 46 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.252 46 G C 0.095 174.919 174.900 -0.126 0.000 1.294 46 G CA 0.587 45.452 45.100 -0.392 0.000 0.912 46 G HN 0.697 nan 8.290 nan 0.000 0.574 47 E N 0.074 120.234 120.200 -0.067 0.000 2.399 47 E HA 0.252 4.602 4.350 -0.001 0.000 0.205 47 E C 1.224 177.844 176.600 0.033 0.000 0.906 47 E CA 0.456 56.846 56.400 -0.017 0.000 0.998 47 E CB 0.480 30.162 29.700 -0.031 0.000 1.002 47 E HN 0.531 nan 8.360 nan 0.000 0.501 48 R N 0.365 120.904 120.500 0.065 0.000 2.439 48 R HA 0.762 5.101 4.340 -0.001 0.000 0.310 48 R C -0.976 175.493 176.300 0.280 0.000 0.955 48 R CA -0.504 55.681 56.100 0.142 0.000 0.853 48 R CB 2.091 32.421 30.300 0.051 0.000 1.171 48 R HN -0.009 nan 8.270 nan 0.000 0.449 49 A N 2.903 125.886 122.820 0.272 0.000 2.356 49 A HA 0.743 5.062 4.320 -0.001 0.000 0.323 49 A C -1.477 176.162 177.584 0.092 0.000 1.119 49 A CA -0.665 51.497 52.037 0.208 0.000 0.790 49 A CB 1.327 20.406 19.000 0.132 0.000 1.273 49 A HN 0.523 nan 8.150 nan 0.000 0.452 50 L N 1.294 122.437 121.223 -0.132 0.000 2.409 50 L HA 0.554 4.893 4.340 -0.001 0.000 0.272 50 L C -1.341 175.432 176.870 -0.162 0.000 0.980 50 L CA -0.241 54.383 54.840 -0.360 0.000 0.826 50 L CB 1.937 43.424 42.059 -0.953 0.000 1.268 50 L HN 0.682 nan 8.230 nan 0.000 0.407 51 D N 4.527 124.867 120.400 -0.100 0.000 2.329 51 D HA 0.259 4.898 4.640 -0.001 0.000 0.232 51 D C 0.579 176.850 176.300 -0.049 0.000 1.088 51 D CA -0.113 53.861 54.000 -0.044 0.000 0.835 51 D CB 1.284 42.082 40.800 -0.004 0.000 1.078 51 D HN 0.669 nan 8.370 nan 0.000 0.495 52 L N 3.239 124.437 121.223 -0.040 0.000 2.558 52 L HA 0.128 4.467 4.340 -0.001 0.000 0.225 52 L C 0.748 177.624 176.870 0.011 0.000 1.128 52 L CA 0.224 55.041 54.840 -0.038 0.000 0.868 52 L CB -0.008 42.024 42.059 -0.045 0.000 1.006 52 L HN 0.254 nan 8.230 nan 0.000 0.454 53 N N -0.520 118.208 118.700 0.047 0.000 2.666 53 N HA 0.111 4.850 4.740 -0.001 0.000 0.253 53 N C -2.024 173.582 175.510 0.159 0.000 1.621 53 N CA -0.959 52.155 53.050 0.105 0.000 0.785 53 N CB 0.754 39.314 38.487 0.121 0.000 1.332 53 N HN -0.198 nan 8.380 nan 0.000 0.514 54 P HA 0.142 nan 4.420 nan 0.000 0.222 54 P C 1.049 178.439 177.300 0.150 0.000 1.153 54 P CA 1.156 64.340 63.100 0.140 0.000 0.798 54 P CB 0.252 32.000 31.700 0.080 0.000 0.796 55 G N 0.830 109.690 108.800 0.100 0.000 2.596 55 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.295 55 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.295 55 G C 1.048 175.961 174.900 0.020 0.000 1.240 55 G CA 1.242 46.351 45.100 0.015 0.000 0.985 55 G HN 0.334 nan 8.290 nan 0.000 0.555 56 V N -0.994 118.919 119.914 -0.003 0.000 3.444 56 V HA 0.438 4.557 4.120 -0.001 0.000 0.271 56 V C 2.213 178.363 176.094 0.094 0.000 1.188 56 V CA 1.696 64.018 62.300 0.036 0.000 1.168 56 V CB -0.571 31.261 31.823 0.013 0.000 0.810 56 V HN 2.928 nan 8.190 nan 0.000 0.500 57 G N -1.342 107.527 108.800 0.114 0.000 2.141 57 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.231 57 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.231 57 G C 0.545 175.554 174.900 0.182 0.000 0.984 57 G CA 0.301 45.480 45.100 0.132 0.000 0.660 57 G HN 0.614 nan 8.290 nan 0.000 0.525 58 W N 0.887 122.183 121.300 -0.007 0.000 2.381 58 W HA -0.059 4.600 4.660 -0.001 0.000 0.301 58 W C 1.992 178.501 176.519 -0.017 0.000 1.205 58 W CA 1.621 58.946 57.345 -0.033 0.000 1.285 58 W CB -0.466 28.982 29.460 -0.019 0.000 1.133 58 W HN 0.277 nan 8.180 nan 0.000 0.521 59 G N 0.260 109.094 108.800 0.057 0.000 2.440 59 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.218 59 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.218 59 G C 1.418 176.187 174.900 -0.218 0.000 1.154 59 G CA 1.595 46.630 45.100 -0.108 0.000 0.767 59 G HN 0.359 nan 8.290 nan 0.000 0.552 60 S N -0.465 115.159 115.700 -0.127 0.000 2.540 60 S HA 0.238 4.707 4.470 -0.001 0.000 0.218 60 S C 1.887 176.402 174.600 -0.142 0.000 0.977 60 S CA 0.069 58.191 58.200 -0.131 0.000 0.918 60 S CB 0.300 63.471 63.200 -0.050 0.000 0.806 60 S HN 0.102 nan 8.310 nan 0.000 0.496 61 L N 2.808 123.915 121.223 -0.193 0.000 2.081 61 L HA 0.082 4.421 4.340 -0.001 0.000 0.212 61 L C -1.205 175.558 176.870 -0.177 0.000 1.080 61 L CA 1.724 56.461 54.840 -0.172 0.000 0.754 61 L CB -1.305 40.623 42.059 -0.218 0.000 0.893 61 L HN 0.182 nan 8.230 nan 0.000 0.433 62 P HA -0.142 nan 4.420 nan 0.000 0.223 62 P C 1.778 179.024 177.300 -0.090 0.000 1.144 62 P CA 1.222 64.217 63.100 -0.176 0.000 0.783 62 P CB -0.030 31.535 31.700 -0.225 0.000 0.771 63 L N -1.406 119.771 121.223 -0.076 0.000 2.313 63 L HA 0.008 4.347 4.340 -0.001 0.000 0.214 63 L C 1.206 178.078 176.870 0.004 0.000 1.119 63 L CA 0.244 55.073 54.840 -0.019 0.000 0.809 63 L CB -0.750 41.309 42.059 -0.000 0.000 0.933 63 L HN -0.033 nan 8.230 nan 0.000 0.449 64 E N 0.697 120.897 120.200 -0.000 0.000 2.415 64 E HA 0.212 4.561 4.350 -0.001 0.000 0.263 64 E C 1.109 177.727 176.600 0.031 0.000 0.995 64 E CA 0.948 57.362 56.400 0.024 0.000 0.915 64 E CB 0.538 30.259 29.700 0.034 0.000 0.951 64 E HN 0.293 nan 8.360 nan 0.000 0.449 65 G N 4.945 113.766 108.800 0.035 0.000 2.234 65 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.260 65 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.260 65 G C 1.103 176.019 174.900 0.027 0.000 0.987 65 G CA 0.600 45.720 45.100 0.033 0.000 0.625 65 G HN 0.554 nan 8.290 nan 0.000 0.532 66 R N -1.018 119.498 120.500 0.026 0.000 2.279 66 R HA 0.467 4.806 4.340 -0.001 0.000 0.195 66 R C 1.091 177.407 176.300 0.027 0.000 0.905 66 R CA 0.570 56.684 56.100 0.024 0.000 1.044 66 R CB 0.379 30.693 30.300 0.022 0.000 1.056 66 R HN 0.453 nan 8.270 nan 0.000 0.535 67 M N -0.594 119.027 119.600 0.035 0.000 2.631 67 M HA 0.435 4.914 4.480 -0.001 0.000 0.288 67 M C -1.205 175.124 176.300 0.049 0.000 1.260 67 M CA -0.924 54.402 55.300 0.043 0.000 0.842 67 M CB 2.444 35.081 32.600 0.062 0.000 1.743 67 M HN -0.118 nan 8.290 nan 0.000 0.461 68 A N 1.788 124.642 122.820 0.056 0.000 2.347 68 A HA 0.572 4.891 4.320 -0.001 0.000 0.287 68 A C -0.653 176.989 177.584 0.097 0.000 1.199 68 A CA -0.413 51.664 52.037 0.067 0.000 0.851 68 A CB -0.198 18.838 19.000 0.061 0.000 1.118 68 A HN 0.536 nan 8.150 nan 0.000 0.525 69 V N 3.231 123.195 119.914 0.084 0.000 2.384 69 V HA 0.412 4.531 4.120 -0.001 0.000 0.287 69 V C -0.006 176.137 176.094 0.082 0.000 1.020 69 V CA -0.530 61.820 62.300 0.083 0.000 0.850 69 V CB 1.288 33.142 31.823 0.053 0.000 0.987 69 V HN 1.007 nan 8.190 nan 0.000 0.436 70 E N 4.630 124.885 120.200 0.091 0.000 2.212 70 E HA 0.686 5.035 4.350 -0.001 0.000 0.270 70 E C -0.683 175.917 176.600 -0.001 0.000 0.956 70 E CA -0.668 55.772 56.400 0.066 0.000 0.825 70 E CB 1.470 31.252 29.700 0.137 0.000 1.167 70 E HN 0.592 nan 8.360 nan 0.000 0.400 71 R N 2.817 123.319 120.500 0.003 0.000 2.538 71 R HA 0.471 4.811 4.340 -0.001 0.000 0.292 71 R C -0.973 175.320 176.300 -0.012 0.000 1.008 71 R CA -0.608 55.487 56.100 -0.008 0.000 0.896 71 R CB 1.266 31.576 30.300 0.017 0.000 1.187 71 R HN 0.436 nan 8.270 nan 0.000 0.440 72 L N 2.403 123.607 121.223 -0.032 0.000 2.305 72 L HA 0.535 4.874 4.340 -0.001 0.000 0.284 72 L C -0.387 176.471 176.870 -0.020 0.000 1.013 72 L CA -0.767 54.050 54.840 -0.038 0.000 0.819 72 L CB 1.690 43.700 42.059 -0.082 0.000 1.227 72 L HN 0.539 nan 8.230 nan 0.000 0.417 73 E N 0.882 121.082 120.200 0.001 0.000 2.292 73 E HA 0.301 4.650 4.350 -0.001 0.000 0.272 73 E C 0.300 176.930 176.600 0.050 0.000 0.881 73 E CA -0.498 55.921 56.400 0.031 0.000 0.754 73 E CB 1.879 31.605 29.700 0.044 0.000 1.201 73 E HN 0.568 nan 8.360 nan 0.000 0.425 74 T N 0.116 114.708 114.554 0.063 0.000 3.051 74 T HA 0.117 4.466 4.350 -0.001 0.000 0.255 74 T C 0.930 175.749 174.700 0.197 0.000 1.085 74 T CA 0.352 62.503 62.100 0.085 0.000 1.109 74 T CB 0.034 68.932 68.868 0.050 0.000 0.921 74 T HN 0.230 nan 8.240 nan 0.000 0.488 75 S N 0.675 116.462 115.700 0.146 0.000 2.489 75 S HA 0.392 4.862 4.470 -0.001 0.000 0.277 75 S C 1.174 175.823 174.600 0.082 0.000 1.230 75 S CA -0.759 57.526 58.200 0.143 0.000 1.053 75 S CB 1.226 64.474 63.200 0.079 0.000 0.955 75 S HN 0.325 nan 8.310 nan 0.000 0.488 76 R N 4.443 124.938 120.500 -0.008 0.000 2.081 76 R HA -0.006 4.333 4.340 -0.001 0.000 0.235 76 R C 2.385 178.642 176.300 -0.071 0.000 1.131 76 R CA 2.111 58.084 56.100 -0.211 0.000 0.960 76 R CB -0.992 29.047 30.300 -0.435 0.000 0.856 76 R HN 0.815 nan 8.270 nan 0.000 0.436 77 A N 0.050 122.865 122.820 -0.007 0.000 1.908 77 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 77 A C 2.335 179.909 177.584 -0.017 0.000 1.181 77 A CA 1.979 54.017 52.037 0.001 0.000 0.627 77 A CB -1.066 17.950 19.000 0.025 0.000 0.818 77 A HN 0.478 nan 8.150 nan 0.000 0.445 78 A N -1.763 121.057 122.820 -0.001 0.000 1.898 78 A HA 0.031 4.350 4.320 -0.001 0.000 0.216 78 A C 2.201 179.784 177.584 -0.001 0.000 1.181 78 A CA 1.653 53.691 52.037 0.002 0.000 0.620 78 A CB -0.995 18.017 19.000 0.020 0.000 0.819 78 A HN 0.518 nan 8.150 nan 0.000 0.442 79 F N -0.530 119.418 119.950 -0.004 0.000 2.216 79 F HA -0.138 4.388 4.527 -0.001 0.000 0.300 79 F C 2.637 178.416 175.800 -0.034 0.000 1.085 79 F CA 0.990 58.984 58.000 -0.010 0.000 1.326 79 F CB -1.029 37.968 39.000 -0.006 0.000 1.027 79 F HN 0.418 nan 8.300 nan 0.000 0.497 80 R N -0.714 119.757 120.500 -0.050 0.000 2.091 80 R HA -0.214 4.125 4.340 -0.001 0.000 0.238 80 R C 2.238 178.484 176.300 -0.090 0.000 1.136 80 R CA 1.865 57.921 56.100 -0.073 0.000 0.959 80 R CB -1.238 29.022 30.300 -0.066 0.000 0.856 80 R HN 0.434 nan 8.270 nan 0.000 0.437 81 C N 0.621 119.889 119.300 -0.053 0.000 2.453 81 C HA -0.038 4.421 4.460 -0.001 0.000 0.277 81 C C 2.706 177.697 174.990 0.002 0.000 1.262 81 C CA 0.399 59.405 59.018 -0.020 0.000 1.718 81 C CB -0.938 26.810 27.740 0.014 0.000 2.031 81 C HN 0.421 nan 8.230 nan 0.000 0.480 82 L N 0.561 121.791 121.223 0.011 0.000 2.012 82 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 82 L C 2.730 179.604 176.870 0.007 0.000 1.073 82 L CA 1.980 56.839 54.840 0.032 0.000 0.748 82 L CB -1.281 40.796 42.059 0.030 0.000 0.891 82 L HN 0.369 nan 8.230 nan 0.000 0.431 83 T N -0.120 114.415 114.554 -0.032 0.000 2.684 83 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 83 T C 1.995 176.626 174.700 -0.114 0.000 1.036 83 T CA 1.407 63.474 62.100 -0.056 0.000 1.148 83 T CB -0.334 68.496 68.868 -0.063 0.000 0.863 83 T HN 0.466 nan 8.240 nan 0.000 0.436 84 A N 1.284 123.969 122.820 -0.225 0.000 1.940 84 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 84 A C 2.485 179.874 177.584 -0.325 0.000 1.176 84 A CA 1.758 53.490 52.037 -0.507 0.000 0.631 84 A CB -0.702 17.689 19.000 -1.015 0.000 0.814 84 A HN 0.443 nan 8.150 nan 0.000 0.446 85 S N -1.403 114.313 115.700 0.026 0.000 2.603 85 S HA 0.298 4.767 4.470 -0.001 0.000 0.229 85 S C 1.393 176.086 174.600 0.156 0.000 0.972 85 S CA 0.852 59.221 58.200 0.282 0.000 0.935 85 S CB -0.271 63.093 63.200 0.273 0.000 0.769 85 S HN 1.654 nan 8.310 nan 0.000 0.536 86 G N 1.322 110.161 108.800 0.065 0.000 2.176 86 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.252 86 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.252 86 G C -0.150 174.783 174.900 0.056 0.000 1.024 86 G CA -0.112 45.019 45.100 0.052 0.000 0.755 86 G HN 0.480 nan 8.290 nan 0.000 0.507 87 L N 0.461 121.718 121.223 0.056 0.000 2.265 87 L HA 0.395 4.734 4.340 -0.001 0.000 0.289 87 L C 0.988 177.882 176.870 0.040 0.000 1.033 87 L CA -0.718 54.155 54.840 0.056 0.000 0.814 87 L CB 1.639 43.739 42.059 