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 3ol9_1_I DATA FIRST_RESID 1 DATA SEQUENCE GEIQWMRPSK EVGYPIINAP SKTKLEPSAF HYVFEGVKEP AVLTKNDPRL DATA SEQUENCE KTDFEEAIFS KYVGNKITEV DEYMKEAVDH YAGQLMSLDI NTEQMCLEDA DATA SEQUENCE MYGTDGLEAL DLSTSAGYPY VAMGKKKRDI LNKQTRDTKE MQKLLDTYGI DATA SEQUENCE NLPLVTYVKD ELRSKTKVEQ GKSRLIEASS LNDSVAMRMA FGNLYAAFHK DATA SEQUENCE NPGVITGSAV GCDPDLFWSK IPVLMEEKLF AFDYTGYDAS LSPAWFEALK DATA SEQUENCE MVLEKIGFGD RVDYIDYLNH SHHLYKNKTY CVKGGMPSGC SGTSIFNSMI DATA SEQUENCE NNLIIRTLLL KTYKGIDLDH LKMIAYGDDV IASYPHEVDA SLLAQSGKDY DATA SEQUENCE GLTMTPADKS ATFETVTWEN VTFLKRFFRA DEKYPFLIHP VMPMKEIHES DATA SEQUENCE IRWTKDPRNT QDHVRSLCLL AWHNGEEEYN KFLAKIRSVP IGRALDLPEY DATA SEQUENCE STLYRRWLDS F 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 175.038 174.900 0.230 0.000 0.946 1 G CA 0.000 45.213 45.100 0.189 0.000 0.502 2 E N 0.876 121.148 120.200 0.121 0.000 2.191 2 E HA 0.646 4.997 4.350 0.001 0.000 0.274 2 E C -0.340 176.243 176.600 -0.028 0.000 0.948 2 E CA -1.003 55.444 56.400 0.079 0.000 0.802 2 E CB 2.260 31.990 29.700 0.050 0.000 1.137 2 E HN 0.402 nan 8.360 nan 0.000 0.397 3 I N 3.275 123.783 120.570 -0.105 0.000 2.598 3 I HA -0.103 4.067 4.170 0.001 0.000 0.284 3 I C 1.159 177.199 176.117 -0.129 0.000 1.140 3 I CA -0.080 61.092 61.300 -0.214 0.000 1.420 3 I CB 0.820 38.632 38.000 -0.314 0.000 1.387 3 I HN 0.598 nan 8.210 nan 0.000 0.553 4 Q N 6.826 126.524 119.800 -0.170 0.000 2.134 4 Q HA 0.085 4.426 4.340 0.001 0.000 0.195 4 Q C -0.074 175.991 176.000 0.109 0.000 0.958 4 Q CA 1.159 56.941 55.803 -0.035 0.000 0.840 4 Q CB 0.392 29.121 28.738 -0.015 0.000 0.918 4 Q HN 0.761 nan 8.270 nan 0.000 0.467 5 W N -1.515 119.785 121.300 0.001 0.000 2.988 5 W HA 0.712 5.373 4.660 0.001 0.000 0.355 5 W C -1.357 175.172 176.519 0.017 0.000 1.233 5 W CA -1.045 56.302 57.345 0.004 0.000 1.176 5 W CB 0.882 30.355 29.460 0.023 0.000 1.477 5 W HN -0.135 nan 8.180 nan 0.000 0.582 6 M N 2.526 122.381 119.600 0.425 0.000 2.265 6 M HA 0.414 4.894 4.480 0.001 0.000 0.262 6 M C -1.567 174.914 176.300 0.300 0.000 1.026 6 M CA -0.147 55.315 55.300 0.271 0.000 0.987 6 M CB 1.836 34.445 32.600 0.016 0.000 1.937 6 M HN 0.571 nan 8.290 nan 0.000 0.481 7 R N 3.643 124.360 120.500 0.362 0.000 2.771 7 R HA 0.640 4.981 4.340 0.001 0.000 0.274 7 R C -2.971 173.439 176.300 0.183 0.000 0.987 7 R CA -1.938 54.298 56.100 0.227 0.000 0.908 7 R CB 1.771 32.181 30.300 0.183 0.000 1.213 7 R HN 0.331 nan 8.270 nan 0.000 0.468 8 P HA -0.007 nan 4.420 nan 0.000 0.266 8 P C 0.148 177.511 177.300 0.105 0.000 1.193 8 P CA 0.428 63.581 63.100 0.089 0.000 0.770 8 P CB 0.639 32.371 31.700 0.053 0.000 0.836 9 S N 1.940 117.704 115.700 0.107 0.000 2.371 9 S HA -0.098 4.372 4.470 0.001 0.000 0.224 9 S C 1.458 176.109 174.600 0.085 0.000 1.029 9 S CA 1.090 59.373 58.200 0.138 0.000 0.978 9 S CB -0.362 62.924 63.200 0.143 0.000 0.833 9 S HN 0.505 nan 8.310 nan 0.000 0.466 10 K N 1.280 121.713 120.400 0.056 0.000 2.147 10 K HA -0.105 4.216 4.320 0.001 0.000 0.205 10 K C 1.916 178.512 176.600 -0.007 0.000 1.049 10 K CA 1.077 57.378 56.287 0.024 0.000 0.936 10 K CB -0.119 32.395 32.500 0.024 0.000 0.722 10 K HN 0.427 nan 8.250 nan 0.000 0.446 11 E N 0.886 121.087 120.200 0.002 0.000 2.515 11 E HA -0.104 4.247 4.350 0.001 0.000 0.201 11 E C 0.296 176.865 176.600 -0.052 0.000 1.071 11 E CA 0.450 56.839 56.400 -0.019 0.000 0.880 11 E CB 0.318 30.017 29.700 -0.001 0.000 0.828 11 E HN 0.002 nan 8.360 nan 0.000 0.540 12 V N -0.927 118.945 119.914 -0.070 0.000 3.440 12 V HA 0.242 4.363 4.120 0.001 0.000 0.301 12 V C 0.700 176.597 176.094 -0.328 0.000 1.555 12 V CA 0.151 62.358 62.300 -0.156 0.000 1.095 12 V CB 1.039 32.823 31.823 -0.064 0.000 0.936 12 V HN 0.304 nan 8.190 nan 0.000 0.452 13 G N 0.260 108.922 108.800 -0.229 0.000 2.137 13 G HA2 -0.270 3.691 3.960 0.001 0.000 0.237 13 G HA3 -0.270 3.691 3.960 0.001 0.000 0.237 13 G C -0.361 174.382 174.900 -0.263 0.000 1.002 13 G CA 0.156 45.107 45.100 -0.249 0.000 0.702 13 G HN 0.403 nan 8.290 nan 0.000 0.515 14 Y N -0.132 120.164 120.300 -0.007 0.000 2.509 14 Y HA 0.634 5.184 4.550 0.001 0.000 0.341 14 Y C -1.875 174.037 175.900 0.020 0.000 1.038 14 Y CA -2.910 55.175 58.100 -0.025 0.000 1.089 14 Y CB 1.660 40.038 38.460 -0.137 0.000 1.241 14 Y HN -0.003 nan 8.280 nan 0.000 0.468 15 P HA 0.296 nan 4.420 nan 0.000 0.277 15 P C -0.621 176.745 177.300 0.109 0.000 1.271 15 P CA -0.354 62.842 63.100 0.158 0.000 0.795 15 P CB 0.985 32.788 31.700 0.170 0.000 1.101 16 I N 0.898 121.513 120.570 0.076 0.000 2.342 16 I HA 0.258 4.429 4.170 0.001 0.000 0.291 16 I C -0.016 176.127 176.117 0.044 0.000 1.010 16 I CA -0.317 61.011 61.300 0.047 0.000 1.308 16 I CB 0.248 38.267 38.000 0.033 0.000 1.400 16 I HN 0.088 nan 8.210 nan 0.000 0.488 17 I N 6.795 127.380 120.570 0.024 0.000 2.382 17 I HA 0.270 4.441 4.170 0.001 0.000 0.285 17 I C -0.185 175.940 176.117 0.013 0.000 1.007 17 I CA -0.180 61.141 61.300 0.035 0.000 1.142 17 I CB 0.798 38.815 38.000 0.029 0.000 1.289 17 I HN 0.460 nan 8.210 nan 0.000 0.453 18 N N 4.802 123.530 118.700 0.047 0.000 2.421 18 N HA 0.691 5.432 4.740 0.001 0.000 0.285 18 N C -0.484 175.104 175.510 0.129 0.000 1.027 18 N CA -0.354 52.725 53.050 0.049 0.000 0.918 18 N CB 2.314 40.819 38.487 0.031 0.000 1.152 18 N HN 0.633 nan 8.380 nan 0.000 0.485 19 A N 2.701 125.623 122.820 0.170 0.000 2.282 19 A HA 0.692 5.013 4.320 0.001 0.000 0.319 19 A C -2.048 175.634 177.584 0.164 0.000 1.121 19 A CA -1.137 51.060 52.037 0.267 0.000 0.836 19 A CB -0.173 19.112 19.000 0.476 0.000 1.146 19 A HN 0.449 nan 8.150 nan 0.000 0.494 20 P HA 0.065 nan 4.420 nan 0.000 0.267 20 P C 0.747 178.096 177.300 0.081 0.000 1.201 20 P CA 0.512 63.662 63.100 0.082 0.000 0.775 20 P CB 0.636 32.371 31.700 0.058 0.000 0.854 21 S N -0.068 115.665 115.700 0.055 0.000 2.511 21 S HA 0.127 4.597 4.470 0.001 0.000 0.214 21 S C 0.424 175.038 174.600 0.023 0.000 0.997 21 S CA 0.010 58.236 58.200 0.043 0.000 0.908 21 S CB 0.020 63.239 63.200 0.030 0.000 0.803 21 S HN 0.334 nan 8.310 nan 0.000 0.504 22 K N 1.563 121.978 120.400 0.024 0.000 2.207 22 K HA 0.423 4.744 4.320 0.001 0.000 0.255 22 K C -0.561 176.046 176.600 0.011 0.000 0.941 22 K CA -0.448 55.847 56.287 0.013 0.000 0.825 22 K CB 1.638 34.148 32.500 0.016 0.000 1.119 22 K HN 0.051 nan 8.250 nan 0.000 0.430 23 T N 1.374 115.929 114.554 0.001 0.000 2.926 23 T HA 0.031 4.382 4.350 0.001 0.000 0.307 23 T C 0.994 175.699 174.700 0.008 0.000 1.059 23 T CA -0.037 62.058 62.100 -0.008 0.000 1.122 23 T CB 0.408 69.257 68.868 -0.033 0.000 0.972 23 T HN 0.357 nan 8.240 nan 0.000 0.545 24 K N 3.244 123.647 120.400 0.004 0.000 2.426 24 K HA 0.228 4.548 4.320 0.001 0.000 0.193 24 K C 0.359 176.986 176.600 0.046 0.000 1.028 24 K CA 0.166 56.465 56.287 0.020 0.000 1.047 24 K CB -0.048 32.457 32.500 0.008 0.000 0.821 24 K HN 0.561 nan 8.250 nan 0.000 0.513 25 L N 2.168 123.416 121.223 0.041 0.000 2.305 25 L HA 0.125 4.465 4.340 0.001 0.000 0.281 25 L C -0.158 176.863 176.870 0.250 0.000 1.085 25 L CA -0.100 54.802 54.840 0.104 0.000 0.813 25 L CB 0.840 42.863 42.059 -0.060 0.000 1.157 25 L HN 0.036 nan 8.230 nan 0.000 0.436 26 E N 3.806 124.228 120.200 0.370 0.000 2.369 26 E HA 0.473 4.824 4.350 0.001 0.000 0.270 26 E C -2.648 174.098 176.600 0.243 0.000 0.909 26 E CA -2.359 54.239 56.400 0.330 0.000 0.775 26 E CB 0.965 30.743 29.700 0.130 0.000 1.270 26 E HN 0.245 nan 8.360 nan 0.000 0.445 27 P HA -0.038 nan 4.420 nan 0.000 0.262 27 P C -0.603 176.537 177.300 -0.266 0.000 1.182 27 P CA 0.361 63.058 63.100 -0.672 0.000 0.761 27 P CB 0.626 31.823 31.700 -0.839 0.000 0.795 28 S N 2.080 117.662 115.700 -0.195 0.000 2.632 28 S HA 0.359 4.830 4.470 0.001 0.000 0.267 28 S C 1.656 176.174 174.600 -0.136 0.000 1.276 28 S CA -0.015 58.159 58.200 -0.044 0.000 0.998 28 S CB 0.474 63.742 63.200 0.114 0.000 0.953 28 S HN 0.465 nan 8.310 nan 0.000 0.547 29 A N 1.248 123.919 122.820 -0.249 0.000 2.139 29 A HA -0.068 4.252 4.320 0.001 0.000 0.221 29 A C 0.894 178.132 177.584 -0.577 0.000 1.159 29 A CA 1.656 53.403 52.037 -0.483 0.000 0.662 29 A CB -0.637 17.919 19.000 -0.740 0.000 0.796 29 A HN 0.698 nan 8.150 nan 0.000 0.463 30 F N -2.437 117.516 119.950 0.005 0.000 2.639 30 F HA 0.217 4.745 4.527 0.001 0.000 0.302 30 F C 1.531 177.340 175.800 0.014 0.000 1.097 30 F CA 0.005 58.045 58.000 0.066 0.000 1.294 30 F CB -0.586 38.511 39.000 0.161 0.000 1.027 30 F HN 0.386 nan 8.300 nan 0.000 0.550 31 H N -0.852 118.111 119.070 -0.179 0.000 2.421 31 H HA -0.162 4.395 4.556 0.001 0.000 0.298 31 H C 1.134 176.136 175.328 -0.543 0.000 1.087 31 H CA 2.148 57.894 56.048 -0.503 0.000 1.330 31 H CB -0.002 29.238 29.762 -0.869 0.000 1.388 31 H HN 0.349 nan 8.280 nan 0.000 0.526 32 Y N -2.024 118.272 120.300 -0.006 0.000 2.444 32 Y HA 0.132 4.683 4.550 0.001 0.000 0.249 32 Y C 2.086 177.930 175.900 -0.093 0.000 1.134 32 Y CA 0.023 58.090 58.100 -0.056 0.000 1.261 32 Y CB 0.659 39.104 38.460 -0.026 0.000 1.143 32 Y HN 0.037 nan 8.280 nan 0.000 0.523 33 V N -0.610 119.311 119.914 0.012 0.000 2.453 33 V HA -0.157 3.964 4.120 0.001 0.000 0.247 33 V C 0.264 176.074 176.094 -0.474 0.000 1.048 33 V CA 1.336 63.501 62.300 -0.225 0.000 1.049 33 V CB -0.425 31.252 31.823 -0.244 0.000 0.672 33 V HN 0.066 nan 8.190 nan 0.000 0.457 34 F N -0.840 119.051 119.950 -0.099 0.000 2.556 34 F HA 0.501 5.029 4.527 0.001 0.000 0.327 34 F C 0.538 176.241 175.800 -0.161 0.000 1.059 34 F CA -1.023 56.868 58.000 -0.181 0.000 0.953 34 F CB 1.041 39.921 39.000 -0.201 0.000 1.227 34 F HN -0.126 nan 8.300 nan 0.000 0.478 35 E N 0.270 120.508 120.200 0.062 0.000 2.345 35 E HA 0.657 5.007 4.350 0.001 0.000 0.259 35 E C -0.156 176.486 176.600 0.070 0.000 1.117 35 E CA -0.478 55.944 56.400 0.037 0.000 0.913 35 E CB 1.509 31.238 29.700 0.047 0.000 1.057 35 E HN 0.826 nan 8.360 nan 0.000 0.432 36 G N -0.953 107.877 108.800 0.049 0.000 2.489 36 G HA2 0.292 4.253 3.960 0.001 0.000 0.291 36 G HA3 0.292 4.253 3.960 0.001 0.000 0.291 36 G C -0.322 174.634 174.900 0.094 0.000 1.487 36 G CA -0.249 44.905 45.100 0.090 0.000 0.795 36 G HN 0.441 nan 8.290 nan 0.000 0.513 37 V N -2.843 117.139 119.914 0.112 0.000 3.432 37 V HA 0.506 4.627 4.120 0.001 0.000 0.298 37 V C 0.451 176.616 176.094 0.119 0.000 1.464 37 V CA 0.121 62.483 62.300 0.104 0.000 1.046 37 V CB -0.195 31.672 31.823 0.073 0.000 0.887 37 V HN 0.424 nan 8.190 nan 0.000 0.441 38 K N 1.756 122.244 120.400 0.147 0.000 2.143 38 K HA 0.665 4.986 4.320 0.001 0.000 0.272 38 K C -0.464 176.193 176.600 0.096 0.000 1.001 38 K CA -0.187 56.154 56.287 0.089 0.000 0.915 38 K CB 1.439 33.959 32.500 0.034 0.000 1.047 38 K HN 0.595 nan 8.250 nan 0.000 0.458 39 E N 2.016 122.176 120.200 -0.067 0.000 2.410 39 E HA 0.345 4.696 4.350 0.001 0.000 0.269 39 E C -2.719 173.645 176.600 -0.394 0.000 0.937 39 E CA -2.566 53.694 56.400 -0.233 0.000 0.793 39 E CB 1.206 30.896 29.700 -0.016 0.000 1.314 39 E HN 0.226 nan 8.360 nan 0.000 0.447 40 P HA -0.008 nan 4.420 nan 0.000 0.266 40 P C -0.928 176.261 177.300 -0.184 0.000 1.195 40 P CA 0.246 63.134 63.100 -0.352 0.000 0.768 40 P CB 0.412 31.933 31.700 -0.298 0.000 0.838 41 A N 3.485 126.223 122.820 -0.136 0.000 2.425 41 A HA 0.199 4.519 4.320 0.001 0.000 0.242 41 A C 0.067 177.613 177.584 -0.063 0.000 1.077 41 A CA -0.371 51.622 52.037 -0.072 0.000 0.781 41 A CB -0.089 18.887 19.000 -0.038 0.000 1.020 41 A HN 0.400 nan 8.150 nan 0.000 0.494 42 V N 2.336 122.216 119.914 -0.058 0.000 2.599 42 V HA -0.039 4.082 4.120 0.001 0.000 0.300 42 V C 0.995 177.008 176.094 -0.134 0.000 1.034 42 V CA 0.308 62.514 62.300 -0.158 0.000 1.115 42 V CB 0.551 32.213 31.823 -0.268 0.000 0.934 42 V HN 0.794 nan 8.190 nan 0.000 0.485 43 L N 4.227 125.352 121.223 -0.163 0.000 2.470 43 L HA 0.225 4.566 4.340 0.001 0.000 0.219 43 L C 1.096 177.940 176.870 -0.043 0.000 1.071 43 L CA 1.241 56.065 54.840 -0.027 0.000 0.850 43 L CB 0.064 42.127 42.059 0.006 0.000 1.040 43 L HN 0.976 nan 8.230 nan 0.000 0.475 44 T N -4.642 109.732 114.554 -0.299 0.000 2.812 44 T HA 0.283 4.634 4.350 0.001 0.000 0.294 44 T C 0.730 175.125 174.700 -0.508 0.000 1.159 44 T CA -0.485 61.486 62.100 -0.215 0.000 1.008 44 T CB 1.579 70.419 68.868 -0.046 0.000 1.289 44 T HN 0.147 nan 8.240 nan 0.000 0.514 45 K N 0.484 120.803 120.400 -0.135 0.000 2.217 45 K HA 0.032 4.352 4.320 0.001 0.000 0.202 45 K C 0.557 177.109 176.600 -0.080 0.000 1.051 45 K CA 0.615 56.872 56.287 -0.051 0.000 0.952 45 K CB -0.384 32.229 32.500 0.189 0.000 0.736 45 K HN 0.334 nan 8.250 nan 0.000 0.453 46 N N 2.525 121.185 118.700 -0.066 0.000 2.878 46 N HA 0.010 4.750 4.740 0.001 0.000 0.282 46 N C -1.142 174.323 175.510 -0.074 0.000 1.284 46 N CA 0.334 53.356 53.050 -0.046 0.000 1.053 46 N CB 0.045 38.521 38.487 -0.018 0.000 1.382 46 N HN 0.300 nan 8.380 nan 0.000 0.529 47 D N 0.261 120.590 120.400 -0.118 0.000 2.344 47 D HA 0.226 4.867 4.640 0.001 0.000 0.239 47 D C -1.692 174.566 176.300 -0.070 0.000 1.064 47 D CA -1.955 51.977 54.000 -0.113 0.000 0.829 47 D CB 2.420 43.105 40.800 -0.191 0.000 1.129 47 D HN -0.061 nan 8.370 nan 0.000 0.506 48 P HA -0.117 nan 4.420 nan 0.000 0.216 48 P C 0.963 178.254 177.300 -0.014 0.000 1.150 48 P CA 1.116 64.205 63.100 -0.018 0.000 0.843 48 P CB 0.255 31.951 31.700 -0.007 0.000 0.787 49 R N -1.177 119.310 120.500 -0.022 0.000 2.280 49 R HA 0.056 4.396 4.340 0.001 0.000 0.207 49 R C 0.620 176.914 176.300 -0.009 0.000 1.043 49 R CA 0.083 56.177 56.100 -0.010 0.000 1.006 49 R CB -0.673 29.620 30.300 -0.011 0.000 0.885 49 R HN 0.257 nan 8.270 nan 0.000 0.467 50 L N 1.978 123.188 121.223 -0.022 0.000 2.477 50 L HA 0.024 4.365 4.340 0.001 0.000 0.272 50 L C 0.670 177.550 176.870 0.016 0.000 1.157 50 L CA 0.521 55.358 54.840 -0.005 0.000 0.889 50 L CB 0.603 42.652 42.059 -0.017 0.000 1.158 50 L HN -0.012 nan 8.230 nan 0.000 0.473 51 K N 2.264 122.680 120.400 0.027 0.000 2.832 51 K HA 0.270 4.591 4.320 0.001 0.000 0.211 51 K C -0.227 176.397 176.600 0.039 0.000 1.112 51 K CA -0.074 56.231 56.287 0.030 0.000 1.108 51 K CB 0.671 33.187 32.500 0.027 0.000 0.899 51 K HN 0.627 nan 8.250 nan 0.000 0.464 52 T N -0.650 113.934 114.554 0.051 0.000 2.676 52 T HA -0.022 4.329 4.350 0.001 0.000 0.308 52 T C -2.074 172.680 174.700 0.089 0.000 1.740 52 T CA -0.868 61.269 62.100 0.062 0.000 0.982 52 T CB 1.229 70.133 68.868 0.059 0.000 1.724 52 T HN 0.239 nan 8.240 nan 0.000 0.497 53 D N 0.871 121.326 120.400 0.093 0.000 2.308 53 D HA 0.377 5.018 4.640 0.001 0.000 0.251 53 D C 0.789 177.198 176.300 0.181 0.000 1.127 53 D CA -0.321 53.754 54.000 0.124 0.000 0.876 53 D CB 0.424 41.281 40.800 0.095 0.000 1.176 53 D HN 0.317 nan 8.370 nan 0.000 0.446 54 F N 3.348 123.318 119.950 0.032 0.000 2.022 54 F HA -0.094 4.434 4.527 0.001 0.000 0.293 54 F C 1.959 177.775 175.800 0.025 0.000 1.142 54 F CA 1.354 59.367 58.000 0.022 0.000 1.177 54 F CB -0.332 38.688 39.000 0.033 0.000 0.982 54 F HN 0.503 nan 8.300 nan 0.000 0.473 55 E N 0.300 120.490 120.200 -0.017 0.000 2.136 55 E HA -0.344 4.007 4.350 0.001 0.000 0.202 55 E C 2.121 178.733 176.600 0.020 0.000 1.019 55 E CA 1.856 58.237 56.400 -0.031 0.000 0.819 55 E CB -0.787 29.020 29.700 0.177 0.000 0.739 55 E HN 0.679 nan 8.360 nan 0.000 0.458 56 E N 0.700 120.926 120.200 0.043 0.000 2.077 56 E HA -0.165 4.186 4.350 0.001 0.000 0.193 56 E C 2.050 178.648 176.600 -0.004 0.000 0.989 56 E CA 1.093 57.520 56.400 0.045 0.000 0.800 56 E CB -0.038 29.691 29.700 0.049 0.000 0.746 56 E HN 0.207 nan 8.360 nan 0.000 0.452 57 A N 1.497 124.287 122.820 -0.051 0.000 1.897 57 A HA -0.097 4.223 4.320 0.001 0.000 0.215 57 A C 2.245 179.717 177.584 -0.187 0.000 1.181 57 A CA 1.350 53.342 52.037 -0.075 0.000 0.620 57 A CB -0.718 18.276 19.000 -0.011 0.000 0.821 57 A HN 0.544 nan 8.150 nan 0.000 0.443 58 I N -5.732 114.600 120.570 -0.396 0.000 2.716 58 I HA 0.102 4.273 4.170 0.001 0.000 0.259 58 I C 1.447 177.221 176.117 -0.572 0.000 1.172 58 I CA 1.119 62.067 61.300 -0.587 0.000 1.478 58 I CB -0.187 37.219 38.000 -0.990 0.000 1.104 58 I HN 0.069 nan 8.210 nan 0.000 0.439 59 F N 1.854 