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 2v3w_1_B DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAA RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVSPV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.666 177.584 0.137 0.000 1.274 2 A CA 0.000 52.111 52.037 0.123 0.000 0.836 2 A CB 0.000 19.096 19.000 0.160 0.000 0.831 3 S N -0.152 115.648 115.700 0.166 0.000 2.672 3 S HA 0.525 4.995 4.470 0.000 0.000 0.276 3 S C 1.082 175.839 174.600 0.263 0.000 1.207 3 S CA 0.002 58.323 58.200 0.201 0.000 1.002 3 S CB 1.168 64.498 63.200 0.215 0.000 0.998 3 S HN 1.434 nan 8.310 nan 0.000 0.542 4 V N 1.709 121.784 119.914 0.269 0.000 2.332 4 V HA -0.212 3.908 4.120 0.000 0.000 0.248 4 V C 2.576 178.979 176.094 0.515 0.000 1.055 4 V CA 2.297 64.771 62.300 0.291 0.000 1.038 4 V CB -1.441 30.468 31.823 0.144 0.000 0.651 4 V HN 1.048 nan 8.190 nan 0.000 0.450 5 H N 0.939 120.340 119.070 0.553 0.000 2.265 5 H HA -0.199 4.357 4.556 0.000 0.000 0.295 5 H C 2.318 177.876 175.328 0.383 0.000 1.084 5 H CA 2.461 58.839 56.048 0.550 0.000 1.261 5 H CB -0.568 29.418 29.762 0.375 0.000 1.360 5 H HN 0.419 nan 8.280 nan 0.000 0.487 6 G N -0.802 108.295 108.800 0.495 0.000 2.402 6 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 6 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 6 G C 1.828 176.880 174.900 0.254 0.000 1.162 6 G CA 1.298 46.599 45.100 0.336 0.000 0.777 6 G HN 0.474 nan 8.290 nan 0.000 0.539 7 T N 1.004 115.733 114.554 0.292 0.000 2.746 7 T HA -0.112 4.238 4.350 0.000 0.000 0.267 7 T C 2.619 177.512 174.700 0.322 0.000 1.039 7 T CA 1.788 64.097 62.100 0.349 0.000 1.142 7 T CB -0.465 68.603 68.868 0.333 0.000 0.866 7 T HN 0.292 nan 8.240 nan 0.000 0.444 8 T N 0.848 115.564 114.554 0.270 0.000 2.812 8 T HA -0.036 4.314 4.350 0.000 0.000 0.264 8 T C 1.656 176.358 174.700 0.003 0.000 1.042 8 T CA 0.968 63.182 62.100 0.189 0.000 1.140 8 T CB -0.489 68.574 68.868 0.326 0.000 0.870 8 T HN 0.379 nan 8.240 nan 0.000 0.445 9 Y N 1.382 121.630 120.300 -0.086 0.000 2.274 9 Y HA -0.064 4.486 4.550 0.000 0.000 0.290 9 Y C 2.598 178.427 175.900 -0.117 0.000 1.145 9 Y CA 1.060 58.985 58.100 -0.291 0.000 1.203 9 Y CB -0.248 37.886 38.460 -0.543 0.000 0.984 9 Y HN 0.183 nan 8.280 nan 0.000 0.533 10 E N 0.313 120.526 120.200 0.022 0.000 2.072 10 E HA -0.179 4.172 4.350 0.000 0.000 0.191 10 E C 2.058 178.500 176.600 -0.262 0.000 0.985 10 E CA 0.898 57.169 56.400 -0.214 0.000 0.801 10 E CB -0.555 28.850 29.700 -0.491 0.000 0.750 10 E HN 0.325 nan 8.360 nan 0.000 0.452 11 L N 0.299 121.502 121.223 -0.033 0.000 1.990 11 L HA -0.165 4.175 4.340 0.000 0.000 0.213 11 L C 2.160 179.078 176.870 0.080 0.000 1.072 11 L CA 1.801 56.746 54.840 0.175 0.000 0.755 11 L CB -0.679 41.551 42.059 0.285 0.000 0.889 11 L HN 0.284 nan 8.230 nan 0.000 0.432 12 L N -0.759 120.502 121.223 0.063 0.000 1.989 12 L HA -0.248 4.092 4.340 0.000 0.000 0.211 12 L C 2.824 179.767 176.870 0.123 0.000 1.071 12 L CA 1.884 56.771 54.840 0.079 0.000 0.749 12 L CB -0.675 41.405 42.059 0.034 0.000 0.890 12 L HN 0.327 nan 8.230 nan 0.000 0.431 13 R N 0.042 120.653 120.500 0.184 0.000 2.083 13 R HA -0.155 4.185 4.340 0.000 0.000 0.237 13 R C 2.460 178.744 176.300 -0.027 0.000 1.137 13 R CA 1.389 57.521 56.100 0.054 0.000 0.951 13 R CB -0.055 30.298 30.300 0.088 0.000 0.851 13 R HN 0.224 nan 8.270 nan 0.000 0.434 14 R N 0.025 120.504 120.500 -0.036 0.000 2.189 14 R HA -0.027 4.314 4.340 0.000 0.000 0.218 14 R C 1.634 177.935 176.300 0.002 0.000 1.074 14 R CA 0.683 56.767 56.100 -0.026 0.000 0.991 14 R CB 0.035 30.317 30.300 -0.030 0.000 0.883 14 R HN 0.389 nan 8.270 nan 0.000 0.457 15 Q N -0.458 119.348 119.800 0.011 0.000 2.403 15 Q HA 0.116 4.456 4.340 0.000 0.000 0.203 15 Q C 0.747 176.753 176.000 0.010 0.000 0.932 15 Q CA 0.541 56.346 55.803 0.003 0.000 0.945 15 Q CB 0.848 29.575 28.738 -0.019 0.000 1.045 15 Q HN 0.529 nan 8.270 nan 0.000 0.511 16 G N 1.226 110.024 108.800 -0.003 0.000 2.141 16 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 16 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 16 G C -0.038 174.855 174.900 -0.011 0.000 0.982 16 G CA -0.197 44.896 45.100 -0.011 0.000 0.662 16 G HN 0.276 nan 8.290 nan 0.000 0.527 17 I N 1.902 122.469 120.570 -0.004 0.000 2.342 17 I HA 0.459 4.629 4.170 0.000 0.000 0.291 17 I C 0.605 176.597 176.117 -0.208 0.000 1.010 17 I CA -0.104 61.210 61.300 0.023 0.000 1.308 17 I CB 1.651 39.719 38.000 0.112 0.000 1.400 17 I HN 0.242 nan 8.210 nan 0.000 0.488 18 D N 1.754 121.982 120.400 -0.287 0.000 2.539 18 D HA 0.116 4.757 4.640 0.000 0.000 0.232 18 D C -0.220 175.872 176.300 -0.346 0.000 1.256 18 D CA -0.118 53.425 54.000 -0.762 0.000 0.810 18 D CB 0.370 40.853 40.800 -0.529 0.000 1.090 18 D HN 0.308 nan 8.370 nan 0.000 0.519 19 T N 0.068 114.611 114.554 -0.018 0.000 2.921 19 T HA 0.512 4.862 4.350 0.000 0.000 0.297 19 T C -0.928 173.820 174.700 0.080 0.000 1.013 19 T CA -0.591 61.473 62.100 -0.060 0.000 0.990 19 T CB 2.466 71.116 68.868 -0.362 0.000 1.023 19 T HN -0.127 nan 8.240 nan 0.000 0.447 20 V N 3.984 123.946 119.914 0.081 0.000 2.384 20 V HA 0.515 4.635 4.120 0.000 0.000 0.287 20 V C -0.842 175.006 176.094 -0.411 0.000 1.020 20 V CA -0.836 61.588 62.300 0.206 0.000 0.850 20 V CB 0.585 32.744 31.823 0.561 0.000 0.987 20 V HN 0.787 nan 8.190 nan 0.000 0.436 21 F N 3.064 122.953 119.950 -0.101 0.000 2.404 21 F HA 0.810 5.337 4.527 0.000 0.000 0.345 21 F C 0.926 176.578 175.800 -0.245 0.000 1.110 21 F CA -0.032 57.808 58.000 -0.267 0.000 1.130 21 F CB 1.777 40.678 39.000 -0.166 0.000 1.129 21 F HN 0.635 nan 8.300 nan 0.000 0.500 22 G N 2.033 110.704 108.800 -0.215 0.000 2.608 22 G HA2 0.314 4.274 3.960 0.000 0.000 0.291 22 G HA3 0.314 4.274 3.960 0.000 0.000 0.291 22 G C -2.246 172.719 174.900 0.109 0.000 1.425 22 G CA -0.918 44.172 45.100 -0.018 0.000 0.787 22 G HN 0.574 nan 8.290 nan 0.000 0.484 23 N N 0.972 119.781 118.700 0.183 0.000 2.519 23 N HA 0.437 5.177 4.740 0.000 0.000 0.286 23 N C -2.922 172.685 175.510 0.161 0.000 1.079 23 N CA -1.150 52.003 53.050 0.170 0.000 0.878 23 N CB 3.387 41.936 38.487 0.103 0.000 1.375 23 N HN 0.335 nan 8.380 nan 0.000 0.514 24 P HA 0.483 nan 4.420 nan 0.000 0.278 24 P C -0.385 176.859 177.300 -0.092 0.000 1.258 24 P CA -0.046 63.091 63.100 0.062 0.000 0.811 24 P CB 1.966 33.662 31.700 -0.006 0.000 1.063 25 G N -1.055 107.653 108.800 -0.152 0.000 2.608 25 G HA2 0.359 4.319 3.960 0.000 0.000 0.291 25 G HA3 0.359 4.319 3.960 0.000 0.000 0.291 25 G C 0.742 175.535 174.900 -0.178 0.000 1.425 25 G CA 0.100 44.898 45.100 -0.502 0.000 0.787 25 G HN 0.422 nan 8.290 nan 0.000 0.484 26 S N 0.341 115.956 115.700 -0.142 0.000 2.372 26 S HA -0.240 4.231 4.470 0.000 0.000 0.227 26 S C 1.827 176.416 174.600 -0.017 0.000 1.044 26 S CA 2.090 60.260 58.200 -0.050 0.000 1.050 26 S CB -0.468 62.721 63.200 -0.018 0.000 0.901 26 S HN 0.473 nan 8.310 nan 0.000 0.447 27 N N 1.984 120.822 118.700 0.231 0.000 2.348 27 N HA -0.043 4.697 4.740 0.000 0.000 0.185 27 N C 1.290 176.987 175.510 0.313 0.000 1.019 27 N CA 1.427 54.665 53.050 0.313 0.000 0.880 27 N CB -0.428 38.271 38.487 0.354 0.000 0.965 27 N HN 0.652 nan 8.380 nan 0.000 0.437 28 E N -0.393 119.959 120.200 0.253 0.000 2.472 28 E HA 0.193 4.543 4.350 0.000 0.000 0.196 28 E C 1.751 178.452 176.600 0.168 0.000 1.033 28 E CA -0.113 56.439 56.400 0.253 0.000 0.886 28 E CB 0.081 29.934 29.700 0.255 0.000 0.944 28 E HN 0.268 nan 8.360 nan 0.000 0.492 29 L N 0.858 122.119 121.223 0.064 0.000 2.046 29 L HA -0.079 4.261 4.340 0.000 0.000 0.208 29 L C -0.679 176.208 176.870 0.029 0.000 1.077 29 L CA 1.243 56.082 54.840 -0.002 0.000 0.747 29 L CB -1.403 40.616 42.059 -0.066 0.000 0.896 29 L HN 0.121 nan 8.230 nan 0.000 0.432 30 P HA -0.174 nan 4.420 nan 0.000 0.230 30 P C 1.231 178.607 177.300 0.127 0.000 1.158 30 P CA 1.122 64.330 63.100 0.180 0.000 0.769 30 P CB 0.002 31.928 31.700 0.377 0.000 0.807 31 F N -0.151 119.617 119.950 -0.303 0.000 2.262 31 F HA 0.115 4.642 4.527 0.000 0.000 0.292 31 F C 1.663 177.390 175.800 -0.123 0.000 1.081 31 F CA 0.988 58.553 58.000 -0.726 0.000 1.355 31 F CB -0.558 37.797 39.000 -1.076 0.000 1.069 31 F HN -0.301 nan 8.300 nan 0.000 0.506 32 L N 0.963 122.103 121.223 -0.138 0.000 2.492 32 L HA 0.007 4.347 4.340 0.000 0.000 0.223 32 L C 0.948 177.795 176.870 -0.038 0.000 1.132 32 L CA 0.075 54.839 54.840 -0.126 0.000 0.850 32 L CB -0.705 41.264 42.059 -0.151 0.000 0.966 32 L HN 0.029 nan 8.230 nan 0.000 0.454 33 K N -0.232 120.164 120.400 -0.007 0.000 2.319 33 K HA -0.015 4.306 4.320 0.000 0.000 0.265 33 K C -0.271 176.319 176.600 -0.015 0.000 1.000 33 K CA -0.307 55.965 56.287 -0.026 0.000 0.943 33 K CB 0.404 32.877 32.500 -0.045 0.000 0.950 33 K HN -0.049 nan 8.250 nan 0.000 0.485 34 D N 0.449 120.808 120.400 -0.068 0.000 2.708 34 D HA -0.224 4.417 4.640 0.000 0.000 0.236 34 D C -0.724 175.511 176.300 -0.109 0.000 1.146 34 D CA 0.798 54.736 54.000 -0.103 0.000 0.662 34 D CB -1.379 39.301 40.800 -0.200 0.000 1.059 34 D HN 0.503 nan 8.370 nan 0.000 0.428 35 F N 1.088 120.886 119.950 -0.254 0.000 2.569 35 F HA 0.148 4.675 4.527 0.000 0.000 0.395 35 F C -1.406 174.187 175.800 -0.346 0.000 1.028 35 F CA -1.371 56.404 58.000 -0.376 0.000 1.158 35 F CB 0.327 39.170 39.000 -0.261 0.000 1.023 35 F HN -0.135 nan 8.300 nan 0.000 0.547 36 P HA -0.018 nan 4.420 nan 0.000 0.266 36 P C 0.393 177.511 177.300 -0.304 0.000 1.195 36 P CA 0.106 62.880 63.100 -0.543 0.000 0.768 36 P CB 0.577 31.898 31.700 -0.632 0.000 0.838 37 E N 1.708 121.824 120.200 -0.140 0.000 2.274 37 E HA -0.140 4.211 4.350 0.000 0.000 0.194 37 E C 0.911 177.485 176.600 -0.045 0.000 0.996 37 E CA 1.041 57.407 56.400 -0.057 0.000 0.840 37 E CB -0.176 29.499 29.700 -0.043 0.000 0.772 37 E HN 0.614 nan 8.360 nan 0.000 0.491 38 D N -0.692 119.672 120.400 -0.060 0.000 2.328 38 D HA -0.060 4.580 4.640 0.000 0.000 0.226 38 D C 0.146 176.323 176.300 -0.205 0.000 1.066 38 D CA -0.114 53.824 54.000 -0.103 0.000 0.861 38 D CB -0.364 40.365 40.800 -0.118 0.000 0.912 38 D HN -0.064 nan 8.370 nan 0.000 0.521 39 F N 0.824 120.607 119.950 -0.277 0.000 2.470 39 F HA 0.451 4.978 4.527 0.000 0.000 0.329 39 F C 0.871 176.674 175.800 0.006 0.000 1.072 39 F CA -1.160 56.682 58.000 -0.263 0.000 0.989 39 F CB 1.653 40.245 39.000 -0.679 0.000 1.193 39 F HN -0.311 nan 8.300 nan 0.000 0.481 40 R N 1.612 122.280 120.500 0.279 0.000 2.637 40 R HA 0.455 4.795 4.340 0.000 0.000 0.291 40 R C -2.148 174.365 176.300 0.356 0.000 0.963 40 R CA -0.644 55.607 56.100 0.252 0.000 0.901 40 R CB 1.288 31.584 30.300 -0.006 0.000 1.160 40 R HN 0.722 nan 8.270 nan 0.000 0.457 41 Y N 5.226 125.579 120.300 0.089 0.000 2.331 41 Y HA 0.440 4.990 4.550 0.000 0.000 0.334 41 Y C -1.085 174.691 175.900 -0.206 0.000 0.960 41 Y CA -1.001 57.023 58.100 -0.126 0.000 1.130 41 Y CB 1.294 39.507 38.460 -0.412 0.000 1.164 41 Y HN 0.419 nan 8.280 nan 0.000 0.458 42 I N 8.064 128.197 120.570 -0.728 0.000 2.354 42 I HA 0.200 4.370 4.170 0.000 0.000 0.286 42 I C -0.792 175.085 176.117 -0.399 0.000 1.007 42 I CA -0.816 60.073 61.300 -0.686 0.000 1.167 42 I CB 1.092 38.621 38.000 -0.786 0.000 1.320 42 I HN 0.510 nan 8.210 nan 0.000 0.458 43 L N 6.681 127.969 121.223 0.109 0.000 2.326 43 L HA 0.712 5.052 4.340 0.000 0.000 0.278 43 L C 0.087 177.175 176.870 0.363 0.000 1.092 43 L CA 0.227 55.275 54.840 0.346 0.000 0.810 43 L CB 1.155 43.585 42.059 0.619 0.000 1.153 43 L HN 0.722 nan 8.230 nan 0.000 0.439 44 A N 4.898 127.860 122.820 0.236 0.000 2.380 44 A HA 0.570 4.890 4.320 0.000 0.000 0.315 44 A C 0.417 178.056 177.584 0.092 0.000 1.101 44 A CA -0.625 51.536 52.037 0.206 0.000 0.771 44 A CB 1.084 20.156 19.000 0.119 0.000 1.287 44 A HN 0.854 nan 8.150 nan 0.000 0.436 45 L N -0.262 120.957 121.223 -0.007 0.000 2.418 45 L HA 0.104 4.444 4.340 0.000 0.000 0.218 45 L C 1.063 177.893 176.870 -0.067 0.000 1.125 45 L CA 0.913 55.670 54.840 -0.140 0.000 0.835 45 L CB 0.067 41.952 42.059 -0.291 0.000 0.953 45 L HN 0.714 nan 8.230 nan 0.000 0.454 46 Q N -0.723 119.064 119.800 -0.022 0.000 2.416 46 Q HA 0.140 4.481 4.340 0.000 0.000 0.281 46 Q C -0.305 175.711 176.000 0.027 0.000 1.067 46 Q CA -0.310 55.496 55.803 0.005 0.000 0.809 46 Q CB 2.415 31.155 28.738 0.004 0.000 1.418 46 Q HN -0.025 nan 8.270 nan 0.000 0.411 47 E N 0.892 121.115 120.200 0.040 0.000 2.152 47 E HA -0.051 4.299 4.350 0.000 0.000 0.192 47 E C 1.479 178.102 176.600 0.039 0.000 0.983 47 E CA 1.395 57.824 56.400 0.048 0.000 0.818 47 E CB 0.039 29.774 29.700 0.060 0.000 0.758 47 E HN 0.651 nan 8.360 nan 0.000 0.467 48 A N 0.140 122.983 122.820 0.038 0.000 2.019 48 A HA -0.198 4.122 4.320 0.000 0.000 0.219 48 A C 2.189 179.788 177.584 0.026 0.000 1.164 48 A CA 1.287 53.347 52.037 0.039 0.000 0.644 48 A CB -0.767 18.266 19.000 0.054 0.000 0.805 48 A HN 0.406 nan 8.150 nan 0.000 0.449 49 C N -1.669 117.642 119.300 0.019 0.000 2.486 49 C HA 0.023 4.483 4.460 0.000 0.000 0.279 49 C C 2.644 177.632 174.990 -0.005 0.000 1.302 49 C CA 0.592 59.611 59.018 0.002 0.000 1.720 49 C CB -1.169 26.572 27.740 0.003 0.000 2.030 49 C HN 0.443 nan 8.230 nan 0.000 0.490 50 V N 1.217 121.142 119.914 0.019 0.000 2.231 50 V HA -0.238 3.882 4.120 0.000 0.000 0.248 50 V C 2.460 178.531 176.094 -0.038 0.000 1.054 50 V CA 2.409 64.725 62.300 0.026 0.000 1.015 50 V CB -0.795 31.060 31.823 0.054 0.000 0.638 50 V HN 0.459 nan 8.190 nan 0.000 0.444 51 V N 0.583 120.484 119.914 -0.021 0.000 2.427 51 V HA -0.119 4.001 4.120 0.000 0.000 0.248 51 V C 2.585 178.641 176.094 -0.064 0.000 1.051 51 V CA 1.955 64.234 62.300 -0.035 0.000 1.048 51 V CB -1.269 30.563 31.823 0.015 0.000 0.666 51 V HN 0.628 nan 8.190 nan 0.000 0.456 52 G N 0.014 108.784 108.800 -0.051 0.000 2.418 52 G HA2 -0.205 3.755 3.960 0.000 0.000 0.217 52 G HA3 -0.205 3.755 3.960 0.000 0.000 0.217 52 G C 1.569 176.342 174.900 -0.212 0.000 1.158 52 G CA 0.983 46.029 45.100 -0.090 0.000 0.771 52 G HN 0.493 nan 8.290 nan 0.000 0.545 53 I N 1.309 121.751 120.570 -0.213 0.000 2.202 53 I HA -0.101 4.070 4.170 0.000 0.000 0.242 53 I C 3.270 179.054 176.117 -0.556 0.000 1.091 53 I CA 0.922 62.056 61.300 -0.277 0.000 1.368 53 I CB -0.199 37.713 38.000 -0.147 0.000 1.058 53 I HN 0.222 nan 8.210 nan 0.000 0.410 54 A N 0.283 122.624 122.820 -0.798 0.000 1.933 54 A HA -0.285 4.035 4.320 0.000 0.000 0.218 54 A C 2.051 179.405 177.584 -0.383 0.000 1.175 54 A CA 2.236 53.641 52.037 -1.054 0.000 0.628 54 A CB -0.601 17.990 19.000 -0.681 0.000 0.814 54 A HN 0.440 nan 8.150 nan 0.000 0.444 55 D N -0.442 119.835 120.400 -0.204 0.000 2.097 55 D HA -0.046 4.594 4.640 0.000 0.000 0.197 55 D C 2.086 178.349 176.300 -0.062 0.000 0.984 55 D CA 1.633 55.611 54.000 -0.037 0.000 0.826 55 D CB -0.646 40.216 40.800 0.103 0.000 0.973 55 D HN 0.278 nan 8.370 nan 0.000 0.460 56 G N -0.937 107.757 108.800 -0.177 0.000 2.440 56 G HA2 -0.318 3.642 3.960 0.000 0.000 0.218 56 G HA3 -0.318 3.642 3.960 0.000 0.000 0.218 56 G C 1.685 176.455 174.900 -0.217 0.000 1.154 56 G CA 0.990 45.918 45.100 -0.287 0.000 0.767 56 G HN 0.374 nan 8.290 nan 0.000 0.552 57 Y N 1.877 122.015 120.300 -0.270 0.000 2.145 57 Y HA 0.029 4.579 4.550 0.000 0.000 0.286 57 Y C 2.968 178.815 175.900 -0.088 0.000 1.145 57 Y CA 1.506 59.507 58.100 -0.164 0.000 1.148 57 Y CB -0.396 37.953 38.460 -0.186 0.000 0.981 57 Y HN 0.245 nan 8.280 nan 0.000 0.507 58 A N 0.074 122.906 122.820 0.020 0.000 1.908 58 A HA -0.251 4.069 4.320 0.000 0.000 0.218 58 A C 2.107 179.672 177.584 -0.031 0.000 1.181 58 A CA 2.016 54.063 52.037 0.017 0.000 0.627 58 A CB -0.713 18.331 19.000 0.073 0.000 0.818 58 A HN 0.675 nan 8.150 nan 0.000 0.445 59 Q N -0.925 118.850 119.800 -0.042 0.000 2.079 59 Q HA -0.044 4.296 4.340 0.000 0.000 0.200 59 Q C 2.433 178.445 176.000 0.021 0.000 0.974 59 Q CA 1.234 57.048 55.803 0.019 0.000 0.840 59 Q CB -0.311 28.448 28.738 0.034 0.000 0.898 59 Q HN 0.684 nan 8.270 nan 0.000 0.430 60 A N 1.091 123.838 122.820 -0.121 0.000 1.929 60 A HA -0.141 4.179 4.320 0.000 0.000 0.216 60 A C 2.228 179.754 177.584 -0.096 0.000 1.176 60 A CA 1.627 53.625 52.037 -0.065 0.000 0.628 60 A CB -0.405 18.501 19.000 -0.158 0.000 0.816 60 A HN 0.420 nan 8.150 nan 0.000 0.444 61 S N -1.410 114.162 115.700 -0.214 0.000 2.470 61 S HA 0.008 4.478 4.470 0.000 0.000 0.225 61 S C 0.940 175.488 174.600 -0.088 0.000 1.006 61 S CA 0.570 58.642 58.200 -0.214 0.000 0.934 61 S CB -0.303 62.653 63.200 -0.407 0.000 0.778 61 S HN 0.535 nan 8.310 nan 0.000 0.517 62 R N 0.469 120.943 120.500 -0.042 0.000 3.525 62 R HA -0.116 4.225 4.340 0.000 0.000 0.276 62 R C -0.918 175.391 176.300 0.014 0.000 1.116 62 R CA 0.907 57.013 56.100 0.009 0.000 0.745 62 R CB -2.065 28.248 30.300 0.021 0.000 1.185 62 R HN 0.539 nan 8.270 nan 0.000 0.454 63 K N -0.086 120.320 120.400 0.010 0.000 2.477 63 K HA 0.437 4.757 4.320 0.000 0.000 0.255 63 K C -2.609 174.045 176.600 0.090 0.000 0.952 63 K CA -2.226 54.090 56.287 0.047 0.000 0.826 63 K CB 2.355 34.880 32.500 0.043 0.000 1.331 63 K HN -0.250 nan 8.250 nan 0.000 0.437 64 P HA 0.004 nan 4.420 nan 0.000 0.266 64 P C -1.298 176.144 177.300 0.238 0.000 1.195 64 P CA -0.125 63.067 63.100 0.154 0.000 0.768 64 P CB 0.670 32.455 31.700 0.142 0.000 0.838 65 A N 3.094 126.067 122.820 0.256 0.000 2.337 65 A HA 0.642 4.962 4.320 0.000 0.000 0.329 65 A C -1.200 176.600 177.584 0.359 0.000 1.146 65 A CA -0.592 51.662 52.037 0.361 0.000 0.800 65 A CB 0.551 19.705 19.000 0.256 0.000 1.220 65 A HN 0.490 nan 8.150 nan 0.000 0.472 66 F N 2.226 122.361 119.950 0.308 0.000 2.436 66 F HA 0.760 5.287 4.527 0.000 0.000 0.340 66 F C -0.691 175.282 175.800 0.289 0.000 1.113 66 F CA -0.760 57.393 58.000 0.255 0.000 1.022 66 F CB 0.983 40.132 39.000 0.248 0.000 1.128 66 F HN 0.426 nan 8.300 nan 0.000 0.466 67 I N 4.719 125.037 120.570 -0.420 0.000 2.608 67 I HA 0.336 4.506 4.170 0.000 0.000 0.295 67 I C -1.250 174.631 176.117 -0.393 0.000 1.049 67 I CA -0.868 60.318 61.300 -0.189 0.000 1.063 67 I CB 2.276 40.236 38.000 -0.067 0.000 1.248 67 I HN 0.560 nan 8.210 nan 0.000 0.424 68 N N 6.062 124.722 118.700 -0.067 0.000 2.461 68 N HA 0.680 5.420 4.740 