0.069 0.000 1.203 87 L HN 0.320 nan 8.230 nan 0.000 0.423 88 Q N 2.789 122.613 119.800 0.040 0.000 2.283 88 Q HA 0.358 4.697 4.340 -0.001 0.000 0.301 88 Q C -0.702 175.318 176.000 0.034 0.000 1.063 88 Q CA 0.176 56.000 55.803 0.036 0.000 0.952 88 Q CB 0.713 29.477 28.738 0.043 0.000 1.166 88 Q HN 0.759 nan 8.270 nan 0.000 0.381 89 A N 4.528 127.365 122.820 0.029 0.000 2.594 89 A HA 0.668 4.987 4.320 -0.001 0.000 0.296 89 A C -1.611 175.987 177.584 0.024 0.000 1.061 89 A CA -0.961 51.091 52.037 0.026 0.000 0.689 89 A CB 1.552 20.567 19.000 0.024 0.000 1.280 89 A HN 0.674 nan 8.150 nan 0.000 0.406 90 R N 1.014 121.528 120.500 0.023 0.000 2.637 90 R HA 0.522 4.861 4.340 -0.001 0.000 0.291 90 R C -1.065 175.252 176.300 0.028 0.000 0.963 90 R CA -0.895 55.220 56.100 0.025 0.000 0.901 90 R CB 1.122 31.436 30.300 0.022 0.000 1.160 90 R HN 0.668 nan 8.270 nan 0.000 0.457 91 L N 2.358 123.609 121.223 0.046 0.000 2.515 91 L HA 0.386 4.726 4.340 -0.001 0.000 0.281 91 L C 0.232 177.119 176.870 0.028 0.000 1.131 91 L CA 0.148 55.035 54.840 0.079 0.000 0.905 91 L CB 0.219 42.358 42.059 0.134 0.000 1.246 91 L HN 0.653 nan 8.230 nan 0.000 0.463 92 A N 4.082 126.892 122.820 -0.016 0.000 2.594 92 A HA 0.677 4.997 4.320 -0.001 0.000 0.296 92 A C -0.868 176.599 177.584 -0.195 0.000 1.061 92 A CA -0.711 51.271 52.037 -0.093 0.000 0.689 92 A CB 1.040 19.995 19.000 -0.073 0.000 1.280 92 A HN 0.443 nan 8.150 nan 0.000 0.406 93 L N 1.779 122.782 121.223 -0.366 0.000 2.436 93 L HA 0.313 4.652 4.340 -0.001 0.000 0.265 93 L C -1.405 175.038 176.870 -0.711 0.000 1.168 93 L CA -1.801 52.598 54.840 -0.735 0.000 0.815 93 L CB 0.820 42.097 42.059 -1.302 0.000 1.109 93 L HN 0.510 nan 8.230 nan 0.000 0.462 94 P HA -0.172 nan 4.420 nan 0.000 0.216 94 P C 0.865 178.043 177.300 -0.204 0.000 1.150 94 P CA 1.385 64.284 63.100 -0.334 0.000 0.837 94 P CB -0.046 31.521 31.700 -0.221 0.000 0.786 95 W N -0.231 121.013 121.300 -0.093 0.000 3.292 95 W HA 0.240 4.899 4.660 -0.001 0.000 0.263 95 W C 0.878 177.387 176.519 -0.017 0.000 1.318 95 W CA -0.071 57.236 57.345 -0.064 0.000 1.663 95 W CB -1.394 28.014 29.460 -0.087 0.000 1.114 95 W HN -0.010 nan 8.180 nan 0.000 0.706 96 E N 1.089 121.206 120.200 -0.139 0.000 2.489 96 E HA 0.175 4.525 4.350 -0.001 0.000 0.193 96 E C 1.095 177.706 176.600 0.018 0.000 1.057 96 E CA -0.095 56.284 56.400 -0.035 0.000 0.866 96 E CB 0.039 29.676 29.700 -0.104 0.000 0.916 96 E HN 0.242 nan 8.360 nan 0.000 0.500 97 A N 1.645 124.477 122.820 0.020 0.000 2.511 97 A HA 0.349 4.669 4.320 -0.001 0.000 0.242 97 A C 0.467 178.133 177.584 0.138 0.000 1.069 97 A CA 0.040 52.115 52.037 0.063 0.000 0.763 97 A CB 0.167 19.177 19.000 0.016 0.000 1.001 97 A HN 0.239 nan 8.150 nan 0.000 0.498 98 A N 2.040 124.988 122.820 0.213 0.000 2.540 98 A HA 0.489 4.809 4.320 -0.001 0.000 0.239 98 A C 0.877 178.577 177.584 0.194 0.000 1.061 98 A CA 0.364 52.513 52.037 0.188 0.000 0.758 98 A CB -0.333 18.767 19.000 0.167 0.000 0.991 98 A HN 2.151 nan 8.150 nan 0.000 0.502 99 A N 2.072 124.964 122.820 0.120 0.000 2.366 99 A HA 0.548 4.867 4.320 -0.001 0.000 0.272 99 A C 1.477 179.110 177.584 0.082 0.000 1.135 99 A CA 0.395 52.496 52.037 0.107 0.000 0.804 99 A CB -0.427 18.620 19.000 0.078 0.000 1.064 99 A HN 2.748 nan 8.150 nan 0.000 0.499 100 G N 0.631 109.490 108.800 0.098 0.000 2.179 100 G HA2 0.020 3.979 3.960 -0.001 0.000 0.257 100 G HA3 0.020 3.979 3.960 -0.001 0.000 0.257 100 G C 0.744 175.651 174.900 0.011 0.000 1.010 100 G CA 0.743 45.881 45.100 0.063 0.000 0.736 100 G HN 2.017 nan 8.290 nan 0.000 0.513 101 A N -1.410 121.389 122.820 -0.034 0.000 2.390 101 A HA 0.692 5.011 4.320 -0.001 0.000 0.232 101 A C 0.340 177.590 177.584 -0.556 0.000 1.233 101 A CA 0.342 52.191 52.037 -0.313 0.000 0.907 101 A CB 0.412 19.134 19.000 -0.464 0.000 0.967 101 A HN 0.631 nan 8.150 nan 0.000 0.512 102 Y N -0.910 119.418 120.300 0.047 0.000 2.499 102 Y HA 0.388 4.937 4.550 -0.001 0.000 0.347 102 Y C 0.319 176.268 175.900 0.082 0.000 0.987 102 Y CA -1.153 56.983 58.100 0.059 0.000 1.044 102 Y CB 1.578 40.075 38.460 0.063 0.000 1.245 102 Y HN 0.109 nan 8.280 nan 0.000 0.461 103 D N 1.065 121.615 120.400 0.250 0.000 2.301 103 D HA 0.076 4.716 4.640 -0.001 0.000 0.206 103 D C -0.465 176.056 176.300 0.368 0.000 0.979 103 D CA 0.944 55.094 54.000 0.250 0.000 0.874 103 D CB 0.893 41.762 40.800 0.115 0.000 0.968 103 D HN 0.212 nan 8.370 nan 0.000 0.510 104 L N 0.803 122.213 121.223 0.311 0.000 2.464 104 L HA 0.361 4.700 4.340 -0.001 0.000 0.266 104 L C -1.410 175.559 176.870 0.165 0.000 0.965 104 L CA -0.737 54.258 54.840 0.258 0.000 0.833 104 L CB 2.454 44.697 42.059 0.307 0.000 1.296 104 L HN -0.356 nan 8.230 nan 0.000 0.405 105 V N 4.754 124.732 119.914 0.107 0.000 2.680 105 V HA 0.675 4.794 4.120 -0.001 0.000 0.309 105 V C -0.742 175.406 176.094 0.091 0.000 1.052 105 V CA -0.746 61.581 62.300 0.044 0.000 0.908 105 V CB 2.216 34.043 31.823 0.005 0.000 1.001 105 V HN 0.494 nan 8.190 nan 0.000 0.431 106 V N 5.218 125.168 119.914 0.061 0.000 2.448 106 V HA 0.555 4.674 4.120 -0.001 0.000 0.295 106 V C -0.771 175.342 176.094 0.031 0.000 1.025 106 V CA -0.514 61.833 62.300 0.079 0.000 0.859 106 V CB 1.587 33.434 31.823 0.039 0.000 0.988 106 V HN 0.626 nan 8.190 nan 0.000 0.431 107 L N 5.303 126.550 121.223 0.039 0.000 2.471 107 L HA 0.798 5.137 4.340 -0.001 0.000 0.263 107 L C 0.248 177.116 176.870 -0.003 0.000 0.985 107 L CA -0.322 54.527 54.840 0.015 0.000 0.868 107 L CB 1.280 43.350 42.059 0.018 0.000 1.203 107 L HN 0.722 nan 8.230 nan 0.000 0.429 108 A N 5.506 128.284 122.820 -0.070 0.000 2.444 108 A HA 0.397 4.716 4.320 -0.001 0.000 0.273 108 A C 0.050 177.616 177.584 -0.029 0.000 1.136 108 A CA -0.218 51.731 52.037 -0.146 0.000 0.799 108 A CB -0.304 18.393 19.000 -0.506 0.000 1.081 108 A HN 0.766 nan 8.150 nan 0.000 0.509 109 L N 5.336 126.578 121.223 0.032 0.000 2.584 109 L HA 0.128 4.468 4.340 -0.001 0.000 0.272 109 L C -1.295 175.615 176.870 0.067 0.000 1.195 109 L CA -0.907 53.961 54.840 0.047 0.000 0.920 109 L CB 0.585 42.715 42.059 0.118 0.000 1.173 109 L HN 0.575 nan 8.230 nan 0.000 0.489 110 P HA 0.072 nan 4.420 nan 0.000 0.225 110 P C 0.526 177.887 177.300 0.101 0.000 1.768 110 P CA -0.106 63.070 63.100 0.127 0.000 0.943 110 P CB 0.668 32.525 31.700 0.263 0.000 1.936 111 A N 1.595 124.482 122.820 0.113 0.000 1.972 111 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 111 A C 2.333 179.993 177.584 0.127 0.000 1.169 111 A CA 1.822 53.960 52.037 0.167 0.000 0.635 111 A CB -1.499 17.654 19.000 0.256 0.000 0.810 111 A HN 0.387 nan 8.150 nan 0.000 0.446 112 G N -0.923 107.928 108.800 0.084 0.000 2.471 112 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.219 112 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.219 112 G C 1.600 176.500 174.900 0.000 0.000 1.125 112 G CA 0.659 45.783 45.100 0.039 0.000 0.775 112 G HN 0.560 nan 8.290 nan 0.000 0.548 113 R N -0.247 120.241 120.500 -0.020 0.000 2.317 113 R HA 0.350 4.689 4.340 -0.001 0.000 0.208 113 R C 1.131 177.451 176.300 0.033 0.000 0.914 113 R CA 0.425 56.473 56.100 -0.087 0.000 1.060 113 R CB 0.137 30.199 30.300 -0.396 0.000 1.015 113 R HN 0.398 nan 8.270 nan 0.000 0.498 114 G N -0.610 108.244 108.800 0.090 0.000 2.707 114 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.686 114 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.686 114 G C 0.514 175.514 174.900 0.166 0.000 1.315 114 G CA -0.390 44.785 45.100 0.124 0.000 0.832 114 G HN 0.070 nan 8.290 nan 0.000 0.573 115 T N 0.894 115.559 114.554 0.185 0.000 2.665 115 T HA -0.024 4.325 4.350 -0.001 0.000 0.268 115 T C 2.909 177.680 174.700 0.119 0.000 1.035 115 T CA 3.232 65.462 62.100 0.217 0.000 1.151 115 T CB -0.527 68.456 68.868 0.191 0.000 0.862 115 T HN 1.668 nan 8.240 nan 0.000 0.438 116 A N 0.174 123.050 122.820 0.094 0.000 1.902 116 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 116 A C 2.113 179.714 177.584 0.030 0.000 1.181 116 A CA 1.457 53.517 52.037 0.039 0.000 0.623 116 A CB -1.017 18.002 19.000 0.031 0.000 0.818 116 A HN 0.578 nan 8.150 nan 0.000 0.443 117 Y N 0.394 120.694 120.300 0.000 0.000 2.181 117 Y HA -0.168 4.381 4.550 -0.001 0.000 0.288 117 Y C 2.435 178.349 175.900 0.023 0.000 1.146 117 Y CA 1.889 60.022 58.100 0.056 0.000 1.164 117 Y CB -0.160 38.355 38.460 0.091 0.000 0.982 117 Y HN 0.082 nan 8.280 nan 0.000 0.515 118 V N 0.087 120.033 119.914 0.053 0.000 2.343 118 V HA -0.322 3.798 4.120 -0.001 0.000 0.247 118 V C 2.279 178.260 176.094 -0.189 0.000 1.051 118 V CA 2.170 64.361 62.300 -0.182 0.000 1.036 118 V CB -0.782 30.662 31.823 -0.631 0.000 0.654 118 V HN 0.351 nan 8.190 nan 0.000 0.451 119 Q N 0.590 120.320 119.800 -0.117 0.000 2.084 119 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 119 Q C 2.117 178.058 176.000 -0.098 0.000 0.978 119 Q CA 2.249 58.007 55.803 -0.075 0.000 0.844 119 Q CB -0.604 28.115 28.738 -0.032 0.000 0.898 119 Q HN 0.599 nan 8.270 nan 0.000 0.426 120 A N -0.750 121.979 122.820 -0.152 0.000 1.933 120 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 120 A C 2.300 179.868 177.584 -0.027 0.000 1.175 120 A CA 1.746 53.676 52.037 -0.177 0.000 0.628 120 A CB -0.673 18.057 19.000 -0.449 0.000 0.814 120 A HN 0.415 nan 8.150 nan 0.000 0.444 121 S N -0.146 115.511 115.700 -0.072 0.000 2.383 121 S HA -0.052 4.417 4.470 -0.001 0.000 0.227 121 S C 1.813 176.396 174.600 -0.028 0.000 1.026 121 S CA 1.286 59.457 58.200 -0.048 0.000 0.981 121 S CB -0.407 62.736 63.200 -0.096 0.000 0.818 121 S HN 0.513 nan 8.310 nan 0.000 0.472 122 L N 0.962 122.156 121.223 -0.048 0.000 2.046 122 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 122 L C 2.307 179.174 176.870 -0.005 0.000 1.077 122 L CA 0.930 55.755 54.840 -0.025 0.000 0.747 122 L CB -0.619 41.422 42.059 -0.030 0.000 0.896 122 L HN 0.205 nan 8.230 nan 0.000 0.432 123 V N -0.097 119.812 119.914 -0.009 0.000 2.427 123 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 123 V C 2.727 178.839 176.094 0.030 0.000 1.051 123 V CA 1.578 63.881 62.300 0.004 0.000 1.048 123 V CB -0.799 31.016 31.823 -0.014 0.000 0.666 123 V HN 0.461 nan 8.190 nan 0.000 0.456 124 A N 0.240 123.089 122.820 0.050 0.000 1.908 124 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 124 A C 2.448 180.058 177.584 0.045 0.000 1.181 124 A CA 2.180 54.262 52.037 0.075 0.000 0.627 124 A CB -0.777 18.286 19.000 0.105 0.000 0.818 124 A HN 0.565 nan 8.150 nan 0.000 0.445 125 A N -0.139 122.695 122.820 0.024 0.000 1.877 125 A HA 0.125 4.444 4.320 -0.001 0.000 0.216 125 A C 2.532 180.139 177.584 0.038 0.000 1.186 125 A CA 2.278 54.326 52.037 0.018 0.000 0.620 125 A CB -1.090 17.916 19.000 0.011 0.000 0.822 125 A HN 1.110 nan 8.150 nan 0.000 0.443 126 A N -0.323 122.518 122.820 0.036 0.000 1.902 126 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 126 A C 2.246 179.863 177.584 0.055 0.000 1.181 126 A CA 1.515 53.576 52.037 0.040 0.000 0.623 126 A CB -0.440 18.577 19.000 0.028 0.000 0.818 126 A HN 0.564 nan 8.150 nan 0.000 0.443 127 R N -0.574 119.961 120.500 0.059 0.000 2.092 127 R HA 0.001 4.340 4.340 -0.001 0.000 0.231 127 R C 2.406 178.768 176.300 0.103 0.000 1.119 127 R CA 1.055 57.199 56.100 0.072 0.000 0.970 127 R CB -0.407 29.937 30.300 0.072 0.000 0.864 127 R HN 0.495 nan 8.270 nan 0.000 0.440 128 A N 1.392 124.284 122.820 0.120 0.000 1.969 128 A HA -0.014 4.305 4.320 -0.001 0.000 0.218 128 A C 1.128 178.866 177.584 0.258 0.000 1.169 128 A CA 0.614 52.776 52.037 0.208 0.000 0.635 128 A CB -0.291 18.790 19.000 0.134 0.000 0.810 128 A HN 0.107 nan 