121.670 119.950 -0.224 0.000 2.695 59 F HA 0.179 4.707 4.527 0.001 0.000 0.303 59 F C 2.560 178.325 175.800 -0.058 0.000 1.091 59 F CA 0.256 58.190 58.000 -0.109 0.000 1.300 59 F CB -0.162 38.759 39.000 -0.131 0.000 1.071 59 F HN 0.155 nan 8.300 nan 0.000 0.578 60 S N 0.345 116.067 115.700 0.037 0.000 2.474 60 S HA -0.193 4.278 4.470 0.001 0.000 0.235 60 S C 1.903 176.497 174.600 -0.011 0.000 0.997 60 S CA 0.797 59.011 58.200 0.024 0.000 0.949 60 S CB -0.548 62.649 63.200 -0.005 0.000 0.766 60 S HN 0.575 nan 8.310 nan 0.000 0.517 61 K N 0.197 120.535 120.400 -0.104 0.000 2.057 61 K HA -0.091 4.230 4.320 0.001 0.000 0.206 61 K C -0.184 176.332 176.600 -0.139 0.000 1.050 61 K CA 0.630 56.809 56.287 -0.180 0.000 0.935 61 K CB -0.812 31.486 32.500 -0.337 0.000 0.715 61 K HN 0.407 nan 8.250 nan 0.000 0.439 62 Y N 2.961 123.271 120.300 0.016 0.000 2.784 62 Y HA 0.076 4.627 4.550 0.001 0.000 0.355 62 Y C 0.477 176.382 175.900 0.007 0.000 1.198 62 Y CA -0.630 57.478 58.100 0.013 0.000 1.588 62 Y CB -0.030 38.429 38.460 -0.001 0.000 1.220 62 Y HN -0.002 nan 8.280 nan 0.000 0.517 63 V N -0.057 119.941 119.914 0.140 0.000 3.074 63 V HA 0.904 5.024 4.120 0.001 0.000 0.314 63 V C 0.547 176.691 176.094 0.084 0.000 1.117 63 V CA -1.356 60.998 62.300 0.091 0.000 1.014 63 V CB 1.501 33.361 31.823 0.061 0.000 1.057 63 V HN 0.755 nan 8.190 nan 0.000 0.438 64 G N 1.798 110.636 108.800 0.062 0.000 2.225 64 G HA2 0.044 4.005 3.960 0.001 0.000 0.245 64 G HA3 0.044 4.005 3.960 0.001 0.000 0.245 64 G C 0.549 175.484 174.900 0.059 0.000 1.249 64 G CA 0.190 45.321 45.100 0.052 0.000 0.919 64 G HN 0.838 nan 8.290 nan 0.000 0.486 65 N N 1.857 120.593 118.700 0.059 0.000 2.006 65 N HA -0.101 4.640 4.740 0.001 0.000 0.196 65 N C 1.432 176.982 175.510 0.067 0.000 1.057 65 N CA 1.641 54.734 53.050 0.072 0.000 0.853 65 N CB -0.194 38.332 38.487 0.065 0.000 1.051 65 N HN 0.816 nan 8.380 nan 0.000 0.423 66 K N -1.293 119.134 120.400 0.045 0.000 7.956 66 K HA -0.119 4.202 4.320 0.001 0.000 0.191 66 K C 0.149 176.759 176.600 0.017 0.000 1.595 66 K CA 0.602 56.907 56.287 0.030 0.000 0.918 66 K CB -1.450 31.073 32.500 0.038 0.000 0.395 66 K HN 0.259 nan 8.250 nan 0.000 0.424 67 I N 2.808 123.384 120.570 0.010 0.000 2.826 67 I HA -0.060 4.111 4.170 0.001 0.000 0.295 67 I C 0.994 177.094 176.117 -0.028 0.000 1.213 67 I CA 1.591 62.876 61.300 -0.024 0.000 1.436 67 I CB 0.799 38.773 38.000 -0.045 0.000 1.348 67 I HN 0.786 nan 8.210 nan 0.000 0.570 68 T N 1.789 116.316 114.554 -0.044 0.000 3.041 68 T HA 0.329 4.679 4.350 0.001 0.000 0.276 68 T C 0.344 175.008 174.700 -0.060 0.000 0.948 68 T CA -0.358 61.720 62.100 -0.037 0.000 0.885 68 T CB -0.048 68.810 68.868 -0.017 0.000 1.175 68 T HN 0.726 nan 8.240 nan 0.000 0.529 69 E N 1.380 121.532 120.200 -0.079 0.000 2.175 69 E HA 0.512 4.863 4.350 0.001 0.000 0.278 69 E C -1.035 175.500 176.600 -0.107 0.000 0.969 69 E CA -0.728 55.624 56.400 -0.079 0.000 0.796 69 E CB 2.222 31.883 29.700 -0.065 0.000 1.104 69 E HN 0.088 nan 8.360 nan 0.000 0.395 70 V N 4.956 124.813 119.914 -0.094 0.000 2.387 70 V HA 0.005 4.125 4.120 0.001 0.000 0.260 70 V C 0.090 176.145 176.094 -0.065 0.000 1.054 70 V CA -0.294 61.946 62.300 -0.101 0.000 0.967 70 V CB -0.146 31.634 31.823 -0.071 0.000 1.036 70 V HN 0.674 nan 8.190 nan 0.000 0.481 71 D N 3.198 123.571 120.400 -0.045 0.000 2.478 71 D HA 0.113 4.754 4.640 0.001 0.000 0.269 71 D C 1.239 177.497 176.300 -0.071 0.000 1.232 71 D CA -0.374 53.596 54.000 -0.049 0.000 1.059 71 D CB 0.586 41.378 40.800 -0.013 0.000 1.104 71 D HN 0.569 nan 8.370 nan 0.000 0.566 72 E N -1.052 119.031 120.200 -0.195 0.000 2.204 72 E HA -0.249 4.101 4.350 0.001 0.000 0.195 72 E C 1.663 178.162 176.600 -0.169 0.000 0.990 72 E CA 1.049 57.304 56.400 -0.242 0.000 0.821 72 E CB -0.630 28.821 29.700 -0.415 0.000 0.750 72 E HN 0.636 nan 8.360 nan 0.000 0.477 73 Y N 0.893 121.230 120.300 0.063 0.000 2.206 73 Y HA 0.016 4.567 4.550 0.001 0.000 0.292 73 Y C 2.645 178.585 175.900 0.067 0.000 1.123 73 Y CA 0.791 58.934 58.100 0.071 0.000 1.142 73 Y CB -0.183 38.338 38.460 0.102 0.000 1.006 73 Y HN -0.079 nan 8.280 nan 0.000 0.518 74 M N 0.313 120.030 119.600 0.195 0.000 2.149 74 M HA -0.264 4.217 4.480 0.001 0.000 0.261 74 M C 1.888 178.254 176.300 0.111 0.000 1.064 74 M CA 1.856 57.220 55.300 0.107 0.000 1.102 74 M CB -0.431 32.131 32.600 -0.063 0.000 1.369 74 M HN 0.175 nan 8.290 nan 0.000 0.408 75 K N 0.040 120.483 120.400 0.073 0.000 2.057 75 K HA -0.165 4.156 4.320 0.001 0.000 0.206 75 K C 1.966 178.626 176.600 0.101 0.000 1.050 75 K CA 1.272 57.599 56.287 0.066 0.000 0.935 75 K CB -0.202 32.313 32.500 0.025 0.000 0.715 75 K HN 0.399 nan 8.250 nan 0.000 0.439 76 E N 0.889 121.156 120.200 0.112 0.000 2.106 76 E HA -0.167 4.184 4.350 0.001 0.000 0.192 76 E C 1.947 178.658 176.600 0.185 0.000 0.984 76 E CA 0.855 57.337 56.400 0.137 0.000 0.806 76 E CB 0.003 29.784 29.700 0.135 0.000 0.750 76 E HN 0.297 nan 8.360 nan 0.000 0.458 77 A N 0.590 123.527 122.820 0.195 0.000 1.883 77 A HA -0.176 4.145 4.320 0.001 0.000 0.217 77 A C 2.410 180.160 177.584 0.276 0.000 1.186 77 A CA 1.607 53.781 52.037 0.229 0.000 0.624 77 A CB -0.837 18.293 19.000 0.218 0.000 0.822 77 A HN 0.230 nan 8.150 nan 0.000 0.444 78 V N 0.755 120.808 119.914 0.233 0.000 2.287 78 V HA -0.280 3.841 4.120 0.001 0.000 0.248 78 V C 2.227 178.441 176.094 0.200 0.000 1.053 78 V CA 2.407 64.842 62.300 0.225 0.000 1.027 78 V CB -0.810 31.111 31.823 0.164 0.000 0.646 78 V HN 0.544 nan 8.190 nan 0.000 0.447 79 D N -1.358 119.145 120.400 0.171 0.000 2.117 79 D HA -0.183 4.458 4.640 0.001 0.000 0.197 79 D C 2.067 178.461 176.300 0.157 0.000 0.987 79 D CA 1.514 55.597 54.000 0.139 0.000 0.829 79 D CB -0.383 40.492 40.800 0.124 0.000 0.961 79 D HN 0.562 nan 8.370 nan 0.000 0.460 80 H N -0.487 118.664 119.070 0.135 0.000 2.326 80 H HA -0.171 4.385 4.556 0.001 0.000 0.301 80 H C 2.050 177.496 175.328 0.196 0.000 1.081 80 H CA 1.140 57.273 56.048 0.142 0.000 1.334 80 H CB -0.129 29.717 29.762 0.140 0.000 1.385 80 H HN 0.101 nan 8.280 nan 0.000 0.504 81 Y N 1.267 121.624 120.300 0.094 0.000 2.163 81 Y HA -0.099 4.452 4.550 0.001 0.000 0.288 81 Y C 2.718 178.626 175.900 0.014 0.000 1.136 81 Y CA 1.514 59.646 58.100 0.052 0.000 1.147 81 Y CB -0.957 37.585 38.460 0.137 0.000 0.987 81 Y HN 0.273 nan 8.280 nan 0.000 0.509 82 A N 0.031 122.836 122.820 -0.025 0.000 1.908 82 A HA -0.140 4.181 4.320 0.001 0.000 0.218 82 A C 2.567 180.089 177.584 -0.103 0.000 1.181 82 A CA 1.882 53.857 52.037 -0.103 0.000 0.627 82 A CB -1.679 17.325 19.000 0.007 0.000 0.818 82 A HN 0.564 nan 8.150 nan 0.000 0.445 83 G N -1.209 107.548 108.800 -0.072 0.000 2.450 83 G HA2 -0.275 3.686 3.960 0.001 0.000 0.220 83 G HA3 -0.275 3.686 3.960 0.001 0.000 0.220 83 G C 1.624 176.450 174.900 -0.124 0.000 1.130 83 G CA 1.114 46.165 45.100 -0.083 0.000 0.760 83 G HN 0.627 nan 8.290 nan 0.000 0.557 84 Q N -0.536 119.158 119.800 -0.178 0.000 2.046 84 Q HA 0.073 4.414 4.340 0.001 0.000 0.200 84 Q C 2.644 178.555 176.000 -0.149 0.000 0.975 84 Q CA 0.823 56.535 55.803 -0.152 0.000 0.836 84 Q CB -0.189 28.492 28.738 -0.094 0.000 0.896 84 Q HN 0.492 nan 8.270 nan 0.000 0.428 85 L N -0.038 121.051 121.223 -0.225 0.000 2.275 85 L HA -0.157 4.184 4.340 0.001 0.000 0.215 85 L C 2.354 179.160 176.870 -0.106 0.000 1.119 85 L CA 0.436 55.151 54.840 -0.208 0.000 0.790 85 L CB -0.349 41.552 42.059 -0.264 0.000 0.919 85 L HN 0.365 nan 8.230 nan 0.000 0.443 86 M N -0.205 119.348 119.600 -0.079 0.000 2.229 86 M HA -0.116 4.365 4.480 0.001 0.000 0.264 86 M C 2.534 178.815 176.300 -0.032 0.000 1.063 86 M CA 1.631 56.911 55.300 -0.034 0.000 1.114 86 M CB -0.780 31.805 32.600 -0.024 0.000 1.387 86 M HN 0.396 nan 8.290 nan 0.000 0.420 87 S N 0.221 115.893 115.700 -0.048 0.000 2.507 87 S HA -0.031 4.440 4.470 0.001 0.000 0.235 87 S C 1.699 176.277 174.600 -0.036 0.000 0.988 87 S CA 0.643 58.821 58.200 -0.037 0.000 0.944 87 S CB -0.685 62.490 63.200 -0.042 0.000 0.762 87 S HN 0.501 nan 8.310 nan 0.000 0.526 88 L N 0.545 121.740 121.223 -0.047 0.000 2.509 88 L HA 0.196 4.537 4.340 0.001 0.000 0.222 88 L C -0.160 176.701 176.870 -0.015 0.000 1.123 88 L CA 0.097 54.911 54.840 -0.044 0.000 0.856 88 L CB -0.674 41.334 42.059 -0.086 0.000 0.985 88 L HN 0.147 nan 8.230 nan 0.000 0.456 89 D N 0.933 121.332 120.400 -0.002 0.000 2.746 89 D HA -0.173 4.467 4.640 0.001 0.000 0.241 89 D C -0.219 176.103 176.300 0.035 0.000 1.140 89 D CA 0.573 54.581 54.000 0.015 0.000 0.707 89 D CB -0.856 39.948 40.800 0.008 0.000 1.034 89 D HN 0.181 nan 8.370 nan 0.000 0.423 90 I N 0.592 121.201 120.570 0.066 0.000 2.471 90 I HA 0.006 4.177 4.170 0.001 0.000 0.286 90 I C 1.160 177.353 176.117 0.126 0.000 1.079 90 I CA -0.456 60.915 61.300 0.120 0.000 1.398 90 I CB 0.498 38.613 38.000 0.193 0.000 1.403 90 I HN 0.158 nan 8.210 nan 0.000 0.530 91 N N 4.916 123.676 118.700 0.100 0.000 2.411 91 N HA -0.057 4.684 4.740 0.001 0.000 0.265 91 N C 0.882 176.406 175.510 0.023 0.000 1.266 91 N CA 0.265 53.344 53.050 0.048 0.000 0.889 91 N CB 0.793 39.303 38.487 0.038 0.000 1.069 91 N HN 0.689 nan 8.380 nan 0.000 0.476 92 T N -0.206 114.258 114.554 -0.150 0.000 3.122 92 T HA 0.186 4.536 4.350 0.001 0.000 0.250 92 T C 0.534 174.931 174.700 -0.505 0.000 1.067 92 T CA -0.142 61.633 62.100 -0.543 0.000 0.966 92 T CB 0.061 68.656 68.868 -0.455 0.000 1.002 92 T HN 0.439 nan 8.240 nan 0.000 0.542 93 E N 1.651 121.707 120.200 -0.240 0.000 2.374 93 E HA 0.180 4.530 4.350 0.001 0.000 0.260 93 E C 0.019 176.522 176.600 -0.161 0.000 1.101 93 E CA -0.492 55.800 56.400 -0.180 0.000 0.907 93 E CB 0.708 30.349 29.700 -0.098 0.000 1.014 93 E HN 0.387 nan 8.360 nan 0.000 0.427 94 Q N 1.933 121.646 119.800 -0.145 0.000 2.395 94 Q HA 0.047 4.388 4.340 0.001 0.000 0.271 94 Q C -0.540 175.414 176.000 -0.077 0.000 1.026 94 Q CA 0.164 55.892 55.803 -0.125 0.000 0.900 94 Q CB 0.692 29.362 28.738 -0.112 0.000 1.266 94 Q HN 0.465 nan 8.270 nan 0.000 0.430 95 M N 3.747 123.306 119.600 -0.068 0.000 2.216 95 M HA 0.212 4.693 4.480 0.001 0.000 0.356 95 M C -0.349 175.936 176.300 -0.024 0.000 1.205 95 M CA -0.721 54.559 55.300 -0.033 0.000 1.122 95 M CB 0.412 32.996 32.600 -0.027 0.000 1.571 95 M HN 0.901 nan 8.290 nan 0.000 0.464 96 C N 3.988 123.285 119.300 -0.005 0.000 2.689 96 C HA 0.117 4.578 4.460 0.001 0.000 0.409 96 C C 1.717 176.716 174.990 0.015 0.000 1.293 96 C CA -0.949 58.073 59.018 0.006 0.000 2.136 96 C CB -0.141 27.609 27.740 0.016 0.000 2.719 96 C HN 1.101 nan 8.230 nan 0.000 0.644 97 L N 1.330 122.565 121.223 0.019 0.000 2.051 97 L HA -0.159 4.181 4.340 0.001 0.000 0.214 97 L C 2.656 179.548 176.870 0.036 0.000 1.076 97 L CA 2.520 57.372 54.840 0.020 0.000 0.758 97 L CB -1.162 40.913 42.059 0.027 0.000 0.890 97 L HN 0.983 nan 8.230 nan 0.000 0.433 98 E N -0.997 119.251 120.200 0.081 0.000 2.051 98 E HA -0.255 4.096 4.350 0.001 0.000 0.192 98 E C 1.611 178.316 176.600 0.175 0.000 0.991 98 E CA 1.605 58.110 56.400 0.176 0.000 0.799 98 E CB -0.036 29.760 29.700 0.160 0.000 0.748 98 E HN 0.566 nan 8.360 nan 0.000 0.449 99 D N -0.212 120.250 120.400 0.103 0.000 2.224 99 D HA -0.043 4.598 4.640 0.001 0.000 0.205 99 D C 1.638 177.973 176.300 0.058 0.000 0.965 99 D CA 1.045 55.099 54.000 0.091 0.000 0.852 99 D CB -0.140 40.699 40.800 0.066 0.000 0.947 99 D HN 0.269 nan 8.370 nan 0.000 0.494 100 A N 0.013 122.848 122.820 0.025 0.000 2.015 100 A HA -0.082 4.239 4.320 0.001 0.000 0.219 100 A C 2.107 179.668 177.584 -0.038 0.000 1.163 100 A CA 0.972 53.014 52.037 0.009 0.000 0.646 100 A CB -0.303 18.696 19.000 -0.002 0.000 0.806 100 A HN 0.153 nan 8.150 nan 0.000 0.448 101 M N -2.937 116.585 119.600 -0.129 0.000 2.299 101 M HA 0.087 4.568 4.480 0.001 0.000 0.264 101 M C 1.465 177.518 176.300 -0.411 0.000 1.095 101 M CA 1.241 56.318 55.300 -0.371 0.000 1.165 101 M CB -0.017 32.155 32.600 -0.713 0.000 1.349 101 M HN 0.492 nan 8.290 nan 0.000 0.446 102 Y N 0.179 120.496 120.300 0.030 0.000 2.444 102 Y HA 0.410 4.960 4.550 0.001 0.000 0.249 102 Y C 1.102 177.021 175.900 0.032 0.000 1.134 102 Y CA 0.039 58.154 58.100 0.025 0.000 1.261 102 Y CB 0.629 39.099 38.460 0.018 0.000 1.143 102 Y HN 0.338 nan 8.280 nan 0.000 0.523 103 G N 0.403 109.287 108.800 0.140 0.000 2.662 103 G HA2 0.066 4.026 3.960 0.001 0.000 0.686 103 G HA3 0.066 4.026 3.960 0.001 0.000 0.686 103 G C -0.619 174.347 174.900 0.110 0.000 1.271 103 G CA -0.251 44.918 45.100 0.115 0.000 0.816 103 G HN 0.229 nan 8.290 nan 0.000 0.608 104 T N -1.110 113.502 114.554 0.096 0.000 2.645 104 T HA 0.522 4.873 4.350 0.001 0.000 0.300 104 T C -1.034 173.713 174.700 0.079 0.000 1.210 104 T CA 0.610 62.758 62.100 0.081 0.000 1.034 104 T CB 1.550 70.461 68.868 0.072 0.000 1.537 104 T HN 1.134 nan 8.240 nan 0.000 0.492 105 D N 0.014 120.454 120.400 0.067 0.000 2.502 105 D HA 0.386 5.027 4.640 0.001 0.000 0.249 105 D C 1.330 177.684 176.300 0.090 0.000 1.188 105 D CA 2.312 56.353 54.000 0.067 0.000 0.890 105 D CB -0.321 40.511 40.800 0.053 0.000 1.140 105 D HN 1.086 nan 8.370 nan 0.000 0.505 106 G N 2.730 111.595 108.800 0.109 0.000 2.176 106 G HA2 -0.211 3.749 3.960 0.001 0.000 0.253 106 G HA3 -0.211 3.749 3.960 0.001 0.000 0.253 106 G C -0.115 174.943 174.900 0.262 0.000 0.979 106 G CA 0.230 45.430 45.100 0.166 0.000 0.641 106 G HN 0.665 nan 8.290 nan 0.000 0.530 107 L N 1.073 122.414 121.223 0.196 0.000 2.482 107 L HA 0.643 4.984 4.340 0.001 0.000 0.269 107 L C -0.246 176.708 176.870 0.140 0.000 0.967 107 L CA -1.063 53.909 54.840 0.221 0.000 0.851 107 L CB 1.384 43.559 42.059 0.193 0.000 1.242 107 L HN 0.095 nan 8.230 nan 0.000 0.404 108 E N 2.797 123.063 120.200 0.111 0.000 2.390 108 E HA 0.397 4.748 4.350 0.001 0.000 0.261 108 E C 0.099 176.743 176.600 0.072 0.000 1.076 108 E CA 0.048 56.489 56.400 0.069 0.000 0.905 108 E CB 1.005 30.722 29.700 0.029 0.000 0.984 108 E HN 0.769 nan 8.360 nan 0.000 0.427 109 A N 2.482 125.343 122.820 0.069 0.000 2.475 109 A HA 0.058 4.379 4.320 0.001 0.000 0.239 109 A C 0.488 178.088 177.584 0.026 0.000 1.087 109 A CA -0.221 51.852 52.037 0.061 0.000 0.779 109 A CB -0.024 19.035 19.000 0.098 0.000 1.036 109 A HN 0.583 nan 8.150 nan 0.000 0.506 110 L N 0.759 121.974 121.223 -0.013 0.000 2.506 110 L HA -0.014 4.326 4.340 0.001 0.000 0.281 110 L C 0.660 177.526 176.870 -0.008 0.000 1.228 110 L CA -0.011 54.817 54.840 -0.020 0.000 0.850 110 L CB 0.157 42.178 42.059 -0.065 0.000 1.110 110 L HN 0.700 nan 8.230 nan 0.000 0.496 111 D N 2.934 123.330 120.400 -0.006 0.000 2.344 111 D HA 0.082 4.722 4.640 0.001 0.000 0.253 111 D C 0.836 177.131 176.300 -0.008 0.000 1.255 111 D CA 0.111 54.108 54.000 -0.005 0.000 0.894 111 D CB 0.890 41.684 40.800 -0.009 0.000 1.067 111 D HN 0.360 nan 8.370 nan 0.000 0.492 112 L N 2.782 124.005 121.223 -0.000 0.000 2.610 112 L HA -0.066 4.275 4.340 0.001 0.000 0.232 112 L C 2.001 178.867 176.870 -0.006 0.000 1.149 112 L CA 0.379 55.219 54.840 -0.002 0.000 0.872 112 L CB -0.271 41.798 42.059 0.015 0.000 0.992 112 L HN 0.333 nan 8.230 nan 0.000 0.447 113 S N -1.909 113.786 115.700 -0.008 0.000 2.556 113 S HA 0.033 4.504 4.470 0.001 0.000 0.216 113 S C 0.890 175.478 174.600 -0.020 0.000 0.970 113 S CA -0.074 58.119 58.200 -0.013 0.000 0.912 113 S CB -0.330 62.862 63.200 -0.013 0.000 0.790 113 S HN 0.404 nan 8.310 nan 0.000 0.504 114 T N -1.032 113.510 114.554 -0.020 0.000 2.949 114 T HA 0.626 4.976 4.350 0.001 0.000 0.287 114 T C -0.018 174.672 174.700 -0.017 0.000 1.034 114 T CA -0.643 61.442 62.100 -0.026 0.000 1.018 114 T CB 1.340 70.194 68.868 -0.023 0.000 1.135 114 T HN 0.063 nan 8.240 nan 0.000 0.532 115 S N -0.534 115.156 115.700 -0.017 0.000 2.566 115 S HA 0.381 4.852 4.470 0.001 0.000 0.280 115 S C 1.381 176.004 174.600 0.038 0.000 1.343 115 S CA -0.135 58.073 58.200 0.013 0.000 1.036 115 S CB -0.149 63.065 63.200 0.023 0.000 0.866 115 S HN 1.038 nan 8.310 nan 0.000 0.526 116 A N 3.355 126.209 122.820 0.056 0.000 2.251 116 A HA 0.517 4.837 4.320 0.001 0.000 0.209 116 A C 1.346 179.051 177.584 0.201 0.000 1.187 116 A CA 0.652 52.731 52.037 0.071 0.000 0.823 116 