0.000 0.000 0.284 68 N C -1.703 173.871 175.510 0.107 0.000 1.049 68 N CA -0.317 52.747 53.050 0.024 0.000 0.889 68 N CB 1.240 39.904 38.487 0.296 0.000 1.365 68 N HN 0.482 nan 8.380 nan 0.000 0.499 69 L N 1.036 122.313 121.223 0.090 0.000 2.257 69 L HA 0.496 4.836 4.340 0.000 0.000 0.257 69 L C -0.694 176.289 176.870 0.189 0.000 1.033 69 L CA -1.186 53.738 54.840 0.140 0.000 0.835 69 L CB 1.631 43.763 42.059 0.122 0.000 1.398 69 L HN 0.573 nan 8.230 nan 0.000 0.429 70 H N 0.303 119.426 119.070 0.090 0.000 2.661 70 H HA 0.406 4.962 4.556 0.000 0.000 0.290 70 H C 0.170 175.550 175.328 0.088 0.000 1.082 70 H CA 0.702 56.804 56.048 0.089 0.000 1.234 70 H CB 0.798 30.605 29.762 0.075 0.000 1.387 70 H HN 0.687 nan 8.280 nan 0.000 0.476 71 S N 2.775 118.355 115.700 -0.199 0.000 3.236 71 S HA -0.359 4.112 4.470 0.000 0.000 0.629 71 S C 1.727 176.302 174.600 -0.041 0.000 2.873 71 S CA 1.503 59.594 58.200 -0.181 0.000 3.603 71 S CB -1.361 61.605 63.200 -0.391 0.000 0.287 71 S HN 1.082 nan 8.310 nan 0.000 1.458 72 A N 0.402 123.190 122.820 -0.053 0.000 1.897 72 A HA 0.352 4.673 4.320 0.000 0.000 0.215 72 A C 2.619 180.195 177.584 -0.013 0.000 1.181 72 A CA 2.447 54.470 52.037 -0.022 0.000 0.620 72 A CB -1.498 17.484 19.000 -0.030 0.000 0.821 72 A HN 1.713 nan 8.150 nan 0.000 0.443 73 A N -0.286 122.526 122.820 -0.012 0.000 1.865 73 A HA 0.080 4.400 4.320 0.000 0.000 0.217 73 A C 2.442 180.056 177.584 0.051 0.000 1.191 73 A CA 2.093 54.147 52.037 0.028 0.000 0.623 73 A CB -1.494 17.544 19.000 0.064 0.000 0.826 73 A HN 0.734 nan 8.150 nan 0.000 0.444 74 G N -1.421 107.426 108.800 0.079 0.000 2.418 74 G HA2 -0.134 3.827 3.960 0.000 0.000 0.217 74 G HA3 -0.134 3.827 3.960 0.000 0.000 0.217 74 G C 1.588 176.533 174.900 0.076 0.000 1.158 74 G CA 1.677 46.840 45.100 0.104 0.000 0.771 74 G HN 0.438 nan 8.290 nan 0.000 0.545 75 T N 1.019 115.615 114.554 0.071 0.000 2.674 75 T HA -0.040 4.310 4.350 0.000 0.000 0.265 75 T C 2.516 177.208 174.700 -0.014 0.000 1.039 75 T CA 1.526 63.656 62.100 0.050 0.000 1.150 75 T CB -0.744 68.156 68.868 0.053 0.000 0.864 75 T HN 0.354 nan 8.240 nan 0.000 0.427 76 G N 2.345 111.132 108.800 -0.021 0.000 2.529 76 G HA2 -0.328 3.632 3.960 0.000 0.000 0.219 76 G HA3 -0.328 3.632 3.960 0.000 0.000 0.219 76 G C 1.611 176.505 174.900 -0.008 0.000 1.177 76 G CA 1.055 46.137 45.100 -0.029 0.000 0.773 76 G HN 0.394 nan 8.290 nan 0.000 0.573 77 N N 1.125 119.833 118.700 0.014 0.000 2.258 77 N HA -0.076 4.665 4.740 0.000 0.000 0.187 77 N C 2.069 177.595 175.510 0.026 0.000 1.012 77 N CA 1.227 54.292 53.050 0.026 0.000 0.870 77 N CB -0.308 38.202 38.487 0.039 0.000 0.977 77 N HN 0.376 nan 8.380 nan 0.000 0.434 78 A N -0.472 122.360 122.820 0.021 0.000 2.275 78 A HA 0.153 4.473 4.320 0.000 0.000 0.212 78 A C 1.879 179.467 177.584 0.006 0.000 1.201 78 A CA 0.067 52.117 52.037 0.023 0.000 0.843 78 A CB -0.020 19.001 19.000 0.035 0.000 0.873 78 A HN 0.030 nan 8.150 nan 0.000 0.492 79 M N -0.373 119.217 119.600 -0.017 0.000 2.229 79 M HA -0.064 4.416 4.480 0.000 0.000 0.264 79 M C 2.190 178.471 176.300 -0.030 0.000 1.063 79 M CA 1.439 56.713 55.300 -0.043 0.000 1.114 79 M CB -1.570 30.989 32.600 -0.069 0.000 1.387 79 M HN 0.469 nan 8.290 nan 0.000 0.420 80 G N 0.012 108.804 108.800 -0.014 0.000 2.418 80 G HA2 -0.073 3.888 3.960 0.000 0.000 0.217 80 G HA3 -0.073 3.888 3.960 0.000 0.000 0.217 80 G C 1.667 176.565 174.900 -0.003 0.000 1.158 80 G CA 1.108 46.200 45.100 -0.014 0.000 0.771 80 G HN 0.528 nan 8.290 nan 0.000 0.545 81 A N 0.608 123.441 122.820 0.021 0.000 1.940 81 A HA 0.061 4.381 4.320 0.000 0.000 0.219 81 A C 2.410 180.024 177.584 0.051 0.000 1.176 81 A CA 1.240 53.307 52.037 0.050 0.000 0.631 81 A CB -0.388 18.647 19.000 0.058 0.000 0.814 81 A HN 0.365 nan 8.150 nan 0.000 0.446 82 L N 0.345 121.589 121.223 0.035 0.000 2.131 82 L HA -0.174 4.166 4.340 0.000 0.000 0.210 82 L C 2.997 179.914 176.870 0.079 0.000 1.092 82 L CA 1.542 56.415 54.840 0.055 0.000 0.759 82 L CB -0.479 41.591 42.059 0.019 0.000 0.903 82 L HN 0.658 nan 8.230 nan 0.000 0.435 83 S N -0.660 115.058 115.700 0.031 0.000 2.402 83 S HA -0.134 4.336 4.470 0.000 0.000 0.229 83 S C 1.761 176.402 174.600 0.068 0.000 1.021 83 S CA 0.897 59.123 58.200 0.044 0.000 0.974 83 S CB -0.317 62.869 63.200 -0.024 0.000 0.800 83 S HN 0.399 nan 8.310 nan 0.000 0.484 84 N N 2.682 121.381 118.700 -0.003 0.000 2.058 84 N HA 0.056 4.796 4.740 0.000 0.000 0.191 84 N C 2.085 177.569 175.510 -0.044 0.000 1.037 84 N CA 1.643 54.638 53.050 -0.091 0.000 0.848 84 N CB -1.066 37.312 38.487 -0.183 0.000 1.021 84 N HN 0.597 nan 8.380 nan 0.000 0.422 85 A N 1.204 124.049 122.820 0.042 0.000 1.978 85 A HA -0.181 4.139 4.320 0.000 0.000 0.220 85 A C 2.080 179.729 177.584 0.108 0.000 1.170 85 A CA 1.156 53.241 52.037 0.081 0.000 0.636 85 A CB -1.072 17.998 19.000 0.117 0.000 0.810 85 A HN 0.621 nan 8.150 nan 0.000 0.448 86 W N 0.895 122.176 121.300 -0.031 0.000 2.355 86 W HA -0.182 4.478 4.660 0.000 0.000 0.309 86 W C 1.417 177.870 176.519 -0.110 0.000 1.206 86 W CA 1.919 59.247 57.345 -0.029 0.000 1.284 86 W CB -0.340 29.104 29.460 -0.027 0.000 1.145 86 W HN 0.401 nan 8.180 nan 0.000 0.502 87 N N 0.338 118.997 118.700 -0.069 0.000 2.331 87 N HA -0.143 4.598 4.740 0.000 0.000 0.180 87 N C 1.824 177.118 175.510 -0.361 0.000 1.019 87 N CA 1.973 54.876 53.050 -0.244 0.000 0.881 87 N CB -0.570 37.866 38.487 -0.085 0.000 0.972 87 N HN 0.122 nan 8.380 nan 0.000 0.435 88 S N -1.101 114.461 115.700 -0.230 0.000 2.593 88 S HA 0.036 4.506 4.470 0.000 0.000 0.217 88 S C -0.110 174.437 174.600 -0.089 0.000 0.966 88 S CA -0.185 57.929 58.200 -0.143 0.000 0.914 88 S CB -0.626 62.546 63.200 -0.047 0.000 0.776 88 S HN 0.420 nan 8.310 nan 0.000 0.523 89 H N 0.676 119.682 119.070 -0.107 0.000 2.756 89 H HA -0.126 4.430 4.556 0.000 0.000 0.315 89 H C -0.667 174.644 175.328 -0.029 0.000 1.210 89 H CA 0.377 56.355 56.048 -0.116 0.000 1.150 89 H CB -2.104 27.592 29.762 -0.110 0.000 1.463 89 H HN 0.333 nan 8.280 nan 0.000 0.427 90 S N 2.362 118.118 115.700 0.094 0.000 2.474 90 S HA 0.142 4.613 4.470 0.000 0.000 0.276 90 S C -1.861 172.802 174.600 0.105 0.000 1.227 90 S CA -1.072 57.188 58.200 0.098 0.000 1.050 90 S CB 0.964 64.219 63.200 0.092 0.000 0.939 90 S HN 0.208 nan 8.310 nan 0.000 0.490 91 P HA 0.195 nan 4.420 nan 0.000 0.260 91 P C -1.053 176.318 177.300 0.119 0.000 1.651 91 P CA -0.005 63.158 63.100 0.104 0.000 1.139 91 P CB -0.222 31.532 31.700 0.090 0.000 1.756 92 L N 4.498 125.797 121.223 0.125 0.000 2.305 92 L HA 0.485 4.825 4.340 0.000 0.000 0.284 92 L C 0.623 177.568 176.870 0.125 0.000 1.013 92 L CA -0.958 53.953 54.840 0.117 0.000 0.819 92 L CB 1.721 43.838 42.059 0.098 0.000 1.227 92 L HN 0.143 nan 8.230 nan 0.000 0.417 93 I N 4.353 124.989 120.570 0.111 0.000 2.287 93 I HA 0.201 4.371 4.170 0.000 0.000 0.290 93 I C -0.306 175.750 176.117 -0.101 0.000 1.069 93 I CA -0.466 60.880 61.300 0.077 0.000 1.237 93 I CB 1.245 39.356 38.000 0.185 0.000 1.418 93 I HN 0.227 nan 8.210 nan 0.000 0.481 94 V N 5.369 125.267 119.914 -0.027 0.000 2.333 94 V HA 0.318 4.438 4.120 0.000 0.000 0.274 94 V C 0.505 176.494 176.094 -0.175 0.000 1.028 94 V CA -0.494 61.771 62.300 -0.058 0.000 0.851 94 V CB 1.162 33.083 31.823 0.162 0.000 1.000 94 V HN 0.804 nan 8.190 nan 0.000 0.456 95 T N 2.142 116.493 114.554 -0.339 0.000 2.859 95 T HA 0.867 5.217 4.350 0.000 0.000 0.281 95 T C -0.318 174.235 174.700 -0.246 0.000 1.005 95 T CA -0.549 61.342 62.100 -0.348 0.000 1.025 95 T CB 2.009 70.662 68.868 -0.358 0.000 0.977 95 T HN 0.966 nan 8.240 nan 0.000 0.458 96 A N 1.845 124.498 122.820 -0.277 0.000 2.374 96 A HA 0.834 5.154 4.320 0.000 0.000 0.305 96 A C 0.365 177.924 177.584 -0.042 0.000 1.053 96 A CA -0.709 51.269 52.037 -0.098 0.000 0.726 96 A CB 1.192 20.180 19.000 -0.019 0.000 1.229 96 A HN 1.318 nan 8.150 nan 0.000 0.431 97 G N 0.528 109.372 108.800 0.074 0.000 2.442 97 G HA2 0.471 4.432 3.960 0.000 0.000 0.249 97 G HA3 0.471 4.432 3.960 0.000 0.000 0.249 97 G C -0.192 174.763 174.900 0.092 0.000 1.263 97 G CA 0.038 45.232 45.100 0.158 0.000 0.846 97 G HN 0.875 nan 8.290 nan 0.000 0.555 98 Q N 0.282 120.146 119.800 0.107 0.000 2.359 98 Q HA 0.347 4.687 4.340 0.000 0.000 0.275 98 Q C 0.116 176.172 176.000 0.095 0.000 1.082 98 Q CA -0.722 55.106 55.803 0.043 0.000 0.849 98 Q CB 1.222 29.941 28.738 -0.032 0.000 1.377 98 Q HN 0.495 nan 8.270 nan 0.000 0.452 99 Q N 0.462 120.285 119.800 0.038 0.000 2.474 99 Q HA 0.066 4.406 4.340 0.000 0.000 0.256 99 Q C -0.459 175.382 176.000 -0.265 0.000 1.048 99 Q CA 0.330 56.137 55.803 0.005 0.000 0.922 99 Q CB 0.672 29.415 28.738 0.008 0.000 1.288 99 Q HN 0.840 nan 8.270 nan 0.000 0.484 100 T N 1.070 115.265 114.554 -0.598 0.000 2.933 100 T HA -0.042 4.308 4.350 0.000 0.000 0.306 100 T C 1.398 175.925 174.700 -0.290 0.000 1.045 100 T CA 0.250 61.950 62.100 -0.667 0.000 1.143 100 T CB 0.316 68.807 68.868 -0.628 0.000 1.003 100 T HN 0.486 nan 8.240 nan 0.000 0.540 101 R N 3.162 123.522 120.500 -0.233 0.000 2.139 101 R HA -0.148 4.193 4.340 0.000 0.000 0.243 101 R C 2.578 178.815 176.300 -0.106 0.000 1.145 101 R CA 1.503 57.515 56.100 -0.147 0.000 0.976 101 R CB -0.503 29.721 30.300 -0.127 0.000 0.866 101 R HN 0.758 nan 8.270 nan 0.000 0.449 102 A N 0.311 123.071 122.820 -0.101 0.000 2.019 102 A HA -0.084 4.237 4.320 0.000 0.000 0.219 102 A C 1.841 179.396 177.584 -0.049 0.000 1.164 102 A CA 1.154 53.154 52.037 -0.062 0.000 0.644 102 A CB -0.100 18.872 19.000 -0.047 0.000 0.805 102 A HN 0.201 nan 8.150 nan 0.000 0.449 103 M N -1.116 118.450 119.600 -0.058 0.000 2.346 103 M HA 0.302 4.782 4.480 0.000 0.000 0.280 103 M C 1.107 177.387 176.300 -0.035 0.000 1.075 103 M CA 0.092 55.373 55.300 -0.032 0.000 0.989 103 M CB 0.167 32.761 32.600 -0.010 0.000 1.447 103 M HN 0.329 nan 8.290 nan 0.000 0.511 104 I N 0.182 120.720 120.570 -0.053 0.000 2.315 104 I HA -0.160 4.010 4.170 0.000 0.000 0.248 104 I C 2.406 178.500 176.117 -0.038 0.000 1.117 104 I CA 1.404 62.674 61.300 -0.050 0.000 1.404 104 I CB -0.422 37.537 38.000 -0.069 0.000 1.071 104 I HN 0.366 nan 8.210 nan 0.000 0.419 105 G N 0.708 109.486 108.800 -0.036 0.000 2.402 105 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 105 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 105 G C 1.628 176.515 174.900 -0.021 0.000 1.162 105 G CA 0.997 46.080 45.100 -0.029 0.000 0.777 105 G HN 0.386 nan 8.290 nan 0.000 0.539 106 V N -1.824 118.080 119.914 -0.017 0.000 3.380 106 V HA 0.189 4.309 4.120 0.000 0.000 0.268 106 V C 0.585 176.674 176.094 -0.007 0.000 1.168 106 V CA 0.835 63.129 62.300 -0.010 0.000 1.156 106 V CB -0.968 30.853 31.823 -0.005 0.000 0.785 106 V HN 0.540 nan 8.190 nan 0.000 0.487 107 E N 0.009 120.202 120.200 -0.011 0.000 2.240 107 E HA -0.201 4.149 4.350 0.000 0.000 0.194 107 E C 0.596 177.197 176.600 0.001 0.000 1.385 107 E CA 0.220 56.615 56.400 -0.008 0.000 0.686 107 E CB -1.624 28.070 29.700 -0.011 0.000 1.125 107 E HN 1.031 nan 8.360 nan 0.000 0.359 108 A N 1.066 123.890 122.820 0.007 0.000 2.386 108 A HA 0.346 4.666 4.320 0.000 0.000 0.246 108 A C 0.469 178.069 177.584 0.027 0.000 1.089 108 A CA -0.357 51.693 52.037 0.021 0.000 0.790 108 A CB 0.405 19.424 19.000 0.032 0.000 1.042 108 A HN 0.391 nan 8.150 nan 0.000 0.497 109 L N 0.506 121.751 121.223 0.037 0.000 2.559 109 L HA 0.102 4.442 4.340 0.000 0.000 0.282 109 L C 0.709 177.609 176.870 0.050 0.000 1.232 109 L CA 1.206 56.070 54.840 0.041 0.000 0.885 109 L CB -0.432 41.657 42.059 0.051 0.000 1.131 109 L HN 0.710 nan 8.230 nan 0.000 0.498 110 L N 2.315 123.556 121.223 0.030 0.000 4.496 110 L HA -0.238 4.102 4.340 0.000 0.000 0.419 110 L C 0.273 177.133 176.870 -0.017 0.000 1.139 110 L CA 0.528 55.364 54.840 -0.005 0.000 0.975 110 L CB -2.377 39.696 42.059 0.023 0.000 2.099 110 L HN 0.802 nan 8.230 nan 0.000 0.818 111 T N 0.354 114.906 114.554 -0.003 0.000 2.817 111 T HA 0.075 4.426 4.350 0.000 0.000 0.295 111 T C 0.728 175.412 174.700 -0.026 0.000 0.958 111 T CA -0.061 62.031 62.100 -0.014 0.000 1.157 111 T CB 0.593 69.453 68.868 -0.014 0.000 0.898 111 T HN 0.165 nan 8.240 nan 0.000 0.536 112 N N 4.233 122.915 118.700 -0.030 0.000 2.508 112 N HA 0.088 4.828 4.740 0.000 0.000 0.253 112 N C -0.445 175.050 175.510 -0.025 0.000 1.145 112 N CA -0.200 52.837 53.050 -0.022 0.000 0.973 112 N CB 0.094 38.581 38.487 0.001 0.000 1.305 112 N HN 0.294 nan 8.380 nan 0.000 0.506 113 V N 3.172 123.069 119.914 -0.028 0.000 2.572 113 V HA 0.006 4.126 4.120 0.000 0.000 0.291 113 V C 0.854 176.926 176.094 -0.037 0.000 1.039 113 V CA -0.268 62.013 62.300 -0.033 0.000 1.055 113 V CB 0.682 32.487 31.823 -0.030 0.000 0.969 113 V HN 0.703 nan 8.190 nan 0.000 0.482 114 D N 3.381 123.755 120.400 -0.043 0.000 2.686 114 D HA -0.251 4.389 4.640 0.000 0.000 0.235 114 D C 1.313 177.585 176.300 -0.046 0.000 1.160 114 D CA 0.918 54.889 54.000 -0.049 0.000 0.645 114 D CB -0.570 40.202 40.800 -0.048 0.000 1.039 114 D HN 0.817 nan 8.370 nan 0.000 0.423 115 A N 0.560 123.363 122.820 -0.029 0.000 1.917 115 A HA -0.037 4.283 4.320 0.000 0.000 0.219 115 A C 2.520 180.129 177.584 0.042 0.000 1.182 115 A CA 2.756 54.810 52.037 0.028 0.000 0.633 115 A CB -0.782 18.258 19.000 0.066 0.000 0.819 115 A HN 0.826 nan 8.150 nan 0.000 0.448 116 A N -0.364 122.458 122.820 0.004 0.000 2.019 116 A HA -0.172 4.148 4.320 0.000 0.000 0.219 116 A C 1.833 179.365 177.584 -0.086 0.000 1.164 116 A CA 1.766 53.795 52.037 -0.012 0.000 0.644 116 A CB -0.545 18.409 19.000 -0.077 0.000 0.805 116 A HN 0.554 nan 8.150 nan 0.000 0.449 117 N N -0.535 118.109 118.700 -0.093 0.000 2.409 117 N HA -0.047 4.693 4.740 0.000 0.000 0.179 117 N C 1.471 176.891 175.510 -0.150 0.000 1.032 117 N CA 0.810 53.794 53.050 -0.110 0.000 0.898 117 N CB -0.384 38.053 38.487 -0.083 0.000 0.971 117 N HN 0.425 nan 8.380 nan 0.000 0.441 118 L N 2.504 123.621 121.223 -0.178 0.000 1.970 118 L HA -0.056 4.284 4.340 0.000 0.000 0.212 118 L C -0.961 175.743 176.870 -0.277 0.000 1.071 118 L CA 2.054 56.768 54.840 -0.210 0.000 0.751 118 L CB -1.374 40.561 42.059 -0.208 0.000 0.889 118 L HN 0.121 nan 8.230 nan 0.000 0.432 119 P HA -0.108 nan 4.420 nan 0.000 0.233 119 P C -0.031 177.105 177.300 -0.274 0.000 1.167 119 P CA 0.571 63.435 63.100 -0.394 0.000 0.770 119 P CB -0.122 31.207 31.700 -0.618 0.000 0.837 120 R N 1.869 122.227 120.500 -0.237 0.000 2.590 120 R HA 0.136 4.476 4.340 0.000 0.000 0.274 120 R C -1.389 174.782 176.300 -0.214 0.000 1.061 120 R CA -0.977 54.996 56.100 -0.211 0.000 1.081 120 R CB -0.030 30.174 30.300 -0.159 0.000 0.984 120 R HN 0.117 nan 8.270 nan 0.000 0.448 121 P HA 0.094 nan 4.420 nan 0.000 0.254 121 P C 0.099 177.037 177.300 -0.603 0.000 1.494 121 P CA 0.320 63.213 63.100 -0.345 0.000 0.961 121 P CB 0.319 31.837 31.700 -0.303 0.000 1.493 122 L N -0.267 120.655 121.223 -0.502 0.000 2.628 122 L HA 0.165 4.505 4.340 0.000 0.000 0.229 122 L C 0.797 177.483 176.870 -0.307 0.000 1.137 122 L CA -0.207 54.279 54.840 -0.591 0.000 0.909 122 L CB 0.247 42.136 42.059 -0.285 0.000 1.137 122 L HN -0.111 nan 8.230 nan 0.000 0.470 123 V N -5.142 114.645 119.914 -0.211 0.000 2.914 123 V HA 0.381 4.501 4.120 0.000 0.000 0.314 123 V C 0.641 176.923 176.094 0.312 0.000 1.084 123 V CA -1.024 61.373 62.300 0.163 0.000 0.963 123 V CB 2.099 33.995 31.823 0.122 0.000 1.025 123 V HN 0.028 nan 8.190 nan 0.000 0.432 124 K N 0.764 121.466 120.400 0.502 0.000 2.155 124 K HA 0.122 4.442 4.320 0.000 0.000 0.203 124 K C -0.250 176.602 176.600 0.419 0.000 1.052 124 K CA 1.469 58.039 56.287 0.472 0.000 0.948 124 K CB 0.194 32.912 32.500 0.364 0.000 0.728 124 K HN 0.743 nan 8.250 nan 0.000 0.448 125 W N -0.249 121.146 121.300 0.160 0.000 3.372 125 W HA 0.339 4.999 4.660 -0.000 0.000 0.315 125 W C -1.711 174.904 176.519 0.159 0.000 1.223 125 W CA -0.583 56.837 57.345 0.125 0.000 1.202 125 W CB 2.038 31.552 29.460 0.091 0.000 1.367 125 W HN -0.353 nan 8.180 nan 0.000 0.531 126 S N 4.794 120.196 115.700 -0.496 0.000 2.649 126 S HA 0.653 5.123 4.470 0.000 0.000 0.274 126 S C -2.328 171.950 174.600 -0.537 0.000 1.176 126 S CA -0.350 57.660 58.200 -0.317 0.000 0.988 126 S CB 0.549 63.697 63.200 -0.086 0.000 1.071 126 S HN 0.478 nan 8.310 nan 0.000 0.478 127 Y N 2.369 122.271 120.300 -0.663 0.000 2.552 127 Y HA 0.553 5.103 4.550 0.000 0.000 0.337 127 Y C -1.279 174.432 175.900 -0.314 0.000 1.094 127 Y CA -0.763 56.960 58.100 -0.628 0.000 1.028 127 Y CB 1.688 39.457 38.460 -1.152 0.000 1.321 127 Y HN 0.694 nan 8.280 nan 0.000 0.456 128 E N 6.643 126.351 120.200 -0.820 0.000 2.216 128 E HA 0.498 4.848 4.350 0.000 0.000 0.260 128 E C -2.809 173.240 176.600 -0.919 0.000 0.880 128 E CA -2.477 53.534 56.400 -0.648 0.000 0.765 128 E CB 1.551 31.029 29.700 -0.371 0.000 1.174 128 E HN 0.311 nan 8.360 nan 0.000 0.417 129 P HA -0.006 nan 4.420 nan 0.000 0.267 129 P C -0.269 176.898 177.300 -0.222 0.000 1.200 129 P CA 0.203 63.132 63.100 -0.284 0.000 0.772 129 P CB 0.979 32.638 31.700 -0.067 0.000 0.855 130 A N 1.581 124.343 122.820 -0.096 0.000 2.208 130 A HA 0.233 4.553 4.320 0.000 0.000 0.209 130 A C 0.670 178.221 177.584 -0.055 0.000 1.161 130 A CA 1.123 53.119 52.037 -0.069 0.000 0.782 130 A CB -0.472 18.523 19.000 -0.008 0.000 0.816 130 A HN 0.623 nan 8.150 nan 0.000 0.477 131 S N -4.025 111.646 115.700 -0.048 0.000 2.587 131 S HA 0.610 5.080 4.470 0.000 0.000 0.269 131 S C 0.633 175.193 174.600 -0.067 0.000 1.154 131 S CA -0.014 58.156 58.200 -0.051 0.000 0.824 131 S CB 0.968 64.154 63.200 -0.024 0.000 1.118 131 S HN 0.941 nan 8.310 nan 0.000 0.462 132 A N 1.286 124.059 122.820 -0.078 0.000 1.902 132 A HA 0.306 4.626 4.320 0.000 0.000 0.217 132 A C 2.284 179.831 177.584 -0.063 0.000 1.181 132 A CA 1.939 53.912 52.037 -0.106 0.000 0.623 132 A CB -1.568 17.382 19.000 -0.083 0.000 0.818 132 A HN 1.711 nan 8.150 nan 0.000 0.443 133 A N -0.622 122.186 122.820 -0.020 0.000 2.070 133 A HA -0.153 4.167 4.320 0.000 0.000 0.220 133 A C 1.935 179.536 177.584 0.029 0.000 1.159 133 A CA 1.616 53.659 52.037 0.011 0.000 0.656 133 A CB -0.433 18.575 19.000 0.013 0.000 0.800 133 A HN 0.663 nan 8.150 nan 0.000 0.453 