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 1q6z_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNALPF 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 IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS 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 0.000 177.659 177.584 0.124 0.000 1.274 2 A CA 0.000 52.104 52.037 0.112 0.000 0.836 2 A CB 0.000 19.089 19.000 0.149 0.000 0.831 3 S N 0.344 116.130 115.700 0.143 0.000 2.645 3 S HA 0.483 4.953 4.470 0.000 0.000 0.266 3 S C 1.181 175.917 174.600 0.227 0.000 1.258 3 S CA 0.064 58.366 58.200 0.170 0.000 0.990 3 S CB 1.040 64.346 63.200 0.177 0.000 0.967 3 S HN 1.437 nan 8.310 nan 0.000 0.556 4 V N 1.570 121.625 119.914 0.234 0.000 2.343 4 V HA -0.195 3.925 4.120 0.000 0.000 0.247 4 V C 2.589 178.960 176.094 0.461 0.000 1.051 4 V CA 2.276 64.734 62.300 0.263 0.000 1.036 4 V CB -1.418 30.483 31.823 0.130 0.000 0.654 4 V HN 1.042 nan 8.190 nan 0.000 0.451 5 H N 0.865 120.213 119.070 0.463 0.000 2.265 5 H HA -0.180 4.376 4.556 0.000 0.000 0.295 5 H C 2.304 177.834 175.328 0.336 0.000 1.084 5 H CA 2.378 58.712 56.048 0.476 0.000 1.261 5 H CB -0.548 29.408 29.762 0.323 0.000 1.360 5 H HN 0.414 nan 8.280 nan 0.000 0.487 6 G N -0.763 108.309 108.800 0.454 0.000 2.402 6 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 6 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 6 G C 1.828 176.870 174.900 0.236 0.000 1.162 6 G CA 1.231 46.512 45.100 0.301 0.000 0.777 6 G HN 0.460 nan 8.290 nan 0.000 0.539 7 T N 0.896 115.616 114.554 0.277 0.000 2.821 7 T HA -0.094 4.256 4.350 0.000 0.000 0.267 7 T C 2.648 177.541 174.700 0.321 0.000 1.046 7 T CA 1.735 64.041 62.100 0.344 0.000 1.139 7 T CB -0.410 68.653 68.868 0.325 0.000 0.871 7 T HN 0.282 nan 8.240 nan 0.000 0.454 8 T N 0.893 115.602 114.554 0.258 0.000 2.737 8 T HA -0.060 4.290 4.350 0.000 0.000 0.265 8 T C 1.638 176.334 174.700 -0.007 0.000 1.038 8 T CA 1.073 63.279 62.100 0.177 0.000 1.144 8 T CB -0.472 68.568 68.868 0.286 0.000 0.866 8 T HN 0.391 nan 8.240 nan 0.000 0.434 9 Y N 1.305 121.548 120.300 -0.095 0.000 2.274 9 Y HA -0.060 4.490 4.550 0.000 0.000 0.290 9 Y C 2.598 178.411 175.900 -0.145 0.000 1.145 9 Y CA 1.076 58.996 58.100 -0.300 0.000 1.203 9 Y CB -0.280 37.825 38.460 -0.591 0.000 0.984 9 Y HN 0.178 nan 8.280 nan 0.000 0.533 10 E N 0.405 120.604 120.200 -0.001 0.000 2.051 10 E HA -0.200 4.151 4.350 0.000 0.000 0.192 10 E C 2.070 178.510 176.600 -0.267 0.000 0.991 10 E CA 1.058 57.321 56.400 -0.229 0.000 0.799 10 E CB -0.572 28.842 29.700 -0.477 0.000 0.748 10 E HN 0.340 nan 8.360 nan 0.000 0.449 11 L N 0.226 121.433 121.223 -0.027 0.000 2.012 11 L HA -0.147 4.193 4.340 0.000 0.000 0.210 11 L C 2.169 179.103 176.870 0.107 0.000 1.073 11 L CA 1.763 56.719 54.840 0.194 0.000 0.748 11 L CB -0.621 41.645 42.059 0.346 0.000 0.891 11 L HN 0.281 nan 8.230 nan 0.000 0.431 12 L N -0.567 120.707 121.223 0.084 0.000 2.012 12 L HA -0.233 4.107 4.340 0.000 0.000 0.210 12 L C 2.866 179.805 176.870 0.115 0.000 1.073 12 L CA 1.877 56.773 54.840 0.093 0.000 0.748 12 L CB -0.687 41.412 42.059 0.066 0.000 0.891 12 L HN 0.377 nan 8.230 nan 0.000 0.431 13 R N 0.192 120.796 120.500 0.173 0.000 2.081 13 R HA -0.147 4.193 4.340 0.000 0.000 0.235 13 R C 2.375 178.670 176.300 -0.008 0.000 1.131 13 R CA 1.186 57.318 56.100 0.053 0.000 0.960 13 R CB -0.088 30.274 30.300 0.103 0.000 0.856 13 R HN 0.245 nan 8.270 nan 0.000 0.436 14 R N 0.184 120.675 120.500 -0.015 0.000 2.189 14 R HA -0.040 4.300 4.340 0.000 0.000 0.223 14 R C 1.458 177.795 176.300 0.062 0.000 1.092 14 R CA 0.786 56.890 56.100 0.007 0.000 0.989 14 R CB -0.007 30.290 30.300 -0.006 0.000 0.876 14 R HN 0.394 nan 8.270 nan 0.000 0.457 15 Q N -0.497 119.342 119.800 0.066 0.000 2.246 15 Q HA 0.143 4.483 4.340 0.000 0.000 0.202 15 Q C 0.661 176.688 176.000 0.045 0.000 0.883 15 Q CA 0.399 56.244 55.803 0.070 0.000 0.952 15 Q CB 1.030 29.801 28.738 0.055 0.000 1.078 15 Q HN 0.525 nan 8.270 nan 0.000 0.493 16 G N 1.248 110.058 108.800 0.018 0.000 2.157 16 G HA2 -0.261 3.699 3.960 0.000 0.000 0.248 16 G HA3 -0.261 3.699 3.960 0.000 0.000 0.248 16 G C 0.185 175.067 174.900 -0.031 0.000 0.979 16 G CA -0.144 44.953 45.100 -0.004 0.000 0.650 16 G HN 0.351 nan 8.290 nan 0.000 0.529 17 I N 1.474 122.016 120.570 -0.047 0.000 2.365 17 I HA 0.446 4.616 4.170 0.000 0.000 0.291 17 I C 0.670 176.541 176.117 -0.409 0.000 1.004 17 I CA 0.087 61.342 61.300 -0.075 0.000 1.311 17 I CB 1.367 39.386 38.000 0.031 0.000 1.401 17 I HN 0.250 nan 8.210 nan 0.000 0.491 18 D N 1.516 121.637 120.400 -0.466 0.000 2.538 18 D HA 0.095 4.735 4.640 0.000 0.000 0.241 18 D C -0.130 175.841 176.300 -0.549 0.000 1.297 18 D CA -0.047 53.411 54.000 -0.904 0.000 0.804 18 D CB 0.543 41.026 40.800 -0.528 0.000 1.122 18 D HN 0.289 nan 8.370 nan 0.000 0.519 19 T N 0.036 114.451 114.554 -0.232 0.000 2.916 19 T HA 0.574 4.924 4.350 0.000 0.000 0.298 19 T C -0.985 173.697 174.700 -0.030 0.000 1.031 19 T CA -0.621 61.354 62.100 -0.208 0.000 0.993 19 T CB 2.583 71.158 68.868 -0.488 0.000 1.045 19 T HN -0.126 nan 8.240 nan 0.000 0.454 20 V N 3.603 123.518 119.914 0.002 0.000 2.378 20 V HA 0.484 4.604 4.120 0.000 0.000 0.288 20 V C -0.956 174.907 176.094 -0.385 0.000 1.016 20 V CA -0.863 61.555 62.300 0.197 0.000 0.840 20 V CB 0.666 32.854 31.823 0.609 0.000 0.994 20 V HN 0.804 nan 8.190 nan 0.000 0.431 21 F N 3.236 123.148 119.950 -0.064 0.000 2.411 21 F HA 0.756 5.283 4.527 0.000 0.000 0.355 21 F C 0.964 176.632 175.800 -0.220 0.000 1.117 21 F CA -0.013 57.851 58.000 -0.227 0.000 1.139 21 F CB 1.589 40.509 39.000 -0.133 0.000 1.120 21 F HN 0.595 nan 8.300 nan 0.000 0.493 22 G N 2.488 111.135 108.800 -0.255 0.000 2.692 22 G HA2 0.327 4.287 3.960 0.000 0.000 0.291 22 G HA3 0.327 4.287 3.960 0.000 0.000 0.291 22 G C -2.171 172.793 174.900 0.107 0.000 1.423 22 G CA -0.882 44.192 45.100 -0.044 0.000 0.843 22 G HN 0.517 nan 8.290 nan 0.000 0.486 23 N N 1.069 119.891 118.700 0.203 0.000 2.461 23 N HA 0.460 5.200 4.740 0.000 0.000 0.284 23 N C -2.814 172.830 175.510 0.223 0.000 1.049 23 N CA -1.276 51.897 53.050 0.205 0.000 0.889 23 N CB 3.404 41.969 38.487 0.130 0.000 1.365 23 N HN 0.299 nan 8.380 nan 0.000 0.499 24 P HA 0.426 nan 4.420 nan 0.000 0.276 24 P C -0.379 176.959 177.300 0.065 0.000 1.252 24 P CA -0.075 63.113 63.100 0.148 0.000 0.802 24 P CB 1.792 33.522 31.700 0.051 0.000 1.035 25 G N -0.891 107.952 108.800 0.072 0.000 2.649 25 G HA2 0.365 4.325 3.960 0.000 0.000 0.290 25 G HA3 0.365 4.325 3.960 0.000 0.000 0.290 25 G C 0.667 175.614 174.900 0.078 0.000 1.426 25 G CA -0.024 45.012 45.100 -0.107 0.000 0.794 25 G HN 0.400 nan 8.290 nan 0.000 0.483 26 S N -0.116 115.614 115.700 0.050 0.000 2.402 26 S HA -0.135 4.335 4.470 0.000 0.000 0.229 26 S C 1.730 176.556 174.600 0.376 0.000 1.021 26 S CA 1.571 59.882 58.200 0.186 0.000 0.974 26 S CB -0.244 63.029 63.200 0.123 0.000 0.800 26 S HN 0.429 nan 8.310 nan 0.000 0.484 27 N N 2.621 121.588 118.700 0.445 0.000 2.289 27 N HA 0.100 4.840 4.740 0.000 0.000 0.184 27 N C 1.448 177.236 175.510 0.463 0.000 1.016 27 N CA 1.286 54.628 53.050 0.486 0.000 0.872 27 N CB -0.575 38.107 38.487 0.326 0.000 0.973 27 N HN 0.688 nan 8.380 nan 0.000 0.433 28 A N -0.018 123.023 122.820 0.368 0.000 2.308 28 A HA 0.169 4.489 4.320 0.000 0.000 0.217 28 A C 1.836 179.541 177.584 0.201 0.000 1.216 28 A CA -0.201 52.016 52.037 0.300 0.000 0.864 28 A CB -0.059 19.122 19.000 0.303 0.000 0.902 28 A HN 0.075 nan 8.150 nan 0.000 0.499 29 L N 0.380 121.711 121.223 0.179 0.000 2.079 29 L HA -0.083 4.257 4.340 0.000 0.000 0.210 29 L C -0.850 176.015 176.870 -0.009 0.000 1.081 29 L CA 2.236 57.126 54.840 0.084 0.000 0.752 29 L CB -1.622 40.519 42.059 0.137 0.000 0.896 29 L HN 0.202 nan 8.230 nan 0.000 0.433 30 P HA -0.151 nan 4.420 nan 0.000 0.229 30 P C 1.462 178.715 177.300 -0.078 0.000 1.160 30 P CA 0.820 63.853 63.100 -0.111 0.000 0.777 30 P CB -0.070 31.500 31.700 -0.215 0.000 0.814 31 F N 0.110 119.759 119.950 -0.502 0.000 2.219 31 F HA 0.036 4.563 4.527 0.000 0.000 0.294 31 F C 1.696 177.408 175.800 -0.148 0.000 1.086 31 F CA 1.217 58.734 58.000 -0.805 0.000 1.330 31 F CB -0.632 37.667 39.000 -1.169 0.000 1.047 31 F HN -0.281 nan 8.300 nan 0.000 0.495 32 L N 0.763 121.886 121.223 -0.166 0.000 2.341 32 L HA -0.029 4.311 4.340 0.000 0.000 0.214 32 L C 1.134 177.959 176.870 -0.076 0.000 1.115 32 L CA 0.216 54.968 54.840 -0.147 0.000 0.820 32 L CB -0.792 41.191 42.059 -0.125 0.000 0.944 32 L HN 0.034 nan 8.230 nan 0.000 0.452 33 K N -0.010 120.359 120.400 -0.052 0.000 2.336 33 K HA -0.052 4.268 4.320 0.000 0.000 0.262 33 K C -0.253 176.318 176.600 -0.047 0.000 0.992 33 K CA -0.176 56.075 56.287 -0.061 0.000 0.927 33 K CB 0.342 32.792 32.500 -0.082 0.000 0.956 33 K HN -0.031 nan 8.250 nan 0.000 0.495 34 D N 0.024 120.372 120.400 -0.086 0.000 2.751 34 D HA -0.226 4.414 4.640 0.000 0.000 0.233 34 D C -0.670 175.544 176.300 -0.142 0.000 1.149 34 D CA 0.859 54.787 54.000 -0.120 0.000 0.682 34 D CB -1.484 39.184 40.800 -0.220 0.000 1.068 34 D HN 0.498 nan 8.370 nan 0.000 0.429 35 F N 1.117 120.888 119.950 -0.300 0.000 2.578 35 F HA 0.226 4.753 4.527 0.000 0.000 0.381 35 F C -1.499 174.037 175.800 -0.441 0.000 1.069 35 F CA -1.546 56.180 58.000 -0.458 0.000 1.231 35 F CB 0.460 39.272 39.000 -0.313 0.000 1.086 35 F HN -0.175 nan 8.300 nan 0.000 0.564 36 P HA 0.043 nan 4.420 nan 0.000 0.268 36 P C 0.139 177.230 177.300 -0.347 0.000 1.205 36 P CA 0.088 62.780 63.100 -0.681 0.000 0.771 36 P CB 0.550 31.746 31.700 -0.840 0.000 0.858 37 E N 1.302 121.406 120.200 -0.160 0.000 2.268 37 E HA -0.167 4.183 4.350 0.000 0.000 0.195 37 E C 0.931 177.523 176.600 -0.014 0.000 0.995 37 E CA 0.995 57.366 56.400 -0.049 0.000 0.836 37 E CB -0.054 29.620 29.700 -0.042 0.000 0.763 37 E HN 0.613 nan 8.360 nan 0.000 0.491 38 D N -0.171 120.225 120.400 -0.007 0.000 2.340 38 D HA -0.072 4.569 4.640 0.000 0.000 0.220 38 D C 0.219 176.511 176.300 -0.014 0.000 1.039 38 D CA 0.146 54.145 54.000 -0.001 0.000 0.866 38 D CB -0.089 40.702 40.800 -0.015 0.000 0.913 38 D HN -0.034 nan 8.370 nan 0.000 0.523 39 F N 0.956 120.759 119.950 -0.244 0.000 2.440 39 F HA 0.455 4.982 4.527 0.000 0.000 0.328 39 F C 0.921 176.736 175.800 0.025 0.000 1.070 39 F CA -1.170 56.697 58.000 -0.221 0.000 1.011 39 F CB 1.351 39.996 39.000 -0.591 0.000 1.226 39 F HN -0.329 nan 8.300 nan 0.000 0.491 40 R N 1.379 122.018 120.500 0.232 0.000 2.562 40 R HA 0.375 4.715 4.340 0.000 0.000 0.298 40 R C -1.941 174.532 176.300 0.288 0.000 0.961 40 R CA -0.691 55.542 56.100 0.222 0.000 0.881 40 R CB 1.180 31.459 30.300 -0.035 0.000 1.159 40 R HN 0.716 nan 8.270 nan 0.000 0.450 41 Y N 5.262 125.598 120.300 0.059 0.000 2.330 41 Y HA 0.405 4.955 4.550 0.000 0.000 0.336 41 Y C -0.734 175.021 175.900 -0.242 0.000 1.036 41 Y CA -0.810 57.193 58.100 -0.162 0.000 1.125 41 Y CB 1.071 39.263 38.460 -0.446 0.000 1.194 41 Y HN 0.406 nan 8.280 nan 0.000 0.469 42 I N 8.380 128.527 120.570 -0.704 0.000 2.359 42 I HA 0.157 4.328 4.170 0.000 0.000 0.284 42 I C -0.777 175.103 176.117 -0.394 0.000 1.018 42 I CA -0.796 60.102 61.300 -0.671 0.000 1.173 42 I CB 0.915 38.463 38.000 -0.753 0.000 1.326 42 I HN 0.515 nan 8.210 nan 0.000 0.462 43 L N 6.731 128.030 121.223 0.127 0.000 2.349 43 L HA 0.700 5.040 4.340 0.000 0.000 0.275 43 L C 0.075 177.167 176.870 0.370 0.000 1.115 43 L CA 0.352 55.396 54.840 0.340 0.000 0.820 43 L CB 1.063 43.489 42.059 0.613 0.000 1.135 43 L HN 0.705 nan 8.230 nan 0.000 0.445 44 A N 4.851 127.819 122.820 0.246 0.000 2.469 44 A HA 0.585 4.905 4.320 0.000 0.000 0.299 44 A C 0.275 177.925 177.584 0.110 0.000 1.098 44 A CA -0.637 51.534 52.037 0.224 0.000 0.737 44 A CB 1.131 20.220 19.000 0.148 0.000 1.312 44 A HN 0.838 nan 8.150 nan 0.000 0.414 45 L N -0.250 120.985 121.223 0.021 0.000 2.509 45 L HA 0.171 4.511 4.340 0.000 0.000 0.222 45 L C 0.865 177.710 176.870 -0.042 0.000 1.123 45 L CA 0.768 55.550 54.840 -0.096 0.000 0.856 45 L CB 0.102 42.016 42.059 -0.242 0.000 0.985 45 L HN 0.708 nan 8.230 nan 0.000 0.456 46 Q N -0.491 119.309 119.800 -0.001 0.000 2.435 46 Q HA 0.135 4.475 4.340 0.000 0.000 0.282 46 Q C -0.437 175.588 176.000 0.041 0.000 1.020 46 Q CA -0.251 55.564 55.803 0.020 0.000 0.820 46 Q CB 2.371 31.118 28.738 0.015 0.000 1.436 46 Q HN -0.000 nan 8.270 nan 0.000 0.395 47 E N 0.973 121.205 120.200 0.053 0.000 2.208 47 E HA -0.024 4.326 4.350 0.000 0.000 0.193 47 E C 1.474 178.104 176.600 0.051 0.000 0.988 47 E CA 1.282 57.719 56.400 0.061 0.000 0.828 47 E CB 0.068 29.812 29.700 0.074 0.000 0.763 47 E HN 0.648 nan 8.360 nan 0.000 0.478 48 A N 0.312 123.162 122.820 0.049 0.000 1.940 48 A HA -0.223 4.097 4.320 0.000 0.000 0.219 48 A C 2.236 179.842 177.584 0.036 0.000 1.176 48 A CA 1.411 53.477 52.037 0.049 0.000 0.631 48 A CB -0.896 18.143 19.000 0.065 0.000 0.814 48 A HN 0.423 nan 8.150 nan 0.000 0.446 49 C N -1.440 117.879 119.300 0.032 0.000 2.466 49 C HA -0.011 4.449 4.460 0.000 0.000 0.278 49 C C 2.663 177.662 174.990 0.014 0.000 1.288 49 C CA 0.692 59.720 59.018 0.017 0.000 1.722 49 C CB -1.317 26.434 27.740 0.019 0.000 2.017 49 C HN 0.449 nan 8.230 nan 0.000 0.488 50 V N 1.217 121.153 119.914 0.037 0.000 2.252 50 V HA -0.241 3.880 4.120 0.000 0.000 0.249 50 V C 2.458 178.545 176.094 -0.011 0.000 1.056 50 V CA 2.418 64.746 62.300 0.047 0.000 1.022 50 V CB -0.836 31.030 31.823 0.073 0.000 0.641 50 V HN 0.471 nan 8.190 nan 0.000 0.445 51 V N 0.650 120.563 119.914 -0.003 0.000 2.427 51 V HA -0.120 4.000 4.120 0.000 0.000 0.248 51 V C 2.609 178.668 176.094 -0.058 0.000 1.051 51 V CA 1.983 64.269 62.300 -0.024 0.000 1.048 51 V CB -1.326 30.510 31.823 0.022 0.000 0.666 51 V HN 0.623 nan 8.190 nan 0.000 0.456 52 G N 0.015 108.789 108.800 -0.042 0.000 2.418 52 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 52 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 52 G C 1.576 176.354 174.900 -0.202 0.000 1.158 52 G CA 0.982 46.030 45.100 -0.086 0.000 0.771 52 G HN 0.483 nan 8.290 nan 0.000 0.545 53 I N 1.390 121.842 120.570 -0.197 0.000 2.179 53 I HA -0.179 3.991 4.170 0.000 0.000 0.242 53 I C 3.308 179.114 176.117 -0.518 0.000 1.088 53 I CA 1.055 62.200 61.300 -0.259 0.000 1.357 53 I CB -0.263 37.663 38.000 -0.124 0.000 1.051 53 I HN 0.235 nan 8.210 nan 0.000 0.409 54 A N 0.227 122.593 122.820 -0.756 0.000 1.940 54 A HA -0.297 4.023 4.320 0.000 0.000 0.219 54 A C 2.053 179.392 177.584 -0.409 0.000 1.176 54 A CA 2.262 53.664 52.037 -1.059 0.000 0.631 54 A CB -0.649 17.945 19.000 -0.677 0.000 0.814 54 A HN 0.455 nan 8.150 nan 0.000 0.446 55 D N -0.414 119.855 120.400 -0.218 0.000 2.084 55 D HA -0.070 4.570 4.640 0.000 0.000 0.194 55 D C 2.116 178.366 176.300 -0.084 0.000 0.990 55 D CA 1.724 55.690 54.000 -0.056 0.000 0.826 55 D CB -0.701 40.146 40.800 0.079 0.000 0.971 55 D HN 0.286 nan 8.370 nan 0.000 0.453 56 G N -0.887 107.796 108.800 -0.196 0.000 2.440 56 G HA2 -0.330 3.630 3.960 0.000 0.000 0.218 56 G HA3 -0.330 3.630 3.960 0.000 0.000 0.218 56 G C 1.705 176.472 174.900 -0.222 0.000 1.154 56 G CA 1.051 45.971 45.100 -0.302 0.000 0.767 56 G HN 0.385 nan 8.290 nan 0.000 0.552 57 Y N 1.926 122.057 120.300 -0.280 0.000 2.145 57 Y HA -0.027 4.523 4.550 0.000 0.000 0.286 57 Y C 2.958 178.799 175.900 -0.099 0.000 1.145 57 Y CA 1.578 59.574 58.100 -0.174 0.000 1.148 57 Y CB -0.381 37.968 38.460 -0.185 0.000 0.981 57 Y HN 0.253 nan 8.280 nan 0.000 0.507 58 A N 0.007 122.817 122.820 -0.016 0.000 1.902 58 A HA -0.229 4.091 4.320 0.000 0.000 0.217 58 A C 2.122 179.675 177.584 -0.052 0.000 1.181 58 A CA 1.885 53.913 52.037 -0.016 0.000 0.623 58 A CB -0.733 18.294 19.000 0.044 0.000 0.818 58 A HN 0.653 nan 8.150 nan 0.000 0.443 59 Q N -0.802 118.970 119.800 -0.047 0.000 2.084 59 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 59 Q C 2.424 178.443 176.000 0.031 0.000 0.978 59 Q CA 1.407 57.225 55.803 0.025 0.000 0.844 59 Q CB -0.328 28.446 28.738 0.059 0.000 0.898 59 Q HN 0.687 nan 8.270 nan 0.000 0.426 60 A N 1.019 123.777 122.820 -0.102 0.000 1.897 60 A HA -0.126 4.194 4.320 0.000 0.000 0.215 60 A C 2.213 179.737 177.584 -0.099 0.000 1.181 60 A CA 1.531 53.540 52.037 -0.048 0.000 0.620 60 A CB -0.392 18.526 19.000 -0.136 0.000 0.821 60 A HN 0.421 nan 8.150 nan 0.000 0.443 61 S N -1.249 114.311 115.700 -0.234 0.000 2.489 61 S HA 0.010 4.480 4.470 0.000 0.000 0.228 61 S C 0.865 175.399 174.600 -0.110 0.000 0.995 61 S CA 0.528 58.580 58.200 -0.247 0.000 0.934 61 S CB -0.340 62.575 63.200 -0.474 0.000 0.771 61 S HN 0.519 nan 8.310 nan 0.000 0.522 62 R N 1.054 121.519 120.500 -0.059 0.000 3.422 62 R HA -0.162 4.178 4.340 0.000 0.000 0.267 62 R C -0.522 175.776 176.300 -0.004 0.000 1.074 62 R CA 1.239 57.334 56.100 -0.008 0.000 0.718 62 R CB -2.165 28.139 30.300 0.007 0.000 1.157 62 R HN 0.871 nan 8.270 nan 0.000 0.440 63 K N -1.570 118.827 120.400 -0.005 0.000 2.556 63 K HA 0.575 4.895 4.320 0.000 0.000 0.274 63 K C -3.134 173.506 176.600 0.068 0.000 0.966 63 K CA -2.192 54.113 56.287 0.029 0.000 0.865 63 K CB 2.538 35.054 32.500 0.028 0.000 1.444 63 K HN -0.305 nan 8.250 nan 0.000 0.433 64 P HA 0.091 nan 4.420 nan 0.000 0.269 64 P C -1.094 176.335 177.300 0.215 0.000 1.209 64 P CA -0.218 62.962 63.100 0.133 0.000 0.776 64 P CB 0.866 32.640 31.700 0.123 0.000 0.876 65 A N 2.479 125.440 122.820 0.235 0.000 2.350 65 A HA 0.672 4.992 4.320 0.000 0.000 0.324 