A CB -1.464 17.511 19.000 -0.042 0.000 0.846 116 A HN 1.853 nan 8.150 nan 0.000 0.486 117 G N -0.896 108.014 108.800 0.183 0.000 2.641 117 G HA2 -0.279 3.681 3.960 0.001 0.000 0.254 117 G HA3 -0.279 3.681 3.960 0.001 0.000 0.254 117 G C -0.066 174.936 174.900 0.170 0.000 1.315 117 G CA 0.112 45.332 45.100 0.200 0.000 0.907 117 G HN 1.117 nan 8.290 nan 0.000 0.572 118 Y N 3.014 123.302 120.300 -0.021 0.000 2.425 118 Y HA 0.453 5.004 4.550 0.001 0.000 0.331 118 Y C -0.677 175.002 175.900 -0.367 0.000 1.157 118 Y CA -0.716 57.280 58.100 -0.174 0.000 1.372 118 Y CB 1.552 39.883 38.460 -0.215 0.000 1.253 118 Y HN 0.306 nan 8.280 nan 0.000 0.536 119 P HA -0.003 nan 4.420 nan 0.000 0.267 119 P C 0.422 177.213 177.300 -0.849 0.000 1.289 119 P CA 0.599 62.696 63.100 -1.671 0.000 0.866 119 P CB 0.131 30.690 31.700 -1.901 0.000 1.309 120 Y N -0.010 120.060 120.300 -0.384 0.000 2.315 120 Y HA -0.134 4.417 4.550 0.001 0.000 0.288 120 Y C 2.533 178.368 175.900 -0.108 0.000 1.154 120 Y CA 0.742 58.718 58.100 -0.208 0.000 1.229 120 Y CB -1.728 36.649 38.460 -0.138 0.000 0.980 120 Y HN -0.137 nan 8.280 nan 0.000 0.540 121 V N -0.310 119.632 119.914 0.047 0.000 2.970 121 V HA -0.090 4.031 4.120 0.001 0.000 0.260 121 V C 1.926 178.054 176.094 0.056 0.000 1.100 121 V CA 1.544 63.896 62.300 0.086 0.000 1.122 121 V CB -0.465 31.447 31.823 0.148 0.000 0.721 121 V HN 0.406 nan 8.190 nan 0.000 0.483 122 A N -0.828 121.987 122.820 -0.009 0.000 2.252 122 A HA 0.302 4.623 4.320 0.001 0.000 0.213 122 A C 1.818 179.392 177.584 -0.015 0.000 1.188 122 A CA 0.502 52.541 52.037 0.003 0.000 0.863 122 A CB -0.020 18.986 19.000 0.010 0.000 0.893 122 A HN 0.544 nan 8.150 nan 0.000 0.495 123 M N -1.175 118.401 119.600 -0.039 0.000 2.371 123 M HA 0.271 4.752 4.480 0.001 0.000 0.246 123 M C 1.235 177.550 176.300 0.024 0.000 1.103 123 M CA 0.652 55.943 55.300 -0.015 0.000 1.010 123 M CB 0.455 33.031 32.600 -0.040 0.000 1.457 123 M HN 0.492 nan 8.290 nan 0.000 0.486 124 G N 2.108 110.928 108.800 0.035 0.000 2.143 124 G HA2 -0.273 3.688 3.960 0.001 0.000 0.248 124 G HA3 -0.273 3.688 3.960 0.001 0.000 0.248 124 G C -0.010 174.920 174.900 0.049 0.000 0.991 124 G CA 0.208 45.333 45.100 0.042 0.000 0.689 124 G HN 0.462 nan 8.290 nan 0.000 0.522 125 K N 0.549 120.994 120.400 0.074 0.000 2.205 125 K HA 0.531 4.851 4.320 0.001 0.000 0.279 125 K C 0.526 177.150 176.600 0.042 0.000 1.027 125 K CA -0.336 55.996 56.287 0.074 0.000 0.932 125 K CB 0.495 33.083 32.500 0.148 0.000 1.032 125 K HN 0.248 nan 8.250 nan 0.000 0.466 126 K N 2.526 122.923 120.400 -0.004 0.000 2.221 126 K HA 0.251 4.572 4.320 0.001 0.000 0.243 126 K C 0.567 177.124 176.600 -0.072 0.000 0.968 126 K CA -0.921 55.353 56.287 -0.023 0.000 0.846 126 K CB 1.567 34.063 32.500 -0.008 0.000 1.141 126 K HN 0.369 nan 8.250 nan 0.000 0.434 127 K N 1.249 121.605 120.400 -0.073 0.000 2.074 127 K HA -0.184 4.137 4.320 0.001 0.000 0.209 127 K C 1.746 178.311 176.600 -0.058 0.000 1.048 127 K CA 1.603 57.834 56.287 -0.094 0.000 0.926 127 K CB -0.030 32.432 32.500 -0.064 0.000 0.713 127 K HN 0.427 nan 8.250 nan 0.000 0.444 128 R N 0.790 121.274 120.500 -0.027 0.000 2.159 128 R HA -0.123 4.218 4.340 0.001 0.000 0.237 128 R C 1.552 177.850 176.300 -0.003 0.000 1.131 128 R CA 1.199 57.296 56.100 -0.003 0.000 0.982 128 R CB -0.195 30.107 30.300 0.002 0.000 0.868 128 R HN 0.286 nan 8.270 nan 0.000 0.453 129 D N 0.302 120.691 120.400 -0.018 0.000 2.224 129 D HA -0.054 4.587 4.640 0.001 0.000 0.205 129 D C 1.780 178.070 176.300 -0.017 0.000 0.965 129 D CA 1.013 55.006 54.000 -0.012 0.000 0.852 129 D CB 0.141 40.933 40.800 -0.013 0.000 0.947 129 D HN 0.271 nan 8.370 nan 0.000 0.494 130 I N -0.231 120.311 120.570 -0.047 0.000 2.810 130 I HA -0.036 4.134 4.170 0.001 0.000 0.262 130 I C 0.423 176.543 176.117 0.005 0.000 1.131 130 I CA 0.149 61.419 61.300 -0.051 0.000 1.453 130 I CB 0.345 38.257 38.000 -0.147 0.000 1.161 130 I HN -0.169 nan 8.210 nan 0.000 0.444 131 L N 0.972 122.207 121.223 0.020 0.000 2.360 131 L HA 0.356 4.697 4.340 0.001 0.000 0.271 131 L C -0.090 176.885 176.870 0.175 0.000 1.057 131 L CA 0.105 55.022 54.840 0.128 0.000 0.803 131 L CB 0.661 42.761 42.059 0.069 0.000 1.207 131 L HN 0.043 nan 8.230 nan 0.000 0.445 132 N N 1.161 120.028 118.700 0.279 0.000 2.607 132 N HA 0.184 4.924 4.740 0.001 0.000 0.271 132 N C 0.255 175.728 175.510 -0.061 0.000 1.142 132 N CA -0.269 52.835 53.050 0.090 0.000 0.810 132 N CB 0.914 39.417 38.487 0.026 0.000 1.306 132 N HN 0.507 nan 8.380 nan 0.000 0.536 133 K N 0.923 121.328 120.400 0.008 0.000 2.152 133 K HA -0.216 4.105 4.320 0.001 0.000 0.206 133 K C 1.309 177.777 176.600 -0.220 0.000 1.048 133 K CA 1.346 57.566 56.287 -0.113 0.000 0.933 133 K CB 0.292 32.813 32.500 0.036 0.000 0.721 133 K HN 0.434 nan 8.250 nan 0.000 0.447 134 Q N 0.780 120.501 119.800 -0.132 0.000 2.049 134 Q HA -0.117 4.224 4.340 0.001 0.000 0.198 134 Q C 1.892 177.804 176.000 -0.147 0.000 0.971 134 Q CA 2.449 58.186 55.803 -0.110 0.000 0.833 134 Q CB -0.353 28.349 28.738 -0.060 0.000 0.896 134 Q HN 0.372 nan 8.270 nan 0.000 0.434 135 T N -2.890 111.567 114.554 -0.162 0.000 3.054 135 T HA 0.126 4.477 4.350 0.001 0.000 0.259 135 T C 0.323 174.868 174.700 -0.259 0.000 1.092 135 T CA 0.365 62.372 62.100 -0.154 0.000 1.121 135 T CB -0.153 68.662 68.868 -0.088 0.000 0.912 135 T HN 0.450 nan 8.240 nan 0.000 0.489 136 R N 1.478 121.654 120.500 -0.538 0.000 3.422 136 R HA -0.137 4.204 4.340 0.001 0.000 0.267 136 R C -0.907 175.215 176.300 -0.295 0.000 1.074 136 R CA 0.633 56.123 56.100 -1.017 0.000 0.718 136 R CB -2.358 27.563 30.300 -0.632 0.000 1.157 136 R HN 0.638 nan 8.270 nan 0.000 0.440 137 D N -0.045 120.305 120.400 -0.084 0.000 2.383 137 D HA 0.084 4.725 4.640 0.001 0.000 0.252 137 D C 1.339 177.775 176.300 0.227 0.000 1.166 137 D CA 0.691 54.740 54.000 0.082 0.000 0.879 137 D CB 1.070 41.902 40.800 0.054 0.000 1.164 137 D HN 0.243 nan 8.370 nan 0.000 0.462 138 T N 0.230 114.880 114.554 0.160 0.000 3.001 138 T HA 0.085 4.436 4.350 0.001 0.000 0.251 138 T C 1.450 176.196 174.700 0.076 0.000 1.040 138 T CA -0.105 62.076 62.100 0.135 0.000 0.985 138 T CB -0.047 68.890 68.868 0.115 0.000 1.011 138 T HN 0.308 nan 8.240 nan 0.000 0.509 139 K N 1.347 121.785 120.400 0.063 0.000 2.044 139 K HA -0.181 4.139 4.320 0.001 0.000 0.210 139 K C 2.275 178.900 176.600 0.043 0.000 1.049 139 K CA 1.991 58.305 56.287 0.044 0.000 0.927 139 K CB -0.202 32.319 32.500 0.035 0.000 0.713 139 K HN 0.352 nan 8.250 nan 0.000 0.443 140 E N 1.094 121.322 120.200 0.046 0.000 2.077 140 E HA -0.207 4.143 4.350 0.001 0.000 0.193 140 E C 1.945 178.568 176.600 0.039 0.000 0.989 140 E CA 1.281 57.705 56.400 0.041 0.000 0.800 140 E CB -0.090 29.632 29.700 0.036 0.000 0.746 140 E HN 0.135 nan 8.360 nan 0.000 0.452 141 M N 0.247 119.865 119.600 0.031 0.000 2.086 141 M HA -0.132 4.349 4.480 0.001 0.000 0.261 141 M C 2.168 178.494 176.300 0.044 0.000 1.067 141 M CA 1.900 57.211 55.300 0.018 0.000 1.116 141 M CB -0.577 32.017 32.600 -0.011 0.000 1.348 141 M HN 0.142 nan 8.290 nan 0.000 0.407 142 Q N 0.604 120.428 119.800 0.041 0.000 2.045 142 Q HA -0.258 4.083 4.340 0.001 0.000 0.206 142 Q C 2.076 178.101 176.000 0.043 0.000 0.991 142 Q CA 2.649 58.476 55.803 0.041 0.000 0.851 142 Q CB -0.558 28.201 28.738 0.035 0.000 0.911 142 Q HN 0.627 nan 8.270 nan 0.000 0.418 143 K N -0.515 119.909 120.400 0.040 0.000 2.074 143 K HA -0.181 4.140 4.320 0.001 0.000 0.209 143 K C 1.965 178.593 176.600 0.047 0.000 1.048 143 K CA 1.648 57.954 56.287 0.032 0.000 0.926 143 K CB -0.246 32.274 32.500 0.033 0.000 0.713 143 K HN 0.350 nan 8.250 nan 0.000 0.444 144 L N 0.704 121.989 121.223 0.103 0.000 2.109 144 L HA -0.126 4.214 4.340 0.001 0.000 0.207 144 L C 2.411 179.407 176.870 0.210 0.000 1.086 144 L CA 0.593 55.562 54.840 0.214 0.000 0.760 144 L CB -0.324 41.917 42.059 0.304 0.000 0.910 144 L HN 0.201 nan 8.230 nan 0.000 0.437 145 L N -0.173 121.135 121.223 0.141 0.000 2.012 145 L HA -0.268 4.073 4.340 0.001 0.000 0.210 145 L C 2.254 179.163 176.870 0.065 0.000 1.073 145 L CA 1.284 56.193 54.840 0.114 0.000 0.748 145 L CB -0.609 41.499 42.059 0.082 0.000 0.891 145 L HN 0.306 nan 8.230 nan 0.000 0.431 146 D N -0.958 119.459 120.400 0.029 0.000 2.144 146 D HA -0.141 4.500 4.640 0.001 0.000 0.199 146 D C 2.176 178.433 176.300 -0.071 0.000 0.984 146 D CA 1.586 55.579 54.000 -0.012 0.000 0.834 146 D CB -0.225 40.566 40.800 -0.015 0.000 0.955 146 D HN 0.271 nan 8.370 nan 0.000 0.465 147 T N -0.535 113.938 114.554 -0.136 0.000 2.851 147 T HA -0.091 4.260 4.350 0.001 0.000 0.262 147 T C 1.288 175.687 174.700 -0.502 0.000 1.043 147 T CA 0.883 62.752 62.100 -0.384 0.000 1.140 147 T CB -0.114 68.390 68.868 -0.608 0.000 0.872 147 T HN 0.202 nan 8.240 nan 0.000 0.446 148 Y N 0.425 120.732 120.300 0.011 0.000 2.430 148 Y HA 0.448 4.999 4.550 0.001 0.000 0.248 148 Y C 1.703 177.607 175.900 0.006 0.000 1.108 148 Y CA -0.295 57.799 58.100 -0.010 0.000 1.264 148 Y CB -0.093 38.325 38.460 -0.071 0.000 1.172 148 Y HN 0.355 nan 8.280 nan 0.000 0.520 149 G N 1.922 110.792 108.800 0.117 0.000 2.601 149 G HA2 -0.301 3.660 3.960 0.001 0.000 0.261 149 G HA3 -0.301 3.660 3.960 0.001 0.000 0.261 149 G C -0.015 174.931 174.900 0.077 0.000 1.289 149 G CA 0.121 45.263 45.100 0.070 0.000 0.920 149 G HN 0.472 nan 8.290 nan 0.000 0.571 150 I N -3.819 116.757 120.570 0.010 0.000 3.617 150 I HA 0.745 4.916 4.170 0.001 0.000 0.283 150 I C 0.934 176.984 176.117 -0.111 0.000 1.160 150 I CA -0.438 60.849 61.300 -0.022 0.000 1.084 150 I CB 1.498 39.474 38.000 -0.040 0.000 1.365 150 I HN 0.695 nan 8.210 nan 0.000 0.494 151 N N 0.837 119.433 118.700 -0.174 0.000 2.735 151 N HA -0.126 4.615 4.740 0.001 0.000 0.248 151 N C -0.684 174.743 175.510 -0.139 0.000 1.083 151 N CA 0.588 53.503 53.050 -0.225 0.000 0.703 151 N CB -1.073 37.186 38.487 -0.380 0.000 1.005 151 N HN 0.451 nan 8.380 nan 0.000 0.550 152 L N 0.733 121.914 121.223 -0.070 0.000 2.466 152 L HA 0.392 4.733 4.340 0.001 0.000 0.257 152 L C -1.384 175.378 176.870 -0.179 0.000 1.189 152 L CA -1.339 53.467 54.840 -0.056 0.000 0.813 152 L CB 0.074 42.187 42.059 0.090 0.000 1.118 152 L HN -0.065 nan 8.230 nan 0.000 0.471 153 P HA 0.209 nan 4.420 nan 0.000 0.274 153 P C -1.038 176.058 177.300 -0.340 0.000 1.231 153 P CA -0.417 62.392 63.100 -0.486 0.000 0.790 153 P CB 0.856 32.034 31.700 -0.870 0.000 0.951 154 L N 1.598 122.613 121.223 -0.347 0.000 2.334 154 L HA 0.286 4.627 4.340 0.001 0.000 0.277 154 L C 0.183 176.997 176.870 -0.094 0.000 1.075 154 L CA -0.593 54.158 54.840 -0.148 0.000 0.804 154 L CB 1.178 43.188 42.059 -0.082 0.000 1.174 154 L HN 0.117 nan 8.230 nan 0.000 0.438 155 V N 1.387 121.302 119.914 0.003 0.000 2.364 155 V HA 0.272 4.393 4.120 0.001 0.000 0.272 155 V C 0.278 176.323 176.094 -0.081 0.000 1.036 155 V CA -0.662 61.601 62.300 -0.062 0.000 0.880 155 V CB 0.927 32.732 31.823 -0.030 0.000 0.991 155 V HN 0.778 nan 8.190 nan 0.000 0.460 156 T N 5.817 120.332 114.554 -0.066 0.000 2.851 156 T HA 0.486 4.837 4.350 0.001 0.000 0.298 156 T C -0.690 173.908 174.700 -0.169 0.000 0.977 156 T CA 0.380 62.487 62.100 0.011 0.000 1.126 156 T CB 0.024 68.987 68.868 0.157 0.000 0.916 156 T HN 0.491 nan 8.240 nan 0.000 0.529 157 Y N 0.590 120.972 120.300 0.137 0.000 2.545 157 Y HA 0.488 5.039 4.550 0.001 0.000 0.348 157 Y C -0.043 175.891 175.900 0.057 0.000 1.002 157 Y CA -1.312 56.871 58.100 0.138 0.000 1.039 157 Y CB 1.349 39.872 38.460 0.106 0.000 1.271 157 Y HN 0.298 nan 8.280 nan 0.000 0.467 158 V N 2.389 122.450 119.914 0.245 0.000 2.583 158 V HA 0.158 4.278 4.120 0.001 0.000 0.287 158 V C 0.048 176.212 176.094 0.117 0.000 1.051 158 V CA -1.052 61.326 62.300 0.130 0.000 1.010 158 V CB 1.096 33.029 31.823 0.183 0.000 0.988 158 V HN 0.607 nan 8.190 nan 0.000 0.478 159 K N 3.066 123.498 120.400 0.055 0.000 2.349 159 K HA 0.095 4.416 4.320 0.001 0.000 0.288 159 K C -0.217 176.386 176.600 0.006 0.000 1.058 159 K CA -0.395 55.907 56.287 0.024 0.000 0.953 159 K CB 0.345 32.842 32.500 -0.004 0.000 0.997 159 K HN 0.741 nan 8.250 nan 0.000 0.477 160 D N 5.139 125.536 120.400 -0.006 0.000 2.374 160 D HA 0.055 4.696 4.640 0.001 0.000 0.240 160 D C -0.857 175.405 176.300 -0.063 0.000 1.229 160 D CA 0.137 54.118 54.000 -0.031 0.000 0.895 160 D CB 0.259 41.044 40.800 -0.025 0.000 1.046 160 D HN 0.679 nan 8.370 nan 0.000 0.498 161 E N 2.023 122.169 120.200 -0.090 0.000 2.439 161 E HA 0.312 4.663 4.350 0.001 0.000 0.279 161 E C -1.095 175.404 176.600 -0.169 0.000 1.077 161 E CA -0.964 55.364 56.400 -0.118 0.000 0.849 161 E CB 0.362 30.009 29.700 -0.089 0.000 1.408 161 E HN 0.169 nan 8.360 nan 0.000 0.457 162 L N 1.258 122.360 121.223 -0.202 0.000 2.349 162 L HA 0.527 4.868 4.340 0.001 0.000 0.275 162 L C 0.141 176.921 176.870 -0.151 0.000 1.115 162 L CA -0.685 54.001 54.840 -0.258 0.000 0.820 162 L CB 0.432 42.308 42.059 -0.305 0.000 1.135 162 L HN 0.397 nan 8.230 nan 0.000 0.445 163 R N 1.161 121.580 120.500 -0.134 0.000 2.795 163 R HA 0.403 4.743 4.340 0.001 0.000 0.275 163 R C -0.435 175.837 176.300 -0.046 0.000 0.981 163 R CA -0.792 55.264 56.100 -0.073 0.000 0.917 163 R CB 1.951 32.218 30.300 -0.056 0.000 1.202 163 R HN 0.750 nan 8.270 nan 0.000 0.469 164 S N 0.434 116.121 115.700 -0.021 0.000 2.587 164 S HA 0.022 4.493 4.470 0.001 0.000 0.260 164 S C 1.239 175.844 174.600 0.008 0.000 1.353 164 S CA -0.172 58.029 58.200 0.002 0.000 0.995 164 S CB 1.070 64.274 63.200 0.007 0.000 0.912 164 S HN 0.655 nan 8.310 nan 0.000 0.568 165 K N 0.398 120.812 120.400 0.024 0.000 2.009 165 K HA -0.155 4.165 4.320 0.001 0.000 0.210 165 K C 2.277 178.890 176.600 0.022 0.000 1.049 165 K CA 2.110 58.414 56.287 0.029 0.000 0.929 165 K CB -1.233 31.290 32.500 0.039 0.000 0.714 165 K HN 0.942 nan 8.250 nan 0.000 0.440 166 T N -0.610 113.957 114.554 0.021 0.000 2.881 166 T HA -0.050 4.301 4.350 0.001 0.000 0.270 166 T C 1.571 176.282 174.700 0.018 0.000 1.068 166 T CA 0.934 63.046 62.100 0.020 0.000 1.131 166 T CB -0.034 68.846 68.868 0.019 0.000 0.871 166 T HN 0.199 nan 8.240 nan 0.000 0.479 167 K N 0.610 121.018 120.400 0.012 0.000 2.418 167 K HA 0.194 4.514 4.320 0.001 0.000 0.195 167 K C 2.011 178.620 176.600 0.015 0.000 1.035 167 K CA 0.345 56.638 56.287 0.010 0.000 1.003 167 K CB 0.076 32.575 32.500 -0.002 0.000 0.793 167 K HN 0.327 nan 8.250 nan 0.000 0.494 168 V N 1.123 121.043 119.914 0.011 0.000 2.599 168 V HA -0.104 4.016 4.120 0.001 0.000 0.245 168 V C 1.867 177.970 176.094 0.015 0.000 1.046 168 V CA 1.277 63.580 62.300 0.006 0.000 1.065 168 V CB -0.144 31.675 31.823 -0.006 0.000 0.703 168 V HN 0.253 nan 8.190 nan 0.000 0.464 169 E N -0.037 120.175 120.200 0.020 0.000 2.047 169 E HA -0.187 4.164 4.350 0.001 0.000 0.191 169 E C 1.970 178.592 176.600 0.037 0.000 0.987 169 E CA 0.933 57.348 56.400 0.024 0.000 0.799 169 E CB -0.085 29.630 29.700 0.025 0.000 0.752 169 E HN 0.442 nan 8.360 nan 0.000 0.449 170 Q N -0.275 119.548 119.800 0.039 0.000 2.466 170 Q HA 0.033 4.373 4.340 0.001 0.000 0.210 170 Q C 0.818 176.861 176.000 0.072 0.000 0.961 170 Q CA 0.726 56.557 55.803 0.046 0.000 0.953 170 Q CB 0.386 29.143 28.738 0.032 0.000 1.011 170 Q HN 0.432 nan 8.270 nan 0.000 0.516 171 G N 1.859 110.719 108.800 0.100 0.000 2.321 171 G HA2 -0.330 3.630 3.960 0.001 0.000 0.287 171 G HA3 -0.330 3.630 3.960 0.001 0.000 0.287 171 G C 0.127 175.122 174.900 0.159 0.000 1.018 171 G CA 0.443 45.666 45.100 0.206 0.000 0.855 171 G HN 0.341 nan 8.290 nan 0.000 0.507 172 K N 1.069 121.511 120.400 0.069 0.000 3.006 172 K HA 0.274 4.595 4.320 0.001 0.000 0.265 172 K C 0.671 177.278 176.600 0.011 0.000 1.279 172 K CA -0.087 56.208 56.287 0.013 0.000 1.229 172 K CB 0.175 32.673 32.500 -0.004 0.000 1.555 172 K HN 0.316 nan 8.250 nan 0.000 0.300 173 S N 1.049 116.784 115.700 0.057 0.000 2.603 173 S HA 0.250 4.721 4.470 0.001 0.000 0.268 173 S C 0.392 174.959 174.600 -0.055 0.000 1.317 173 S CA -0.529 57.695 58.200 0.040 0.000 1.012 173 S CB 1.048 64.352 63.200 0.174 0.000 0.926 173 S HN 0.376 nan 8.310 nan 0.000 0.539 174 R N 0.876 121.344 120.500 -0.053 