134 E N -0.146 120.075 120.200 0.034 0.000 2.358 134 E HA -0.044 4.306 4.350 0.000 0.000 0.195 134 E C 1.626 178.302 176.600 0.128 0.000 1.010 134 E CA 0.665 57.124 56.400 0.099 0.000 0.856 134 E CB -0.050 29.727 29.700 0.129 0.000 0.795 134 E HN 0.369 nan 8.360 nan 0.000 0.504 135 V N 1.700 121.632 119.914 0.029 0.000 2.287 135 V HA -0.213 3.907 4.120 0.000 0.000 0.248 135 V C -0.802 175.334 176.094 0.070 0.000 1.053 135 V CA 2.154 64.442 62.300 -0.020 0.000 1.027 135 V CB -1.306 30.362 31.823 -0.258 0.000 0.646 135 V HN 0.300 nan 8.190 nan 0.000 0.447 136 P HA -0.179 nan 4.420 nan 0.000 0.216 136 P C 1.683 179.075 177.300 0.153 0.000 1.150 136 P CA 1.565 64.754 63.100 0.149 0.000 0.837 136 P CB -0.205 31.593 31.700 0.162 0.000 0.786 137 H N 0.028 119.138 119.070 0.067 0.000 2.293 137 H HA -0.093 4.464 4.556 0.001 0.000 0.300 137 H C 1.807 177.176 175.328 0.069 0.000 1.082 137 H CA 1.766 57.845 56.048 0.051 0.000 1.308 137 H CB -0.363 29.422 29.762 0.038 0.000 1.375 137 H HN -0.044 nan 8.280 nan 0.000 0.495 138 A N 1.213 124.124 122.820 0.151 0.000 1.892 138 A HA -0.260 4.060 4.320 0.000 0.000 0.218 138 A C 2.501 180.180 177.584 0.160 0.000 1.188 138 A CA 2.260 54.438 52.037 0.236 0.000 0.631 138 A CB -0.811 18.457 19.000 0.447 0.000 0.822 138 A HN 0.526 nan 8.150 nan 0.000 0.447 139 M N -0.409 119.269 119.600 0.131 0.000 2.159 139 M HA -0.066 4.414 4.480 0.000 0.000 0.263 139 M C 2.261 178.567 176.300 0.010 0.000 1.063 139 M CA 2.043 57.416 55.300 0.121 0.000 1.110 139 M CB -0.579 32.112 32.600 0.152 0.000 1.374 139 M HN 0.377 nan 8.290 nan 0.000 0.411 140 S N -0.133 115.538 115.700 -0.048 0.000 2.359 140 S HA -0.178 4.292 4.470 0.000 0.000 0.224 140 S C 2.030 176.504 174.600 -0.209 0.000 1.035 140 S CA 1.698 59.828 58.200 -0.117 0.000 1.018 140 S CB -0.169 62.997 63.200 -0.057 0.000 0.876 140 S HN 0.606 nan 8.310 nan 0.000 0.448 141 R N 0.723 121.011 120.500 -0.352 0.000 2.091 141 R HA -0.047 4.293 4.340 0.000 0.000 0.238 141 R C 2.650 178.591 176.300 -0.598 0.000 1.136 141 R CA 1.368 57.114 56.100 -0.589 0.000 0.959 141 R CB -0.653 29.046 30.300 -1.002 0.000 0.856 141 R HN 0.483 nan 8.270 nan 0.000 0.437 142 A N 1.337 123.941 122.820 -0.360 0.000 1.883 142 A HA -0.184 4.136 4.320 0.000 0.000 0.217 142 A C 2.194 179.758 177.584 -0.034 0.000 1.186 142 A CA 1.451 53.474 52.037 -0.024 0.000 0.624 142 A CB -0.587 18.561 19.000 0.246 0.000 0.822 142 A HN 0.204 nan 8.150 nan 0.000 0.444 143 I N -1.222 119.290 120.570 -0.096 0.000 2.179 143 I HA -0.262 3.908 4.170 0.000 0.000 0.242 143 I C 2.496 178.507 176.117 -0.176 0.000 1.088 143 I CA 1.421 62.640 61.300 -0.136 0.000 1.357 143 I CB -0.501 37.342 38.000 -0.263 0.000 1.051 143 I HN 0.405 nan 8.210 nan 0.000 0.409 144 H N -0.224 118.798 119.070 -0.080 0.000 2.395 144 H HA -0.024 4.532 4.556 0.000 0.000 0.299 144 H C 2.340 177.608 175.328 -0.101 0.000 1.070 144 H CA 1.124 57.117 56.048 -0.092 0.000 1.356 144 H CB -0.139 29.545 29.762 -0.130 0.000 1.401 144 H HN 0.236 nan 8.280 nan 0.000 0.524 145 M N 0.426 119.992 119.600 -0.057 0.000 2.117 145 M HA -0.063 4.418 4.480 0.000 0.000 0.262 145 M C 2.586 178.907 176.300 0.034 0.000 1.065 145 M CA 1.064 56.327 55.300 -0.061 0.000 1.114 145 M CB -1.019 31.481 32.600 -0.166 0.000 1.361 145 M HN 0.212 nan 8.290 nan 0.000 0.408 146 A N -0.449 122.406 122.820 0.058 0.000 1.940 146 A HA -0.124 4.197 4.320 0.000 0.000 0.219 146 A C 2.410 180.033 177.584 0.066 0.000 1.176 146 A CA 2.257 54.348 52.037 0.090 0.000 0.631 146 A CB -0.627 18.437 19.000 0.106 0.000 0.814 146 A HN 0.529 nan 8.150 nan 0.000 0.446 147 S N -1.031 114.702 115.700 0.056 0.000 2.470 147 S HA 0.242 4.713 4.470 0.000 0.000 0.222 147 S C 0.816 175.440 174.600 0.040 0.000 1.024 147 S CA -0.038 58.197 58.200 0.058 0.000 0.931 147 S CB -0.141 63.104 63.200 0.076 0.000 0.791 147 S HN 0.521 nan 8.310 nan 0.000 0.513 148 M N 2.084 121.702 119.600 0.031 0.000 2.238 148 M HA 0.292 4.773 4.480 0.000 0.000 0.347 148 M C 0.308 176.588 176.300 -0.034 0.000 1.173 148 M CA -0.393 54.907 55.300 0.001 0.000 1.147 148 M CB 0.464 33.059 32.600 -0.010 0.000 1.547 148 M HN 0.173 nan 8.290 nan 0.000 0.455 149 A N 5.521 128.308 122.820 -0.055 0.000 2.511 149 A HA 0.373 4.693 4.320 0.000 0.000 0.242 149 A C -2.225 175.287 177.584 -0.120 0.000 1.069 149 A CA -1.090 50.883 52.037 -0.108 0.000 0.763 149 A CB -0.737 18.205 19.000 -0.097 0.000 1.001 149 A HN 0.516 nan 8.150 nan 0.000 0.498 150 P HA 0.146 nan 4.420 nan 0.000 0.282 150 P C -0.586 176.547 177.300 -0.279 0.000 1.262 150 P CA -0.084 62.785 63.100 -0.385 0.000 0.773 150 P CB 0.636 32.016 31.700 -0.534 0.000 0.879 151 Q N 1.168 120.834 119.800 -0.224 0.000 2.454 151 Q HA 0.533 4.873 4.340 0.000 0.000 0.247 151 Q C 0.670 176.678 176.000 0.014 0.000 1.028 151 Q CA 0.312 56.084 55.803 -0.051 0.000 0.910 151 Q CB 0.590 29.330 28.738 0.004 0.000 1.276 151 Q HN 0.745 nan 8.270 nan 0.000 0.489 152 G N 1.122 109.962 108.800 0.068 0.000 2.356 152 G HA2 0.276 4.236 3.960 0.000 0.000 0.294 152 G HA3 0.276 4.236 3.960 0.000 0.000 0.294 152 G C -3.100 171.908 174.900 0.180 0.000 1.423 152 G CA -0.917 44.249 45.100 0.110 0.000 0.806 152 G HN 0.375 nan 8.290 nan 0.000 0.527 153 P HA 0.462 nan 4.420 nan 0.000 0.275 153 P C -0.002 177.465 177.300 0.278 0.000 1.227 153 P CA -0.131 63.110 63.100 0.235 0.000 0.781 153 P CB 1.589 33.427 31.700 0.230 0.000 0.906 154 V N 0.690 120.762 119.914 0.264 0.000 3.102 154 V HA 0.682 4.802 4.120 0.000 0.000 0.312 154 V C -1.533 174.759 176.094 0.330 0.000 1.135 154 V CA -1.104 61.398 62.300 0.337 0.000 1.022 154 V CB 2.245 34.307 31.823 0.398 0.000 1.056 154 V HN 0.518 nan 8.190 nan 0.000 0.436 155 Y N 2.055 122.448 120.300 0.154 0.000 2.433 155 Y HA 0.819 5.370 4.550 0.000 0.000 0.337 155 Y C -1.523 174.381 175.900 0.007 0.000 1.026 155 Y CA -1.071 57.056 58.100 0.044 0.000 1.037 155 Y CB 2.092 40.541 38.460 -0.018 0.000 1.245 155 Y HN 0.902 nan 8.280 nan 0.000 0.443 156 L N 5.320 126.254 121.223 -0.482 0.000 2.406 156 L HA 0.605 4.945 4.340 0.000 0.000 0.272 156 L C -1.180 175.320 176.870 -0.618 0.000 0.980 156 L CA -0.229 54.396 54.840 -0.359 0.000 0.831 156 L CB 1.953 43.988 42.059 -0.039 0.000 1.253 156 L HN 0.571 nan 8.230 nan 0.000 0.406 157 S N 4.367 119.768 115.700 -0.499 0.000 2.442 157 S HA 0.807 5.277 4.470 0.000 0.000 0.297 157 S C -1.024 173.445 174.600 -0.219 0.000 1.131 157 S CA -0.447 57.538 58.200 -0.358 0.000 1.092 157 S CB 0.875 63.943 63.200 -0.220 0.000 0.998 157 S HN 0.443 nan 8.310 nan 0.000 0.478 158 V N 7.699 127.528 119.914 -0.142 0.000 2.409 158 V HA 0.417 4.537 4.120 0.000 0.000 0.290 158 V C -2.424 173.628 176.094 -0.071 0.000 1.017 158 V CA -2.094 60.118 62.300 -0.148 0.000 0.841 158 V CB 1.445 33.171 31.823 -0.163 0.000 1.003 158 V HN 0.726 nan 8.190 nan 0.000 0.426 159 P HA -0.044 nan 4.420 nan 0.000 0.262 159 P C 0.300 177.567 177.300 -0.056 0.000 1.182 159 P CA 0.194 63.221 63.100 -0.121 0.000 0.761 159 P CB 0.160 31.748 31.700 -0.186 0.000 0.795 160 Y N 3.373 123.737 120.300 0.106 0.000 2.421 160 Y HA -0.160 4.390 4.550 0.000 0.000 0.292 160 Y C 1.466 177.512 175.900 0.244 0.000 1.136 160 Y CA 1.308 59.576 58.100 0.279 0.000 1.255 160 Y CB -1.353 37.273 38.460 0.278 0.000 0.991 160 Y HN 0.297 nan 8.280 nan 0.000 0.552 161 D N -0.336 120.041 120.400 -0.039 0.000 2.371 161 D HA -0.157 4.483 4.640 0.000 0.000 0.221 161 D C 0.707 177.027 176.300 0.034 0.000 0.986 161 D CA 0.887 54.916 54.000 0.048 0.000 0.899 161 D CB -0.365 40.365 40.800 -0.117 0.000 0.902 161 D HN 0.372 nan 8.370 nan 0.000 0.530 162 D N 0.547 120.888 120.400 -0.097 0.000 2.178 162 D HA -0.112 4.528 4.640 0.000 0.000 0.202 162 D C 1.649 177.890 176.300 -0.099 0.000 0.974 162 D CA 0.673 54.553 54.000 -0.200 0.000 0.841 162 D CB -0.631 39.904 40.800 -0.442 0.000 0.953 162 D HN 0.443 nan 8.370 nan 0.000 0.478 163 W N 1.389 122.800 121.300 0.185 0.000 2.363 163 W HA -0.087 4.573 4.660 0.001 0.000 0.296 163 W C 1.751 178.405 176.519 0.224 0.000 1.212 163 W CA 0.424 57.920 57.345 0.251 0.000 1.260 163 W CB -0.045 29.629 29.460 0.356 0.000 1.131 163 W HN -0.106 nan 8.180 nan 0.000 0.530 164 D N -0.109 120.511 120.400 0.368 0.000 2.347 164 D HA -0.042 4.598 4.640 0.000 0.000 0.213 164 D C 0.988 177.387 176.300 0.164 0.000 0.985 164 D CA 0.809 54.950 54.000 0.235 0.000 0.879 164 D CB -0.167 40.743 40.800 0.182 0.000 0.919 164 D HN -0.049 nan 8.370 nan 0.000 0.526 165 K N 1.490 121.972 120.400 0.137 0.000 2.230 165 K HA 0.064 4.384 4.320 0.000 0.000 0.253 165 K C -0.008 176.650 176.600 0.097 0.000 1.008 165 K CA -0.286 56.053 56.287 0.087 0.000 0.910 165 K CB 0.319 32.845 32.500 0.042 0.000 0.994 165 K HN -0.082 nan 8.250 nan 0.000 0.495 166 D N 0.535 120.979 120.400 0.074 0.000 2.425 166 D HA 0.134 4.774 4.640 0.000 0.000 0.247 166 D C -0.164 176.183 176.300 0.078 0.000 1.147 166 D CA 0.276 54.322 54.000 0.076 0.000 0.879 166 D CB 0.609 41.442 40.800 0.056 0.000 1.179 166 D HN 0.442 nan 8.370 nan 0.000 0.456 167 A N 2.245 125.124 122.820 0.099 0.000 2.316 167 A HA 0.218 4.538 4.320 0.000 0.000 0.284 167 A C 0.175 177.805 177.584 0.077 0.000 1.115 167 A CA -0.633 51.464 52.037 0.100 0.000 0.812 167 A CB 0.520 19.606 19.000 0.143 0.000 1.064 167 A HN 0.470 nan 8.150 nan 0.000 0.489 168 D N 2.160 122.597 120.400 0.061 0.000 2.401 168 D HA 0.179 4.820 4.640 0.000 0.000 0.254 168 D C -1.522 174.810 176.300 0.053 0.000 1.192 168 D CA -1.544 52.483 54.000 0.045 0.000 0.885 168 D CB 1.036 41.852 40.800 0.028 0.000 1.147 168 D HN 0.134 nan 8.370 nan 0.000 0.478 169 P HA -0.139 nan 4.420 nan 0.000 0.218 169 P C 1.065 178.428 177.300 0.104 0.000 1.146 169 P CA 0.880 64.026 63.100 0.076 0.000 0.813 169 P CB 0.281 32.018 31.700 0.063 0.000 0.778 170 Q N -0.924 118.913 119.800 0.062 0.000 2.436 170 Q HA 0.010 4.350 4.340 0.000 0.000 0.209 170 Q C 1.888 177.812 176.000 -0.127 0.000 0.965 170 Q CA 0.833 56.645 55.803 0.015 0.000 0.910 170 Q CB -0.744 28.033 28.738 0.065 0.000 0.980 170 Q HN 0.263 nan 8.270 nan 0.000 0.491 171 S N 0.583 116.223 115.700 -0.099 0.000 2.493 171 S HA -0.140 4.330 4.470 0.000 0.000 0.243 171 S C 1.546 175.844 174.600 -0.503 0.000 0.991 171 S CA 0.869 58.967 58.200 -0.170 0.000 0.957 171 S CB -0.415 62.754 63.200 -0.050 0.000 0.756 171 S HN 0.601 nan 8.310 nan 0.000 0.521 172 H N 0.526 119.243 119.070 -0.589 0.000 2.456 172 H HA -0.055 4.501 4.556 0.000 0.000 0.296 172 H C 1.448 176.328 175.328 -0.747 0.000 1.079 172 H CA 1.352 56.791 56.048 -1.014 0.000 1.322 172 H CB -0.593 28.877 29.762 -0.488 0.000 1.388 172 H HN 0.493 nan 8.280 nan 0.000 0.538 173 H N 1.199 119.729 119.070 -0.900 0.000 2.456 173 H HA -0.033 4.523 4.556 0.000 0.000 0.296 173 H C 2.598 177.775 175.328 -0.253 0.000 1.079 173 H CA 1.111 56.855 56.048 -0.507 0.000 1.322 173 H CB 0.190 29.698 29.762 -0.424 0.000 1.388 173 H HN 0.393 nan 8.280 nan 0.000 0.538 174 L N -0.279 120.841 121.223 -0.172 0.000 2.083 174 L HA -0.166 4.174 4.340 0.000 0.000 0.209 174 L C 2.333 179.267 176.870 0.107 0.000 1.083 174 L CA 0.679 55.508 54.840 -0.019 0.000 0.752 174 L CB -0.590 41.468 42.059 -0.002 0.000 0.899 174 L HN 0.071 nan 8.230 nan 0.000 0.433 175 F N 0.482 120.475 119.950 0.071 0.000 2.065 175 F HA -0.253 4.275 4.527 0.001 0.000 0.298 175 F C 1.797 177.610 175.800 0.022 0.000 1.112 175 F CA 1.153 59.187 58.000 0.057 0.000 1.212 175 F CB -0.709 38.335 39.000 0.073 0.000 0.975 175 F HN 0.141 nan 8.300 nan 0.000 0.476 176 D N -0.309 120.216 120.400 0.209 0.000 2.559 176 D HA 0.085 4.726 4.640 0.000 0.000 0.234 176 D C 0.189 176.431 176.300 -0.096 0.000 1.226 176 D CA -0.060 53.965 54.000 0.043 0.000 0.830 176 D CB -0.022 40.850 40.800 0.121 0.000 1.028 176 D HN 0.098 nan 8.370 nan 0.000 0.492 177 R N 0.564 121.057 120.500 -0.012 0.000 2.449 177 R HA 0.168 4.508 4.340 0.000 0.000 0.296 177 R C -0.359 175.855 176.300 -0.144 0.000 1.047 177 R CA 0.088 56.175 56.100 -0.022 0.000 1.018 177 R CB 0.294 30.617 30.300 0.039 0.000 0.962 177 R HN 0.114 nan 8.270 nan 0.000 0.428 178 H N 0.776 119.859 119.070 0.021 0.000 2.504 178 H HA 0.277 4.833 4.556 0.000 0.000 0.322 178 H C -0.591 174.689 175.328 -0.081 0.000 1.055 178 H CA -0.533 55.522 56.048 0.012 0.000 1.231 178 H CB 1.428 31.201 29.762 0.020 0.000 1.417 178 H HN 0.178 nan 8.280 nan 0.000 0.472 179 V N 2.588 122.489 119.914 -0.021 0.000 2.448 179 V HA 0.382 4.502 4.120 0.000 0.000 0.295 179 V C -0.004 176.091 176.094 0.003 0.000 1.025 179 V CA -0.656 61.588 62.300 -0.093 0.000 0.859 179 V CB 1.705 33.363 31.823 -0.275 0.000 0.988 179 V HN 0.738 nan 8.190 nan 0.000 0.431 180 S N 2.479 118.175 115.700 -0.006 0.000 2.473 180 S HA 0.550 5.020 4.470 0.000 0.000 0.307 180 S C 0.470 175.062 174.600 -0.012 0.000 1.094 180 S CA -0.055 58.148 58.200 0.005 0.000 1.070 180 S CB 1.595 64.798 63.200 0.004 0.000 1.019 180 S HN 0.952 nan 8.310 nan 0.000 0.480 181 S N 2.340 118.035 115.700 -0.009 0.000 2.754 181 S HA 0.204 4.674 4.470 0.000 0.000 0.247 181 S C 0.237 174.826 174.600 -0.018 0.000 1.031 181 S CA -0.442 57.746 58.200 -0.020 0.000 1.014 181 S CB 0.351 63.535 63.200 -0.027 0.000 0.918 181 S HN 0.511 nan 8.310 nan 0.000 0.519 182 S N 2.763 118.457 115.700 -0.011 0.000 3.530 182 S HA 0.449 4.919 4.470 0.000 0.000 0.279 182 S C 0.139 174.732 174.600 -0.013 0.000 1.280 182 S CA -0.398 57.796 58.200 -0.010 0.000 0.946 182 S CB -1.025 62.173 63.200 -0.003 0.000 1.501 182 S HN 0.653 nan 8.310 nan 0.000 0.498 183 V N 3.030 122.934 119.914 -0.016 0.000 2.864 183 V HA 0.983 5.104 4.120 0.000 0.000 0.314 183 V C -0.694 175.391 176.094 -0.016 0.000 1.073 183 V CA -1.352 60.938 62.300 -0.017 0.000 0.956 183 V CB 1.878 33.689 31.823 -0.020 0.000 1.023 183 V HN 0.752 nan 8.190 nan 0.000 0.435 184 R N 2.427 122.919 120.500 -0.014 0.000 2.855 184 R HA 0.781 5.121 4.340 0.000 0.000 0.266 184 R C -0.940 175.353 176.300 -0.012 0.000 1.034 184 R CA -1.057 55.035 56.100 -0.012 0.000 0.944 184 R CB 0.682 30.977 30.300 -0.009 0.000 1.219 184 R HN 0.803 nan 8.270 nan 0.000 0.474 185 L N 2.177 123.394 121.223 -0.011 0.000 2.525 185 L HA 0.130 4.471 4.340 0.000 0.000 0.278 185 L C -0.324 176.541 176.870 -0.009 0.000 1.218 185 L CA 0.541 55.374 54.840 -0.011 0.000 0.878 185 L CB -0.130 41.923 42.059 -0.010 0.000 1.127 185 L HN 0.923 nan 8.230 nan 0.000 0.492 186 N N 2.143 120.838 118.700 -0.009 0.000 2.265 186 N HA -0.110 4.630 4.740 0.000 0.000 0.231 186 N C 0.449 175.955 175.510 -0.006 0.000 1.266 186 N CA 0.355 53.400 53.050 -0.007 0.000 0.862 186 N CB 0.247 38.730 38.487 -0.008 0.000 1.100 186 N HN 0.616 nan 8.380 nan 0.000 0.439 187 D N -0.106 120.292 120.400 -0.005 0.000 2.104 187 D HA -0.229 4.411 4.640 0.000 0.000 0.194 187 D C 1.539 177.838 176.300 -0.003 0.000 0.994 187 D CA 1.463 55.461 54.000 -0.004 0.000 0.830 187 D CB -0.326 40.472 40.800 -0.003 0.000 0.959 187 D HN 0.788 nan 8.370 nan 0.000 0.452 188 Q N 0.199 119.997 119.800 -0.003 0.000 2.020 188 Q HA -0.155 4.186 4.340 0.000 0.000 0.202 188 Q C 1.435 177.433 176.000 -0.002 0.000 0.982 188 Q CA 1.567 57.368 55.803 -0.003 0.000 0.838 188 Q CB 0.178 28.914 28.738 -0.003 0.000 0.899 188 Q HN 0.141 nan 8.270 nan 0.000 0.423 189 D N 0.204 120.601 120.400 -0.004 0.000 2.178 189 D HA -0.135 4.505 4.640 0.000 0.000 0.202 189 D C 1.871 178.169 176.300 -0.003 0.000 0.974 189 D CA 0.495 54.492 54.000 -0.004 0.000 0.841 189 D CB -0.158 40.639 40.800 -0.006 0.000 0.953 189 D HN 0.208 nan 8.370 nan 0.000 0.478 190 L N 1.414 122.635 121.223 -0.003 0.000 2.046 190 L HA -0.157 4.183 4.340 0.000 0.000 0.208 190 L C 1.380 178.250 176.870 0.000 0.000 1.077 190 L CA 1.846 56.685 54.840 -0.002 0.000 0.747 190 L CB -0.543 41.515 42.059 -0.002 0.000 0.896 190 L HN -0.176 nan 8.230 nan 0.000 0.432 191 D N -0.307 120.093 120.400 0.000 0.000 2.117 191 D HA -0.192 4.448 4.640 0.000 0.000 0.197 191 D C 2.343 178.645 176.300 0.002 0.000 0.987 191 D CA 1.782 55.783 54.000 0.002 0.000 0.829 191 D CB -0.146 40.655 40.800 0.001 0.000 0.961 191 D HN 0.440 nan 8.370 nan 0.000 0.460 192 I N 0.420 120.991 120.570 0.001 0.000 2.208 192 I HA -0.256 3.915 4.170 0.000 0.000 0.245 192 I C 2.325 178.443 176.117 0.003 0.000 1.097 192 I CA 0.539 61.840 61.300 0.002 0.000 1.363 192 I CB -0.117 37.884 38.000 0.000 0.000 1.051 192 I HN 0.028 nan 8.210 nan 0.000 0.413 193 L N 0.375 121.599 121.223 0.002 0.000 2.046 193 L HA -0.135 4.206 4.340 0.000 0.000 0.208 193 L C 2.373 179.247 176.870 0.006 0.000 1.077 193 L CA 1.765 56.607 54.840 0.003 0.000 0.747 193 L CB -0.528 41.531 42.059 0.000 0.000 0.896 193 L HN -0.021 nan 8.230 nan 0.000 0.432 194 V N -0.261 119.656 119.914 0.006 0.000 2.343 194 V HA -0.303 3.817 4.120 0.000 0.000 0.247 194 V C 2.618 178.717 176.094 0.009 0.000 1.051 194 V CA 2.062 64.367 62.300 0.008 0.000 1.036 194 V CB -0.669 31.158 31.823 0.007 0.000 0.654 194 V HN 0.455 nan 8.190 nan 0.000 0.451 195 K N 0.094 120.499 120.400 0.008 0.000 2.057 195 K HA -0.119 4.202 4.320 0.000 0.000 0.207 195 K C 2.319 178.925 176.600 0.011 0.000 1.049 195 K CA 1.423 57.715 56.287 0.009 0.000 0.931 195 K CB -0.441 32.063 32.500 0.007 0.000 0.714 195 K HN 0.477 nan 8.250 nan 0.000 0.440 196 A N 1.306 124.132 122.820 0.010 0.000 1.883 196 A HA -0.166 4.154 4.320 0.000 0.000 0.217 196 A C 2.096 179.689 177.584 0.017 0.000 1.186 196 A CA 1.401 53.446 52.037 0.013 0.000 0.624 196 A CB -0.693 18.314 19.000 0.011 0.000 0.822 196 A HN 0.174 nan 8.150 nan 0.000 0.444 197 L N -0.461 120.772 121.223 0.016 0.000 2.093 197 L HA -0.166 4.174 4.340 0.000 0.000 0.208 197 L C 2.215 179.097 176.870 0.020 0.000 1.085 197 L CA 1.081 55.932 54.840 0.019 0.000 0.755 197 L CB -0.666 41.403 42.059 0.016 0.000 0.904 197 L HN 0.348 nan 8.230 nan 0.000 0.435 198 N N -0.316 118.395 118.700 0.018 0.000 2.244 198 N HA -0.119 4.622 4.740 0.000 0.000 0.183 198 N C 1.908 177.430 175.510 0.019 0.000 1.016 198 N CA 1.307 54.367 53.050 0.018 0.000 0.866 198 N CB -0.137 38.359 38.487 0.015 0.000 0.980 198 N HN 0.165 nan 8.380 nan 0.000 0.430 199 S N 0.188 115.899 115.700 0.018 0.000 2.527 199 S HA 0.195 4.665 4.470 0.000 0.000 0.222 199 S C 0.843 175.457 174.600 0.023 0.000 0.985 199 