65 A C -1.405 176.387 177.584 0.347 0.000 1.118 65 A CA -0.572 51.674 52.037 0.348 0.000 0.783 65 A CB 0.704 19.860 19.000 0.260 0.000 1.236 65 A HN 0.473 nan 8.150 nan 0.000 0.457 66 F N 2.076 122.212 119.950 0.309 0.000 2.458 66 F HA 0.757 5.284 4.527 0.000 0.000 0.336 66 F C -0.700 175.283 175.800 0.306 0.000 1.114 66 F CA -0.747 57.408 58.000 0.258 0.000 0.987 66 F CB 1.016 40.162 39.000 0.243 0.000 1.130 66 F HN 0.429 nan 8.300 nan 0.000 0.458 67 I N 4.670 125.037 120.570 -0.339 0.000 2.569 67 I HA 0.342 4.512 4.170 0.000 0.000 0.296 67 I C -1.200 174.738 176.117 -0.298 0.000 1.028 67 I CA -0.857 60.370 61.300 -0.123 0.000 1.082 67 I CB 2.286 40.255 38.000 -0.051 0.000 1.264 67 I HN 0.579 nan 8.210 nan 0.000 0.429 68 N N 5.872 124.583 118.700 0.018 0.000 2.410 68 N HA 0.668 5.408 4.740 0.000 0.000 0.287 68 N C -1.697 173.895 175.510 0.137 0.000 1.044 68 N CA -0.383 52.715 53.050 0.080 0.000 0.881 68 N CB 1.222 39.916 38.487 0.344 0.000 1.405 68 N HN 0.462 nan 8.380 nan 0.000 0.490 69 L N 1.142 122.425 121.223 0.100 0.000 2.279 69 L HA 0.491 4.831 4.340 0.000 0.000 0.262 69 L C -0.544 176.431 176.870 0.175 0.000 1.019 69 L CA -1.236 53.691 54.840 0.144 0.000 0.823 69 L CB 1.579 43.712 42.059 0.124 0.000 1.358 69 L HN 0.612 nan 8.230 nan 0.000 0.432 70 H N 0.490 119.622 119.070 0.103 0.000 2.641 70 H HA 0.396 4.952 4.556 0.000 0.000 0.295 70 H C 0.190 175.574 175.328 0.093 0.000 1.070 70 H CA 0.751 56.860 56.048 0.101 0.000 1.257 70 H CB 0.834 30.653 29.762 0.095 0.000 1.393 70 H HN 0.702 nan 8.280 nan 0.000 0.464 71 S N 2.761 118.245 115.700 -0.361 0.000 3.118 71 S HA -0.343 4.127 4.470 0.000 0.000 0.631 71 S C 1.612 176.152 174.600 -0.101 0.000 2.944 71 S CA 1.216 59.221 58.200 -0.325 0.000 3.398 71 S CB -1.358 61.449 63.200 -0.655 0.000 0.312 71 S HN 1.142 nan 8.310 nan 0.000 1.625 72 A N 0.199 122.975 122.820 -0.074 0.000 1.897 72 A HA 0.401 4.721 4.320 0.000 0.000 0.215 72 A C 2.557 180.142 177.584 0.002 0.000 1.181 72 A CA 2.175 54.202 52.037 -0.017 0.000 0.620 72 A CB -1.369 17.618 19.000 -0.022 0.000 0.821 72 A HN 1.699 nan 8.150 nan 0.000 0.443 73 A N -0.351 122.481 122.820 0.019 0.000 1.898 73 A HA 0.162 4.483 4.320 0.000 0.000 0.216 73 A C 2.372 180.001 177.584 0.075 0.000 1.181 73 A CA 1.841 53.912 52.037 0.057 0.000 0.620 73 A CB -1.302 17.755 19.000 0.095 0.000 0.819 73 A HN 0.663 nan 8.150 nan 0.000 0.442 74 G N -1.100 107.764 108.800 0.107 0.000 2.402 74 G HA2 -0.122 3.838 3.960 0.000 0.000 0.216 74 G HA3 -0.122 3.838 3.960 0.000 0.000 0.216 74 G C 1.574 176.527 174.900 0.089 0.000 1.162 74 G CA 1.618 46.789 45.100 0.119 0.000 0.777 74 G HN 0.416 nan 8.290 nan 0.000 0.539 75 T N 1.088 115.693 114.554 0.084 0.000 2.684 75 T HA -0.080 4.270 4.350 0.000 0.000 0.267 75 T C 2.502 177.206 174.700 0.007 0.000 1.036 75 T CA 1.591 63.734 62.100 0.072 0.000 1.148 75 T CB -0.695 68.225 68.868 0.087 0.000 0.863 75 T HN 0.355 nan 8.240 nan 0.000 0.436 76 G N 2.065 110.864 108.800 -0.003 0.000 2.440 76 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 76 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 76 G C 1.617 176.521 174.900 0.005 0.000 1.154 76 G CA 0.762 45.852 45.100 -0.016 0.000 0.767 76 G HN 0.392 nan 8.290 nan 0.000 0.552 77 N N 1.050 119.767 118.700 0.029 0.000 2.364 77 N HA -0.026 4.714 4.740 0.000 0.000 0.183 77 N C 2.014 177.547 175.510 0.038 0.000 1.022 77 N CA 1.017 54.090 53.050 0.038 0.000 0.883 77 N CB -0.200 38.317 38.487 0.050 0.000 0.965 77 N HN 0.350 nan 8.380 nan 0.000 0.438 78 A N -0.458 122.382 122.820 0.033 0.000 2.275 78 A HA 0.202 4.522 4.320 0.000 0.000 0.212 78 A C 1.961 179.554 177.584 0.015 0.000 1.201 78 A CA -0.090 51.967 52.037 0.033 0.000 0.843 78 A CB -0.138 18.890 19.000 0.045 0.000 0.873 78 A HN 0.126 nan 8.150 nan 0.000 0.492 79 M N -0.741 118.855 119.600 -0.006 0.000 2.319 79 M HA -0.033 4.447 4.480 0.000 0.000 0.265 79 M C 2.233 178.521 176.300 -0.020 0.000 1.068 79 M CA 1.251 56.532 55.300 -0.031 0.000 1.118 79 M CB -0.235 32.329 32.600 -0.060 0.000 1.395 79 M HN 0.531 nan 8.290 nan 0.000 0.435 80 G N 0.191 108.989 108.800 -0.003 0.000 2.422 80 G HA2 -0.154 3.806 3.960 0.000 0.000 0.218 80 G HA3 -0.154 3.806 3.960 0.000 0.000 0.218 80 G C 1.611 176.513 174.900 0.003 0.000 1.146 80 G CA 0.955 46.052 45.100 -0.006 0.000 0.769 80 G HN 0.523 nan 8.290 nan 0.000 0.547 81 A N 0.560 123.397 122.820 0.028 0.000 1.933 81 A HA 0.110 4.430 4.320 0.000 0.000 0.218 81 A C 2.393 180.006 177.584 0.049 0.000 1.175 81 A CA 1.155 53.224 52.037 0.053 0.000 0.628 81 A CB -0.360 18.678 19.000 0.062 0.000 0.814 81 A HN 0.359 nan 8.150 nan 0.000 0.444 82 L N -0.469 120.776 121.223 0.036 0.000 2.201 82 L HA -0.128 4.212 4.340 0.000 0.000 0.212 82 L C 2.871 179.780 176.870 0.066 0.000 1.105 82 L CA 1.225 56.098 54.840 0.054 0.000 0.775 82 L CB -0.372 41.704 42.059 0.028 0.000 0.913 82 L HN 0.543 nan 8.230 nan 0.000 0.440 83 S N 0.358 116.069 115.700 0.019 0.000 2.368 83 S HA -0.187 4.283 4.470 0.000 0.000 0.225 83 S C 1.864 176.486 174.600 0.038 0.000 1.030 83 S CA 1.550 59.760 58.200 0.017 0.000 0.999 83 S CB -0.172 63.007 63.200 -0.035 0.000 0.844 83 S HN 0.452 nan 8.310 nan 0.000 0.459 84 N N 1.848 120.533 118.700 -0.025 0.000 2.084 84 N HA -0.003 4.737 4.740 0.000 0.000 0.190 84 N C 2.023 177.497 175.510 -0.060 0.000 1.030 84 N CA 1.432 54.414 53.050 -0.113 0.000 0.849 84 N CB -0.989 37.364 38.487 -0.223 0.000 1.012 84 N HN 0.553 nan 8.380 nan 0.000 0.423 85 A N 1.357 124.192 122.820 0.025 0.000 1.940 85 A HA -0.175 4.145 4.320 0.000 0.000 0.219 85 A C 2.069 179.701 177.584 0.080 0.000 1.176 85 A CA 1.108 53.179 52.037 0.058 0.000 0.631 85 A CB -1.070 17.987 19.000 0.096 0.000 0.814 85 A HN 0.600 nan 8.150 nan 0.000 0.446 86 W N 1.061 122.336 121.300 -0.043 0.000 2.355 86 W HA -0.203 4.457 4.660 0.000 0.000 0.309 86 W C 1.430 177.880 176.519 -0.115 0.000 1.206 86 W CA 2.051 59.373 57.345 -0.038 0.000 1.284 86 W CB -0.429 29.010 29.460 -0.034 0.000 1.145 86 W HN 0.404 nan 8.180 nan 0.000 0.502 87 N N 0.330 119.009 118.700 -0.034 0.000 2.309 87 N HA -0.145 4.595 4.740 0.000 0.000 0.182 87 N C 1.784 177.080 175.510 -0.356 0.000 1.018 87 N CA 1.998 54.926 53.050 -0.204 0.000 0.876 87 N CB -0.536 37.911 38.487 -0.066 0.000 0.972 87 N HN 0.132 nan 8.380 nan 0.000 0.434 88 S N -1.265 114.288 115.700 -0.244 0.000 2.575 88 S HA 0.063 4.534 4.470 0.000 0.000 0.215 88 S C -0.144 174.391 174.600 -0.108 0.000 0.966 88 S CA -0.269 57.831 58.200 -0.167 0.000 0.911 88 S CB -0.629 62.527 63.200 -0.073 0.000 0.780 88 S HN 0.419 nan 8.310 nan 0.000 0.514 89 H N 0.709 119.697 119.070 -0.137 0.000 2.770 89 H HA -0.128 4.428 4.556 0.000 0.000 0.309 89 H C -0.623 174.670 175.328 -0.060 0.000 1.206 89 H CA 0.389 56.348 56.048 -0.147 0.000 1.147 89 H CB -2.212 27.469 29.762 -0.136 0.000 1.422 89 H HN 0.357 nan 8.280 nan 0.000 0.420 90 S N 2.337 118.075 115.700 0.063 0.000 2.499 90 S HA 0.162 4.632 4.470 0.000 0.000 0.275 90 S C -1.878 172.766 174.600 0.074 0.000 1.257 90 S CA -1.063 57.180 58.200 0.071 0.000 1.050 90 S CB 1.079 64.319 63.200 0.068 0.000 0.937 90 S HN 0.194 nan 8.310 nan 0.000 0.490 91 P HA 0.259 nan 4.420 nan 0.000 0.256 91 P C -1.119 176.236 177.300 0.091 0.000 1.689 91 P CA -0.073 63.072 63.100 0.075 0.000 1.124 91 P CB -0.125 31.613 31.700 0.063 0.000 1.766 92 L N 4.607 125.888 121.223 0.097 0.000 2.333 92 L HA 0.510 4.850 4.340 0.000 0.000 0.280 92 L C 0.534 177.460 176.870 0.095 0.000 1.004 92 L CA -0.983 53.912 54.840 0.091 0.000 0.820 92 L CB 2.022 44.125 42.059 0.074 0.000 1.247 92 L HN 0.157 nan 8.230 nan 0.000 0.416 93 I N 4.168 124.782 120.570 0.073 0.000 2.307 93 I HA 0.195 4.365 4.170 0.000 0.000 0.287 93 I C -0.260 175.765 176.117 -0.153 0.000 1.054 93 I CA -0.469 60.846 61.300 0.025 0.000 1.218 93 I CB 1.279 39.344 38.000 0.109 0.000 1.398 93 I HN 0.229 nan 8.210 nan 0.000 0.475 94 V N 5.382 125.258 119.914 -0.063 0.000 2.348 94 V HA 0.276 4.396 4.120 0.000 0.000 0.270 94 V C 0.632 176.592 176.094 -0.223 0.000 1.037 94 V CA -0.442 61.806 62.300 -0.086 0.000 0.872 94 V CB 0.993 32.896 31.823 0.134 0.000 1.002 94 V HN 0.798 nan 8.190 nan 0.000 0.464 95 T N 2.338 116.675 114.554 -0.361 0.000 2.902 95 T HA 0.858 5.208 4.350 0.000 0.000 0.283 95 T C -0.326 174.215 174.700 -0.265 0.000 1.009 95 T CA -0.500 61.381 62.100 -0.364 0.000 1.051 95 T CB 1.994 70.646 68.868 -0.359 0.000 0.999 95 T HN 0.970 nan 8.240 nan 0.000 0.474 96 A N 1.684 124.323 122.820 -0.302 0.000 2.398 96 A HA 0.815 5.135 4.320 0.000 0.000 0.301 96 A C 0.330 177.870 177.584 -0.074 0.000 1.041 96 A CA -0.696 51.254 52.037 -0.145 0.000 0.711 96 A CB 1.194 20.126 19.000 -0.114 0.000 1.240 96 A HN 1.335 nan 8.150 nan 0.000 0.420 97 G N 0.720 109.539 108.800 0.031 0.000 2.378 97 G HA2 0.465 4.425 3.960 0.000 0.000 0.255 97 G HA3 0.465 4.425 3.960 0.000 0.000 0.255 97 G C -0.150 174.771 174.900 0.035 0.000 1.270 97 G CA 0.040 45.208 45.100 0.113 0.000 0.876 97 G HN 0.858 nan 8.290 nan 0.000 0.521 98 Q N 0.755 120.595 119.800 0.067 0.000 2.248 98 Q HA 0.332 4.672 4.340 0.000 0.000 0.263 98 Q C 0.312 176.369 176.000 0.094 0.000 1.007 98 Q CA -0.687 55.133 55.803 0.029 0.000 0.877 98 Q CB 1.075 29.808 28.738 -0.010 0.000 1.315 98 Q HN 0.505 nan 8.270 nan 0.000 0.454 99 Q N 0.448 120.276 119.800 0.047 0.000 2.540 99 Q HA 0.039 4.379 4.340 0.000 0.000 0.256 99 Q C -0.448 175.595 176.000 0.071 0.000 1.084 99 Q CA 0.399 56.229 55.803 0.046 0.000 0.956 99 Q CB 0.526 29.265 28.738 0.002 0.000 1.303 99 Q HN 0.834 nan 8.270 nan 0.000 0.509 100 T N 0.905 115.484 114.554 0.042 0.000 2.946 100 T HA -0.022 4.328 4.350 0.000 0.000 0.311 100 T C 1.388 176.107 174.700 0.033 0.000 1.063 100 T CA 0.180 62.324 62.100 0.073 0.000 1.139 100 T CB 0.343 69.215 68.868 0.006 0.000 0.994 100 T HN 0.470 nan 8.240 nan 0.000 0.547 101 R N 3.079 123.601 120.500 0.036 0.000 2.127 101 R HA -0.111 4.229 4.340 0.000 0.000 0.238 101 R C 2.548 178.849 176.300 0.002 0.000 1.134 101 R CA 1.438 57.542 56.100 0.006 0.000 0.975 101 R CB -0.453 29.846 30.300 -0.001 0.000 0.865 101 R HN 0.724 nan 8.270 nan 0.000 0.447 102 A N 0.343 123.167 122.820 0.007 0.000 2.121 102 A HA -0.061 4.259 4.320 0.000 0.000 0.218 102 A C 1.762 179.342 177.584 -0.007 0.000 1.154 102 A CA 1.033 53.071 52.037 0.001 0.000 0.679 102 A CB 0.018 19.021 19.000 0.005 0.000 0.795 102 A HN 0.108 nan 8.150 nan 0.000 0.458 103 M N -1.020 118.573 119.600 -0.012 0.000 2.371 103 M HA 0.319 4.799 4.480 0.000 0.000 0.246 103 M C 1.448 177.739 176.300 -0.015 0.000 1.103 103 M CA 0.195 55.484 55.300 -0.017 0.000 1.010 103 M CB -0.596 31.986 32.600 -0.030 0.000 1.457 103 M HN 0.366 nan 8.290 nan 0.000 0.486 104 I N 0.053 120.615 120.570 -0.014 0.000 2.252 104 I HA -0.156 4.014 4.170 0.000 0.000 0.245 104 I C 2.428 178.535 176.117 -0.016 0.000 1.102 104 I CA 1.374 62.664 61.300 -0.016 0.000 1.385 104 I CB -0.586 37.402 38.000 -0.021 0.000 1.064 104 I HN 0.329 nan 8.210 nan 0.000 0.414 105 G N 0.014 108.805 108.800 -0.015 0.000 2.418 105 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 105 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 105 G C 1.677 176.570 174.900 -0.012 0.000 1.158 105 G CA 0.740 45.832 45.100 -0.014 0.000 0.771 105 G HN 0.298 nan 8.290 nan 0.000 0.545 106 V N 0.439 120.347 119.914 -0.011 0.000 3.380 106 V HA 0.100 4.220 4.120 0.000 0.000 0.268 106 V C 0.744 176.833 176.094 -0.010 0.000 1.168 106 V CA 1.098 63.392 62.300 -0.010 0.000 1.156 106 V CB -0.821 30.997 31.823 -0.009 0.000 0.785 106 V HN 0.647 nan 8.190 nan 0.000 0.487 107 E N -0.148 120.045 120.200 -0.011 0.000 2.246 107 E HA -0.214 4.136 4.350 0.000 0.000 0.211 107 E C 0.443 177.038 176.600 -0.007 0.000 1.278 107 E CA 0.165 56.559 56.400 -0.010 0.000 0.694 107 E CB -1.559 28.135 29.700 -0.010 0.000 1.166 107 E HN 0.765 nan 8.360 nan 0.000 0.370 108 A N 0.808 123.623 122.820 -0.009 0.000 2.492 108 A HA 0.228 4.548 4.320 0.000 0.000 0.236 108 A C 0.541 178.125 177.584 0.000 0.000 1.078 108 A CA -0.159 51.874 52.037 -0.007 0.000 0.773 108 A CB 0.344 19.336 19.000 -0.014 0.000 1.023 108 A HN 0.379 nan 8.150 nan 0.000 0.504 109 L N 1.106 122.333 121.223 0.006 0.000 2.573 109 L HA 0.057 4.397 4.340 0.000 0.000 0.290 109 L C 0.874 177.763 176.870 0.033 0.000 1.247 109 L CA 1.626 56.477 54.840 0.020 0.000 0.876 109 L CB -0.345 41.728 42.059 0.024 0.000 1.123 109 L HN 0.763 nan 8.230 nan 0.000 0.505 110 L N 1.268 122.520 121.223 0.048 0.000 4.892 110 L HA -0.222 4.119 4.340 0.000 0.000 0.403 110 L C 0.405 177.270 176.870 -0.008 0.000 0.913 110 L CA 0.440 55.314 54.840 0.056 0.000 1.653 110 L CB -2.652 39.497 42.059 0.150 0.000 1.780 110 L HN 0.729 nan 8.230 nan 0.000 0.597 111 T N 1.038 115.587 114.554 -0.007 0.000 2.901 111 T HA 0.189 4.539 4.350 0.000 0.000 0.301 111 T C 0.618 175.300 174.700 -0.030 0.000 1.012 111 T CA 0.026 62.114 62.100 -0.019 0.000 1.135 111 T CB 1.092 69.951 68.868 -0.014 0.000 0.936 111 T HN 0.174 nan 8.240 nan 0.000 0.539 112 N N 3.530 122.209 118.700 -0.036 0.000 2.558 112 N HA 0.167 4.907 4.740 0.000 0.000 0.233 112 N C -0.661 174.835 175.510 -0.023 0.000 1.038 112 N CA -0.340 52.694 53.050 -0.028 0.000 0.934 112 N CB 0.246 38.722 38.487 -0.018 0.000 1.175 112 N HN 0.269 nan 8.380 nan 0.000 0.512 113 V N 3.225 123.125 119.914 -0.024 0.000 2.572 113 V HA 0.040 4.160 4.120 0.000 0.000 0.291 113 V C 0.760 176.835 176.094 -0.031 0.000 1.039 113 V CA -0.212 62.072 62.300 -0.026 0.000 1.055 113 V CB 0.673 32.482 31.823 -0.024 0.000 0.969 113 V HN 0.763 nan 8.190 nan 0.000 0.482 114 D N 3.467 123.846 120.400 -0.036 0.000 2.689 114 D HA -0.243 4.397 4.640 0.000 0.000 0.237 114 D C 1.258 177.534 176.300 -0.040 0.000 1.148 114 D CA 0.947 54.922 54.000 -0.041 0.000 0.656 114 D CB -0.604 40.171 40.800 -0.040 0.000 1.050 114 D HN 0.800 nan 8.370 nan 0.000 0.426 115 A N 0.490 123.296 122.820 -0.024 0.000 1.883 115 A HA 0.039 4.359 4.320 0.000 0.000 0.217 115 A C 2.512 180.125 177.584 0.048 0.000 1.186 115 A CA 2.575 54.630 52.037 0.031 0.000 0.624 115 A CB -0.792 18.242 19.000 0.058 0.000 0.822 115 A HN 0.844 nan 8.150 nan 0.000 0.444 116 A N -0.373 122.451 122.820 0.007 0.000 2.070 116 A HA -0.149 4.171 4.320 0.000 0.000 0.220 116 A C 1.815 179.353 177.584 -0.076 0.000 1.159 116 A CA 1.598 53.633 52.037 -0.003 0.000 0.656 116 A CB -0.532 18.424 19.000 -0.073 0.000 0.800 116 A HN 0.539 nan 8.150 nan 0.000 0.453 117 N N -0.424 118.226 118.700 -0.083 0.000 2.457 117 N HA -0.058 4.682 4.740 0.000 0.000 0.180 117 N C 1.488 176.912 175.510 -0.143 0.000 1.050 117 N CA 0.780 53.769 53.050 -0.101 0.000 0.906 117 N CB -0.288 38.154 38.487 -0.075 0.000 0.968 117 N HN 0.451 nan 8.380 nan 0.000 0.445 118 L N 2.626 123.745 121.223 -0.174 0.000 1.970 118 L HA -0.057 4.283 4.340 0.000 0.000 0.212 118 L C -0.988 175.715 176.870 -0.278 0.000 1.071 118 L CA 2.119 56.832 54.840 -0.211 0.000 0.751 118 L CB -1.420 40.517 42.059 -0.204 0.000 0.889 118 L HN 0.097 nan 8.230 nan 0.000 0.432 119 P HA -0.056 nan 4.420 nan 0.000 0.245 119 P C -0.121 177.024 177.300 -0.258 0.000 1.206 119 P CA 0.312 63.184 63.100 -0.380 0.000 0.781 119 P CB -0.086 31.263 31.700 -0.585 0.000 0.994 120 R N 2.090 122.458 120.500 -0.221 0.000 2.623 120 R HA 0.124 4.464 4.340 0.000 0.000 0.271 120 R C -1.430 174.751 176.300 -0.199 0.000 1.043 120 R CA -0.840 55.144 56.100 -0.192 0.000 1.083 120 R CB -0.129 30.085 30.300 -0.144 0.000 0.974 120 R HN 0.131 nan 8.270 nan 0.000 0.436 121 P HA 0.116 nan 4.420 nan 0.000 0.254 121 P C 0.104 177.066 177.300 -0.563 0.000 1.620 121 P CA 0.272 63.172 63.100 -0.333 0.000 1.050 121 P CB 0.343 31.861 31.700 -0.303 0.000 1.539 122 L N -0.109 120.851 121.223 -0.438 0.000 2.653 122 L HA 0.187 4.527 4.340 0.000 0.000 0.231 122 L C 0.798 177.588 176.870 -0.133 0.000 1.153 122 L CA -0.240 54.328 54.840 -0.453 0.000 0.933 122 L CB 0.304 42.231 42.059 -0.219 0.000 1.175 122 L HN -0.111 nan 8.230 nan 0.000 0.473 123 V N -5.111 114.754 119.914 -0.082 0.000 2.962 123 V HA 0.386 4.506 4.120 0.000 0.000 0.313 123 V C 0.661 176.976 176.094 0.369 0.000 1.099 123 V CA -1.018 61.419 62.300 0.229 0.000 0.971 123 V CB 2.178 34.083 31.823 0.137 0.000 1.028 123 V HN 0.031 nan 8.190 nan 0.000 0.430 124 K N 0.721 121.419 120.400 0.496 0.000 2.217 124 K HA 0.106 4.426 4.320 0.000 0.000 0.202 124 K C -0.281 176.567 176.600 0.412 0.000 1.051 124 K CA 1.512 58.072 56.287 0.455 0.000 0.952 124 K CB 0.176 32.868 32.500 0.320 0.000 0.736 124 K HN 0.747 nan 8.250 nan 0.000 0.453 125 W N -0.267 121.125 121.300 0.153 0.000 3.479 125 W HA 0.317 4.977 4.660 0.000 0.000 0.304 125 W C -1.751 174.858 176.519 0.149 0.000 1.243 125 W CA -0.647 56.766 57.345 0.113 0.000 1.202 125 W CB 1.792 31.293 29.460 0.070 0.000 1.346 125 W HN -0.346 nan 8.180 nan 0.000 0.539 126 S N 4.783 120.190 115.700 -0.488 0.000 2.572 126 S HA 0.739 5.209 4.470 0.000 0.000 0.274 126 S C -2.288 171.994 174.600 -0.529 0.000 1.150 126 S CA -0.341 57.654 58.200 -0.342 0.000 0.944 126 S CB 0.791 63.939 63.200 -0.088 0.000 1.071 126 S HN 0.536 nan 8.310 nan 0.000 0.479 127 Y N 2.024 121.940 120.300 -0.639 0.000 2.558 127 Y HA 0.522 5.072 4.550 0.000 0.000 0.333 127 Y C -1.410 174.293 175.900 -0.329 0.000 1.125 127 Y CA -0.655 57.082 58.100 -0.606 0.000 1.039 127 Y CB 1.596 39.382 38.460 -1.124 0.000 1.331 127 Y HN 0.705 nan 8.280 nan 0.000 0.456 128 E N 6.220 125.957 120.200 -0.771 0.000 2.218 