8.150 nan 0.000 0.445 129 L N 0.979 122.304 121.223 0.170 0.000 2.426 129 L HA 0.203 4.543 4.340 -0.001 0.000 0.271 129 L C 0.945 177.890 176.870 0.124 0.000 1.169 129 L CA -0.662 54.276 54.840 0.163 0.000 0.836 129 L CB 0.688 42.818 42.059 0.118 0.000 1.112 129 L HN 0.530 nan 8.230 nan 0.000 0.465 130 R N 2.499 123.070 120.500 0.118 0.000 2.707 130 R HA 0.316 4.655 4.340 -0.001 0.000 0.270 130 R C -0.101 176.249 176.300 0.084 0.000 1.083 130 R CA -0.878 55.271 56.100 0.081 0.000 1.182 130 R CB 0.391 30.731 30.300 0.066 0.000 1.084 130 R HN 0.380 nan 8.270 nan 0.000 0.528 131 M N 1.680 121.318 119.600 0.064 0.000 2.251 131 M HA 0.136 4.615 4.480 -0.001 0.000 0.343 131 M C 1.040 177.389 176.300 0.080 0.000 1.245 131 M CA 1.819 57.156 55.300 0.061 0.000 1.061 131 M CB 0.371 32.998 32.600 0.045 0.000 1.723 131 M HN 0.956 nan 8.290 nan 0.000 0.449 132 G N 2.733 111.584 108.800 0.085 0.000 2.199 132 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.254 132 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.254 132 G C 0.452 175.466 174.900 0.190 0.000 0.982 132 G CA 0.154 45.325 45.100 0.118 0.000 0.632 132 G HN 1.222 nan 8.290 nan 0.000 0.529 133 G N -0.555 108.353 108.800 0.180 0.000 2.684 133 G HA2 0.561 4.520 3.960 -0.001 0.000 0.255 133 G HA3 0.561 4.520 3.960 -0.001 0.000 0.255 133 G C 0.092 175.031 174.900 0.066 0.000 1.219 133 G CA -0.195 45.051 45.100 0.243 0.000 0.901 133 G HN 0.569 nan 8.290 nan 0.000 0.548 134 R N -1.200 119.294 120.500 -0.009 0.000 2.807 134 R HA 0.539 4.878 4.340 -0.001 0.000 0.276 134 R C -1.526 174.699 176.300 -0.124 0.000 0.979 134 R CA -0.882 55.091 56.100 -0.211 0.000 0.928 134 R CB 2.159 32.097 30.300 -0.603 0.000 1.191 134 R HN 0.362 nan 8.270 nan 0.000 0.471 135 L N 1.877 123.005 121.223 -0.159 0.000 2.349 135 L HA 0.433 4.772 4.340 -0.001 0.000 0.278 135 L C -1.666 175.111 176.870 -0.155 0.000 0.996 135 L CA -0.509 54.281 54.840 -0.083 0.000 0.825 135 L CB 1.154 43.203 42.059 -0.017 0.000 1.243 135 L HN 0.462 nan 8.230 nan 0.000 0.412 136 Y N 5.455 125.746 120.300 -0.015 0.000 2.350 136 Y HA 0.551 5.101 4.550 -0.001 0.000 0.340 136 Y C -0.385 175.507 175.900 -0.014 0.000 1.006 136 Y CA -0.042 58.043 58.100 -0.025 0.000 1.166 136 Y CB 1.526 39.965 38.460 -0.036 0.000 1.168 136 Y HN 0.549 nan 8.280 nan 0.000 0.502 137 L N 4.004 125.316 121.223 0.148 0.000 2.349 137 L HA 0.862 5.202 4.340 -0.001 0.000 0.278 137 L C -0.805 176.174 176.870 0.183 0.000 0.996 137 L CA -0.465 54.453 54.840 0.131 0.000 0.825 137 L CB 1.043 43.166 42.059 0.106 0.000 1.243 137 L HN 0.630 nan 8.230 nan 0.000 0.412 138 A N 3.118 126.023 122.820 0.143 0.000 2.365 138 A HA 1.007 5.326 4.320 -0.001 0.000 0.318 138 A C -0.195 177.487 177.584 0.163 0.000 1.091 138 A CA 0.202 52.290 52.037 0.085 0.000 0.763 138 A CB 1.529 20.501 19.000 -0.047 0.000 1.248 138 A HN 0.992 nan 8.150 nan 0.000 0.442 139 G N -0.134 108.731 108.800 0.108 0.000 2.570 139 G HA2 0.517 4.476 3.960 -0.001 0.000 0.310 139 G HA3 0.517 4.476 3.960 -0.001 0.000 0.310 139 G C -2.255 172.716 174.900 0.118 0.000 1.266 139 G CA -0.131 45.117 45.100 0.247 0.000 0.825 139 G HN 0.746 nan 8.290 nan 0.000 0.483 140 D N -0.585 119.949 120.400 0.223 0.000 2.696 140 D HA 0.364 5.004 4.640 -0.001 0.000 0.251 140 D C 0.829 177.197 176.300 0.114 0.000 1.188 140 D CA -0.604 53.468 54.000 0.119 0.000 0.876 140 D CB 2.216 43.143 40.800 0.212 0.000 1.334 140 D HN 0.319 nan 8.370 nan 0.000 0.540 141 K N 1.890 122.289 120.400 -0.002 0.000 2.211 141 K HA -0.114 4.205 4.320 -0.001 0.000 0.204 141 K C 1.031 177.651 176.600 0.033 0.000 1.047 141 K CA 1.193 57.519 56.287 0.065 0.000 0.935 141 K CB 0.057 32.554 32.500 -0.005 0.000 0.728 141 K HN 0.446 nan 8.250 nan 0.000 0.452 142 N N 0.386 119.080 118.700 -0.011 0.000 2.494 142 N HA -0.051 4.688 4.740 -0.001 0.000 0.182 142 N C -0.063 175.472 175.510 0.041 0.000 1.076 142 N CA 0.576 53.626 53.050 0.001 0.000 0.908 142 N CB 0.291 38.765 38.487 -0.022 0.000 0.967 142 N HN 0.027 nan 8.380 nan 0.000 0.449 143 K N -0.142 120.310 120.400 0.087 0.000 3.237 143 K HA 0.259 4.578 4.320 -0.001 0.000 0.197 143 K C 0.111 176.810 176.600 0.165 0.000 1.133 143 K CA -0.199 56.165 56.287 0.127 0.000 0.944 143 K CB 1.166 33.764 32.500 0.162 0.000 0.952 143 K HN 0.097 nan 8.250 nan 0.000 0.515 144 G N 0.972 109.800 108.800 0.046 0.000 2.162 144 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.260 144 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.260 144 G C 0.590 175.436 174.900 -0.090 0.000 0.976 144 G CA 0.318 45.316 45.100 -0.170 0.000 0.655 144 G HN 0.510 nan 8.290 nan 0.000 0.533 145 F N 1.558 121.533 119.950 0.042 0.000 2.091 145 F HA -0.104 4.423 4.527 -0.001 0.000 0.299 145 F C 2.418 178.293 175.800 0.125 0.000 1.103 145 F CA 2.561 60.635 58.000 0.123 0.000 1.228 145 F CB 0.080 39.127 39.000 0.079 0.000 0.984 145 F HN 0.254 nan 8.300 nan 0.000 0.477 146 E N 0.304 120.536 120.200 0.053 0.000 2.077 146 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 146 E C 2.345 178.865 176.600 -0.133 0.000 0.989 146 E CA 1.357 57.753 56.400 -0.006 0.000 0.800 146 E CB -0.629 29.121 29.700 0.084 0.000 0.746 146 E HN 0.509 nan 8.360 nan 0.000 0.452 147 R N 0.062 120.444 120.500 -0.197 0.000 2.073 147 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 147 R C 2.138 178.319 176.300 -0.199 0.000 1.134 147 R CA 1.352 57.300 56.100 -0.253 0.000 0.952 147 R CB -0.258 29.819 30.300 -0.372 0.000 0.850 147 R HN 0.126 nan 8.270 nan 0.000 0.433 148 Y N -0.502 119.740 120.300 -0.098 0.000 2.314 148 Y HA -0.109 4.441 4.550 -0.001 0.000 0.293 148 Y C 1.967 177.795 175.900 -0.120 0.000 1.129 148 Y CA 0.577 58.622 58.100 -0.092 0.000 1.201 148 Y CB -0.702 37.725 38.460 -0.054 0.000 0.999 148 Y HN 0.110 nan 8.280 nan 0.000 0.541 149 F N 1.462 121.204 119.950 -0.347 0.000 2.186 149 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 149 F C 2.263 177.927 175.800 -0.227 0.000 1.090 149 F CA 1.530 59.270 58.000 -0.434 0.000 1.307 149 F CB -0.523 37.952 39.000 -0.875 0.000 1.019 149 F HN -0.011 nan 8.300 nan 0.000 0.489 150 K N 0.123 120.348 120.400 -0.290 0.000 2.057 150 K HA -0.252 4.067 4.320 -0.001 0.000 0.207 150 K C 2.132 178.620 176.600 -0.187 0.000 1.049 150 K CA 1.720 57.818 56.287 -0.314 0.000 0.931 150 K CB -0.270 32.100 32.500 -0.216 0.000 0.714 150 K HN 0.228 nan 8.250 nan 0.000 0.440 151 E N 0.593 120.743 120.200 -0.084 0.000 2.072 151 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 151 E C 1.645 178.227 176.600 -0.030 0.000 0.985 151 E CA 1.541 57.924 56.400 -0.029 0.000 0.801 151 E CB -0.260 29.468 29.700 0.046 0.000 0.750 151 E HN 0.388 nan 8.360 nan 0.000 0.452 152 A N 0.761 123.575 122.820 -0.009 0.000 1.908 152 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 152 A C 2.244 179.808 177.584 -0.033 0.000 1.181 152 A CA 1.739 53.783 52.037 0.012 0.000 0.627 152 A CB -0.514 18.541 19.000 0.091 0.000 0.818 152 A HN 0.218 nan 8.150 nan 0.000 0.445 153 R N -0.716 119.707 120.500 -0.128 0.000 2.096 153 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 153 R C 2.452 178.689 176.300 -0.105 0.000 1.127 153 R CA 1.152 57.150 56.100 -0.169 0.000 0.968 153 R CB -0.407 29.680 30.300 -0.355 0.000 0.861 153 R HN 0.526 nan 8.270 nan 0.000 0.440 154 A N 0.915 123.676 122.820 -0.098 0.000 1.930 154 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 154 A C 2.103 179.666 177.584 -0.035 0.000 1.175 154 A CA 1.034 53.033 52.037 -0.064 0.000 0.627 154 A CB -0.361 18.602 19.000 -0.061 0.000 0.815 154 A HN 0.172 nan 8.150 nan 0.000 0.443 155 L N -1.317 119.890 121.223 -0.026 0.000 2.156 155 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 155 L C 2.305 179.174 176.870 -0.002 0.000 1.095 155 L CA 0.854 55.688 54.840 -0.010 0.000 0.770 155 L CB -0.218 41.840 42.059 -0.002 0.000 0.914 155 L HN 0.359 nan 8.230 nan 0.000 0.439 156 L N -2.410 118.810 121.223 -0.004 0.000 2.541 156 L HA 0.415 4.754 4.340 -0.001 0.000 0.187 156 L C 1.093 177.972 176.870 0.014 0.000 1.098 156 L CA 0.537 55.382 54.840 0.009 0.000 0.846 156 L CB 0.166 42.234 42.059 0.014 0.000 1.151 156 L HN 0.314 nan 8.230 nan 0.000 0.492 157 G N -1.483 107.321 108.800 0.008 0.000 2.292 157 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.194 157 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.194 157 G C -1.596 173.334 174.900 0.051 0.000 1.329 157 G CA -0.419 44.701 45.100 0.034 0.000 1.100 157 G HN -0.068 nan 8.290 nan 0.000 0.470 158 Y N 2.260 122.544 120.300 -0.027 0.000 2.717 158 Y HA 0.413 4.963 4.550 -0.002 0.000 0.330 158 Y C 0.674 176.578 175.900 0.006 0.000 1.217 158 Y CA 1.265 59.354 58.100 -0.019 0.000 1.506 158 Y CB 0.523 38.973 38.460 -0.016 0.000 1.268 158 Y HN 1.079 nan 8.280 nan 0.000 0.561 159 G N 4.717 113.190 108.800 -0.544 0.000 2.667 159 G HA2 0.554 4.513 3.960 -0.001 0.000 0.298 159 G HA3 0.554 4.513 3.960 -0.001 0.000 0.298 159 G C -2.222 172.471 174.900 -0.346 0.000 1.377 159 G CA -0.660 44.267 45.100 -0.288 0.000 0.964 159 G HN 0.828 nan 8.290 nan 0.000 0.493 160 V N 1.877 121.732 119.914 -0.098 0.000 2.932 160 V HA 0.564 4.683 4.120 -0.001 0.000 0.307 160 V C -0.497 175.608 176.094 0.018 0.000 1.147 160 V CA -0.647 61.649 62.300 -0.005 0.000 0.951 160 V CB 2.130 33.894 31.823 -0.098 0.000 1.031 160 V HN 0.720 nan 8.190 nan 0.000 0.426 161 V N 6.806 126.737 119.914 0.028 0.000 2.529 161 V HA 0.102 4.222 4.120 -0.001 0.000 0.292 161 V C 1.133 177.220 176.094 -0.012 0.000 1.028 161 V CA 1.063 63.329 62.300 -0.057 0.000 1.074 161 V CB 1.268 33.080 31.823 -0.018 0.000 0.958 161 V HN 1.001 nan 8.190 nan 0.000 0.481 162 V N 2.201 122.105 119.914 -0.016 0.000 3.605 162 V HA 0.556 4.675 4.120 -0.001 0.000 0.284 162 V C 0.410 176.509 176.094 0.008 0.000 1.386 162 V CA -0.006 62.308 62.300 0.024 0.000 1.053 162 V CB 0.127 31.995 31.823 0.074 0.000 0.857 162 V HN 0.727 nan 8.190 nan 0.000 0.436 163 R N 1.404 121.886 120.500 -0.031 0.000 2.604 163 R HA 0.668 5.008 4.340 -0.001 0.000 0.261 163 R C -1.279 174.974 176.300 -0.079 0.000 1.080 163 R CA -0.462 55.612 56.100 -0.043 0.000 0.917 163 R CB 1.577 31.851 30.300 -0.043 0.000 1.252 163 R HN 0.640 nan 8.270 nan 0.000 0.456 164 R N 1.174 121.640 120.500 -0.057 0.000 2.626 164 R HA 0.739 5.079 4.340 -0.001 0.000 0.274 164 R C -1.410 174.875 176.300 -0.024 0.000 1.031 164 R CA -1.029 55.031 56.100 -0.067 0.000 0.898 164 R CB 2.336 32.594 30.300 -0.070 0.000 1.222 164 R HN 0.460 nan 8.270 nan 0.000 0.455 165 E N 1.573 121.775 120.200 0.004 0.000 2.367 165 E HA 0.377 4.726 4.350 -0.001 0.000 0.292 165 E C 0.231 176.877 176.600 0.077 0.000 0.900 165 E CA 0.631 57.062 56.400 0.052 0.000 0.807 165 E CB 1.395 31.143 29.700 0.080 0.000 1.337 165 E HN 0.983 nan 8.360 nan 0.000 0.394 166 G N 5.497 114.303 108.800 0.011 0.000 2.611 166 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.301 166 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.301 166 G C -1.252 173.531 174.900 -0.195 0.000 1.233 166 G CA 0.161 45.221 45.100 -0.066 0.000 0.993 166 G HN 0.614 nan 8.290 nan 0.000 0.553 167 P HA 0.197 nan 4.420 nan 0.000 0.249 167 P C -0.230 176.747 177.300 -0.540 0.000 1.229 167 P CA 0.543 63.354 63.100 -0.482 0.000 0.788 167 P CB 0.064 31.416 31.700 -0.579 0.000 1.072 168 Y N 0.774 120.996 120.300 -0.129 0.000 2.310 168 Y HA 0.490 5.039 4.550 -0.001 0.000 0.326 168 Y C 1.278 176.988 175.900 -0.315 0.000 1.151 168 Y CA -0.376 57.608 58.100 -0.193 0.000 1.195 168 Y CB 0.816 39.203 38.460 -0.121 0.000 1.210 168 Y HN -0.267 nan 8.280 nan 0.000 0.483 169 R N 1.285 121.554 120.500 -0.386 0.000 2.725 169 R HA 0.704 5.043 4.340 -0.001 0.000 0.277 169 R C -1.778 174.218 176.300 -0.506 0.000 0.987 169 R CA -1.103 54.606 56.100 -0.650 0.000 0.901 169 R CB 2.210 31.592 30.300 -1.529 0.000 1.207 169 R HN 0.481 nan 8.270 nan 0.000 0.463 170 V N 1.251 120.989 119.914 -0.294 0.000 2.540 170 V HA 0.760 4.879 4.120 -0.001 0.000 0.302 170 V C -0.155 175.881 176.094 -0.097 0.000 1.035 170 V CA -0.896 61.329 62.300 -0.124 0.000 0.873 170 V CB 1.743 33.539 31.823 -0.045 0.000 0.992 170 V HN 0.908 nan 8.190 nan 0.000 0.428 171 A N 4.270 127.056 122.820 -0.056 0.000 2.354 171 A HA 0.964 5.283 4.320 -0.001 0.000 0.321 171 A C -1.352 176.195 177.584 -0.062 0.000 1.125 171 A CA -0.646 51.288 52.037 -0.172 0.000 0.799 171 A CB 1.636 20.232 19.000 -0.674 0.000 1.293 171 A HN 0.759 nan 8.150 nan 0.000 0.452 172 L N 1.190 122.351 121.223 -0.103 0.000 2.341 172 L HA 0.790 5.129 4.340 -0.001 0.000 0.278 172 L C -1.354 175.449 176.870 -0.113 0.000 1.005 172 L CA -0.323 54.383 54.840 -0.223 0.000 0.818 172 L CB 1.232 43.108 42.059 -0.306 0.000 1.259 172 L HN 0.602 nan 8.230 nan 0.000 0.418 173 L N 3.510 124.662 121.223 -0.118 0.000 2.354 173 L HA 0.634 4.974 4.340 -0.001 0.000 0.264 173 L C -0.494 176.341 176.870 -0.059 0.000 1.008 173 L CA -0.463 54.359 54.840 -0.029 0.000 0.819 173 L CB 1.945 44.022 42.059 0.030 0.000 1.339 173 L HN 0.577 nan 8.230 nan 0.000 0.420 174 E N 1.496 121.704 120.200 0.013 0.000 2.199 174 E HA 0.277 4.626 4.350 -0.001 0.000 0.269 174 E C -1.078 175.534 176.600 0.021 0.000 0.899 174 E CA -0.887 55.508 56.400 -0.008 0.000 0.772 174 E CB 1.596 31.310 29.700 0.022 0.000 1.155 174 E HN 0.473 nan 8.360 nan 0.000 0.408 175 K N 3.746 124.158 120.400 0.020 0.000 2.338 175 K HA 0.054 4.373 4.320 -0.001 0.000 0.290 175 K C 0.020 176.643 176.600 0.038 0.000 1.069 175 K CA 0.386 56.693 56.287 0.034 0.000 0.941 175 K CB 0.475 33.003 32.500 0.047 0.000 1.023 175 K HN 0.557 nan 8.250 nan 0.000 0.477 176 E N 3.744 123.964 120.200 0.034 0.000 2.562 176 E HA 0.024 4.373 4.350 -0.001 0.000 0.214 176 E C -0.618 175.996 176.600 0.025 0.000 0.979 176 E CA -0.018 56.400 56.400 0.031 0.000 1.002 176 E CB 0.727 30.447 29.700 0.033 0.000 1.048 176 E HN 0.565 nan 8.360 nan 0.000 0.488 177 K N 0.389 120.804 120.400 0.024 0.000 2.533 177 K HA 0.444 4.763 4.320 -0.001 0.000 0.272 177 K C -0.883 175.729 176.600 0.021 0.000 0.985 177 K CA -0.873 55.425 56.287 0.019 0.000 0.876 177 K CB 1.886 34.394 32.500 0.013 0.000 1.452 177 K HN -0.320 nan 8.250 nan 0.000 0.439 178 E N 0.918 121.130 120.200 0.019 0.000 2.392 178 E HA 0.264 4.613 4.350 -0.001 0.000 0.264 178 E C -0.689 175.922 176.600 0.019 0.000 1.024 178 E CA 0.282 56.694 56.400 0.021 0.000 0.903 178 E CB 1.019 30.730 29.700 0.018 0.000 0.963 178 E HN 0.651 nan 8.360 nan 0.000 0.432 179 A N 5.426 128.261 122.820 0.024 0.000 2.371 179 A HA 0.451 4.770 4.320 -0.001 0.000 0.257 179 A C -1.954 175.640 177.584 0.017 0.000 1.089 179 A CA -1.090 50.960 52.037 0.022 0.000 0.794 179 A CB -0.184 18.835 19.000 0.032 0.000 1.029 179 A HN 0.586 nan 8.150 nan 0.000 0.488 180 P HA 0.421 nan 4.420 nan 0.000 0.277 180 P C -2.752 174.553 177.300 0.007 0.000 1.271 180 P CA -1.350 61.754 63.100 0.006 0.000 0.795 180 P CB -0.570 31.129 31.700 -0.002 0.000 1.101 181 P HA 0.182 nan 4.420 nan 0.000 0.272 181 P C -0.026 177.267 177.300 -0.011 0.000 1.230 181 P CA -0.177 62.925 63.100 0.003 0.000 0.788 181 P CB 0.239 31.939 31.700 0.000 0.000 0.949 182 L N 2.891 124.106 121.223 -0.013 0.000 2.514 182 L HA 0.091 4.430 4.340 -0.001 0.000 0.280 182 L C -1.579 175.242 176.870 -0.082 0.000 1.223 182 L CA -1.285 53.523 54.840 -0.054 0.000 0.864 182 L CB -0.657 41.363 42.059 -0.064 0.000 1.118 182 L HN 0.343 nan 8.230 nan 0.000 0.494 183 P HA 0.028 nan 4.420 nan 0.000 0.272 183 P C -0.537 176.676 177.300 -0.145 0.000 1.240 183 P CA -0.495 62.534 63.100 -0.118 0.000 0.791 183 P CB 0.584 32.203 31.700 -0.135 0.000 0.978 184 S N 0.218 115.860 115.700 -0.097 0.000 2.537 184 S HA 0.085 4.554 4.470 -0.001 0.000 0.286 184 S C 0.963 175.476 174.600 -0.145 0.000 1.299 184 S CA -0.175 57.979 58.200 -0.076 0.000 1.067 184 S CB -0.627 62.557 63.200 -0.026 0.000 0.864 184 S HN 0.324 nan 8.310 nan 0.000 0.494 185 L N 3.596 124.714 121.223 -0.175 0.000 2.500 185 L HA 0.366 4.705 4.340 -0.001 0.000 0.219 185 L C 0.128 176.838 176.870 -0.267 0.000 1.057 185 L CA -0.250 54.374 54.840 -0.360 0.000 0.854 185 L CB 0.041 41.696 42.059 -0.673 0.000 1.078 185 L HN 0.574 nan 8.230 nan 0.000 0.480 186 W N 1.238 122.490 121.300 -0.080 0.000 2.315 186 W HA 0.452 5.112 4.660 -0.002 0.000 0.316 186 W C 0.432 176.891 176.519 -0.099 0.000 1.211 186 W CA -0.174 57.142 57.345 -0.049 0.000 1.201 186 W CB 0.785 30.247 29.460 0.004 0.000 1.184 186 W HN -0.155 nan 8.180 nan 0.000 0.544 187 R N 1.910 122.447 120.500 0.062 0.000 2.892 187 R HA 0.905 5.244 4.340 -0.001 0.000 0.265 187 R C -0.851 175.320 176.300 -0.214 0.000 1.025 187 R CA -1.071 54.955 56.100 -0.123 0.000 0.982 187 R CB 1.973 32.119 30.300 -0.258 0.000 1.185 187 R HN 0.512 nan 8.270 nan 0.000 0.484 188 A N 1.563 124.269 122.820 -0.190 0.000 2.539 188 A HA 0.772 5.092 4.320 -0.001 0.000 0.296 188 A C -1.465 176.085 177.584 -0.057 0.000 1.073 188 A CA -0.663 51.168 52.037 -0.342 0.000 0.700 188 A CB 1.183 19.824 19.000 -0.597 0.000 1.296 188 A HN 0.642 nan 8.150 nan 0.000 0.405 189 F N -0.664 119.200 119.950 -0.143 0.000 2.645 189 F HA 0.834 5.360 4.527 -0.001 0.000 0.310 189 F C -0.460 175.371 175.800 0.051 0.000 1.102 189 F CA -0.733 57.255 58.000 -0.019 0.000 0.952 189 F CB 1.304 40.326 39.000 0.036 0.000 1.326 189 F HN 0.364 nan 8.300 nan 0.000 0.456 190 S N 1.215 117.027 115.700 0.186 0.000 2.549 190 S HA 0.933 5.402 4.470 -0.001 0.000 0.297 190 S C -0.687 174.102 174.600 0.316 0.000 1.115 190 S CA -0.374 57.896 58.200 0.118 0.000 1.059 190 S CB 1.521 64.757 63.200 0.061 0.000 1.046 190 S HN 1.074 nan 8.310 nan 0.000 0.506 191 A N 2.177 125.178 122.820 0.302 0.000 2.549 191 A HA 0.729 5.048 4.320 -0.001 0.000 0.297 191 A C -0.800 176.972 177.584 0.314 0.000 1.061 191 A CA -0.797 51.469 52.037 0.381 0.000 0.690 191 A CB 1.285 20.640 19.000 0.592 0.000 1.287 191 A HN 0.750 nan 8.150 nan 0.000 0.402 192 R N 1.884 122.533 120.500 0.248 0.000 2.229 192 R HA 0.664 5.003 4.340 -0.001 0.000 0.332 192 R C -1.514 174.934 176.300 0.246 0.000 0.989 192 R CA -0.277 55.950 56.100 0.213 0.000 0.842 192 R CB 0.361 30.736 30.300 0.126 0.000 1.119 192 R HN 0.655 nan 8.270 nan 0.000 0.456 193 I N 6.076 126.845 120.570 0.332 0.000 2.418 193 I HA 0.185 4.354 4.170 -0.001 0.000 0.287 193 I C 0.315 176.572 176.117 0.233 0.000 1.008 193 I CA -0.831 60.625 61.300 0.261 0.000 1.104 193 I CB 1.871 40.000 38.000 0.215 0.000 1.264 193 I HN 0.707 nan 8.210 nan 0.000 0.438 194 L N 6.819 128.124 121.223 0.137 0.000 3.739 194 L HA -0.290 4.049 4.340 -0.001 0.000 0.442 194 L C 1.163 178.092 176.870 0.099 0.000 1.241 194 L CA 0.817 55.717 54.840 0.100 0.000 0.819 194 L CB -1.840 40.269 42.059 0.084 0.000 1.679 194 L HN 1.183 nan 8.230 nan 0.000 0.889 195 G N -1.963 106.891 108.800 0.090 0.000 2.159 195 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.256 195 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.256 195 G C 0.186 175.107 174.900 0.035 0.000 0.977 195 G CA 0.112 45.245 45.100 0.056 0.000 0.652 195 G HN 1.469 nan 8.290 nan 0.000 0.531 196 A N -0.387 122.469 122.820 0.060 0.000 2.401 196 A HA 0.775 5.095 4.320 -0.001 0.000 0.310 196 A C -0.273 177.217 177.584 -0.158 0.000 1.075 196 A CA -0.570 51.422 52.037 -0.075 0.000 0.746 196 A CB 1.312 20.246 19.000 -0.111 0.000 1.277 196 A HN 0.147 nan 8.150 nan 0.000 0.425 197 E N 0.873 120.878 120.200 -0.325 0.000 2.227 197 E HA 0.474 4.823 4.350 -0.001 0.000 0.282 197 E C -1.605 174.645 176.600 -0.584 0.000 1.015 197 E CA 0.278 56.516 56.400 -0.270 0.000 0.823 197 E CB 1.154 30.755 29.700 -0.165 0.000 1.081 197 E HN 0.520 nan 8.360 nan 0.000 0.396 198 Y N -0.055 120.165 120.300 -0.133 0.000 2.477 198 Y HA 0.296 4.845 4.550 -0.001 0.000 0.347 198 Y C 0.234 175.883 175.900 -0.419 0.000 0.981 198 Y CA -0.816 57.074 58.100 -0.349 0.000 1.033 198 Y CB 2.214 40.321 38.460 -0.589 0.000 1.245 198 Y HN 0.131 nan 8.280 nan 0.000 0.455 199 T N 4.126 118.488 114.554 -0.320 0.000 2.809 199 T HA 0.459 4.808 4.350 -0.001 0.000 0.296 199 T C -0.827 173.607 174.700 -0.443 0.000 1.015 199 T CA -0.581 61.319 62.100 -0.333 0.000 0.954 199 T CB -0.218 68.559 68.868 -0.151 0.000 0.950 199 T HN 0.213 nan 8.240 nan 0.000 0.450 200 F N 2.281 121.938 119.950 -0.489 0.000 2.375 200 F HA 0.483 5.009 4.527 -0.001 0.000 0.333 200 F C 0.916 176.420 175.800 -0.492 0.000 1.104 200 F CA -0.505 57.229 58.000 -0.443 0.000 1.149 200 F CB 0.798 39.313 39.000 -0.809 0.000 1.190 200 F HN 0.531 nan 8.300 nan 0.000 0.533 201 H N -0.168 118.944 119.070 0.071 0.000 2.679 201 H HA 0.557 5.112 4.556 -0.001 0.000 0.360 201 H C -1.096 174.454 175.328 0.370 0.000 1.105 201 H CA -0.870 55.251 56.048 0.122 0.000 1.196 201 H CB 1.448 31.254 29.762 0.074 0.000 1.636 201 H HN 0.659 nan 8.280 nan 0.000 0.531 202 H N 0.481 119.855 119.070 0.506 0.000 3.064 202 H HA 0.478 5.033 4.556 -0.001 0.000 0.352 202 H C -1.598 173.755 175.328 0.042 0.000 1.260 202 H CA -0.966 55.281 56.048 0.331 0.000 1.160 202 H CB 0.571 30.422 29.762 0.148 0.000 1.879 202 H HN 0.409 nan 8.280 nan 0.000 0.544 203 L N 1.446 122.603 121.223 -0.110 0.000 2.469 203 L HA 0.484 4.823 4.340 -0.001 0.000 0.253 203 L C -2.011 174.936 176.870 0.129 0.000 1.143 203 L CA -2.154 52.515 54.840 -0.286 0.000 0.804 203 L CB 0.652 42.507 42.059 -0.339 0.000 1.214 203 L HN 0.534 nan 8.230 nan 0.000 0.476 204 P HA 0.145 nan 4.420 nan 0.000 0.272 204 P C 0.424 177.927 177.300 0.339 0.000 1.223 204 P CA 0.397 63.626 63.100 0.215 0.000 0.784 204 P CB 0.764 32.547 31.700 0.138 0.000 0.923 205 G N -0.031 108.886 108.800 0.194 0.000 2.195 205 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.246 205 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.246 205 G C 0.201 175.094 174.900 -0.012 0.000 0.984 205 G CA 0.119 45.229 45.100 0.016 0.000 0.633 205 G HN 0.692 nan 8.290 nan 0.000 0.525 206 V N -1.034 118.913 119.914 0.055 0.000 3.096 206 V HA 0.690 4.810 4.120 -0.001 0.000 0.306 206 V C 0.999 177.143 176.094 0.084 0.000 1.088 206 V CA -0.622 61.735 62.300 0.094 0.000 1.129 206 V CB 0.825 32.761 31.823 0.188 0.000 1.014 206 V HN 0.966 nan 8.190 nan 0.000 0.486 207 F N 3.355 123.290 119.950 -0.025 0.000 2.529 207 F HA 0.373 4.899 4.527 -0.001 0.000 0.365 207 F C 1.344 177.141 175.800 -0.004 0.000 1.102 207 F CA 1.095 59.064 58.000 -0.051 0.000 1.271 207 F CB 0.288 39.236 39.000 -0.086 0.000 1.120 207 F HN 1.110 nan 8.300 nan 0.000 0.579 208 S N 3.636 118.869 115.700 -0.777 0.000 3.628 208 S HA -0.193 4.277 4.470 -0.001 0.000 0.373 208 S C -0.027 174.449 174.600 -0.207 0.000 0.968 208 S CA 0.032 57.866 58.200 -0.611 0.000 1.215 208 S CB -1.692 61.042 63.200 -0.777 0.000 0.912 208 S HN 1.477 nan 8.310 nan 0.000 0.495 209 A N 0.828 123.489 122.820 -0.265 0.000 2.540 209 A HA 0.507 4.826 4.320 -0.001 0.000 0.239 209 A C 1.901 179.320 177.584 -0.276 0.000 1.061 209 A CA 0.644 52.438 52.037 -0.404 0.000 0.758 209 A CB -0.647 18.212 19.000 -0.234 0.000 0.991 209 A HN 2.330 nan 8.150 nan 0.000 0.502 210 G N 1.126 109.799 108.800 -0.211 0.000 2.225 210 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.254 210 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.254 210 G C 0.100 174.209 174.900 -1.318 0.000 0.988 210 G CA 