S CA -0.194 58.017 58.200 0.018 0.000 0.921 199 S CB 0.035 63.245 63.200 0.016 0.000 0.772 199 S HN 0.409 nan 8.310 nan 0.000 0.529 200 A N 1.899 124.736 122.820 0.028 0.000 2.477 200 A HA 0.373 4.693 4.320 0.000 0.000 0.246 200 A C 1.318 178.926 177.584 0.040 0.000 1.078 200 A CA -0.037 52.022 52.037 0.037 0.000 0.770 200 A CB 0.240 19.266 19.000 0.043 0.000 1.011 200 A HN 0.383 nan 8.150 nan 0.000 0.494 201 S N 1.220 116.946 115.700 0.042 0.000 2.458 201 S HA 0.034 4.504 4.470 0.000 0.000 0.223 201 S C 0.631 175.266 174.600 0.057 0.000 1.019 201 S CA 0.795 59.019 58.200 0.040 0.000 0.937 201 S CB -0.099 63.118 63.200 0.028 0.000 0.788 201 S HN 0.760 nan 8.310 nan 0.000 0.511 202 N N 1.973 120.725 118.700 0.086 0.000 2.697 202 N HA 0.376 5.116 4.740 0.000 0.000 0.253 202 N C -3.277 172.389 175.510 0.260 0.000 1.604 202 N CA -1.599 51.543 53.050 0.154 0.000 0.772 202 N CB 1.377 39.922 38.487 0.097 0.000 1.267 202 N HN 0.144 nan 8.380 nan 0.000 0.510 203 P HA 0.380 nan 4.420 nan 0.000 0.276 203 P C -1.014 176.274 177.300 -0.020 0.000 1.244 203 P CA -0.372 62.780 63.100 0.088 0.000 0.801 203 P CB 1.558 33.285 31.700 0.045 0.000 1.006 204 A N 2.362 125.111 122.820 -0.119 0.000 2.413 204 A HA 0.776 5.096 4.320 0.000 0.000 0.307 204 A C -0.699 176.846 177.584 -0.066 0.000 1.087 204 A CA -0.858 51.044 52.037 -0.226 0.000 0.750 204 A CB 0.966 19.693 19.000 -0.455 0.000 1.296 204 A HN 0.445 nan 8.150 nan 0.000 0.423 205 I N 1.151 121.694 120.570 -0.044 0.000 2.465 205 I HA 0.500 4.670 4.170 0.000 0.000 0.291 205 I C -0.958 175.179 176.117 0.034 0.000 1.014 205 I CA -0.911 60.375 61.300 -0.023 0.000 1.093 205 I CB 2.183 40.134 38.000 -0.082 0.000 1.267 205 I HN 0.298 nan 8.210 nan 0.000 0.431 206 V N 6.980 126.931 119.914 0.062 0.000 2.487 206 V HA 0.488 4.608 4.120 0.000 0.000 0.298 206 V C -0.237 175.901 176.094 0.073 0.000 1.028 206 V CA -0.530 61.827 62.300 0.095 0.000 0.860 206 V CB 1.827 33.736 31.823 0.143 0.000 0.991 206 V HN 0.467 nan 8.190 nan 0.000 0.427 207 L N 4.012 125.269 121.223 0.057 0.000 2.329 207 L HA 0.875 5.215 4.340 0.000 0.000 0.279 207 L C 0.729 177.648 176.870 0.083 0.000 1.014 207 L CA -0.268 54.614 54.840 0.070 0.000 0.814 207 L CB 1.959 44.066 42.059 0.080 0.000 1.257 207 L HN 0.766 nan 8.230 nan 0.000 0.424 208 G N 1.186 110.038 108.800 0.086 0.000 2.887 208 G HA2 0.524 4.484 3.960 0.000 0.000 0.277 208 G HA3 0.524 4.484 3.960 0.000 0.000 0.277 208 G C -2.153 172.808 174.900 0.102 0.000 1.346 208 G CA -0.894 44.258 45.100 0.086 0.000 1.058 208 G HN 0.403 nan 8.290 nan 0.000 0.535 209 P HA -0.022 nan 4.420 nan 0.000 0.219 209 P C 0.659 178.029 177.300 0.117 0.000 1.150 209 P CA 0.927 64.100 63.100 0.122 0.000 0.814 209 P CB 0.310 32.081 31.700 0.117 0.000 0.787 210 D N -0.195 120.273 120.400 0.114 0.000 2.264 210 D HA -0.074 4.566 4.640 0.000 0.000 0.208 210 D C 2.055 178.400 176.300 0.075 0.000 0.966 210 D CA 0.691 54.753 54.000 0.104 0.000 0.864 210 D CB -0.339 40.521 40.800 0.099 0.000 0.933 210 D HN 0.037 nan 8.370 nan 0.000 0.499 211 V N 1.321 121.281 119.914 0.077 0.000 2.255 211 V HA -0.261 3.859 4.120 0.000 0.000 0.247 211 V C 2.230 178.366 176.094 0.070 0.000 1.051 211 V CA 1.989 64.332 62.300 0.072 0.000 1.018 211 V CB -0.397 31.479 31.823 0.088 0.000 0.641 211 V HN 0.074 nan 8.190 nan 0.000 0.445 212 D N -0.070 120.379 120.400 0.081 0.000 2.117 212 D HA -0.115 4.525 4.640 0.000 0.000 0.198 212 D C 2.101 178.447 176.300 0.077 0.000 0.982 212 D CA 1.405 55.447 54.000 0.069 0.000 0.828 212 D CB -0.185 40.653 40.800 0.064 0.000 0.967 212 D HN 0.368 nan 8.370 nan 0.000 0.464 213 A N 0.164 123.041 122.820 0.095 0.000 1.972 213 A HA 0.051 4.371 4.320 0.000 0.000 0.219 213 A C 2.177 179.799 177.584 0.064 0.000 1.169 213 A CA 1.849 53.944 52.037 0.096 0.000 0.635 213 A CB -0.662 18.404 19.000 0.109 0.000 0.810 213 A HN 0.297 nan 8.150 nan 0.000 0.446 214 A N -1.151 121.699 122.820 0.051 0.000 2.251 214 A HA 0.246 4.566 4.320 0.000 0.000 0.209 214 A C 0.945 178.546 177.584 0.028 0.000 1.187 214 A CA 0.712 52.769 52.037 0.034 0.000 0.823 214 A CB -0.529 18.486 19.000 0.026 0.000 0.846 214 A HN 0.660 nan 8.150 nan 0.000 0.486 215 N N -1.734 116.986 118.700 0.032 0.000 2.716 215 N HA -0.233 4.508 4.740 0.000 0.000 0.250 215 N C 0.427 175.945 175.510 0.014 0.000 1.033 215 N CA 0.957 54.020 53.050 0.020 0.000 0.727 215 N CB -1.319 37.176 38.487 0.014 0.000 0.950 215 N HN 0.570 nan 8.380 nan 0.000 0.541 216 A N -0.626 122.208 122.820 0.023 0.000 2.379 216 A HA 0.223 4.543 4.320 0.000 0.000 0.236 216 A C 1.606 179.206 177.584 0.026 0.000 1.272 216 A CA 0.300 52.351 52.037 0.023 0.000 0.886 216 A CB -0.027 18.991 19.000 0.031 0.000 0.962 216 A HN 0.497 nan 8.150 nan 0.000 0.504 217 N N 1.647 120.355 118.700 0.012 0.000 2.069 217 N HA -0.163 4.577 4.740 0.000 0.000 0.191 217 N C 1.816 177.292 175.510 -0.058 0.000 1.031 217 N CA 1.880 54.925 53.050 -0.008 0.000 0.852 217 N CB -0.392 38.064 38.487 -0.051 0.000 1.018 217 N HN 0.460 nan 8.380 nan 0.000 0.423 218 A N 0.773 123.555 122.820 -0.063 0.000 1.930 218 A HA -0.130 4.190 4.320 0.000 0.000 0.217 218 A C 1.665 179.225 177.584 -0.039 0.000 1.175 218 A CA 1.511 53.503 52.037 -0.076 0.000 0.627 218 A CB -0.388 18.579 19.000 -0.055 0.000 0.815 218 A HN 0.136 nan 8.150 nan 0.000 0.443 219 D N -0.447 119.948 120.400 -0.008 0.000 2.117 219 D HA -0.104 4.536 4.640 0.000 0.000 0.198 219 D C 1.977 178.298 176.300 0.036 0.000 0.982 219 D CA 1.330 55.337 54.000 0.012 0.000 0.828 219 D CB -0.454 40.355 40.800 0.015 0.000 0.967 219 D HN 0.442 nan 8.370 nan 0.000 0.464 220 C N 0.378 119.716 119.300 0.063 0.000 2.432 220 C HA -0.037 4.423 4.460 0.000 0.000 0.280 220 C C 2.899 178.016 174.990 0.212 0.000 1.353 220 C CA 0.017 59.115 59.018 0.133 0.000 1.766 220 C CB -0.743 27.112 27.740 0.192 0.000 1.924 220 C HN 0.162 nan 8.230 nan 0.000 0.509 221 V N 0.700 120.665 119.914 0.086 0.000 2.358 221 V HA -0.293 3.827 4.120 0.000 0.000 0.246 221 V C 2.398 178.505 176.094 0.020 0.000 1.047 221 V CA 2.186 64.455 62.300 -0.052 0.000 1.035 221 V CB -0.630 30.986 31.823 -0.344 0.000 0.658 221 V HN 0.607 nan 8.190 nan 0.000 0.452 222 M N -0.584 119.030 119.600 0.023 0.000 2.077 222 M HA -0.170 4.310 4.480 0.000 0.000 0.261 222 M C 2.181 178.513 176.300 0.053 0.000 1.070 222 M CA 1.969 57.291 55.300 0.037 0.000 1.125 222 M CB -0.247 32.367 32.600 0.022 0.000 1.339 222 M HN 0.344 nan 8.290 nan 0.000 0.409 223 L N 0.943 122.198 121.223 0.052 0.000 2.021 223 L HA -0.198 4.142 4.340 0.000 0.000 0.215 223 L C 2.441 179.343 176.870 0.053 0.000 1.074 223 L CA 2.479 57.347 54.840 0.047 0.000 0.760 223 L CB -1.026 41.059 42.059 0.044 0.000 0.889 223 L HN 0.397 nan 8.230 nan 0.000 0.433 224 A N -1.260 121.605 122.820 0.075 0.000 1.930 224 A HA -0.192 4.128 4.320 0.000 0.000 0.217 224 A C 2.172 179.817 177.584 0.102 0.000 1.175 224 A CA 1.643 53.721 52.037 0.069 0.000 0.627 224 A CB -0.569 18.481 19.000 0.084 0.000 0.815 224 A HN 0.614 nan 8.150 nan 0.000 0.443 225 E N -0.388 119.889 120.200 0.127 0.000 2.152 225 E HA -0.166 4.184 4.350 0.000 0.000 0.192 225 E C 2.256 178.906 176.600 0.083 0.000 0.983 225 E CA 1.135 57.617 56.400 0.136 0.000 0.818 225 E CB -0.097 29.694 29.700 0.151 0.000 0.758 225 E HN 0.708 nan 8.360 nan 0.000 0.467 226 R N 0.388 120.926 120.500 0.063 0.000 2.127 226 R HA 0.046 4.386 4.340 0.000 0.000 0.217 226 R C 2.149 178.473 176.300 0.040 0.000 1.074 226 R CA 0.584 56.712 56.100 0.045 0.000 0.991 226 R CB -0.349 29.972 30.300 0.036 0.000 0.895 226 R HN 0.138 nan 8.270 nan 0.000 0.450 227 L N 1.241 122.488 121.223 0.040 0.000 2.395 227 L HA 0.061 4.401 4.340 0.000 0.000 0.218 227 L C 0.056 176.949 176.870 0.038 0.000 1.130 227 L CA 0.311 55.172 54.840 0.034 0.000 0.826 227 L CB -0.213 41.862 42.059 0.026 0.000 0.941 227 L HN 0.109 nan 8.230 nan 0.000 0.451 228 K N -0.057 120.372 120.400 0.048 0.000 3.244 228 K HA -0.165 4.155 4.320 0.000 0.000 0.270 228 K C -0.154 176.469 176.600 0.039 0.000 1.016 228 K CA 0.856 57.173 56.287 0.050 0.000 0.754 228 K CB -1.933 30.593 32.500 0.043 0.000 1.326 228 K HN 0.332 nan 8.250 nan 0.000 0.465 229 A N 1.105 123.940 122.820 0.024 0.000 2.342 229 A HA 0.688 5.008 4.320 0.000 0.000 0.323 229 A C -2.256 175.282 177.584 -0.076 0.000 1.125 229 A CA -1.525 50.503 52.037 -0.016 0.000 0.785 229 A CB 1.270 20.253 19.000 -0.027 0.000 1.221 229 A HN -0.020 nan 8.150 nan 0.000 0.463 230 P HA 0.337 nan 4.420 nan 0.000 0.275 230 P C -0.699 176.355 177.300 -0.410 0.000 1.228 230 P CA -0.047 62.886 63.100 -0.278 0.000 0.786 230 P CB 1.071 32.610 31.700 -0.268 0.000 0.927 231 V N 2.966 122.507 119.914 -0.623 0.000 2.487 231 V HA 0.387 4.508 4.120 0.000 0.000 0.298 231 V C -0.590 175.023 176.094 -0.801 0.000 1.028 231 V CA -0.324 61.598 62.300 -0.629 0.000 0.860 231 V CB 1.197 32.450 31.823 -0.949 0.000 0.991 231 V HN 0.562 nan 8.190 nan 0.000 0.427 232 W N 2.588 123.676 121.300 -0.353 0.000 2.647 232 W HA 0.746 5.407 4.660 0.000 0.000 0.353 232 W C -0.492 175.882 176.519 -0.243 0.000 1.080 232 W CA -0.952 56.168 57.345 -0.376 0.000 1.208 232 W CB 1.375 30.628 29.460 -0.345 0.000 1.396 232 W HN 0.286 nan 8.180 nan 0.000 0.573 233 V N 2.939 122.844 119.914 -0.016 0.000 2.407 233 V HA 0.559 4.679 4.120 0.000 0.000 0.278 233 V C 0.623 176.634 176.094 -0.138 0.000 1.037 233 V CA -1.240 61.028 62.300 -0.054 0.000 0.900 233 V CB 0.281 31.993 31.823 -0.185 0.000 0.983 233 V HN 0.695 nan 8.190 nan 0.000 0.459 234 A N 8.501 131.279 122.820 -0.071 0.000 2.507 234 A HA 0.411 4.731 4.320 0.000 0.000 0.235 234 A C -1.858 175.627 177.584 -0.164 0.000 1.070 234 A CA -0.671 51.308 52.037 -0.096 0.000 0.768 234 A CB -0.409 18.633 19.000 0.069 0.000 1.011 234 A HN 0.695 nan 8.150 nan 0.000 0.502 235 P HA 0.107 nan 4.420 nan 0.000 0.271 235 P C 0.008 177.248 177.300 -0.100 0.000 1.233 235 P CA 0.436 63.428 63.100 -0.180 0.000 0.789 235 P CB 0.397 32.007 31.700 -0.149 0.000 0.951 236 S N -2.057 113.582 115.700 -0.102 0.000 3.641 236 S HA -0.177 4.293 4.470 0.000 0.000 0.346 236 S C 0.601 175.201 174.600 0.001 0.000 1.074 236 S CA 0.708 58.884 58.200 -0.039 0.000 1.026 236 S CB -2.249 60.988 63.200 0.062 0.000 0.908 236 S HN 0.929 nan 8.310 nan 0.000 0.479 237 A N 0.938 123.713 122.820 -0.076 0.000 2.526 237 A HA 0.413 4.733 4.320 0.000 0.000 0.267 237 A C -0.501 177.297 177.584 0.358 0.000 1.095 237 A CA -0.711 51.379 52.037 0.088 0.000 0.775 237 A CB 0.089 19.082 19.000 -0.011 0.000 1.036 237 A HN 0.304 nan 8.150 nan 0.000 0.510 238 P HA 0.028 nan 4.420 nan 0.000 0.231 238 P C 0.222 177.763 177.300 0.403 0.000 1.168 238 P CA 0.926 64.265 63.100 0.397 0.000 0.779 238 P CB 0.330 32.144 31.700 0.190 0.000 0.844 239 R N -2.491 118.240 120.500 0.384 0.000 2.781 239 R HA 0.552 4.892 4.340 0.000 0.000 0.269 239 R C -1.387 175.135 176.300 0.369 0.000 1.025 239 R CA -0.811 55.458 56.100 0.282 0.000 0.914 239 R CB 1.116 31.474 30.300 0.096 0.000 1.236 239 R HN -0.159 nan 8.270 nan 0.000 0.465 240 C N 3.036 122.471 119.300 0.225 0.000 2.239 240 C HA 0.490 4.950 4.460 0.000 0.000 0.323 240 C C -1.680 173.389 174.990 0.132 0.000 1.205 240 C CA -1.923 57.230 59.018 0.224 0.000 1.584 240 C CB 0.523 28.253 27.740 -0.016 0.000 2.201 240 C HN 0.612 nan 8.230 nan 0.000 0.475 241 P HA 0.208 nan 4.420 nan 0.000 0.268 241 P C -0.313 177.115 177.300 0.214 0.000 1.329 241 P CA 0.260 63.456 63.100 0.159 0.000 0.899 241 P CB 0.034 31.838 31.700 0.173 0.000 1.378 242 F N 1.647 121.567 119.950 -0.050 0.000 2.628 242 F HA 0.453 4.980 4.527 0.000 0.000 0.309 242 F C -2.589 173.034 175.800 -0.296 0.000 1.108 242 F CA -2.496 55.420 58.000 -0.139 0.000 0.971 242 F CB 2.073 41.040 39.000 -0.055 0.000 1.279 242 F HN -0.336 nan 8.300 nan 0.000 0.441 243 P HA 0.066 nan 4.420 nan 0.000 0.262 243 P C 0.461 177.520 177.300 -0.402 0.000 1.199 243 P CA 0.234 63.085 63.100 -0.415 0.000 0.763 243 P CB 0.573 32.045 31.700 -0.381 0.000 0.790 244 T N 0.491 114.768 114.554 -0.462 0.000 3.118 244 T HA 0.032 4.383 4.350 0.000 0.000 0.260 244 T C 1.073 175.711 174.700 -0.103 0.000 1.139 244 T CA 0.470 62.171 62.100 -0.665 0.000 1.085 244 T CB -0.210 68.418 68.868 -0.401 0.000 0.934 244 T HN 0.182 nan 8.240 nan 0.000 0.518 245 R N 0.521 121.004 120.500 -0.029 0.000 2.543 245 R HA 0.230 4.570 4.340 0.000 0.000 0.323 245 R C 0.182 176.534 176.300 0.086 0.000 1.002 245 R CA -0.383 55.754 56.100 0.061 0.000 1.106 245 R CB -0.465 29.842 30.300 0.012 0.000 1.280 245 R HN 0.589 nan 8.270 nan 0.000 0.549 246 H N 3.182 122.275 119.070 0.038 0.000 2.848 246 H HA 0.049 4.605 4.556 0.000 0.000 0.341 246 H C -1.332 174.095 175.328 0.165 0.000 1.060 246 H CA -1.049 55.048 56.048 0.081 0.000 1.444 246 H CB 1.624 31.426 29.762 0.067 0.000 1.446 246 H HN -0.140 nan 8.280 nan 0.000 0.583 247 P HA -0.156 nan 4.420 nan 0.000 0.217 247 P C 1.328 178.686 177.300 0.097 0.000 1.148 247 P CA 1.164 64.219 63.100 -0.073 0.000 0.828 247 P CB -0.060 31.527 31.700 -0.189 0.000 0.783 248 C N -2.483 117.035 119.300 0.365 0.000 2.514 248 C HA 0.151 4.611 4.460 0.000 0.000 0.271 248 C C 1.339 176.352 174.990 0.039 0.000 1.399 248 C CA -0.622 58.528 59.018 0.220 0.000 1.765 248 C CB -1.928 25.986 27.740 0.289 0.000 1.893 248 C HN 0.099 nan 8.230 nan 0.000 0.531 249 F N 2.123 122.110 119.950 0.061 0.000 2.504 249 F HA 0.238 4.765 4.527 0.000 0.000 0.369 249 F C 1.264 176.888 175.800 -0.293 0.000 1.082 249 F CA 0.121 58.054 58.000 -0.112 0.000 1.216 249 F CB 0.427 39.532 39.000 0.175 0.000 1.108 249 F HN -0.036 nan 8.300 nan 0.000 0.554 250 R N 3.696 123.422 120.500 -1.290 0.000 2.476 250 R HA 0.344 4.684 4.340 0.000 0.000 0.276 250 R C 0.491 176.063 176.300 -1.213 0.000 0.941 250 R CA 0.379 55.670 56.100 -1.349 0.000 1.088 250 R CB 0.064 29.015 30.300 -2.248 0.000 1.216 250 R HN 0.964 nan 8.270 nan 0.000 0.533 251 G N 1.142 108.919 108.800 -1.704 0.000 2.498 251 G HA2 -0.212 3.749 3.960 0.000 0.000 0.651 251 G HA3 -0.212 3.749 3.960 0.000 0.000 0.651 251 G C -1.349 173.228 174.900 -0.539 0.000 1.284 251 G CA -0.747 43.808 45.100 -0.908 0.000 0.950 251 G HN 0.112 nan 8.290 nan 0.000 0.511 252 L N 1.008 121.962 121.223 -0.448 0.000 2.360 252 L HA 0.670 5.010 4.340 0.000 0.000 0.276 252 L C 1.172 177.843 176.870 -0.332 0.000 1.121 252 L CA -0.130 54.338 54.840 -0.619 0.000 0.845 252 L CB 0.435 41.847 42.059 -1.078 0.000 1.143 252 L HN 0.597 nan 8.230 nan 0.000 0.452 253 M N 7.855 127.283 119.600 -0.286 0.000 2.239 253 M HA 0.219 4.699 4.480 0.000 0.000 0.348 253 M C -1.910 174.231 176.300 -0.264 0.000 1.239 253 M CA -1.468 53.660 55.300 -0.287 0.000 1.114 253 M CB 0.267 32.627 32.600 -0.400 0.000 1.641 253 M HN 0.489 nan 8.290 nan 0.000 0.453 254 P HA 0.086 nan 4.420 nan 0.000 0.272 254 P C -0.767 176.488 177.300 -0.075 0.000 1.223 254 P CA -0.227 62.791 63.100 -0.138 0.000 0.784 254 P CB 0.485 32.120 31.700 -0.108 0.000 0.923 255 A N 1.840 124.671 122.820 0.019 0.000 2.929 255 A HA 0.518 4.838 4.320 0.000 0.000 0.279 255 A C 0.763 178.527 177.584 0.299 0.000 1.418 255 A CA -0.038 52.089 52.037 0.151 0.000 1.035 255 A CB -1.144 17.982 19.000 0.210 0.000 1.047 255 A HN 0.628 nan 8.150 nan 0.000 0.609 256 G N -0.940 107.999 108.800 0.231 0.000 2.638 256 G HA2 0.488 4.448 3.960 0.000 0.000 0.302 256 G HA3 0.488 4.448 3.960 0.000 0.000 0.302 256 G C 0.546 175.438 174.900 -0.013 0.000 1.365 256 G CA -0.606 44.561 45.100 0.112 0.000 0.987 256 G HN 0.116 nan 8.290 nan 0.000 0.495 257 I N 1.523 121.866 120.570 -0.378 0.000 2.127 257 I HA -0.231 3.939 4.170 0.000 0.000 0.241 257 I C 3.029 179.028 176.117 -0.197 0.000 1.075 257 I CA 1.923 62.927 61.300 -0.493 0.000 1.334 257 I CB -0.017 37.606 38.000 -0.627 0.000 1.040 257 I HN 0.556 nan 8.210 nan 0.000 0.405 258 A N 0.467 123.164 122.820 -0.206 0.000 1.898 258 A HA -0.090 4.230 4.320 0.000 0.000 0.216 258 A C 2.522 180.033 177.584 -0.122 0.000 1.181 258 A CA 1.642 53.583 52.037 -0.160 0.000 0.620 258 A CB -0.845 18.052 19.000 -0.171 0.000 0.819 258 A HN 0.427 nan 8.150 nan 0.000 0.442 259 A N -0.055 122.696 122.820 -0.114 0.000 1.902 259 A HA -0.088 4.232 4.320 0.000 0.000 0.217 259 A C 2.118 179.601 177.584 -0.168 0.000 1.181 259 A CA 1.579 53.543 52.037 -0.121 0.000 0.623 259 A CB -0.571 18.368 19.000 -0.102 0.000 0.818 259 A HN 0.491 nan 8.150 nan 0.000 0.443 260 I N 0.566 121.045 120.570 -0.152 0.000 2.286 260 I HA -0.223 3.947 4.170 0.000 0.000 0.245 260 I C 2.851 178.855 176.117 -0.189 0.000 1.104 260 I CA 1.474 62.627 61.300 -0.244 0.000 1.397 260 I CB -0.195 37.658 38.000 -0.245 0.000 1.072 260 I HN 0.500 nan 8.210 nan 0.000 0.417 261 S N 0.164 115.818 115.700 -0.078 0.000 2.402 261 S HA -0.263 4.207 4.470 0.000 0.000 0.229 261 S C 1.927 176.481 174.600 -0.077 0.000 1.021 261 S CA 1.089 59.266 58.200 -0.039 0.000 0.974 261 S CB -0.429 62.767 63.200 -0.006 0.000 0.800 261 S HN 0.361 nan 8.310 nan 0.000 0.484 262 Q N 0.869 120.606 119.800 -0.105 0.000 2.124 262 Q HA 0.062 4.402 4.340 0.000 0.000 0.202 262 Q C 1.946 177.869 176.000 -0.128 0.000 0.977 262 Q CA 1.134 56.876 55.803 -0.103 0.000 0.850 262 Q CB -0.677 28.000 28.738 -0.101 0.000 0.901 262 Q HN 0.482 nan 8.270 nan 0.000 0.429 263 L N -0.468 120.624 121.223 -0.219 0.000 2.056 263 L HA -0.019 4.321 4.340 0.000 0.000 0.207 263 L C 1.772 178.513 176.870 -0.215 0.000 1.078 263 L CA 1.562 56.200 54.840 -0.336 0.000 0.749 263 L CB -0.402 41.229 42.059 -0.714 0.000 0.901 263 L HN 0.317 nan 8.230 nan 0.000 0.433 264 L N -0.918 120.200 121.223 -0.175 0.000 2.599 264 L HA 0.022 4.363 4.340 0.000 0.000 0.230 264 L C 0.868 177.789 176.870 0.085 0.000 1.141 264 L CA -0.164 54.686 54.840 0.017 0.000 0.877 264 L CB -0.415 41.622 42.059 -0.038 0.000 1.009 264 L HN 0.233 nan 8.230 nan 0.000 0.447 265 E N 0.721 120.918 120.200 -0.006 0.000 2.465 265 E HA 0.121 4.471 4.350 0.000 0.000 0.260 265 E C 1.163 177.699 176.600 -0.106 0.000 0.980 265 E CA 0.835 57.212 56.400 -0.037 0.000 0.927 265 E CB 0.367 30.036 29.700 -0.052 0.000 0.934 265 E HN 0.311 nan 8.360 nan 0.000 0.459 266 G N 4.231 112.969 108.800 -0.104 0.000 2.217 266 G HA2 -0.228 3.733 3.960 0.000 0.000 0.246 266 G HA3 -0.228 3.733 3.960 