128 E HA 0.502 4.852 4.350 0.000 0.000 0.263 128 E C -2.840 173.239 176.600 -0.868 0.000 0.879 128 E CA -2.513 53.532 56.400 -0.592 0.000 0.762 128 E CB 1.846 31.335 29.700 -0.351 0.000 1.166 128 E HN 0.306 nan 8.360 nan 0.000 0.415 129 P HA 0.080 nan 4.420 nan 0.000 0.272 129 P C -0.354 176.829 177.300 -0.194 0.000 1.223 129 P CA 0.040 62.995 63.100 -0.242 0.000 0.784 129 P CB 1.083 32.780 31.700 -0.005 0.000 0.923 130 A N 1.263 124.034 122.820 -0.082 0.000 2.208 130 A HA 0.245 4.566 4.320 0.000 0.000 0.209 130 A C 0.589 178.156 177.584 -0.029 0.000 1.161 130 A CA 0.971 52.977 52.037 -0.052 0.000 0.782 130 A CB -0.564 18.437 19.000 0.001 0.000 0.816 130 A HN 0.614 nan 8.150 nan 0.000 0.477 131 S N -3.974 111.714 115.700 -0.021 0.000 2.587 131 S HA 0.613 5.083 4.470 0.000 0.000 0.269 131 S C 0.635 175.210 174.600 -0.041 0.000 1.154 131 S CA -0.058 58.129 58.200 -0.022 0.000 0.824 131 S CB 1.026 64.228 63.200 0.003 0.000 1.118 131 S HN 0.925 nan 8.310 nan 0.000 0.462 132 A N 1.360 124.148 122.820 -0.053 0.000 1.902 132 A HA 0.280 4.600 4.320 0.000 0.000 0.217 132 A C 2.241 179.793 177.584 -0.053 0.000 1.181 132 A CA 1.955 53.939 52.037 -0.089 0.000 0.623 132 A CB -1.526 17.432 19.000 -0.071 0.000 0.818 132 A HN 1.716 nan 8.150 nan 0.000 0.443 133 A N -0.702 122.114 122.820 -0.007 0.000 2.121 133 A HA -0.093 4.227 4.320 0.000 0.000 0.218 133 A C 1.889 179.498 177.584 0.043 0.000 1.154 133 A CA 1.463 53.512 52.037 0.020 0.000 0.679 133 A CB -0.431 18.583 19.000 0.024 0.000 0.795 133 A HN 0.676 nan 8.150 nan 0.000 0.458 134 E N -0.050 120.183 120.200 0.054 0.000 2.347 134 E HA -0.059 4.291 4.350 0.000 0.000 0.196 134 E C 1.550 178.228 176.600 0.131 0.000 1.008 134 E CA 0.738 57.214 56.400 0.126 0.000 0.852 134 E CB -0.059 29.736 29.700 0.158 0.000 0.783 134 E HN 0.358 nan 8.360 nan 0.000 0.505 135 V N 1.623 121.556 119.914 0.030 0.000 2.287 135 V HA -0.203 3.917 4.120 0.000 0.000 0.248 135 V C -0.783 175.358 176.094 0.077 0.000 1.053 135 V CA 2.124 64.416 62.300 -0.013 0.000 1.027 135 V CB -1.246 30.434 31.823 -0.238 0.000 0.646 135 V HN 0.297 nan 8.190 nan 0.000 0.447 136 P HA -0.184 nan 4.420 nan 0.000 0.215 136 P C 1.701 179.111 177.300 0.183 0.000 1.153 136 P CA 1.580 64.779 63.100 0.165 0.000 0.853 136 P CB -0.201 31.601 31.700 0.170 0.000 0.788 137 H N -0.214 118.902 119.070 0.076 0.000 2.353 137 H HA -0.096 4.460 4.556 0.000 0.000 0.300 137 H C 1.742 177.121 175.328 0.084 0.000 1.090 137 H CA 1.497 57.582 56.048 0.062 0.000 1.327 137 H CB -0.177 29.610 29.762 0.041 0.000 1.383 137 H HN -0.021 nan 8.280 nan 0.000 0.508 138 A N 0.953 123.801 122.820 0.046 0.000 1.933 138 A HA -0.192 4.128 4.320 0.000 0.000 0.218 138 A C 2.423 180.101 177.584 0.156 0.000 1.175 138 A CA 1.683 53.792 52.037 0.121 0.000 0.628 138 A CB -0.645 18.565 19.000 0.351 0.000 0.814 138 A HN 0.500 nan 8.150 nan 0.000 0.444 139 M N -0.263 119.424 119.600 0.144 0.000 2.117 139 M HA -0.076 4.404 4.480 0.000 0.000 0.262 139 M C 2.282 178.631 176.300 0.082 0.000 1.065 139 M CA 2.029 57.424 55.300 0.158 0.000 1.114 139 M CB -0.531 32.180 32.600 0.184 0.000 1.361 139 M HN 0.386 nan 8.290 nan 0.000 0.408 140 S N -0.146 115.584 115.700 0.049 0.000 2.359 140 S HA -0.190 4.280 4.470 0.000 0.000 0.224 140 S C 2.049 176.606 174.600 -0.072 0.000 1.035 140 S CA 1.688 59.895 58.200 0.013 0.000 1.018 140 S CB -0.209 63.060 63.200 0.115 0.000 0.876 140 S HN 0.614 nan 8.310 nan 0.000 0.448 141 R N 0.678 121.052 120.500 -0.210 0.000 2.091 141 R HA -0.046 4.294 4.340 0.000 0.000 0.238 141 R C 2.673 178.731 176.300 -0.402 0.000 1.136 141 R CA 1.405 57.226 56.100 -0.464 0.000 0.959 141 R CB -0.649 29.086 30.300 -0.943 0.000 0.856 141 R HN 0.511 nan 8.270 nan 0.000 0.437 142 A N 1.266 124.024 122.820 -0.104 0.000 1.877 142 A HA -0.153 4.167 4.320 0.000 0.000 0.216 142 A C 2.178 179.784 177.584 0.036 0.000 1.186 142 A CA 1.283 53.407 52.037 0.145 0.000 0.620 142 A CB -0.526 18.659 19.000 0.309 0.000 0.822 142 A HN 0.183 nan 8.150 nan 0.000 0.443 143 I N -0.938 119.602 120.570 -0.051 0.000 2.127 143 I HA -0.303 3.867 4.170 0.000 0.000 0.241 143 I C 2.508 178.498 176.117 -0.212 0.000 1.075 143 I CA 1.581 62.794 61.300 -0.146 0.000 1.334 143 I CB -0.551 37.276 38.000 -0.289 0.000 1.040 143 I HN 0.411 nan 8.210 nan 0.000 0.405 144 H N -0.261 118.783 119.070 -0.043 0.000 2.395 144 H HA -0.032 4.524 4.556 0.000 0.000 0.299 144 H C 2.345 177.618 175.328 -0.091 0.000 1.070 144 H CA 1.128 57.129 56.048 -0.079 0.000 1.356 144 H CB -0.185 29.508 29.762 -0.114 0.000 1.401 144 H HN 0.249 nan 8.280 nan 0.000 0.524 145 M N 0.516 120.095 119.600 -0.036 0.000 2.159 145 M HA -0.067 4.413 4.480 0.000 0.000 0.263 145 M C 2.535 178.858 176.300 0.038 0.000 1.063 145 M CA 1.065 56.343 55.300 -0.037 0.000 1.110 145 M CB -1.034 31.511 32.600 -0.091 0.000 1.374 145 M HN 0.221 nan 8.290 nan 0.000 0.411 146 A N -0.876 121.980 122.820 0.061 0.000 1.969 146 A HA -0.074 4.246 4.320 0.000 0.000 0.218 146 A C 2.416 180.026 177.584 0.043 0.000 1.169 146 A CA 1.950 54.032 52.037 0.076 0.000 0.635 146 A CB -0.530 18.526 19.000 0.092 0.000 0.810 146 A HN 0.499 nan 8.150 nan 0.000 0.445 147 S N -0.828 114.890 115.700 0.031 0.000 2.486 147 S HA 0.235 4.705 4.470 0.000 0.000 0.220 147 S C 0.805 175.406 174.600 0.001 0.000 1.011 147 S CA -0.024 58.190 58.200 0.023 0.000 0.921 147 S CB -0.164 63.057 63.200 0.034 0.000 0.785 147 S HN 0.531 nan 8.310 nan 0.000 0.517 148 M N 1.973 121.569 119.600 -0.005 0.000 2.238 148 M HA 0.287 4.767 4.480 0.000 0.000 0.347 148 M C 0.344 176.607 176.300 -0.063 0.000 1.173 148 M CA -0.404 54.875 55.300 -0.036 0.000 1.147 148 M CB 0.411 32.986 32.600 -0.042 0.000 1.547 148 M HN 0.153 nan 8.290 nan 0.000 0.455 149 A N 5.243 128.013 122.820 -0.082 0.000 2.540 149 A HA 0.314 4.634 4.320 0.000 0.000 0.239 149 A C -2.193 175.309 177.584 -0.136 0.000 1.061 149 A CA -1.009 50.951 52.037 -0.128 0.000 0.758 149 A CB -0.848 18.082 19.000 -0.115 0.000 0.991 149 A HN 0.519 nan 8.150 nan 0.000 0.502 150 P HA 0.140 nan 4.420 nan 0.000 0.282 150 P C -0.511 176.626 177.300 -0.271 0.000 1.262 150 P CA -0.104 62.767 63.100 -0.381 0.000 0.773 150 P CB 0.645 32.020 31.700 -0.541 0.000 0.879 151 Q N 1.092 120.763 119.800 -0.215 0.000 2.474 151 Q HA 0.513 4.853 4.340 0.000 0.000 0.256 151 Q C 0.699 176.683 176.000 -0.026 0.000 1.048 151 Q CA 0.350 56.110 55.803 -0.071 0.000 0.922 151 Q CB 0.455 29.181 28.738 -0.020 0.000 1.288 151 Q HN 0.753 nan 8.270 nan 0.000 0.484 152 G N 0.743 109.556 108.800 0.023 0.000 2.349 152 G HA2 0.286 4.246 3.960 0.000 0.000 0.294 152 G HA3 0.286 4.246 3.960 0.000 0.000 0.294 152 G C -3.090 171.884 174.900 0.124 0.000 1.380 152 G CA -0.889 44.239 45.100 0.047 0.000 0.811 152 G HN 0.383 nan 8.290 nan 0.000 0.519 153 P HA 0.492 nan 4.420 nan 0.000 0.278 153 P C -0.093 177.353 177.300 0.243 0.000 1.238 153 P CA -0.216 63.002 63.100 0.196 0.000 0.794 153 P CB 1.713 33.532 31.700 0.197 0.000 0.955 154 V N 0.319 120.369 119.914 0.228 0.000 3.130 154 V HA 0.667 4.787 4.120 0.000 0.000 0.310 154 V C -1.690 174.563 176.094 0.266 0.000 1.158 154 V CA -1.059 61.412 62.300 0.284 0.000 1.029 154 V CB 2.242 34.275 31.823 0.349 0.000 1.057 154 V HN 0.499 nan 8.190 nan 0.000 0.436 155 Y N 2.383 122.723 120.300 0.066 0.000 2.421 155 Y HA 0.837 5.387 4.550 0.000 0.000 0.339 155 Y C -1.371 174.483 175.900 -0.077 0.000 0.996 155 Y CA -1.173 56.913 58.100 -0.023 0.000 1.046 155 Y CB 2.089 40.512 38.460 -0.061 0.000 1.226 155 Y HN 0.920 nan 8.280 nan 0.000 0.445 156 L N 5.214 126.152 121.223 -0.475 0.000 2.406 156 L HA 0.587 4.927 4.340 0.000 0.000 0.272 156 L C -1.108 175.424 176.870 -0.563 0.000 0.980 156 L CA -0.212 54.406 54.840 -0.371 0.000 0.831 156 L CB 1.937 43.947 42.059 -0.082 0.000 1.253 156 L HN 0.567 nan 8.230 nan 0.000 0.406 157 S N 4.184 119.605 115.700 -0.466 0.000 2.457 157 S HA 0.805 5.275 4.470 0.000 0.000 0.289 157 S C -0.941 173.534 174.600 -0.208 0.000 1.163 157 S CA -0.432 57.564 58.200 -0.340 0.000 1.078 157 S CB 0.775 63.837 63.200 -0.229 0.000 0.987 157 S HN 0.459 nan 8.310 nan 0.000 0.482 158 V N 7.769 127.603 119.914 -0.134 0.000 2.443 158 V HA 0.414 4.534 4.120 0.000 0.000 0.293 158 V C -2.429 173.630 176.094 -0.057 0.000 1.021 158 V CA -2.035 60.181 62.300 -0.140 0.000 0.848 158 V CB 1.523 33.243 31.823 -0.172 0.000 0.998 158 V HN 0.723 nan 8.190 nan 0.000 0.424 159 P HA -0.006 nan 4.420 nan 0.000 0.264 159 P C 0.517 177.872 177.300 0.091 0.000 1.183 159 P CA 0.271 63.378 63.100 0.013 0.000 0.763 159 P CB 0.403 32.087 31.700 -0.027 0.000 0.807 160 Y N 4.480 124.846 120.300 0.110 0.000 2.096 160 Y HA -0.348 4.202 4.550 0.000 0.000 0.278 160 Y C 1.770 177.807 175.900 0.229 0.000 1.192 160 Y CA 2.365 60.610 58.100 0.242 0.000 1.143 160 Y CB -0.277 38.288 38.460 0.175 0.000 0.963 160 Y HN 0.406 nan 8.280 nan 0.000 0.505 161 D N -1.439 119.164 120.400 0.339 0.000 2.363 161 D HA -0.114 4.526 4.640 0.000 0.000 0.220 161 D C 1.086 177.413 176.300 0.044 0.000 0.994 161 D CA 0.874 55.009 54.000 0.224 0.000 0.890 161 D CB -0.502 40.442 40.800 0.240 0.000 0.906 161 D HN 0.409 nan 8.370 nan 0.000 0.530 162 D N 0.509 120.837 120.400 -0.120 0.000 2.183 162 D HA -0.089 4.551 4.640 0.000 0.000 0.203 162 D C 1.614 177.798 176.300 -0.194 0.000 0.969 162 D CA 0.617 54.470 54.000 -0.244 0.000 0.842 162 D CB -0.521 39.999 40.800 -0.466 0.000 0.957 162 D HN 0.414 nan 8.370 nan 0.000 0.484 163 W N 1.399 122.742 121.300 0.072 0.000 2.363 163 W HA -0.101 4.560 4.660 0.000 0.000 0.296 163 W C 1.688 178.276 176.519 0.115 0.000 1.212 163 W CA 0.479 57.903 57.345 0.132 0.000 1.260 163 W CB -0.108 29.463 29.460 0.185 0.000 1.131 163 W HN -0.106 nan 8.180 nan 0.000 0.530 164 D N -0.152 120.393 120.400 0.242 0.000 2.355 164 D HA -0.032 4.608 4.640 0.000 0.000 0.218 164 D C 0.869 177.235 176.300 0.110 0.000 1.004 164 D CA 0.743 54.831 54.000 0.148 0.000 0.880 164 D CB -0.181 40.676 40.800 0.095 0.000 0.911 164 D HN -0.057 nan 8.370 nan 0.000 0.528 165 K N 1.463 121.919 120.400 0.092 0.000 2.219 165 K HA 0.087 4.407 4.320 0.000 0.000 0.258 165 K C 0.046 176.691 176.600 0.076 0.000 1.008 165 K CA -0.353 55.972 56.287 0.064 0.000 0.928 165 K CB 0.395 32.914 32.500 0.033 0.000 0.983 165 K HN -0.085 nan 8.250 nan 0.000 0.484 166 D N 0.658 121.095 120.400 0.062 0.000 2.425 166 D HA 0.134 4.774 4.640 0.000 0.000 0.247 166 D C 0.085 176.426 176.300 0.068 0.000 1.147 166 D CA 0.211 54.251 54.000 0.067 0.000 0.879 166 D CB 0.616 41.448 40.800 0.053 0.000 1.179 166 D HN 0.458 nan 8.370 nan 0.000 0.456 167 A N 2.086 124.958 122.820 0.088 0.000 2.304 167 A HA 0.175 4.495 4.320 0.000 0.000 0.271 167 A C 0.290 177.914 177.584 0.067 0.000 1.091 167 A CA -0.557 51.532 52.037 0.087 0.000 0.812 167 A CB 0.412 19.486 19.000 0.123 0.000 1.056 167 A HN 0.478 nan 8.150 nan 0.000 0.489 168 D N 0.985 121.416 120.400 0.053 0.000 2.401 168 D HA 0.184 4.824 4.640 0.000 0.000 0.254 168 D C -1.548 174.779 176.300 0.045 0.000 1.192 168 D CA -1.514 52.508 54.000 0.036 0.000 0.885 168 D CB 0.949 41.758 40.800 0.014 0.000 1.147 168 D HN 0.100 nan 8.370 nan 0.000 0.478 169 P HA -0.136 nan 4.420 nan 0.000 0.219 169 P C 1.010 178.371 177.300 0.102 0.000 1.146 169 P CA 0.877 64.029 63.100 0.086 0.000 0.808 169 P CB 0.255 32.005 31.700 0.083 0.000 0.779 170 Q N -0.931 118.900 119.800 0.051 0.000 2.515 170 Q HA 0.024 4.364 4.340 0.000 0.000 0.212 170 Q C 1.753 177.674 176.000 -0.131 0.000 0.970 170 Q CA 0.755 56.558 55.803 -0.000 0.000 0.941 170 Q CB -0.723 28.032 28.738 0.028 0.000 0.998 170 Q HN 0.269 nan 8.270 nan 0.000 0.518 171 S N 0.476 116.101 115.700 -0.124 0.000 2.507 171 S HA -0.111 4.359 4.470 0.000 0.000 0.235 171 S C 1.556 175.835 174.600 -0.536 0.000 0.988 171 S CA 0.542 58.617 58.200 -0.207 0.000 0.944 171 S CB -0.333 62.821 63.200 -0.076 0.000 0.762 171 S HN 0.603 nan 8.310 nan 0.000 0.526 172 H N 0.680 119.403 119.070 -0.578 0.000 2.456 172 H HA -0.079 4.477 4.556 0.000 0.000 0.296 172 H C 1.324 176.228 175.328 -0.708 0.000 1.079 172 H CA 1.400 56.847 56.048 -1.002 0.000 1.322 172 H CB -0.665 28.818 29.762 -0.466 0.000 1.388 172 H HN 0.525 nan 8.280 nan 0.000 0.538 173 H N 0.957 119.536 119.070 -0.817 0.000 2.518 173 H HA -0.003 4.553 4.556 0.000 0.000 0.289 173 H C 2.426 177.626 175.328 -0.214 0.000 1.051 173 H CA 0.943 56.728 56.048 -0.439 0.000 1.280 173 H CB 0.311 29.832 29.762 -0.402 0.000 1.380 173 H HN 0.406 nan 8.280 nan 0.000 0.566 174 L N -0.415 120.719 121.223 -0.148 0.000 2.217 174 L HA -0.118 4.222 4.340 0.000 0.000 0.211 174 L C 2.149 179.124 176.870 0.176 0.000 1.107 174 L CA 0.373 55.230 54.840 0.029 0.000 0.783 174 L CB -0.441 41.650 42.059 0.053 0.000 0.919 174 L HN 0.062 nan 8.230 nan 0.000 0.442 175 F N 0.599 120.621 119.950 0.120 0.000 2.095 175 F HA -0.233 4.294 4.527 0.000 0.000 0.298 175 F C 1.897 177.770 175.800 0.122 0.000 1.104 175 F CA 1.122 59.193 58.000 0.117 0.000 1.232 175 F CB -0.650 38.415 39.000 0.108 0.000 0.987 175 F HN 0.133 nan 8.300 nan 0.000 0.475 176 D N -0.456 120.131 120.400 0.312 0.000 2.424 176 D HA 0.067 4.707 4.640 0.000 0.000 0.220 176 D C 0.331 176.750 176.300 0.198 0.000 1.150 176 D CA -0.060 54.076 54.000 0.227 0.000 0.831 176 D CB -0.038 40.875 40.800 0.189 0.000 0.981 176 D HN 0.109 nan 8.370 nan 0.000 0.500 177 R N 0.679 121.297 120.500 0.197 0.000 2.538 177 R HA 0.066 4.406 4.340 0.000 0.000 0.282 177 R C 0.080 176.476 176.300 0.161 0.000 1.009 177 R CA 0.298 56.480 56.100 0.136 0.000 1.063 177 R CB 0.231 30.580 30.300 0.080 0.000 0.945 177 R HN 0.146 nan 8.270 nan 0.000 0.414 178 H N 1.784 120.860 119.070 0.009 0.000 2.511 178 H HA 0.356 4.912 4.556 0.000 0.000 0.328 178 H C -1.248 174.033 175.328 -0.078 0.000 1.044 178 H CA -0.602 55.450 56.048 0.006 0.000 1.212 178 H CB 1.050 30.824 29.762 0.020 0.000 1.428 178 H HN 0.202 nan 8.280 nan 0.000 0.483 179 V N 4.630 124.259 119.914 -0.475 0.000 2.444 179 V HA 0.335 4.455 4.120 0.000 0.000 0.294 179 V C -0.277 175.598 176.094 -0.364 0.000 1.022 179 V CA -0.682 61.399 62.300 -0.366 0.000 0.850 179 V CB 1.420 32.975 31.823 -0.446 0.000 0.992 179 V HN 0.819 nan 8.190 nan 0.000 0.426 180 S N 2.747 118.330 115.700 -0.195 0.000 2.482 180 S HA 0.550 5.020 4.470 0.000 0.000 0.303 180 S C 0.497 175.059 174.600 -0.063 0.000 1.091 180 S CA -0.039 58.098 58.200 -0.105 0.000 1.057 180 S CB 1.599 64.820 63.200 0.036 0.000 1.031 180 S HN 0.943 nan 8.310 nan 0.000 0.485 181 S N 2.451 118.119 115.700 -0.054 0.000 2.741 181 S HA 0.210 4.680 4.470 0.000 0.000 0.247 181 S C 0.238 174.821 174.600 -0.029 0.000 1.050 181 S CA -0.452 57.722 58.200 -0.043 0.000 1.025 181 S CB 0.343 63.511 63.200 -0.055 0.000 0.897 181 S HN 0.487 nan 8.310 nan 0.000 0.508 182 S N 2.661 118.354 115.700 -0.011 0.000 4.139 182 S HA 0.437 4.907 4.470 0.000 0.000 0.215 182 S C 0.174 174.774 174.600 -0.001 0.000 1.390 182 S CA -0.398 57.801 58.200 -0.000 0.000 0.885 182 S CB -1.142 62.071 63.200 0.021 0.000 1.560 182 S HN 0.645 nan 8.310 nan 0.000 0.449 183 V N 2.472 122.380 119.914 -0.011 0.000 2.864 183 V HA 0.988 5.108 4.120 0.000 0.000 0.314 183 V C -0.703 175.383 176.094 -0.013 0.000 1.073 183 V CA -1.370 60.923 62.300 -0.012 0.000 0.956 183 V CB 1.895 33.708 31.823 -0.017 0.000 1.023 183 V HN 0.689 nan 8.190 nan 0.000 0.435 184 R N 2.270 122.763 120.500 -0.011 0.000 2.799 184 R HA 0.769 5.109 4.340 0.000 0.000 0.270 184 R C -1.026 175.268 176.300 -0.011 0.000 1.010 184 R CA -1.012 55.082 56.100 -0.010 0.000 0.916 184 R CB 0.722 31.019 30.300 -0.006 0.000 1.228 184 R HN 0.815 nan 8.270 nan 0.000 0.469 185 L N 2.077 123.294 121.223 -0.011 0.000 2.514 185 L HA 0.149 4.489 4.340 0.000 0.000 0.280 185 L C -0.359 176.507 176.870 -0.008 0.000 1.223 185 L CA 0.517 55.351 54.840 -0.010 0.000 0.864 185 L CB -0.108 41.945 42.059 -0.010 0.000 1.118 185 L HN 0.924 nan 8.230 nan 0.000 0.494 186 N N 1.971 120.667 118.700 -0.008 0.000 2.329 186 N HA -0.080 4.660 4.740 0.000 0.000 0.237 186 N C 0.410 175.917 175.510 -0.005 0.000 1.258 186 N CA 0.214 53.260 53.050 -0.006 0.000 0.866 186 N CB 0.248 38.731 38.487 -0.007 0.000 1.102 186 N HN 0.604 nan 8.380 nan 0.000 0.440 187 D N 0.347 120.745 120.400 -0.004 0.000 2.123 187 D HA -0.189 4.452 4.640 0.000 0.000 0.196 187 D C 1.531 177.830 176.300 -0.002 0.000 0.992 187 D CA 1.504 55.503 54.000 -0.002 0.000 0.833 187 D CB -0.210 40.589 40.800 -0.002 0.000 0.954 187 D HN 0.679 nan 8.370 nan 0.000 0.455 188 Q N 0.046 119.845 119.800 -0.003 0.000 2.050 188 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 188 Q C 1.491 177.489 176.000 -0.003 0.000 0.980 188 Q CA 1.176 56.977 55.803 -0.002 0.000 0.840 188 Q CB 0.064 28.801 28.738 -0.003 0.000 0.898 188 Q HN 0.285 nan 8.270 nan 0.000 0.424 189 D N 0.214 120.612 120.400 -0.004 0.000 2.234 189 D HA -0.094 4.546 4.640 0.000 0.000 0.205 189 D C 1.785 178.083 176.300 -0.004 0.000 0.962 189 D CA 0.374 54.371 54.000 -0.005 0.000 0.855 189 D CB -0.012 40.784 40.800 -0.007 0.000 0.951 189 D HN 0.095 nan 8.370 nan 0.000 0.500 190 L N 1.272 122.493 121.223 -0.004 0.000 2.046 190 L HA -0.136 4.204 4.340 0.000 0.000 0.208 190 L C 1.323 178.193 176.870 -0.000 0.000 1.077 190 L CA 1.798 56.636 54.840 -0.002 0.000 0.747 190 L CB -0.399 41.658 42.059 -0.002 0.000 0.896 190 L HN -0.186 nan 8.230 nan 0.000 0.432 191 D N -0.468 119.932 120.400 -0.000 0.000 2.144 191 D HA -0.153 4.487 4.640 0.000 0.000 0.200 