0.884 45.691 45.100 -0.489 0.000 0.625 210 G HN 1.764 nan 8.290 nan 0.000 0.527 211 K N -1.118 118.484 120.400 -1.329 0.000 2.597 211 K HA 0.636 4.955 4.320 -0.001 0.000 0.282 211 K C -0.742 175.641 176.600 -0.361 0.000 0.975 211 K CA -0.941 54.757 56.287 -0.982 0.000 0.867 211 K CB 1.661 33.910 32.500 -0.418 0.000 1.465 211 K HN 0.328 nan 8.250 nan 0.000 0.417 212 V N 1.582 121.494 119.914 -0.004 0.000 2.521 212 V HA 0.001 4.121 4.120 -0.001 0.000 0.286 212 V C 0.153 176.234 176.094 -0.023 0.000 1.034 212 V CA -0.041 62.301 62.300 0.070 0.000 1.045 212 V CB 0.669 32.561 31.823 0.115 0.000 0.974 212 V HN 0.836 nan 8.190 nan 0.000 0.480 213 D N 6.304 126.676 120.400 -0.047 0.000 2.493 213 D HA 0.093 4.733 4.640 -0.001 0.000 0.240 213 D C -1.484 174.771 176.300 -0.074 0.000 1.142 213 D CA -0.939 53.021 54.000 -0.066 0.000 0.872 213 D CB 1.403 42.222 40.800 0.033 0.000 1.173 213 D HN 0.283 nan 8.370 nan 0.000 0.467 214 P HA -0.162 nan 4.420 nan 0.000 0.218 214 P C 0.761 177.886 177.300 -0.291 0.000 1.148 214 P CA 1.383 64.450 63.100 -0.056 0.000 0.822 214 P CB 0.101 31.904 31.700 0.173 0.000 0.784 215 A N -0.601 121.749 122.820 -0.783 0.000 1.902 215 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 215 A C 2.331 179.733 177.584 -0.303 0.000 1.181 215 A CA 2.193 53.730 52.037 -0.834 0.000 0.623 215 A CB -1.498 16.935 19.000 -0.944 0.000 0.818 215 A HN 0.143 nan 8.150 nan 0.000 0.443 216 S N 0.142 115.729 115.700 -0.189 0.000 2.368 216 S HA -0.122 4.347 4.470 -0.001 0.000 0.225 216 S C 1.823 176.369 174.600 -0.091 0.000 1.030 216 S CA 1.514 59.645 58.200 -0.114 0.000 0.999 216 S CB -0.541 62.614 63.200 -0.074 0.000 0.844 216 S HN 0.500 nan 8.310 nan 0.000 0.459 217 L N 0.637 121.820 121.223 -0.068 0.000 2.042 217 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 217 L C 2.425 179.278 176.870 -0.028 0.000 1.076 217 L CA 0.884 55.708 54.840 -0.026 0.000 0.749 217 L CB -0.557 41.508 42.059 0.010 0.000 0.893 217 L HN 0.257 nan 8.230 nan 0.000 0.432 218 L N -0.275 120.928 121.223 -0.033 0.000 2.046 218 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 218 L C 2.341 179.197 176.870 -0.024 0.000 1.077 218 L CA 1.484 56.322 54.840 -0.002 0.000 0.747 218 L CB -0.388 41.698 42.059 0.044 0.000 0.896 218 L HN 0.138 nan 8.230 nan 0.000 0.432 219 L N -1.410 119.777 121.223 -0.060 0.000 2.012 219 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 219 L C 2.373 179.159 176.870 -0.139 0.000 1.073 219 L CA 1.564 56.356 54.840 -0.079 0.000 0.748 219 L CB -0.212 41.786 42.059 -0.102 0.000 0.891 219 L HN 0.276 nan 8.230 nan 0.000 0.431 220 L N -0.529 120.620 121.223 -0.123 0.000 2.046 220 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 220 L C 2.526 179.331 176.870 -0.109 0.000 1.077 220 L CA 1.486 56.245 54.840 -0.135 0.000 0.747 220 L CB -0.575 41.434 42.059 -0.084 0.000 0.896 220 L HN 0.336 nan 8.230 nan 0.000 0.432 221 E N 0.165 120.330 120.200 -0.059 0.000 2.051 221 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 221 E C 2.311 178.886 176.600 -0.042 0.000 0.991 221 E CA 1.207 57.587 56.400 -0.032 0.000 0.799 221 E CB -0.197 29.502 29.700 -0.003 0.000 0.748 221 E HN 0.497 nan 8.360 nan 0.000 0.449 222 A N 1.318 124.115 122.820 -0.039 0.000 1.902 222 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 222 A C 2.192 179.747 177.584 -0.048 0.000 1.181 222 A CA 1.078 53.114 52.037 -0.003 0.000 0.623 222 A CB -0.626 18.415 19.000 0.068 0.000 0.818 222 A HN 0.280 nan 8.150 nan 0.000 0.443 223 L N -0.829 120.236 121.223 -0.264 0.000 2.027 223 L HA -0.220 4.119 4.340 -0.001 0.000 0.206 223 L C 2.736 179.474 176.870 -0.220 0.000 1.074 223 L CA 2.266 56.776 54.840 -0.551 0.000 0.745 223 L CB -0.358 41.169 42.059 -0.886 0.000 0.898 223 L HN 0.606 nan 8.230 nan 0.000 0.433 224 Q N -0.346 119.368 119.800 -0.143 0.000 2.119 224 Q HA -0.255 4.084 4.340 -0.001 0.000 0.201 224 Q C 1.971 177.952 176.000 -0.032 0.000 0.972 224 Q CA 1.875 57.638 55.803 -0.066 0.000 0.847 224 Q CB -0.027 28.687 28.738 -0.040 0.000 0.903 224 Q HN 0.617 nan 8.270 nan 0.000 0.433 225 E N -0.106 120.077 120.200 -0.029 0.000 2.077 225 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 225 E C 2.066 178.659 176.600 -0.012 0.000 0.989 225 E CA 1.185 57.576 56.400 -0.014 0.000 0.800 225 E CB -0.023 29.670 29.700 -0.011 0.000 0.746 225 E HN 0.184 nan 8.360 nan 0.000 0.452 226 R N 0.696 121.194 120.500 -0.002 0.000 2.062 226 R HA -0.046 4.294 4.340 -0.001 0.000 0.229 226 R C 1.942 178.257 176.300 0.025 0.000 1.128 226 R CA 1.167 57.266 56.100 -0.002 0.000 0.960 226 R CB -0.010 30.320 30.300 0.050 0.000 0.855 226 R HN 0.121 nan 8.270 nan 0.000 0.432 227 L N -0.621 120.633 121.223 0.052 0.000 2.513 227 L HA 0.380 4.719 4.340 -0.001 0.000 0.222 227 L C 0.731 177.623 176.870 0.035 0.000 1.096 227 L CA 0.065 54.945 54.840 0.066 0.000 0.857 227 L CB 0.042 42.161 42.059 0.099 0.000 1.026 227 L HN 0.519 nan 8.230 nan 0.000 0.469 228 G N 0.764 109.574 108.800 0.016 0.000 2.730 228 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.686 228 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.686 228 G C -2.229 172.678 174.900 0.011 0.000 1.343 228 G CA -0.378 44.729 45.100 0.013 0.000 0.826 228 G HN -0.032 nan 8.290 nan 0.000 0.582 229 P HA -0.003 nan 4.420 nan 0.000 0.220 229 P C 0.998 178.311 177.300 0.021 0.000 1.148 229 P CA 1.330 64.440 63.100 0.016 0.000 0.803 229 P CB 0.233 31.943 31.700 0.017 0.000 0.782 230 E N -0.673 119.540 120.200 0.022 0.000 2.479 230 E HA 0.108 4.457 4.350 -0.001 0.000 0.193 230 E C 1.960 178.580 176.600 0.033 0.000 1.049 230 E CA 0.241 56.657 56.400 0.026 0.000 0.870 230 E CB -0.578 29.136 29.700 0.024 0.000 0.944 230 E HN 0.266 nan 8.360 nan 0.000 0.492 231 G N 0.446 109.267 108.800 0.035 0.000 2.776 231 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.209 231 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.209 231 G C 1.406 176.342 174.900 0.060 0.000 1.145 231 G CA 0.197 45.327 45.100 0.049 0.000 0.791 231 G HN 0.162 nan 8.290 nan 0.000 0.530 232 V N -0.680 119.262 119.914 0.048 0.000 3.635 232 V HA 0.271 4.390 4.120 -0.001 0.000 0.266 232 V C 1.321 177.447 176.094 0.054 0.000 1.316 232 V CA -0.442 61.890 62.300 0.053 0.000 1.060 232 V CB 0.054 31.896 31.823 0.032 0.000 0.820 232 V HN 0.278 nan 8.190 nan 0.000 0.447 233 R N 0.646 121.174 120.500 0.046 0.000 2.522 233 R HA 0.298 4.637 4.340 -0.001 0.000 0.284 233 R C 1.349 177.676 176.300 0.045 0.000 1.032 233 R CA 1.198 57.323 56.100 0.043 0.000 1.049 233 R CB 0.154 30.475 30.300 0.035 0.000 0.956 233 R HN 0.436 nan 8.270 nan 0.000 0.422 234 G N 3.378 112.205 108.800 0.045 0.000 2.189 234 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.267 234 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.267 234 G C -0.079 174.852 174.900 0.051 0.000 0.975 234 G CA 0.158 45.283 45.100 0.043 0.000 0.644 234 G HN 0.511 nan 8.290 nan 0.000 0.537 235 R N 0.338 120.877 120.500 0.065 0.000 2.457 235 R HA 0.443 4.782 4.340 -0.001 0.000 0.284 235 R C 0.464 176.828 176.300 0.105 0.000 1.024 235 R CA -0.459 55.690 56.100 0.083 0.000 1.025 235 R CB 0.561 30.919 30.300 0.096 0.000 1.063 235 R HN 0.513 nan 8.270 nan 0.000 0.493 236 Q N 1.134 121.009 119.800 0.125 0.000 2.294 236 Q HA 0.325 4.664 4.340 -0.001 0.000 0.257 236 Q C -0.620 175.578 176.000 0.331 0.000 0.955 236 Q CA -0.279 55.643 55.803 0.198 0.000 0.936 236 Q CB 1.544 30.344 28.738 0.104 0.000 1.188 236 Q HN 0.203 nan 8.270 nan 0.000 0.420 237 V N 3.914 124.009 119.914 0.302 0.000 2.555 237 V HA 0.386 4.506 4.120 -0.001 0.000 0.302 237 V C -0.848 175.232 176.094 -0.023 0.000 1.038 237 V CA -0.879 61.520 62.300 0.166 0.000 0.887 237 V CB 1.756 33.629 31.823 0.083 0.000 0.991 237 V HN 0.553 nan 8.190 nan 0.000 0.434 238 L N 3.833 124.838 121.223 -0.363 0.000 2.296 238 L HA 0.666 5.006 4.340 -0.001 0.000 0.286 238 L C -0.620 176.062 176.870 -0.314 0.000 1.023 238 L CA 0.096 54.545 54.840 -0.652 0.000 0.812 238 L CB 1.555 42.831 42.059 -1.305 0.000 1.223 238 L HN 0.697 nan 8.230 nan 0.000 0.421 239 D N 5.257 125.510 120.400 -0.245 0.000 2.427 239 D HA 0.257 4.896 4.640 -0.001 0.000 0.226 239 D C -0.896 175.255 176.300 -0.249 0.000 1.076 239 D CA -0.140 53.753 54.000 -0.178 0.000 0.849 239 D CB 0.576 41.310 40.800 -0.109 0.000 1.052 239 D HN 0.511 nan 8.370 nan 0.000 0.515 240 L N 3.573 124.590 121.223 -0.344 0.000 2.325 240 L HA 0.433 4.773 4.340 -0.001 0.000 0.284 240 L C 1.284 177.833 176.870 -0.535 0.000 1.089 240 L CA -0.275 54.166 54.840 -0.665 0.000 0.836 240 L CB 1.035 42.421 42.059 -1.121 0.000 1.184 240 L HN 0.742 nan 8.230 nan 0.000 0.444 241 G N 2.769 111.404 108.800 -0.275 0.000 2.545 241 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.279 241 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.279 241 G C 0.733 175.609 174.900 -0.039 0.000 1.131 241 G CA 0.001 45.123 45.100 0.035 0.000 1.100 241 G HN 0.874 nan 8.290 nan 0.000 0.525 242 A N -0.041 122.752 122.820 -0.044 0.000 2.066 242 A HA 0.514 4.833 4.320 -0.001 0.000 0.218 242 A C 2.804 180.353 177.584 -0.059 0.000 1.157 242 A CA 2.050 54.056 52.037 -0.051 0.000 0.670 242 A CB -0.509 18.480 19.000 -0.017 0.000 0.804 242 A HN 2.807 nan 8.150 nan 0.000 0.453 243 G N -0.618 108.165 108.800 -0.028 0.000 2.574 243 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.282 243 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.282 243 G C 0.530 175.452 174.900 0.036 0.000 1.257 243 G CA 0.968 46.045 45.100 -0.039 0.000 0.956 243 G HN 1.421 nan 8.290 nan 0.000 0.560 244 Y N 0.103 120.495 120.300 0.154 0.000 2.578 244 Y HA 0.416 4.966 4.550 -0.001 0.000 0.297 244 Y C 1.858 177.902 175.900 0.239 0.000 1.176 244 Y CA 0.155 58.390 58.100 0.225 0.000 1.315 244 Y CB -0.519 38.123 38.460 0.302 0.000 1.031 244 Y HN 2.144 nan 8.280 nan 0.000 0.524 245 G N -0.386 108.446 108.800 0.052 0.000 2.151 245 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.156 245 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.156 245 G C 1.067 176.045 174.900 0.129 0.000 1.017 245 G CA -0.051 45.140 45.100 0.152 0.000 0.686 245 G HN 0.868 nan 8.290 nan 0.000 0.503 246 A N -0.444 122.239 122.820 -0.228 0.000 1.940 246 A HA 0.199 4.519 4.320 -0.001 0.000 0.219 246 A C 2.363 179.894 177.584 -0.089 0.000 1.176 246 A CA 1.917 53.792 52.037 -0.270 0.000 0.631 246 A CB -0.215 18.567 19.000 -0.362 0.000 0.814 246 A HN 0.859 nan 8.150 nan 0.000 0.446 247 L N -1.534 119.636 121.223 -0.089 0.000 2.253 247 L HA -0.035 4.304 4.340 -0.001 0.000 0.205 247 L C 2.640 179.488 176.870 -0.037 0.000 1.078 247 L CA 1.244 56.040 54.840 -0.074 0.000 0.805 247 L CB -0.873 41.132 42.059 -0.090 0.000 0.963 247 L HN 0.303 nan 8.230 nan 0.000 0.459 248 T N 0.738 115.291 114.554 -0.002 0.000 2.708 248 T HA -0.153 4.196 4.350 -0.001 0.000 0.266 248 T C 1.933 176.664 174.700 0.052 0.000 1.037 248 T CA 1.262 63.379 62.100 0.028 0.000 1.146 248 T CB -0.244 68.658 68.868 0.056 0.000 0.865 248 T HN 0.009 nan 8.240 nan 0.000 0.435 249 L N 1.214 122.488 121.223 0.085 0.000 1.994 249 L HA 0.026 4.365 4.340 -0.001 0.000 0.208 249 L C -0.573 176.306 176.870 0.014 0.000 1.071 249 L CA 1.932 56.816 54.840 0.072 0.000 0.745 249 L CB -1.545 40.562 42.059 0.079 0.000 0.892 249 L HN 0.173 nan 8.230 nan 0.000 0.431 250 P HA -0.157 nan 4.420 nan 0.000 0.215 250 P C 2.052 179.379 177.300 0.044 0.000 1.153 250 P CA 1.338 64.382 63.100 -0.094 0.000 0.853 250 P CB 0.028 31.610 31.700 -0.196 0.000 0.788 251 L N -1.217 120.010 121.223 0.008 0.000 2.083 251 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 