0.000 0.000 0.246 266 G C -0.118 174.645 174.900 -0.227 0.000 0.990 266 G CA 0.072 45.064 45.100 -0.180 0.000 0.627 266 G HN 0.710 nan 8.290 nan 0.000 0.522 267 H N 1.857 120.938 119.070 0.019 0.000 2.652 267 H HA 0.281 4.837 4.556 0.000 0.000 0.298 267 H C 1.144 176.487 175.328 0.025 0.000 1.076 267 H CA 0.274 56.340 56.048 0.030 0.000 1.360 267 H CB 1.376 31.165 29.762 0.045 0.000 1.421 267 H HN 0.480 nan 8.280 nan 0.000 0.464 268 D N 2.257 122.731 120.400 0.125 0.000 2.183 268 D HA -0.071 4.569 4.640 0.000 0.000 0.203 268 D C 0.494 176.839 176.300 0.075 0.000 0.969 268 D CA 0.472 54.517 54.000 0.076 0.000 0.842 268 D CB 0.394 41.224 40.800 0.050 0.000 0.957 268 D HN 0.112 nan 8.370 nan 0.000 0.484 269 V N 1.135 121.102 119.914 0.088 0.000 2.483 269 V HA 0.330 4.450 4.120 0.000 0.000 0.297 269 V C -0.452 175.680 176.094 0.063 0.000 1.027 269 V CA -1.013 61.325 62.300 0.063 0.000 0.855 269 V CB 2.483 34.333 31.823 0.045 0.000 0.995 269 V HN -0.100 nan 8.190 nan 0.000 0.424 270 V N 5.979 125.926 119.914 0.054 0.000 2.357 270 V HA 0.426 4.546 4.120 0.000 0.000 0.284 270 V C -0.390 175.726 176.094 0.036 0.000 1.018 270 V CA -0.536 61.790 62.300 0.044 0.000 0.841 270 V CB 1.617 33.481 31.823 0.069 0.000 0.991 270 V HN 0.669 nan 8.190 nan 0.000 0.437 271 L N 7.569 128.807 121.223 0.025 0.000 2.255 271 L HA 0.556 4.896 4.340 0.000 0.000 0.289 271 L C -0.267 176.621 176.870 0.030 0.000 1.046 271 L CA 0.274 55.125 54.840 0.019 0.000 0.816 271 L CB 1.270 43.335 42.059 0.011 0.000 1.197 271 L HN 0.444 nan 8.230 nan 0.000 0.427 272 V N 6.881 126.810 119.914 0.026 0.000 2.407 272 V HA 0.481 4.601 4.120 0.000 0.000 0.278 272 V C 0.216 176.319 176.094 0.015 0.000 1.037 272 V CA -0.393 61.931 62.300 0.040 0.000 0.900 272 V CB 1.331 33.160 31.823 0.011 0.000 0.983 272 V HN 0.577 nan 8.190 nan 0.000 0.459 273 I N 3.232 123.821 120.570 0.032 0.000 2.466 273 I HA 0.579 4.750 4.170 0.000 0.000 0.289 273 I C 1.012 177.151 176.117 0.037 0.000 1.026 273 I CA -0.602 60.713 61.300 0.025 0.000 1.078 273 I CB 1.801 39.819 38.000 0.030 0.000 1.249 273 I HN 0.807 nan 8.210 nan 0.000 0.429 274 G N 4.295 113.111 108.800 0.027 0.000 2.225 274 G HA2 -0.087 3.873 3.960 0.000 0.000 0.267 274 G HA3 -0.087 3.873 3.960 0.000 0.000 0.267 274 G C 0.008 174.942 174.900 0.056 0.000 1.024 274 G CA 0.416 45.542 45.100 0.043 0.000 0.784 274 G HN 1.060 nan 8.290 nan 0.000 0.507 275 A N -0.731 122.111 122.820 0.037 0.000 2.498 275 A HA 0.955 5.275 4.320 0.000 0.000 0.298 275 A C -2.651 174.923 177.584 -0.017 0.000 1.075 275 A CA -1.482 50.578 52.037 0.037 0.000 0.714 275 A CB 1.847 20.895 19.000 0.081 0.000 1.299 275 A HN 0.092 nan 8.150 nan 0.000 0.407 276 P HA 0.347 nan 4.420 nan 0.000 0.272 276 P C -0.772 176.397 177.300 -0.219 0.000 1.223 276 P CA -0.161 62.882 63.100 -0.096 0.000 0.784 276 P CB 0.720 32.380 31.700 -0.067 0.000 0.923 277 V N 3.443 123.125 119.914 -0.387 0.000 2.293 277 V HA 0.360 4.480 4.120 0.000 0.000 0.275 277 V C -0.374 175.404 176.094 -0.527 0.000 1.021 277 V CA -0.020 61.764 62.300 -0.861 0.000 0.815 277 V CB -0.670 30.634 31.823 -0.865 0.000 1.025 277 V HN 0.380 nan 8.190 nan 0.000 0.448 278 F N 2.482 122.185 119.950 -0.411 0.000 2.618 278 F HA 0.644 5.171 4.527 0.000 0.000 0.332 278 F C 0.588 176.021 175.800 -0.611 0.000 1.061 278 F CA -1.343 56.307 58.000 -0.583 0.000 0.974 278 F CB 1.584 40.095 39.000 -0.816 0.000 1.310 278 F HN 0.209 nan 8.300 nan 0.000 0.491 279 R N 1.430 121.840 120.500 -0.152 0.000 3.701 279 R HA 0.250 4.590 4.340 0.000 0.000 0.210 279 R C -1.458 174.820 176.300 -0.037 0.000 1.598 279 R CA -0.149 55.904 56.100 -0.078 0.000 1.427 279 R CB -1.227 29.064 30.300 -0.015 0.000 1.339 279 R HN 0.353 nan 8.270 nan 0.000 0.720 280 Y N 0.073 120.483 120.300 0.184 0.000 2.385 280 Y HA 0.099 4.649 4.550 0.000 0.000 0.346 280 Y C 1.674 177.724 175.900 0.249 0.000 1.270 280 Y CA 0.347 58.567 58.100 0.200 0.000 1.472 280 Y CB 0.510 39.106 38.460 0.226 0.000 1.354 280 Y HN 0.499 nan 8.280 nan 0.000 0.611 281 H N -0.988 118.295 119.070 0.355 0.000 2.809 281 H HA 0.118 4.674 4.556 0.000 0.000 0.150 281 H C 0.051 175.611 175.328 0.387 0.000 1.073 281 H CA -0.179 56.062 56.048 0.321 0.000 1.099 281 H CB 0.488 30.442 29.762 0.319 0.000 1.078 281 H HN 0.639 nan 8.280 nan 0.000 0.337 282 Q N 1.532 121.624 119.800 0.487 0.000 2.361 282 Q HA -0.089 4.252 4.340 0.000 0.000 0.276 282 Q C -1.021 175.196 176.000 0.361 0.000 1.022 282 Q CA -0.078 55.983 55.803 0.430 0.000 0.898 282 Q CB 0.548 29.459 28.738 0.288 0.000 1.246 282 Q HN 0.438 nan 8.270 nan 0.000 0.410 283 Y N 2.318 122.717 120.300 0.165 0.000 2.480 283 Y HA 0.168 4.718 4.550 0.000 0.000 0.341 283 Y C -0.779 175.125 175.900 0.007 0.000 1.031 283 Y CA -0.759 57.381 58.100 0.066 0.000 1.295 283 Y CB 0.541 39.034 38.460 0.055 0.000 1.162 283 Y HN 0.795 nan 8.280 nan 0.000 0.523 284 D N 8.808 129.060 120.400 -0.247 0.000 2.656 284 D HA 0.275 4.915 4.640 0.000 0.000 0.303 284 D C -3.043 172.995 176.300 -0.438 0.000 1.199 284 D CA -1.928 51.890 54.000 -0.303 0.000 0.797 284 D CB 0.735 41.455 40.800 -0.133 0.000 1.170 284 D HN 0.224 nan 8.370 nan 0.000 0.509 285 P HA 0.485 nan 4.420 nan 0.000 0.272 285 P C 0.527 177.606 177.300 -0.368 0.000 1.230 285 P CA 0.257 63.009 63.100 -0.580 0.000 0.788 285 P CB 1.680 32.952 31.700 -0.713 0.000 0.949 286 G N 0.598 109.198 108.800 -0.333 0.000 2.441 286 G HA2 0.049 4.009 3.960 0.000 0.000 0.222 286 G HA3 0.049 4.009 3.960 0.000 0.000 0.222 286 G C -1.529 173.192 174.900 -0.298 0.000 1.254 286 G CA -0.640 44.305 45.100 -0.258 0.000 0.959 286 G HN 0.478 nan 8.290 nan 0.000 0.474 287 Q N -0.213 119.460 119.800 -0.212 0.000 2.288 287 Q HA 0.483 4.824 4.340 0.000 0.000 0.254 287 Q C 0.374 176.288 176.000 -0.145 0.000 0.932 287 Q CA -0.529 55.173 55.803 -0.168 0.000 0.902 287 Q CB 1.296 29.993 28.738 -0.067 0.000 1.203 287 Q HN 0.512 nan 8.270 nan 0.000 0.415 288 Y N 1.146 121.457 120.300 0.019 0.000 2.163 288 Y HA -0.064 4.486 4.550 0.000 0.000 0.288 288 Y C 0.580 176.539 175.900 0.099 0.000 1.136 288 Y CA 0.928 59.077 58.100 0.081 0.000 1.147 288 Y CB 0.289 38.811 38.460 0.102 0.000 0.987 288 Y HN 0.396 nan 8.280 nan 0.000 0.509 289 L N -0.055 121.304 121.223 0.227 0.000 2.401 289 L HA 0.365 4.705 4.340 0.000 0.000 0.266 289 L C -0.452 176.462 176.870 0.073 0.000 0.991 289 L CA -1.051 53.870 54.840 0.135 0.000 0.818 289 L CB 2.511 44.647 42.059 0.128 0.000 1.321 289 L HN -0.166 nan 8.230 nan 0.000 0.413 290 K N 1.909 122.333 120.400 0.040 0.000 2.126 290 K HA 0.358 4.678 4.320 0.000 0.000 0.257 290 K C -2.349 174.263 176.600 0.021 0.000 1.007 290 K CA -1.584 54.713 56.287 0.016 0.000 0.928 290 K CB 0.478 32.975 32.500 -0.006 0.000 1.013 290 K HN 0.242 nan 8.250 nan 0.000 0.473 291 P HA -0.031 nan 4.420 nan 0.000 0.265 291 P C 0.437 177.743 177.300 0.011 0.000 1.193 291 P CA 0.699 63.807 63.100 0.013 0.000 0.765 291 P CB 0.528 32.231 31.700 0.005 0.000 0.823 292 G N 1.623 110.434 108.800 0.017 0.000 2.213 292 G HA2 -0.187 3.773 3.960 0.000 0.000 0.226 292 G HA3 -0.187 3.773 3.960 0.000 0.000 0.226 292 G C 0.148 175.065 174.900 0.029 0.000 0.992 292 G CA -0.098 45.012 45.100 0.017 0.000 0.632 292 G HN 0.599 nan 8.290 nan 0.000 0.511 293 T N 2.622 117.200 114.554 0.039 0.000 2.728 293 T HA 0.568 4.918 4.350 0.000 0.000 0.296 293 T C 0.242 174.973 174.700 0.051 0.000 0.940 293 T CA -0.335 61.799 62.100 0.057 0.000 1.013 293 T CB 1.685 70.595 68.868 0.070 0.000 0.912 293 T HN 0.314 nan 8.240 nan 0.000 0.484 294 R N 3.191 123.719 120.500 0.047 0.000 2.349 294 R HA 0.481 4.821 4.340 0.000 0.000 0.299 294 R C -0.973 175.350 176.300 0.037 0.000 1.027 294 R CA -0.646 55.476 56.100 0.036 0.000 0.958 294 R CB 0.898 31.214 30.300 0.028 0.000 1.047 294 R HN 0.571 nan 8.270 nan 0.000 0.468 295 L N 5.833 127.070 121.223 0.023 0.000 2.333 295 L HA 0.542 4.882 4.340 0.000 0.000 0.280 295 L C -1.027 175.835 176.870 -0.013 0.000 1.004 295 L CA -0.509 54.339 54.840 0.013 0.000 0.820 295 L CB 1.305 43.368 42.059 0.007 0.000 1.247 295 L HN 0.560 nan 8.230 nan 0.000 0.416 296 I N 3.894 124.457 120.570 -0.012 0.000 2.389 296 I HA 0.347 4.518 4.170 0.000 0.000 0.288 296 I C -0.325 175.771 176.117 -0.034 0.000 0.999 296 I CA -0.392 60.894 61.300 -0.022 0.000 1.129 296 I CB 1.958 39.953 38.000 -0.009 0.000 1.288 296 I HN 0.515 nan 8.210 nan 0.000 0.444 297 S N 5.683 121.349 115.700 -0.056 0.000 2.454 297 S HA 0.630 5.100 4.470 0.000 0.000 0.306 297 S C -0.701 173.871 174.600 -0.048 0.000 1.100 297 S CA -0.489 57.670 58.200 -0.068 0.000 1.087 297 S CB 1.253 64.382 63.200 -0.119 0.000 1.019 297 S HN 0.333 nan 8.310 nan 0.000 0.480 298 V N 4.599 124.493 119.914 -0.034 0.000 2.370 298 V HA 0.641 4.761 4.120 0.000 0.000 0.283 298 V C 0.370 176.447 176.094 -0.028 0.000 1.023 298 V CA -0.495 61.789 62.300 -0.026 0.000 0.857 298 V CB 1.168 32.983 31.823 -0.013 0.000 0.985 298 V HN 0.929 nan 8.190 nan 0.000 0.443 299 T N 3.117 117.650 114.554 -0.036 0.000 2.909 299 T HA 0.252 4.602 4.350 0.000 0.000 0.299 299 T C 0.785 175.453 174.700 -0.053 0.000 1.073 299 T CA -0.106 61.971 62.100 -0.038 0.000 0.999 299 T CB 1.364 70.207 68.868 -0.043 0.000 1.098 299 T HN 0.876 nan 8.240 nan 0.000 0.477 300 C N 1.719 120.972 119.300 -0.077 0.000 2.626 300 C HA 0.436 4.897 4.460 0.000 0.000 0.266 300 C C 0.507 175.401 174.990 -0.160 0.000 1.317 300 C CA -0.429 58.517 59.018 -0.120 0.000 1.716 300 C CB -1.315 26.332 27.740 -0.154 0.000 1.819 300 C HN 0.752 nan 8.230 nan 0.000 0.578 301 D N 1.248 121.569 120.400 -0.131 0.000 2.425 301 D HA 0.365 5.005 4.640 0.000 0.000 0.240 301 D C -1.836 174.433 176.300 -0.052 0.000 1.080 301 D CA -2.019 51.913 54.000 -0.114 0.000 0.836 301 D CB 2.043 42.806 40.800 -0.061 0.000 1.125 301 D HN -0.062 nan 8.370 nan 0.000 0.525 302 P HA -0.076 nan 4.420 nan 0.000 0.216 302 P C 1.718 179.016 177.300 -0.003 0.000 1.150 302 P CA 0.795 63.883 63.100 -0.019 0.000 0.837 302 P CB 0.407 32.103 31.700 -0.008 0.000 0.786 303 L N -0.588 120.644 121.223 0.016 0.000 2.083 303 L HA -0.184 4.157 4.340 0.000 0.000 0.209 303 L C 2.406 179.287 176.870 0.018 0.000 1.083 303 L CA 1.586 56.451 54.840 0.040 0.000 0.752 303 L CB -0.856 41.259 42.059 0.093 0.000 0.899 303 L HN 0.030 nan 8.230 nan 0.000 0.433 304 E N 0.072 120.274 120.200 0.002 0.000 2.047 304 E HA -0.203 4.147 4.350 0.000 0.000 0.191 304 E C 2.332 178.900 176.600 -0.054 0.000 0.987 304 E CA 1.120 57.504 56.400 -0.026 0.000 0.799 304 E CB -0.185 29.501 29.700 -0.023 0.000 0.752 304 E HN 0.492 nan 8.360 nan 0.000 0.449 305 A N 1.410 124.201 122.820 -0.048 0.000 1.933 305 A HA -0.116 4.204 4.320 0.000 0.000 0.218 305 A C 2.353 179.905 177.584 -0.053 0.000 1.175 305 A CA 1.676 53.678 52.037 -0.059 0.000 0.628 305 A CB -0.545 18.427 19.000 -0.047 0.000 0.814 305 A HN 0.292 nan 8.150 nan 0.000 0.444 306 A N 0.453 123.253 122.820 -0.033 0.000 1.929 306 A HA -0.101 4.219 4.320 0.000 0.000 0.216 306 A C 2.145 179.708 177.584 -0.034 0.000 1.176 306 A CA 1.485 53.506 52.037 -0.025 0.000 0.628 306 A CB -0.357 18.640 19.000 -0.005 0.000 0.816 306 A HN 0.702 nan 8.150 nan 0.000 0.444 307 R N -0.752 119.726 120.500 -0.037 0.000 2.334 307 R HA 0.509 4.849 4.340 0.000 0.000 0.216 307 R C 0.648 176.898 176.300 -0.083 0.000 0.905 307 R CA 0.508 56.584 56.100 -0.040 0.000 1.064 307 R CB -0.361 29.934 30.300 -0.010 0.000 1.046 307 R HN 0.231 nan 8.270 nan 0.000 0.508 308 A N 3.289 126.038 122.820 -0.118 0.000 2.548 308 A HA 0.142 4.462 4.320 0.000 0.000 0.247 308 A C -1.509 175.955 177.584 -0.200 0.000 1.067 308 A CA -1.071 50.856 52.037 -0.183 0.000 0.757 308 A CB 0.144 19.024 19.000 -0.200 0.000 0.996 308 A HN 0.307 nan 8.150 nan 0.000 0.504 309 P HA 0.058 nan 4.420 nan 0.000 0.245 309 P C -0.190 176.907 177.300 -0.338 0.000 1.212 309 P CA 0.733 63.583 63.100 -0.418 0.000 0.774 309 P CB -0.075 31.053 31.700 -0.953 0.000 0.999 310 M N -2.803 116.651 119.600 -0.243 0.000 2.682 310 M HA 0.640 5.120 4.480 0.000 0.000 0.272 310 M C -0.462 175.771 176.300 -0.112 0.000 1.232 310 M CA -0.320 54.902 55.300 -0.131 0.000 0.849 310 M CB 1.111 33.673 32.600 -0.063 0.000 1.695 310 M HN 0.039 nan 8.290 nan 0.000 0.481 311 G N 1.628 110.390 108.800 -0.064 0.000 2.707 311 G HA2 -0.001 3.959 3.960 0.000 0.000 0.686 311 G HA3 -0.001 3.959 3.960 0.000 0.000 0.686 311 G C -1.656 173.211 174.900 -0.055 0.000 1.315 311 G CA -0.392 44.675 45.100 -0.056 0.000 0.832 311 G HN 0.991 nan 8.290 nan 0.000 0.573 312 D N 0.198 120.573 120.400 -0.042 0.000 2.283 312 D HA 0.711 5.351 4.640 0.000 0.000 0.248 312 D C 0.690 176.960 176.300 -0.050 0.000 1.072 312 D CA 1.063 55.040 54.000 -0.039 0.000 0.929 312 D CB 1.587 42.372 40.800 -0.025 0.000 1.182 312 D HN 1.125 nan 8.370 nan 0.000 0.433 313 A N 1.282 124.074 122.820 -0.047 0.000 2.435 313 A HA 0.739 5.059 4.320 0.000 0.000 0.304 313 A C -0.884 176.678 177.584 -0.037 0.000 1.064 313 A CA -0.648 51.359 52.037 -0.051 0.000 0.727 313 A CB 0.941 19.904 19.000 -0.061 0.000 1.284 313 A HN 0.502 nan 8.150 nan 0.000 0.415 314 I N 1.827 122.375 120.570 -0.036 0.000 2.418 314 I HA 0.323 4.493 4.170 0.000 0.000 0.287 314 I C -0.774 175.324 176.117 -0.033 0.000 1.008 314 I CA -0.840 60.443 61.300 -0.029 0.000 1.104 314 I CB 2.064 40.051 38.000 -0.023 0.000 1.264 314 I HN 0.305 nan 8.210 nan 0.000 0.438 315 V N 6.098 125.993 119.914 -0.032 0.000 2.368 315 V HA 0.793 4.914 4.120 0.000 0.000 0.266 315 V C 0.381 176.454 176.094 -0.035 0.000 1.045 315 V CA -0.042 62.236 62.300 -0.037 0.000 0.899 315 V CB 0.458 32.259 31.823 -0.036 0.000 1.006 315 V HN 0.882 nan 8.190 nan 0.000 0.470 316 A N 3.684 126.481 122.820 -0.038 0.000 2.586 316 A HA 0.596 4.916 4.320 0.000 0.000 0.290 316 A C -1.119 176.442 177.584 -0.037 0.000 1.086 316 A CA -0.796 51.221 52.037 -0.033 0.000 0.665 316 A CB 1.098 20.083 19.000 -0.024 0.000 1.279 316 A HN 0.700 nan 8.150 nan 0.000 0.423 317 D N 0.297 120.678 120.400 -0.032 0.000 2.425 317 D HA 0.299 4.939 4.640 0.000 0.000 0.247 317 D C 1.117 177.406 176.300 -0.019 0.000 1.147 317 D CA -0.315 53.668 54.000 -0.029 0.000 0.879 317 D CB 0.377 41.163 40.800 -0.022 0.000 1.179 317 D HN 0.277 nan 8.370 nan 0.000 0.456 318 I N 3.646 124.207 120.570 -0.016 0.000 2.315 318 I HA -0.054 4.117 4.170 0.000 0.000 0.248 318 I C 2.277 178.398 176.117 0.006 0.000 1.117 318 I CA 1.119 62.418 61.300 -0.002 0.000 1.404 318 I CB -1.570 36.435 38.000 0.008 0.000 1.071 318 I HN 0.671 nan 8.210 nan 0.000 0.419 319 G N 0.602 109.405 108.800 0.005 0.000 2.404 319 G HA2 -0.159 3.801 3.960 0.000 0.000 0.215 319 G HA3 -0.159 3.801 3.960 0.000 0.000 0.215 319 G C 1.854 176.757 174.900 0.004 0.000 1.174 319 G CA 0.922 46.027 45.100 0.008 0.000 0.780 319 G HN 0.473 nan 8.290 nan 0.000 0.537 320 A N 0.232 123.052 122.820 -0.000 0.000 1.933 320 A HA 0.064 4.384 4.320 0.000 0.000 0.218 320 A C 2.423 180.007 177.584 -0.001 0.000 1.175 320 A CA 1.812 53.848 52.037 -0.002 0.000 0.628 320 A CB -0.278 18.719 19.000 -0.006 0.000 0.814 320 A HN 0.314 nan 8.150 nan 0.000 0.444 321 M N -0.815 118.785 119.600 -0.001 0.000 2.160 321 M HA 0.017 4.497 4.480 0.000 0.000 0.264 321 M C 2.578 178.882 176.300 0.006 0.000 1.073 321 M CA 1.415 56.716 55.300 0.000 0.000 1.142 321 M CB -1.377 31.221 32.600 -0.003 0.000 1.358 321 M HN 0.465 nan 8.290 nan 0.000 0.422 322 A N -0.350 122.477 122.820 0.011 0.000 1.908 322 A HA -0.184 4.136 4.320 0.000 0.000 0.218 322 A C 2.486 180.079 177.584 0.015 0.000 1.181 322 A CA 2.434 54.481 52.037 0.018 0.000 0.627 322 A CB -1.002 18.012 19.000 0.025 0.000 0.818 322 A HN 0.493 nan 8.150 nan 0.000 0.445 323 S N -0.620 115.086 115.700 0.011 0.000 2.356 323 S HA -0.026 4.444 4.470 0.000 0.000 0.223 323 S C 2.217 176.821 174.600 0.007 0.000 1.032 323 S CA 1.605 59.810 58.200 0.008 0.000 1.005 323 S CB -0.536 62.667 63.200 0.005 0.000 0.867 323 S HN 0.843 nan 8.310 nan 0.000 0.449 324 A N 1.601 124.424 122.820 0.005 0.000 1.865 324 A HA -0.001 4.319 4.320 0.000 0.000 0.217 324 A C 2.254 179.842 177.584 0.007 0.000 1.191 324 A CA 1.648 53.687 52.037 0.004 0.000 0.623 324 A CB -0.947 18.054 19.000 0.002 0.000 0.826 324 A HN 0.577 nan 8.150 nan 0.000 0.444 325 L N -0.880 120.348 121.223 0.009 0.000 2.017 325 L HA -0.183 4.157 4.340 0.000 0.000 0.208 325 L C 3.127 180.006 176.870 0.014 0.000 1.073 325 L CA 1.039 55.885 54.840 0.011 0.000 0.745 325 L CB -0.668 41.398 42.059 0.012 0.000 0.894 325 L HN 0.446 nan 8.230 nan 0.000 0.432 326 A N 0.301 123.131 122.820 0.017 0.000 1.948 326 A HA -0.226 4.094 4.320 0.000 0.000 0.220 326 A C 2.009 179.603 177.584 0.016 0.000 1.177 326 A CA 2.093 54.141 52.037 0.019 0.000 0.636 326 A CB -0.511 18.500 19.000 0.019 0.000 0.815 326 A HN 0.477 nan 8.150 nan 0.000 0.449 327 N N -0.752 117.955 118.700 0.012 0.000 2.415 327 N HA 0.106 4.846 4.740 0.000 0.000 0.176 327 N C 1.452 176.967 175.510 0.009 0.000 1.042 327 N CA 0.700 53.756 53.050 0.010 0.000 0.902 327 N CB -0.048 38.443 38.487 0.007 0.000 0.986 327 N HN 0.491 nan 8.380 nan 0.000 0.447 328 L N 0.736 121.965 121.223 0.009 0.000 2.354 328 L HA 0.126 4.466 4.340 0.000 0.000 0.212 328 L C 0.638 177.514 176.870 0.010 0.000 1.091 328 L CA 0.018 54.863 54.840 0.009 0.000 0.828 328 L CB 0.046 42.109 42.059 0.007 0.000 0.973 328 L HN -0.078 nan 8.230 nan 0.000 0.461 329 V N -1.364 118.558 119.914 0.013 0.000 2.637 329 V HA 0.155 4.275 4.120 0.000 0.000 0.296 329 V C 0.221 176.324 176.094 0.016 0.000 1.046 329 V CA -0.933 61.377 62.300 0.015 0.000 1.066 329 V CB 0.520 32.354 31.823 0.018 0.000 0.968 329 V HN 0.156 nan 8.190 nan 0.000 0.483 330 E N 2.325 122.534 120.200 0.016 0.000 2.408 330 E HA 0.153 4.503 4.350 0.000 0.000 0.259 330 E C -0.003 176.608 176.600 0.019 0.000 1.110 330 E CA -0.241 56.169 56.400 0.016 0.000 0.929 330 E CB 0.720 30.429 29.700 0.014 0.000 0.971 330 E HN 0.843 nan 8.360 nan 0.000 0.438 331 E N 1.482 121.694 120.200 0.019 0.000 2.180 331 E HA 0.024 4.374 4.350 0.000 0.000 0.283 331 E C -0.706 175.907 176.600 0.022 0.000 1.061 331 E CA -0.155 56.259 56.400 0.023 0.000 0.861 331 E CB 0.954 30.667 29.700 0.022 0.000 1.056 331 E HN 0.283 nan 8.360 nan 0.000 0.407 332 S N 