191 D C 2.342 178.643 176.300 0.002 0.000 0.978 191 D CA 1.522 55.523 54.000 0.001 0.000 0.833 191 D CB -0.064 40.737 40.800 0.001 0.000 0.961 191 D HN 0.425 nan 8.370 nan 0.000 0.470 192 I N 0.347 120.918 120.570 0.000 0.000 2.252 192 I HA -0.230 3.940 4.170 0.000 0.000 0.245 192 I C 2.304 178.422 176.117 0.001 0.000 1.102 192 I CA 0.463 61.763 61.300 0.001 0.000 1.385 192 I CB -0.100 37.899 38.000 -0.001 0.000 1.064 192 I HN 0.016 nan 8.210 nan 0.000 0.414 193 L N 0.546 121.769 121.223 0.000 0.000 2.017 193 L HA -0.158 4.182 4.340 0.000 0.000 0.208 193 L C 2.402 179.275 176.870 0.004 0.000 1.073 193 L CA 1.813 56.654 54.840 0.001 0.000 0.745 193 L CB -0.576 41.482 42.059 -0.002 0.000 0.894 193 L HN -0.026 nan 8.230 nan 0.000 0.432 194 V N -0.108 119.809 119.914 0.005 0.000 2.332 194 V HA -0.336 3.784 4.120 0.000 0.000 0.248 194 V C 2.638 178.737 176.094 0.009 0.000 1.055 194 V CA 2.225 64.529 62.300 0.007 0.000 1.038 194 V CB -0.701 31.126 31.823 0.007 0.000 0.651 194 V HN 0.481 nan 8.190 nan 0.000 0.450 195 K N 0.067 120.471 120.400 0.007 0.000 2.097 195 K HA -0.139 4.181 4.320 0.000 0.000 0.206 195 K C 2.276 178.882 176.600 0.010 0.000 1.049 195 K CA 1.484 57.775 56.287 0.008 0.000 0.933 195 K CB -0.411 32.093 32.500 0.006 0.000 0.717 195 K HN 0.493 nan 8.250 nan 0.000 0.442 196 A N 1.200 124.025 122.820 0.009 0.000 1.930 196 A HA -0.105 4.215 4.320 0.000 0.000 0.217 196 A C 2.077 179.670 177.584 0.015 0.000 1.175 196 A CA 1.143 53.187 52.037 0.011 0.000 0.627 196 A CB -0.518 18.487 19.000 0.008 0.000 0.815 196 A HN 0.145 nan 8.150 nan 0.000 0.443 197 L N -0.362 120.870 121.223 0.014 0.000 2.056 197 L HA -0.169 4.171 4.340 0.000 0.000 0.207 197 L C 2.142 179.024 176.870 0.021 0.000 1.078 197 L CA 1.138 55.989 54.840 0.018 0.000 0.749 197 L CB -0.623 41.445 42.059 0.016 0.000 0.901 197 L HN 0.331 nan 8.230 nan 0.000 0.433 198 N N -0.475 118.236 118.700 0.017 0.000 2.309 198 N HA -0.112 4.628 4.740 0.000 0.000 0.182 198 N C 1.875 177.396 175.510 0.019 0.000 1.018 198 N CA 1.169 54.230 53.050 0.018 0.000 0.876 198 N CB -0.080 38.416 38.487 0.014 0.000 0.972 198 N HN 0.167 nan 8.380 nan 0.000 0.434 199 S N 0.077 115.787 115.700 0.018 0.000 2.528 199 S HA 0.231 4.701 4.470 0.000 0.000 0.219 199 S C 0.849 175.462 174.600 0.021 0.000 0.985 199 S CA -0.282 57.928 58.200 0.017 0.000 0.914 199 S CB 0.115 63.323 63.200 0.014 0.000 0.776 199 S HN 0.410 nan 8.310 nan 0.000 0.526 200 A N 1.968 124.804 122.820 0.027 0.000 2.511 200 A HA 0.314 4.634 4.320 0.000 0.000 0.242 200 A C 1.363 178.970 177.584 0.038 0.000 1.069 200 A CA 0.166 52.224 52.037 0.035 0.000 0.763 200 A CB 0.184 19.211 19.000 0.044 0.000 1.001 200 A HN 0.408 nan 8.150 nan 0.000 0.498 201 S N 0.920 116.643 115.700 0.038 0.000 2.478 201 S HA 0.034 4.504 4.470 0.000 0.000 0.222 201 S C 0.629 175.258 174.600 0.049 0.000 1.008 201 S CA 0.791 59.011 58.200 0.035 0.000 0.928 201 S CB -0.096 63.117 63.200 0.022 0.000 0.781 201 S HN 0.790 nan 8.310 nan 0.000 0.518 202 N N 1.907 120.654 118.700 0.078 0.000 2.666 202 N HA 0.360 5.100 4.740 0.000 0.000 0.253 202 N C -3.259 172.407 175.510 0.261 0.000 1.621 202 N CA -1.602 51.527 53.050 0.132 0.000 0.785 202 N CB 1.307 39.826 38.487 0.053 0.000 1.332 202 N HN 0.137 nan 8.380 nan 0.000 0.514 203 P HA 0.344 nan 4.420 nan 0.000 0.272 203 P C -0.949 176.398 177.300 0.078 0.000 1.230 203 P CA -0.284 62.890 63.100 0.124 0.000 0.788 203 P CB 1.459 33.197 31.700 0.064 0.000 0.949 204 A N 2.229 125.010 122.820 -0.064 0.000 2.454 204 A HA 0.775 5.095 4.320 0.000 0.000 0.302 204 A C -0.795 176.756 177.584 -0.054 0.000 1.079 204 A CA -0.838 51.094 52.037 -0.176 0.000 0.731 204 A CB 1.128 19.849 19.000 -0.465 0.000 1.299 204 A HN 0.443 nan 8.150 nan 0.000 0.413 205 I N 1.009 121.559 120.570 -0.035 0.000 2.509 205 I HA 0.518 4.688 4.170 0.000 0.000 0.293 205 I C -0.986 175.139 176.117 0.012 0.000 1.020 205 I CA -0.954 60.327 61.300 -0.032 0.000 1.088 205 I CB 2.189 40.136 38.000 -0.088 0.000 1.267 205 I HN 0.316 nan 8.210 nan 0.000 0.430 206 V N 6.911 126.841 119.914 0.026 0.000 2.487 206 V HA 0.509 4.629 4.120 0.000 0.000 0.298 206 V C -0.299 175.810 176.094 0.026 0.000 1.028 206 V CA -0.539 61.786 62.300 0.042 0.000 0.860 206 V CB 1.957 33.826 31.823 0.076 0.000 0.991 206 V HN 0.459 nan 8.190 nan 0.000 0.427 207 L N 3.859 125.086 121.223 0.007 0.000 2.365 207 L HA 0.892 5.232 4.340 0.000 0.000 0.273 207 L C 0.644 177.541 176.870 0.045 0.000 1.000 207 L CA -0.302 54.557 54.840 0.031 0.000 0.819 207 L CB 2.050 44.134 42.059 0.041 0.000 1.284 207 L HN 0.771 nan 8.230 nan 0.000 0.418 208 G N 1.064 109.901 108.800 0.060 0.000 3.075 208 G HA2 0.541 4.501 3.960 0.000 0.000 0.253 208 G HA3 0.541 4.501 3.960 0.000 0.000 0.253 208 G C -2.202 172.752 174.900 0.089 0.000 1.353 208 G CA -0.865 44.276 45.100 0.068 0.000 1.051 208 G HN 0.401 nan 8.290 nan 0.000 0.553 209 P HA 0.000 nan 4.420 nan 0.000 0.222 209 P C 0.547 177.913 177.300 0.110 0.000 1.153 209 P CA 0.860 64.029 63.100 0.115 0.000 0.798 209 P CB 0.340 32.107 31.700 0.112 0.000 0.796 210 D N -0.244 120.221 120.400 0.108 0.000 2.310 210 D HA -0.058 4.582 4.640 0.000 0.000 0.212 210 D C 1.998 178.339 176.300 0.068 0.000 0.965 210 D CA 0.571 54.630 54.000 0.097 0.000 0.879 210 D CB -0.214 40.640 40.800 0.090 0.000 0.921 210 D HN 0.053 nan 8.370 nan 0.000 0.510 211 V N 1.184 121.141 119.914 0.072 0.000 2.261 211 V HA -0.244 3.876 4.120 0.000 0.000 0.246 211 V C 2.224 178.358 176.094 0.068 0.000 1.047 211 V CA 1.899 64.240 62.300 0.067 0.000 1.015 211 V CB -0.383 31.490 31.823 0.083 0.000 0.642 211 V HN 0.069 nan 8.190 nan 0.000 0.446 212 D N -0.013 120.434 120.400 0.079 0.000 2.144 212 D HA -0.122 4.518 4.640 0.000 0.000 0.199 212 D C 2.106 178.449 176.300 0.072 0.000 0.984 212 D CA 1.388 55.429 54.000 0.068 0.000 0.834 212 D CB -0.160 40.676 40.800 0.062 0.000 0.955 212 D HN 0.362 nan 8.370 nan 0.000 0.465 213 A N 0.380 123.252 122.820 0.087 0.000 1.940 213 A HA -0.021 4.299 4.320 0.000 0.000 0.219 213 A C 2.259 179.876 177.584 0.056 0.000 1.176 213 A CA 2.059 54.148 52.037 0.086 0.000 0.631 213 A CB -0.888 18.168 19.000 0.093 0.000 0.814 213 A HN 0.307 nan 8.150 nan 0.000 0.446 214 A N -1.495 121.351 122.820 0.044 0.000 2.238 214 A HA 0.159 4.479 4.320 0.000 0.000 0.208 214 A C 1.017 178.617 177.584 0.026 0.000 1.177 214 A CA 0.815 52.869 52.037 0.028 0.000 0.804 214 A CB -0.485 18.528 19.000 0.021 0.000 0.823 214 A HN 0.573 nan 8.150 nan 0.000 0.482 215 N N -2.090 116.629 118.700 0.031 0.000 2.727 215 N HA -0.223 4.517 4.740 0.000 0.000 0.249 215 N C 0.572 176.091 175.510 0.016 0.000 1.048 215 N CA 0.903 53.965 53.050 0.021 0.000 0.714 215 N CB -1.355 37.140 38.487 0.014 0.000 0.959 215 N HN 0.609 nan 8.380 nan 0.000 0.544 216 A N -0.829 122.006 122.820 0.025 0.000 2.251 216 A HA 0.121 4.442 4.320 0.000 0.000 0.209 216 A C 1.729 179.331 177.584 0.030 0.000 1.187 216 A CA 0.617 52.670 52.037 0.026 0.000 0.823 216 A CB -0.010 19.009 19.000 0.032 0.000 0.846 216 A HN 0.482 nan 8.150 nan 0.000 0.486 217 N N 1.713 120.425 118.700 0.021 0.000 2.043 217 N HA -0.174 4.566 4.740 0.000 0.000 0.193 217 N C 1.820 177.302 175.510 -0.048 0.000 1.037 217 N CA 1.956 55.011 53.050 0.008 0.000 0.851 217 N CB -0.493 37.979 38.487 -0.026 0.000 1.027 217 N HN 0.442 nan 8.380 nan 0.000 0.422 218 A N 0.885 123.670 122.820 -0.058 0.000 1.933 218 A HA -0.146 4.174 4.320 0.000 0.000 0.218 218 A C 1.658 179.217 177.584 -0.041 0.000 1.175 218 A CA 1.604 53.595 52.037 -0.076 0.000 0.628 218 A CB -0.468 18.500 19.000 -0.054 0.000 0.814 218 A HN 0.153 nan 8.150 nan 0.000 0.444 219 D N -0.383 120.012 120.400 -0.009 0.000 2.144 219 D HA -0.120 4.520 4.640 0.000 0.000 0.199 219 D C 2.000 178.320 176.300 0.033 0.000 0.984 219 D CA 1.397 55.403 54.000 0.010 0.000 0.834 219 D CB -0.519 40.290 40.800 0.015 0.000 0.955 219 D HN 0.457 nan 8.370 nan 0.000 0.465 220 C N 0.321 119.657 119.300 0.061 0.000 2.435 220 C HA -0.049 4.411 4.460 0.000 0.000 0.279 220 C C 2.936 178.049 174.990 0.205 0.000 1.321 220 C CA 0.004 59.103 59.018 0.135 0.000 1.752 220 C CB -0.770 27.089 27.740 0.199 0.000 1.959 220 C HN 0.164 nan 8.230 nan 0.000 0.500 221 V N 0.920 120.869 119.914 0.058 0.000 2.287 221 V HA -0.294 3.826 4.120 0.000 0.000 0.248 221 V C 2.472 178.565 176.094 -0.001 0.000 1.053 221 V CA 2.449 64.674 62.300 -0.125 0.000 1.027 221 V CB -0.653 30.932 31.823 -0.397 0.000 0.646 221 V HN 0.547 nan 8.190 nan 0.000 0.447 222 M N -0.126 119.480 119.600 0.009 0.000 2.086 222 M HA -0.148 4.332 4.480 0.000 0.000 0.261 222 M C 1.882 178.211 176.300 0.049 0.000 1.067 222 M CA 1.933 57.252 55.300 0.031 0.000 1.116 222 M CB -0.717 31.894 32.600 0.018 0.000 1.348 222 M HN 0.265 nan 8.290 nan 0.000 0.407 223 L N 0.565 121.820 121.223 0.053 0.000 2.012 223 L HA -0.070 4.270 4.340 0.000 0.000 0.210 223 L C 2.366 179.271 176.870 0.058 0.000 1.073 223 L CA 2.416 57.286 54.840 0.050 0.000 0.748 223 L CB -1.369 40.718 42.059 0.046 0.000 0.891 223 L HN 0.388 nan 8.230 nan 0.000 0.431 224 A N -1.004 121.865 122.820 0.083 0.000 1.902 224 A HA -0.220 4.100 4.320 0.000 0.000 0.217 224 A C 2.162 179.809 177.584 0.104 0.000 1.181 224 A CA 1.792 53.876 52.037 0.078 0.000 0.623 224 A CB -0.622 18.445 19.000 0.111 0.000 0.818 224 A HN 0.626 nan 8.150 nan 0.000 0.443 225 E N -0.682 119.594 120.200 0.127 0.000 2.072 225 E HA -0.157 4.193 4.350 0.000 0.000 0.191 225 E C 2.362 179.011 176.600 0.081 0.000 0.985 225 E CA 0.787 57.266 56.400 0.132 0.000 0.801 225 E CB -0.142 29.644 29.700 0.142 0.000 0.750 225 E HN 0.361 nan 8.360 nan 0.000 0.452 226 R N 0.507 121.045 120.500 0.062 0.000 2.073 226 R HA -0.089 4.251 4.340 0.000 0.000 0.234 226 R C 2.338 178.663 176.300 0.042 0.000 1.134 226 R CA 0.977 57.104 56.100 0.045 0.000 0.952 226 R CB -0.537 29.785 30.300 0.036 0.000 0.850 226 R HN 0.261 nan 8.270 nan 0.000 0.433 227 L N 1.145 122.393 121.223 0.043 0.000 2.552 227 L HA 0.009 4.349 4.340 0.000 0.000 0.227 227 L C 0.234 177.130 176.870 0.042 0.000 1.146 227 L CA 0.243 55.105 54.840 0.038 0.000 0.858 227 L CB -0.105 41.973 42.059 0.032 0.000 0.969 227 L HN 0.073 nan 8.230 nan 0.000 0.451 228 K N -0.380 120.050 120.400 0.051 0.000 3.096 228 K HA -0.176 4.144 4.320 0.000 0.000 0.266 228 K C 0.001 176.627 176.600 0.044 0.000 1.043 228 K CA 0.865 57.184 56.287 0.052 0.000 0.758 228 K CB -2.054 30.473 32.500 0.044 0.000 1.260 228 K HN 0.330 nan 8.250 nan 0.000 0.481 229 A N 1.205 124.043 122.820 0.029 0.000 2.317 229 A HA 0.646 4.966 4.320 0.000 0.000 0.327 229 A C -2.074 175.463 177.584 -0.079 0.000 1.178 229 A CA -1.490 50.543 52.037 -0.006 0.000 0.817 229 A CB 0.924 19.913 19.000 -0.017 0.000 1.189 229 A HN -0.029 nan 8.150 nan 0.000 0.489 230 P HA 0.268 nan 4.420 nan 0.000 0.271 230 P C -0.731 176.281 177.300 -0.479 0.000 1.218 230 P CA 0.036 62.909 63.100 -0.379 0.000 0.780 230 P CB 0.943 32.333 31.700 -0.518 0.000 0.901 231 V N 3.498 123.014 119.914 -0.663 0.000 2.483 231 V HA 0.354 4.474 4.120 0.000 0.000 0.297 231 V C -0.160 175.466 176.094 -0.780 0.000 1.027 231 V CA -0.456 61.460 62.300 -0.639 0.000 0.855 231 V CB 1.667 32.907 31.823 -0.970 0.000 0.995 231 V HN 0.608 nan 8.190 nan 0.000 0.424 232 W N 2.850 123.882 121.300 -0.446 0.000 2.647 232 W HA 0.676 5.336 4.660 0.000 0.000 0.353 232 W C -0.707 175.583 176.519 -0.382 0.000 1.080 232 W CA -0.725 56.327 57.345 -0.488 0.000 1.208 232 W CB 2.213 31.422 29.460 -0.418 0.000 1.396 232 W HN 0.263 nan 8.180 nan 0.000 0.573 233 V N 2.389 122.192 119.914 -0.184 0.000 2.439 233 V HA 0.363 4.483 4.120 0.000 0.000 0.282 233 V C 0.676 176.631 176.094 -0.230 0.000 1.039 233 V CA -0.903 61.283 62.300 -0.190 0.000 0.913 233 V CB 0.430 32.042 31.823 -0.352 0.000 0.983 233 V HN 0.582 nan 8.190 nan 0.000 0.460 234 A N 8.316 131.050 122.820 -0.143 0.000 2.507 234 A HA 0.447 4.767 4.320 0.000 0.000 0.235 234 A C -1.855 175.604 177.584 -0.208 0.000 1.070 234 A CA -0.736 51.207 52.037 -0.157 0.000 0.768 234 A CB -0.357 18.651 19.000 0.013 0.000 1.011 234 A HN 0.700 nan 8.150 nan 0.000 0.502 235 P HA 0.133 nan 4.420 nan 0.000 0.272 235 P C -0.053 177.179 177.300 -0.112 0.000 1.230 235 P CA 0.381 63.353 63.100 -0.214 0.000 0.788 235 P CB 0.578 32.157 31.700 -0.202 0.000 0.949 236 S N -2.156 113.481 115.700 -0.105 0.000 3.698 236 S HA -0.162 4.308 4.470 0.000 0.000 0.338 236 S C 0.588 175.218 174.600 0.049 0.000 1.089 236 S CA 0.698 58.884 58.200 -0.024 0.000 0.991 236 S CB -2.222 61.018 63.200 0.066 0.000 0.909 236 S HN 0.944 nan 8.310 nan 0.000 0.485 237 A N 0.833 123.645 122.820 -0.013 0.000 2.522 237 A HA 0.434 4.754 4.320 0.000 0.000 0.256 237 A C -0.638 177.191 177.584 0.408 0.000 1.086 237 A CA -0.763 51.362 52.037 0.147 0.000 0.763 237 A CB 0.149 19.201 19.000 0.088 0.000 1.024 237 A HN 0.269 nan 8.150 nan 0.000 0.502 238 P HA 0.042 nan 4.420 nan 0.000 0.227 238 P C 0.249 177.773 177.300 0.372 0.000 1.161 238 P CA 0.920 64.241 63.100 0.368 0.000 0.788 238 P CB 0.324 32.121 31.700 0.161 0.000 0.822 239 R N -2.640 118.082 120.500 0.370 0.000 2.831 239 R HA 0.563 4.903 4.340 0.000 0.000 0.266 239 R C -1.384 175.142 176.300 0.376 0.000 1.051 239 R CA -0.819 55.433 56.100 0.254 0.000 0.943 239 R CB 1.220 31.570 30.300 0.083 0.000 1.228 239 R HN -0.138 nan 8.270 nan 0.000 0.467 240 C N 2.878 122.315 119.300 0.229 0.000 2.281 240 C HA 0.518 4.978 4.460 0.000 0.000 0.323 240 C C -1.682 173.408 174.990 0.166 0.000 1.270 240 C CA -1.948 57.227 59.018 0.262 0.000 1.559 240 C CB 0.762 28.523 27.740 0.035 0.000 2.239 240 C HN 0.629 nan 8.230 nan 0.000 0.488 241 P HA 0.209 nan 4.420 nan 0.000 0.268 241 P C -0.290 177.159 177.300 0.248 0.000 1.329 241 P CA 0.296 63.506 63.100 0.184 0.000 0.899 241 P CB 0.150 31.956 31.700 0.177 0.000 1.378 242 F N 1.082 121.022 119.950 -0.017 0.000 2.678 242 F HA 0.485 5.012 4.527 0.000 0.000 0.308 242 F C -2.728 172.919 175.800 -0.256 0.000 1.118 242 F CA -2.420 55.519 58.000 -0.101 0.000 0.959 242 F CB 1.836 40.831 39.000 -0.009 0.000 1.305 242 F HN -0.365 nan 8.300 nan 0.000 0.443 243 P HA 0.128 nan 4.420 nan 0.000 0.271 243 P C 0.347 177.405 177.300 -0.404 0.000 1.226 243 P CA 0.123 63.013 63.100 -0.350 0.000 0.765 243 P CB 0.623 32.132 31.700 -0.318 0.000 0.835 244 T N 0.179 114.446 114.554 -0.479 0.000 3.148 244 T HA 0.062 4.412 4.350 0.000 0.000 0.253 244 T C 1.024 175.601 174.700 -0.204 0.000 1.134 244 T CA 0.415 62.066 62.100 -0.749 0.000 1.051 244 T CB -0.273 68.325 68.868 -0.450 0.000 0.959 244 T HN 0.150 nan 8.240 nan 0.000 0.525 245 R N 0.485 120.936 120.500 -0.082 0.000 2.543 245 R HA 0.225 4.565 4.340 0.000 0.000 0.323 245 R C 0.256 176.591 176.300 0.058 0.000 1.002 245 R CA -0.371 55.742 56.100 0.022 0.000 1.106 245 R CB -0.420 29.875 30.300 -0.009 0.000 1.280 245 R HN 0.583 nan 8.270 nan 0.000 0.549 246 H N 2.790 121.862 119.070 0.003 0.000 2.897 246 H HA 0.038 4.594 4.556 0.000 0.000 0.347 246 H C -1.420 173.990 175.328 0.137 0.000 1.068 246 H CA -0.986 55.093 56.048 0.052 0.000 1.426 246 H CB 1.640 31.427 29.762 0.042 0.000 1.410 246 H HN -0.155 nan 8.280 nan 0.000 0.597 247 P HA -0.116 nan 4.420 nan 0.000 0.218 247 P C 1.456 178.842 177.300 0.143 0.000 1.148 247 P CA 1.051 64.142 63.100 -0.015 0.000 0.822 247 P CB -0.097 31.529 31.700 -0.124 0.000 0.784 248 C N -2.262 117.270 119.300 0.386 0.000 2.456 248 C HA 0.074 4.535 4.460 0.000 0.000 0.279 248 C C 1.368 176.388 174.990 0.050 0.000 1.427 248 C CA -0.550 58.597 59.018 0.215 0.000 1.778 248 C CB -2.103 25.796 27.740 0.265 0.000 1.842 248 C HN 0.098 nan 8.230 nan 0.000 0.531 249 F N 1.974 121.962 119.950 0.063 0.000 2.538 249 F HA 0.231 4.758 4.527 0.000 0.000 0.371 249 F C 1.281 176.916 175.800 -0.275 0.000 1.087 249 F CA 0.166 58.098 58.000 -0.115 0.000 1.250 249 F CB 0.446 39.528 39.000 0.136 0.000 1.110 249 F HN -0.028 nan 8.300 nan 0.000 0.570 250 R N 3.675 123.482 120.500 -1.156 0.000 2.509 250 R HA 0.324 4.664 4.340 0.000 0.000 0.297 250 R C 0.611 176.287 176.300 -1.041 0.000 0.951 250 R CA 0.362 55.809 56.100 -1.088 0.000 1.103 250 R CB 0.068 29.359 30.300 -1.681 0.000 1.283 250 R HN 0.977 nan 8.270 nan 0.000 0.534 251 G N 1.406 109.204 108.800 -1.671 0.000 2.627 251 G HA2 -0.262 3.698 3.960 0.000 0.000 0.214 251 G HA3 -0.262 3.698 3.960 0.000 0.000 0.214 251 G C -1.043 173.449 174.900 -0.680 0.000 1.331 251 G CA -0.507 44.010 45.100 -0.971 0.000 0.891 251 G HN 0.159 nan 8.290 nan 0.000 0.539 252 L N 0.785 121.655 121.223 -0.588 0.000 2.319 252 L HA 0.698 5.038 4.340 0.000 0.000 0.280 252 L C 1.105 177.748 176.870 -0.379 0.000 1.099 252 L CA -0.138 54.286 54.840 -0.694 0.000 0.828 252 L CB 0.563 41.991 42.059 -1.051 0.000 1.150 252 L HN 0.597 nan 8.230 nan 0.000 0.442 253 M N 7.946 127.341 119.600 -0.342 0.000 2.239 253 M HA 0.240 4.720 4.480 0.000 0.000 0.348 253 M C -1.932 174.193 176.300 -0.291 0.000 1.239 253 M CA -1.489 53.609 55.300 -0.336 0.000 1.114 253 M CB 0.357 32.673 32.600 -0.473 0.000 1.641 253 M HN 0.487 nan 8.290 nan 0.000 0.453 254 P HA 0.045 nan 4.420 nan 0.000 0.268 254 P C -0.795 176.429 177.300 -0.127 0.000 1.205 254 P CA -0.111 62.893 63.100 -0.161 0.000 0.771 254 P CB 0.461 32.086 31.700 -0.126 0.000 0.858 255 A N 2.921 125.709 122.820 -0.055 0.000 3.074 255 A HA 0.505 4.825 4.320 0.000 0.000 0.251 255 A C 0.819 178.504 177.584 0.168 0.000 1.695 255 A CA 0.030 52.100 52.037 0.055 0.000 1.343 255 A CB -1.217 