0.000 2.540 174 R HA 0.507 4.848 4.340 0.001 0.000 0.287 174 R C -0.809 175.436 176.300 -0.090 0.000 0.980 174 R CA -0.580 55.469 56.100 -0.086 0.000 0.966 174 R CB 0.747 31.010 30.300 -0.062 0.000 1.106 174 R HN 0.486 nan 8.270 nan 0.000 0.480 175 L N 3.691 124.837 121.223 -0.128 0.000 2.309 175 L HA 0.492 4.832 4.340 0.001 0.000 0.282 175 L C -0.171 176.686 176.870 -0.021 0.000 1.036 175 L CA -0.700 54.072 54.840 -0.114 0.000 0.806 175 L CB 1.438 43.366 42.059 -0.218 0.000 1.220 175 L HN 0.428 nan 8.230 nan 0.000 0.429 176 I N 2.917 123.518 120.570 0.052 0.000 2.392 176 I HA 0.196 4.367 4.170 0.001 0.000 0.295 176 I C -0.230 175.982 176.117 0.159 0.000 0.985 176 I CA -0.515 60.852 61.300 0.111 0.000 1.221 176 I CB 1.506 39.601 38.000 0.159 0.000 1.366 176 I HN 0.500 nan 8.210 nan 0.000 0.467 177 E N 6.257 126.552 120.200 0.159 0.000 2.101 177 E HA 0.372 4.723 4.350 0.001 0.000 0.260 177 E C -0.530 176.186 176.600 0.193 0.000 0.897 177 E CA -0.650 55.870 56.400 0.200 0.000 0.744 177 E CB 1.639 31.486 29.700 0.245 0.000 1.140 177 E HN 0.577 nan 8.360 nan 0.000 0.419 178 A N 2.986 125.950 122.820 0.238 0.000 2.444 178 A HA 0.136 4.457 4.320 0.001 0.000 0.287 178 A C 0.761 178.438 177.584 0.155 0.000 1.195 178 A CA -0.094 52.077 52.037 0.223 0.000 0.858 178 A CB -0.012 19.202 19.000 0.357 0.000 1.117 178 A HN 0.446 nan 8.150 nan 0.000 0.521 179 S N 2.843 118.618 115.700 0.125 0.000 2.568 179 S HA 0.249 4.720 4.470 0.001 0.000 0.282 179 S C 0.780 175.450 174.600 0.117 0.000 1.338 179 S CA 0.203 58.466 58.200 0.105 0.000 1.045 179 S CB 0.424 63.688 63.200 0.106 0.000 0.873 179 S HN 1.101 nan 8.310 nan 0.000 0.516 180 S N 2.938 118.707 115.700 0.115 0.000 2.576 180 S HA 0.157 4.627 4.470 0.001 0.000 0.276 180 S C 1.249 175.940 174.600 0.152 0.000 1.339 180 S CA -0.729 57.564 58.200 0.155 0.000 1.039 180 S CB 0.487 63.775 63.200 0.147 0.000 0.902 180 S HN 0.772 nan 8.310 nan 0.000 0.516 181 L N 4.972 126.298 121.223 0.172 0.000 2.051 181 L HA -0.141 4.199 4.340 0.001 0.000 0.214 181 L C 1.811 178.746 176.870 0.107 0.000 1.076 181 L CA 2.124 57.014 54.840 0.083 0.000 0.758 181 L CB -1.426 40.600 42.059 -0.055 0.000 0.890 181 L HN 0.747 nan 8.230 nan 0.000 0.433 182 N N -0.081 118.729 118.700 0.184 0.000 2.069 182 N HA -0.180 4.561 4.740 0.001 0.000 0.191 182 N C 1.614 177.207 175.510 0.137 0.000 1.031 182 N CA 1.651 54.798 53.050 0.163 0.000 0.852 182 N CB -0.468 38.138 38.487 0.197 0.000 1.018 182 N HN 0.443 nan 8.380 nan 0.000 0.423 183 D N -0.176 120.306 120.400 0.136 0.000 2.144 183 D HA -0.019 4.622 4.640 0.001 0.000 0.200 183 D C 1.726 178.134 176.300 0.179 0.000 0.978 183 D CA 0.783 54.873 54.000 0.150 0.000 0.833 183 D CB -0.094 40.779 40.800 0.121 0.000 0.961 183 D HN 0.150 nan 8.370 nan 0.000 0.470 184 S N 0.067 115.853 115.700 0.144 0.000 2.368 184 S HA -0.086 4.384 4.470 0.001 0.000 0.224 184 S C 2.313 176.990 174.600 0.128 0.000 1.029 184 S CA 0.392 58.676 58.200 0.140 0.000 0.988 184 S CB -0.103 63.154 63.200 0.096 0.000 0.838 184 S HN 0.080 nan 8.310 nan 0.000 0.462 185 V N 1.835 121.804 119.914 0.092 0.000 2.427 185 V HA -0.157 3.964 4.120 0.001 0.000 0.248 185 V C 2.544 178.687 176.094 0.081 0.000 1.051 185 V CA 1.630 63.967 62.300 0.062 0.000 1.048 185 V CB -1.037 30.803 31.823 0.029 0.000 0.666 185 V HN 0.534 nan 8.190 nan 0.000 0.456 186 A N -0.857 122.043 122.820 0.132 0.000 1.897 186 A HA -0.131 4.190 4.320 0.001 0.000 0.215 186 A C 2.213 179.861 177.584 0.107 0.000 1.181 186 A CA 1.471 53.606 52.037 0.163 0.000 0.620 186 A CB -0.396 18.780 19.000 0.293 0.000 0.821 186 A HN 0.367 nan 8.150 nan 0.000 0.443 187 M N -0.379 119.347 119.600 0.210 0.000 2.108 187 M HA -0.116 4.365 4.480 0.001 0.000 0.261 187 M C 2.157 178.531 176.300 0.123 0.000 1.066 187 M CA 1.555 57.001 55.300 0.244 0.000 1.107 187 M CB -1.100 31.757 32.600 0.428 0.000 1.356 187 M HN 0.395 nan 8.290 nan 0.000 0.406 188 R N -0.850 119.725 120.500 0.125 0.000 2.148 188 R HA 0.033 4.374 4.340 0.001 0.000 0.223 188 R C 2.247 178.506 176.300 -0.067 0.000 1.088 188 R CA 0.952 57.088 56.100 0.061 0.000 0.985 188 R CB -0.136 30.246 30.300 0.137 0.000 0.880 188 R HN 0.350 nan 8.270 nan 0.000 0.451 189 M N -0.246 119.309 119.600 -0.075 0.000 2.132 189 M HA -0.096 4.384 4.480 0.001 0.000 0.263 189 M C 2.430 178.594 176.300 -0.226 0.000 1.065 189 M CA 1.631 56.865 55.300 -0.110 0.000 1.122 189 M CB -0.221 32.339 32.600 -0.067 0.000 1.365 189 M HN 0.261 nan 8.290 nan 0.000 0.411 190 A N 0.086 122.655 122.820 -0.418 0.000 1.845 190 A HA -0.133 4.188 4.320 0.001 0.000 0.215 190 A C 1.379 178.572 177.584 -0.651 0.000 1.195 190 A CA 1.648 53.222 52.037 -0.772 0.000 0.616 190 A CB -0.661 17.404 19.000 -1.557 0.000 0.832 190 A HN 0.495 nan 8.150 nan 0.000 0.443 191 F N -0.630 119.166 119.950 -0.257 0.000 2.661 191 F HA 0.303 4.831 4.527 0.001 0.000 0.306 191 F C 2.135 177.458 175.800 -0.795 0.000 1.094 191 F CA -0.314 57.419 58.000 -0.444 0.000 1.254 191 F CB -0.383 38.254 39.000 -0.605 0.000 1.040 191 F HN 0.228 nan 8.300 nan 0.000 0.562 192 G N 0.668 109.241 108.800 -0.377 0.000 2.440 192 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 192 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 192 G C 1.696 176.531 174.900 -0.108 0.000 1.154 192 G CA 0.986 45.930 45.100 -0.260 0.000 0.767 192 G HN 0.227 nan 8.290 nan 0.000 0.552 193 N N -0.020 118.679 118.700 -0.002 0.000 2.396 193 N HA -0.030 4.711 4.740 0.001 0.000 0.180 193 N C 1.971 177.563 175.510 0.136 0.000 1.028 193 N CA 0.585 53.691 53.050 0.095 0.000 0.893 193 N CB -0.029 38.539 38.487 0.135 0.000 0.967 193 N HN 0.336 nan 8.380 nan 0.000 0.440 194 L N 0.085 121.348 121.223 0.067 0.000 2.068 194 L HA -0.011 4.330 4.340 0.001 0.000 0.204 194 L C 1.710 178.614 176.870 0.056 0.000 1.076 194 L CA 1.393 56.225 54.840 -0.012 0.000 0.753 194 L CB -0.796 41.037 42.059 -0.377 0.000 0.910 194 L HN -0.029 nan 8.230 nan 0.000 0.439 195 Y N 0.431 120.637 120.300 -0.157 0.000 2.151 195 Y HA -0.179 4.372 4.550 0.001 0.000 0.284 195 Y C 2.700 178.303 175.900 -0.495 0.000 1.166 195 Y CA 0.822 58.677 58.100 -0.408 0.000 1.163 195 Y CB -1.742 36.506 38.460 -0.354 0.000 0.974 195 Y HN 0.331 nan 8.280 nan 0.000 0.511 196 A N 0.004 122.803 122.820 -0.035 0.000 1.898 196 A HA -0.022 4.299 4.320 0.001 0.000 0.216 196 A C 2.549 180.161 177.584 0.048 0.000 1.181 196 A CA 1.747 53.791 52.037 0.012 0.000 0.620 196 A CB -1.127 17.916 19.000 0.072 0.000 0.819 196 A HN 0.371 nan 8.150 nan 0.000 0.442 197 A N -1.082 121.785 122.820 0.078 0.000 1.902 197 A HA -0.031 4.289 4.320 0.001 0.000 0.217 197 A C 1.958 179.573 177.584 0.052 0.000 1.181 197 A CA 1.575 53.654 52.037 0.070 0.000 0.623 197 A CB -0.739 18.308 19.000 0.079 0.000 0.818 197 A HN 0.444 nan 8.150 nan 0.000 0.443 198 F N -0.183 119.726 119.950 -0.067 0.000 2.075 198 F HA -0.151 4.376 4.527 0.001 0.000 0.297 198 F C 2.423 178.247 175.800 0.040 0.000 1.113 198 F CA 2.029 60.006 58.000 -0.039 0.000 1.218 198 F CB -0.847 38.104 39.000 -0.082 0.000 0.984 198 F HN 0.401 nan 8.300 nan 0.000 0.472 199 H N -0.734 118.437 119.070 0.169 0.000 2.422 199 H HA -0.150 4.406 4.556 0.001 0.000 0.298 199 H C 1.857 177.204 175.328 0.032 0.000 1.098 199 H CA 1.218 57.306 56.048 0.065 0.000 1.315 199 H CB -0.106 29.690 29.762 0.056 0.000 1.382 199 H HN 0.236 nan 8.280 nan 0.000 0.523 200 K N 0.263 120.755 120.400 0.153 0.000 2.365 200 K HA 0.028 4.349 4.320 0.001 0.000 0.197 200 K C 0.237 176.863 176.600 0.045 0.000 1.042 200 K CA 0.323 56.660 56.287 0.083 0.000 0.987 200 K CB 0.476 33.016 32.500 0.066 0.000 0.779 200 K HN 0.318 nan 8.250 nan 0.000 0.484 201 N N 1.689 120.399 118.700 0.017 0.000 2.696 201 N HA 0.153 4.894 4.740 0.001 0.000 0.308 201 N C -2.830 172.674 175.510 -0.010 0.000 1.915 201 N CA -0.975 52.067 53.050 -0.013 0.000 0.906 201 N CB 1.246 39.689 38.487 -0.073 0.000 1.284 201 N HN 0.059 nan 8.380 nan 0.000 0.488 202 P HA 0.176 nan 4.420 nan 0.000 0.266 202 P C 0.569 177.985 177.300 0.193 0.000 1.195 202 P CA 0.820 63.933 63.100 0.021 0.000 0.768 202 P CB 1.200 32.779 31.700 -0.201 0.000 0.838 203 G N 0.585 109.546 108.800 0.269 0.000 2.320 203 G HA2 0.064 4.025 3.960 0.001 0.000 0.274 203 G HA3 0.064 4.025 3.960 0.001 0.000 0.274 203 G C 0.346 175.337 174.900 0.152 0.000 1.324 203 G CA -0.183 45.085 45.100 0.280 0.000 0.957 203 G HN 0.378 nan 8.290 nan 0.000 0.481 204 V N -0.882 119.090 119.914 0.096 0.000 3.506 204 V HA 0.261 4.382 4.120 0.001 0.000 0.263 204 V C 2.241 178.377 176.094 0.069 0.000 1.203 204 V CA 1.250 63.590 62.300 0.067 0.000 1.133 204 V CB -0.459 31.388 31.823 0.041 0.000 0.802 204 V HN 0.604 nan 8.190 nan 0.000 0.459 205 I N 2.743 123.338 120.570 0.042 0.000 2.235 205 I HA -0.104 4.067 4.170 0.001 0.000 0.241 205 I C 2.872 178.993 176.117 0.007 0.000 1.085 205 I CA 2.236 63.544 61.300 0.013 0.000 1.378 205 I CB -1.935 36.046 38.000 -0.032 0.000 1.076 205 I HN 0.530 nan 8.210 nan 0.000 0.415 206 T N -0.815 113.691 114.554 -0.080 0.000 2.995 206 T HA 0.059 4.410 4.350 0.001 0.000 0.269 206 T C 1.629 176.431 174.700 0.171 0.000 1.091 206 T CA 0.725 62.718 62.100 -0.179 0.000 1.128 206 T CB -0.791 67.756 68.868 -0.535 0.000 0.891 206 T HN 0.543 nan 8.240 nan 0.000 0.492 207 G N 0.832 109.719 108.800 0.144 0.000 2.305 207 G HA2 -0.192 3.769 3.960 0.001 0.000 0.287 207 G HA3 -0.192 3.769 3.960 0.001 0.000 0.287 207 G C 0.029 175.022 174.900 0.156 0.000 1.036 207 G CA 0.471 45.652 45.100 0.135 0.000 0.887 207 G HN 1.114 nan 8.290 nan 0.000 0.505 208 S N -1.464 114.340 115.700 0.173 0.000 2.541 208 S HA 0.790 5.261 4.470 0.001 0.000 0.280 208 S C 0.649 175.333 174.600 0.140 0.000 1.112 208 S CA 0.418 58.725 58.200 0.179 0.000 0.925 208 S CB 1.773 65.165 63.200 0.320 0.000 1.067 208 S HN 1.623 nan 8.310 nan 0.000 0.479 209 A N 3.397 126.286 122.820 0.115 0.000 2.348 209 A HA 0.440 4.761 4.320 0.001 0.000 0.224 209 A C 0.336 177.836 177.584 -0.141 0.000 1.227 209 A CA -0.050 52.044 52.037 0.094 0.000 0.885 209 A CB -0.215 19.083 19.000 0.496 0.000 0.933 209 A HN 0.790 nan 8.150 nan 0.000 0.506 210 V N 0.643 120.319 119.914 -0.397 0.000 2.557 210 V HA 0.353 4.474 4.120 0.001 0.000 0.301 210 V C 1.616 177.646 176.094 -0.107 0.000 1.026 210 V CA 1.522 63.594 62.300 -0.379 0.000 1.137 210 V CB -0.125 31.514 31.823 -0.308 0.000 0.917 210 V HN 1.103 nan 8.190 nan 0.000 0.484 211 G N 2.910 111.648 108.800 -0.103 0.000 2.194 211 G HA2 -0.245 3.716 3.960 0.001 0.000 0.236 211 G HA3 -0.245 3.716 3.960 0.001 0.000 0.236 211 G C 0.435 175.259 174.900 -0.127 0.000 0.987 211 G CA -0.028 45.011 45.100 -0.102 0.000 0.635 211 G HN 1.337 nan 8.290 nan 0.000 0.520 212 C N 0.429 119.605 119.300 -0.207 0.000 2.595 212 C HA 0.712 5.172 4.460 0.001 0.000 0.384 212 C C 0.284 175.205 174.990 -0.116 0.000 1.289 212 C CA -0.475 58.334 59.018 -0.348 0.000 2.372 212 C CB 1.462 28.619 27.740 -0.971 0.000 2.593 212 C HN 0.519 nan 8.230 nan 0.000 0.639 213 D N 2.650 123.032 120.400 -0.030 0.000 2.441 213 D HA 0.416 5.056 4.640 0.001 0.000 0.231 213 D C -1.626 174.750 176.300 0.126 0.000 1.073 213 D CA -2.184 51.832 54.000 0.026 0.000 0.850 213 D CB 1.473 42.285 40.800 0.021 0.000 1.062 213 D HN 0.310 nan 8.370 nan 0.000 0.524 214 P HA -0.150 nan 4.420 nan 0.000 0.216 214 P C 0.717 177.999 177.300 -0.031 0.000 1.154 214 P CA 0.964 64.023 63.100 -0.068 0.000 0.865 214 P CB 0.309 31.634 31.700 -0.625 0.000 0.789 215 D N -0.887 119.504 120.400 -0.015 0.000 2.149 215 D HA -0.163 4.478 4.640 0.001 0.000 0.194 215 D C 1.914 178.426 176.300 0.355 0.000 1.001 215 D CA 1.217 55.341 54.000 0.208 0.000 0.849 215 D CB -0.601 40.386 40.800 0.312 0.000 0.939 215 D HN 0.253 nan 8.370 nan 0.000 0.449 216 L N -1.357 119.980 121.223 0.189 0.000 2.253 216 L HA 0.065 4.406 4.340 0.001 0.000 0.205 216 L C 2.133 179.234 176.870 0.386 0.000 1.078 216 L CA 0.045 54.942 54.840 0.094 0.000 0.805 216 L CB -0.149 41.874 42.059 -0.061 0.000 0.963 216 L HN -0.106 nan 8.230 nan 0.000 0.459 217 F N -0.208 119.923 119.950 0.302 0.000 2.325 217 F HA -0.122 4.406 4.527 0.001 0.000 0.299 217 F C 2.179 178.295 175.800 0.527 0.000 1.090 217 F CA 1.056 59.283 58.000 0.380 0.000 1.392 217 F CB -0.183 39.059 39.000 0.404 0.000 1.053 217 F HN 0.077 nan 8.300 nan 0.000 0.521 218 W N 0.084 121.531 121.300 0.244 0.000 2.350 218 W HA -0.231 4.429 4.660 0.001 0.000 0.289 218 W C 2.262 178.879 176.519 0.163 0.000 1.215 218 W CA 1.149 58.612 57.345 0.197 0.000 1.236 218 W CB -0.319 29.188 29.460 0.078 0.000 1.130 218 W HN -0.030 nan 8.180 nan 0.000 0.541 219 S N -0.309 115.609 115.700 0.364 0.000 2.461 219 S HA -0.077 4.394 4.470 0.001 0.000 0.228 219 S C 1.492 176.119 174.600 0.045 0.000 1.005 219 S CA 0.768 59.084 58.200 0.193 0.000 0.942 219 S CB -0.101 63.227 63.200 0.213 0.000 0.776 219 S HN 0.266 nan 8.310 nan 0.000 0.514 220 K N 0.900 121.287 120.400 -0.021 0.000 2.228 220 K HA 0.180 4.501 4.320 0.001 0.000 0.202 220 K C 1.792 178.248 176.600 -0.240 0.000 1.051 220 K CA 0.551 56.754 56.287 -0.140 0.000 0.960 220 K CB -0.150 32.223 32.500 -0.212 0.000 0.743 220 K HN 0.329 nan 8.250 nan 0.000 0.458 221 I N 1.421 121.803 120.570 -0.314 0.000 2.142 221 I HA -0.211 3.960 4.170 0.001 0.000 0.240 221 I C -0.953 175.048 176.117 -0.193 0.000 1.078 221 I CA 1.313 62.426 61.300 -0.311 0.000 1.343 221 I CB -1.136 36.678 38.000 -0.310 0.000 1.046 221 I HN 0.035 nan 8.210 nan 0.000 0.405 222 P HA -0.129 nan 4.420 nan 0.000 0.216 222 P C 1.949 179.152 177.300 -0.162 0.000 1.150 222 P CA 1.211 64.078 63.100 -0.388 0.000 0.837 222 P CB -0.010 31.211 31.700 -0.799 0.000 0.786 223 V N -0.594 119.229 119.914 -0.151 0.000 2.332 223 V HA -0.228 3.893 4.120 0.001 0.000 0.248 223 V C 2.376 178.433 176.094 -0.062 0.000 1.055 223 V CA 1.674 63.920 62.300 -0.091 0.000 1.038 223 V CB -1.215 30.563 31.823 -0.075 0.000 0.651 223 V HN 0.103 nan 8.190 nan 0.000 0.450 224 L N -1.286 119.891 121.223 -0.076 0.000 2.217 224 L HA 0.006 4.347 4.340 0.001 0.000 0.211 224 L C 1.274 178.125 176.870 -0.031 0.000 1.107 224 L CA 0.478 55.285 54.840 -0.054 0.000 0.783 224 L CB -0.277 41.735 42.059 -0.078 0.000 0.919 224 L HN 0.301 nan 8.230 nan 0.000 0.442 225 M N 0.187 119.780 119.600 -0.013 0.000 2.241 225 M HA 0.132 4.612 4.480 0.001 0.000 0.335 225 M C 0.556 176.864 176.300 0.014 0.000 1.122 225 M CA 0.220 55.521 55.300 0.002 0.000 1.164 225 M CB 0.693 33.326 32.600 0.054 0.000 1.459 225 M HN -0.022 nan 8.290 nan 0.000 0.461 226 E N 1.012 121.206 120.200 -0.010 0.000 2.421 226 E HA -0.031 4.320 4.350 0.001 0.000 0.253 226 E C 0.683 177.268 176.600 -0.025 0.000 1.277 226 E CA -0.048 56.328 56.400 -0.039 0.000 0.968 226 E CB 0.369 30.020 29.700 -0.081 0.000 1.040 226 E HN 0.571 nan 8.360 nan 0.000 0.512 227 E N 0.471 120.631 120.200 -0.067 0.000 2.110 227 E HA -0.139 4.212 4.350 0.001 0.000 0.193 227 E C -0.328 176.252 176.600 -0.034 0.000 0.988 227 E CA 1.440 57.819 56.400 -0.035 0.000 0.804 227 E CB 0.288 29.933 29.700 -0.092 0.000 0.745 227 E HN 0.042 nan 8.360 nan 0.000 0.458 228 K N 0.884 121.252 120.400 -0.053 0.000 2.367 228 K HA 0.286 4.607 4.320 0.001 0.000 0.263 228 K C -0.506 176.076 176.600 -0.030 0.000 1.000 228 K CA -0.453 55.810 56.287 -0.041 0.000 0.891 228 K CB 1.332 33.832 32.500 0.001 0.000 1.117 228 K HN 0.112 nan 8.250 nan 0.000 0.443 229 L N 3.837 124.953 121.223 -0.178 0.000 2.436 229 L HA 0.430 4.771 4.340 0.001 0.000 0.265 229 L C 0.200 177.062 176.870 -0.013 0.000 1.168 229 L CA -0.472 54.206 54.840 -0.269 0.000 0.815 229 L CB 0.051 41.752 42.059 -0.595 0.000 1.109 229 L HN 0.519 nan 8.230 nan 0.000 0.462 230 F N 0.408 120.250 119.950 -0.181 0.000 2.668 230 F HA 0.918 5.445 4.527 0.001 0.000 0.309 230 F C -0.740 175.004 175.800 -0.093 0.000 1.117 230 F CA -0.849 57.096 58.000 -0.091 0.000 0.951 230 F CB 1.536 40.527 39.000 -0.016 0.000 1.323 230 F HN 0.564 nan 8.300 nan 0.000 0.451 231 A N 1.520 124.382 122.820 0.071 0.000 2.515 231 A HA 0.871 5.192 4.320 0.001 0.000 0.292 231 A C -1.935 175.738 177.584 0.148 0.000 1.065 231 A CA -0.307 51.667 52.037 -0.105 0.000 0.641 231 A CB 1.216 20.041 19.000 -0.292 0.000 