251 L C 2.471 179.372 176.870 0.051 0.000 1.083 251 L CA 1.498 56.350 54.840 0.020 0.000 0.752 251 L CB -1.143 40.916 42.059 -0.001 0.000 0.899 251 L HN -0.043 nan 8.230 nan 0.000 0.433 252 A N 0.190 123.049 122.820 0.065 0.000 1.898 252 A HA -0.243 4.077 4.320 -0.001 0.000 0.216 252 A C 2.355 179.991 177.584 0.086 0.000 1.181 252 A CA 1.739 53.821 52.037 0.075 0.000 0.620 252 A CB -0.467 18.581 19.000 0.080 0.000 0.819 252 A HN 0.289 nan 8.150 nan 0.000 0.442 253 R N -0.277 120.299 120.500 0.128 0.000 2.096 253 R HA -0.005 4.334 4.340 -0.001 0.000 0.235 253 R C 1.816 178.170 176.300 0.090 0.000 1.127 253 R CA 1.969 58.149 56.100 0.132 0.000 0.968 253 R CB -0.544 29.905 30.300 0.247 0.000 0.861 253 R HN 0.541 nan 8.270 nan 0.000 0.440 254 M N -1.061 118.591 119.600 0.086 0.000 2.659 254 M HA 0.174 4.654 4.480 -0.001 0.000 0.243 254 M C 0.827 177.156 176.300 0.048 0.000 1.111 254 M CA 1.036 56.372 55.300 0.060 0.000 1.070 254 M CB 0.594 33.223 32.600 0.049 0.000 1.525 254 M HN 0.484 nan 8.290 nan 0.000 0.517 255 G N 0.321 109.152 108.800 0.051 0.000 2.144 255 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.218 255 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.218 255 G C 0.111 175.040 174.900 0.049 0.000 0.988 255 G CA -0.127 45.000 45.100 0.045 0.000 0.659 255 G HN 0.674 nan 8.290 nan 0.000 0.522 256 A N -0.034 122.819 122.820 0.054 0.000 2.351 256 A HA 0.635 4.954 4.320 -0.001 0.000 0.257 256 A C 0.492 178.117 177.584 0.068 0.000 1.087 256 A CA 0.488 52.563 52.037 0.063 0.000 0.798 256 A CB 0.469 19.507 19.000 0.063 0.000 1.033 256 A HN 0.629 nan 8.150 nan 0.000 0.488 257 E N 1.806 122.054 120.200 0.079 0.000 2.001 257 E HA 0.437 4.786 4.350 -0.001 0.000 0.279 257 E C -1.226 175.444 176.600 0.115 0.000 1.045 257 E CA -0.303 56.148 56.400 0.085 0.000 0.833 257 E CB 0.394 30.141 29.700 0.078 0.000 1.077 257 E HN 0.381 nan 8.360 nan 0.000 0.397 258 V N 4.750 124.722 119.914 0.096 0.000 2.483 258 V HA 0.306 4.425 4.120 -0.001 0.000 0.295 258 V C -0.109 176.039 176.094 0.091 0.000 1.035 258 V CA -0.834 61.519 62.300 0.087 0.000 0.896 258 V CB 1.745 33.600 31.823 0.054 0.000 0.986 258 V HN 0.421 nan 8.190 nan 0.000 0.447 259 V N 3.474 123.435 119.914 0.079 0.000 2.409 259 V HA 0.692 4.811 4.120 -0.001 0.000 0.291 259 V C 0.636 176.709 176.094 -0.036 0.000 1.020 259 V CA -0.342 61.992 62.300 0.058 0.000 0.848 259 V CB 1.675 33.583 31.823 0.142 0.000 0.990 259 V HN 0.986 nan 8.190 nan 0.000 0.430 260 G N 3.527 112.324 108.800 -0.006 0.000 2.343 260 G HA2 0.622 4.581 3.960 -0.001 0.000 0.319 260 G HA3 0.622 4.581 3.960 -0.001 0.000 0.319 260 G C -0.575 174.314 174.900 -0.018 0.000 1.126 260 G CA -0.444 44.639 45.100 -0.029 0.000 0.889 260 G HN 0.916 nan 8.290 nan 0.000 0.457 261 V N -0.064 119.813 119.914 -0.061 0.000 2.555 261 V HA 0.905 5.024 4.120 -0.001 0.000 0.302 261 V C -0.801 175.300 176.094 0.012 0.000 1.038 261 V CA -1.187 61.101 62.300 -0.019 0.000 0.887 261 V CB 1.646 33.436 31.823 -0.055 0.000 0.991 261 V HN 0.752 nan 8.190 nan 0.000 0.434 262 E N 2.273 122.529 120.200 0.093 0.000 2.311 262 E HA 0.337 4.686 4.350 -0.001 0.000 0.281 262 E C -0.324 176.414 176.600 0.231 0.000 0.905 262 E CA -0.247 56.234 56.400 0.136 0.000 0.778 262 E CB 2.191 31.960 29.700 0.114 0.000 1.240 262 E HN 0.798 nan 8.360 nan 0.000 0.410 263 D N 2.372 122.899 120.400 0.213 0.000 2.277 263 D HA -0.051 4.589 4.640 -0.001 0.000 0.208 263 D C -0.303 176.192 176.300 0.324 0.000 0.962 263 D CA 0.574 54.712 54.000 0.229 0.000 0.865 263 D CB 0.359 41.257 40.800 0.164 0.000 0.939 263 D HN 0.399 nan 8.370 nan 0.000 0.510 264 D N -0.240 120.290 120.400 0.218 0.000 2.317 264 D HA 0.029 4.668 4.640 -0.001 0.000 0.234 264 D C 1.091 177.383 176.300 -0.013 0.000 1.112 264 D CA -0.523 53.555 54.000 0.131 0.000 0.840 264 D CB 0.996 41.835 40.800 0.065 0.000 1.078 264 D HN -0.040 nan 8.370 nan 0.000 0.486 265 L N 5.024 126.133 121.223 -0.190 0.000 2.043 265 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 265 L C 1.977 178.765 176.870 -0.137 0.000 1.075 265 L CA 2.503 57.074 54.840 -0.448 0.000 0.752 265 L CB -0.796 41.048 42.059 -0.357 0.000 0.891 265 L HN 0.591 nan 8.230 nan 0.000 0.432 266 A N -1.705 121.104 122.820 -0.018 0.000 1.933 266 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 266 A C 2.381 180.035 177.584 0.116 0.000 1.175 266 A CA 1.980 54.066 52.037 0.083 0.000 0.628 266 A CB -0.877 18.242 19.000 0.197 0.000 0.814 266 A HN 0.549 nan 8.150 nan 0.000 0.444 267 S N -0.499 115.265 115.700 0.107 0.000 2.383 267 S HA -0.099 4.371 4.470 -0.001 0.000 0.227 267 S C 1.884 176.580 174.600 0.161 0.000 1.026 267 S CA 1.270 59.565 58.200 0.159 0.000 0.981 267 S CB -0.402 62.875 63.200 0.128 0.000 0.818 267 S HN 0.347 nan 8.310 nan 0.000 0.472 268 V N 2.350 122.314 119.914 0.084 0.000 2.295 268 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 268 V C 2.172 178.353 176.094 0.145 0.000 1.049 268 V CA 1.570 63.921 62.300 0.086 0.000 1.024 268 V CB -0.751 31.064 31.823 -0.013 0.000 0.648 268 V HN 0.423 nan 8.190 nan 0.000 0.447 269 L N -0.306 121.010 121.223 0.155 0.000 2.083 269 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 269 L C 2.622 179.762 176.870 0.450 0.000 1.083 269 L CA 1.514 56.517 54.840 0.272 0.000 0.752 269 L CB -0.644 41.586 42.059 0.286 0.000 0.899 269 L HN 0.301 nan 8.230 nan 0.000 0.433 270 S N 0.242 116.206 115.700 0.440 0.000 2.356 270 S HA -0.196 4.273 4.470 -0.001 0.000 0.223 270 S C 1.867 176.754 174.600 0.479 0.000 1.032 270 S CA 1.403 59.954 58.200 0.585 0.000 1.005 270 S CB -0.427 63.084 63.200 0.519 0.000 0.867 270 S HN 0.265 nan 8.310 nan 0.000 0.449 271 L N 1.937 123.381 121.223 0.369 0.000 2.042 271 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 271 L C 2.219 179.222 176.870 0.222 0.000 1.076 271 L CA 1.813 56.830 54.840 0.296 0.000 0.749 271 L CB -0.903 41.284 42.059 0.213 0.000 0.893 271 L HN 0.295 nan 8.230 nan 0.000 0.432 272 Q N -0.641 119.276 119.800 0.194 0.000 2.084 272 Q HA -0.274 4.065 4.340 -0.001 0.000 0.202 272 Q C 2.304 178.349 176.000 0.075 0.000 0.978 272 Q CA 2.045 57.924 55.803 0.126 0.000 0.844 272 Q CB -0.234 28.576 28.738 0.119 0.000 0.898 272 Q HN 0.530 nan 8.270 nan 0.000 0.426 273 K N 0.130 120.582 120.400 0.087 0.000 2.097 273 K HA -0.126 4.193 4.320 -0.001 0.000 0.206 273 K C 2.034 178.550 176.600 -0.141 0.000 1.049 273 K CA 1.357 57.573 56.287 -0.117 0.000 0.933 273 K CB -0.304 32.010 32.500 -0.310 0.000 0.717 273 K HN 0.257 nan 8.250 nan 0.000 0.442 274 G N 1.246 110.088 108.800 0.071 0.000 2.418 274 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 274 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 274 G C 1.465 176.392 174.900 0.044 0.000 1.158 274 G CA 0.777 45.948 45.100 0.119 0.000 0.771 274 G HN 0.211 nan 8.290 nan 0.000 0.545 275 L N 0.080 121.343 121.223 0.066 0.000 2.017 275 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 275 L C 2.921 179.787 176.870 -0.007 0.000 1.073 275 L CA 1.499 56.366 54.840 0.045 0.000 0.745 275 L CB -0.453 41.643 42.059 0.061 0.000 0.894 275 L HN 0.272 nan 8.230 nan 0.000 0.432 276 E N 0.048 120.223 120.200 -0.042 0.000 2.051 276 E HA -0.232 4.117 4.350 -0.001 0.000 0.192 276 E C 2.263 178.797 176.600 -0.110 0.000 0.991 276 E CA 1.250 57.604 56.400 -0.077 0.000 0.799 276 E CB -0.240 29.395 29.700 -0.108 0.000 0.748 276 E HN 0.505 nan 8.360 nan 0.000 0.449 277 A N 1.167 123.885 122.820 -0.171 0.000 2.015 277 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 277 A C 1.635 179.161 177.584 -0.097 0.000 1.163 277 A CA 1.044 52.968 52.037 -0.187 0.000 0.646 277 A CB -0.128 18.662 19.000 -0.351 0.000 0.806 277 A HN 0.148 nan 8.150 nan 0.000 0.448 278 N N -0.728 117.931 118.700 -0.069 0.000 2.230 278 N HA 0.276 5.015 4.740 -0.001 0.000 0.202 278 N C 0.492 175.976 175.510 -0.043 0.000 1.119 278 N CA 0.707 53.722 53.050 -0.057 0.000 0.851 278 N CB 0.429 38.898 38.487 -0.030 0.000 0.990 278 N HN 0.504 nan 8.380 nan 0.000 0.497 279 A N 0.895 123.691 122.820 -0.040 0.000 2.687 279 A HA -0.199 4.120 4.320 -0.001 0.000 0.299 279 A C -0.185 177.395 177.584 -0.007 0.000 1.497 279 A CA 0.745 52.765 52.037 -0.028 0.000 0.751 279 A CB -2.177 16.802 19.000 -0.035 0.000 1.048 279 A HN 0.321 nan 8.150 nan 0.000 0.464 280 L N -0.807 120.421 121.223 0.009 0.000 2.342 280 L HA 0.575 4.914 4.340 -0.001 0.000 0.271 280 L C 0.290 177.181 176.870 0.034 0.000 1.008 280 L CA -0.972 53.887 54.840 0.032 0.000 0.818 280 L CB 2.314 44.411 42.059 0.063 0.000 1.296 280 L HN 0.138 nan 8.230 nan 0.000 0.427 281 K N 1.298 121.721 120.400 0.039 0.000 2.292 281 K HA 0.929 5.248 4.320 -0.001 0.000 0.257 281 K C -0.701 175.929 176.600 0.051 0.000 0.940 281 K CA -0.631 55.679 56.287 0.040 0.000 0.811 281 K CB 1.903 34.423 32.500 0.032 0.000 1.120 281 K HN 0.791 nan 8.250 nan 0.000 0.428 282 A N 1.589 124.442 122.820 0.056 0.000 2.601 282 A HA 0.534 4.853 4.320 -0.001 0.000 0.291 282 A C -1.506 176.117 177.584 0.065 0.000 1.075 282 A CA -0.936 51.139 52.037 0.063 0.000 0.671 282 A CB 1.275 20.316 19.000 0.067 0.000 1.277 282 A HN 0.664 nan 8.150 nan 0.000 0.417 283 Q N 0.482 120.324 119.800 0.070 0.000 2.294 283 Q HA 0.534 4.874 4.340 -0.001 0.000 0.257 283 Q C -0.151 175.892 176.000 0.071 0.000 0.955 283 Q CA -0.177 55.669 55.803 0.071 0.000 0.936 283 Q CB 1.647 30.432 28.738 0.079 0.000 1.188 283 Q HN 0.877 nan 8.270 nan 0.000 0.420 284 A N 5.163 128.029 122.820 0.077 0.000 2.511 284 A HA 0.428 4.747 4.320 -0.001 0.000 0.340 284 A C -0.501 177.139 177.584 0.095 0.000 1.396 284 A CA -0.551 51.537 52.037 0.085 0.000 0.887 284 A CB 0.097 19.155 19.000 0.097 0.000 1.145 284 A HN 0.709 nan 8.150 nan 0.000 0.497 285 L N 2.366 123.645 121.223 0.093 0.000 2.307 285 L HA 0.321 4.660 4.340 -0.001 0.000 0.282 285 L C 0.517 177.487 176.870 0.167 0.000 1.051 285 L CA -0.519 54.388 54.840 0.113 0.000 0.804 285 L CB 1.281 43.391 42.059 0.085 0.000 1.197 285 L HN 0.736 nan 8.230 nan 0.000 0.431 286 H N 2.771 121.875 119.070 0.056 0.000 2.846 286 H HA 0.315 4.870 4.556 -0.001 0.000 0.278 286 H C -0.833 174.529 175.328 0.057 0.000 1.117 286 H CA -0.125 55.959 56.048 0.059 0.000 1.406 286 H CB 0.938 30.734 29.762 0.057 0.000 1.445 286 H HN 0.560 nan 8.280 nan 0.000 0.469 287 S N 4.158 119.901 115.700 0.073 0.000 2.533 287 S HA 0.032 4.501 4.470 -0.001 0.000 0.271 287 S C -1.504 173.138 174.600 0.071 0.000 1.143 287 S CA -1.005 57.209 58.200 0.024 0.000 0.891 287 S CB 1.599 64.834 63.200 0.058 0.000 1.105 287 S HN 0.807 nan 8.310 nan 0.000 0.468 288 D N 4.053 124.508 120.400 0.091 0.000 2.393 288 D HA 0.459 5.098 4.640 -0.001 0.000 0.232 288 D C 1.326 177.813 176.300 0.311 0.000 1.192 288 D CA 0.441 54.564 54.000 0.206 0.000 0.882 288 D CB -0.194 40.736 40.800 0.217 0.000 1.038 288 D HN 0.503 nan 8.370 nan 0.000 0.499 289 V N 3.363 123.436 119.914 0.265 0.000 0.690 289 V HA -0.424 3.696 4.120 -0.001 0.000 0.092 289 V C 1.382 177.553 176.094 0.127 0.000 0.789 289 V CA 2.039 64.457 62.300 0.198 0.000 3.100 289 V CB -1.136 30.777 31.823 0.151 0.000 0.195 289 V HN 0.813 nan 8.190 nan 0.000 0.099 290 D N 0.335 120.834 120.400 0.166 0.000 2.336 290 D HA 0.045 4.684 4.640 -0.001 0.000 0.228 290 D C 1.497 177.824 176.300 0.044 0.000 1.120 290 D CA 0.656 54.706 54.000 0.083 0.000 0.839 290 D CB 0.140 40.981 40.800 0.069 0.000 0.932 290 D HN 0.839 nan 8.370 nan 0.000 0.509 291 E N 1.280 121.519 120.200 0.064 0.000 2.130 291 E HA -0.230 4.119 4.350 -0.001 0.000 0.196 291 E C 1.512 178.086 176.600 -0.044 0.000 0.998 291 E CA 1.292 57.651 