2.337 118.052 115.700 0.025 0.000 2.572 332 S HA -0.025 4.445 4.470 0.000 0.000 0.279 332 S C 1.322 175.935 174.600 0.022 0.000 1.341 332 S CA 0.229 58.443 58.200 0.024 0.000 1.043 332 S CB 0.880 64.097 63.200 0.028 0.000 0.887 332 S HN 0.613 nan 8.310 nan 0.000 0.516 333 S N 4.457 120.168 115.700 0.019 0.000 2.522 333 S HA 0.115 4.585 4.470 0.000 0.000 0.227 333 S C 0.760 175.371 174.600 0.018 0.000 0.986 333 S CA -0.153 58.057 58.200 0.017 0.000 0.929 333 S CB -0.184 63.025 63.200 0.014 0.000 0.769 333 S HN 0.736 nan 8.310 nan 0.000 0.529 334 R N 1.030 121.543 120.500 0.021 0.000 2.817 334 R HA 0.164 4.504 4.340 0.000 0.000 0.264 334 R C 0.053 176.367 176.300 0.023 0.000 1.009 334 R CA 0.073 56.187 56.100 0.023 0.000 1.133 334 R CB 0.124 30.442 30.300 0.029 0.000 1.013 334 R HN 0.326 nan 8.270 nan 0.000 0.453 335 Q N 0.982 120.794 119.800 0.021 0.000 2.299 335 Q HA 0.172 4.512 4.340 0.000 0.000 0.246 335 Q C -0.879 175.134 176.000 0.022 0.000 0.935 335 Q CA -0.324 55.490 55.803 0.018 0.000 0.887 335 Q CB 0.942 29.687 28.738 0.013 0.000 1.223 335 Q HN 0.323 nan 8.270 nan 0.000 0.439 336 L N 5.215 126.451 121.223 0.020 0.000 2.453 336 L HA 0.285 4.625 4.340 0.000 0.000 0.272 336 L C -2.119 174.760 176.870 0.016 0.000 1.182 336 L CA -1.099 53.756 54.840 0.025 0.000 0.858 336 L CB 0.252 42.323 42.059 0.020 0.000 1.120 336 L HN 0.602 nan 8.230 nan 0.000 0.474 337 P HA 0.049 nan 4.420 nan 0.000 0.265 337 P C -0.903 176.392 177.300 -0.008 0.000 1.187 337 P CA 0.037 63.140 63.100 0.005 0.000 0.766 337 P CB 0.181 31.879 31.700 -0.002 0.000 0.820 338 T N 1.734 116.280 114.554 -0.014 0.000 2.907 338 T HA 0.400 4.750 4.350 0.000 0.000 0.298 338 T C 0.453 175.138 174.700 -0.025 0.000 1.017 338 T CA -0.352 61.736 62.100 -0.020 0.000 1.118 338 T CB 0.551 69.410 68.868 -0.015 0.000 0.948 338 T HN 0.466 nan 8.240 nan 0.000 0.531 339 A N 2.432 125.237 122.820 -0.025 0.000 2.511 339 A HA 0.550 4.870 4.320 0.000 0.000 0.242 339 A C 0.914 178.491 177.584 -0.012 0.000 1.069 339 A CA -0.508 51.521 52.037 -0.014 0.000 0.763 339 A CB -0.348 18.642 19.000 -0.016 0.000 1.001 339 A HN 1.133 nan 8.150 nan 0.000 0.498 340 A N 3.855 126.670 122.820 -0.009 0.000 2.520 340 A HA 0.476 4.797 4.320 0.000 0.000 0.235 340 A C -1.775 175.809 177.584 0.000 0.000 1.065 340 A CA -0.606 51.421 52.037 -0.017 0.000 0.764 340 A CB -0.835 18.149 19.000 -0.027 0.000 1.002 340 A HN 0.729 nan 8.150 nan 0.000 0.502 341 P HA 0.328 nan 4.420 nan 0.000 0.274 341 P C -0.321 176.986 177.300 0.011 0.000 1.231 341 P CA -0.423 62.679 63.100 0.003 0.000 0.790 341 P CB 0.420 32.120 31.700 0.000 0.000 0.951 342 E N 2.380 122.587 120.200 0.012 0.000 2.414 342 E HA 0.124 4.474 4.350 0.000 0.000 0.263 342 E C -1.788 174.821 176.600 0.016 0.000 1.000 342 E CA -1.167 55.243 56.400 0.016 0.000 0.914 342 E CB -0.511 29.197 29.700 0.014 0.000 0.948 342 E HN 0.326 nan 8.360 nan 0.000 0.444 343 P HA 0.141 nan 4.420 nan 0.000 0.271 343 P C -1.106 176.204 177.300 0.017 0.000 1.218 343 P CA -0.408 62.703 63.100 0.019 0.000 0.780 343 P CB 0.987 32.703 31.700 0.027 0.000 0.901 344 A N 2.802 125.629 122.820 0.011 0.000 2.445 344 A HA 0.119 4.439 4.320 0.000 0.000 0.242 344 A C 0.500 178.088 177.584 0.007 0.000 1.075 344 A CA -0.307 51.734 52.037 0.007 0.000 0.777 344 A CB -0.144 18.857 19.000 0.001 0.000 1.013 344 A HN 0.586 nan 8.150 nan 0.000 0.493 345 K N 2.290 122.693 120.400 0.006 0.000 2.349 345 K HA 0.362 4.682 4.320 0.000 0.000 0.289 345 K C -0.708 175.886 176.600 -0.010 0.000 1.064 345 K CA -0.327 55.964 56.287 0.006 0.000 0.947 345 K CB 0.288 32.794 32.500 0.010 0.000 1.007 345 K HN 0.447 nan 8.250 nan 0.000 0.478 346 V N 4.910 124.811 119.914 -0.022 0.000 2.572 346 V HA -0.048 4.073 4.120 0.000 0.000 0.291 346 V C 0.164 176.214 176.094 -0.075 0.000 1.039 346 V CA -0.207 62.046 62.300 -0.079 0.000 1.055 346 V CB 0.852 32.601 31.823 -0.123 0.000 0.969 346 V HN 0.822 nan 8.190 nan 0.000 0.482 347 D N 4.149 124.494 120.400 -0.093 0.000 2.450 347 D HA 0.169 4.809 4.640 0.000 0.000 0.247 347 D C -0.011 176.305 176.300 0.027 0.000 1.162 347 D CA 0.403 54.385 54.000 -0.031 0.000 0.879 347 D CB 1.057 41.845 40.800 -0.020 0.000 1.163 347 D HN 0.542 nan 8.370 nan 0.000 0.472 348 Q N 2.462 122.317 119.800 0.092 0.000 2.292 348 Q HA 0.200 4.540 4.340 0.000 0.000 0.270 348 Q C -0.990 175.071 176.000 0.103 0.000 1.024 348 Q CA -0.815 55.092 55.803 0.173 0.000 0.768 348 Q CB 1.255 30.080 28.738 0.146 0.000 1.250 348 Q HN 0.382 nan 8.270 nan 0.000 0.447 349 D N 2.166 122.625 120.400 0.099 0.000 2.425 349 D HA 0.278 4.918 4.640 0.000 0.000 0.274 349 D C 0.011 176.332 176.300 0.035 0.000 1.242 349 D CA -0.059 53.974 54.000 0.055 0.000 1.060 349 D CB 0.352 41.181 40.800 0.048 0.000 1.112 349 D HN 0.479 nan 8.370 nan 0.000 0.561 350 A N -1.230 121.603 122.820 0.023 0.000 2.370 350 A HA 0.510 4.830 4.320 0.000 0.000 0.238 350 A C 0.878 178.466 177.584 0.006 0.000 1.289 350 A CA 0.448 52.494 52.037 0.015 0.000 0.885 350 A CB -0.925 18.083 19.000 0.014 0.000 0.961 350 A HN 0.578 nan 8.150 nan 0.000 0.499 351 G N -0.708 108.091 108.800 -0.001 0.000 3.247 351 G HA2 0.444 4.404 3.960 0.000 0.000 0.163 351 G HA3 0.444 4.404 3.960 0.000 0.000 0.163 351 G C -0.126 174.754 174.900 -0.033 0.000 1.206 351 G CA -0.964 44.127 45.100 -0.014 0.000 0.918 351 G HN 0.366 nan 8.290 nan 0.000 0.625 352 R N -0.582 119.885 120.500 -0.054 0.000 2.698 352 R HA 0.212 4.552 4.340 0.000 0.000 0.266 352 R C -0.531 175.691 176.300 -0.131 0.000 1.026 352 R CA 0.029 56.084 56.100 -0.076 0.000 1.102 352 R CB 0.282 30.536 30.300 -0.077 0.000 0.978 352 R HN 0.186 nan 8.270 nan 0.000 0.436 353 L N 3.500 124.659 121.223 -0.107 0.000 2.276 353 L HA 0.184 4.524 4.340 0.000 0.000 0.286 353 L C 0.476 177.265 176.870 -0.134 0.000 1.061 353 L CA -0.418 54.364 54.840 -0.096 0.000 0.807 353 L CB 0.704 42.729 42.059 -0.056 0.000 1.177 353 L HN 0.392 nan 8.230 nan 0.000 0.429 354 H N 4.178 123.242 119.070 -0.010 0.000 2.886 354 H HA 0.032 4.588 4.556 0.000 0.000 0.329 354 H C -1.548 173.757 175.328 -0.039 0.000 1.044 354 H CA -1.389 54.658 56.048 -0.002 0.000 1.456 354 H CB 1.025 30.797 29.762 0.016 0.000 1.464 354 H HN 0.392 nan 8.280 nan 0.000 0.573 355 P HA -0.190 nan 4.420 nan 0.000 0.216 355 P C 1.154 178.417 177.300 -0.062 0.000 1.154 355 P CA 1.422 64.481 63.100 -0.068 0.000 0.865 355 P CB 0.388 32.150 31.700 0.104 0.000 0.789 356 E N -1.142 119.151 120.200 0.154 0.000 2.130 356 E HA -0.165 4.185 4.350 0.000 0.000 0.196 356 E C 1.927 178.594 176.600 0.111 0.000 0.998 356 E CA 1.944 58.460 56.400 0.193 0.000 0.806 356 E CB -1.282 28.491 29.700 0.121 0.000 0.738 356 E HN 0.298 nan 8.360 nan 0.000 0.459 357 T N -0.033 114.560 114.554 0.066 0.000 2.777 357 T HA -0.102 4.248 4.350 0.000 0.000 0.266 357 T C 2.018 176.702 174.700 -0.027 0.000 1.040 357 T CA 1.132 63.255 62.100 0.038 0.000 1.141 357 T CB -0.265 68.639 68.868 0.060 0.000 0.868 357 T HN -0.015 nan 8.240 nan 0.000 0.444 358 V N 0.953 120.779 119.914 -0.147 0.000 2.343 358 V HA -0.119 4.001 4.120 0.000 0.000 0.247 358 V C 2.142 178.108 176.094 -0.214 0.000 1.051 358 V CA 1.593 63.745 62.300 -0.247 0.000 1.036 358 V CB -0.818 30.741 31.823 -0.440 0.000 0.654 358 V HN 0.378 nan 8.190 nan 0.000 0.451 359 F N 0.460 120.412 119.950 0.004 0.000 2.206 359 F HA -0.051 4.476 4.527 0.000 0.000 0.298 359 F C 2.195 177.977 175.800 -0.031 0.000 1.090 359 F CA 1.058 59.034 58.000 -0.040 0.000 1.323 359 F CB -0.869 38.094 39.000 -0.061 0.000 1.028 359 F HN 0.190 nan 8.300 nan 0.000 0.492 360 D N -0.285 120.205 120.400 0.149 0.000 2.117 360 D HA -0.131 4.509 4.640 0.000 0.000 0.197 360 D C 2.287 178.627 176.300 0.066 0.000 0.987 360 D CA 1.861 55.915 54.000 0.089 0.000 0.829 360 D CB -0.682 40.159 40.800 0.068 0.000 0.961 360 D HN 0.164 nan 8.370 nan 0.000 0.460 361 T N 0.801 115.385 114.554 0.050 0.000 2.737 361 T HA -0.064 4.286 4.350 0.000 0.000 0.265 361 T C 2.240 176.978 174.700 0.063 0.000 1.038 361 T CA 0.528 62.653 62.100 0.042 0.000 1.144 361 T CB -0.385 68.495 68.868 0.020 0.000 0.866 361 T HN 0.098 nan 8.240 nan 0.000 0.434 362 L N 1.198 122.472 121.223 0.084 0.000 2.013 362 L HA -0.176 4.164 4.340 0.000 0.000 0.212 362 L C 2.659 179.625 176.870 0.159 0.000 1.073 362 L CA 1.347 56.274 54.840 0.145 0.000 0.753 362 L CB -0.595 41.586 42.059 0.203 0.000 0.890 362 L HN 0.255 nan 8.230 nan 0.000 0.432 363 N N -0.137 118.632 118.700 0.116 0.000 2.166 363 N HA -0.200 4.540 4.740 0.000 0.000 0.186 363 N C 1.432 176.990 175.510 0.079 0.000 1.019 363 N CA 1.459 54.567 53.050 0.096 0.000 0.856 363 N CB -0.025 38.494 38.487 0.053 0.000 0.993 363 N HN 0.238 nan 8.380 nan 0.000 0.426 364 D N -0.823 119.615 120.400 0.064 0.000 2.234 364 D HA -0.014 4.626 4.640 0.000 0.000 0.205 364 D C 1.575 177.902 176.300 0.045 0.000 0.962 364 D CA 0.797 54.825 54.000 0.047 0.000 0.855 364 D CB 0.091 40.914 40.800 0.038 0.000 0.951 364 D HN 0.455 nan 8.370 nan 0.000 0.500 365 M N -0.023 119.611 119.600 0.057 0.000 2.653 365 M HA 0.208 4.688 4.480 0.000 0.000 0.259 365 M C 0.934 177.262 176.300 0.047 0.000 1.244 365 M CA -0.046 55.282 55.300 0.046 0.000 1.163 365 M CB 0.652 33.278 32.600 0.043 0.000 1.309 365 M HN -0.203 nan 8.290 nan 0.000 0.509 366 A N 2.483 125.349 122.820 0.077 0.000 2.425 366 A HA 0.386 4.706 4.320 0.000 0.000 0.242 366 A C -2.166 175.433 177.584 0.025 0.000 1.077 366 A CA -1.045 51.026 52.037 0.056 0.000 0.781 366 A CB -0.737 18.335 19.000 0.120 0.000 1.020 366 A HN 0.113 nan 8.150 nan 0.000 0.494 367 P HA 0.116 nan 4.420 nan 0.000 0.272 367 P C 0.104 177.391 177.300 -0.022 0.000 1.223 367 P CA -0.088 62.998 63.100 -0.024 0.000 0.784 367 P CB 0.567 32.239 31.700 -0.045 0.000 0.923 368 E N 1.023 121.215 120.200 -0.013 0.000 2.265 368 E HA -0.160 4.190 4.350 0.000 0.000 0.196 368 E C 0.934 177.518 176.600 -0.027 0.000 0.996 368 E CA 0.922 57.316 56.400 -0.009 0.000 0.832 368 E CB -0.172 29.521 29.700 -0.011 0.000 0.756 368 E HN 0.519 nan 8.360 nan 0.000 0.491 369 N N 0.449 119.121 118.700 -0.046 0.000 2.279 369 N HA 0.098 4.838 4.740 0.000 0.000 0.226 369 N C -0.281 175.168 175.510 -0.101 0.000 1.126 369 N CA -0.074 52.940 53.050 -0.060 0.000 0.846 369 N CB 0.179 38.636 38.487 -0.049 0.000 1.050 369 N HN -0.086 nan 8.380 nan 0.000 0.502 370 A N 0.772 123.500 122.820 -0.153 0.000 2.466 370 A HA 0.435 4.755 4.320 0.000 0.000 0.238 370 A C 0.136 177.509 177.584 -0.352 0.000 1.074 370 A CA -0.168 51.684 52.037 -0.309 0.000 0.774 370 A CB 0.104 18.805 19.000 -0.498 0.000 1.015 370 A HN 0.411 nan 8.150 nan 0.000 0.498 371 I N 1.288 121.646 120.570 -0.353 0.000 2.378 371 I HA 0.323 4.493 4.170 0.000 0.000 0.291 371 I C -1.198 174.744 176.117 -0.292 0.000 0.992 371 I CA -0.292 60.886 61.300 -0.204 0.000 1.154 371 I CB 1.223 39.207 38.000 -0.026 0.000 1.315 371 I HN 0.586 nan 8.210 nan 0.000 0.448 372 Y N 6.114 126.431 120.300 0.029 0.000 2.387 372 Y HA 0.600 5.150 4.550 0.000 0.000 0.336 372 Y C -0.384 175.512 175.900 -0.006 0.000 1.067 372 Y CA -0.759 57.355 58.100 0.023 0.000 1.114 372 Y CB 1.463 39.947 38.460 0.039 0.000 1.208 372 Y HN 0.327 nan 8.280 nan 0.000 0.458 373 L N 3.043 124.360 121.223 0.158 0.000 2.346 373 L HA 0.441 4.781 4.340 0.000 0.000 0.276 373 L C -0.573 176.358 176.870 0.102 0.000 1.006 373 L CA -0.593 54.292 54.840 0.075 0.000 0.817 373 L CB 1.521 43.628 42.059 0.081 0.000 1.272 373 L HN 0.563 nan 8.230 nan 0.000 0.421 374 N N 1.715 120.455 118.700 0.066 0.000 2.443 374 N HA 0.284 5.024 4.740 0.000 0.000 0.269 374 N C -0.614 175.082 175.510 0.311 0.000 0.985 374 N CA -0.163 53.030 53.050 0.238 0.000 0.921 374 N CB 1.246 39.938 38.487 0.343 0.000 1.195 374 N HN 0.673 nan 8.380 nan 0.000 0.492 375 E N 1.512 121.867 120.200 0.258 0.000 3.428 375 E HA 0.116 4.467 4.350 0.000 0.000 0.191 375 E C -1.094 175.646 176.600 0.233 0.000 0.980 375 E CA -0.080 56.451 56.400 0.219 0.000 1.305 375 E CB 0.281 30.062 29.700 0.136 0.000 1.105 375 E HN 0.377 nan 8.360 nan 0.000 0.455 376 S N 0.411 116.278 115.700 0.279 0.000 2.695 376 S HA 0.066 4.537 4.470 0.000 0.000 0.275 376 S C 1.274 176.042 174.600 0.281 0.000 1.203 376 S CA -0.138 58.220 58.200 0.262 0.000 1.061 376 S CB 0.313 63.683 63.200 0.284 0.000 1.152 376 S HN 0.382 nan 8.310 nan 0.000 0.495 377 T N 0.791 115.505 114.554 0.267 0.000 2.995 377 T HA -0.097 4.253 4.350 0.000 0.000 0.269 377 T C 1.820 176.632 174.700 0.186 0.000 1.091 377 T CA 1.208 63.476 62.100 0.281 0.000 1.128 377 T CB -0.430 68.605 68.868 0.278 0.000 0.891 377 T HN 0.659 nan 8.240 nan 0.000 0.492 378 S N 1.561 117.357 115.700 0.160 0.000 2.558 378 S HA 0.027 4.497 4.470 0.000 0.000 0.217 378 S C 1.738 176.375 174.600 0.062 0.000 0.975 378 S CA 0.506 58.750 58.200 0.074 0.000 0.912 378 S CB -0.665 62.604 63.200 0.116 0.000 0.776 378 S HN 0.719 nan 8.310 nan 0.000 0.526 379 T N -2.971 111.670 114.554 0.146 0.000 3.132 379 T HA 0.241 4.592 4.350 0.000 0.000 0.274 379 T C 1.183 175.958 174.700 0.124 0.000 1.011 379 T CA 0.198 62.418 62.100 0.200 0.000 0.899 379 T CB -0.144 68.966 68.868 0.402 0.000 1.089 379 T HN 0.171 nan 8.240 nan 0.000 0.543 380 T N 2.159 116.761 114.554 0.081 0.000 2.746 380 T HA 0.024 4.374 4.350 0.000 0.000 0.267 380 T C 2.401 177.140 174.700 0.066 0.000 1.039 380 T CA 1.512 63.660 62.100 0.081 0.000 1.142 380 T CB -0.673 68.231 68.868 0.060 0.000 0.866 380 T HN 0.627 nan 8.240 nan 0.000 0.444 381 A N 1.255 124.070 122.820 -0.008 0.000 1.933 381 A HA -0.184 4.136 4.320 0.000 0.000 0.218 381 A C 2.278 179.861 177.584 -0.002 0.000 1.175 381 A CA 1.676 53.701 52.037 -0.020 0.000 0.628 381 A CB -0.615 18.338 19.000 -0.078 0.000 0.814 381 A HN 0.493 nan 8.150 nan 0.000 0.444 382 Q N -1.186 118.599 119.800 -0.025 0.000 2.083 382 Q HA -0.024 4.316 4.340 0.000 0.000 0.198 382 Q C 2.138 177.983 176.000 -0.258 0.000 0.969 382 Q CA 1.539 57.324 55.803 -0.030 0.000 0.838 382 Q CB -0.394 28.416 28.738 0.119 0.000 0.900 382 Q HN 0.764 nan 8.270 nan 0.000 0.436 383 M N -0.962 118.253 119.600 -0.642 0.000 2.106 383 M HA -0.219 4.261 4.480 0.000 0.000 0.259 383 M C 1.124 177.074 176.300 -0.584 0.000 1.068 383 M CA 1.724 56.325 55.300 -1.165 0.000 1.100 383 M CB -0.101 31.845 32.600 -1.089 0.000 1.351 383 M HN 0.289 nan 8.290 nan 0.000 0.404 384 W N 0.548 121.622 121.300 -0.377 0.000 2.402 384 W HA -0.118 4.543 4.660 0.000 0.000 0.286 384 W C 2.342 178.778 176.519 -0.138 0.000 1.221 384 W CA 1.155 58.345 57.345 -0.259 0.000 1.257 384 W CB -0.103 29.225 29.460 -0.219 0.000 1.120 384 W HN 0.341 nan 8.180 nan 0.000 0.551 385 Q N -0.644 119.206 119.800 0.083 0.000 2.311 385 Q HA -0.030 4.310 4.340 0.000 0.000 0.203 385 Q C 1.802 177.811 176.000 0.016 0.000 0.954 385 Q CA 0.912 56.755 55.803 0.066 0.000 0.885 385 Q CB 0.018 28.779 28.738 0.039 0.000 0.963 385 Q HN 0.304 nan 8.270 nan 0.000 0.471 386 R N -0.890 119.571 120.500 -0.066 0.000 2.419 386 R HA 0.262 4.602 4.340 0.000 0.000 0.235 386 R C -0.168 176.080 176.300 -0.088 0.000 0.899 386 R CA -0.080 55.995 56.100 -0.043 0.000 1.048 386 R CB 0.886 31.201 30.300 0.025 0.000 1.182 386 R HN 0.054 nan 8.270 nan 0.000 0.544 387 L N 1.873 122.969 121.223 -0.211 0.000 2.272 387 L HA 0.286 4.626 4.340 0.000 0.000 0.289 387 L C -0.312 176.458 176.870 -0.166 0.000 1.032 387 L CA -0.457 54.230 54.840 -0.255 0.000 0.810 387 L CB 1.427 43.150 42.059 -0.560 0.000 1.205 387 L HN 0.114 nan 8.230 nan 0.000 0.422 388 N N 4.810 123.467 118.700 -0.071 0.000 2.401 388 N HA 0.288 5.028 4.740 0.000 0.000 0.255 388 N C -0.792 174.695 175.510 -0.039 0.000 1.110 388 N CA -0.384 52.635 53.050 -0.051 0.000 0.949 388 N CB 0.533 39.010 38.487 -0.016 0.000 1.110 388 N HN 0.556 nan 8.380 nan 0.000 0.490 389 M N 3.754 123.291 119.600 -0.105 0.000 2.027 389 M HA 0.235 4.715 4.480 0.000 0.000 0.329 389 M C 0.801 177.026 176.300 -0.126 0.000 0.971 389 M CA -0.448 54.799 55.300 -0.088 0.000 0.933 389 M CB 1.460 33.977 32.600 -0.139 0.000 1.392 389 M HN 0.482 nan 8.290 nan 0.000 0.394 390 R N 0.347 120.794 120.500 -0.089 0.000 2.119 390 R HA 0.100 4.440 4.340 0.000 0.000 0.222 390 R C 0.402 176.630 176.300 -0.121 0.000 1.088 390 R CA 0.781 56.817 56.100 -0.106 0.000 0.984 390 R CB 0.154 30.412 30.300 -0.070 0.000 0.884 390 R HN 0.597 nan 8.270 nan 0.000 0.447 391 N N 0.855 119.499 118.700 -0.093 0.000 2.459 391 N HA 0.296 5.036 4.740 0.000 0.000 0.288 391 N C -2.627 172.836 175.510 -0.079 0.000 1.186 391 N CA -1.699 51.302 53.050 -0.082 0.000 0.917 391 N CB 1.022 39.475 38.487 -0.057 0.000 1.219 391 N HN -0.217 nan 8.380 nan 0.000 0.525 392 P HA 0.092 nan 4.420 nan 0.000 0.271 392 P C 0.578 177.863 177.300 -0.025 0.000 1.233 392 P CA 0.312 63.387 63.100 -0.042 0.000 0.789 392 P CB 0.247 31.932 31.700 -0.026 0.000 0.951 393 G N 0.447 109.235 108.800 -0.020 0.000 2.249 393 G HA2 -0.270 3.690 3.960 0.000 0.000 0.273 393 G HA3 -0.270 3.690 3.960 0.000 0.000 0.273 393 G C 0.673 175.565 174.900 -0.014 0.000 1.036 393 G CA 0.552 45.660 45.100 0.015 0.000 0.824 393 G HN 0.458 nan 8.290 nan 0.000 0.504 394 S N -1.613 114.037 115.700 -0.083 0.000 2.540 394 S HA 0.384 4.854 4.470 0.000 0.000 0.218 394 S C 0.015 174.628 174.600 0.022 0.000 0.977 394 S CA 0.346 58.531 58.200 -0.025 0.000 0.918 394 S CB 0.510 63.700 63.200 -0.016 0.000 0.806 394 S HN 0.771 nan 8.310 nan 0.000 0.496 395 Y N 0.657 120.757 120.300 -0.334 0.000 2.441 395 Y HA 0.556 5.107 4.550 0.000 0.000 0.334 395 Y C -2.150 173.447 175.900 -0.505 0.000 1.061 395 Y CA -1.342 56.598 58.100 -0.267 0.000 1.032 395 Y CB 1.039 39.317 38.460 -0.303 0.000 1.266 395 Y HN 0.032 nan 8.280 nan 0.000 0.441 396 Y N 6.417 126.464 120.300 -0.423 0.000 2.470 396 Y HA 0.591 5.142 4.550 0.000 0.000 0.341 396 Y C -1.437 174.372 175.900 -0.151 0.000 1.021 396 Y CA -1.224 56.810 58.100 -0.111 0.000 1.025 396 Y CB 2.171 40.722 38.460 0.151 0.000 1.266 396 Y HN 0.594 nan 8.280 nan 0.000 0.448 397 F N 2.606 122.583 119.950 0.045 0.000 2.608 397 F HA 0.582 5.109 4.527 0.000 0.000 0.309 397 F C -0.515 175.200 175.800 -0.141 0.000 1.103 397 F CA -1.709 56.319 58.000 0.047 0.000 0.954 397 F CB 0.971 40.074 39.000 0.171 0.000 1.267 397 F HN 0.725 nan 8.300 nan 