1.306 231 A HN 1.983 nan 8.150 nan 0.000 0.441 232 F N -1.557 118.346 119.950 -0.079 0.000 2.807 232 F HA 0.755 5.283 4.527 0.001 0.000 0.316 232 F C -1.630 174.055 175.800 -0.191 0.000 1.162 232 F CA -0.970 56.974 58.000 -0.095 0.000 0.910 232 F CB 0.492 39.489 39.000 -0.005 0.000 1.314 232 F HN 0.407 nan 8.300 nan 0.000 0.454 233 D N 0.089 120.485 120.400 -0.008 0.000 2.272 233 D HA 0.420 5.061 4.640 0.001 0.000 0.247 233 D C -1.414 174.911 176.300 0.041 0.000 0.990 233 D CA -0.115 53.841 54.000 -0.072 0.000 0.931 233 D CB 1.693 42.478 40.800 -0.025 0.000 1.195 233 D HN 0.535 nan 8.370 nan 0.000 0.477 234 Y N -0.381 120.027 120.300 0.179 0.000 2.420 234 Y HA 0.356 4.907 4.550 0.001 0.000 0.334 234 Y C 0.754 176.741 175.900 0.146 0.000 1.094 234 Y CA -0.659 57.582 58.100 0.234 0.000 1.126 234 Y CB 1.695 40.344 38.460 0.315 0.000 1.217 234 Y HN 0.009 nan 8.280 nan 0.000 0.462 235 T N 1.573 116.308 114.554 0.303 0.000 2.799 235 T HA 0.404 4.755 4.350 0.001 0.000 0.286 235 T C 0.422 175.228 174.700 0.177 0.000 0.973 235 T CA -0.284 61.928 62.100 0.186 0.000 1.035 235 T CB 0.880 69.826 68.868 0.130 0.000 0.932 235 T HN 1.049 nan 8.240 nan 0.000 0.469 236 G N 2.270 111.145 108.800 0.125 0.000 2.306 236 G HA2 -0.307 3.654 3.960 0.001 0.000 0.274 236 G HA3 -0.307 3.654 3.960 0.001 0.000 0.274 236 G C 0.380 175.346 174.900 0.109 0.000 0.890 236 G CA 0.659 45.811 45.100 0.087 0.000 1.298 236 G HN 0.921 nan 8.290 nan 0.000 0.445 237 Y N 0.629 120.923 120.300 -0.010 0.000 2.089 237 Y HA -0.157 4.394 4.550 0.001 0.000 0.282 237 Y C 2.370 178.202 175.900 -0.113 0.000 1.139 237 Y CA 2.359 60.384 58.100 -0.125 0.000 1.123 237 Y CB -0.004 38.320 38.460 -0.227 0.000 0.980 237 Y HN 0.445 nan 8.280 nan 0.000 0.493 238 D N 0.479 120.928 120.400 0.081 0.000 2.103 238 D HA -0.246 4.394 4.640 0.001 0.000 0.190 238 D C 2.308 178.596 176.300 -0.019 0.000 0.997 238 D CA 1.901 55.915 54.000 0.022 0.000 0.833 238 D CB -0.992 39.868 40.800 0.101 0.000 0.961 238 D HN 0.478 nan 8.370 nan 0.000 0.447 239 A N 0.506 123.317 122.820 -0.014 0.000 2.084 239 A HA -0.181 4.140 4.320 0.001 0.000 0.221 239 A C 2.165 179.756 177.584 0.012 0.000 1.161 239 A CA 2.348 54.375 52.037 -0.016 0.000 0.653 239 A CB -0.540 18.423 19.000 -0.062 0.000 0.802 239 A HN 0.336 nan 8.150 nan 0.000 0.457 240 S N -1.115 114.568 115.700 -0.028 0.000 2.535 240 S HA 0.287 4.758 4.470 0.001 0.000 0.214 240 S C 0.490 175.086 174.600 -0.008 0.000 0.980 240 S CA -0.423 57.774 58.200 -0.006 0.000 0.907 240 S CB -0.457 62.740 63.200 -0.004 0.000 0.790 240 S HN 0.351 nan 8.310 nan 0.000 0.510 241 L N 4.057 125.231 121.223 -0.082 0.000 2.562 241 L HA 0.187 4.528 4.340 0.001 0.000 0.271 241 L C 0.886 177.898 176.870 0.236 0.000 1.167 241 L CA -0.357 54.455 54.840 -0.046 0.000 0.917 241 L CB 0.136 42.057 42.059 -0.229 0.000 1.187 241 L HN 0.437 nan 8.230 nan 0.000 0.482 242 S N 3.779 119.676 115.700 0.329 0.000 2.632 242 S HA 0.345 4.816 4.470 0.001 0.000 0.267 242 S C -1.797 172.987 174.600 0.307 0.000 1.276 242 S CA -1.308 57.052 58.200 0.266 0.000 0.998 242 S CB 1.390 64.696 63.200 0.178 0.000 0.953 242 S HN 0.351 nan 8.310 nan 0.000 0.547 243 P HA -0.049 nan 4.420 nan 0.000 0.218 243 P C 1.531 178.921 177.300 0.151 0.000 1.148 243 P CA 1.864 65.110 63.100 0.243 0.000 0.822 243 P CB -0.276 31.489 31.700 0.109 0.000 0.784 244 A N -1.563 121.250 122.820 -0.012 0.000 1.940 244 A HA -0.184 4.137 4.320 0.001 0.000 0.219 244 A C 2.066 179.522 177.584 -0.214 0.000 1.176 244 A CA 1.435 53.369 52.037 -0.172 0.000 0.631 244 A CB -1.855 16.944 19.000 -0.336 0.000 0.814 244 A HN 0.249 nan 8.150 nan 0.000 0.446 245 W N -1.444 119.840 121.300 -0.027 0.000 2.388 245 W HA -0.084 4.577 4.660 0.001 0.000 0.294 245 W C 1.910 178.284 176.519 -0.241 0.000 1.212 245 W CA 0.500 57.734 57.345 -0.186 0.000 1.271 245 W CB -0.440 28.807 29.460 -0.355 0.000 1.126 245 W HN 0.353 nan 8.180 nan 0.000 0.535 246 F N 0.160 120.218 119.950 0.181 0.000 2.234 246 F HA -0.140 4.387 4.527 0.001 0.000 0.299 246 F C 2.286 178.108 175.800 0.037 0.000 1.087 246 F CA 1.536 59.583 58.000 0.077 0.000 1.340 246 F CB -0.923 38.101 39.000 0.040 0.000 1.031 246 F HN -0.184 nan 8.300 nan 0.000 0.500 247 E N 0.632 120.943 120.200 0.184 0.000 2.047 247 E HA -0.133 4.218 4.350 0.001 0.000 0.191 247 E C 2.284 178.931 176.600 0.078 0.000 0.987 247 E CA 1.293 57.751 56.400 0.096 0.000 0.799 247 E CB -0.437 29.288 29.700 0.043 0.000 0.752 247 E HN 0.201 nan 8.360 nan 0.000 0.449 248 A N 0.611 123.474 122.820 0.071 0.000 1.908 248 A HA -0.182 4.139 4.320 0.001 0.000 0.218 248 A C 2.179 179.843 177.584 0.134 0.000 1.181 248 A CA 1.645 53.745 52.037 0.105 0.000 0.627 248 A CB -0.892 18.199 19.000 0.152 0.000 0.818 248 A HN 0.386 nan 8.150 nan 0.000 0.445 249 L N 0.031 121.330 121.223 0.126 0.000 1.970 249 L HA -0.199 4.142 4.340 0.001 0.000 0.212 249 L C 2.217 179.120 176.870 0.055 0.000 1.071 249 L CA 2.617 57.507 54.840 0.083 0.000 0.751 249 L CB -0.781 41.290 42.059 0.021 0.000 0.889 249 L HN 0.395 nan 8.230 nan 0.000 0.432 250 K N -1.005 119.428 120.400 0.055 0.000 2.113 250 K HA -0.219 4.102 4.320 0.001 0.000 0.208 250 K C 2.036 178.682 176.600 0.078 0.000 1.047 250 K CA 2.201 58.522 56.287 0.057 0.000 0.928 250 K CB -0.369 32.168 32.500 0.062 0.000 0.716 250 K HN 0.397 nan 8.250 nan 0.000 0.446 251 M N 0.202 119.850 119.600 0.080 0.000 2.159 251 M HA -0.169 4.312 4.480 0.001 0.000 0.263 251 M C 2.158 178.515 176.300 0.095 0.000 1.063 251 M CA 1.265 56.615 55.300 0.083 0.000 1.110 251 M CB -0.230 32.417 32.600 0.077 0.000 1.374 251 M HN -0.045 nan 8.290 nan 0.000 0.411 252 V N 0.786 120.765 119.914 0.107 0.000 2.343 252 V HA -0.251 3.870 4.120 0.001 0.000 0.247 252 V C 2.280 178.431 176.094 0.096 0.000 1.051 252 V CA 1.611 63.973 62.300 0.103 0.000 1.036 252 V CB -0.630 31.273 31.823 0.132 0.000 0.654 252 V HN 0.466 nan 8.190 nan 0.000 0.451 253 L N -0.278 121.005 121.223 0.100 0.000 2.046 253 L HA -0.207 4.134 4.340 0.001 0.000 0.208 253 L C 2.580 179.580 176.870 0.218 0.000 1.077 253 L CA 1.761 56.694 54.840 0.155 0.000 0.747 253 L CB -0.705 41.445 42.059 0.151 0.000 0.896 253 L HN 0.415 nan 8.230 nan 0.000 0.432 254 E N 0.179 120.472 120.200 0.156 0.000 2.077 254 E HA -0.209 4.141 4.350 0.001 0.000 0.193 254 E C 2.145 178.815 176.600 0.116 0.000 0.989 254 E CA 0.962 57.442 56.400 0.133 0.000 0.800 254 E CB -0.055 29.701 29.700 0.094 0.000 0.746 254 E HN 0.388 nan 8.360 nan 0.000 0.452 255 K N 0.779 121.240 120.400 0.102 0.000 2.147 255 K HA -0.111 4.210 4.320 0.001 0.000 0.205 255 K C 2.146 178.800 176.600 0.089 0.000 1.049 255 K CA 1.169 57.504 56.287 0.080 0.000 0.936 255 K CB -0.146 32.394 32.500 0.066 0.000 0.722 255 K HN 0.371 nan 8.250 nan 0.000 0.446 256 I N -3.806 116.846 120.570 0.136 0.000 3.875 256 I HA 0.291 4.462 4.170 0.001 0.000 0.329 256 I C 0.705 176.970 176.117 0.247 0.000 1.295 256 I CA 0.264 61.666 61.300 0.170 0.000 1.129 256 I CB 0.498 38.602 38.000 0.173 0.000 1.008 256 I HN 0.136 nan 8.210 nan 0.000 0.413 257 G N 1.234 110.152 108.800 0.196 0.000 2.168 257 G HA2 -0.246 3.715 3.960 0.001 0.000 0.197 257 G HA3 -0.246 3.715 3.960 0.001 0.000 0.197 257 G C 0.032 174.897 174.900 -0.058 0.000 0.997 257 G CA -0.135 44.996 45.100 0.053 0.000 0.658 257 G HN 0.369 nan 8.290 nan 0.000 0.513 258 F N 1.613 121.607 119.950 0.074 0.000 2.647 258 F HA 0.404 4.932 4.527 0.001 0.000 0.300 258 F C 2.212 178.069 175.800 0.096 0.000 1.106 258 F CA 0.291 58.349 58.000 0.097 0.000 1.313 258 F CB 0.478 39.604 39.000 0.210 0.000 1.007 258 F HN 0.158 nan 8.300 nan 0.000 0.536 259 G N 0.643 109.550 108.800 0.178 0.000 2.475 259 G HA2 -0.324 3.637 3.960 0.001 0.000 0.220 259 G HA3 -0.324 3.637 3.960 0.001 0.000 0.220 259 G C 1.507 176.470 174.900 0.105 0.000 1.125 259 G CA 1.399 46.577 45.100 0.130 0.000 0.755 259 G HN 0.451 nan 8.290 nan 0.000 0.565 260 D N 0.722 121.162 120.400 0.068 0.000 2.371 260 D HA -0.093 4.548 4.640 0.001 0.000 0.221 260 D C 1.722 178.076 176.300 0.089 0.000 0.986 260 D CA 0.368 54.399 54.000 0.052 0.000 0.899 260 D CB -0.221 40.582 40.800 0.005 0.000 0.902 260 D HN 0.472 nan 8.370 nan 0.000 0.530 261 R N 1.018 121.600 120.500 0.136 0.000 2.629 261 R HA 0.183 4.523 4.340 0.001 0.000 0.386 261 R C 1.719 178.235 176.300 0.360 0.000 1.071 261 R CA 0.103 56.328 56.100 0.209 0.000 1.104 261 R CB -0.644 29.586 30.300 -0.116 0.000 1.370 261 R HN 0.137 nan 8.270 nan 0.000 0.574 262 V N -0.372 119.694 119.914 0.252 0.000 2.594 262 V HA -0.240 3.881 4.120 0.001 0.000 0.253 262 V C 1.479 177.645 176.094 0.120 0.000 1.069 262 V CA 1.980 64.399 62.300 0.200 0.000 1.082 262 V CB -0.652 31.241 31.823 0.116 0.000 0.680 262 V HN 0.172 nan 8.190 nan 0.000 0.469 263 D N -0.617 119.811 120.400 0.046 0.000 2.263 263 D HA -0.213 4.428 4.640 0.001 0.000 0.208 263 D C 1.814 177.884 176.300 -0.383 0.000 0.971 263 D CA 1.397 55.256 54.000 -0.235 0.000 0.867 263 D CB -0.888 39.691 40.800 -0.368 0.000 0.929 263 D HN 0.557 nan 8.370 nan 0.000 0.492 264 Y N 0.718 121.005 120.300 -0.023 0.000 2.165 264 Y HA -0.172 4.379 4.550 0.001 0.000 0.286 264 Y C 2.321 178.320 175.900 0.164 0.000 1.155 264 Y CA 0.677 58.927 58.100 0.250 0.000 1.164 264 Y CB -0.115 38.635 38.460 0.482 0.000 0.978 264 Y HN -0.047 nan 8.280 nan 0.000 0.513 265 I N 0.131 120.822 120.570 0.201 0.000 2.163 265 I HA -0.306 3.865 4.170 0.001 0.000 0.243 265 I C 1.876 177.976 176.117 -0.029 0.000 1.085 265 I CA 1.470 62.785 61.300 0.024 0.000 1.347 265 I CB -1.356 36.621 38.000 -0.037 0.000 1.044 265 I HN 0.272 nan 8.210 nan 0.000 0.408 266 D N 0.126 120.476 120.400 -0.084 0.000 2.123 266 D HA -0.220 4.421 4.640 0.001 0.000 0.196 266 D C 2.261 178.550 176.300 -0.017 0.000 0.992 266 D CA 1.315 55.251 54.000 -0.107 0.000 0.833 266 D CB -0.385 40.310 40.800 -0.174 0.000 0.954 266 D HN 0.280 nan 8.370 nan 0.000 0.455 267 Y N 1.251 121.554 120.300 0.006 0.000 2.114 267 Y HA -0.147 4.404 4.550 0.001 0.000 0.282 267 Y C 2.612 178.513 175.900 0.001 0.000 1.165 267 Y CA 0.386 58.484 58.100 -0.003 0.000 1.148 267 Y CB -1.049 37.370 38.460 -0.069 0.000 0.972 267 Y HN -0.010 nan 8.280 nan 0.000 0.504 268 L N -0.220 121.106 121.223 0.172 0.000 2.079 268 L HA -0.282 4.059 4.340 0.001 0.000 0.210 268 L C 1.579 178.425 176.870 -0.040 0.000 1.081 268 L CA 1.811 56.695 54.840 0.073 0.000 0.752 268 L CB -0.751 41.348 42.059 0.066 0.000 0.896 268 L HN 0.324 nan 8.230 nan 0.000 0.433 269 N N -1.696 116.934 118.700 -0.116 0.000 2.571 269 N HA -0.117 4.624 4.740 0.001 0.000 0.189 269 N C 0.479 175.990 175.510 0.002 0.000 1.154 269 N CA 0.113 53.057 53.050 -0.177 0.000 0.907 269 N CB 0.021 38.359 38.487 -0.249 0.000 0.977 269 N HN 0.373 nan 8.380 nan 0.000 0.449 270 H N 0.420 119.447 119.070 -0.071 0.000 2.917 270 H HA 0.213 4.770 4.556 0.001 0.000 0.279 270 H C -1.208 174.045 175.328 -0.125 0.000 1.211 270 H CA -0.632 55.364 56.048 -0.086 0.000 1.534 270 H CB 0.510 30.270 29.762 -0.004 0.000 1.581 270 H HN 0.023 nan 8.280 nan 0.000 0.510 271 S N 3.161 118.684 115.700 -0.295 0.000 2.536 271 S HA 0.409 4.880 4.470 0.001 0.000 0.298 271 S C -0.950 173.173 174.600 -0.795 0.000 1.083 271 S CA -0.927 57.010 58.200 -0.439 0.000 0.995 271 S CB 2.024 65.039 63.200 -0.309 0.000 1.058 271 S HN 0.595 nan 8.310 nan 0.000 0.488 272 H N 1.093 119.746 119.070 -0.696 0.000 2.472 272 H HA 0.600 5.156 4.556 0.001 0.000 0.338 272 H C -0.334 174.407 175.328 -0.977 0.000 1.133 272 H CA -0.433 55.184 56.048 -0.718 0.000 1.216 272 H CB 0.881 30.360 29.762 -0.472 0.000 1.497 272 H HN 0.622 nan 8.280 nan 0.000 0.500 273 H N 2.279 120.924 119.070 -0.710 0.000 2.600 273 H HA 0.298 4.855 4.556 0.001 0.000 0.357 273 H C -0.639 174.351 175.328 -0.563 0.000 1.106 273 H CA -0.697 54.893 56.048 -0.764 0.000 1.193 273 H CB 2.050 31.033 29.762 -1.298 0.000 1.594 273 H HN 0.381 nan 8.280 nan 0.000 0.526 274 L N 3.752 124.849 121.223 -0.210 0.000 2.262 274 L HA 0.179 4.519 4.340 0.001 0.000 0.288 274 L C -0.899 176.040 176.870 0.116 0.000 1.035 274 L CA -0.709 54.083 54.840 -0.081 0.000 0.820 274 L CB 0.540 42.486 42.059 -0.189 0.000 1.204 274 L HN 0.486 nan 8.230 nan 0.000 0.424 275 Y N 5.455 125.816 120.300 0.103 0.000 2.555 275 Y HA 0.335 4.886 4.550 0.001 0.000 0.326 275 Y C 0.404 176.359 175.900 0.092 0.000 0.984 275 Y CA -1.006 57.175 58.100 0.135 0.000 1.298 275 Y CB 0.226 38.897 38.460 0.353 0.000 1.094 275 Y HN 0.641 nan 8.280 nan 0.000 0.500 276 K N 1.376 121.651 120.400 -0.208 0.000 2.679 276 K HA -0.351 3.970 4.320 0.001 0.000 0.152 276 K C 0.760 177.312 176.600 -0.081 0.000 1.072 276 K CA 1.874 58.026 56.287 -0.224 0.000 0.373 276 K CB -1.041 31.207 32.500 -0.421 0.000 0.710 276 K HN 0.827 nan 8.250 nan 0.000 0.730 277 N N 2.392 121.050 118.700 -0.070 0.000 2.398 277 N HA 0.030 4.771 4.740 0.001 0.000 0.188 277 N C -0.334 175.200 175.510 0.039 0.000 1.122 277 N CA 0.298 53.347 53.050 -0.003 0.000 0.866 277 N CB 0.350 38.835 38.487 -0.003 0.000 0.970 277 N HN 0.217 nan 8.380 nan 0.000 0.462 278 K N 0.541 120.974 120.400 0.056 0.000 2.340 278 K HA 0.415 4.736 4.320 0.001 0.000 0.244 278 K C -0.902 175.809 176.600 0.185 0.000 0.973 278 K CA -0.551 55.810 56.287 0.124 0.000 0.828 278 K CB 2.225 34.798 32.500 0.121 0.000 1.226 278 K HN -0.175 nan 8.250 nan 0.000 0.437 279 T N 1.856 116.543 114.554 0.223 0.000 2.841 279 T HA 0.430 4.780 4.350 0.001 0.000 0.285 279 T C -1.213 173.602 174.700 0.191 0.000 0.991 279 T CA -0.744 61.477 62.100 0.201 0.000 0.966 279 T CB 0.365 69.414 68.868 0.301 0.000 0.962 279 T HN 0.510 nan 8.240 nan 0.000 0.438 280 Y N -0.508 119.681 120.300 -0.185 0.000 2.659 280 Y HA 0.873 5.424 4.550 0.001 0.000 0.333 280 Y C -0.282 175.157 175.900 -0.768 0.000 1.064 280 Y CA -1.467 56.342 58.100 -0.484 0.000 1.141 280 Y CB 0.920 39.112 38.460 -0.447 0.000 1.316 280 Y HN 0.696 nan 8.280 nan 0.000 0.509 281 C N 1.679 120.388 119.300 -0.984 0.000 2.563 281 C HA 0.887 5.348 4.460 0.001 0.000 0.314 281 C C -1.130 173.520 174.990 -0.566 0.000 1.199 281 C CA -0.391 57.991 59.018 -1.061 0.000 1.564 281 C CB 0.842 27.654 27.740 -1.546 0.000 2.173 281 C HN 0.745 nan 8.230 nan 0.000 0.485 282 V N 5.441 125.121 119.914 -0.390 0.000 2.588 282 V HA 0.532 4.653 4.120 0.001 0.000 0.304 282 V C -0.454 175.603 176.094 -0.062 0.000 1.042 282 V CA -0.599 61.593 62.300 -0.181 0.000 0.877 282 V CB 1.848 33.619 31.823 -0.087 0.000 0.996 282 V HN 0.851 nan 8.190 nan 0.000 0.425 283 K N 2.533 122.916 120.400 -0.029 0.000 2.221 283 K HA 0.746 5.067 4.320 0.001 0.000 0.258 283 K C 0.293 176.895 176.600 0.003 0.000 0.944 283 K CA 0.127 56.408 56.287 -0.009 0.000 0.823 283 K CB 1.886 34.357 32.500 -0.048 0.000 1.113 283 K HN 1.189 nan 8.250 nan 0.000 0.431 284 G N 1.306 110.090 108.800 -0.028 0.000 2.781 284 G HA2 0.187 4.148 3.960 0.001 0.000 0.683 284 G HA3 0.187 4.148 3.960 0.001 0.000 0.683 284 G C 0.126 175.001 174.900 -0.041 0.000 1.390 284 G CA -0.535 44.543 45.100 -0.036 0.000 0.850 284 G HN 1.067 nan 8.290 nan 0.000 0.557 285 G N -0.764 108.002 108.800 -0.056 0.000 2.855 285 G HA2 0.291 4.252 3.960 0.001 0.000 0.352 285 G HA3 0.291 4.252 3.960 0.001 0.000 0.352 285 G C -0.032 174.789 174.900 -0.132 0.000 1.415 285 G CA 0.677 45.810 45.100 0.056 0.000 0.871 285 G HN 2.348 nan 8.290 nan 0.000 0.543 286 M N 0.875 120.537 119.600 0.103 0.000 2.224 286 M HA 0.508 4.989 4.480 0.001 0.000 0.281 286 M C -2.643 173.760 176.300 0.172 0.000 1.025 286 M CA -1.811 53.556 55.300 0.110 0.000 0.954 286 M CB 2.122 34.874 32.600 0.253 0.000 1.639 286 M HN 0.391 nan 8.290 nan 0.000 0.461 287 P HA 0.173 nan 4.420 nan 0.000 0.267 287 P C 0.242 177.636 177.300 0.158 0.000 1.209 287 P CA -0.133 63.084 63.100 0.195 0.000 0.763 287 P CB 0.838 32.684 31.700 0.244 0.000 0.816 288 S N 2.040 117.817 115.700 0.128 0.000 2.419 288 S HA -0.115 4.356 4.470 0.001 0.000 0.233 288 S C 1.932 176.584 174.600 0.086 0.000 1.016 288 S CA 1.094 59.353 58.200 0.099 0.000 0.974 288 S CB -1.214 62.027 63.200 0.068 0.000 0.786 288 S HN 0.561 nan 8.310 nan 0.000 0.492 289 G N 0.095 108.956 108.800 0.102 0.000 2.848 289 G HA2 0.159 4.120 3.960 