56.400 -0.068 0.000 0.806 291 E CB 0.006 29.716 29.700 0.016 0.000 0.738 291 E HN 0.328 nan 8.360 nan 0.000 0.459 292 A N 0.877 123.698 122.820 0.002 0.000 2.167 292 A HA 0.131 4.450 4.320 -0.001 0.000 0.214 292 A C 1.348 178.945 177.584 0.021 0.000 1.151 292 A CA -0.034 52.009 52.037 0.009 0.000 0.735 292 A CB -0.143 18.875 19.000 0.029 0.000 0.802 292 A HN 0.169 nan 8.150 nan 0.000 0.467 293 L N 1.045 122.286 121.223 0.030 0.000 2.418 293 L HA 0.242 4.581 4.340 -0.001 0.000 0.265 293 L C 1.133 178.016 176.870 0.021 0.000 1.143 293 L CA -0.469 54.404 54.840 0.056 0.000 0.809 293 L CB 0.636 42.761 42.059 0.110 0.000 1.124 293 L HN 0.349 nan 8.230 nan 0.000 0.456 294 T N -2.613 111.953 114.554 0.020 0.000 2.855 294 T HA -0.036 4.313 4.350 -0.001 0.000 0.314 294 T C 0.963 175.659 174.700 -0.005 0.000 1.077 294 T CA -0.345 61.754 62.100 -0.003 0.000 1.095 294 T CB 0.953 69.814 68.868 -0.011 0.000 0.987 294 T HN 0.789 nan 8.240 nan 0.000 0.546 295 E N 0.841 121.030 120.200 -0.017 0.000 2.130 295 E HA -0.230 4.119 4.350 -0.001 0.000 0.196 295 E C 2.001 178.591 176.600 -0.016 0.000 0.998 295 E CA 1.597 57.986 56.400 -0.018 0.000 0.806 295 E CB 0.000 29.687 29.700 -0.023 0.000 0.738 295 E HN 0.862 nan 8.360 nan 0.000 0.459 296 E N 0.287 120.471 120.200 -0.025 0.000 2.442 296 E HA 0.046 4.395 4.350 -0.001 0.000 0.195 296 E C 0.310 176.871 176.600 -0.065 0.000 1.030 296 E CA 0.415 56.792 56.400 -0.039 0.000 0.869 296 E CB -0.070 29.605 29.700 -0.042 0.000 0.857 296 E HN 0.181 nan 8.360 nan 0.000 0.505 297 A N 2.289 125.070 122.820 -0.065 0.000 2.548 297 A HA 0.197 4.516 4.320 -0.001 0.000 0.247 297 A C 0.110 177.570 177.584 -0.207 0.000 1.067 297 A CA 0.017 51.957 52.037 -0.162 0.000 0.757 297 A CB 0.166 19.118 19.000 -0.080 0.000 0.996 297 A HN 0.066 nan 8.150 nan 0.000 0.504 298 R N 0.785 121.029 120.500 -0.427 0.000 2.867 298 R HA 0.753 5.092 4.340 -0.001 0.000 0.268 298 R C -1.534 174.354 176.300 -0.686 0.000 1.014 298 R CA -0.488 55.421 56.100 -0.318 0.000 0.946 298 R CB 1.325 31.548 30.300 -0.128 0.000 1.208 298 R HN 0.629 nan 8.270 nan 0.000 0.477 299 F N -0.790 119.167 119.950 0.011 0.000 2.613 299 F HA 0.317 4.843 4.527 -0.001 0.000 0.314 299 F C 1.117 176.942 175.800 0.041 0.000 1.075 299 F CA -0.740 57.275 58.000 0.026 0.000 0.945 299 F CB 1.737 40.753 39.000 0.027 0.000 1.310 299 F HN 0.360 nan 8.300 nan 0.000 0.467 300 D N 0.868 121.407 120.400 0.233 0.000 2.216 300 D HA 0.181 4.820 4.640 -0.001 0.000 0.208 300 D C 0.227 176.646 176.300 0.199 0.000 0.960 300 D CA 1.490 55.592 54.000 0.171 0.000 0.861 300 D CB 0.855 41.736 40.800 0.135 0.000 0.985 300 D HN 0.200 nan 8.370 nan 0.000 0.493 301 I N 0.951 121.661 120.570 0.234 0.000 2.569 301 I HA 0.321 4.490 4.170 -0.001 0.000 0.290 301 I C -0.843 175.396 176.117 0.203 0.000 1.088 301 I CA -0.586 60.857 61.300 0.240 0.000 1.047 301 I CB 2.997 41.140 38.000 0.237 0.000 1.237 301 I HN -0.319 nan 8.210 nan 0.000 0.421 302 I N 6.293 127.005 120.570 0.238 0.000 2.498 302 I HA 0.526 4.695 4.170 -0.001 0.000 0.290 302 I C -0.578 175.725 176.117 0.311 0.000 1.032 302 I CA -1.010 60.399 61.300 0.182 0.000 1.073 302 I CB 2.183 40.256 38.000 0.123 0.000 1.251 302 I HN 0.284 nan 8.210 nan 0.000 0.426 303 V N 1.849 121.848 119.914 0.142 0.000 2.769 303 V HA 0.883 5.002 4.120 -0.001 0.000 0.312 303 V C -0.561 175.541 176.094 0.013 0.000 1.061 303 V CA -0.298 62.053 62.300 0.084 0.000 0.931 303 V CB 1.914 33.736 31.823 -0.001 0.000 1.010 303 V HN 0.823 nan 8.190 nan 0.000 0.433 304 T N 2.277 116.811 114.554 -0.033 0.000 3.159 304 T HA 0.382 4.731 4.350 -0.001 0.000 0.343 304 T C -1.623 173.034 174.700 -0.072 0.000 1.364 304 T CA -0.400 61.679 62.100 -0.034 0.000 1.102 304 T CB 1.483 70.398 68.868 0.078 0.000 1.263 304 T HN 1.098 nan 8.240 nan 0.000 0.477 305 N N 4.950 123.609 118.700 -0.069 0.000 2.816 305 N HA 0.462 5.201 4.740 -0.001 0.000 0.236 305 N C -2.640 172.838 175.510 -0.053 0.000 1.076 305 N CA -1.702 51.284 53.050 -0.107 0.000 0.902 305 N CB 0.941 39.329 38.487 -0.166 0.000 1.149 305 N HN 0.354 nan 8.380 nan 0.000 0.506 306 P HA 0.255 nan 4.420 nan 0.000 0.272 306 P C -2.501 174.794 177.300 -0.009 0.000 1.230 306 P CA -0.868 62.292 63.100 0.101 0.000 0.788 306 P CB -0.068 31.697 31.700 0.108 0.000 0.949 307 P HA 0.128 nan 4.420 nan 0.000 0.269 307 P C -0.971 176.382 177.300 0.088 0.000 1.215 307 P CA 0.321 63.352 63.100 -0.114 0.000 0.780 307 P CB 0.161 31.752 31.700 -0.183 0.000 0.898 308 F N -2.162 117.778 119.950 -0.016 0.000 2.613 308 F HA 0.450 4.977 4.527 -0.001 0.000 0.310 308 F C -0.509 175.351 175.800 0.099 0.000 1.085 308 F CA -1.294 56.741 58.000 0.058 0.000 0.945 308 F CB 1.243 40.298 39.000 0.092 0.000 1.298 308 F HN 0.315 nan 8.300 nan 0.000 0.455 309 H N 2.561 121.703 119.070 0.120 0.000 2.668 309 H HA 0.380 4.935 4.556 -0.001 0.000 0.303 309 H C -0.672 174.748 175.328 0.153 0.000 1.074 309 H CA -0.390 55.681 56.048 0.039 0.000 1.406 309 H CB 1.581 31.378 29.762 0.058 0.000 1.442 309 H HN 0.671 nan 8.280 nan 0.000 0.482 310 V N 5.558 125.278 119.914 -0.324 0.000 2.475 310 V HA -0.016 4.103 4.120 -0.001 0.000 0.292 310 V C 1.565 177.626 176.094 -0.056 0.000 1.003 310 V CA 1.341 63.583 62.300 -0.097 0.000 1.120 310 V CB 0.355 32.079 31.823 -0.164 0.000 0.937 310 V HN 1.168 nan 8.190 nan 0.000 0.476 311 G N 3.741 112.624 108.800 0.137 0.000 2.184 311 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.264 311 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.264 311 G C 0.581 175.591 174.900 0.183 0.000 0.975 311 G CA 0.030 45.206 45.100 0.128 0.000 0.642 311 G HN 1.378 nan 8.290 nan 0.000 0.536 312 G N -0.882 108.086 108.800 0.280 0.000 2.476 312 G HA2 0.667 4.626 3.960 -0.001 0.000 0.269 312 G HA3 0.667 4.626 3.960 -0.001 0.000 0.269 312 G C 0.854 175.873 174.900 0.198 0.000 1.195 312 G CA 0.401 45.690 45.100 0.315 0.000 0.843 312 G HN 1.314 nan 8.290 nan 0.000 0.545 313 A N 0.923 123.823 122.820 0.133 0.000 2.348 313 A HA 0.527 4.846 4.320 -0.001 0.000 0.224 313 A C 0.445 178.047 177.584 0.029 0.000 1.227 313 A CA 0.166 52.263 52.037 0.099 0.000 0.885 313 A CB 0.343 19.404 19.000 0.103 0.000 0.933 313 A HN 0.508 nan 8.150 nan 0.000 0.506 314 V N 1.100 121.024 119.914 0.018 0.000 2.555 314 V HA 0.341 4.460 4.120 -0.001 0.000 0.302 314 V C -0.194 175.867 176.094 -0.055 0.000 1.038 314 V CA -0.694 61.578 62.300 -0.046 0.000 0.887 314 V CB 1.715 33.506 31.823 -0.053 0.000 0.991 314 V HN 0.359 nan 8.190 nan 0.000 0.434 315 I N 4.719 125.205 120.570 -0.139 0.000 2.618 315 I HA 0.108 4.277 4.170 -0.001 0.000 0.284 315 I C 0.263 176.318 176.117 -0.104 0.000 1.146 315 I CA 0.134 61.331 61.300 -0.172 0.000 1.425 315 I CB 0.431 38.195 38.000 -0.393 0.000 1.383 315 I HN 0.405 nan 8.210 nan 0.000 0.562 316 L N 6.269 127.457 121.223 -0.059 0.000 2.483 316 L HA -0.009 4.330 4.340 -0.001 0.000 0.276 316 L C 1.344 178.165 176.870 -0.083 0.000 1.213 316 L CA -0.101 54.703 54.840 -0.061 0.000 0.843 316 L CB 0.246 42.274 42.059 -0.053 0.000 1.107 316 L HN 0.620 nan 8.230 nan 0.000 0.487 317 D N 1.396 121.768 120.400 -0.047 0.000 2.149 317 D HA -0.170 4.469 4.640 -0.001 0.000 0.194 317 D C 2.043 178.293 176.300 -0.082 0.000 1.001 317 D CA 1.130 55.124 54.000 -0.010 0.000 0.849 317 D CB 0.037 40.885 40.800 0.080 0.000 0.939 317 D HN 0.368 nan 8.370 nan 0.000 0.449 318 V N 1.278 121.114 119.914 -0.129 0.000 2.343 318 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 318 V C 2.520 178.238 176.094 -0.627 0.000 1.051 318 V CA 1.880 63.952 62.300 -0.381 0.000 1.036 318 V CB -0.773 30.851 31.823 -0.331 0.000 0.654 318 V HN 0.215 nan 8.190 nan 0.000 0.451 319 A N -0.941 121.598 122.820 -0.468 0.000 1.930 319 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 319 A C 2.172 179.724 177.584 -0.054 0.000 1.175 319 A CA 1.678 53.506 52.037 -0.348 0.000 0.627 319 A CB -0.418 18.544 19.000 -0.063 0.000 0.815 319 A HN 0.632 nan 8.150 nan 0.000 0.443 320 Q N -0.527 119.226 119.800 -0.077 0.000 2.084 320 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 320 Q C 2.408 178.382 176.000 -0.043 0.000 0.978 320 Q CA 1.421 57.208 55.803 -0.027 0.000 0.844 320 Q CB -0.407 28.295 28.738 -0.060 0.000 0.898 320 Q HN 0.678 nan 8.270 nan 0.000 0.426 321 A N 0.571 123.284 122.820 -0.178 0.000 1.972 321 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 321 A C 1.737 179.304 177.584 -0.029 0.000 1.169 321 A CA 1.028 52.913 52.037 -0.254 0.000 0.635 321 A CB -0.611 17.884 19.000 -0.841 0.000 0.810 321 A HN 0.261 nan 8.150 nan 0.000 0.446 322 F N 0.124 119.969 119.950 -0.175 0.000 2.126 322 F HA -0.157 4.369 4.527 -0.001 0.000 0.299 322 F C 2.557 178.315 175.800 -0.069 0.000 1.096 322 F CA 1.030 58.977 58.000 -0.089 0.000 1.255 322 F CB -1.112 37.892 39.000 0.006 0.000 0.997 322 F HN 0.052 nan 8.300 nan 0.000 0.479 323 V N 0.417 120.461 119.914 0.217 0.000 2.295 323 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 323 V C 2.184 178.223 176.094 -0.092 0.000 1.049 323 V CA 1.936 64.303 62.300 0.111 0.000 1.024 323 V CB -0.733 31.247 31.823 0.262 0.000 0.648 323 V HN 0.273 nan 8.190 nan 0.000 0.447 324 N N 0.320 118.980 118.700 -0.066 0.000 2.120 324 N HA -0.127 4.612 4.740 -0.001 0.000 0.188 324 N C 1.769 177.187 175.510 -0.153 0.000 1.024 324 N CA 1.361 54.336 53.050 -0.124 0.000 0.852 324 N CB -0.707 37.733 38.487 -0.078 0.000 1.003 324 N HN 0.353 nan 8.380 nan 0.000 0.424 325 V N 1.577 121.425 119.914 -0.110 0.000 2.427 325 V HA -0.167 3.953 4.120 -0.001 0.000 0.248 325 V C 2.401 178.394 176.094 -0.168 0.000 1.051 325 V CA 1.637 63.879 62.300 -0.096 0.000 1.048 325 V CB -0.969 30.825 31.823 -0.049 0.000 0.666 325 V HN 0.302 nan 8.190 nan 0.000 0.456 326 A N 0.188 122.840 122.820 -0.281 0.000 1.883 326 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 326 A C 2.449 179.847 177.584 -0.309 0.000 1.186 326 A CA 2.370 54.157 52.037 -0.417 0.000 0.624 326 A CB -0.920 17.426 19.000 -1.090 0.000 0.822 326 A HN 0.589 nan 8.150 nan 0.000 0.444 327 A N -0.417 122.129 122.820 -0.456 0.000 1.940 327 A HA 0.146 4.465 4.320 -0.001 0.000 0.219 327 A C 2.451 179.842 177.584 -0.321 0.000 1.176 327 A CA 2.173 53.808 52.037 -0.670 0.000 0.631 327 A CB -0.906 17.478 19.000 -1.028 0.000 0.814 327 A HN 1.133 nan 8.150 nan 0.000 0.446 328 A N -1.279 121.410 122.820 -0.219 0.000 2.014 328 A HA -0.011 4.308 4.320 -0.001 0.000 0.218 328 A C 2.108 179.665 177.584 -0.045 0.000 1.163 328 A CA 0.943 52.910 52.037 -0.116 0.000 0.652 328 A CB -0.206 18.745 19.000 -0.082 0.000 0.808 328 A HN 0.359 nan 8.150 nan 0.000 0.449 329 R N -0.906 119.585 120.500 -0.016 0.000 2.290 329 R HA 0.298 4.637 4.340 -0.001 0.000 0.197 329 R C -0.180 176.211 176.300 0.153 0.000 0.913 329 R CA -0.054 56.106 56.100 0.102 0.000 1.040 329 R CB -0.301 30.099 30.300 0.167 0.000 0.992 329 R HN 0.408 nan 8.270 nan 0.000 0.500 330 L N 2.271 123.544 121.223 0.084 0.000 2.349 330 L HA 0.203 4.542 4.340 -0.001 0.000 0.275 330 L C 0.747 177.657 176.870 0.067 0.000 1.115 330 L CA -0.178 54.728 54.840 0.111 0.000 0.820 330 L CB 0.752 42.887 42.059 0.126 0.000 1.135 330 L HN -0.143 nan 8.230 nan 0.000 0.445 331 R N 3.207 123.746 120.500 0.065 0.000 2.738 331 R HA 0.170 4.509 4.340 -0.001 0.000 0.268 331 R C -2.237 174.089 176.300 0.045 0.000 1.062 331 R CA -1.622 54.499 56.100 0.035 0.000 1.158 331 R CB -0.267 30.049 30.300 0.027 0.000 1.046 331 R HN 0.326 nan 8.270 nan 0.000 0.493 332 P HA -0.066 nan 4.420 nan 0.000 0.262 332 P C 0.532 177.860 177.300 0.047 0.000 1.182 332 P CA 1.083 64.204 63.100 0.037 0.000 0.761 332 