0.000 0.444 398 C N 3.983 122.664 119.300 -1.032 0.000 2.519 398 C HA 0.476 4.937 4.460 0.000 0.000 0.402 398 C C 1.540 176.158 174.990 -0.621 0.000 1.475 398 C CA 0.009 58.391 59.018 -1.059 0.000 1.504 398 C CB -0.887 26.406 27.740 -0.744 0.000 2.454 398 C HN 1.023 nan 8.230 nan 0.000 0.615 399 A N 3.204 125.742 122.820 -0.470 0.000 2.014 399 A HA 0.314 4.634 4.320 0.000 0.000 0.218 399 A C 2.112 179.634 177.584 -0.104 0.000 1.163 399 A CA 1.447 53.384 52.037 -0.166 0.000 0.652 399 A CB -0.360 18.538 19.000 -0.170 0.000 0.808 399 A HN 1.597 nan 8.150 nan 0.000 0.449 400 A N -1.874 120.852 122.820 -0.156 0.000 2.500 400 A HA 0.475 4.795 4.320 0.000 0.000 0.267 400 A C 1.518 179.024 177.584 -0.129 0.000 1.290 400 A CA 0.863 52.843 52.037 -0.095 0.000 0.928 400 A CB -0.833 18.135 19.000 -0.053 0.000 1.066 400 A HN 1.734 nan 8.150 nan 0.000 0.516 401 G N -0.847 107.846 108.800 -0.178 0.000 2.166 401 G HA2 -0.126 3.834 3.960 0.000 0.000 0.260 401 G HA3 -0.126 3.834 3.960 0.000 0.000 0.260 401 G C 0.704 175.476 174.900 -0.215 0.000 0.986 401 G CA 0.311 45.303 45.100 -0.181 0.000 0.683 401 G HN 1.494 nan 8.290 nan 0.000 0.527 402 G N 0.067 108.729 108.800 -0.230 0.000 2.351 402 G HA2 0.557 4.517 3.960 0.000 0.000 0.287 402 G HA3 0.557 4.517 3.960 0.000 0.000 0.287 402 G C 0.480 175.224 174.900 -0.260 0.000 1.159 402 G CA -0.548 44.421 45.100 -0.217 0.000 0.929 402 G HN 0.585 nan 8.290 nan 0.000 0.435 403 L N 1.844 122.826 121.223 -0.401 0.000 2.452 403 L HA 0.462 4.802 4.340 0.000 0.000 0.267 403 L C 1.470 178.112 176.870 -0.380 0.000 1.188 403 L CA 0.674 55.222 54.840 -0.486 0.000 0.821 403 L CB 1.072 42.587 42.059 -0.908 0.000 1.102 403 L HN 0.839 nan 8.230 nan 0.000 0.470 404 G N 1.527 110.273 108.800 -0.090 0.000 2.148 404 G HA2 -0.311 3.649 3.960 0.000 0.000 0.203 404 G HA3 -0.311 3.649 3.960 0.000 0.000 0.203 404 G C 0.165 175.118 174.900 0.089 0.000 0.993 404 G CA 0.297 45.449 45.100 0.087 0.000 0.661 404 G HN 0.649 nan 8.290 nan 0.000 0.518 405 F N 1.432 121.334 119.950 -0.080 0.000 2.188 405 F HA 0.514 5.041 4.527 0.000 0.000 0.289 405 F C 2.485 178.262 175.800 -0.039 0.000 1.082 405 F CA 1.915 59.869 58.000 -0.077 0.000 1.282 405 F CB -0.452 38.469 39.000 -0.132 0.000 1.060 405 F HN 0.226 nan 8.300 nan 0.000 0.493 406 A N 1.046 123.823 122.820 -0.073 0.000 1.940 406 A HA -0.151 4.169 4.320 0.000 0.000 0.219 406 A C 2.297 179.813 177.584 -0.114 0.000 1.176 406 A CA 1.855 53.801 52.037 -0.150 0.000 0.631 406 A CB -1.298 17.754 19.000 0.087 0.000 0.814 406 A HN 0.592 nan 8.150 nan 0.000 0.446 407 L N 0.080 121.297 121.223 -0.011 0.000 1.988 407 L HA -0.068 4.272 4.340 0.000 0.000 0.207 407 L C -0.421 176.477 176.870 0.046 0.000 1.071 407 L CA 1.815 56.704 54.840 0.082 0.000 0.744 407 L CB -0.730 41.328 42.059 -0.001 0.000 0.893 407 L HN 0.254 nan 8.230 nan 0.000 0.433 408 P HA -0.147 nan 4.420 nan 0.000 0.217 408 P C 1.245 178.432 177.300 -0.189 0.000 1.150 408 P CA 1.961 65.008 63.100 -0.088 0.000 0.832 408 P CB -0.081 31.562 31.700 -0.096 0.000 0.787 409 A N 0.700 123.267 122.820 -0.421 0.000 1.930 409 A HA -0.025 4.295 4.320 0.000 0.000 0.217 409 A C 2.499 179.867 177.584 -0.361 0.000 1.175 409 A CA 1.967 53.652 52.037 -0.586 0.000 0.627 409 A CB -1.539 16.606 19.000 -1.425 0.000 0.815 409 A HN 0.215 nan 8.150 nan 0.000 0.443 410 A N -0.008 122.672 122.820 -0.233 0.000 1.978 410 A HA -0.123 4.198 4.320 0.000 0.000 0.220 410 A C 2.075 179.609 177.584 -0.082 0.000 1.170 410 A CA 1.631 53.595 52.037 -0.123 0.000 0.636 410 A CB -0.590 18.389 19.000 -0.037 0.000 0.810 410 A HN 0.530 nan 8.150 nan 0.000 0.448 411 I N -0.689 119.878 120.570 -0.004 0.000 2.286 411 I HA -0.123 4.047 4.170 0.000 0.000 0.245 411 I C 2.715 178.840 176.117 0.014 0.000 1.104 411 I CA 0.971 62.296 61.300 0.042 0.000 1.397 411 I CB -0.630 37.440 38.000 0.116 0.000 1.072 411 I HN 0.371 nan 8.210 nan 0.000 0.417 412 G N 0.669 109.446 108.800 -0.038 0.000 2.421 412 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 412 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 412 G C 1.726 176.655 174.900 0.048 0.000 1.171 412 G CA 0.914 46.020 45.100 0.009 0.000 0.775 412 G HN 0.220 nan 8.290 nan 0.000 0.543 413 V N 0.578 120.430 119.914 -0.103 0.000 2.295 413 V HA -0.232 3.888 4.120 0.000 0.000 0.246 413 V C 2.793 178.857 176.094 -0.050 0.000 1.049 413 V CA 2.341 64.560 62.300 -0.135 0.000 1.024 413 V CB -0.464 31.230 31.823 -0.214 0.000 0.648 413 V HN 0.436 nan 8.190 nan 0.000 0.447 414 Q N -0.331 119.446 119.800 -0.040 0.000 2.124 414 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 414 Q C 1.940 177.958 176.000 0.029 0.000 0.977 414 Q CA 1.763 57.550 55.803 -0.026 0.000 0.850 414 Q CB -0.542 28.164 28.738 -0.053 0.000 0.901 414 Q HN 0.514 nan 8.270 nan 0.000 0.429 415 L N -0.053 121.225 121.223 0.091 0.000 2.012 415 L HA -0.061 4.279 4.340 0.000 0.000 0.210 415 L C 2.043 179.052 176.870 0.232 0.000 1.073 415 L CA 2.318 57.263 54.840 0.174 0.000 0.748 415 L CB -1.060 41.144 42.059 0.242 0.000 0.891 415 L HN 0.269 nan 8.230 nan 0.000 0.431 416 A N -1.868 121.065 122.820 0.189 0.000 2.014 416 A HA -0.021 4.299 4.320 0.000 0.000 0.218 416 A C 1.081 178.635 177.584 -0.050 0.000 1.163 416 A CA 0.908 52.908 52.037 -0.062 0.000 0.652 416 A CB -0.200 18.535 19.000 -0.443 0.000 0.808 416 A HN 0.444 nan 8.150 nan 0.000 0.449 417 E N -0.434 119.753 120.200 -0.021 0.000 3.303 417 E HA 0.159 4.510 4.350 0.000 0.000 0.215 417 E C -2.193 174.398 176.600 -0.015 0.000 1.181 417 E CA -1.582 54.803 56.400 -0.024 0.000 0.998 417 E CB 1.009 30.691 29.700 -0.030 0.000 1.312 417 E HN 0.353 nan 8.360 nan 0.000 0.412 418 P HA -0.112 nan 4.420 nan 0.000 0.220 418 P C 0.659 177.949 177.300 -0.016 0.000 1.148 418 P CA 1.019 64.117 63.100 -0.002 0.000 0.803 418 P CB 0.584 32.291 31.700 0.011 0.000 0.782 419 E N -0.409 119.780 120.200 -0.019 0.000 2.474 419 E HA 0.096 4.446 4.350 0.000 0.000 0.195 419 E C 0.540 177.118 176.600 -0.035 0.000 1.039 419 E CA 0.121 56.507 56.400 -0.024 0.000 0.881 419 E CB 0.270 29.958 29.700 -0.020 0.000 0.970 419 E HN 0.419 nan 8.360 nan 0.000 0.486 420 R N 1.354 121.828 120.500 -0.043 0.000 2.393 420 R HA 0.244 4.584 4.340 0.000 0.000 0.315 420 R C -0.249 176.003 176.300 -0.081 0.000 0.952 420 R CA -0.792 55.272 56.100 -0.061 0.000 0.842 420 R CB 1.346 31.613 30.300 -0.055 0.000 1.163 420 R HN -0.143 nan 8.270 nan 0.000 0.450 421 Q N 2.463 122.202 119.800 -0.102 0.000 2.262 421 Q HA 0.100 4.440 4.340 0.000 0.000 0.272 421 Q C -0.846 175.051 176.000 -0.172 0.000 1.076 421 Q CA 0.125 55.854 55.803 -0.124 0.000 0.905 421 Q CB 0.912 29.579 28.738 -0.119 0.000 1.182 421 Q HN 0.400 nan 8.270 nan 0.000 0.390 422 V N 7.042 126.858 119.914 -0.164 0.000 2.432 422 V HA 0.335 4.455 4.120 0.000 0.000 0.275 422 V C 0.130 176.095 176.094 -0.215 0.000 1.043 422 V CA -0.339 61.852 62.300 -0.183 0.000 0.925 422 V CB 0.787 32.519 31.823 -0.153 0.000 0.985 422 V HN 0.707 nan 8.190 nan 0.000 0.466 423 I N 4.557 125.007 120.570 -0.199 0.000 2.382 423 I HA 0.585 4.756 4.170 0.000 0.000 0.285 423 I C 0.325 176.454 176.117 0.019 0.000 1.007 423 I CA -0.520 60.718 61.300 -0.103 0.000 1.142 423 I CB 1.626 39.606 38.000 -0.033 0.000 1.289 423 I HN 0.619 nan 8.210 nan 0.000 0.453 424 A N 6.901 129.712 122.820 -0.014 0.000 2.260 424 A HA 0.599 4.919 4.320 0.000 0.000 0.312 424 A C -0.218 177.465 177.584 0.165 0.000 1.321 424 A CA -0.414 51.681 52.037 0.097 0.000 0.928 424 A CB 0.449 19.525 19.000 0.126 0.000 1.158 424 A HN 0.494 nan 8.150 nan 0.000 0.542 425 V N 5.212 125.251 119.914 0.208 0.000 2.353 425 V HA 0.314 4.434 4.120 0.000 0.000 0.264 425 V C -0.060 176.153 176.094 0.197 0.000 1.049 425 V CA 0.221 62.649 62.300 0.213 0.000 0.896 425 V CB -0.172 31.839 31.823 0.314 0.000 1.025 425 V HN 0.702 nan 8.190 nan 0.000 0.475 426 I N 3.496 124.151 120.570 0.142 0.000 2.545 426 I HA 0.594 4.764 4.170 0.000 0.000 0.292 426 I C 0.955 177.115 176.117 0.072 0.000 1.040 426 I CA -0.536 60.838 61.300 0.122 0.000 1.068 426 I CB 2.051 40.114 38.000 0.104 0.000 1.251 426 I HN 0.639 nan 8.210 nan 0.000 0.424 427 G N 2.634 111.504 108.800 0.116 0.000 2.569 427 G HA2 0.062 4.022 3.960 0.000 0.000 0.249 427 G HA3 0.062 4.022 3.960 0.000 0.000 0.249 427 G C 0.799 175.732 174.900 0.055 0.000 1.216 427 G CA -0.266 44.901 45.100 0.112 0.000 0.845 427 G HN 0.831 nan 8.290 nan 0.000 0.568 428 D N 0.388 120.819 120.400 0.052 0.000 2.178 428 D HA -0.102 4.538 4.640 0.000 0.000 0.201 428 D C 2.095 178.598 176.300 0.337 0.000 0.980 428 D CA 1.309 55.359 54.000 0.082 0.000 0.842 428 D CB -0.703 40.255 40.800 0.264 0.000 0.948 428 D HN 0.463 nan 8.370 nan 0.000 0.472 429 G N 0.431 109.447 108.800 0.360 0.000 2.394 429 G HA2 -0.196 3.764 3.960 0.000 0.000 0.214 429 G HA3 -0.196 3.764 3.960 0.000 0.000 0.214 429 G C 1.853 177.085 174.900 0.554 0.000 1.176 429 G CA 0.882 46.317 45.100 0.558 0.000 0.786 429 G HN 0.341 nan 8.290 nan 0.000 0.533 430 S N 1.234 117.202 115.700 0.447 0.000 2.382 430 S HA 0.005 4.475 4.470 0.000 0.000 0.228 430 S C 2.763 177.599 174.600 0.393 0.000 1.027 430 S CA 1.046 59.503 58.200 0.429 0.000 0.991 430 S CB -0.361 62.973 63.200 0.222 0.000 0.823 430 S HN 0.578 nan 8.310 nan 0.000 0.469 431 A N 2.900 125.871 122.820 0.253 0.000 1.958 431 A HA -0.205 4.115 4.320 0.000 0.000 0.221 431 A C 1.839 179.568 177.584 0.242 0.000 1.178 431 A CA 1.647 53.794 52.037 0.183 0.000 0.642 431 A CB -0.618 18.417 19.000 0.058 0.000 0.816 431 A HN 0.520 nan 8.150 nan 0.000 0.453 432 N N -1.607 117.252 118.700 0.266 0.000 2.457 432 N HA -0.086 4.654 4.740 0.000 0.000 0.180 432 N C 1.308 176.851 175.510 0.055 0.000 1.050 432 N CA 1.097 54.229 53.050 0.138 0.000 0.906 432 N CB -0.368 38.152 38.487 0.055 0.000 0.968 432 N HN 0.679 nan 8.380 nan 0.000 0.445 433 Y N 1.155 121.521 120.300 0.111 0.000 2.242 433 Y HA -0.005 4.545 4.550 0.000 0.000 0.291 433 Y C 1.280 177.212 175.900 0.053 0.000 1.137 433 Y CA 0.834 58.980 58.100 0.076 0.000 1.181 433 Y CB 0.213 38.712 38.460 0.064 0.000 0.989 433 Y HN -0.100 nan 8.280 nan 0.000 0.527 434 S N -0.688 115.125 115.700 0.189 0.000 2.617 434 S HA 0.140 4.610 4.470 0.000 0.000 0.237 434 S C 0.977 175.599 174.600 0.036 0.000 1.142 434 S CA -0.316 57.938 58.200 0.090 0.000 1.167 434 S CB -0.016 63.226 63.200 0.069 0.000 1.068 434 S HN 0.207 nan 8.310 nan 0.000 0.470 435 I N 2.759 123.366 120.570 0.062 0.000 2.286 435 I HA -0.158 4.012 4.170 0.000 0.000 0.248 435 I C 2.277 178.365 176.117 -0.049 0.000 1.115 435 I CA 1.653 62.991 61.300 0.064 0.000 1.392 435 I CB -0.156 37.944 38.000 0.167 0.000 1.065 435 I HN 0.479 nan 8.210 nan 0.000 0.418 436 S N 0.410 116.026 115.700 -0.139 0.000 2.547 436 S HA 0.047 4.517 4.470 0.000 0.000 0.235 436 S C 2.090 176.440 174.600 -0.417 0.000 0.980 436 S CA 0.506 58.364 58.200 -0.570 0.000 0.941 436 S CB -0.762 62.244 63.200 -0.324 0.000 0.763 436 S HN 0.452 nan 8.310 nan 0.000 0.532 437 A N 1.980 124.689 122.820 -0.186 0.000 2.015 437 A HA 0.176 4.496 4.320 0.000 0.000 0.219 437 A C 2.112 179.655 177.584 -0.068 0.000 1.163 437 A CA 0.917 52.908 52.037 -0.075 0.000 0.646 437 A CB -0.764 18.209 19.000 -0.046 0.000 0.806 437 A HN 0.560 nan 8.150 nan 0.000 0.448 438 L N -2.470 118.647 121.223 -0.178 0.000 2.081 438 L HA -0.260 4.080 4.340 0.000 0.000 0.212 438 L C 2.440 179.336 176.870 0.043 0.000 1.080 438 L CA 1.831 56.597 54.840 -0.124 0.000 0.754 438 L CB -0.486 41.527 42.059 -0.077 0.000 0.893 438 L HN 0.768 nan 8.230 nan 0.000 0.433 439 W N 0.899 122.059 121.300 -0.234 0.000 2.338 439 W HA -0.245 4.415 4.660 0.000 0.000 0.304 439 W C 2.571 179.112 176.519 0.037 0.000 1.212 439 W CA 2.287 59.586 57.345 -0.077 0.000 1.264 439 W CB -0.371 28.967 29.460 -0.204 0.000 1.142 439 W HN -0.002 nan 8.180 nan 0.000 0.512 440 T N 0.391 115.078 114.554 0.222 0.000 2.788 440 T HA -0.194 4.156 4.350 0.000 0.000 0.268 440 T C 1.906 176.694 174.700 0.147 0.000 1.044 440 T CA 1.825 64.047 62.100 0.204 0.000 1.139 440 T CB -0.887 68.138 68.868 0.262 0.000 0.867 440 T HN 0.262 nan 8.240 nan 0.000 0.454 441 A N 1.138 124.032 122.820 0.123 0.000 1.969 441 A HA 0.261 4.581 4.320 0.000 0.000 0.218 441 A C 2.552 180.173 177.584 0.060 0.000 1.169 441 A CA 1.610 53.734 52.037 0.145 0.000 0.635 441 A CB -0.828 18.338 19.000 0.277 0.000 0.810 441 A HN 0.511 nan 8.150 nan 0.000 0.445 442 A N -1.259 121.538 122.820 -0.038 0.000 1.855 442 A HA -0.075 4.245 4.320 0.000 0.000 0.213 442 A C 2.102 179.534 177.584 -0.254 0.000 1.195 442 A CA 1.343 53.312 52.037 -0.114 0.000 0.610 442 A CB -0.447 18.483 19.000 -0.117 0.000 0.837 442 A HN 0.399 nan 8.150 nan 0.000 0.444 443 Q N -0.999 118.491 119.800 -0.518 0.000 2.135 443 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 443 Q C 0.913 176.546 176.000 -0.612 0.000 0.981 443 Q CA 1.544 56.913 55.803 -0.723 0.000 0.856 443 Q CB -0.363 27.614 28.738 -1.268 0.000 0.902 443 Q HN 0.876 nan 8.270 nan 0.000 0.425 444 Y N -0.344 119.837 120.300 -0.197 0.000 2.524 444 Y HA 0.160 4.710 4.550 0.000 0.000 0.266 444 Y C 0.291 176.151 175.900 -0.067 0.000 1.180 444 Y CA -0.568 57.468 58.100 -0.106 0.000 1.244 444 Y CB -0.062 38.352 38.460 -0.076 0.000 1.125 444 Y HN 0.102 nan 8.280 nan 0.000 0.524 445 N N 1.553 120.261 118.700 0.014 0.000 2.686 445 N HA -0.226 4.515 4.740 0.000 0.000 0.261 445 N C -1.104 174.433 175.510 0.044 0.000 1.001 445 N CA 0.325 53.383 53.050 0.015 0.000 0.764 445 N CB -1.082 37.401 38.487 -0.007 0.000 0.898 445 N HN 0.396 nan 8.380 nan 0.000 0.544 446 I N 1.277 121.886 120.570 0.066 0.000 2.291 446 I HA 0.220 4.390 4.170 0.000 0.000 0.290 446 I C -1.530 174.601 176.117 0.024 0.000 1.050 446 I CA -1.907 59.427 61.300 0.056 0.000 1.245 446 I CB 1.202 39.251 38.000 0.081 0.000 1.405 446 I HN 0.085 nan 8.210 nan 0.000 0.478 447 P HA 0.066 nan 4.420 nan 0.000 0.237 447 P C -0.175 177.055 177.300 -0.117 0.000 1.723 447 P CA -0.204 62.872 63.100 -0.040 0.000 0.882 447 P CB -0.559 31.122 31.700 -0.032 0.000 1.810 448 T N 1.512 115.947 114.554 -0.199 0.000 2.901 448 T HA 0.253 4.603 4.350 0.000 0.000 0.301 448 T C 0.829 175.173 174.700 -0.593 0.000 1.012 448 T CA 0.107 61.939 62.100 -0.447 0.000 1.135 448 T CB 0.650 69.092 68.868 -0.709 0.000 0.936 448 T HN 0.088 nan 8.240 nan 0.000 0.539 449 I N 3.193 123.477 120.570 -0.476 0.000 2.342 449 I HA 0.302 4.472 4.170 0.000 0.000 0.291 449 I C -0.606 175.241 176.117 -0.450 0.000 1.010 449 I CA -0.477 60.619 61.300 -0.339 0.000 1.308 449 I CB 0.566 38.482 38.000 -0.140 0.000 1.400 449 I HN 0.508 nan 8.210 nan 0.000 0.488 450 F N 5.835 125.801 119.950 0.026 0.000 2.347 450 F HA 0.338 4.865 4.527 0.000 0.000 0.366 450 F C 0.018 175.826 175.800 0.014 0.000 1.107 450 F CA -0.796 57.217 58.000 0.022 0.000 1.058 450 F CB 1.117 40.131 39.000 0.024 0.000 1.236 450 F HN 0.031 nan 8.300 nan 0.000 0.456 451 V N 5.569 125.575 119.914 0.153 0.000 2.320 451 V HA 0.216 4.336 4.120 0.000 0.000 0.265 451 V C 0.261 176.382 176.094 0.045 0.000 1.048 451 V CA -0.494 61.857 62.300 0.085 0.000 0.865 451 V CB 0.257 32.121 31.823 0.069 0.000 1.043 451 V HN 0.390 nan 8.190 nan 0.000 0.474 452 I N 6.133 126.688 120.570 -0.024 0.000 2.363 452 I HA 0.249 4.419 4.170 0.000 0.000 0.292 452 I C 0.364 176.409 176.117 -0.121 0.000 1.075 452 I CA -0.073 61.128 61.300 -0.164 0.000 1.333 452 I CB 1.060 38.791 38.000 -0.450 0.000 1.415 452 I HN 0.458 nan 8.210 nan 0.000 0.502 453 M N 5.731 125.288 119.600 -0.072 0.000 2.319 453 M HA 0.133 4.613 4.480 0.000 0.000 0.343 453 M C 0.207 176.501 176.300 -0.010 0.000 1.364 453 M CA -0.079 55.203 55.300 -0.031 0.000 1.292 453 M CB -0.553 32.051 32.600 0.007 0.000 1.432 453 M HN 0.338 nan 8.290 nan 0.000 0.448 454 N N 3.901 122.605 118.700 0.007 0.000 2.521 454 N HA 0.106 4.846 4.740 0.000 0.000 0.236 454 N C 0.190 175.745 175.510 0.075 0.000 1.067 454 N CA -0.043 53.052 53.050 0.076 0.000 0.939 454 N CB 0.387 38.960 38.487 0.145 0.000 1.201 454 N HN 0.457 nan 8.380 nan 0.000 0.511 455 N N 2.301 121.051 118.700 0.084 0.000 2.214 455 N HA 0.146 4.887 4.740 0.000 0.000 0.214 455 N C 1.030 176.584 175.510 0.074 0.000 1.132 455 N CA 0.260 53.353 53.050 0.073 0.000 0.856 455 N CB 0.058 38.594 38.487 0.081 0.000 1.020 455 N HN 0.476 nan 8.380 nan 0.000 0.509 456 G N -1.380 107.469 108.800 0.081 0.000 2.184 456 G HA2 -0.262 3.698 3.960 0.000 0.000 0.264 456 G HA3 -0.262 3.698 3.960 0.000 0.000 0.264 456 G C 0.064 174.976 174.900 0.021 0.000 0.975 456 G CA 0.808 45.940 45.100 0.053 0.000 0.642 456 G HN 0.779 nan 8.290 nan 0.000 0.536 457 T N -1.480 113.103 114.554 0.047 0.000 2.843 457 T HA 0.528 4.878 4.350 0.000 0.000 0.302 457 T C -1.227 173.554 174.700 0.136 0.000 1.232 457 T CA -0.548 61.571 62.100 0.031 0.000 1.009 457 T CB 0.846 69.762 68.868 0.081 0.000 1.254 457 T HN 0.268 nan 8.240 nan 0.000 0.504 458 Y N 2.623 123.012 120.300 0.148 0.000 2.570 458 Y HA 0.293 4.843 4.550 0.000 0.000 0.336 458 Y C 1.678 177.688 175.900 0.184 0.000 1.284 458 Y CA -0.590 57.614 58.100 0.174 0.000 1.761 458 Y CB -0.382 38.184 38.460 0.176 0.000 1.724 458 Y HN 0.824 nan 8.280 nan 0.000 0.455 459 G N 1.251 110.243 108.800 0.320 0.000 2.440 459 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 459 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 459 G C 1.785 176.863 174.900 0.298 0.000 1.154 459 G CA 0.901 46.158 45.100 0.262 0.000 0.767 459 G HN 0.618 nan 8.290 nan 0.000 0.552 460 A N 0.918 123.920 122.820 0.304 0.000 1.969 460 A HA 0.368 4.688 4.320 0.000 0.000 0.218 460 A C 2.759 180.636 177.584 0.488 0.000 1.169 460 A CA 1.963 54.210 52.037 0.350 0.000 0.635 460 A CB -0.562 18.620 19.000 0.305 0.000 0.810 460 A HN 0.712 nan 8.150 nan 0.000 0.445 461 A N 0.073 123.129 122.820 0.393 0.000 1.898 461 A HA -0.143 4.177 4.320 0.000 0.000 0.216 461 A C 2.226 180.019 177.584 0.349 0.000 1.181 461 A CA 1.409 53.663 52.037 0.362 0.000 0.620 461 A CB -0.450 18.721 19.000 0.285 0.000 0.819 461 A HN 0.534 nan 8.150 nan 0.000 0.442 462 R N -2.184 118.505 120.500 0.314 0.000 2.096 462 R HA -0.208 4.132 4.340 0.000 0.000 0.235 462 R C 2.021 178.468 176.300 0.246 0.000 1.127 462 R CA 1.617 57.864 56.100 