17.848 19.000 0.108 0.000 1.078 255 A HN 0.648 nan 8.150 nan 0.000 0.644 256 G N -0.806 108.079 108.800 0.142 0.000 2.620 256 G HA2 0.487 4.447 3.960 0.000 0.000 0.301 256 G HA3 0.487 4.447 3.960 0.000 0.000 0.301 256 G C 0.552 175.444 174.900 -0.012 0.000 1.347 256 G CA -0.648 44.481 45.100 0.048 0.000 0.971 256 G HN 0.151 nan 8.290 nan 0.000 0.488 257 I N 1.325 121.680 120.570 -0.358 0.000 2.113 257 I HA -0.214 3.956 4.170 0.000 0.000 0.238 257 I C 3.063 179.074 176.117 -0.175 0.000 1.070 257 I CA 1.904 62.950 61.300 -0.422 0.000 1.332 257 I CB -0.077 37.541 38.000 -0.638 0.000 1.044 257 I HN 0.558 nan 8.210 nan 0.000 0.402 258 A N 0.542 123.237 122.820 -0.208 0.000 1.898 258 A HA -0.124 4.196 4.320 0.000 0.000 0.216 258 A C 2.524 180.037 177.584 -0.117 0.000 1.181 258 A CA 1.725 53.668 52.037 -0.156 0.000 0.620 258 A CB -0.878 18.024 19.000 -0.164 0.000 0.819 258 A HN 0.444 nan 8.150 nan 0.000 0.442 259 A N -0.046 122.706 122.820 -0.113 0.000 1.908 259 A HA -0.116 4.204 4.320 0.000 0.000 0.218 259 A C 2.131 179.622 177.584 -0.156 0.000 1.181 259 A CA 1.643 53.611 52.037 -0.116 0.000 0.627 259 A CB -0.575 18.362 19.000 -0.105 0.000 0.818 259 A HN 0.506 nan 8.150 nan 0.000 0.445 260 I N 0.427 120.909 120.570 -0.147 0.000 2.286 260 I HA -0.211 3.959 4.170 0.000 0.000 0.245 260 I C 2.861 178.871 176.117 -0.178 0.000 1.104 260 I CA 1.469 62.627 61.300 -0.237 0.000 1.397 260 I CB -0.236 37.613 38.000 -0.252 0.000 1.072 260 I HN 0.508 nan 8.210 nan 0.000 0.417 261 S N 0.221 115.877 115.700 -0.072 0.000 2.402 261 S HA -0.260 4.210 4.470 0.000 0.000 0.229 261 S C 1.915 176.468 174.600 -0.079 0.000 1.021 261 S CA 1.154 59.328 58.200 -0.043 0.000 0.974 261 S CB -0.367 62.828 63.200 -0.007 0.000 0.800 261 S HN 0.372 nan 8.310 nan 0.000 0.484 262 Q N 1.499 121.240 119.800 -0.099 0.000 2.083 262 Q HA 0.164 4.504 4.340 0.000 0.000 0.198 262 Q C 2.001 177.934 176.000 -0.110 0.000 0.969 262 Q CA 1.392 57.142 55.803 -0.089 0.000 0.838 262 Q CB -0.751 27.937 28.738 -0.083 0.000 0.900 262 Q HN 0.638 nan 8.270 nan 0.000 0.436 263 L N -0.306 120.804 121.223 -0.187 0.000 2.079 263 L HA -0.156 4.184 4.340 0.000 0.000 0.210 263 L C 1.944 178.666 176.870 -0.246 0.000 1.081 263 L CA 0.969 55.648 54.840 -0.267 0.000 0.752 263 L CB -0.274 41.459 42.059 -0.545 0.000 0.896 263 L HN 0.288 nan 8.230 nan 0.000 0.433 264 L N -0.823 120.266 121.223 -0.223 0.000 2.558 264 L HA 0.009 4.349 4.340 0.000 0.000 0.225 264 L C 1.136 178.041 176.870 0.057 0.000 1.128 264 L CA -0.202 54.598 54.840 -0.066 0.000 0.868 264 L CB -0.284 41.706 42.059 -0.114 0.000 1.006 264 L HN 0.222 nan 8.230 nan 0.000 0.454 265 E N 0.643 120.836 120.200 -0.012 0.000 2.452 265 E HA 0.107 4.457 4.350 0.000 0.000 0.261 265 E C 1.194 177.753 176.600 -0.067 0.000 0.987 265 E CA 0.821 57.206 56.400 -0.025 0.000 0.926 265 E CB 0.414 30.090 29.700 -0.040 0.000 0.934 265 E HN 0.290 nan 8.360 nan 0.000 0.452 266 G N 3.971 112.729 108.800 -0.069 0.000 2.225 266 G HA2 -0.252 3.708 3.960 0.000 0.000 0.254 266 G HA3 -0.252 3.708 3.960 0.000 0.000 0.254 266 G C -0.047 174.745 174.900 -0.180 0.000 0.988 266 G CA 0.253 45.275 45.100 -0.131 0.000 0.625 266 G HN 0.728 nan 8.290 nan 0.000 0.527 267 H N 1.769 120.847 119.070 0.014 0.000 2.723 267 H HA 0.253 4.809 4.556 0.000 0.000 0.294 267 H C 1.255 176.594 175.328 0.019 0.000 1.079 267 H CA 0.452 56.516 56.048 0.028 0.000 1.411 267 H CB 1.358 31.144 29.762 0.041 0.000 1.439 267 H HN 0.500 nan 8.280 nan 0.000 0.474 268 D N 2.359 122.831 120.400 0.121 0.000 2.194 268 D HA -0.062 4.578 4.640 0.000 0.000 0.204 268 D C 0.471 176.813 176.300 0.071 0.000 0.964 268 D CA 0.441 54.484 54.000 0.071 0.000 0.846 268 D CB 0.413 41.241 40.800 0.047 0.000 0.962 268 D HN 0.109 nan 8.370 nan 0.000 0.490 269 V N 1.165 121.129 119.914 0.084 0.000 2.483 269 V HA 0.343 4.463 4.120 0.000 0.000 0.297 269 V C -0.497 175.631 176.094 0.055 0.000 1.027 269 V CA -0.999 61.335 62.300 0.057 0.000 0.855 269 V CB 2.491 34.339 31.823 0.042 0.000 0.995 269 V HN -0.088 nan 8.190 nan 0.000 0.424 270 V N 5.984 125.922 119.914 0.039 0.000 2.357 270 V HA 0.450 4.570 4.120 0.000 0.000 0.284 270 V C -0.431 175.674 176.094 0.018 0.000 1.018 270 V CA -0.550 61.763 62.300 0.021 0.000 0.841 270 V CB 1.650 33.489 31.823 0.027 0.000 0.991 270 V HN 0.671 nan 8.190 nan 0.000 0.437 271 L N 7.457 128.687 121.223 0.011 0.000 2.265 271 L HA 0.612 4.952 4.340 0.000 0.000 0.289 271 L C -0.334 176.545 176.870 0.015 0.000 1.033 271 L CA 0.227 55.071 54.840 0.007 0.000 0.814 271 L CB 1.404 43.465 42.059 0.004 0.000 1.203 271 L HN 0.447 nan 8.230 nan 0.000 0.423 272 V N 6.793 126.714 119.914 0.011 0.000 2.427 272 V HA 0.500 4.620 4.120 0.000 0.000 0.286 272 V C 0.112 176.209 176.094 0.005 0.000 1.034 272 V CA -0.421 61.895 62.300 0.026 0.000 0.893 272 V CB 1.436 33.266 31.823 0.013 0.000 0.982 272 V HN 0.591 nan 8.190 nan 0.000 0.452 273 I N 3.346 123.927 120.570 0.018 0.000 2.447 273 I HA 0.609 4.779 4.170 0.000 0.000 0.287 273 I C 0.911 177.043 176.117 0.025 0.000 1.023 273 I CA -0.482 60.827 61.300 0.014 0.000 1.083 273 I CB 1.772 39.784 38.000 0.020 0.000 1.245 273 I HN 0.833 nan 8.210 nan 0.000 0.434 274 G N 4.340 113.151 108.800 0.017 0.000 2.176 274 G HA2 -0.055 3.905 3.960 0.000 0.000 0.252 274 G HA3 -0.055 3.905 3.960 0.000 0.000 0.252 274 G C -0.051 174.879 174.900 0.051 0.000 1.024 274 G CA 0.230 45.351 45.100 0.035 0.000 0.755 274 G HN 1.035 nan 8.290 nan 0.000 0.507 275 A N -0.584 122.256 122.820 0.032 0.000 2.498 275 A HA 0.966 5.286 4.320 0.000 0.000 0.298 275 A C -2.545 175.031 177.584 -0.013 0.000 1.075 275 A CA -1.447 50.610 52.037 0.033 0.000 0.714 275 A CB 1.870 20.910 19.000 0.067 0.000 1.299 275 A HN 0.105 nan 8.150 nan 0.000 0.407 276 P HA 0.315 nan 4.420 nan 0.000 0.270 276 P C -0.721 176.452 177.300 -0.212 0.000 1.223 276 P CA -0.143 62.903 63.100 -0.089 0.000 0.785 276 P CB 0.581 32.247 31.700 -0.057 0.000 0.923 277 V N 2.912 122.592 119.914 -0.389 0.000 2.284 277 V HA 0.361 4.481 4.120 0.000 0.000 0.274 277 V C -0.450 175.299 176.094 -0.575 0.000 1.023 277 V CA -0.017 61.737 62.300 -0.911 0.000 0.808 277 V CB -0.704 30.613 31.823 -0.843 0.000 1.035 277 V HN 0.362 nan 8.190 nan 0.000 0.445 278 F N 2.368 122.058 119.950 -0.433 0.000 2.598 278 F HA 0.621 5.148 4.527 0.000 0.000 0.327 278 F C 0.614 176.076 175.800 -0.563 0.000 1.057 278 F CA -1.383 56.251 58.000 -0.610 0.000 0.957 278 F CB 1.696 40.123 39.000 -0.955 0.000 1.278 278 F HN 0.196 nan 8.300 nan 0.000 0.484 279 R N 1.567 121.996 120.500 -0.119 0.000 4.164 279 R HA 0.214 4.554 4.340 0.000 0.000 0.195 279 R C -1.250 175.047 176.300 -0.004 0.000 1.712 279 R CA -0.117 55.959 56.100 -0.040 0.000 1.457 279 R CB -1.346 28.954 30.300 -0.000 0.000 1.387 279 R HN 0.357 nan 8.270 nan 0.000 0.785 280 Y N -0.254 120.133 120.300 0.145 0.000 2.394 280 Y HA 0.016 4.566 4.550 0.000 0.000 0.351 280 Y C 1.808 177.812 175.900 0.174 0.000 1.272 280 Y CA 0.751 58.930 58.100 0.132 0.000 1.508 280 Y CB 0.403 38.949 38.460 0.142 0.000 1.369 280 Y HN 0.464 nan 8.280 nan 0.000 0.639 281 H N -1.118 118.077 119.070 0.209 0.000 2.356 281 H HA 0.125 4.681 4.556 0.000 0.000 0.149 281 H C 0.041 175.428 175.328 0.097 0.000 1.057 281 H CA -0.088 56.029 56.048 0.114 0.000 1.093 281 H CB 0.473 30.272 29.762 0.063 0.000 0.960 281 H HN 0.641 nan 8.280 nan 0.000 0.316 282 Q N 1.274 121.094 119.800 0.033 0.000 2.417 282 Q HA -0.051 4.289 4.340 0.000 0.000 0.241 282 Q C -0.882 175.192 176.000 0.124 0.000 1.008 282 Q CA -0.315 55.483 55.803 -0.009 0.000 0.901 282 Q CB 0.699 29.396 28.738 -0.068 0.000 1.259 282 Q HN 0.458 nan 8.270 nan 0.000 0.489 283 Y N 1.462 121.781 120.300 0.032 0.000 2.537 283 Y HA 0.133 4.683 4.550 0.000 0.000 0.339 283 Y C -0.760 175.135 175.900 -0.007 0.000 1.066 283 Y CA 0.103 58.214 58.100 0.018 0.000 1.357 283 Y CB 0.514 39.005 38.460 0.051 0.000 1.175 283 Y HN 0.772 nan 8.280 nan 0.000 0.525 284 D N 8.432 128.557 120.400 -0.458 0.000 2.978 284 D HA 0.215 4.855 4.640 0.000 0.000 0.268 284 D C -3.078 172.931 176.300 -0.485 0.000 1.252 284 D CA -1.469 52.305 54.000 -0.377 0.000 0.771 284 D CB 0.723 41.405 40.800 -0.197 0.000 1.361 284 D HN 0.242 nan 8.370 nan 0.000 0.558 285 P HA 0.538 nan 4.420 nan 0.000 0.272 285 P C 0.437 177.524 177.300 -0.356 0.000 1.223 285 P CA 0.226 63.002 63.100 -0.540 0.000 0.784 285 P CB 1.767 33.131 31.700 -0.561 0.000 0.923 286 G N 0.919 109.517 108.800 -0.338 0.000 2.367 286 G HA2 0.084 4.044 3.960 0.000 0.000 0.272 286 G HA3 0.084 4.044 3.960 0.000 0.000 0.272 286 G C -1.600 173.116 174.900 -0.307 0.000 1.271 286 G CA -0.703 44.240 45.100 -0.260 0.000 0.893 286 G HN 0.466 nan 8.290 nan 0.000 0.485 287 Q N -0.416 119.256 119.800 -0.214 0.000 2.314 287 Q HA 0.416 4.756 4.340 0.000 0.000 0.258 287 Q C 0.318 176.229 176.000 -0.148 0.000 0.954 287 Q CA -0.472 55.226 55.803 -0.175 0.000 0.890 287 Q CB 1.186 29.879 28.738 -0.076 0.000 1.210 287 Q HN 0.510 nan 8.270 nan 0.000 0.410 288 Y N 1.126 121.421 120.300 -0.008 0.000 2.242 288 Y HA -0.053 4.497 4.550 0.000 0.000 0.291 288 Y C 0.533 176.476 175.900 0.072 0.000 1.137 288 Y CA 0.923 59.052 58.100 0.048 0.000 1.181 288 Y CB 0.329 38.827 38.460 0.064 0.000 0.989 288 Y HN 0.395 nan 8.280 nan 0.000 0.527 289 L N -0.323 121.012 121.223 0.186 0.000 2.434 289 L HA 0.368 4.708 4.340 0.000 0.000 0.260 289 L C -0.531 176.371 176.870 0.053 0.000 0.983 289 L CA -1.348 53.557 54.840 0.109 0.000 0.820 289 L CB 1.983 44.103 42.059 0.102 0.000 1.361 289 L HN -0.332 nan 8.230 nan 0.000 0.410 290 K N 1.274 121.690 120.400 0.026 0.000 2.168 290 K HA 0.376 4.696 4.320 0.000 0.000 0.258 290 K C -2.386 174.223 176.600 0.015 0.000 1.010 290 K CA -1.727 54.565 56.287 0.008 0.000 0.929 290 K CB 0.353 32.850 32.500 -0.006 0.000 0.998 290 K HN 0.203 nan 8.250 nan 0.000 0.479 291 P HA -0.004 nan 4.420 nan 0.000 0.264 291 P C 0.599 177.904 177.300 0.008 0.000 1.183 291 P CA 0.812 63.917 63.100 0.008 0.000 0.763 291 P CB 0.342 32.043 31.700 0.002 0.000 0.807 292 G N 1.345 110.152 108.800 0.012 0.000 2.194 292 G HA2 -0.187 3.773 3.960 0.000 0.000 0.236 292 G HA3 -0.187 3.773 3.960 0.000 0.000 0.236 292 G C 0.172 175.086 174.900 0.023 0.000 0.987 292 G CA -0.039 45.069 45.100 0.013 0.000 0.635 292 G HN 0.616 nan 8.290 nan 0.000 0.520 293 T N 1.173 115.745 114.554 0.030 0.000 2.758 293 T HA 0.586 4.936 4.350 0.000 0.000 0.285 293 T C 0.127 174.850 174.700 0.039 0.000 0.981 293 T CA -0.411 61.715 62.100 0.045 0.000 0.965 293 T CB 1.798 70.698 68.868 0.053 0.000 0.927 293 T HN 0.507 nan 8.240 nan 0.000 0.448 294 R N 3.665 124.186 120.500 0.036 0.000 2.346 294 R HA 0.646 4.986 4.340 0.000 0.000 0.311 294 R C -1.145 175.169 176.300 0.023 0.000 0.983 294 R CA -0.719 55.395 56.100 0.024 0.000 0.880 294 R CB 0.765 31.076 30.300 0.018 0.000 1.100 294 R HN 0.567 nan 8.270 nan 0.000 0.453 295 L N 5.846 127.075 121.223 0.009 0.000 2.329 295 L HA 0.572 4.912 4.340 0.000 0.000 0.279 295 L C -1.255 175.600 176.870 -0.025 0.000 1.014 295 L CA -0.664 54.174 54.840 -0.004 0.000 0.814 295 L CB 1.408 43.458 42.059 -0.014 0.000 1.257 295 L HN 0.664 nan 8.230 nan 0.000 0.424 296 I N 3.836 124.391 120.570 -0.025 0.000 2.447 296 I HA 0.356 4.526 4.170 0.000 0.000 0.287 296 I C -0.516 175.574 176.117 -0.045 0.000 1.023 296 I CA -0.402 60.879 61.300 -0.033 0.000 1.083 296 I CB 2.129 40.119 38.000 -0.017 0.000 1.245 296 I HN 0.586 nan 8.210 nan 0.000 0.434 297 S N 5.338 120.999 115.700 -0.066 0.000 2.451 297 S HA 0.725 5.195 4.470 0.000 0.000 0.301 297 S C -0.573 173.995 174.600 -0.054 0.000 1.116 297 S CA -0.776 57.379 58.200 -0.076 0.000 1.093 297 S CB 1.983 65.108 63.200 -0.125 0.000 1.017 297 S HN 0.278 nan 8.310 nan 0.000 0.482 298 V N 2.730 122.620 119.914 -0.040 0.000 2.347 298 V HA 0.709 4.829 4.120 0.000 0.000 0.280 298 V C 0.274 176.348 176.094 -0.034 0.000 1.021 298 V CA -0.290 61.990 62.300 -0.032 0.000 0.847 298 V CB 1.089 32.901 31.823 -0.019 0.000 0.990 298 V HN 1.061 nan 8.190 nan 0.000 0.444 299 T N 3.113 117.641 114.554 -0.042 0.000 2.909 299 T HA 0.242 4.592 4.350 0.000 0.000 0.299 299 T C 0.838 175.501 174.700 -0.062 0.000 1.073 299 T CA -0.123 61.951 62.100 -0.044 0.000 0.999 299 T CB 1.377 70.216 68.868 -0.048 0.000 1.098 299 T HN 0.872 nan 8.240 nan 0.000 0.477 300 C N 1.740 120.987 119.300 -0.088 0.000 2.576 300 C HA 0.436 4.896 4.460 0.000 0.000 0.267 300 C C 0.468 175.354 174.990 -0.174 0.000 1.364 300 C CA -0.409 58.525 59.018 -0.139 0.000 1.723 300 C CB -1.456 26.166 27.740 -0.197 0.000 1.778 300 C HN 0.752 nan 8.230 nan 0.000 0.572 301 D N 0.845 121.165 120.400 -0.133 0.000 2.505 301 D HA 0.357 4.997 4.640 0.000 0.000 0.250 301 D C -1.919 174.351 176.300 -0.051 0.000 1.164 301 D CA -1.914 52.018 54.000 -0.114 0.000 0.870 301 D CB 2.007 42.765 40.800 -0.071 0.000 1.160 301 D HN -0.109 nan 8.370 nan 0.000 0.549 302 P HA -0.107 nan 4.420 nan 0.000 0.216 302 P C 1.700 179.001 177.300 0.002 0.000 1.150 302 P CA 0.898 63.988 63.100 -0.017 0.000 0.843 302 P CB 0.369 32.064 31.700 -0.008 0.000 0.787 303 L N -0.798 120.440 121.223 0.026 0.000 2.131 303 L HA -0.170 4.170 4.340 0.000 0.000 0.210 303 L C 2.362 179.252 176.870 0.034 0.000 1.092 303 L CA 1.461 56.334 54.840 0.056 0.000 0.759 303 L CB -0.790 41.341 42.059 0.120 0.000 0.903 303 L HN 0.054 nan 8.230 nan 0.000 0.435 304 E N 0.183 120.392 120.200 0.015 0.000 2.047 304 E HA -0.185 4.165 4.350 0.000 0.000 0.191 304 E C 2.367 178.939 176.600 -0.047 0.000 0.987 304 E CA 1.092 57.483 56.400 -0.014 0.000 0.799 304 E CB -0.177 29.515 29.700 -0.014 0.000 0.752 304 E HN 0.479 nan 8.360 nan 0.000 0.449 305 A N 1.556 124.349 122.820 -0.045 0.000 1.908 305 A HA -0.159 4.161 4.320 0.000 0.000 0.218 305 A C 2.382 179.934 177.584 -0.053 0.000 1.181 305 A CA 1.810 53.812 52.037 -0.058 0.000 0.627 305 A CB -0.660 18.312 19.000 -0.047 0.000 0.818 305 A HN 0.296 nan 8.150 nan 0.000 0.445 306 A N 0.554 123.355 122.820 -0.031 0.000 1.898 306 A HA -0.145 4.175 4.320 0.000 0.000 0.216 306 A C 2.190 179.754 177.584 -0.033 0.000 1.181 306 A CA 1.640 53.663 52.037 -0.023 0.000 0.620 306 A CB -0.425 18.574 19.000 -0.002 0.000 0.819 306 A HN 0.720 nan 8.150 nan 0.000 0.442 307 R N -0.634 119.847 120.500 -0.032 0.000 2.297 307 R HA 0.457 4.797 4.340 0.000 0.000 0.197 307 R C 0.793 177.045 176.300 -0.081 0.000 0.943 307 R CA 0.559 56.639 56.100 -0.034 0.000 1.038 307 R CB -0.473 29.826 30.300 -0.001 0.000 0.957 307 R HN 0.267 nan 8.270 nan 0.000 0.484 308 A N 2.872 125.620 122.820 -0.121 0.000 2.546 308 A HA 0.158 4.478 4.320 0.000 0.000 0.243 308 A C -1.654 175.799 177.584 -0.218 0.000 1.063 308 A CA -1.062 50.857 52.037 -0.197 0.000 0.757 308 A CB 0.200 19.068 19.000 -0.219 0.000 0.991 308 A HN 0.222 nan 8.150 nan 0.000 0.503 309 P HA 0.059 nan 4.420 nan 0.000 0.245 309 P C -0.148 176.926 177.300 -0.376 0.000 1.212 309 P CA 0.764 63.594 63.100 -0.449 0.000 0.774 309 P CB 0.009 31.084 31.700 -1.042 0.000 0.999 310 M N -3.144 116.284 119.600 -0.287 0.000 2.603 310 M HA 0.650 5.130 4.480 0.000 0.000 0.275 310 M C -0.485 175.731 176.300 -0.141 0.000 1.226 310 M CA -0.469 54.731 55.300 -0.166 0.000 0.870 310 M CB 1.112 33.649 32.600 -0.104 0.000 1.716 310 M HN 0.039 nan 8.290 nan 0.000 0.482 311 G N 1.682 110.430 108.800 -0.086 0.000 2.699 311 G HA2 -0.008 3.952 3.960 0.000 0.000 0.686 311 G HA3 -0.008 3.952 3.960 0.000 0.000 0.686 311 G C -1.528 173.330 174.900 -0.070 0.000 1.301 311 G CA -0.414 44.640 45.100 -0.076 0.000 0.816 311 G HN 0.982 nan 8.290 nan 0.000 0.595 312 D N 0.049 120.417 120.400 -0.054 0.000 2.354 312 D HA 0.729 5.369 4.640 0.000 0.000 0.247 312 D C 0.756 177.020 176.300 -0.060 0.000 1.138 312 D CA 1.131 55.102 54.000 -0.048 0.000 0.958 312 D CB 1.544 42.325 40.800 -0.032 0.000 1.144 312 D HN 1.279 nan 8.370 nan 0.000 0.458 313 A N 0.596 123.384 122.820 -0.053 0.000 2.539 313 A HA 0.726 5.046 4.320 0.000 0.000 0.296 313 A C -1.161 176.397 177.584 -0.042 0.000 1.073 313 A CA -0.612 51.392 52.037 -0.056 0.000 0.700 313 A CB 1.103 20.063 19.000 -0.067 0.000 1.296 313 A HN 0.447 nan 8.150 nan 0.000 0.405 314 I N 1.357 121.902 120.570 -0.040 0.000 2.478 314 I HA 0.376 4.546 4.170 0.000 0.000 0.287 314 I C -0.885 175.210 176.117 -0.037 0.000 1.042 314 I CA -0.815 60.465 61.300 -0.033 0.000 1.067 314 I CB 2.201 40.184 38.000 -0.027 0.000 1.233 314 I HN 0.308 nan 8.210 nan 0.000 0.431 315 V N 5.939 125.831 119.914 -0.037 0.000 2.348 315 V HA 0.858 4.978 4.120 0.000 0.000 0.270 315 V C 0.291 176.361 176.094 -0.041 0.000 1.037 315 V CA -0.075 62.199 62.300 -0.042 0.000 0.872 315 V CB 0.611 32.408 31.823 -0.042 0.000 1.002 315 V HN 0.888 nan 8.190 nan 0.000 0.464 316 A N 3.707 126.501 122.820 -0.045 0.000 2.564 316 A HA 0.518 4.838 4.320 0.000 0.000 0.291 316 A C -1.024 176.533 177.584 -0.045 0.000 1.102 316 A CA -0.679 51.334 52.037 -0.039 0.000 0.660 316 A CB 1.104 20.087 19.000 -0.028 0.000 1.283 316 A HN 0.644 nan 8.150 nan 0.000 0.430 317 D N 0.554 120.931 120.400 -0.038 0.000 2.390 317 D HA 0.159 4.799 4.640 0.000 0.000 0.249 317 D C 0.657 176.942 176.300 -0.025 0.000 1.144 317 D CA -0.435 53.544 54.000 -0.036 0.000 0.880 317 D CB 0.538 41.322 40.800 -0.027 0.000 1.182 317 D HN 0.295 nan 8.370 nan 0.000 0.451 318 I N 4.140 124.696 120.570 -0.024 0.000 2.252 318 I HA -0.130 4.040 4.170 0.000 0.000 0.245 318 I C 2.449 178.567 176.117 0.002 0.000 1.102 318 I CA 0.977 