P CB 0.488 32.202 31.700 0.024 0.000 0.795 333 G N 1.909 110.743 108.800 0.056 0.000 2.205 333 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.261 333 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.261 333 G C 0.676 175.620 174.900 0.074 0.000 0.980 333 G CA -0.092 45.046 45.100 0.063 0.000 0.632 333 G HN 0.895 nan 8.290 nan 0.000 0.533 334 G N -0.673 108.174 108.800 0.078 0.000 2.594 334 G HA2 0.633 4.592 3.960 -0.001 0.000 0.243 334 G HA3 0.633 4.592 3.960 -0.001 0.000 0.243 334 G C 0.265 175.197 174.900 0.054 0.000 1.229 334 G CA 0.692 45.849 45.100 0.095 0.000 0.843 334 G HN 1.674 nan 8.290 nan 0.000 0.578 335 V N -1.441 118.508 119.914 0.058 0.000 2.914 335 V HA 0.846 4.966 4.120 -0.001 0.000 0.314 335 V C -1.234 174.827 176.094 -0.055 0.000 1.084 335 V CA -1.369 60.855 62.300 -0.127 0.000 0.963 335 V CB 1.950 33.753 31.823 -0.032 0.000 1.025 335 V HN 0.647 nan 8.190 nan 0.000 0.432 336 F N 3.554 123.140 119.950 -0.608 0.000 2.529 336 F HA 0.863 5.389 4.527 -0.001 0.000 0.320 336 F C -1.488 173.978 175.800 -0.556 0.000 1.118 336 F CA -2.283 55.461 58.000 -0.426 0.000 0.915 336 F CB 1.759 40.439 39.000 -0.534 0.000 1.161 336 F HN 0.517 nan 8.300 nan 0.000 0.445 337 F N 6.909 126.595 119.950 -0.440 0.000 2.482 337 F HA 0.655 5.181 4.527 -0.001 0.000 0.331 337 F C -0.882 174.452 175.800 -0.775 0.000 1.115 337 F CA -0.866 56.859 58.000 -0.459 0.000 0.955 337 F CB 1.944 40.856 39.000 -0.147 0.000 1.136 337 F HN 0.451 nan 8.300 nan 0.000 0.452 338 L N 4.285 125.155 121.223 -0.587 0.000 2.408 338 L HA 0.861 5.200 4.340 -0.001 0.000 0.268 338 L C -1.816 174.866 176.870 -0.314 0.000 0.986 338 L CA -0.808 53.701 54.840 -0.551 0.000 0.820 338 L CB 2.023 43.613 42.059 -0.782 0.000 1.303 338 L HN 0.488 nan 8.230 nan 0.000 0.411 339 V N 4.253 124.019 119.914 -0.248 0.000 2.604 339 V HA 0.905 5.024 4.120 -0.001 0.000 0.305 339 V C -0.550 175.444 176.094 -0.167 0.000 1.043 339 V CA 0.500 62.703 62.300 -0.162 0.000 0.888 339 V CB 2.146 33.898 31.823 -0.118 0.000 0.995 339 V HN 1.024 nan 8.190 nan 0.000 0.429 340 S N 4.826 120.480 115.700 -0.076 0.000 2.656 340 S HA 0.558 5.027 4.470 -0.001 0.000 0.273 340 S C -0.993 173.670 174.600 0.104 0.000 1.168 340 S CA -1.025 57.170 58.200 -0.009 0.000 0.817 340 S CB 1.499 64.721 63.200 0.036 0.000 1.146 340 S HN 0.682 nan 8.310 nan 0.000 0.475 341 N N 1.898 120.620 118.700 0.037 0.000 2.407 341 N HA 0.196 4.935 4.740 -0.001 0.000 0.250 341 N C -1.893 173.660 175.510 0.072 0.000 1.236 341 N CA -1.174 51.889 53.050 0.023 0.000 0.879 341 N CB 0.211 38.614 38.487 -0.139 0.000 1.088 341 N HN 0.444 nan 8.380 nan 0.000 0.450 342 P HA -0.067 nan 4.420 nan 0.000 0.221 342 P C 0.544 177.964 177.300 0.201 0.000 1.145 342 P CA 1.013 64.178 63.100 0.109 0.000 0.795 342 P CB 0.100 31.841 31.700 0.068 0.000 0.775 343 F N -0.967 118.982 119.950 -0.002 0.000 2.647 343 F HA 0.287 4.813 4.527 -0.001 0.000 0.300 343 F C 0.421 176.220 175.800 -0.002 0.000 1.106 343 F CA -0.600 57.400 58.000 -0.000 0.000 1.313 343 F CB -0.131 38.864 39.000 -0.009 0.000 1.007 343 F HN -0.283 nan 8.300 nan 0.000 0.536 344 L N 1.447 122.672 121.223 0.003 0.000 2.305 344 L HA 0.216 4.555 4.340 -0.001 0.000 0.281 344 L C 0.651 177.408 176.870 -0.190 0.000 1.085 344 L CA -0.314 54.469 54.840 -0.094 0.000 0.813 344 L CB 0.914 42.991 42.059 0.029 0.000 1.157 344 L HN -0.040 nan 8.230 nan 0.000 0.436 345 K N 3.814 124.013 120.400 -0.335 0.000 3.006 345 K HA 0.031 4.350 4.320 -0.001 0.000 0.265 345 K C 0.085 176.509 176.600 -0.295 0.000 1.279 345 K CA 0.058 56.159 56.287 -0.310 0.000 1.229 345 K CB -0.082 32.237 32.500 -0.301 0.000 1.555 345 K HN 0.464 nan 8.250 nan 0.000 0.300 346 Y N 0.587 120.789 120.300 -0.164 0.000 2.457 346 Y HA -0.130 4.419 4.550 -0.001 0.000 0.292 346 Y C 1.701 177.440 175.900 -0.268 0.000 1.125 346 Y CA 0.821 58.825 58.100 -0.160 0.000 1.254 346 Y CB 0.223 38.605 38.460 -0.131 0.000 1.012 346 Y HN 0.337 nan 8.280 nan 0.000 0.555 347 E N 0.367 120.421 120.200 -0.244 0.000 2.038 347 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 347 E C -0.450 175.949 176.600 -0.334 0.000 1.000 347 E CA 1.848 57.883 56.400 -0.608 0.000 0.803 347 E CB -1.597 27.838 29.700 -0.441 0.000 0.750 347 E HN 0.332 nan 8.360 nan 0.000 0.448 348 P HA -0.152 nan 4.420 nan 0.000 0.218 348 P C 1.210 178.497 177.300 -0.022 0.000 1.148 348 P CA 1.216 64.288 63.100 -0.045 0.000 0.822 348 P CB 0.016 31.686 31.700 -0.049 0.000 0.784 349 L N -1.669 119.535 121.223 -0.032 0.000 2.056 349 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 349 L C 2.551 179.482 176.870 0.100 0.000 1.078 349 L CA 0.999 55.856 54.840 0.029 0.000 0.749 349 L CB -1.115 40.979 42.059 0.059 0.000 0.901 349 L HN -0.067 nan 8.230 nan 0.000 0.433 350 L N -0.040 121.243 121.223 0.100 0.000 2.093 350 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 350 L C 2.536 179.579 176.870 0.289 0.000 1.085 350 L CA 1.473 56.461 54.840 0.248 0.000 0.755 350 L CB -0.618 41.483 42.059 0.070 0.000 0.904 350 L HN 0.188 nan 8.230 nan 0.000 0.435 351 E N -0.222 120.095 120.200 0.196 0.000 2.110 351 E HA -0.262 4.087 4.350 -0.001 0.000 0.193 351 E C 2.169 178.860 176.600 0.153 0.000 0.988 351 E CA 1.446 57.992 56.400 0.242 0.000 0.804 351 E CB -0.031 29.806 29.700 0.229 0.000 0.745 351 E HN 0.513 nan 8.360 nan 0.000 0.458 352 E N -0.420 119.838 120.200 0.097 0.000 2.047 352 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 352 E C 1.445 178.048 176.600 0.005 0.000 0.987 352 E CA 1.027 57.452 56.400 0.041 0.000 0.799 352 E CB 0.123 29.832 29.700 0.015 0.000 0.752 352 E HN 0.011 nan 8.360 nan 0.000 0.449 353 K N -0.629 119.764 120.400 -0.012 0.000 2.314 353 K HA 0.005 4.325 4.320 -0.001 0.000 0.198 353 K C 1.464 177.835 176.600 -0.383 0.000 1.045 353 K CA 0.653 56.810 56.287 -0.216 0.000 0.988 353 K CB 0.121 32.429 32.500 -0.321 0.000 0.783 353 K HN 0.212 nan 8.250 nan 0.000 0.484 354 F N -0.928 119.028 119.950 0.010 0.000 2.740 354 F HA 0.215 4.741 4.527 -0.001 0.000 0.304 354 F C 1.555 177.369 175.800 0.024 0.000 1.098 354 F CA 0.515 58.519 58.000 0.007 0.000 1.258 354 F CB 0.828 39.837 39.000 0.016 0.000 1.061 354 F HN 0.183 nan 8.300 nan 0.000 0.598 355 G N 0.575 109.502 108.800 0.211 0.000 2.279 355 G HA2 0.044 4.003 3.960 -0.001 0.000 0.223 355 G HA3 0.044 4.003 3.960 -0.001 0.000 0.223 355 G C 0.190 175.185 174.900 0.159 0.000 1.015 355 G CA -0.064 45.122 45.100 0.143 0.000 0.621 355 G HN 0.840 nan 8.290 nan 0.000 0.506 356 A N -0.983 121.962 122.820 0.208 0.000 2.599 356 A HA 1.047 5.366 4.320 -0.001 0.000 0.290 356 A C -0.894 176.836 177.584 0.244 0.000 1.101 356 A CA 0.103 52.238 52.037 0.164 0.000 0.674 356 A CB 1.013 20.047 19.000 0.057 0.000 1.277 356 A HN 1.982 nan 8.150 nan 0.000 0.419 357 F N -1.686 118.280 119.950 0.028 0.000 2.713 357 F HA 0.787 5.313 4.527 -0.001 0.000 0.311 357 F C -1.101 174.727 175.800 0.046 0.000 1.141 357 F CA -0.745 57.252 58.000 -0.006 0.000 0.939 357 F CB 1.053 40.048 39.000 -0.009 0.000 1.325 357 F HN 0.628 nan 8.300 nan 0.000 0.453 358 Q N 0.311 120.198 119.800 0.145 0.000 2.433 358 Q HA 0.591 4.930 4.340 -0.001 0.000 0.279 358 Q C -1.496 174.645 176.000 0.236 0.000 1.105 358 Q CA -1.326 54.506 55.803 0.049 0.000 0.815 358 Q CB 2.703 31.494 28.738 0.088 0.000 1.403 358 Q HN 0.725 nan 8.270 nan 0.000 0.435 359 T N 2.209 116.845 114.554 0.136 0.000 2.853 359 T HA 0.300 4.650 4.350 -0.001 0.000 0.317 359 T C 0.938 175.685 174.700 0.078 0.000 1.059 359 T CA -0.220 61.975 62.100 0.159 0.000 0.954 359 T CB 0.231 69.202 68.868 0.172 0.000 0.994 359 T HN 0.403 nan 8.240 nan 0.000 0.479 360 L N 1.389 122.657 121.223 0.076 0.000 2.270 360 L HA 0.245 4.584 4.340 -0.001 0.000 0.210 360 L C 0.975 177.871 176.870 0.043 0.000 1.104 360 L CA 0.733 55.595 54.840 0.037 0.000 0.804 360 L CB -0.028 42.062 42.059 0.051 0.000 0.937 360 L HN 0.297 nan 8.230 nan 0.000 0.450 361 K N 0.098 120.536 120.400 0.062 0.000 2.523 361 K HA 0.555 4.875 4.320 -0.001 0.000 0.257 361 K C -1.511 175.129 176.600 0.068 0.000 0.932 361 K CA -0.358 55.964 56.287 0.059 0.000 0.812 361 K CB 3.402 35.941 32.500 0.066 0.000 1.326 361 K HN -0.335 nan 8.250 nan 0.000 0.433 362 V N 1.371 121.319 119.914 0.057 0.000 2.610 362 V HA 0.649 4.768 4.120 -0.001 0.000 0.288 362 V C -0.964 175.150 176.094 0.033 0.000 1.055 362 V CA 0.049 62.382 62.300 0.055 0.000 0.902 362 V CB 1.140 33.001 31.823 0.063 0.000 1.030 362 V HN 1.030 nan 8.190 nan 0.000 0.448 363 A N 4.404 127.236 122.820 0.020 0.000 1.893 363 A HA 0.437 4.756 4.320 -0.001 0.000 0.175 363 A C 1.251 178.780 177.584 -0.092 0.000 1.480 363 A CA 0.668 52.694 52.037 -0.018 0.000 2.061 363 A CB -0.119 18.879 19.000 -0.004 0.000 2.260 363 A HN 0.640 nan 8.150 nan 0.000 1.021 364 E N -1.438 118.668 120.200 -0.158 0.000 2.110 364 E HA -0.095 4.254 4.350 -0.001 0.000 0.193 364 E C -0.549 175.589 176.600 -0.769 0.000 0.988 364 E CA 1.188 57.314 56.400 -0.457 0.000 0.804 364 E CB -0.058 29.346 29.700 -0.492 0.000 0.745 364 E HN 0.525 nan 8.360 nan 0.000 0.458 365 Y N -0.784 119.514 120.300 -0.002 0.000 2.609 365 Y HA 0.306 4.855 4.550 -0.001 0.000 0.342 365 Y C -0.598 175.303 175.900 0.002 0.000 1.058 365 Y CA -1.315 56.778 58.100 -0.011 0.000 1.055 365 Y CB 1.226 39.674 38.460 -0.020 0.000 1.292 365 Y HN -0.266 nan 8.280 nan 0.000 0.476 366 K N 0.295 120.791 120.400 0.160 0.000 2.221 366 K HA 0.805 5.125 4.320 -0.001 0.000 0.258 366 K C -1.692 174.946 176.600 0.064 0.000 0.944 366 K CA -0.827 55.520 56.287 0.100 0.000 0.823 366 K CB 2.029 34.580 32.500 0.084 0.000 1.113 366 K HN 0.390 nan 8.250 nan 0.000 0.431 367 V N 4.820 124.771 119.914 0.061 0.000 2.347 367 V HA 0.307 4.427 4.120 -0.001 0.000 0.280 367 V C -0.202 175.922 176.094 0.051 0.000 1.021 367 V CA -0.797 61.528 62.300 0.040 0.000 0.847 367 V CB 0.766 32.636 31.823 0.079 0.000 0.990 367 V HN 0.662 nan 8.190 nan 0.000 0.444 368 L N 4.929 126.138 121.223 -0.023 0.000 2.334 368 L HA 0.678 5.017 4.340 -0.001 0.000 0.272 368 L C -0.763 176.066 176.870 -0.068 0.000 1.020 368 L CA -0.498 54.342 54.840 -0.001 0.000 0.812 368 L CB 1.805 43.808 42.059 -0.093 0.000 1.264 368 L HN 0.608 nan 8.230 nan 0.000 0.439 369 F N 1.642 121.477 119.950 -0.193 0.000 2.569 369 F HA 0.801 5.327 4.527 -0.001 0.000 0.312 369 F C -0.823 174.795 175.800 -0.304 0.000 1.109 369 F CA -0.416 57.344 58.000 -0.400 0.000 0.919 369 F CB 1.705 40.475 39.000 -0.384 0.000 1.211 369 F HN 0.490 nan 8.300 nan 0.000 0.446 370 A N 4.331 126.391 122.820 -1.268 0.000 2.556 370 A HA 0.665 4.984 4.320 -0.001 0.000 0.294 370 A C -1.679 175.123 177.584 -1.304 0.000 1.091 370 A CA -0.716 50.640 52.037 -1.136 0.000 0.704 370 A CB 1.801 20.043 19.000 -1.263 0.000 1.300 370 A HN 0.812 nan 8.150 nan 0.000 0.406 371 E N 0.670 120.457 120.200 -0.688 0.000 2.210 371 E HA 0.478 4.827 4.350 -0.001 0.000 0.266 371 E C -0.843 175.765 176.600 0.014 0.000 0.883 371 E CA -0.780 55.424 56.400 -0.327 0.000 0.761 371 E CB 1.294 30.921 29.700 -0.121 0.000 1.156 371 E HN 0.485 nan 8.360 nan 0.000 0.412 372 K N 1.752 122.219 120.400 0.111 0.000 2.368 372 K HA 0.129 4.448 4.320 -0.001 0.000 0.282 372 K C -0.311 176.350 176.600 0.101 0.000 1.035 372 K CA -0.068 56.331 56.287 0.188 0.000 0.973 372 K CB 0.658 33.246 32.500 0.148 0.000 0.957 372 K HN 0.213 nan 8.250 nan 0.000 0.474 373 R N 0.000 120.554 120.500 0.090 0.000 2.786 373 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 373 R CA 0.000 56.135 56.100 0.058 0.000 0.921 373 R CB 0.000 30.332 30.300 0.053 0.000 0.687 373 R HN 0.000 nan 8.270 nan 0.000 0.535