0.244 0.000 0.968 462 R CB -0.383 30.044 30.300 0.212 0.000 0.861 462 R HN 0.799 nan 8.270 nan 0.000 0.440 463 W N 0.623 121.989 121.300 0.111 0.000 2.355 463 W HA -0.151 4.509 4.660 0.000 0.000 0.309 463 W C 1.565 178.068 176.519 -0.026 0.000 1.206 463 W CA 1.228 58.584 57.345 0.018 0.000 1.284 463 W CB -0.384 29.056 29.460 -0.032 0.000 1.145 463 W HN -0.088 nan 8.180 nan 0.000 0.502 464 F N 0.738 120.822 119.950 0.223 0.000 2.171 464 F HA -0.144 4.383 4.527 0.000 0.000 0.300 464 F C 2.549 178.298 175.800 -0.085 0.000 1.090 464 F CA 2.040 60.040 58.000 -0.001 0.000 1.293 464 F CB -1.221 37.873 39.000 0.156 0.000 1.013 464 F HN -0.011 nan 8.300 nan 0.000 0.486 465 A N 0.051 122.971 122.820 0.168 0.000 1.940 465 A HA -0.098 4.222 4.320 0.000 0.000 0.219 465 A C 2.570 180.141 177.584 -0.022 0.000 1.176 465 A CA 1.811 53.897 52.037 0.081 0.000 0.631 465 A CB -1.582 17.479 19.000 0.101 0.000 0.814 465 A HN 0.408 nan 8.150 nan 0.000 0.446 466 G N -0.221 108.516 108.800 -0.105 0.000 2.433 466 G HA2 -0.147 3.813 3.960 0.000 0.000 0.216 466 G HA3 -0.147 3.813 3.960 0.000 0.000 0.216 466 G C 1.658 176.399 174.900 -0.266 0.000 1.186 466 G CA 1.992 46.980 45.100 -0.187 0.000 0.779 466 G HN 1.078 nan 8.290 nan 0.000 0.543 467 V N -0.973 118.669 119.914 -0.452 0.000 2.667 467 V HA 0.159 4.280 4.120 0.000 0.000 0.252 467 V C 2.408 178.389 176.094 -0.189 0.000 1.065 467 V CA 1.291 63.327 62.300 -0.440 0.000 1.083 467 V CB -0.323 31.035 31.823 -0.774 0.000 0.692 467 V HN 0.280 nan 8.190 nan 0.000 0.468 468 L N 0.086 121.256 121.223 -0.087 0.000 2.591 468 L HA 0.271 4.612 4.340 0.000 0.000 0.228 468 L C 1.045 177.908 176.870 -0.013 0.000 1.133 468 L CA 0.441 55.280 54.840 -0.001 0.000 0.880 468 L CB -0.690 41.411 42.059 0.070 0.000 1.033 468 L HN 0.456 nan 8.230 nan 0.000 0.450 469 E N -0.263 119.910 120.200 -0.044 0.000 2.360 469 E HA -0.225 4.126 4.350 0.000 0.000 0.238 469 E C 0.168 176.764 176.600 -0.006 0.000 1.186 469 E CA 0.269 56.650 56.400 -0.032 0.000 0.719 469 E CB -1.108 28.574 29.700 -0.030 0.000 1.236 469 E HN 0.472 nan 8.360 nan 0.000 0.386 470 A N 1.538 124.361 122.820 0.006 0.000 2.260 470 A HA 0.486 4.806 4.320 0.000 0.000 0.314 470 A C 0.112 177.711 177.584 0.025 0.000 1.257 470 A CA -0.402 51.649 52.037 0.023 0.000 0.871 470 A CB 0.723 19.747 19.000 0.041 0.000 1.166 470 A HN 0.230 nan 8.150 nan 0.000 0.522 471 E N 1.484 121.698 120.200 0.023 0.000 2.281 471 E HA 0.361 4.711 4.350 0.000 0.000 0.262 471 E C -0.562 176.056 176.600 0.029 0.000 0.933 471 E CA -1.214 55.200 56.400 0.025 0.000 0.809 471 E CB 0.916 30.626 29.700 0.017 0.000 1.242 471 E HN 0.670 nan 8.360 nan 0.000 0.418 472 N N -0.190 118.529 118.700 0.031 0.000 2.727 472 N HA -0.151 4.589 4.740 0.000 0.000 0.249 472 N C -1.009 174.524 175.510 0.039 0.000 1.048 472 N CA 0.460 53.529 53.050 0.032 0.000 0.714 472 N CB -1.309 37.194 38.487 0.025 0.000 0.959 472 N HN 0.128 nan 8.380 nan 0.000 0.544 473 V N 1.667 121.611 119.914 0.050 0.000 2.406 473 V HA 0.328 4.449 4.120 0.000 0.000 0.272 473 V C -0.922 175.213 176.094 0.068 0.000 1.043 473 V CA -1.016 61.321 62.300 0.061 0.000 0.915 473 V CB 1.239 33.108 31.823 0.077 0.000 0.988 473 V HN 0.143 nan 8.190 nan 0.000 0.466 474 P HA 0.400 nan 4.420 nan 0.000 0.278 474 P C 0.646 178.001 177.300 0.091 0.000 1.258 474 P CA 0.288 63.427 63.100 0.065 0.000 0.811 474 P CB 1.173 32.904 31.700 0.052 0.000 1.063 475 G N 0.234 109.085 108.800 0.086 0.000 2.147 475 G HA2 -0.224 3.736 3.960 0.000 0.000 0.244 475 G HA3 -0.224 3.736 3.960 0.000 0.000 0.244 475 G C 0.494 175.504 174.900 0.183 0.000 1.005 475 G CA 0.273 45.443 45.100 0.117 0.000 0.713 475 G HN 0.487 nan 8.290 nan 0.000 0.515 476 L N -0.527 120.784 121.223 0.147 0.000 2.567 476 L HA 0.279 4.619 4.340 0.000 0.000 0.225 476 L C 0.160 177.039 176.870 0.015 0.000 1.119 476 L CA 0.087 55.052 54.840 0.207 0.000 0.871 476 L CB 0.072 42.249 42.059 0.197 0.000 1.036 476 L HN 0.082 nan 8.230 nan 0.000 0.459 477 D N 0.517 120.871 120.400 -0.077 0.000 2.256 477 D HA 0.327 4.967 4.640 0.000 0.000 0.246 477 D C -0.063 176.097 176.300 -0.235 0.000 1.042 477 D CA -0.067 53.854 54.000 -0.132 0.000 0.841 477 D CB 2.952 43.724 40.800 -0.046 0.000 1.223 477 D HN -0.200 nan 8.370 nan 0.000 0.470 478 V N -0.112 119.648 119.914 -0.257 0.000 2.361 478 V HA 0.405 4.525 4.120 0.000 0.000 0.252 478 V C -2.541 173.495 176.094 -0.096 0.000 0.986 478 V CA -1.466 60.702 62.300 -0.220 0.000 1.033 478 V CB 0.467 32.100 31.823 -0.318 0.000 1.282 478 V HN 0.295 nan 8.190 nan 0.000 0.514 479 P HA 0.477 nan 4.420 nan 0.000 0.276 479 P C 0.763 178.027 177.300 -0.061 0.000 1.252 479 P CA 0.849 63.922 63.100 -0.044 0.000 0.802 479 P CB 1.484 33.163 31.700 -0.034 0.000 1.035 480 G N 0.456 109.220 108.800 -0.060 0.000 2.212 480 G HA2 -0.181 3.779 3.960 0.000 0.000 0.255 480 G HA3 -0.181 3.779 3.960 0.000 0.000 0.255 480 G C -0.272 174.547 174.900 -0.135 0.000 1.062 480 G CA -0.234 44.818 45.100 -0.080 0.000 0.815 480 G HN 0.478 nan 8.290 nan 0.000 0.497 481 I N 0.439 120.889 120.570 -0.200 0.000 2.389 481 I HA 0.321 4.492 4.170 0.000 0.000 0.288 481 I C -0.720 175.108 176.117 -0.480 0.000 0.999 481 I CA -0.842 60.215 61.300 -0.405 0.000 1.129 481 I CB 1.862 39.492 38.000 -0.616 0.000 1.288 481 I HN 0.056 nan 8.210 nan 0.000 0.444 482 D N 5.877 126.045 120.400 -0.387 0.000 2.443 482 D HA 0.247 4.888 4.640 0.000 0.000 0.221 482 D C 0.429 176.576 176.300 -0.255 0.000 1.097 482 D CA -0.231 53.628 54.000 -0.236 0.000 0.865 482 D CB 0.646 41.377 40.800 -0.115 0.000 1.034 482 D HN 0.261 nan 8.370 nan 0.000 0.511 483 F N 2.144 122.105 119.950 0.019 0.000 2.325 483 F HA 0.080 4.607 4.527 0.000 0.000 0.299 483 F C 2.256 178.073 175.800 0.028 0.000 1.090 483 F CA 0.471 58.488 58.000 0.027 0.000 1.392 483 F CB -0.024 38.999 39.000 0.040 0.000 1.053 483 F HN 0.278 nan 8.300 nan 0.000 0.521 484 R N 0.175 120.782 120.500 0.179 0.000 2.096 484 R HA -0.080 4.260 4.340 0.000 0.000 0.235 484 R C 2.414 178.753 176.300 0.065 0.000 1.127 484 R CA 1.201 57.369 56.100 0.114 0.000 0.968 484 R CB -0.719 29.633 30.300 0.087 0.000 0.861 484 R HN 0.247 nan 8.270 nan 0.000 0.440 485 A N 0.909 123.744 122.820 0.025 0.000 1.969 485 A HA -0.058 4.262 4.320 0.000 0.000 0.218 485 A C 2.096 179.665 177.584 -0.025 0.000 1.169 485 A CA 0.938 52.967 52.037 -0.013 0.000 0.635 485 A CB -0.363 18.611 19.000 -0.044 0.000 0.810 485 A HN 0.160 nan 8.150 nan 0.000 0.445 486 L N -0.845 120.376 121.223 -0.003 0.000 2.027 486 L HA -0.168 4.172 4.340 0.000 0.000 0.206 486 L C 3.148 180.061 176.870 0.071 0.000 1.074 486 L CA 1.029 55.878 54.840 0.015 0.000 0.745 486 L CB -0.651 41.459 42.059 0.086 0.000 0.898 486 L HN 0.429 nan 8.230 nan 0.000 0.433 487 A N 0.277 123.167 122.820 0.118 0.000 1.873 487 A HA -0.308 4.012 4.320 0.000 0.000 0.218 487 A C 2.391 180.036 177.584 0.101 0.000 1.193 487 A CA 2.309 54.423 52.037 0.128 0.000 0.629 487 A CB -0.598 18.478 19.000 0.126 0.000 0.826 487 A HN 0.344 nan 8.150 nan 0.000 0.447 488 K N -0.826 119.608 120.400 0.058 0.000 2.063 488 K HA -0.146 4.175 4.320 0.000 0.000 0.208 488 K C 2.018 178.621 176.600 0.005 0.000 1.048 488 K CA 1.511 57.818 56.287 0.033 0.000 0.928 488 K CB -0.580 31.928 32.500 0.014 0.000 0.713 488 K HN 0.420 nan 8.250 nan 0.000 0.442 489 G N -0.531 108.228 108.800 -0.069 0.000 2.448 489 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 489 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 489 G C 0.715 175.486 174.900 -0.215 0.000 1.127 489 G CA 0.711 45.691 45.100 -0.200 0.000 0.766 489 G HN 0.331 nan 8.290 nan 0.000 0.552 490 Y N -0.000 120.370 120.300 0.117 0.000 2.524 490 Y HA 0.392 4.942 4.550 0.000 0.000 0.266 490 Y C 1.842 177.830 175.900 0.147 0.000 1.180 490 Y CA -0.833 57.388 58.100 0.202 0.000 1.244 490 Y CB 0.287 38.866 38.460 0.198 0.000 1.125 490 Y HN 0.253 nan 8.280 nan 0.000 0.524 491 G N 0.354 109.270 108.800 0.194 0.000 2.147 491 G HA2 -0.232 3.729 3.960 0.000 0.000 0.244 491 G HA3 -0.232 3.729 3.960 0.000 0.000 0.244 491 G C -0.318 174.638 174.900 0.093 0.000 1.005 491 G CA 0.224 45.391 45.100 0.112 0.000 0.713 491 G HN 0.119 nan 8.290 nan 0.000 0.515 492 V N 0.657 120.645 119.914 0.123 0.000 2.472 492 V HA 0.443 4.563 4.120 0.000 0.000 0.290 492 V C 0.878 177.037 176.094 0.107 0.000 1.037 492 V CA -0.598 61.777 62.300 0.124 0.000 0.908 492 V CB 1.898 33.817 31.823 0.161 0.000 0.985 492 V HN 0.480 nan 8.190 nan 0.000 0.454 493 Q N 2.699 122.558 119.800 0.098 0.000 2.289 493 Q HA 0.460 4.800 4.340 0.000 0.000 0.273 493 Q C -0.299 175.759 176.000 0.097 0.000 1.029 493 Q CA -0.234 55.617 55.803 0.081 0.000 0.896 493 Q CB 0.896 29.673 28.738 0.064 0.000 1.182 493 Q HN 0.912 nan 8.270 nan 0.000 0.385 494 A N 5.782 128.653 122.820 0.084 0.000 2.318 494 A HA 0.632 4.952 4.320 0.000 0.000 0.317 494 A C -1.107 176.522 177.584 0.075 0.000 1.159 494 A CA -0.683 51.410 52.037 0.093 0.000 0.799 494 A CB 0.729 19.786 19.000 0.094 0.000 1.194 494 A HN 0.785 nan 8.150 nan 0.000 0.479 495 L N 1.664 122.933 121.223 0.076 0.000 2.303 495 L HA 0.660 5.000 4.340 0.000 0.000 0.266 495 L C 0.220 177.128 176.870 0.064 0.000 1.011 495 L CA -0.974 53.903 54.840 0.060 0.000 0.818 495 L CB 2.159 44.249 42.059 0.051 0.000 1.326 495 L HN 0.875 nan 8.230 nan 0.000 0.435 496 K N 0.559 120.990 120.400 0.052 0.000 2.221 496 K HA 0.912 5.232 4.320 0.000 0.000 0.243 496 K C -1.059 175.563 176.600 0.037 0.000 0.968 496 K CA -0.790 55.527 56.287 0.050 0.000 0.846 496 K CB 2.209 34.738 32.500 0.047 0.000 1.141 496 K HN 0.569 nan 8.250 nan 0.000 0.434 497 A N 2.286 125.125 122.820 0.032 0.000 2.855 497 A HA 0.252 4.572 4.320 0.000 0.000 0.313 497 A C -0.842 176.750 177.584 0.014 0.000 1.173 497 A CA -0.735 51.313 52.037 0.019 0.000 0.753 497 A CB 0.380 19.387 19.000 0.012 0.000 1.200 497 A HN 0.799 nan 8.150 nan 0.000 0.442 498 D N 0.949 121.357 120.400 0.014 0.000 2.347 498 D HA 0.028 4.668 4.640 0.000 0.000 0.213 498 D C 0.470 176.770 176.300 0.000 0.000 0.985 498 D CA 1.446 55.452 54.000 0.009 0.000 0.879 498 D CB 0.292 41.099 40.800 0.012 0.000 0.919 498 D HN 0.798 nan 8.370 nan 0.000 0.526 499 N N -1.501 117.200 118.700 0.001 0.000 3.106 499 N HA 0.053 4.793 4.740 0.000 0.000 0.253 499 N C 0.233 175.744 175.510 0.002 0.000 1.506 499 N CA -0.741 52.308 53.050 -0.001 0.000 0.876 499 N CB 0.818 39.307 38.487 0.003 0.000 1.452 499 N HN -0.217 nan 8.380 nan 0.000 0.542 500 L N -0.054 121.172 121.223 0.005 0.000 2.079 500 L HA 0.019 4.360 4.340 0.000 0.000 0.210 500 L C 1.559 178.436 176.870 0.010 0.000 1.081 500 L CA 2.041 56.886 54.840 0.009 0.000 0.752 500 L CB -0.887 41.182 42.059 0.016 0.000 0.896 500 L HN 0.623 nan 8.230 nan 0.000 0.433 501 E N -0.511 119.696 120.200 0.011 0.000 2.107 501 E HA -0.199 4.151 4.350 0.000 0.000 0.191 501 E C 2.181 178.788 176.600 0.012 0.000 0.982 501 E CA 1.119 57.526 56.400 0.012 0.000 0.809 501 E CB -0.244 29.463 29.700 0.012 0.000 0.756 501 E HN 0.681 nan 8.360 nan 0.000 0.459 502 Q N 0.211 120.018 119.800 0.011 0.000 2.167 502 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 502 Q C 2.244 178.252 176.000 0.014 0.000 0.970 502 Q CA 0.599 56.410 55.803 0.013 0.000 0.855 502 Q CB -0.100 28.647 28.738 0.014 0.000 0.911 502 Q HN 0.109 nan 8.270 nan 0.000 0.438 503 L N 1.309 122.538 121.223 0.010 0.000 1.994 503 L HA -0.209 4.131 4.340 0.000 0.000 0.208 503 L C 1.948 178.825 176.870 0.012 0.000 1.071 503 L CA 1.884 56.729 54.840 0.008 0.000 0.745 503 L CB -0.276 41.781 42.059 -0.002 0.000 0.892 503 L HN -0.014 nan 8.230 nan 0.000 0.431 504 K N -0.687 119.721 120.400 0.013 0.000 2.044 504 K HA -0.158 4.162 4.320 0.000 0.000 0.210 504 K C 1.972 178.582 176.600 0.016 0.000 1.049 504 K CA 1.447 57.744 56.287 0.016 0.000 0.927 504 K CB -0.823 31.687 32.500 0.015 0.000 0.713 504 K HN 0.586 nan 8.250 nan 0.000 0.443 505 G N 0.567 109.376 108.800 0.015 0.000 2.418 505 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 505 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 505 G C 1.547 176.457 174.900 0.017 0.000 1.158 505 G CA 0.940 46.049 45.100 0.015 0.000 0.771 505 G HN 0.202 nan 8.290 nan 0.000 0.545 506 S N 0.443 116.155 115.700 0.020 0.000 2.368 506 S HA 0.037 4.507 4.470 0.000 0.000 0.224 506 S C 2.281 176.895 174.600 0.023 0.000 1.029 506 S CA 0.638 58.852 58.200 0.024 0.000 0.988 506 S CB -0.209 63.007 63.200 0.027 0.000 0.838 506 S HN 0.294 nan 8.310 nan 0.000 0.462 507 L N 1.284 122.520 121.223 0.022 0.000 2.056 507 L HA -0.148 4.192 4.340 0.000 0.000 0.207 507 L C 2.830 179.710 176.870 0.017 0.000 1.078 507 L CA 1.268 56.121 54.840 0.022 0.000 0.749 507 L CB -0.509 41.566 42.059 0.027 0.000 0.901 507 L HN 0.369 nan 8.230 nan 0.000 0.433 508 Q N 0.290 120.100 119.800 0.016 0.000 2.061 508 Q HA -0.294 4.047 4.340 0.000 0.000 0.204 508 Q C 2.139 178.145 176.000 0.010 0.000 0.984 508 Q CA 2.090 57.901 55.803 0.012 0.000 0.846 508 Q CB 0.019 28.764 28.738 0.012 0.000 0.902 508 Q HN 0.459 nan 8.270 nan 0.000 0.421 509 E N -0.857 119.351 120.200 0.013 0.000 2.072 509 E HA -0.164 4.186 4.350 0.000 0.000 0.191 509 E C 1.760 178.368 176.600 0.013 0.000 0.985 509 E CA 0.921 57.329 56.400 0.014 0.000 0.801 509 E CB -0.117 29.594 29.700 0.018 0.000 0.750 509 E HN 0.467 nan 8.360 nan 0.000 0.452 510 A N 0.738 123.566 122.820 0.014 0.000 1.929 510 A HA -0.088 4.233 4.320 0.000 0.000 0.216 510 A C 2.137 179.717 177.584 -0.006 0.000 1.176 510 A CA 0.737 52.780 52.037 0.009 0.000 0.628 510 A CB -0.515 18.493 19.000 0.013 0.000 0.816 510 A HN 0.279 nan 8.150 nan 0.000 0.444 511 L N -0.289 120.930 121.223 -0.006 0.000 2.083 511 L HA -0.146 4.194 4.340 0.000 0.000 0.209 511 L C 2.470 179.331 176.870 -0.015 0.000 1.083 511 L CA 1.522 56.353 54.840 -0.015 0.000 0.752 511 L CB -0.231 41.822 42.059 -0.009 0.000 0.899 511 L HN 0.312 nan 8.230 nan 0.000 0.433 512 S N -0.538 115.159 115.700 -0.007 0.000 2.527 512 S HA 0.191 4.661 4.470 0.000 0.000 0.222 512 S C 0.959 175.556 174.600 -0.004 0.000 0.985 512 S CA 0.137 58.334 58.200 -0.005 0.000 0.921 512 S CB -0.105 63.094 63.200 -0.001 0.000 0.772 512 S HN 0.360 nan 8.310 nan 0.000 0.529 513 A N 1.476 124.294 122.820 -0.003 0.000 2.445 513 A HA 0.335 4.655 4.320 0.000 0.000 0.242 513 A C 1.000 178.582 177.584 -0.004 0.000 1.075 513 A CA -0.013 52.024 52.037 0.001 0.000 0.777 513 A CB 0.303 19.308 19.000 0.008 0.000 1.013 513 A HN 0.119 nan 8.150 nan 0.000 0.493 514 K N 1.085 121.485 120.400 -0.001 0.000 2.334 514 K HA 0.203 4.523 4.320 0.000 0.000 0.195 514 K C 1.071 177.671 176.600 0.000 0.000 1.045 514 K CA 0.968 57.253 56.287 -0.003 0.000 1.004 514 K CB 0.342 32.841 32.500 -0.002 0.000 0.837 514 K HN 0.784 nan 8.250 nan 0.000 0.510 515 G N 1.021 109.825 108.800 0.007 0.000 2.552 515 G HA2 0.385 4.345 3.960 0.000 0.000 0.318 515 G HA3 0.385 4.345 3.960 0.000 0.000 0.318 515 G C -2.691 172.226 174.900 0.028 0.000 1.240 515 G CA -1.620 43.490 45.100 0.017 0.000 1.002 515 G HN -0.146 nan 8.290 nan 0.000 0.493 516 P HA 0.263 nan 4.420 nan 0.000 0.271 516 P C -0.719 176.660 177.300 0.132 0.000 1.216 516 P CA -0.079 63.082 63.100 0.102 0.000 0.776 516 P CB 1.497 33.337 31.700 0.233 0.000 0.881 517 V N 4.522 124.510 119.914 0.122 0.000 2.656 517 V HA 0.380 4.501 4.120 0.000 0.000 0.307 517 V C 0.107 176.345 176.094 0.240 0.000 1.051 517 V CA -0.826 61.557 62.300 0.140 0.000 0.893 517 V CB 2.074 33.937 31.823 0.066 0.000 0.999 517 V HN 0.451 nan 8.190 nan 0.000 0.426 518 L N 5.936 127.305 121.223 0.242 0.000 2.313 518 L HA 0.680 5.020 4.340 0.000 0.000 0.283 518 L C -0.941 176.019 176.870 0.150 0.000 1.013 518 L CA -0.241 54.750 54.840 0.251 0.000 0.816 518 L CB 1.094 43.283 42.059 0.216 0.000 1.236 518 L HN 0.575 nan 8.230 nan 0.000 0.419 519 I N 4.626 125.271 120.570 0.124 0.000 2.339 519 I HA 0.319 4.489 4.170 0.000 0.000 0.290 519 I C -0.160 175.994 176.117 0.062 0.000 0.994 519 I CA -0.454 60.894 61.300 0.081 0.000 1.191 519 I CB 1.687 39.721 38.000 0.058 0.000 1.343 519 I HN 0.626 nan 8.210 nan 0.000 0.458 520 E N 6.325 126.567 120.200 0.071 0.000 2.130 520 E HA 0.350 4.700 4.350 0.000 0.000 0.284 520 E C -1.266 175.360 176.600 0.044 0.000 1.018 520 E CA -0.515 55.923 56.400 0.063 0.000 0.817 520 E CB 1.257 31.046 29.700 0.149 0.000 1.078 520 E HN 0.366 nan 8.360 nan 0.000 0.396 521 V N 3.804 123.725 119.914 0.013 0.000 2.394 521 V HA 0.148 4.268 4.120 0.000 0.000 0.282 521 V C 0.068 176.167 176.094 0.008 0.000 1.031 521 V CA -0.685 61.615 62.300 0.001 0.000 0.881 521 V CB 1.658 33.464 31.823 -0.029 0.000 0.982 521 V HN 0.618 nan 8.190 nan 0.000 0.451 522 S N 3.845 119.551 115.700 0.010 0.000 2.405 522 S HA 0.368 4.838 4.470 0.000 0.000 0.291 522 S C 0.472 175.062 174.600 -0.017 0.000 1.137 522 S CA -0.440 57.766 58.200 0.010 0.000 1.061 522 S CB 0.288 63.493 63.200 0.010 0.000 1.001 522 S HN 0.978 nan 8.310 nan 0.000 0.507 523 T N -0.400 114.146 114.554 -0.014 0.000 2.918 523 T HA 0.604 4.954 4.350 0.000 0.000 0.286 523 T C 0.242 174.919 174.700 -0.038 0.000 1.026 523 T CA -1.048 61.030 62.100 -0.036 0.000 1.031 523 T CB 1.029 69.885 68.868 -0.021 0.000 1.046 523 T HN 0.397 nan 8.240 nan 0.000 0.479 524 V N 1.412 121.274 119.914 -0.087 0.000 2.585 524 V HA 0.467 4.588 4.120 0.000 0.000 0.296 524 V C 0.593 176.688 176.094 0.000 0.000 1.035 524 V CA -0.567 61.681 62.300 -0.085 0.000 1.084 524 V CB -0.377 31.317 31.823 -0.215 0.000 0.953 524 V HN 1.175 nan 8.190 nan 0.000 0.483 525 S N 4.175 119.888 115.700 0.021 0.000 2.592 525 S HA 0.489 4.959 4.470 0.000 0.000 0.271 525 S C -1.294 173.350 174.600 0.074 0.000 1.326 525 S CA -0.706 57.527 58.200 0.055 0.000 1.024 525 S CB 0.920 64.151 63.200 0.052 0.000 0.921 525 S HN 0.793 nan 8.310 nan 0.000 0.527 526 P HA 0.180 nan 4.420 nan 0.000 0.236 526 P C 0.135 177.495 177.300 0.100 0.000 1.177 526 P CA 0.074 63.242 63.100 0.113 0.000 0.773 526 P CB 0.007 31.793 31.700 0.142 0.000 0.878 527 V N 0.000 119.966 119.914 0.086 0.000 2.409 527 V HA 0.000 4.120 4.120 0.000 0.000 0.244 527 V CA 0.000 62.343 62.300 0.072 0.000 1.235 527 V CB 0.000 31.864 31.823 0.068 0.000 1.184 527 V HN 0.000 nan 8.190 nan 0.000 0.556