62.272 61.300 -0.008 0.000 1.385 318 I CB -1.563 36.436 38.000 -0.001 0.000 1.064 318 I HN 0.595 nan 8.210 nan 0.000 0.414 319 G N 0.729 109.530 108.800 0.002 0.000 2.421 319 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 319 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 319 G C 1.850 176.753 174.900 0.006 0.000 1.171 319 G CA 1.039 46.144 45.100 0.007 0.000 0.775 319 G HN 0.483 nan 8.290 nan 0.000 0.543 320 A N 0.217 123.037 122.820 0.001 0.000 1.930 320 A HA 0.098 4.418 4.320 0.000 0.000 0.217 320 A C 2.435 180.020 177.584 0.001 0.000 1.175 320 A CA 1.777 53.815 52.037 0.002 0.000 0.627 320 A CB -0.289 18.710 19.000 -0.001 0.000 0.815 320 A HN 0.300 nan 8.150 nan 0.000 0.443 321 M N -0.499 119.100 119.600 -0.001 0.000 2.132 321 M HA -0.053 4.427 4.480 0.000 0.000 0.263 321 M C 2.534 178.838 176.300 0.005 0.000 1.065 321 M CA 1.540 56.840 55.300 -0.000 0.000 1.122 321 M CB -1.393 31.204 32.600 -0.005 0.000 1.365 321 M HN 0.480 nan 8.290 nan 0.000 0.411 322 A N -0.618 122.208 122.820 0.009 0.000 1.902 322 A HA -0.149 4.171 4.320 0.000 0.000 0.217 322 A C 2.479 180.072 177.584 0.015 0.000 1.181 322 A CA 2.239 54.286 52.037 0.016 0.000 0.623 322 A CB -0.913 18.102 19.000 0.024 0.000 0.818 322 A HN 0.486 nan 8.150 nan 0.000 0.443 323 S N -0.460 115.247 115.700 0.011 0.000 2.356 323 S HA -0.037 4.433 4.470 0.000 0.000 0.223 323 S C 2.203 176.809 174.600 0.009 0.000 1.032 323 S CA 1.601 59.807 58.200 0.009 0.000 1.005 323 S CB -0.500 62.704 63.200 0.008 0.000 0.867 323 S HN 0.809 nan 8.310 nan 0.000 0.449 324 A N 1.532 124.356 122.820 0.007 0.000 1.877 324 A HA 0.027 4.347 4.320 0.000 0.000 0.216 324 A C 2.254 179.842 177.584 0.008 0.000 1.186 324 A CA 1.551 53.592 52.037 0.006 0.000 0.620 324 A CB -0.934 18.068 19.000 0.004 0.000 0.822 324 A HN 0.570 nan 8.150 nan 0.000 0.443 325 L N -0.796 120.433 121.223 0.009 0.000 2.017 325 L HA -0.212 4.128 4.340 0.000 0.000 0.208 325 L C 3.122 180.000 176.870 0.015 0.000 1.073 325 L CA 1.111 55.958 54.840 0.011 0.000 0.745 325 L CB -0.583 41.483 42.059 0.012 0.000 0.894 325 L HN 0.453 nan 8.230 nan 0.000 0.432 326 A N -0.056 122.774 122.820 0.017 0.000 1.940 326 A HA -0.209 4.111 4.320 0.000 0.000 0.219 326 A C 1.987 179.581 177.584 0.016 0.000 1.176 326 A CA 1.881 53.930 52.037 0.019 0.000 0.631 326 A CB -0.499 18.513 19.000 0.020 0.000 0.814 326 A HN 0.482 nan 8.150 nan 0.000 0.446 327 N N -0.811 117.896 118.700 0.012 0.000 2.422 327 N HA 0.121 4.861 4.740 0.000 0.000 0.181 327 N C 1.326 176.842 175.510 0.010 0.000 1.080 327 N CA 0.633 53.689 53.050 0.010 0.000 0.893 327 N CB 0.164 38.656 38.487 0.008 0.000 0.973 327 N HN 0.488 nan 8.380 nan 0.000 0.456 328 L N 0.526 121.755 121.223 0.010 0.000 2.470 328 L HA 0.148 4.488 4.340 0.000 0.000 0.219 328 L C 0.782 177.658 176.870 0.011 0.000 1.071 328 L CA 0.000 54.846 54.840 0.009 0.000 0.850 328 L CB 0.094 42.158 42.059 0.007 0.000 1.040 328 L HN -0.116 nan 8.230 nan 0.000 0.475 329 V N -1.305 118.617 119.914 0.013 0.000 2.963 329 V HA 0.086 4.206 4.120 0.000 0.000 0.306 329 V C 0.310 176.413 176.094 0.016 0.000 1.077 329 V CA -0.875 61.434 62.300 0.015 0.000 1.124 329 V CB 0.334 32.168 31.823 0.018 0.000 0.987 329 V HN 0.165 nan 8.190 nan 0.000 0.487 330 E N 1.185 121.394 120.200 0.016 0.000 2.404 330 E HA 0.161 4.511 4.350 0.000 0.000 0.261 330 E C -0.170 176.442 176.600 0.019 0.000 1.074 330 E CA -0.148 56.262 56.400 0.016 0.000 0.917 330 E CB 0.598 30.307 29.700 0.015 0.000 0.965 330 E HN 0.890 nan 8.360 nan 0.000 0.433 331 E N 1.736 121.947 120.200 0.019 0.000 2.166 331 E HA 0.028 4.378 4.350 0.000 0.000 0.279 331 E C -0.749 175.863 176.600 0.021 0.000 1.095 331 E CA -0.074 56.339 56.400 0.021 0.000 0.888 331 E CB 0.602 30.313 29.700 0.019 0.000 1.041 331 E HN 0.294 nan 8.360 nan 0.000 0.414 332 S N 3.038 118.752 115.700 0.024 0.000 2.572 332 S HA 0.041 4.511 4.470 0.000 0.000 0.279 332 S C 1.028 175.640 174.600 0.022 0.000 1.341 332 S CA 0.140 58.354 58.200 0.024 0.000 1.043 332 S CB 0.545 63.762 63.200 0.028 0.000 0.887 332 S HN 0.638 nan 8.310 nan 0.000 0.516 333 S N 4.093 119.804 115.700 0.018 0.000 2.603 333 S HA 0.170 4.640 4.470 0.000 0.000 0.220 333 S C 0.683 175.293 174.600 0.017 0.000 0.967 333 S CA -0.295 57.915 58.200 0.016 0.000 0.920 333 S CB -0.152 63.055 63.200 0.013 0.000 0.773 333 S HN 0.713 nan 8.310 nan 0.000 0.529 334 R N 1.442 121.955 120.500 0.020 0.000 2.774 334 R HA 0.204 4.544 4.340 0.000 0.000 0.269 334 R C 0.371 176.684 176.300 0.021 0.000 1.068 334 R CA -0.206 55.907 56.100 0.021 0.000 1.180 334 R CB 0.250 30.566 30.300 0.027 0.000 1.077 334 R HN 0.427 nan 8.270 nan 0.000 0.513 335 Q N 1.381 121.192 119.800 0.018 0.000 2.352 335 Q HA 0.053 4.393 4.340 0.000 0.000 0.260 335 Q C -0.615 175.397 176.000 0.021 0.000 0.976 335 Q CA -0.413 55.399 55.803 0.016 0.000 0.881 335 Q CB 0.753 29.498 28.738 0.011 0.000 1.235 335 Q HN 0.296 nan 8.270 nan 0.000 0.419 336 L N 6.393 127.628 121.223 0.020 0.000 2.490 336 L HA 0.182 4.522 4.340 0.000 0.000 0.274 336 L C -2.164 174.717 176.870 0.020 0.000 1.201 336 L CA -0.782 54.074 54.840 0.028 0.000 0.869 336 L CB 0.295 42.367 42.059 0.022 0.000 1.123 336 L HN 0.616 nan 8.230 nan 0.000 0.484 337 P HA 0.038 nan 4.420 nan 0.000 0.266 337 P C -0.987 176.312 177.300 -0.001 0.000 1.193 337 P CA 0.060 63.164 63.100 0.007 0.000 0.770 337 P CB 0.292 31.989 31.700 -0.004 0.000 0.836 338 T N 2.042 116.590 114.554 -0.010 0.000 2.832 338 T HA 0.416 4.766 4.350 0.000 0.000 0.296 338 T C 0.387 175.078 174.700 -0.015 0.000 0.968 338 T CA -0.299 61.793 62.100 -0.014 0.000 1.107 338 T CB 0.474 69.335 68.868 -0.012 0.000 0.916 338 T HN 0.442 nan 8.240 nan 0.000 0.517 339 A N 2.791 125.603 122.820 -0.012 0.000 2.520 339 A HA 0.547 4.867 4.320 0.000 0.000 0.235 339 A C 0.864 178.449 177.584 0.002 0.000 1.065 339 A CA -0.455 51.583 52.037 0.002 0.000 0.764 339 A CB -0.204 18.795 19.000 -0.002 0.000 1.002 339 A HN 1.078 nan 8.150 nan 0.000 0.502 340 A N 3.457 126.286 122.820 0.013 0.000 2.462 340 A HA 0.539 4.859 4.320 0.000 0.000 0.243 340 A C -1.640 175.953 177.584 0.015 0.000 1.076 340 A CA -0.927 51.114 52.037 0.006 0.000 0.773 340 A CB -0.652 18.354 19.000 0.010 0.000 1.010 340 A HN 0.756 nan 8.150 nan 0.000 0.493 341 P HA 0.166 nan 4.420 nan 0.000 0.272 341 P C -0.504 176.807 177.300 0.018 0.000 1.223 341 P CA -0.431 62.676 63.100 0.010 0.000 0.784 341 P CB 0.239 31.943 31.700 0.006 0.000 0.923 342 E N 2.063 122.273 120.200 0.016 0.000 3.231 342 E HA -0.087 4.263 4.350 0.000 0.000 0.271 342 E C -1.709 174.903 176.600 0.019 0.000 0.877 342 E CA -0.724 55.687 56.400 0.018 0.000 0.973 342 E CB -1.136 28.573 29.700 0.014 0.000 0.922 342 E HN 0.376 nan 8.360 nan 0.000 0.532 343 P HA 0.106 nan 4.420 nan 0.000 0.272 343 P C -0.609 176.703 177.300 0.020 0.000 1.230 343 P CA -0.331 62.783 63.100 0.023 0.000 0.788 343 P CB 0.616 32.334 31.700 0.030 0.000 0.949 344 A N 1.817 124.646 122.820 0.016 0.000 2.425 344 A HA 0.139 4.459 4.320 0.000 0.000 0.242 344 A C 0.431 178.022 177.584 0.012 0.000 1.077 344 A CA -0.194 51.850 52.037 0.011 0.000 0.781 344 A CB -0.205 18.798 19.000 0.005 0.000 1.020 344 A HN 0.553 nan 8.150 nan 0.000 0.494 345 K N 2.226 122.631 120.400 0.008 0.000 2.285 345 K HA 0.413 4.733 4.320 0.000 0.000 0.286 345 K C -0.774 175.818 176.600 -0.013 0.000 1.072 345 K CA -0.414 55.877 56.287 0.007 0.000 0.913 345 K CB 0.484 32.991 32.500 0.011 0.000 1.067 345 K HN 0.453 nan 8.250 nan 0.000 0.479 346 V N 4.401 124.296 119.914 -0.032 0.000 2.637 346 V HA -0.048 4.072 4.120 0.000 0.000 0.296 346 V C 0.050 176.089 176.094 -0.090 0.000 1.046 346 V CA -0.258 61.980 62.300 -0.103 0.000 1.066 346 V CB 0.786 32.494 31.823 -0.191 0.000 0.968 346 V HN 0.804 nan 8.190 nan 0.000 0.483 347 D N 3.671 124.014 120.400 -0.095 0.000 2.458 347 D HA 0.260 4.900 4.640 0.000 0.000 0.243 347 D C 0.003 176.315 176.300 0.019 0.000 1.146 347 D CA 0.302 54.284 54.000 -0.029 0.000 0.877 347 D CB 0.778 41.571 40.800 -0.012 0.000 1.176 347 D HN 0.582 nan 8.370 nan 0.000 0.461 348 Q N 2.173 122.025 119.800 0.087 0.000 2.292 348 Q HA 0.245 4.585 4.340 0.000 0.000 0.270 348 Q C -1.181 174.883 176.000 0.107 0.000 1.024 348 Q CA -0.813 55.096 55.803 0.177 0.000 0.768 348 Q CB 1.198 30.028 28.738 0.154 0.000 1.250 348 Q HN 0.383 nan 8.270 nan 0.000 0.447 349 D N 2.258 122.722 120.400 0.107 0.000 2.440 349 D HA 0.309 4.949 4.640 0.000 0.000 0.269 349 D C 0.035 176.357 176.300 0.037 0.000 1.249 349 D CA -0.099 53.936 54.000 0.059 0.000 1.055 349 D CB 0.441 41.274 40.800 0.054 0.000 1.104 349 D HN 0.486 nan 8.370 nan 0.000 0.561 350 A N -1.070 121.765 122.820 0.024 0.000 2.302 350 A HA 0.467 4.787 4.320 0.000 0.000 0.219 350 A C 1.004 178.591 177.584 0.005 0.000 1.243 350 A CA 0.429 52.474 52.037 0.015 0.000 0.856 350 A CB -0.973 18.035 19.000 0.014 0.000 0.893 350 A HN 0.565 nan 8.150 nan 0.000 0.491 351 G N -0.581 108.216 108.800 -0.004 0.000 2.849 351 G HA2 0.435 4.395 3.960 0.000 0.000 0.174 351 G HA3 0.435 4.395 3.960 0.000 0.000 0.174 351 G C 0.012 174.886 174.900 -0.044 0.000 1.370 351 G CA -0.998 44.090 45.100 -0.019 0.000 1.040 351 G HN 0.424 nan 8.290 nan 0.000 0.582 352 R N -0.391 120.069 120.500 -0.067 0.000 2.756 352 R HA 0.130 4.470 4.340 0.000 0.000 0.264 352 R C -0.383 175.823 176.300 -0.157 0.000 1.026 352 R CA -0.377 55.669 56.100 -0.091 0.000 1.121 352 R CB 0.244 30.491 30.300 -0.087 0.000 0.999 352 R HN 0.087 nan 8.270 nan 0.000 0.449 353 L N 4.146 125.292 121.223 -0.130 0.000 2.319 353 L HA 0.137 4.477 4.340 0.000 0.000 0.280 353 L C 0.748 177.507 176.870 -0.184 0.000 1.099 353 L CA 0.177 54.941 54.840 -0.127 0.000 0.828 353 L CB 0.416 42.430 42.059 -0.076 0.000 1.150 353 L HN 0.477 nan 8.230 nan 0.000 0.442 354 H N 5.051 124.109 119.070 -0.020 0.000 2.815 354 H HA 0.036 4.592 4.556 0.000 0.000 0.350 354 H C -1.400 173.886 175.328 -0.070 0.000 1.080 354 H CA -1.241 54.796 56.048 -0.019 0.000 1.433 354 H CB 0.610 30.375 29.762 0.005 0.000 1.432 354 H HN 0.348 nan 8.280 nan 0.000 0.592 355 P HA -0.156 nan 4.420 nan 0.000 0.216 355 P C 1.074 178.264 177.300 -0.182 0.000 1.150 355 P CA 1.344 64.351 63.100 -0.154 0.000 0.843 355 P CB 0.385 32.082 31.700 -0.005 0.000 0.787 356 E N -1.137 119.112 120.200 0.083 0.000 2.085 356 E HA -0.145 4.205 4.350 0.000 0.000 0.194 356 E C 1.956 178.605 176.600 0.081 0.000 0.994 356 E CA 1.736 58.228 56.400 0.154 0.000 0.801 356 E CB -1.357 28.413 29.700 0.117 0.000 0.743 356 E HN 0.247 nan 8.360 nan 0.000 0.453 357 T N 0.255 114.840 114.554 0.053 0.000 2.746 357 T HA -0.134 4.216 4.350 0.000 0.000 0.267 357 T C 2.023 176.706 174.700 -0.028 0.000 1.039 357 T CA 1.270 63.391 62.100 0.034 0.000 1.142 357 T CB -0.335 68.569 68.868 0.060 0.000 0.866 357 T HN -0.022 nan 8.240 nan 0.000 0.444 358 V N 0.974 120.800 119.914 -0.146 0.000 2.295 358 V HA -0.143 3.977 4.120 0.000 0.000 0.246 358 V C 2.189 178.182 176.094 -0.170 0.000 1.049 358 V CA 1.695 63.860 62.300 -0.224 0.000 1.024 358 V CB -0.841 30.736 31.823 -0.410 0.000 0.648 358 V HN 0.371 nan 8.190 nan 0.000 0.447 359 F N 0.582 120.538 119.950 0.010 0.000 2.186 359 F HA -0.093 4.435 4.527 0.000 0.000 0.299 359 F C 2.274 178.058 175.800 -0.027 0.000 1.090 359 F CA 1.175 59.157 58.000 -0.030 0.000 1.307 359 F CB -0.967 38.002 39.000 -0.052 0.000 1.019 359 F HN 0.200 nan 8.300 nan 0.000 0.489 360 D N -0.370 120.125 120.400 0.159 0.000 2.117 360 D HA -0.134 4.506 4.640 0.000 0.000 0.197 360 D C 2.277 178.619 176.300 0.071 0.000 0.987 360 D CA 1.865 55.922 54.000 0.094 0.000 0.829 360 D CB -0.760 40.082 40.800 0.071 0.000 0.961 360 D HN 0.195 nan 8.370 nan 0.000 0.460 361 T N 0.979 115.568 114.554 0.058 0.000 2.777 361 T HA -0.033 4.317 4.350 0.000 0.000 0.266 361 T C 2.242 176.983 174.700 0.069 0.000 1.040 361 T CA 0.425 62.554 62.100 0.049 0.000 1.141 361 T CB -0.233 68.652 68.868 0.029 0.000 0.868 361 T HN 0.107 nan 8.240 nan 0.000 0.444 362 L N 1.255 122.534 121.223 0.094 0.000 2.012 362 L HA -0.153 4.187 4.340 0.000 0.000 0.210 362 L C 2.627 179.592 176.870 0.158 0.000 1.073 362 L CA 1.404 56.334 54.840 0.151 0.000 0.748 362 L CB -0.616 41.577 42.059 0.223 0.000 0.891 362 L HN 0.270 nan 8.230 nan 0.000 0.431 363 N N -0.118 118.649 118.700 0.111 0.000 2.166 363 N HA -0.208 4.532 4.740 0.000 0.000 0.186 363 N C 1.450 177.007 175.510 0.078 0.000 1.019 363 N CA 1.483 54.585 53.050 0.087 0.000 0.856 363 N CB 0.008 38.516 38.487 0.036 0.000 0.993 363 N HN 0.230 nan 8.380 nan 0.000 0.426 364 D N -0.500 119.939 120.400 0.065 0.000 2.123 364 D HA -0.072 4.568 4.640 0.000 0.000 0.200 364 D C 1.716 178.045 176.300 0.049 0.000 0.976 364 D CA 1.093 55.122 54.000 0.048 0.000 0.831 364 D CB -0.068 40.757 40.800 0.040 0.000 0.974 364 D HN 0.450 nan 8.370 nan 0.000 0.469 365 M N 0.140 119.775 119.600 0.058 0.000 2.534 365 M HA 0.187 4.667 4.480 0.000 0.000 0.263 365 M C 0.942 177.270 176.300 0.047 0.000 1.152 365 M CA -0.032 55.296 55.300 0.047 0.000 1.145 365 M CB 0.493 33.119 32.600 0.044 0.000 1.333 365 M HN -0.181 nan 8.290 nan 0.000 0.477 366 A N 2.017 124.881 122.820 0.073 0.000 2.386 366 A HA 0.435 4.755 4.320 0.000 0.000 0.248 366 A C -2.177 175.425 177.584 0.029 0.000 1.082 366 A CA -1.183 50.886 52.037 0.053 0.000 0.789 366 A CB -0.660 18.404 19.000 0.107 0.000 1.025 366 A HN 0.082 nan 8.150 nan 0.000 0.490 367 P HA 0.110 nan 4.420 nan 0.000 0.270 367 P C 0.149 177.445 177.300 -0.007 0.000 1.223 367 P CA -0.063 63.029 63.100 -0.014 0.000 0.785 367 P CB 0.430 32.109 31.700 -0.035 0.000 0.923 368 E N 0.907 121.105 120.200 -0.002 0.000 2.338 368 E HA -0.140 4.210 4.350 0.000 0.000 0.197 368 E C 0.744 177.338 176.600 -0.010 0.000 1.007 368 E CA 0.771 57.173 56.400 0.004 0.000 0.849 368 E CB -0.208 29.490 29.700 -0.003 0.000 0.774 368 E HN 0.508 nan 8.360 nan 0.000 0.506 369 N N 0.458 119.140 118.700 -0.030 0.000 2.279 369 N HA 0.108 4.848 4.740 0.000 0.000 0.226 369 N C -0.166 175.295 175.510 -0.081 0.000 1.126 369 N CA -0.105 52.919 53.050 -0.043 0.000 0.846 369 N CB 0.152 38.617 38.487 -0.037 0.000 1.050 369 N HN -0.077 nan 8.380 nan 0.000 0.502 370 A N 0.705 123.450 122.820 -0.124 0.000 2.448 370 A HA 0.452 4.772 4.320 0.000 0.000 0.239 370 A C 0.068 177.463 177.584 -0.315 0.000 1.080 370 A CA -0.114 51.759 52.037 -0.274 0.000 0.779 370 A CB 0.088 18.815 19.000 -0.455 0.000 1.026 370 A HN 0.398 nan 8.150 nan 0.000 0.499 371 I N 0.647 121.000 120.570 -0.362 0.000 2.436 371 I HA 0.349 4.519 4.170 0.000 0.000 0.289 371 I C -1.254 174.661 176.117 -0.337 0.000 1.010 371 I CA -0.280 60.888 61.300 -0.219 0.000 1.098 371 I CB 1.453 39.433 38.000 -0.035 0.000 1.266 371 I HN 0.600 nan 8.210 nan 0.000 0.434 372 Y N 5.959 126.275 120.300 0.027 0.000 2.420 372 Y HA 0.654 5.204 4.550 0.000 0.000 0.334 372 Y C -0.414 175.474 175.900 -0.019 0.000 1.094 372 Y CA -0.798 57.309 58.100 0.012 0.000 1.126 372 Y CB 1.487 39.962 38.460 0.025 0.000 1.217 372 Y HN 0.299 nan 8.280 nan 0.000 0.462 373 L N 2.504 123.805 121.223 0.130 0.000 2.354 373 L HA 0.479 4.819 4.340 0.000 0.000 0.269 373 L C -0.674 176.236 176.870 0.067 0.000 1.005 373 L CA -0.704 54.163 54.840 0.044 0.000 0.819 373 L CB 1.676 43.771 42.059 0.060 0.000 1.311 373 L HN 0.569 nan 8.230 nan 0.000 0.423 374 N N 1.219 119.940 118.700 0.035 0.000 2.442 374 N HA 0.303 5.043 4.740 0.000 0.000 0.274 374 N C -0.919 174.766 175.510 0.291 0.000 1.002 374 N CA -0.239 52.924 53.050 0.188 0.000 0.910 374 N CB 1.351 39.975 38.487 0.229 0.000 1.244 374 N HN 0.692 nan 8.380 nan 0.000 0.492 375 E N 1.939 122.287 120.200 0.247 0.000 4.017 375 E HA 0.148 4.498 4.350 0.000 0.000 0.205 375 E C -1.309 175.423 176.600 0.220 0.000 1.054 375 E CA -0.118 56.416 56.400 0.222 0.000 1.398 375 E CB 0.200 29.989 29.700 0.149 0.000 1.164 375 E HN 0.344 nan 8.360 nan 0.000 0.445 376 S N 0.289 116.144 115.700 0.260 0.000 2.426 376 S HA 0.108 4.578 4.470 0.000 0.000 0.236 376 S C 1.106 175.853 174.600 0.245 0.000 1.368 376 S CA -0.289 58.053 58.200 0.236 0.000 1.154 376 S CB 0.436 63.790 63.200 0.256 0.000 1.037 376 S HN 0.384 nan 8.310 nan 0.000 0.481 377 T N 0.515 115.206 114.554 0.229 0.000 2.995 377 T HA -0.080 4.270 4.350 0.000 0.000 0.269 377 T C 1.719 176.512 174.700 0.155 0.000 1.091 377 T CA 1.129 63.366 62.100 0.229 0.000 1.128 377 T CB -0.366 68.631 68.868 0.215 0.000 0.891 377 T HN 0.650 nan 8.240 nan 0.000 0.492 378 S N 1.375 117.157 115.700 0.136 0.000 2.593 378 S HA 0.064 4.534 4.470 0.000 0.000 0.217 378 S C 1.604 176.230 174.600 0.043 0.000 0.966 378 S CA 0.328 58.559 58.200 0.053 0.000 0.914 378 S CB -0.565 62.683 63.200 0.081 0.000 0.776 378 S HN 0.698 nan 8.310 nan 0.000 0.523 379 T N -3.464 111.166 114.554 0.127 0.000 3.091 379 T HA 0.226 4.576 4.350 0.000 0.000 0.277 379 T C 1.196 175.977 174.700 0.135 0.000 0.996 379 T CA 0.185 62.402 62.100 0.195 0.000 0.897 379 T CB -0.155 68.937 68.868 0.373 0.000 1.109 379 T HN 0.148 nan 8.240 nan 0.000 0.534 380 T N 2.265 116.863 114.554 0.074 0.000 2.720 380 T HA 0.005 4.355 4.350 0.000 0.000 0.268 380 T C 2.394 177.119 174.700 0.041 0.000 1.037 380 T CA 1.599 63.727 62.100 0.047 0.000 1.144 380 T CB -0.667 68.211 68.868 0.017 0.000 0.864 380 T HN 0.627 nan 8.240 nan 0.000 0.444 381 A N 1.396 124.216 122.820 0.001 0.000 1.902 381 A HA -0.150 4.170 4.320 0.000 0.000 0.217 381 A C 2.390 179.977 177.584 0.004 0.000 1.181 381 A CA 1.227 53.262 52.037 -0.004 