0.001 0.000 0.208 289 G HA3 0.159 4.120 3.960 0.001 0.000 0.208 289 G C 0.370 175.329 174.900 0.098 0.000 1.152 289 G CA -0.090 45.067 45.100 0.094 0.000 0.789 289 G HN 0.550 nan 8.290 nan 0.000 0.531 290 C N 0.291 119.660 119.300 0.115 0.000 2.534 290 C HA 0.578 5.039 4.460 0.001 0.000 0.385 290 C C 1.393 176.446 174.990 0.105 0.000 1.264 290 C CA -0.880 58.218 59.018 0.134 0.000 2.342 290 C CB 1.061 28.909 27.740 0.179 0.000 2.564 290 C HN 0.404 nan 8.230 nan 0.000 0.603 291 S N 1.189 116.965 115.700 0.127 0.000 2.558 291 S HA 0.384 4.855 4.470 0.001 0.000 0.288 291 S C 1.267 175.869 174.600 0.003 0.000 1.318 291 S CA 0.924 59.169 58.200 0.076 0.000 1.056 291 S CB -0.027 63.295 63.200 0.204 0.000 0.853 291 S HN 2.061 nan 8.310 nan 0.000 0.505 292 G N 2.962 111.530 108.800 -0.386 0.000 2.199 292 G HA2 -0.349 3.612 3.960 0.001 0.000 0.254 292 G HA3 -0.349 3.612 3.960 0.001 0.000 0.254 292 G C 1.038 175.541 174.900 -0.661 0.000 0.982 292 G CA 1.126 45.732 45.100 -0.824 0.000 0.632 292 G HN 1.550 nan 8.290 nan 0.000 0.529 293 T N -1.213 113.213 114.554 -0.213 0.000 2.720 293 T HA -0.091 4.260 4.350 0.001 0.000 0.268 293 T C 2.425 177.080 174.700 -0.074 0.000 1.037 293 T CA 2.391 64.487 62.100 -0.006 0.000 1.144 293 T CB -0.502 68.410 68.868 0.072 0.000 0.864 293 T HN 1.111 nan 8.240 nan 0.000 0.444 294 S N 1.061 116.668 115.700 -0.154 0.000 2.370 294 S HA -0.053 4.418 4.470 0.001 0.000 0.226 294 S C 2.062 176.523 174.600 -0.232 0.000 1.033 294 S CA 1.174 59.293 58.200 -0.134 0.000 1.011 294 S CB -0.670 62.465 63.200 -0.109 0.000 0.852 294 S HN 0.590 nan 8.310 nan 0.000 0.457 295 I N 0.155 120.477 120.570 -0.414 0.000 2.286 295 I HA -0.073 4.098 4.170 0.001 0.000 0.245 295 I C 1.911 177.806 176.117 -0.370 0.000 1.104 295 I CA 0.951 61.932 61.300 -0.533 0.000 1.397 295 I CB -0.317 37.205 38.000 -0.796 0.000 1.072 295 I HN 0.277 nan 8.210 nan 0.000 0.417 296 F N 1.046 120.867 119.950 -0.215 0.000 2.134 296 F HA -0.197 4.331 4.527 0.001 0.000 0.299 296 F C 2.407 178.171 175.800 -0.061 0.000 1.097 296 F CA 1.033 58.955 58.000 -0.131 0.000 1.264 296 F CB -1.298 37.669 39.000 -0.055 0.000 1.001 296 F HN 0.135 nan 8.300 nan 0.000 0.479 297 N N -0.002 118.784 118.700 0.142 0.000 2.166 297 N HA -0.131 4.609 4.740 0.001 0.000 0.186 297 N C 1.972 177.508 175.510 0.044 0.000 1.019 297 N CA 1.468 54.596 53.050 0.130 0.000 0.856 297 N CB -0.497 38.071 38.487 0.135 0.000 0.993 297 N HN 0.160 nan 8.380 nan 0.000 0.426 298 S N 0.979 116.669 115.700 -0.017 0.000 2.383 298 S HA -0.007 4.464 4.470 0.001 0.000 0.227 298 S C 2.038 176.662 174.600 0.039 0.000 1.026 298 S CA 0.880 59.073 58.200 -0.011 0.000 0.981 298 S CB -0.075 63.110 63.200 -0.025 0.000 0.818 298 S HN 0.324 nan 8.310 nan 0.000 0.472 299 M N 0.614 120.268 119.600 0.090 0.000 2.132 299 M HA 0.024 4.504 4.480 0.001 0.000 0.263 299 M C 1.956 178.302 176.300 0.077 0.000 1.065 299 M CA 1.296 56.728 55.300 0.220 0.000 1.122 299 M CB -0.567 32.221 32.600 0.314 0.000 1.365 299 M HN 0.232 nan 8.290 nan 0.000 0.411 300 I N 0.341 120.931 120.570 0.033 0.000 2.226 300 I HA -0.314 3.857 4.170 0.001 0.000 0.245 300 I C 2.322 178.344 176.117 -0.159 0.000 1.100 300 I CA 0.953 62.205 61.300 -0.080 0.000 1.374 300 I CB -0.619 37.274 38.000 -0.178 0.000 1.057 300 I HN 0.364 nan 8.210 nan 0.000 0.413 301 N N 1.308 119.972 118.700 -0.060 0.000 2.094 301 N HA -0.227 4.514 4.740 0.001 0.000 0.191 301 N C 1.524 176.972 175.510 -0.103 0.000 1.023 301 N CA 1.515 54.537 53.050 -0.045 0.000 0.857 301 N CB -0.396 38.071 38.487 -0.034 0.000 1.013 301 N HN 0.363 nan 8.380 nan 0.000 0.426 302 N N 0.287 118.860 118.700 -0.212 0.000 2.120 302 N HA -0.097 4.644 4.740 0.001 0.000 0.188 302 N C 1.819 177.165 175.510 -0.274 0.000 1.024 302 N CA 0.759 53.579 53.050 -0.383 0.000 0.852 302 N CB -0.079 37.790 38.487 -1.029 0.000 1.003 302 N HN 0.306 nan 8.380 nan 0.000 0.424 303 L N 0.845 121.955 121.223 -0.188 0.000 2.056 303 L HA -0.085 4.256 4.340 0.001 0.000 0.207 303 L C 2.310 179.175 176.870 -0.009 0.000 1.078 303 L CA 0.773 55.627 54.840 0.022 0.000 0.749 303 L CB -0.332 41.839 42.059 0.186 0.000 0.901 303 L HN 0.094 nan 8.230 nan 0.000 0.433 304 I N -0.256 120.153 120.570 -0.268 0.000 2.226 304 I HA -0.303 3.868 4.170 0.001 0.000 0.245 304 I C 2.390 178.470 176.117 -0.062 0.000 1.100 304 I CA 1.109 62.172 61.300 -0.395 0.000 1.374 304 I CB -0.136 37.569 38.000 -0.492 0.000 1.057 304 I HN 0.185 nan 8.210 nan 0.000 0.413 305 I N 0.536 121.125 120.570 0.031 0.000 2.252 305 I HA -0.229 3.942 4.170 0.001 0.000 0.245 305 I C 2.596 178.762 176.117 0.081 0.000 1.102 305 I CA 1.522 62.898 61.300 0.127 0.000 1.385 305 I CB -1.268 36.838 38.000 0.177 0.000 1.064 305 I HN 0.244 nan 8.210 nan 0.000 0.414 306 R N 0.144 120.679 120.500 0.058 0.000 2.096 306 R HA -0.129 4.212 4.340 0.001 0.000 0.235 306 R C 2.294 178.624 176.300 0.049 0.000 1.127 306 R CA 1.908 58.043 56.100 0.059 0.000 0.968 306 R CB -0.478 29.881 30.300 0.099 0.000 0.861 306 R HN 0.336 nan 8.270 nan 0.000 0.440 307 T N 1.353 115.948 114.554 0.068 0.000 2.777 307 T HA -0.043 4.308 4.350 0.001 0.000 0.266 307 T C 1.811 176.481 174.700 -0.050 0.000 1.040 307 T CA 0.965 63.099 62.100 0.057 0.000 1.141 307 T CB -0.060 68.866 68.868 0.096 0.000 0.868 307 T HN 0.132 nan 8.240 nan 0.000 0.444 308 L N 0.366 121.552 121.223 -0.061 0.000 2.093 308 L HA 0.031 4.372 4.340 0.001 0.000 0.208 308 L C 2.446 179.258 176.870 -0.097 0.000 1.085 308 L CA 0.915 55.705 54.840 -0.084 0.000 0.755 308 L CB -0.660 41.355 42.059 -0.073 0.000 0.904 308 L HN 0.240 nan 8.230 nan 0.000 0.435 309 L N -0.391 120.796 121.223 -0.061 0.000 2.046 309 L HA -0.223 4.118 4.340 0.001 0.000 0.208 309 L C 2.551 179.379 176.870 -0.070 0.000 1.077 309 L CA 1.223 56.031 54.840 -0.054 0.000 0.747 309 L CB -0.401 41.590 42.059 -0.113 0.000 0.896 309 L HN 0.258 nan 8.230 nan 0.000 0.432 310 L N -0.153 121.013 121.223 -0.095 0.000 2.027 310 L HA -0.238 4.103 4.340 0.001 0.000 0.206 310 L C 2.728 179.396 176.870 -0.337 0.000 1.074 310 L CA 1.431 56.211 54.840 -0.100 0.000 0.745 310 L CB -0.454 41.630 42.059 0.041 0.000 0.898 310 L HN 0.266 nan 8.230 nan 0.000 0.433 311 K N -0.509 119.533 120.400 -0.596 0.000 2.057 311 K HA -0.147 4.174 4.320 0.001 0.000 0.206 311 K C 1.917 178.252 176.600 -0.442 0.000 1.050 311 K CA 1.819 57.587 56.287 -0.866 0.000 0.935 311 K CB 0.037 32.145 32.500 -0.652 0.000 0.715 311 K HN 0.196 nan 8.250 nan 0.000 0.439 312 T N -0.520 113.836 114.554 -0.331 0.000 2.894 312 T HA -0.037 4.313 4.350 0.001 0.000 0.258 312 T C -0.115 174.245 174.700 -0.567 0.000 1.043 312 T CA 0.912 62.752 62.100 -0.434 0.000 1.141 312 T CB -0.080 68.500 68.868 -0.481 0.000 0.873 312 T HN 0.126 nan 8.240 nan 0.000 0.449 313 Y N 2.066 122.241 120.300 -0.209 0.000 2.721 313 Y HA 0.404 4.955 4.550 0.001 0.000 0.328 313 Y C 0.261 176.082 175.900 -0.132 0.000 1.003 313 Y CA -1.320 56.674 58.100 -0.176 0.000 1.275 313 Y CB 0.545 38.870 38.460 -0.225 0.000 1.097 313 Y HN -0.081 nan 8.280 nan 0.000 0.514 314 K N 1.644 122.037 120.400 -0.012 0.000 2.451 314 K HA 0.295 4.616 4.320 0.001 0.000 0.280 314 K C 1.133 177.758 176.600 0.040 0.000 1.020 314 K CA 1.248 57.541 56.287 0.011 0.000 1.008 314 K CB 0.047 32.548 32.500 0.002 0.000 0.917 314 K HN 0.963 nan 8.250 nan 0.000 0.478 315 G N 3.851 112.680 108.800 0.048 0.000 2.176 315 G HA2 -0.276 3.685 3.960 0.001 0.000 0.253 315 G HA3 -0.276 3.685 3.960 0.001 0.000 0.253 315 G C 0.178 175.118 174.900 0.065 0.000 0.979 315 G CA 0.104 45.237 45.100 0.055 0.000 0.641 315 G HN 0.705 nan 8.290 nan 0.000 0.530 316 I N 1.230 121.826 120.570 0.044 0.000 2.648 316 I HA 0.323 4.494 4.170 0.001 0.000 0.284 316 I C -0.151 176.008 176.117 0.071 0.000 1.153 316 I CA -0.127 61.182 61.300 0.015 0.000 1.426 316 I CB 0.619 38.527 38.000 -0.154 0.000 1.381 316 I HN 0.103 nan 8.210 nan 0.000 0.571 317 D N 7.172 127.699 120.400 0.212 0.000 2.443 317 D HA 0.183 4.824 4.640 0.001 0.000 0.221 317 D C 0.916 177.338 176.300 0.202 0.000 1.097 317 D CA -0.214 53.913 54.000 0.212 0.000 0.865 317 D CB 0.874 41.862 40.800 0.314 0.000 1.034 317 D HN 0.515 nan 8.370 nan 0.000 0.511 318 L N 2.398 123.593 121.223 -0.046 0.000 2.265 318 L HA -0.111 4.230 4.340 0.001 0.000 0.215 318 L C 1.218 178.046 176.870 -0.071 0.000 1.117 318 L CA 0.670 55.365 54.840 -0.242 0.000 0.782 318 L CB -0.082 41.444 42.059 -0.889 0.000 0.914 318 L HN 0.389 nan 8.230 nan 0.000 0.441 319 D N -0.869 119.548 120.400 0.028 0.000 2.263 319 D HA -0.153 4.488 4.640 0.001 0.000 0.208 319 D C 1.668 177.895 176.300 -0.121 0.000 0.971 319 D CA 1.148 55.168 54.000 0.034 0.000 0.867 319 D CB -0.014 40.698 40.800 -0.147 0.000 0.929 319 D HN 0.418 nan 8.370 nan 0.000 0.492 320 H N -0.598 118.558 119.070 0.143 0.000 2.549 320 H HA 0.151 4.708 4.556 0.001 0.000 0.279 320 H C 0.310 175.721 175.328 0.137 0.000 1.018 320 H CA -0.420 55.642 56.048 0.022 0.000 1.175 320 H CB 0.374 30.008 29.762 -0.214 0.000 1.485 320 H HN 0.080 nan 8.280 nan 0.000 0.543 321 L N 2.432 123.881 121.223 0.378 0.000 2.315 321 L HA 0.219 4.560 4.340 0.001 0.000 0.283 321 L C -0.339 176.655 176.870 0.207 0.000 1.089 321 L CA -0.191 54.869 54.840 0.366 0.000 0.833 321 L CB 0.457 42.676 42.059 0.267 0.000 1.170 321 L HN -0.243 nan 8.230 nan 0.000 0.442 322 K N 8.065 128.552 120.400 0.144 0.000 2.449 322 K HA 0.482 4.802 4.320 0.001 0.000 0.257 322 K C -0.768 175.815 176.600 -0.029 0.000 0.989 322 K CA -0.218 56.101 56.287 0.053 0.000 0.916 322 K CB 1.452 33.965 32.500 0.022 0.000 1.136 322 K HN 0.869 nan 8.250 nan 0.000 0.439 323 M N 1.036 120.615 119.600 -0.036 0.000 2.593 323 M HA 0.663 5.143 4.480 0.001 0.000 0.290 323 M C -1.070 175.171 176.300 -0.100 0.000 1.244 323 M CA -0.933 54.287 55.300 -0.132 0.000 0.857 323 M CB 2.073 34.593 32.600 -0.133 0.000 1.738 323 M HN 0.290 nan 8.290 nan 0.000 0.461 324 I N 1.647 122.108 120.570 -0.181 0.000 2.548 324 I HA 0.741 4.912 4.170 0.001 0.000 0.287 324 I C -0.869 175.205 176.117 -0.072 0.000 1.103 324 I CA -0.704 60.548 61.300 -0.079 0.000 1.049 324 I CB 2.124 40.087 38.000 -0.062 0.000 1.232 324 I HN 0.976 nan 8.210 nan 0.000 0.429 325 A N 5.136 128.018 122.820 0.103 0.000 2.337 325 A HA 0.780 5.100 4.320 0.001 0.000 0.331 325 A C -1.790 175.982 177.584 0.314 0.000 1.137 325 A CA -0.400 51.746 52.037 0.181 0.000 0.807 325 A CB 1.295 20.326 19.000 0.050 0.000 1.250 325 A HN 0.610 nan 8.150 nan 0.000 0.468 326 Y N 1.241 121.664 120.300 0.205 0.000 2.488 326 Y HA 0.479 5.030 4.550 0.001 0.000 0.330 326 Y C 0.914 176.779 175.900 -0.058 0.000 1.013 326 Y CA 0.330 58.461 58.100 0.052 0.000 1.304 326 Y CB 0.852 39.270 38.460 -0.070 0.000 1.098 326 Y HN 1.642 nan 8.280 nan 0.000 0.498 327 G N 4.314 113.160 108.800 0.077 0.000 2.622 327 G HA2 -0.420 3.541 3.960 0.001 0.000 0.307 327 G HA3 -0.420 3.541 3.960 0.001 0.000 0.307 327 G C 0.886 175.622 174.900 -0.272 0.000 1.226 327 G CA 0.845 45.909 45.100 -0.060 0.000 0.997 327 G HN 0.711 nan 8.290 nan 0.000 0.551 328 D N 1.200 121.302 120.400 -0.497 0.000 2.348 328 D HA 0.108 4.749 4.640 0.001 0.000 0.211 328 D C 0.583 176.779 176.300 -0.174 0.000 0.998 328 D CA 0.866 54.416 54.000 -0.749 0.000 0.873 328 D CB -0.191 39.923 40.800 -1.144 0.000 0.925 328 D HN 0.346 nan 8.370 nan 0.000 0.524 329 D N 0.388 120.748 120.400 -0.067 0.000 2.345 329 D HA 0.305 4.946 4.640 0.001 0.000 0.247 329 D C -0.838 175.576 176.300 0.189 0.000 1.108 329 D CA -0.328 53.703 54.000 0.050 0.000 0.894 329 D CB 1.655 42.481 40.800 0.043 0.000 1.203 329 D HN -0.091 nan 8.370 nan 0.000 0.430 330 V N 4.824 124.804 119.914 0.109 0.000 2.950 330 V HA 0.439 4.560 4.120 0.001 0.000 0.295 330 V C -1.543 174.320 176.094 -0.385 0.000 1.297 330 V CA -0.841 61.386 62.300 -0.123 0.000 0.962 330 V CB 1.877 33.540 31.823 -0.267 0.000 1.081 330 V HN 0.574 nan 8.190 nan 0.000 0.432 331 I N 6.115 126.257 120.570 -0.713 0.000 2.433 331 I HA 0.927 5.098 4.170 0.001 0.000 0.292 331 I C -0.141 175.589 176.117 -0.645 0.000 1.001 331 I CA -0.100 60.769 61.300 -0.718 0.000 1.119 331 I CB 1.566 39.035 38.000 -0.885 0.000 1.289 331 I HN 0.989 nan 8.210 nan 0.000 0.438 332 A N 4.985 127.360 122.820 -0.741 0.000 2.479 332 A HA 0.925 5.246 4.320 0.001 0.000 0.296 332 A C -0.965 176.173 177.584 -0.743 0.000 1.121 332 A CA -0.249 51.284 52.037 -0.839 0.000 0.743 332 A CB 1.856 20.033 19.000 -1.371 0.000 1.323 332 A HN 0.787 nan 8.150 nan 0.000 0.415 333 S N -0.545 114.953 115.700 -0.337 0.000 2.596 333 S HA 0.804 5.274 4.470 0.001 0.000 0.270 333 S C -1.341 173.443 174.600 0.308 0.000 1.155 333 S CA -0.593 57.599 58.200 -0.012 0.000 0.827 333 S CB 1.369 64.512 63.200 -0.095 0.000 1.130 333 S HN 1.848 nan 8.310 nan 0.000 0.467 334 Y N 0.375 120.742 120.300 0.111 0.000 2.565 334 Y HA 0.490 5.040 4.550 0.001 0.000 0.330 334 Y C -2.800 173.070 175.900 -0.051 0.000 1.150 334 Y CA -1.701 56.437 58.100 0.063 0.000 1.055 334 Y CB 2.048 40.545 38.460 0.061 0.000 1.337 334 Y HN 0.498 nan 8.280 nan 0.000 0.457 335 P HA -0.036 nan 4.420 nan 0.000 0.225 335 P C -0.665 176.239 177.300 -0.659 0.000 1.148 335 P CA 1.678 64.400 63.100 -0.630 0.000 0.779 335 P CB 0.177 31.382 31.700 -0.825 0.000 0.780 336 H N -1.016 118.010 119.070 -0.074 0.000 2.690 336 H HA 0.171 4.728 4.556 0.001 0.000 0.368 336 H C 0.130 175.491 175.328 0.054 0.000 1.150 336 H CA -0.874 55.190 56.048 0.027 0.000 1.174 336 H CB 1.346 31.133 29.762 0.041 0.000 1.684 336 H HN -0.032 nan 8.280 nan 0.000 0.538 337 E N 2.463 122.723 120.200 0.100 0.000 2.529 337 E HA 0.043 4.394 4.350 0.001 0.000 0.259 337 E C -0.660 175.856 176.600 -0.140 0.000 0.966 337 E CA 0.076 56.479 56.400 0.005 0.000 0.937 337 E CB 0.489 30.197 29.700 0.014 0.000 0.923 337 E HN 0.402 nan 8.360 nan 0.000 0.468 338 V N 2.553 122.318 119.914 -0.248 0.000 2.628 338 V HA 0.400 4.520 4.120 0.001 0.000 0.306 338 V C -0.630 175.332 176.094 -0.219 0.000 1.045 338 V CA -0.956 61.053 62.300 -0.485 0.000 0.905 338 V CB 1.982 33.216 31.823 -0.982 0.000 0.997 338 V HN 0.609 nan 8.190 nan 0.000 0.436 339 D N 4.136 124.515 120.400 -0.036 0.000 2.443 339 D HA 0.553 5.194 4.640 0.001 0.000 0.221 339 D C 0.961 177.211 176.300 -0.084 0.000 1.097 339 D CA 0.291 54.281 54.000 -0.018 0.000 0.865 339 D CB 1.584 42.386 40.800 0.003 0.000 1.034 339 D HN 0.867 nan 8.370 nan 0.000 0.511 340 A N 2.991 125.802 122.820 -0.015 0.000 2.024 340 A HA -0.177 4.144 4.320 0.001 0.000 0.220 340 A C 2.120 179.469 177.584 -0.392 0.000 1.164 340 A CA 1.862 53.902 52.037 0.005 0.000 0.643 340 A CB -0.420 18.816 19.000 0.394 0.000 0.806 340 A HN 0.609 nan 8.150 nan 0.000 0.451 341 S N -0.049 115.220 115.700 -0.719 0.000 2.399 341 S HA -0.083 4.388 4.470 0.001 0.000 0.231 341 S C 1.807 176.041 174.600 -0.609 0.000 1.022 341 S CA 1.414 58.873 58.200 -1.234 0.000 0.983 341 S CB -0.622 62.049 63.200 -0.882 0.000 0.803 341 S HN 0.481 nan 8.310 nan 0.000 0.480 342 L N 0.585 121.580 121.223 -0.381 0.000 2.131 342 L HA 0.114 4.455 4.340 0.001 0.000 0.206 342 L C 2.556 179.257 176.870 -0.282 0.000 1.087 342 L CA 0.767 55.427 54.840 -0.300 0.000 0.767 342 L CB -0.568 41.323 42.059 -0.280 0.000 0.917 342 L HN 0.292 nan 8.230 nan 0.000 0.441 343 L N -0.157 120.908 121.223 -0.264 0.000 2.131 343 L HA -0.155 4.186 4.340 0.001 0.000 0.210 343 L C 2.798 179.503 176.870 -0.276 0.000 1.092 343 L CA 1.050 55.741 54.840 -0.248 0.000 0.759 343 L CB -0.750 41.161 42.059 -0.247 0.000 0.903 343 L HN 0.234 nan 8.230 nan 0.000 0.435 344 A N -0.509 122.116 122.820 -0.326 0.000 2.014 344 A HA -0.210 4.111 4.320 0.001 0.000 0.218 344 A C 2.200 179.696 177.584 -0.146 0.000 1.163 344 A CA 1.401 53.288 52.037 -0.251 0.000 0.652 344 A CB -0.283 18.606 19.000 -0.184 0.000 0.808 344 A HN 0.387 nan 8.150 nan 0.000 0.449 345 Q N 0.370 120.065 119.800 -0.175 0.000 2.020 345 Q HA -0.073 4.268 4.340 0.001 0.000 0.198 345 Q C 2.139 178.100 176.000 -0.066 0.000 0.974 345 Q CA 2.271 58.003 55.803 -0.118 0.000 0.829 345 Q CB -0.587 28.060 28.738 -0.152 0.000 0.894 345 Q HN 0.477 nan 8.270 nan 0.000 0.433 346 S N 0.005 115.658 115.700 -0.078 0.000 2.392 346 S HA -0.192 4.279 4.470 0.001 0.000 0.232 346 S C 1.816 176.504 174.600 0.146 0.000 1.041 346 S CA 1.169 59.373 58.200 0.007 0.000 1.026 346 S CB -0.972 62.211 63.200 -0.030 0.000 0.845 346 S HN 0.693 nan 8.310 nan 0.000 0.465 347 G N 1.727 110.580 108.800 0.088 0.000 2.422 347 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 347 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 347 G C 1.327 176.356 174.900 0.215 0.000 1.146 347 G CA 0.699 45.907 45.100 0.179 0.000 0.769 347 G HN 0.478 nan 8.290 nan 0.000 0.547 348 K N 0.495 120.959 120.400 0.107 0.000 2.113 348 K HA -0.136 4.185 4.320 0.001 0.000 0.208 348 K C 1.997 178.634 176.600 0.062 0.000 1.047 348 K CA 1.550 57.884 56.287 0.078 0.000 0.928 348 K CB -0.184 32.334 32.500 0.028 0.000 0.716 348 K HN 0.199 nan 8.250 nan 0.000 0.446 349 D N -0.292 120.120 120.400 0.020 0.000 2.219 349 D HA -0.125 4.516 4.640 0.001 0.000 0.205 349 D C 0.864 177.022 176.300 -0.236 0.000 0.970 349 D CA 1.122 55.029 54.000 -0.156 0.000 0.851 349 D CB -0.075 40.543 40.800 -0.304 0.000 0.943 349 D HN 0.326 nan 8.370 nan 0.000 0.488 350 Y N -0.674 119.698 120.300 0.119 0.000 2.493 350 Y HA 0.342 4.893 4.550 0.001 0.000 0.275 350 Y C 1.713 177.742 175.900 0.215 0.000 1.183 350 Y CA -0.044 58.170 58.100 0.189 0.000 1.258 350 Y CB 0.479 39.175 38.460 0.394 0.000 1.108 350 Y HN -0.020 nan 8.280 nan 0.000 0.521 351 G N 0.740 109.677 108.800 0.229 0.000 2.143 351 G HA2 -0.286 3.675 3.960 0.001 0.000 0.248 351 G HA3 -0.286 3.675 3.960 0.001 0.000 0.248 351 G C -0.177 174.838 174.900 0.192 0.000 0.991 351 G CA -0.083 45.124 45.100 0.179 0.000 0.689 351 G HN 0.288 nan 8.290 nan 0.000 0.522 352 L N 0.694 122.058 121.223 0.234 0.000 2.307 352 L HA 0.573 4.914 4.340 0.001 0.000 0.282 352 L C 0.293 177.280 176.870 0.195 0.000 1.051 352 L CA -0.528 54.446 54.840 0.224 0.000 0.804 352 L CB 1.781 44.002 42.059 0.270 0.000 1.197 352 L HN 0.061 nan 8.230 nan 0.000 0.431 353 T N 4.250 118.937 114.554 0.221 0.000 2.947 353 T HA 0.538 4.888 4.350 0.001 0.000 0.337 353 T C -0.132 174.698 174.700 0.216 0.000 1.139 353 T CA -0.359 61.851 62.100 0.183 0.000 0.992 353 T CB 0.329 69.287 68.868 0.151 0.000 1.043 353 T HN 0.376 nan 8.240 nan 0.000 0.498 354 M N 3.111 122.795 119.600 0.141 0.000 2.268 354 M HA 0.535 5.016 4.480 0.001 0.000 0.344 354 M C 0.489 176.903 176.300 0.189 0.000 1.106 354 M CA -0.700 54.658 55.300 0.097 0.000 1.010 354 M CB 1.883 34.357 32.600 -0.210 0.000 1.649 354 M HN 0.579 nan 8.290 nan 0.000 0.443 355 T N -0.379 114.270 114.554 0.159 0.000 2.864 355 T HA 0.744 5.095 4.350 0.001 0.000 0.289 355 T C -2.980 171.536 174.700 -0.307 0.000 1.082 355 T CA -2.170 59.929 62.100 -0.002 0.000 1.009 355 T CB 1.763 70.616 68.868 -0.026 0.000 1.234 355 T HN 0.337 nan 8.240 nan 0.000 0.526 356 P HA 0.337 nan 4.420 nan 0.000 0.269 356 P C -0.177 176.942 177.300 -0.303 0.000 1.209 356 P CA -0.210 62.381 63.100 -0.848 0.000 0.776 356 P CB 0.054 31.226 31.700 -0.881 0.000 0.876 357 A N 2.572 125.290 122.820 -0.171 0.000 2.531 357 A HA 0.086 4.406 4.320 0.001 0.000 0.236 357 A C 0.429 177.952 177.584 -0.103 0.000 1.062 357 A CA 0.260 52.228 52.037 -0.114 0.000 0.760 357 A CB -0.925 18.016 19.000 -0.099 0.000 0.995 357 A HN 0.684 nan 8.150 nan 0.000 0.501 358 D N 0.559 120.907 120.400 -0.087 0.000 2.699 358 D HA -0.174 4.467 4.640 0.001 0.000 0.239 358 D C 0.359 176.632 176.300 -0.046 0.000 1.136 358 D CA 1.548 55.512 54.000 -0.059 0.000 0.668 358 D CB -1.635 39.138 40.800 -0.046 0.000 1.060 358 D HN 0.862 nan 8.370 nan 0.000 0.429 359 K N -1.818 118.546 120.400 -0.060 0.000 3.013 359 K HA -0.255 4.066 4.320 0.001 0.000 0.275 359 K C 0.021 176.588 176.600 -0.056 0.000 1.086 359 K CA 1.164 57.420 56.287 -0.052 0.000 0.814 359 K CB -1.184 31.301 32.500 -0.024 0.000 1.212 359 K HN 0.423 nan 8.250 nan 0.000 0.468 360 S N -0.146 115.508 115.700 -0.076 0.000 2.558 360 S HA 0.095 4.566 4.470 0.001 0.000 0.287 360 S C 1.650 176.194 174.600 -0.093 0.000 1.321 360 S CA 0.093 58.249 58.200 -0.074 0.000 1.048 360 S CB 1.137 64.282 63.200 -0.092 0.000 0.844 360 S HN 0.445 nan 8.310 nan 0.000 0.512 361 A N 2.047 124.835 122.820 -0.053 0.000 2.067 361 A HA 0.173 4.494 4.320 0.001 0.000 0.217 361 A C 1.151 178.709 177.584 -0.042 0.000 1.156 361 A CA 1.042 53.056 52.037 -0.038 0.000 0.683 361 A CB -0.324 18.672 19.000 -0.007 0.000 0.808 361 A HN 0.847 nan 8.150 nan 0.000 0.455 362 T N -4.290 110.232 114.554 -0.054 0.000 2.906 362 T HA 0.627 4.978 4.350 0.001 0.000 0.295 362 T C -0.636 174.033 174.700 -0.052 0.000 1.061 362 T CA -0.703 61.399 62.100 0.004 0.000 1.000 362 T CB 0.952 69.852 68.868 0.054 0.000 1.103 362 T HN 0.023 nan 8.240 nan 0.000 0.486 363 F N 1.675 121.636 119.950 0.018 0.000 2.502 363 F HA 0.398 4.925 4.527 0.001 0.000 0.371 363 F C 1.196 177.008 175.800 0.020 0.000 1.083 363 F CA 0.036 58.049 58.000 0.021 0.000 1.174 363 F CB 0.338 39.347 39.000 0.015 0.000 1.096 363 F HN 0.585 nan 8.300 nan 0.000 0.545 364 E N 0.854 121.135 120.200 0.135 0.000 2.320 364 E HA 0.327 4.677 4.350 0.001 0.000 0.264 364 E C -0.567 176.085 176.600 0.086 0.000 0.923 364 E CA -1.101 55.356 56.400 0.095 0.000 0.796 364 E CB 1.604 31.336 29.700 0.052 0.000 1.262 364 E HN 0.348 nan 8.360 nan 0.000 0.428 365 T N 1.026 115.617 114.554 0.062 0.000 2.934 365 T HA 0.063 4.414 4.350 0.001 0.000 0.306 365 T C -0.136 174.573 174.700 0.015 0.000 1.042 365 T CA -0.086 62.039 62.100 0.042 0.000 1.145 365 T CB 0.214 69.098 68.868 0.026 0.000 0.982 365 T HN 0.073 nan 8.240 nan 0.000 0.544 366 V N 4.962 124.868 119.914 -0.012 0.000 2.407 366 V HA 0.520 4.641 4.120 0.001 0.000 0.278 366 V C 0.742 176.741 176.094 -0.159 0.000 1.037 366 V CA -0.597 61.654 62.300 -0.082 0.000 0.900 366 V CB 1.215 32.969 31.823 -0.115 0.000 0.983 366 V HN 1.151 nan 8.190 nan 0.000 0.459 367 T N -0.200 114.263 114.554 -0.153 0.000 2.916 367 T HA 0.367 4.718 4.350 0.001 0.000 0.292 367 T C 0.270 174.852 174.700 -0.195 0.000 1.064 367 T CA -0.691 61.308 62.100 -0.168 0.000 1.011 367 T CB 1.152 70.014 68.868 -0.010 0.000 1.152 367 T HN 0.485 nan 8.240 nan 0.000 0.510 368 W N 0.208 121.486 121.300 -0.037 0.000 2.560 368 W HA -0.000 4.660 4.660 0.001 0.000 0.252 368 W C 2.292 178.861 176.519 0.084 0.000 1.242 368 W CA 0.463 57.782 57.345 -0.043 0.000 1.242 368 W CB 0.147 29.580 29.460 -0.045 0.000 1.136 368 W HN 0.782 nan 8.180 nan 0.000 0.625 369 E N 0.514 120.874 120.200 0.267 0.000 2.166 369 E HA -0.120 4.230 4.350 0.001 0.000 0.192 369 E C 1.565 178.356 176.600 0.318 0.000 0.967 369 E CA 1.074 57.631 56.400 0.262 0.000 0.840 369 E CB -0.041 29.759 29.700 0.167 0.000 0.795 369 E HN 0.378 nan 8.360 nan 0.000 0.470 370 N N -0.022 118.824 118.700 0.244 0.000 2.205 370 N HA -0.017 4.724 4.740 0.001 0.000 0.201 370 N C 0.323 175.945 175.510 0.187 0.000 1.128 370 N CA -0.128 53.103 53.050 0.302 0.000 0.867 370 N CB 0.218 38.802 38.487 0.162 0.000 0.996 370 N HN -0.126 nan 8.380 nan 0.000 0.503 371 V N 1.785 121.754 119.914 0.092 0.000 2.614 371 V HA 0.419 4.540 4.120 0.001 0.000 0.291 371 V C 0.016 176.099 176.094 -0.019 0.000 1.049 371 V CA 0.105 62.367 62.300 -0.064 0.000 1.038 371 V CB 0.715 32.369 31.823 -0.280 0.000 0.980 371 V HN 0.606 nan 8.190 nan 0.000 0.481 372 T N 4.057 118.545 114.554 -0.109 0.000 2.916 372 T HA 0.741 5.092 4.350 0.001 0.000 0.292 372 T C -1.080 173.760 174.700 0.233 0.000 1.055 372 T CA -0.650 61.414 62.100 -0.060 0.000 1.009 372 T CB 1.854 70.460 68.868 -0.437 0.000 1.118 372 T HN 0.658 nan 8.240 nan 0.000 0.497 373 F N 2.639 122.682 119.950 0.156 0.000 2.604 373 F HA 0.503 5.031 4.527 0.001 0.000 0.316 373 F C -0.077 175.871 175.800 0.246 0.000 1.136 373 F CA -2.112 55.992 58.000 0.174 0.000 0.989 373 F CB 1.030 40.162 39.000 0.220 0.000 1.258 373 F HN 0.797 nan 8.300 nan 0.000 0.451 374 L N 5.566 126.585 121.223 -0.340 0.000 3.843 374 L HA -0.375 3.966 4.340 0.001 0.000 0.411 374 L C 0.897 177.642 176.870 -0.209 0.000 1.205 374 L CA 1.082 55.708 54.840 -0.357 0.000 0.945 374 L CB -1.585 40.236 42.059 -0.397 0.000 1.929 374 L HN 0.923 nan 8.230 nan 0.000 0.934 375 K N -1.991 118.325 120.400 -0.141 0.000 3.472 375 K HA -0.187 4.134 4.320 0.001 0.000 0.315 375 K C 0.321 176.849 176.600 -0.120 0.000 1.320 375 K CA 1.679 57.886 56.287 -0.133 0.000 0.962 375 K CB -0.490 31.927 32.500 -0.137 0.000 1.251 375 K HN 0.530 nan 8.250 nan 0.000 0.443 376 R N -0.069 120.379 120.500 -0.086 0.000 2.514 376 R HA 0.456 4.797 4.340 0.001 0.000 0.301 376 R C -0.080 176.243 176.300 0.038 0.000 0.962 376 R CA -0.697 55.356 56.100 -0.079 0.000 0.882 376 R CB 0.715 30.798 30.300 -0.361 0.000 1.143 376 R HN -0.119 nan 8.270 nan 0.000 0.452 377 F N 1.191 121.184 119.950 0.072 0.000 2.352 377 F HA 0.354 4.881 4.527 0.001 0.000 0.304 377 F C 0.242 176.178 175.800 0.227 0.000 1.215 377 F CA 0.100 58.233 58.000 0.223 0.000 1.121 377 F CB 0.543 39.630 39.000 0.145 0.000 1.329 377 F HN 0.275 nan 8.300 nan 0.000 0.528 378 F N 1.362 121.644 119.950 0.552 0.000 2.460 378 F HA 0.530 5.058 4.527 0.001 0.000 0.341 378 F C -0.373 175.623 175.800 0.328 0.000 1.130 378 F CA -0.799 57.487 58.000 0.477 0.000 0.962 378 F CB 1.107 40.343 39.000 0.393 0.000 1.171 378 F HN 0.014 nan 8.300 nan 0.000 0.436 379 R N 2.393 123.122 120.500 0.382 0.000 2.502 379 R HA 0.620 4.961 4.340 0.001 0.000 0.298 379 R C -0.573 175.884 176.300 0.262 0.000 1.018 379 R CA -1.019 55.233 56.100 0.254 0.000 0.899 379 R CB 1.802 32.183 30.300 0.136 0.000 1.181 379 R HN 0.699 nan 8.270 nan 0.000 0.444 380 A N 2.074 125.011 122.820 0.194 0.000 2.483 380 A HA 0.056 4.376 4.320 0.001 0.000 0.238 380 A C 0.056 177.793 177.584 0.255 0.000 1.070 380 A CA -0.114 52.029 52.037 0.175 0.000 0.770 380 A CB 0.105 19.153 19.000 0.081 0.000 1.008 380 A HN 0.661 nan 8.150 nan 0.000 0.497 381 D N 0.905 121.492 120.400 0.312 0.000 2.425 381 D HA 0.157 4.797 4.640 0.001 0.000 0.247 381 D C 1.111 177.545 176.300 0.223 0.000 1.147 381 D CA 0.430 54.678 54.000 0.414 0.000 0.879 381 D CB 0.563 41.681 40.800 0.530 0.000 1.179 381 D HN 0.601 nan 8.370 nan 0.000 0.456 382 E N 2.292 122.602 120.200 0.183 0.000 2.070 382 E HA -0.247 4.104 4.350 0.001 0.000 0.197 382 E C 1.480 178.112 176.600 0.053 0.000 1.004 382 E CA 1.356 57.808 56.400 0.087 0.000 0.805 382 E CB 0.154 29.885 29.700 0.050 0.000 0.744 382 E HN 0.453 nan 8.360 nan 0.000 0.451 383 K N -0.435 120.024 120.400 0.098 0.000 2.044 383 K HA -0.029 4.292 4.320 0.001 0.000 0.204 383 K C 0.046 176.420 176.600 -0.378 0.000 1.049 383 K CA 0.764 56.982 56.287 -0.116 0.000 0.945 383 K CB 0.208 32.690 32.500 -0.030 0.000 0.724 383 K HN 0.101 nan 8.250 nan 0.000 0.440 384 Y N 0.367 120.642 120.300 -0.041 0.000 2.842 384 Y HA 0.213 4.764 4.550 0.001 0.000 0.334 384 Y C -2.086 173.511 175.900 -0.504 0.000 1.019 384 Y CA -2.511 55.354 58.100 -0.392 0.000 1.258 384 Y CB 1.199 39.290 38.460 -0.615 0.000 1.106 384 Y HN 0.080 nan 8.280 nan 0.000 0.545 385 P HA -0.221 nan 4.420 nan 0.000 0.217 385 P C 1.167 178.433 177.300 -0.056 0.000 1.148 385 P CA 1.591 64.663 63.100 -0.047 0.000 0.828 385 P CB -0.103 31.624 31.700 0.045 0.000 0.783 386 F N -2.431 117.522 119.950 0.006 0.000 2.661 386 F HA 0.156 4.684 4.527 0.001 0.000 0.298 386 F C 0.659 176.394 175.800 -0.108 0.000 1.137 386 F CA -0.172 57.792 58.000 -0.060 0.000 1.454 386 F CB -1.181 37.773 39.000 -0.076 0.000 1.103 386 F HN -0.260 nan 8.300 nan 0.000 0.577 387 L N 3.349 124.292 121.223 -0.467 0.000 2.264 387 L HA 0.345 4.686 4.340 0.001 0.000 0.289 387 L C -0.383 176.498 176.870 0.018 0.000 1.044 387 L CA -0.704 53.892 54.840 -0.407 0.000 0.807 387 L CB 1.243 42.809 42.059 -0.821 0.000 1.192 387 L HN -0.004 nan 8.230 nan 0.000 0.425 388 I N 2.825 123.501 120.570 0.175 0.000 2.354 388 I HA 0.273 4.444 4.170 0.001 0.000 0.292 388 I C 0.358 176.703 176.117 0.380 0.000 0.989 388 I CA -0.499 60.981 61.300 0.299 0.000 1.188 388 I CB 1.033 39.218 38.000 0.309 0.000 1.342 388 I HN 0.463 nan 8.210 nan 0.000 0.457 389 H N 6.935 126.130 119.070 0.207 0.000 2.646 389 H HA 0.225 4.782 4.556 0.001 0.000 0.325 389 H C -2.127 173.012 175.328 -0.315 0.000 1.075 389 H CA -1.372 54.539 56.048 -0.228 0.000 1.421 389 H CB 1.112 30.660 29.762 -0.357 0.000 1.461 389 H HN 0.229 nan 8.280 nan 0.000 0.525 390 P HA 0.001 nan 4.420 nan 0.000 0.286 390 P C -0.256 176.615 177.300 -0.714 0.000 1.321 390 P CA -0.377 62.046 63.100 -1.128 0.000 0.790 390 P CB 0.634 31.330 31.700 -1.674 0.000 0.897 391 V N 3.493 123.227 119.914 -0.300 0.000 2.328 391 V HA 0.506 4.627 4.120 0.001 0.000 0.278 391 V C -0.253 175.797 176.094 -0.072 0.000 1.021 391 V CA -0.886 61.300 62.300 -0.189 0.000 0.838 391 V CB 0.877 32.631 31.823 -0.115 0.000 0.999 391 V HN 0.442 nan 8.190 nan 0.000 0.447 392 M N 8.925 128.427 119.600 -0.164 0.000 2.146 392 M HA 0.574 5.055 4.480 0.001 0.000 0.357 392 M C -2.425 173.814 176.300 -0.103 0.000 1.261 392 M CA -1.523 53.711 55.300 -0.109 0.000 1.106 392 M CB 1.512 34.008 32.600 -0.174 0.000 1.612 392 M HN 0.483 nan 8.290 nan 0.000 0.470 393 P HA 0.043 nan 4.420 nan 0.000 0.269 393 P C 0.284 177.459 177.300 -0.208 0.000 1.215 393 P CA -0.246 62.795 63.100 -0.098 0.000 0.780 393 P CB 0.511 32.205 31.700 -0.009 0.000 0.898 394 M N 1.138 120.561 119.600 -0.295 0.000 2.319 394 M HA -0.092 4.389 4.480 0.001 0.000 0.265 394 M C 1.841 177.773 176.300 -0.613 0.000 1.068 394 M CA 1.447 56.410 55.300 -0.561 0.000 1.118 394 M CB -1.201 31.013 32.600 -0.642 0.000 1.395 394 M HN 0.462 nan 8.290 nan 0.000 0.435 395 K N 1.081 121.308 120.400 -0.290 0.000 2.071 395 K HA -0.262 4.059 4.320 0.001 0.000 0.217 395 K C 1.649 178.188 176.600 -0.102 0.000 1.054 395 K CA 2.297 58.516 56.287 -0.114 0.000 0.937 395 K CB 0.069 32.551 32.500 -0.029 0.000 0.719 395 K HN 0.195 nan 8.250 nan 0.000 0.454 396 E N 0.361 120.488 120.200 -0.122 0.000 2.106 396 E HA -0.096 4.254 4.350 0.001 0.000 0.192 396 E C 1.920 178.461 176.600 -0.100 0.000 0.984 396 E CA 1.229 57.579 56.400 -0.083 0.000 0.806 396 E CB -0.042 29.606 29.700 -0.086 0.000 0.750 396 E HN 0.388 nan 8.360 nan 0.000 0.458 397 I N 0.145 120.587 120.570 -0.213 0.000 2.226 397 I HA -0.283 3.888 4.170 0.001 0.000 0.245 397 I C 1.941 177.957 176.117 -0.169 0.000 1.100 397 I CA 1.348 62.504 61.300 -0.240 0.000 1.374 397 I CB -0.293 37.431 38.000 -0.460 0.000 1.057 397 I HN 0.243 nan 8.210 nan 0.000 0.413 398 H N 0.152 119.106 119.070 -0.192 0.000 2.389 398 H HA -0.110 4.447 4.556 0.001 0.000 0.299 398 H C 2.148 177.425 175.328 -0.085 0.000 1.081 398 H CA 0.737 56.654 56.048 -0.219 0.000 1.345 398 H CB 0.202 29.938 29.762 -0.044 0.000 1.393 398 H HN 0.275 nan 8.280 nan 0.000 0.520 399 E N 0.450 120.722 120.200 0.121 0.000 2.058 399 E HA -0.177 4.173 4.350 0.001 0.000 0.194 399 E C 2.427 179.166 176.600 0.232 0.000 0.997 399 E CA 1.017 57.518 56.400 0.168 0.000 0.801 399 E CB -0.413 29.358 29.700 0.119 0.000 0.746 399 E HN 0.259 nan 8.360 nan 0.000 0.450 400 S N 0.866 116.660 115.700 0.156 0.000 2.368 400 S HA -0.122 4.349 4.470 0.001 0.000 0.225 400 S C 2.047 176.824 174.600 0.296 0.000 1.030 400 S CA 0.807 59.154 58.200 0.244 0.000 0.999 400 S CB -0.208 63.116 63.200 0.206 0.000 0.844 400 S HN 0.283 nan 8.310 nan 0.000 0.459 401 I N 0.836 121.440 120.570 0.057 0.000 2.676 401 I HA -0.031 4.140 4.170 0.001 0.000 0.259 401 I C 2.062 178.192 176.117 0.021 0.000 1.194 401 I CA 0.765 61.973 61.300 -0.154 0.000 1.473 401 I CB -0.109 37.654 38.000 -0.394 0.000 1.096 401 I HN 0.265 nan 8.210 nan 0.000 0.443 402 R N -0.336 120.210 120.500 0.077 0.000 2.339 402 R HA -0.058 4.283 4.340 0.001 0.000 0.199 402 R C -0.729 175.430 176.300 -0.234 0.000 1.018 402 R CA 0.657 56.706 56.100 -0.084 0.000 1.036 402 R CB -0.044 30.085 30.300 -0.284 0.000 0.899 402 R HN 0.262 nan 8.270 nan 0.000 0.473 403 W N -1.716 119.709 121.300 0.209 0.000 3.031 403 W HA 0.408 5.069 4.660 0.001 0.000 0.337 403 W C -0.231 176.433 176.519 0.240 0.000 1.187 403 W CA -0.713 56.749 57.345 0.195 0.000 1.166 403 W CB 1.606 31.154 29.460 0.148 0.000 1.437 403 W HN -0.388 nan 8.180 nan 0.000 0.551 404 T N 0.175 114.985 114.554 0.428 0.000 2.894 404 T HA 0.375 4.726 4.350 0.001 0.000 0.309 404 T C -0.074 174.752 174.700 0.210 0.000 1.208 404 T CA -0.635 61.648 62.100 0.305 0.000 1.016 404 T CB 1.519 70.534 68.868 0.245 0.000 1.192 404 T HN 0.542 nan 8.240 nan 0.000 0.491 405 K N 1.163 121.640 120.400 0.129 0.000 2.360 405 K HA 0.274 4.594 4.320 0.001 0.000 0.196 405 K C -0.593 176.046 176.600 0.065 0.000 1.049 405 K CA -0.167 56.168 56.287 0.080 0.000 1.049 405 K CB 0.545 33.065 32.500 0.033 0.000 0.881 405 K HN 0.448 nan 8.250 nan 0.000 0.542 406 D N -0.279 120.167 120.400 0.077 0.000 2.484 406 D HA 0.114 4.755 4.640 0.001 0.000 0.206 406 D C -2.557 173.790 176.300 0.079 0.000 1.322 406 D CA -1.615 52.423 54.000 0.063 0.000 0.913 406 D CB 1.782 42.608 40.800 0.043 0.000 1.559 406 D HN -0.288 nan 8.370 nan 0.000 0.565 407 P HA -0.070 nan 4.420 nan 0.000 0.223 407 P C 1.064 178.405 177.300 0.069 0.000 1.144 407 P CA 0.726 63.871 63.100 0.074 0.000 0.783 407 P CB 0.201 31.926 31.700 0.042 0.000 0.771 408 R N -0.792 119.742 120.500 0.056 0.000 2.293 408 R HA -0.009 4.332 4.340 0.001 0.000 0.219 408 R C 0.787 177.125 176.300 0.063 0.000 1.091 408 R CA 0.764 56.894 56.100 0.050 0.000 1.004 408 R CB -0.760 29.561 30.300 0.036 0.000 0.865 408 R HN 0.340 nan 8.270 nan 0.000 0.469 409 N N 0.123 118.873 118.700 0.084 0.000 2.280 409 N HA 0.010 4.751 4.740 0.001 0.000 0.192 409 N C 0.915 176.514 175.510 0.149 0.000 1.109 409 N CA 0.350 53.459 53.050 0.098 0.000 0.855 409 N CB 0.493 39.032 38.487 0.086 0.000 0.974 409 N HN 0.069 nan 8.380 nan 0.000 0.482 410 T N 1.116 115.759 114.554 0.149 0.000 2.684 410 T HA -0.208 4.142 4.350 0.001 0.000 0.267 410 T C 1.951 176.741 174.700 0.150 0.000 1.036 410 T CA 1.436 63.646 62.100 0.182 0.000 1.148 410 T CB -0.023 68.948 68.868 0.170 0.000 0.863 410 T HN 0.242 nan 8.240 nan 0.000 0.436 411 Q N 1.330 121.197 119.800 0.112 0.000 2.030 411 Q HA -0.165 4.176 4.340 0.001 0.000 0.204 411 Q C 1.841 177.893 176.000 0.087 0.000 0.986 411 Q CA 1.981 57.834 55.803 0.083 0.000 0.843 411 Q CB -0.519 28.257 28.738 0.063 0.000 0.904 411 Q HN 0.361 nan 8.270 nan 0.000 0.420 412 D N -1.016 119.442 120.400 0.097 0.000 2.097 412 D HA -0.173 4.468 4.640 0.001 0.000 0.195 412 D C 1.745 178.132 176.300 0.146 0.000 0.989 412 D CA 1.538 55.595 54.000 0.095 0.000 0.827 412 D CB -0.523 40.320 40.800 0.073 0.000 0.966 412 D HN 0.564 nan 8.370 nan 0.000 0.456 413 H N 0.111 119.208 119.070 0.044 0.000 2.265 413 H HA -0.136 4.421 4.556 0.001 0.000 0.295 413 H C 1.998 177.350 175.328 0.039 0.000 1.084 413 H CA 1.604 57.680 56.048 0.046 0.000 1.261 413 H CB 0.097 29.899 29.762 0.067 0.000 1.360 413 H HN -0.064 nan 8.280 nan 0.000 0.487 414 V N 0.666 120.615 119.914 0.059 0.000 2.427 414 V HA -0.218 3.902 4.120 0.001 0.000 0.248 414 V C 2.597 178.717 176.094 0.044 0.000 1.051 414 V CA 2.032 64.290 62.300 -0.070 0.000 1.048 414 V CB -0.613 31.091 31.823 -0.198 0.000 0.666 414 V HN 0.367 nan 8.190 nan 0.000 0.456 415 R N 0.168 120.707 120.500 0.066 0.000 2.091 415 R HA -0.154 4.187 4.340 0.001 0.000 0.238 415 R C 2.519 178.887 176.300 0.114 0.000 1.136 415 R CA 1.859 58.011 56.100 0.087 0.000 0.959 415 R CB -0.308 30.031 30.300 0.065 0.000 0.856 415 R HN 0.496 nan 8.270 nan 0.000 0.437 416 S N 0.582 116.351 115.700 0.115 0.000 2.382 416 S HA -0.082 4.389 4.470 0.001 0.000 0.228 416 S C 1.795 176.468 174.600 0.120 0.000 1.027 416 S CA 1.040 59.303 58.200 0.105 0.000 0.991 416 S CB -0.158 63.097 63.200 0.091 0.000 0.823 416 S HN 0.276 nan 8.310 nan 0.000 0.469 417 L N 0.741 122.057 121.223 0.155 0.000 2.042 417 L HA -0.187 4.153 4.340 0.001 0.000 0.210 417 L C 2.559 179.550 176.870 0.202 0.000 1.076 417 L CA 0.905 55.831 54.840 0.145 0.000 0.749 417 L CB -0.856 41.305 42.059 0.170 0.000 0.893 417 L HN 0.420 nan 8.230 nan 0.000 0.432 418 C N -0.175 119.325 119.300 0.334 0.000 2.413 418 C HA -0.166 4.295 4.460 0.001 0.000 0.276 418 C C 2.738 177.938 174.990 0.350 0.000 1.248 418 C CA 0.413 59.723 59.018 0.487 0.000 1.742 418 C CB -0.814 27.199 27.740 0.456 0.000 2.017 418 C HN 0.438 nan 8.230 nan 0.000 0.481 419 L N 0.096 121.455 121.223 0.227 0.000 2.191 419 L HA -0.122 4.219 4.340 0.001 0.000 0.212 419 L C 2.293 179.294 176.870 0.218 0.000 1.103 419 L CA 1.478 56.459 54.840 0.235 0.000 0.769 419 L CB -0.635 41.505 42.059 0.136 0.000 0.908 419 L HN 0.475 nan 8.230 nan 0.000 0.438 420 L N -0.960 120.322 121.223 0.098 0.000 2.202 420 L HA 0.012 4.353 4.340 0.001 0.000 0.205 420 L C 2.783 179.592 176.870 -0.103 0.000 1.083 420 L CA 0.687 55.516 54.840 -0.017 0.000 0.790 420 L CB -0.494 41.522 42.059 -0.072 0.000 0.942 420 L HN 0.124 nan 8.230 nan 0.000 0.452 421 A N 0.792 123.576 122.820 -0.061 0.000 1.930 421 A HA -0.197 4.124 4.320 0.001 0.000 0.217 421 A C 2.104 179.661 177.584 -0.045 0.000 1.175 421 A CA 1.244 53.202 52.037 -0.132 0.000 0.627 421 A CB -0.845 18.002 19.000 -0.255 0.000 0.815 421 A HN 0.709 nan 8.150 nan 0.000 0.443 422 W N -0.212 120.966 121.300 -0.203 0.000 2.465 422 W HA -0.130 4.531 4.660 0.001 0.000 0.268 422 W C 1.141 177.442 176.519 -0.363 0.000 1.242 422 W CA 1.182 58.259 57.345 -0.446 0.000 1.248 422 W CB -1.024 27.813 29.460 -1.039 0.000 1.118 422 W HN 0.486 nan 8.180 nan 0.000 0.587 423 H N 1.212 119.588 119.070 -1.156 0.000 2.521 423 H HA -0.050 4.506 4.556 0.001 0.000 0.286 423 H C 1.490 176.422 175.328 -0.661 0.000 1.034 423 H CA 1.140 56.468 56.048 -1.200 0.000 1.278 423 H CB -0.471 28.680 29.762 -1.018 0.000 1.386 423 H HN 0.316 nan 8.280 nan 0.000 0.567 424 N N 0.731 119.255 118.700 -0.293 0.000 2.609 424 N HA -0.024 4.717 4.740 0.001 0.000 0.190 424 N C 0.691 176.115 175.510 -0.145 0.000 1.157 424 N CA 0.833 53.767 53.050 -0.193 0.000 0.918 424 N CB 0.488 38.891 38.487 -0.139 0.000 0.978 424 N HN 0.406 nan 8.380 nan 0.000 0.448 425 G N 1.056 109.781 108.800 -0.125 0.000 2.663 425 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 425 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 425 G C 0.311 175.187 174.900 -0.041 0.000 1.246 425 G CA -0.158 44.896 45.100 -0.077 0.000 0.795 425 G HN 0.200 nan 8.290 nan 0.000 0.627 426 E N -0.251 119.680 120.200 -0.448 0.000 2.085 426 E HA -0.201 4.150 4.350 0.001 0.000 0.194 426 E C 2.057 178.539 176.600 -0.197 0.000 0.994 426 E CA 1.848 57.794 56.400 -0.757 0.000 0.801 426 E CB -0.039 28.987 29.700 -1.122 0.000 0.743 426 E HN 0.664 nan 8.360 nan 0.000 0.453 427 E N 0.059 120.171 120.200 -0.145 0.000 2.051 427 E HA -0.234 4.117 4.350 0.001 0.000 0.192 427 E C 2.045 178.653 176.600 0.015 0.000 0.991 427 E CA 1.070 57.436 56.400 -0.056 0.000 0.799 427 E CB 0.014 29.676 29.700 -0.062 0.000 0.748 427 E HN 0.195 nan 8.360 nan 0.000 0.449 428 E N -0.063 120.153 120.200 0.026 0.000 2.077 428 E HA -0.201 4.150 4.350 0.001 0.000 0.193 428 E C 1.865 178.563 176.600 0.164 0.000 0.989 428 E CA 0.985 57.426 56.400 0.068 0.000 0.800 428 E CB -0.419 29.294 29.700 0.021 0.000 0.746 428 E HN 0.421 nan 8.360 nan 0.000 0.452 429 Y N 2.273 122.628 120.300 0.092 0.000 2.145 429 Y HA -0.177 4.373 4.550 0.001 0.000 0.286 429 Y C 1.936 177.972 175.900 0.227 0.000 1.145 429 Y CA 1.653 59.880 58.100 0.212 0.000 1.148 429 Y CB -0.285 38.367 38.460 0.318 0.000 0.981 429 Y HN 0.022 nan 8.280 nan 0.000 0.507 430 N N 0.594 119.367 118.700 0.120 0.000 2.149 430 N HA -0.190 4.551 4.740 0.001 0.000 0.188 430 N C 1.826 177.326 175.510 -0.017 0.000 1.019 430 N CA 1.445 54.500 53.050 0.008 0.000 0.857 430 N CB -0.375 38.133 38.487 0.035 0.000 0.997 430 N HN 0.416 nan 8.380 nan 0.000 0.426 431 K N -0.195 120.229 120.400 0.040 0.000 2.057 431 K HA -0.103 4.217 4.320 0.001 0.000 0.206 431 K C 1.906 178.571 176.600 0.109 0.000 1.050 431 K CA 0.690 57.010 56.287 0.055 0.000 0.935 431 K CB -0.226 32.320 32.500 0.076 0.000 0.715 431 K HN -0.004 nan 8.250 nan 0.000 0.439 432 F N 1.982 121.920 119.950 -0.021 0.000 2.065 432 F HA -0.246 4.282 4.527 0.001 0.000 0.298 432 F C 1.659 177.422 175.800 -0.062 0.000 1.112 432 F CA 1.575 59.590 58.000 0.025 0.000 1.212 432 F CB -0.569 38.399 39.000 -0.052 0.000 0.975 432 F HN -0.018 nan 8.300 nan 0.000 0.476 433 L N -0.256 120.789 121.223 -0.297 0.000 2.012 433 L HA -0.230 4.111 4.340 0.001 0.000 0.210 433 L C 2.788 179.523 176.870 -0.225 0.000 1.073 433 L CA 1.318 55.929 54.840 -0.383 0.000 0.748 433 L CB -1.334 40.520 42.059 -0.341 0.000 0.891 433 L HN 0.256 nan 8.230 nan 0.000 0.431 434 A N -0.164 122.575 122.820 -0.136 0.000 1.908 434 A HA -0.249 4.072 4.320 0.001 0.000 0.218 434 A C 2.378 179.895 177.584 -0.112 0.000 1.181 434 A CA 1.860 53.839 52.037 -0.096 0.000 0.627 434 A CB -0.396 18.567 19.000 -0.063 0.000 0.818 434 A HN 0.303 nan 8.150 nan 0.000 0.445 435 K N -0.716 119.606 120.400 -0.131 0.000 2.057 435 K HA 0.001 4.322 4.320 0.001 0.000 0.206 435 K C 1.835 178.322 176.600 -0.188 0.000 1.050 435 K CA 1.258 57.416 56.287 -0.216 0.000 0.935 435 K CB -0.288 32.012 32.500 -0.335 0.000 0.715 435 K HN 0.534 nan 8.250 nan 0.000 0.439 436 I N 0.653 121.127 120.570 -0.161 0.000 2.163 436 I HA -0.297 3.874 4.170 0.001 0.000 0.243 436 I C 1.948 178.084 176.117 0.032 0.000 1.085 436 I CA 1.364 62.588 61.300 -0.126 0.000 1.347 436 I CB -0.097 37.635 38.000 -0.446 0.000 1.044 436 I HN 0.087 nan 8.210 nan 0.000 0.408 437 R N 0.391 120.858 120.500 -0.055 0.000 2.339 437 R HA -0.047 4.294 4.340 0.001 0.000 0.199 437 R C 2.026 178.317 176.300 -0.016 0.000 1.018 437 R CA 0.903 56.991 56.100 -0.021 0.000 1.036 437 R CB -0.188 30.082 30.300 -0.049 0.000 0.899 437 R HN 0.411 nan 8.270 nan 0.000 0.473 438 S N -0.792 114.892 115.700 -0.026 0.000 2.603 438 S HA 0.035 4.506 4.470 0.001 0.000 0.220 438 S C 0.712 175.293 174.600 -0.031 0.000 0.967 438 S CA -0.205 57.968 58.200 -0.045 0.000 0.920 438 S CB -0.053 63.095 63.200 -0.087 0.000 0.773 438 S HN 0.076 nan 8.310 nan 0.000 0.529 439 V N -3.791 116.123 119.914 0.001 0.000 2.962 439 V HA 0.617 4.737 4.120 0.001 0.000 0.313 439 V C -2.456 173.622 176.094 -0.027 0.000 1.099 439 V CA -2.402 59.879 62.300 -0.032 0.000 0.971 439 V CB 1.372 33.146 31.823 -0.081 0.000 1.028 439 V HN -0.150 nan 8.190 nan 0.000 0.430 440 P HA -0.032 nan 4.420 nan 0.000 0.215 440 P C 1.676 178.958 177.300 -0.030 0.000 1.153 440 P CA 1.497 64.575 63.100 -0.036 0.000 0.853 440 P CB 0.169 31.842 31.700 -0.045 0.000 0.788 441 I N -0.649 119.879 120.570 -0.069 0.000 2.226 441 I HA -0.192 3.979 4.170 0.001 0.000 0.245 441 I C 2.488 178.639 176.117 0.058 0.000 1.100 441 I CA 1.810 63.079 61.300 -0.052 0.000 1.374 441 I CB -1.152 36.754 38.000 -0.156 0.000 1.057 441 I HN 0.008 nan 8.210 nan 0.000 0.413 442 G N 0.385 109.264 108.800 0.132 0.000 2.450 442 G HA2 -0.247 3.713 3.960 0.001 0.000 0.220 442 G HA3 -0.247 3.713 3.960 0.001 0.000 0.220 442 G C 1.782 176.745 174.900 0.104 0.000 1.130 442 G CA 0.485 45.759 45.100 0.290 0.000 0.760 442 G HN 0.326 nan 8.290 nan 0.000 0.557 443 R N 0.175 120.706 120.500 0.051 0.000 2.276 443 R HA 0.197 4.537 4.340 0.001 0.000 0.203 443 R C 2.483 178.793 176.300 0.017 0.000 1.017 443 R CA 0.619 56.730 56.100 0.019 0.000 1.010 443 R CB -0.004 30.298 30.300 0.003 0.000 0.900 443 R HN 0.334 nan 8.270 nan 0.000 0.469 444 A N 0.566 123.402 122.820 0.027 0.000 2.251 444 A HA 0.173 4.494 4.320 0.001 0.000 0.209 444 A C 0.564 178.166 177.584 0.031 0.000 1.187 444 A CA 0.004 52.055 52.037 0.022 0.000 0.823 444 A CB 0.134 19.145 19.000 0.017 0.000 0.846 444 A HN 0.073 nan 8.150 nan 0.000 0.486 445 L N 0.483 121.729 121.223 0.039 0.000 2.312 445 L HA 0.299 4.640 4.340 0.001 0.000 0.281 445 L C -0.541 176.339 176.870 0.016 0.000 1.070 445 L CA -0.785 54.075 54.840 0.035 0.000 0.805 445 L CB 1.203 43.286 42.059 0.042 0.000 1.174 445 L HN 0.089 nan 8.230 nan 0.000 0.434 446 D N 4.314 124.724 120.400 0.018 0.000 2.365 446 D HA 0.395 5.035 4.640 0.001 0.000 0.237 446 D C -0.791 175.519 176.300 0.016 0.000 1.190 446 D CA 0.024 54.033 54.000 0.014 0.000 0.867 446 D CB 0.457 41.266 40.800 0.015 0.000 1.050 446 D HN 0.259 nan 8.370 nan 0.000 0.491 447 L N 4.819 126.051 121.223 0.015 0.000 2.334 447 L HA 0.536 4.877 4.340 0.001 0.000 0.276 447 L C -1.962 174.946 176.870 0.062 0.000 1.014 447 L CA -2.091 52.768 54.840 0.031 0.000 0.815 447 L CB 1.778 43.833 42.059 -0.006 0.000 1.268 447 L HN 0.294 nan 8.230 nan 0.000 0.428 448 P HA 0.181 nan 4.420 nan 0.000 0.276 448 P C -0.830 176.567 177.300 0.163 0.000 1.230 448 P CA -0.440 62.700 63.100 0.066 0.000 0.776 448 P CB 0.689 32.383 31.700 -0.011 0.000 0.888 449 E N 1.280 121.543 120.200 0.105 0.000 2.343 449 E HA 0.014 4.365 4.350 0.001 0.000 0.269 449 E C 0.836 177.497 176.600 0.101 0.000 1.047 449 E CA -0.393 56.118 56.400 0.186 0.000 0.874 449 E CB 0.454 30.227 29.700 0.120 0.000 1.033 449 E HN 0.500 nan 8.360 nan 0.000 0.409 450 Y N 3.060 123.414 120.300 0.089 0.000 2.102 450 Y HA -0.370 4.181 4.550 0.001 0.000 0.280 450 Y C 2.340 178.140 175.900 -0.166 0.000 1.178 450 Y CA 2.768 60.779 58.100 -0.150 0.000 1.146 450 Y CB -0.063 38.429 38.460 0.053 0.000 0.968 450 Y HN 0.573 nan 8.280 nan 0.000 0.504 451 S N -1.872 113.937 115.700 0.181 0.000 2.402 451 S HA -0.182 4.289 4.470 0.001 0.000 0.229 451 S C 1.860 176.440 174.600 -0.033 0.000 1.021 451 S CA 1.533 59.827 58.200 0.157 0.000 0.974 451 S CB -1.017 62.301 63.200 0.197 0.000 0.800 451 S HN 0.529 nan 8.310 nan 0.000 0.484 452 T N 2.679 117.176 114.554 -0.096 0.000 2.821 452 T HA 0.147 4.498 4.350 0.001 0.000 0.267 452 T C 1.669 176.182 174.700 -0.312 0.000 1.046 452 T CA 1.373 63.384 62.100 -0.149 0.000 1.139 452 T CB -0.403 68.400 68.868 -0.109 0.000 0.871 452 T HN 0.325 nan 8.240 nan 0.000 0.454 453 L N -0.651 120.222 121.223 -0.583 0.000 2.095 453 L HA 0.007 4.348 4.340 0.001 0.000 0.204 453 L C 2.374 178.598 176.870 -1.077 0.000 1.080 453 L CA 1.115 55.349 54.840 -1.011 0.000 0.759 453 L CB -0.496 40.515 42.059 -1.747 0.000 0.914 453 L HN 0.211 nan 8.230 nan 0.000 0.439 454 Y N 0.788 120.389 120.300 -1.165 0.000 2.145 454 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 454 Y C 2.857 178.702 175.900 -0.091 0.000 1.145 454 Y CA 1.440 59.208 58.100 -0.553 0.000 1.148 454 Y CB -0.253 38.010 38.460 -0.328 0.000 0.981 454 Y HN -0.035 nan 8.280 nan 0.000 0.507 455 R N 0.524 120.922 120.500 -0.171 0.000 2.081 455 R HA -0.169 4.172 4.340 0.001 0.000 0.235 455 R C 2.502 178.721 176.300 -0.135 0.000 1.131 455 R CA 1.640 57.641 56.100 -0.165 0.000 0.960 455 R CB -0.511 29.737 30.300 -0.087 0.000 0.856 455 R HN 0.372 nan 8.270 nan 0.000 0.436 456 R N -0.810 119.609 120.500 -0.136 0.000 2.081 456 R HA -0.197 4.143 4.340 0.001 0.000 0.235 456 R C 2.098 178.405 176.300 0.012 0.000 1.131 456 R CA 1.806 57.855 56.100 -0.086 0.000 0.960 456 R CB -0.432 29.794 30.300 -0.124 0.000 0.856 456 R HN 0.247 nan 8.270 nan 0.000 0.436 457 W N 1.255 122.479 121.300 -0.126 0.000 2.355 457 W HA -0.164 4.497 4.660 0.001 0.000 0.309 457 W C 1.627 178.218 176.519 0.120 0.000 1.206 457 W CA 1.436 58.829 57.345 0.079 0.000 1.284 457 W CB -0.508 29.189 29.460 0.395 0.000 1.145 457 W HN 0.026 nan 8.180 nan 0.000 0.502 458 L N 0.235 121.442 121.223 -0.027 0.000 2.012 458 L HA -0.261 4.079 4.340 0.001 0.000 0.210 458 L C 2.216 179.008 176.870 -0.129 0.000 1.073 458 L CA 1.827 56.523 54.840 -0.241 0.000 0.748 458 L CB -1.151 40.660 42.059 -0.413 0.000 0.891 458 L HN -0.096 nan 8.230 nan 0.000 0.431 459 D N -0.180 120.149 120.400 -0.118 0.000 2.221 459 D HA -0.152 4.489 4.640 0.001 0.000 0.204 459 D C 2.377 178.613 176.300 -0.105 0.000 0.982 459 D CA 1.617 55.560 54.000 -0.095 0.000 0.857 459 D CB -0.108 40.643 40.800 -0.081 0.000 0.934 459 D HN 0.385 nan 8.370 nan 0.000 0.475 460 S N -0.578 115.021 115.700 -0.167 0.000 2.469 460 S HA -0.104 4.366 4.470 0.001 0.000 0.238 460 S C 0.888 175.248 174.600 -0.399 0.000 0.998 460 S CA 0.190 58.220 58.200 -0.283 0.000 0.957 460 S CB -0.411 62.586 63.200 -0.339 0.000 0.764 460 S HN 0.028 nan 8.310 nan 0.000 0.514 461 F N 0.000 119.806 119.950 -0.241 0.000 2.286 461 F HA 0.000 4.528 4.527 0.001 0.000 0.279 461 F CA 0.000 57.879 58.000 -0.201 0.000 1.383 461 F CB 0.000 38.831 39.000 -0.282 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574