0.000 0.623 381 A CB -0.511 18.456 19.000 -0.055 0.000 0.818 381 A HN 0.321 nan 8.150 nan 0.000 0.443 382 Q N -1.083 118.713 119.800 -0.006 0.000 2.119 382 Q HA -0.145 4.195 4.340 0.000 0.000 0.201 382 Q C 2.111 177.980 176.000 -0.218 0.000 0.972 382 Q CA 1.542 57.346 55.803 0.001 0.000 0.847 382 Q CB -0.477 28.351 28.738 0.150 0.000 0.903 382 Q HN 0.821 nan 8.270 nan 0.000 0.433 383 M N -1.080 118.160 119.600 -0.600 0.000 2.080 383 M HA -0.210 4.270 4.480 0.000 0.000 0.260 383 M C 1.572 177.521 176.300 -0.586 0.000 1.068 383 M CA 1.710 56.291 55.300 -1.198 0.000 1.109 383 M CB -0.223 31.651 32.600 -1.208 0.000 1.342 383 M HN 0.204 nan 8.290 nan 0.000 0.405 384 W N 0.621 121.685 121.300 -0.394 0.000 2.392 384 W HA -0.173 4.487 4.660 0.000 0.000 0.279 384 W C 2.286 178.703 176.519 -0.169 0.000 1.225 384 W CA 1.238 58.409 57.345 -0.290 0.000 1.233 384 W CB -0.086 29.227 29.460 -0.245 0.000 1.122 384 W HN 0.374 nan 8.180 nan 0.000 0.561 385 Q N -0.801 119.042 119.800 0.072 0.000 2.389 385 Q HA 0.008 4.348 4.340 0.000 0.000 0.204 385 Q C 1.781 177.788 176.000 0.013 0.000 0.944 385 Q CA 0.729 56.572 55.803 0.067 0.000 0.908 385 Q CB 0.038 28.801 28.738 0.043 0.000 1.002 385 Q HN 0.301 nan 8.270 nan 0.000 0.493 386 R N -0.546 119.914 120.500 -0.068 0.000 2.365 386 R HA 0.252 4.592 4.340 0.000 0.000 0.223 386 R C -0.174 176.070 176.300 -0.094 0.000 0.899 386 R CA -0.026 56.048 56.100 -0.043 0.000 1.059 386 R CB 0.778 31.098 30.300 0.032 0.000 1.086 386 R HN 0.054 nan 8.270 nan 0.000 0.522 387 L N 1.499 122.599 121.223 -0.205 0.000 2.287 387 L HA 0.303 4.643 4.340 0.000 0.000 0.287 387 L C -0.381 176.389 176.870 -0.166 0.000 1.022 387 L CA -0.551 54.133 54.840 -0.261 0.000 0.814 387 L CB 1.591 43.310 42.059 -0.566 0.000 1.217 387 L HN 0.088 nan 8.230 nan 0.000 0.420 388 N N 4.782 123.432 118.700 -0.084 0.000 2.401 388 N HA 0.319 5.059 4.740 0.000 0.000 0.255 388 N C -0.822 174.663 175.510 -0.042 0.000 1.110 388 N CA -0.395 52.620 53.050 -0.059 0.000 0.949 388 N CB 0.549 39.021 38.487 -0.024 0.000 1.110 388 N HN 0.572 nan 8.380 nan 0.000 0.490 389 M N 3.720 123.268 119.600 -0.086 0.000 2.065 389 M HA 0.234 4.714 4.480 0.000 0.000 0.332 389 M C 0.782 177.023 176.300 -0.099 0.000 0.988 389 M CA -0.434 54.830 55.300 -0.060 0.000 0.944 389 M CB 1.451 33.992 32.600 -0.098 0.000 1.357 389 M HN 0.483 nan 8.290 nan 0.000 0.388 390 R N 0.321 120.780 120.500 -0.069 0.000 2.153 390 R HA 0.114 4.454 4.340 0.000 0.000 0.218 390 R C 0.346 176.588 176.300 -0.096 0.000 1.072 390 R CA 0.749 56.796 56.100 -0.088 0.000 0.990 390 R CB 0.215 30.480 30.300 -0.059 0.000 0.889 390 R HN 0.582 nan 8.270 nan 0.000 0.452 391 N N 0.626 119.284 118.700 -0.069 0.000 2.404 391 N HA 0.308 5.048 4.740 0.000 0.000 0.297 391 N C -2.629 172.849 175.510 -0.052 0.000 1.163 391 N CA -1.715 51.300 53.050 -0.059 0.000 0.864 391 N CB 1.320 39.784 38.487 -0.038 0.000 1.247 391 N HN -0.224 nan 8.380 nan 0.000 0.510 392 P HA 0.129 nan 4.420 nan 0.000 0.273 392 P C 0.506 177.801 177.300 -0.009 0.000 1.250 392 P CA 0.260 63.346 63.100 -0.023 0.000 0.793 392 P CB 0.298 31.990 31.700 -0.012 0.000 1.011 393 G N 0.097 108.893 108.800 -0.006 0.000 2.249 393 G HA2 -0.254 3.706 3.960 0.000 0.000 0.273 393 G HA3 -0.254 3.706 3.960 0.000 0.000 0.273 393 G C 0.644 175.545 174.900 0.003 0.000 1.036 393 G CA 0.472 45.588 45.100 0.026 0.000 0.824 393 G HN 0.446 nan 8.290 nan 0.000 0.504 394 S N -1.527 114.139 115.700 -0.057 0.000 2.539 394 S HA 0.402 4.872 4.470 0.000 0.000 0.221 394 S C -0.070 174.562 174.600 0.054 0.000 0.987 394 S CA 0.247 58.452 58.200 0.008 0.000 0.929 394 S CB 0.500 63.714 63.200 0.024 0.000 0.832 394 S HN 0.779 nan 8.310 nan 0.000 0.492 395 Y N 0.658 120.763 120.300 -0.325 0.000 2.442 395 Y HA 0.540 5.090 4.550 0.000 0.000 0.330 395 Y C -2.164 173.415 175.900 -0.535 0.000 1.100 395 Y CA -1.229 56.705 58.100 -0.276 0.000 1.034 395 Y CB 1.012 39.275 38.460 -0.327 0.000 1.285 395 Y HN 0.049 nan 8.280 nan 0.000 0.440 396 Y N 6.342 126.398 120.300 -0.406 0.000 2.457 396 Y HA 0.595 5.145 4.550 0.000 0.000 0.343 396 Y C -1.435 174.327 175.900 -0.229 0.000 0.994 396 Y CA -1.188 56.828 58.100 -0.139 0.000 1.031 396 Y CB 2.184 40.742 38.460 0.164 0.000 1.246 396 Y HN 0.585 nan 8.280 nan 0.000 0.449 397 F N 2.750 122.668 119.950 -0.052 0.000 2.581 397 F HA 0.560 5.087 4.527 0.000 0.000 0.311 397 F C -0.372 175.327 175.800 -0.169 0.000 1.113 397 F CA -1.782 56.206 58.000 -0.021 0.000 0.935 397 F CB 0.921 39.985 39.000 0.106 0.000 1.232 397 F HN 0.746 nan 8.300 nan 0.000 0.445 398 C N 4.284 122.974 119.300 -1.015 0.000 2.409 398 C HA 0.427 4.887 4.460 0.000 0.000 0.399 398 C C 1.539 176.032 174.990 -0.828 0.000 1.505 398 C CA 0.030 58.378 59.018 -1.118 0.000 1.435 398 C CB -1.167 26.113 27.740 -0.767 0.000 2.462 398 C HN 1.028 nan 8.230 nan 0.000 0.619 399 A N 3.262 125.744 122.820 -0.563 0.000 2.066 399 A HA 0.324 4.644 4.320 0.000 0.000 0.218 399 A C 2.185 179.676 177.584 -0.155 0.000 1.157 399 A CA 1.366 53.267 52.037 -0.227 0.000 0.670 399 A CB -0.368 18.517 19.000 -0.192 0.000 0.804 399 A HN 1.587 nan 8.150 nan 0.000 0.453 400 A N -1.806 120.890 122.820 -0.206 0.000 2.387 400 A HA 0.461 4.781 4.320 0.000 0.000 0.234 400 A C 1.586 179.068 177.584 -0.171 0.000 1.253 400 A CA 0.924 52.884 52.037 -0.129 0.000 0.894 400 A CB -0.805 18.146 19.000 -0.081 0.000 0.963 400 A HN 1.733 nan 8.150 nan 0.000 0.508 401 G N -1.068 107.570 108.800 -0.270 0.000 2.155 401 G HA2 -0.107 3.853 3.960 0.000 0.000 0.257 401 G HA3 -0.107 3.853 3.960 0.000 0.000 0.257 401 G C 0.649 175.388 174.900 -0.268 0.000 0.983 401 G CA 0.245 45.179 45.100 -0.277 0.000 0.676 401 G HN 1.455 nan 8.290 nan 0.000 0.528 402 G N 0.168 108.807 108.800 -0.268 0.000 2.356 402 G HA2 0.587 4.547 3.960 0.000 0.000 0.300 402 G HA3 0.587 4.547 3.960 0.000 0.000 0.300 402 G C 0.509 175.257 174.900 -0.253 0.000 1.107 402 G CA -0.616 44.349 45.100 -0.225 0.000 0.960 402 G HN 0.590 nan 8.290 nan 0.000 0.418 403 L N 1.781 122.778 121.223 -0.377 0.000 2.467 403 L HA 0.429 4.769 4.340 0.000 0.000 0.270 403 L C 1.551 178.212 176.870 -0.348 0.000 1.205 403 L CA 0.793 55.362 54.840 -0.452 0.000 0.828 403 L CB 0.862 42.417 42.059 -0.839 0.000 1.101 403 L HN 0.820 nan 8.230 nan 0.000 0.479 404 G N 1.290 110.036 108.800 -0.091 0.000 2.179 404 G HA2 -0.318 3.642 3.960 0.000 0.000 0.220 404 G HA3 -0.318 3.642 3.960 0.000 0.000 0.220 404 G C 0.300 175.257 174.900 0.094 0.000 0.990 404 G CA 0.336 45.486 45.100 0.084 0.000 0.646 404 G HN 0.641 nan 8.290 nan 0.000 0.517 405 F N 1.795 121.702 119.950 -0.073 0.000 2.147 405 F HA 0.465 4.992 4.527 0.000 0.000 0.291 405 F C 2.529 178.310 175.800 -0.032 0.000 1.093 405 F CA 2.171 60.128 58.000 -0.071 0.000 1.263 405 F CB -0.475 38.447 39.000 -0.130 0.000 1.036 405 F HN 0.244 nan 8.300 nan 0.000 0.481 406 A N 0.801 123.574 122.820 -0.078 0.000 1.930 406 A HA -0.108 4.212 4.320 0.000 0.000 0.217 406 A C 2.299 179.806 177.584 -0.129 0.000 1.175 406 A CA 1.599 53.520 52.037 -0.194 0.000 0.627 406 A CB -1.241 17.802 19.000 0.072 0.000 0.815 406 A HN 0.586 nan 8.150 nan 0.000 0.443 407 L N 0.178 121.405 121.223 0.007 0.000 1.976 407 L HA -0.079 4.261 4.340 0.000 0.000 0.209 407 L C -0.428 176.492 176.870 0.084 0.000 1.071 407 L CA 1.882 56.801 54.840 0.132 0.000 0.746 407 L CB -0.731 41.378 42.059 0.083 0.000 0.890 407 L HN 0.254 nan 8.230 nan 0.000 0.432 408 P HA -0.141 nan 4.420 nan 0.000 0.216 408 P C 1.292 178.482 177.300 -0.183 0.000 1.153 408 P CA 1.936 64.994 63.100 -0.070 0.000 0.844 408 P CB -0.096 31.558 31.700 -0.077 0.000 0.787 409 A N 0.710 123.275 122.820 -0.424 0.000 1.972 409 A HA -0.066 4.254 4.320 0.000 0.000 0.219 409 A C 2.477 179.831 177.584 -0.383 0.000 1.169 409 A CA 2.063 53.746 52.037 -0.590 0.000 0.635 409 A CB -1.523 16.648 19.000 -1.381 0.000 0.810 409 A HN 0.230 nan 8.150 nan 0.000 0.446 410 A N -0.115 122.547 122.820 -0.263 0.000 1.972 410 A HA -0.047 4.273 4.320 0.000 0.000 0.219 410 A C 2.057 179.563 177.584 -0.131 0.000 1.169 410 A CA 1.427 53.355 52.037 -0.182 0.000 0.635 410 A CB -0.551 18.361 19.000 -0.147 0.000 0.810 410 A HN 0.526 nan 8.150 nan 0.000 0.446 411 I N -0.542 120.004 120.570 -0.040 0.000 2.202 411 I HA -0.152 4.018 4.170 0.000 0.000 0.242 411 I C 2.709 178.825 176.117 -0.002 0.000 1.091 411 I CA 1.121 62.433 61.300 0.020 0.000 1.368 411 I CB -0.647 37.416 38.000 0.105 0.000 1.058 411 I HN 0.372 nan 8.210 nan 0.000 0.410 412 G N 0.560 109.330 108.800 -0.050 0.000 2.402 412 G HA2 -0.160 3.800 3.960 0.000 0.000 0.216 412 G HA3 -0.160 3.800 3.960 0.000 0.000 0.216 412 G C 1.726 176.644 174.900 0.029 0.000 1.162 412 G CA 0.746 45.846 45.100 -0.000 0.000 0.777 412 G HN 0.221 nan 8.290 nan 0.000 0.539 413 V N 0.607 120.448 119.914 -0.122 0.000 2.295 413 V HA -0.235 3.885 4.120 0.000 0.000 0.246 413 V C 2.780 178.839 176.094 -0.059 0.000 1.049 413 V CA 2.298 64.508 62.300 -0.150 0.000 1.024 413 V CB -0.457 31.220 31.823 -0.244 0.000 0.648 413 V HN 0.433 nan 8.190 nan 0.000 0.447 414 Q N -0.223 119.546 119.800 -0.051 0.000 2.124 414 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 414 Q C 1.937 177.953 176.000 0.027 0.000 0.977 414 Q CA 1.745 57.528 55.803 -0.032 0.000 0.850 414 Q CB -0.505 28.197 28.738 -0.060 0.000 0.901 414 Q HN 0.552 nan 8.270 nan 0.000 0.429 415 L N -0.124 121.153 121.223 0.090 0.000 2.093 415 L HA 0.002 4.342 4.340 0.000 0.000 0.208 415 L C 2.028 179.046 176.870 0.248 0.000 1.085 415 L CA 2.077 57.018 54.840 0.168 0.000 0.755 415 L CB -0.894 41.288 42.059 0.205 0.000 0.904 415 L HN 0.244 nan 8.230 nan 0.000 0.435 416 A N -1.480 121.464 122.820 0.208 0.000 1.969 416 A HA -0.060 4.260 4.320 0.000 0.000 0.218 416 A C 1.197 178.761 177.584 -0.034 0.000 1.169 416 A CA 1.209 53.222 52.037 -0.040 0.000 0.635 416 A CB -0.228 18.582 19.000 -0.316 0.000 0.810 416 A HN 0.453 nan 8.150 nan 0.000 0.445 417 E N -0.638 119.554 120.200 -0.013 0.000 3.568 417 E HA 0.161 4.511 4.350 0.000 0.000 0.213 417 E C -2.177 174.416 176.600 -0.012 0.000 1.197 417 E CA -1.568 54.819 56.400 -0.020 0.000 1.126 417 E CB 0.853 30.537 29.700 -0.027 0.000 1.285 417 E HN 0.400 nan 8.360 nan 0.000 0.418 418 P HA -0.109 nan 4.420 nan 0.000 0.222 418 P C 0.678 177.970 177.300 -0.013 0.000 1.147 418 P CA 0.935 64.035 63.100 0.000 0.000 0.790 418 P CB 0.616 32.323 31.700 0.013 0.000 0.780 419 E N -0.415 119.776 120.200 -0.016 0.000 2.474 419 E HA 0.079 4.429 4.350 0.000 0.000 0.194 419 E C 0.677 177.258 176.600 -0.032 0.000 1.041 419 E CA 0.218 56.606 56.400 -0.021 0.000 0.874 419 E CB 0.112 29.802 29.700 -0.017 0.000 0.914 419 E HN 0.394 nan 8.360 nan 0.000 0.498 420 R N 1.330 121.806 120.500 -0.040 0.000 2.343 420 R HA 0.234 4.574 4.340 0.000 0.000 0.320 420 R C -0.227 176.026 176.300 -0.080 0.000 0.956 420 R CA -0.738 55.328 56.100 -0.057 0.000 0.836 420 R CB 1.231 31.501 30.300 -0.051 0.000 1.151 420 R HN -0.138 nan 8.270 nan 0.000 0.450 421 Q N 2.529 122.270 119.800 -0.098 0.000 2.271 421 Q HA 0.102 4.442 4.340 0.000 0.000 0.273 421 Q C -0.848 175.045 176.000 -0.178 0.000 1.051 421 Q CA 0.143 55.873 55.803 -0.122 0.000 0.901 421 Q CB 0.917 29.587 28.738 -0.113 0.000 1.174 421 Q HN 0.376 nan 8.270 nan 0.000 0.385 422 V N 6.790 126.600 119.914 -0.174 0.000 2.465 422 V HA 0.389 4.509 4.120 0.000 0.000 0.279 422 V C 0.132 176.082 176.094 -0.239 0.000 1.045 422 V CA -0.379 61.798 62.300 -0.205 0.000 0.938 422 V CB 1.004 32.720 31.823 -0.179 0.000 0.986 422 V HN 0.728 nan 8.190 nan 0.000 0.467 423 I N 4.295 124.724 120.570 -0.235 0.000 2.476 423 I HA 0.570 4.740 4.170 0.000 0.000 0.281 423 I C 0.128 176.228 176.117 -0.029 0.000 1.040 423 I CA -0.495 60.719 61.300 -0.143 0.000 1.094 423 I CB 1.676 39.626 38.000 -0.083 0.000 1.219 423 I HN 0.635 nan 8.210 nan 0.000 0.450 424 A N 6.658 129.438 122.820 -0.068 0.000 2.252 424 A HA 0.676 4.996 4.320 0.000 0.000 0.309 424 A C -0.343 177.316 177.584 0.125 0.000 1.285 424 A CA -0.412 51.645 52.037 0.034 0.000 0.900 424 A CB 0.696 19.703 19.000 0.012 0.000 1.157 424 A HN 0.460 nan 8.150 nan 0.000 0.536 425 V N 5.118 125.138 119.914 0.177 0.000 2.318 425 V HA 0.363 4.483 4.120 0.000 0.000 0.271 425 V C -0.212 175.991 176.094 0.181 0.000 1.030 425 V CA 0.105 62.523 62.300 0.195 0.000 0.844 425 V CB 0.172 32.176 31.823 0.301 0.000 1.015 425 V HN 0.718 nan 8.190 nan 0.000 0.460 426 I N 3.653 124.303 120.570 0.133 0.000 2.498 426 I HA 0.563 4.733 4.170 0.000 0.000 0.290 426 I C 0.950 177.105 176.117 0.064 0.000 1.032 426 I CA -0.528 60.844 61.300 0.119 0.000 1.073 426 I CB 2.043 40.116 38.000 0.121 0.000 1.251 426 I HN 0.647 nan 8.210 nan 0.000 0.426 427 G N 2.929 111.791 108.800 0.104 0.000 2.594 427 G HA2 0.039 3.999 3.960 0.000 0.000 0.243 427 G HA3 0.039 3.999 3.960 0.000 0.000 0.243 427 G C 0.837 175.747 174.900 0.017 0.000 1.229 427 G CA -0.226 44.924 45.100 0.082 0.000 0.843 427 G HN 0.829 nan 8.290 nan 0.000 0.578 428 D N 0.459 120.841 120.400 -0.029 0.000 2.144 428 D HA -0.113 4.527 4.640 0.000 0.000 0.199 428 D C 2.168 178.612 176.300 0.240 0.000 0.984 428 D CA 1.407 55.375 54.000 -0.054 0.000 0.834 428 D CB -0.879 39.978 40.800 0.095 0.000 0.955 428 D HN 0.468 nan 8.370 nan 0.000 0.465 429 G N 0.403 109.374 108.800 0.285 0.000 2.414 429 G HA2 -0.235 3.725 3.960 0.000 0.000 0.215 429 G HA3 -0.235 3.725 3.960 0.000 0.000 0.215 429 G C 1.874 177.105 174.900 0.552 0.000 1.188 429 G CA 1.093 46.477 45.100 0.473 0.000 0.783 429 G HN 0.356 nan 8.290 nan 0.000 0.537 430 S N 1.126 117.103 115.700 0.461 0.000 2.399 430 S HA -0.017 4.453 4.470 0.000 0.000 0.231 430 S C 2.722 177.570 174.600 0.413 0.000 1.022 430 S CA 1.089 59.556 58.200 0.445 0.000 0.983 430 S CB -0.337 63.002 63.200 0.231 0.000 0.803 430 S HN 0.587 nan 8.310 nan 0.000 0.480 431 A N 2.571 125.557 122.820 0.277 0.000 2.024 431 A HA -0.148 4.172 4.320 0.000 0.000 0.220 431 A C 1.860 179.606 177.584 0.270 0.000 1.164 431 A CA 1.346 53.517 52.037 0.223 0.000 0.643 431 A CB -0.493 18.581 19.000 0.122 0.000 0.806 431 A HN 0.499 nan 8.150 nan 0.000 0.451 432 N N -1.306 117.563 118.700 0.282 0.000 2.331 432 N HA -0.114 4.627 4.740 0.000 0.000 0.180 432 N C 1.397 176.962 175.510 0.091 0.000 1.019 432 N CA 1.248 54.386 53.050 0.147 0.000 0.881 432 N CB -0.438 38.071 38.487 0.037 0.000 0.972 432 N HN 0.642 nan 8.380 nan 0.000 0.435 433 Y N 1.392 121.767 120.300 0.124 0.000 2.165 433 Y HA -0.059 4.491 4.550 0.000 0.000 0.286 433 Y C 1.543 177.483 175.900 0.067 0.000 1.155 433 Y CA 1.006 59.161 58.100 0.091 0.000 1.164 433 Y CB 0.001 38.510 38.460 0.081 0.000 0.978 433 Y HN -0.078 nan 8.280 nan 0.000 0.513 434 S N -0.683 115.141 115.700 0.207 0.000 2.668 434 S HA 0.137 4.607 4.470 0.000 0.000 0.244 434 S C 1.156 175.791 174.600 0.057 0.000 1.140 434 S CA -0.306 57.959 58.200 0.108 0.000 1.134 434 S CB -0.096 63.156 63.200 0.086 0.000 0.954 434 S HN 0.222 nan 8.310 nan 0.000 0.490 435 I N 2.808 123.425 120.570 0.078 0.000 2.264 435 I HA -0.176 3.994 4.170 0.000 0.000 0.248 435 I C 2.321 178.421 176.117 -0.029 0.000 1.111 435 I CA 1.684 63.030 61.300 0.076 0.000 1.382 435 I CB -0.246 37.848 38.000 0.157 0.000 1.060 435 I HN 0.461 nan 8.210 nan 0.000 0.418 436 S N 0.478 116.111 115.700 -0.112 0.000 2.507 436 S HA 0.002 4.472 4.470 0.000 0.000 0.235 436 S C 2.171 176.529 174.600 -0.403 0.000 0.988 436 S CA 0.562 58.466 58.200 -0.493 0.000 0.944 436 S CB -0.842 62.178 63.200 -0.299 0.000 0.762 436 S HN 0.471 nan 8.310 nan 0.000 0.526 437 A N 2.125 124.846 122.820 -0.165 0.000 2.024 437 A HA 0.089 4.409 4.320 0.000 0.000 0.220 437 A C 2.162 179.706 177.584 -0.066 0.000 1.164 437 A CA 1.234 53.232 52.037 -0.064 0.000 0.643 437 A CB -0.856 18.131 19.000 -0.021 0.000 0.806 437 A HN 0.579 nan 8.150 nan 0.000 0.451 438 L N -2.556 118.564 121.223 -0.173 0.000 2.089 438 L HA -0.261 4.079 4.340 0.000 0.000 0.213 438 L C 2.453 179.329 176.870 0.011 0.000 1.079 438 L CA 1.870 56.621 54.840 -0.147 0.000 0.758 438 L CB -0.487 41.509 42.059 -0.105 0.000 0.891 438 L HN 0.784 nan 8.230 nan 0.000 0.433 439 W N 0.823 121.978 121.300 -0.242 0.000 2.342 439 W HA -0.231 4.429 4.660 0.000 0.000 0.297 439 W C 2.517 179.041 176.519 0.007 0.000 1.213 439 W CA 2.153 59.442 57.345 -0.093 0.000 1.251 439 W CB -0.299 29.038 29.460 -0.204 0.000 1.136 439 W HN -0.018 nan 8.180 nan 0.000 0.526 440 T N 0.423 115.082 114.554 0.175 0.000 2.746 440 T HA -0.192 4.158 4.350 0.000 0.000 0.267 440 T C 1.965 176.716 174.700 0.085 0.000 1.039 440 T CA 1.898 64.092 62.100 0.157 0.000 1.142 440 T CB -0.903 68.128 68.868 0.271 0.000 0.866 440 T HN 0.253 nan 8.240 nan 0.000 0.444 441 A N 1.512 124.386 122.820 0.091 0.000 1.908 441 A HA 0.103 4.424 4.320 0.000 0.000 0.218 441 A C 2.641 180.233 177.584 0.014 0.000 1.181 441 A CA 1.923 54.029 52.037 0.115 0.000 0.627 441 A CB -1.133 18.011 19.000 0.240 0.000 0.818 441 A HN 0.512 nan 8.150 nan 0.000 0.445 442 A N -1.313 121.459 122.820 -0.081 0.000 1.858 442 A HA -0.174 4.146 4.320 0.000 0.000 0.216 442 A C 2.145 179.544 177.584 -0.308 0.000 1.190 442 A CA 1.660 53.603 52.037 -0.157 0.000 0.617 442 A CB -0.510 18.396 19.000 -0.156 0.000 0.827 442 A HN 0.474 nan 8.150 nan 0.000 0.443 443 Q N -1.325 118.112 119.800 -0.605 0.000 2.124 443 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 443 Q C 1.314 176.914 176.000 -0.667 0.000 0.977 443 Q CA 1.532 56.840 55.803 -0.825 0.000 0.850 443 Q CB -0.328 27.524 28.738 -1.477 0.000 0.901 443 Q HN 0.877 nan 8.270 nan 0.000 0.429 444 Y N -0.160 120.008 120.300 -0.219 0.000 2.457 444 Y HA 0.116 4.666 4.550 0.000 0.000 0.263 444 Y C 0.426 176.280 175.900 -0.077 0.000 1.164 444 Y CA -0.298 57.731 58.100 -0.118 0.000 1.274 444 Y CB 0.053 38.461 38.460 -0.086 0.000 1.097 444 Y HN 0.126 nan 8.280 nan 0.000 0.523 445 N N 1.229 119.932 118.700 0.004 0.000 2.714 445 N HA -0.224 4.516 4.740 0.000 0.000 0.253 445 N C -1.116 174.419 175.510 0.042 0.000 1.024 445 N CA 0.294 53.349 53.050 0.009 0.000 0.726 445 N CB -1.326 37.157 38.487 -0.007 0.000 0.908 445 N HN 0.376 nan 8.380 nan 0.000 0.542 446 I N 1.220 121.828 120.570 0.064 0.000 2.291 446 I HA 0.223 4.393 4.170 0.000 0.000 0.292 446 I C -1.509 174.630 176.117 0.036 0.000 1.064 446 I CA -1.784 59.550 61.300 0.057 0.000 1.269 446 I CB 1.218 39.265 38.000 0.078 0.000 1.418 446 I HN 0.080 nan 8.210 nan 0.000 0.485 447 P HA 0.096 nan 4.420 nan 0.000 0.220 447 P C -0.125 177.130 177.300 -0.076 0.000 1.793 447 P CA -0.293 62.800 63.100 -0.013 0.000 0.917 447 P CB -0.407 31.284 31.700 -0.014 0.000 1.755 448 T N 1.461 115.936 114.554 -0.131 0.000 2.940 448 T HA 0.168 4.518 4.350 0.000 0.000 0.309 448 T C 0.803 175.233 174.700 -0.450 0.000 1.056 448 T CA 0.530 62.410 62.100 -0.367 0.000 1.137 448 T CB 0.528 69.050 68.868 -0.576 0.000 0.976 448 T HN 0.099 nan 8.240 nan 0.000 0.547 449 I N 2.921 123.221 120.570 -0.451 0.000 2.336 449 I HA 0.375 4.545 4.170 0.000 0.000 0.292 449 I C -0.723 175.133 176.117 -0.435 0.000 0.991 449 I CA -0.624 60.497 61.300 -0.299 0.000 1.227 449 I CB 0.908 38.833 38.000 -0.125 0.000 1.366 449 I HN 0.502 nan 8.210 nan 0.000 0.466 450 F N 5.674 125.639 119.950 0.026 0.000 2.402 450 F HA 0.437 4.964 4.527 0.000 0.000 0.355 450 F C -0.063 175.750 175.800 0.022 0.000 1.123 450 F CA -0.905 57.111 58.000 0.027 0.000 1.021 450 F CB 1.437 40.457 39.000 0.033 0.000 1.160 450 F HN 0.003 nan 8.300 nan 0.000 0.451 451 V N 5.595 125.604 119.914 0.158 0.000 2.311 451 V HA 0.317 4.437 4.120 0.000 0.000 0.275 451 V C -0.053 176.068 176.094 0.045 0.000 1.022 451 V CA -0.609 61.743 62.300 0.087 0.000 0.830 451 V CB 0.895 32.760 31.823 0.070 0.000 1.012 451 V HN 0.432 nan 8.190 nan 0.000 0.452 452 I N 5.979 126.535 120.570 -0.025 0.000 2.325 452 I HA 0.338 4.508 4.170 0.000 0.000 0.291 452 I C 0.259 176.289 176.117 -0.146 0.000 1.019 452 I CA -0.489 60.711 61.300 -0.165 0.000 1.302 452 I CB 1.405 39.147 38.000 -0.429 0.000 1.401 452 I HN 0.450 nan 8.210 nan 0.000 0.485 453 M N 5.671 125.206 119.600 -0.108 0.000 2.497 453 M HA 0.134 4.614 4.480 0.000 0.000 0.336 453 M C 0.183 176.445 176.300 -0.063 0.000 1.378 453 M CA -0.131 55.130 55.300 -0.065 0.000 1.375 453 M CB -0.846 31.744 32.600 -0.016 0.000 1.337 453 M HN 0.352 nan 8.290 nan 0.000 0.461 454 N N 3.587 122.254 118.700 -0.055 0.000 2.521 454 N HA 0.101 4.841 4.740 0.000 0.000 0.236 454 N C 0.252 175.783 175.510 0.035 0.000 1.067 454 N CA -0.044 53.007 53.050 0.002 0.000 0.939 454 N CB 0.372 38.897 38.487 0.063 0.000 1.201 454 N HN 0.429 nan 8.380 nan 0.000 0.511 455 N N 2.326 121.055 118.700 0.049 0.000 2.205 455 N HA 0.148 4.888 4.740 0.000 0.000 0.201 455 N C 1.047 176.595 175.510 0.062 0.000 1.128 455 N CA 0.295 53.377 53.050 0.054 0.000 0.867 455 N CB 0.010 38.537 38.487 0.066 0.000 0.996 455 N HN 0.458 nan 8.380 nan 0.000 0.503 456 G N -1.288 107.554 108.800 0.071 0.000 2.189 456 G HA2 -0.263 3.697 3.960 0.000 0.000 0.267 456 G HA3 -0.263 3.697 3.960 0.000 0.000 0.267 456 G C 0.046 174.955 174.900 0.016 0.000 0.975 456 G CA 0.878 46.009 45.100 0.051 0.000 0.644 456 G HN 0.804 nan 8.290 nan 0.000 0.537 457 T N -1.698 112.875 114.554 0.032 0.000 2.843 457 T HA 0.533 4.883 4.350 0.000 0.000 0.302 457 T C -1.120 173.641 174.700 0.102 0.000 1.232 457 T CA -0.573 61.540 62.100 0.022 0.000 1.009 457 T CB 0.882 69.803 68.868 0.088 0.000 1.254 457 T HN 0.303 nan 8.240 nan 0.000 0.504 458 Y N 2.554 122.943 120.300 0.148 0.000 2.570 458 Y HA 0.310 4.860 4.550 0.000 0.000 0.336 458 Y C 1.676 177.683 175.900 0.178 0.000 1.284 458 Y CA -0.496 57.705 58.100 0.168 0.000 1.761 458 Y CB -0.316 38.248 38.460 0.173 0.000 1.724 458 Y HN 0.821 nan 8.280 nan 0.000 0.455 459 G N 1.037 110.022 108.800 0.307 0.000 2.422 459 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 459 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 459 G C 1.799 176.879 174.900 0.300 0.000 1.146 459 G CA 0.854 46.111 45.100 0.262 0.000 0.769 459 G HN 0.619 nan 8.290 nan 0.000 0.547 460 A N 0.431 123.417 122.820 0.276 0.000 1.972 460 A HA 0.136 4.456 4.320 0.000 0.000 0.219 460 A C 2.395 180.212 177.584 0.388 0.000 1.169 460 A CA 1.112 53.317 52.037 0.279 0.000 0.635 460 A CB -0.276 18.843 19.000 0.198 0.000 0.810 460 A HN 0.371 nan 8.150 nan 0.000 0.446 461 L N -1.576 119.855 121.223 0.347 0.000 2.131 461 L HA -0.081 4.259 4.340 0.000 0.000 0.206 461 L C 2.805 179.888 176.870 0.355 0.000 1.087 461 L CA 0.975 56.034 54.840 0.364 0.000 0.767 461 L CB -0.514 41.717 42.059 0.287 0.000 0.917 461 L HN 0.332 nan 8.230 nan 0.000 0.441 462 R N -0.631 120.060 120.500 0.318 0.000 2.081 462 R HA -0.229 4.111 4.340 0.000 0.000 0.235 462 R C 2.145 178.602 176.300 0.263 0.000 1.131 462 R CA 2.049 58.297 56.100 0.246 0.000 0.960 462 R CB -0.422 30.011 30.300 0.222 0.000 0.856 462 R HN 0.390 nan 8.270 nan 0.000 0.436 463 W N 0.553 121.952 121.300 0.165 0.000 2.355 463 W HA -0.257 4.403 4.660 0.000 0.000 0.309 463 W C 1.922 178.556 176.519 0.191 0.000 1.206 463 W CA 1.378 58.816 57.345 0.155 0.000 1.284 463 W CB -0.507 29.046 29.460 0.155 0.000 1.145 463 W HN 0.010 nan 8.180 nan 0.000 0.502 464 F N 1.397 121.544 119.950 0.327 0.000 2.102 464 F HA -0.154 4.373 4.527 0.000 0.000 0.298 464 F C 2.264 178.026 175.800 -0.063 0.000 1.105 464 F CA 2.419 60.483 58.000 0.107 0.000 1.239 464 F CB -1.223 37.932 39.000 0.258 0.000 0.991 464 F HN -0.059 nan 8.300 nan 0.000 0.474 465 A N 0.282 123.058 122.820 -0.073 0.000 1.940 465 A HA -0.105 4.215 4.320 0.000 0.000 0.219 465 A C 2.545 179.996 177.584 -0.221 0.000 1.176 465 A CA 1.836 53.760 52.037 -0.187 0.000 0.631 465 A CB -1.815 17.163 19.000 -0.036 0.000 0.814 465 A HN 0.523 nan 8.150 nan 0.000 0.446 466 G N -0.648 108.032 108.800 -0.199 0.000 2.418 466 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 466 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 466 G C 1.508 176.204 174.900 -0.341 0.000 1.158 466 G CA 1.199 46.154 45.100 -0.242 0.000 0.771 466 G HN 0.331 nan 8.290 nan 0.000 0.545 467 V N 0.980 120.583 119.914 -0.517 0.000 2.392 467 V HA -0.113 4.007 4.120 0.000 0.000 0.249 467 V C 2.791 178.691 176.094 -0.324 0.000 1.059 467 V CA 1.401 63.415 62.300 -0.477 0.000 1.051 467 V CB -0.327 31.137 31.823 -0.599 0.000 0.658 467 V HN 0.351 nan 8.190 nan 0.000 0.455 468 L N -0.661 120.332 121.223 -0.383 0.000 2.478 468 L HA 0.019 4.359 4.340 0.000 0.000 0.223 468 L C 1.136 177.879 176.870 -0.211 0.000 1.140 468 L CA 0.559 55.208 54.840 -0.317 0.000 0.842 468 L CB -0.610 41.180 42.059 -0.449 0.000 0.953 468 L HN 0.427 nan 8.230 nan 0.000 0.452 469 E N -0.785 119.299 120.200 -0.193 0.000 2.586 469 E HA -0.227 4.123 4.350 0.000 0.000 0.259 469 E C 0.314 176.845 176.600 -0.116 0.000 1.107 469 E CA 0.209 56.530 56.400 -0.133 0.000 0.754 469 E CB -1.218 28.420 29.700 -0.102 0.000 1.335 469 E HN 0.516 nan 8.360 nan 0.000 0.411 470 A N 1.332 124.067 122.820 -0.141 0.000 2.354 470 A HA 0.330 4.650 4.320 0.000 0.000 0.281 470 A C 0.352 177.895 177.584 -0.069 0.000 1.174 470 A CA -0.065 51.906 52.037 -0.109 0.000 0.828 470 A CB 0.479 19.395 19.000 -0.140 0.000 1.099 470 A HN 0.222 nan 8.150 nan 0.000 0.516 471 E N 1.524 121.697 120.200 -0.046 0.000 2.232 471 E HA 0.293 4.643 4.350 0.000 0.000 0.264 471 E C -0.372 176.221 176.600 -0.013 0.000 0.973 471 E CA -1.059 55.325 56.400 -0.026 0.000 0.849 471 E CB 0.678 30.364 29.700 -0.024 0.000 1.198 471 E HN 0.708 nan 8.360 nan 0.000 0.407 472 N N -0.260 118.438 118.700 -0.002 0.000 2.735 472 N HA -0.154 4.586 4.740 0.000 0.000 0.248 472 N C -0.954 174.565 175.510 0.016 0.000 1.083 472 N CA 0.418 53.473 53.050 0.007 0.000 0.703 472 N CB -1.317 37.172 38.487 0.004 0.000 1.005 472 N HN 0.122 nan 8.380 nan 0.000 0.550 473 V N 1.871 121.798 119.914 0.022 0.000 2.432 473 V HA 0.271 4.391 4.120 0.000 0.000 0.271 473 V C -0.854 175.274 176.094 0.057 0.000 1.046 473 V CA -0.904 61.420 62.300 0.040 0.000 0.945 473 V CB 1.016 32.868 31.823 0.048 0.000 0.992 473 V HN 0.137 nan 8.190 nan 0.000 0.471 474 P HA 0.419 nan 4.420 nan 0.000 0.278 474 P C 0.642 178.003 177.300 0.101 0.000 1.258 474 P CA 0.263 63.404 63.100 0.068 0.000 0.811 474 P CB 1.191 32.925 31.700 0.056 0.000 1.063 475 G N 0.052 108.914 108.800 0.103 0.000 2.143 475 G HA2 -0.220 3.740 3.960 0.000 0.000 0.248 475 G HA3 -0.220 3.740 3.960 0.000 0.000 0.248 475 G C 0.499 175.537 174.900 0.229 0.000 0.991 475 G CA 0.292 45.479 45.100 0.146 0.000 0.689 475 G HN 0.478 nan 8.290 nan 0.000 0.522 476 L N -0.556 120.778 121.223 0.185 0.000 2.554 476 L HA 0.290 4.630 4.340 0.000 0.000 0.225 476 L C 0.267 177.199 176.870 0.104 0.000 1.104 476 L CA 0.088 55.084 54.840 0.260 0.000 0.866 476 L CB 0.032 42.224 42.059 0.222 0.000 1.047 476 L HN 0.085 nan 8.230 nan 0.000 0.468 477 D N 0.437 120.837 120.400 -0.002 0.000 2.252 477 D HA 0.336 4.976 4.640 0.000 0.000 0.245 477 D C 0.053 176.247 176.300 -0.176 0.000 1.009 477 D CA -0.086 53.868 54.000 -0.077 0.000 0.870 477 D CB 3.022 43.815 40.800 -0.013 0.000 1.251 477 D HN -0.193 nan 8.370 nan 0.000 0.460 478 V N -0.816 118.976 119.914 -0.203 0.000 2.562 478 V HA 0.353 4.473 4.120 0.000 0.000 0.274 478 V C -2.517 173.531 176.094 -0.077 0.000 1.075 478 V CA -1.403 60.783 62.300 -0.190 0.000 1.204 478 V CB 0.369 32.001 31.823 -0.318 0.000 1.478 478 V HN 0.305 nan 8.190 nan 0.000 0.622 479 P HA 0.398 nan 4.420 nan 0.000 0.272 479 P C 0.874 178.149 177.300 -0.042 0.000 1.240 479 P CA 1.263 64.348 63.100 -0.026 0.000 0.791 479 P CB 1.267 32.955 31.700 -0.020 0.000 0.978 480 G N 0.515 109.291 108.800 -0.040 0.000 2.142 480 G HA2 -0.174 3.786 3.960 0.000 0.000 0.225 480 G HA3 -0.174 3.786 3.960 0.000 0.000 0.225 480 G C -0.179 174.650 174.900 -0.119 0.000 1.015 480 G CA -0.246 44.816 45.100 -0.064 0.000 0.716 480 G HN 0.485 nan 8.290 nan 0.000 0.508 481 I N 0.704 121.173 120.570 -0.168 0.000 2.362 481 I HA 0.340 4.510 4.170 0.000 0.000 0.289 481 I C -0.662 175.179 176.117 -0.461 0.000 0.994 481 I CA -0.832 60.234 61.300 -0.389 0.000 1.158 481 I CB 1.789 39.436 38.000 -0.589 0.000 1.315 481 I HN 0.032 nan 8.210 nan 0.000 0.451 482 D N 6.242 126.400 120.400 -0.404 0.000 2.467 482 D HA 0.219 4.859 4.640 0.000 0.000 0.220 482 D C 0.465 176.593 176.300 -0.287 0.000 1.103 482 D CA -0.325 53.532 54.000 -0.238 0.000 0.886 482 D CB 0.566 41.292 40.800 -0.123 0.000 1.025 482 D HN 0.292 nan 8.370 nan 0.000 0.514 483 F N 1.930 121.887 119.950 0.012 0.000 2.325 483 F HA 0.073 4.600 4.527 0.000 0.000 0.299 483 F C 2.372 178.183 175.800 0.018 0.000 1.090 483 F CA 0.436 58.447 58.000 0.019 0.000 1.392 483 F CB 0.021 39.039 39.000 0.031 0.000 1.053 483 F HN 0.252 nan 8.300 nan 0.000 0.521 484 R N 0.071 120.660 120.500 0.148 0.000 2.092 484 R HA -0.084 4.256 4.340 0.000 0.000 0.231 484 R C 2.434 178.759 176.300 0.042 0.000 1.119 484 R CA 1.122 57.278 56.100 0.094 0.000 0.970 484 R CB -0.679 29.664 30.300 0.072 0.000 0.864 484 R HN 0.280 nan 8.270 nan 0.000 0.440 485 A N 1.239 124.058 122.820 -0.001 0.000 1.930 485 A HA -0.091 4.229 4.320 0.000 0.000 0.217 485 A C 2.165 179.718 177.584 -0.051 0.000 1.175 485 A CA 0.976 52.991 52.037 -0.036 0.000 0.627 485 A CB -0.425 18.537 19.000 -0.064 0.000 0.815 485 A HN 0.150 nan 8.150 nan 0.000 0.443 486 L N -0.728 120.466 121.223 -0.048 0.000 2.046 486 L HA -0.206 4.134 4.340 0.000 0.000 0.208 486 L C 3.118 180.006 176.870 0.031 0.000 1.077 486 L CA 1.113 55.933 54.840 -0.033 0.000 0.747 486 L CB -0.626 41.442 42.059 0.014 0.000 0.896 486 L HN 0.434 nan 8.230 nan 0.000 0.432 487 A N 0.218 123.085 122.820 0.079 0.000 1.908 487 A HA -0.275 4.045 4.320 0.000 0.000 0.218 487 A C 2.408 180.036 177.584 0.073 0.000 1.181 487 A CA 2.110 54.204 52.037 0.096 0.000 0.627 487 A CB -0.512 18.546 19.000 0.097 0.000 0.818 487 A HN 0.356 nan 8.150 nan 0.000 0.445 488 K N -0.584 119.836 120.400 0.033 0.000 2.063 488 K HA -0.127 4.193 4.320 0.000 0.000 0.208 488 K C 2.025 178.614 176.600 -0.017 0.000 1.048 488 K CA 1.479 57.775 56.287 0.015 0.000 0.928 488 K CB -0.613 31.886 32.500 -0.002 0.000 0.713 488 K HN 0.382 nan 8.250 nan 0.000 0.442 489 G N -0.157 108.585 108.800 -0.096 0.000 2.469 489 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 489 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 489 G C 0.751 175.499 174.900 -0.253 0.000 1.136 489 G CA 0.957 45.908 45.100 -0.248 0.000 0.759 489 G HN 0.369 nan 8.290 nan 0.000 0.562 490 Y N 0.135 120.494 120.300 0.100 0.000 2.524 490 Y HA 0.406 4.956 4.550 0.000 0.000 0.266 490 Y C 1.855 177.840 175.900 0.141 0.000 1.180 490 Y CA -0.738 57.476 58.100 0.190 0.000 1.244 490 Y CB 0.295 38.865 38.460 0.184 0.000 1.125 490 Y HN 0.294 nan 8.280 nan 0.000 0.524 491 G N 0.246 109.154 108.800 0.180 0.000 2.137 491 G HA2 -0.233 3.727 3.960 0.000 0.000 0.237 491 G HA3 -0.233 3.727 3.960 0.000 0.000 0.237 491 G C -0.356 174.588 174.900 0.074 0.000 1.002 491 G CA 0.214 45.374 45.100 0.101 0.000 0.702 491 G HN 0.115 nan 8.290 nan 0.000 0.515 492 V N 0.978 120.949 119.914 0.096 0.000 2.427 492 V HA 0.436 4.556 4.120 0.000 0.000 0.286 492 V C 0.916 177.061 176.094 0.085 0.000 1.034 492 V CA -0.533 61.823 62.300 0.095 0.000 0.893 492 V CB 1.802 33.692 31.823 0.111 0.000 0.982 492 V HN 0.536 nan 8.190 nan 0.000 0.452 493 Q N 2.822 122.670 119.800 0.079 0.000 2.304 493 Q HA 0.369 4.709 4.340 0.000 0.000 0.301 493 Q C -0.227 175.824 176.000 0.085 0.000 1.063 493 Q CA 0.172 56.016 55.803 0.069 0.000 0.947 493 Q CB 0.701 29.475 28.738 0.060 0.000 1.201 493 Q HN 0.940 nan 8.270 nan 0.000 0.389 494 A N 5.218 128.082 122.820 0.072 0.000 2.356 494 A HA 0.720 5.040 4.320 0.000 0.000 0.310 494 A C -1.369 176.256 177.584 0.067 0.000 1.075 494 A CA -0.711 51.374 52.037 0.080 0.000 0.746 494 A CB 1.042 20.088 19.000 0.075 0.000 1.221 494 A HN 0.739 nan 8.150 nan 0.000 0.443 495 L N 1.063 122.329 121.223 0.072 0.000 2.333 495 L HA 0.650 4.990 4.340 0.000 0.000 0.263 495 L C -0.044 176.862 176.870 0.061 0.000 1.014 495 L CA -0.747 54.128 54.840 0.058 0.000 0.820 495 L CB 2.455 44.545 42.059 0.052 0.000 1.352 495 L HN 0.719 nan 8.230 nan 0.000 0.421 496 K N 0.575 121.005 120.400 0.049 0.000 2.340 496 K HA 0.871 5.192 4.320 0.000 0.000 0.244 496 K C -1.357 175.263 176.600 0.034 0.000 0.973 496 K CA -0.743 55.572 56.287 0.047 0.000 0.828 496 K CB 2.384 34.912 32.500 0.046 0.000 1.226 496 K HN 0.680 nan 8.250 nan 0.000 0.437 497 A N 2.200 125.037 122.820 0.028 0.000 2.499 497 A HA 0.288 4.608 4.320 0.000 0.000 0.280 497 A C -0.927 176.663 177.584 0.009 0.000 1.135 497 A CA -0.564 51.482 52.037 0.016 0.000 0.744 497 A CB 0.610 19.616 19.000 0.010 0.000 1.213 497 A HN 0.738 nan 8.150 nan 0.000 0.434 498 D N 0.929 121.334 120.400 0.009 0.000 2.367 498 D HA 0.089 4.729 4.640 0.000 0.000 0.207 498 D C 0.208 176.505 176.300 -0.006 0.000 1.034 498 D CA 1.033 55.035 54.000 0.004 0.000 0.861 498 D CB 0.466 41.271 40.800 0.008 0.000 0.943 498 D HN 0.780 nan 8.370 nan 0.000 0.515 499 N N -1.200 117.498 118.700 -0.004 0.000 3.106 499 N HA 0.067 4.807 4.740 0.000 0.000 0.253 499 N C 0.162 175.672 175.510 -0.001 0.000 1.506 499 N CA -0.723 52.323 53.050 -0.005 0.000 0.876 499 N CB 0.989 39.476 38.487 0.000 0.000 1.452 499 N HN -0.205 nan 8.380 nan 0.000 0.542 500 L N 0.253 121.478 121.223 0.004 0.000 2.056 500 L HA 0.031 4.371 4.340 0.000 0.000 0.207 500 L C 2.142 179.019 176.870 0.011 0.000 1.078 500 L CA 2.258 57.103 54.840 0.008 0.000 0.749 500 L CB -1.032 41.037 42.059 0.017 0.000 0.901 500 L HN 0.889 nan 8.230 nan 0.000 0.433 501 E N -1.038 119.169 120.200 0.012 0.000 2.085 501 E HA -0.318 4.032 4.350 0.000 0.000 0.194 501 E C 1.998 178.605 176.600 0.012 0.000 0.994 501 E CA 1.804 58.211 56.400 0.012 0.000 0.801 501 E CB -0.658 29.049 29.700 0.012 0.000 0.743 501 E HN 0.692 nan 8.360 nan 0.000 0.453 502 Q N 0.026 119.833 119.800 0.011 0.000 2.172 502 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 502 Q C 2.270 178.278 176.000 0.013 0.000 0.964 502 Q CA 1.025 56.836 55.803 0.013 0.000 0.855 502 Q CB -0.090 28.656 28.738 0.013 0.000 0.918 502 Q HN 0.307 nan 8.270 nan 0.000 0.444 503 L N 1.262 122.491 121.223 0.010 0.000 2.017 503 L HA -0.196 4.144 4.340 0.000 0.000 0.208 503 L C 1.812 178.690 176.870 0.015 0.000 1.073 503 L CA 1.881 56.726 54.840 0.009 0.000 0.745 503 L CB -0.152 41.907 42.059 0.000 0.000 0.894 503 L HN -0.035 nan 8.230 nan 0.000 0.432 504 K N -0.713 119.696 120.400 0.015 0.000 2.057 504 K HA -0.055 4.265 4.320 0.000 0.000 0.206 504 K C 2.030 178.641 176.600 0.018 0.000 1.050 504 K CA 1.100 57.398 56.287 0.018 0.000 0.935 504 K CB -0.701 31.809 32.500 0.017 0.000 0.715 504 K HN 0.542 nan 8.250 nan 0.000 0.439 505 G N 1.318 110.128 108.800 0.017 0.000 2.446 505 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 505 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 505 G C 1.622 176.533 174.900 0.019 0.000 1.168 505 G CA 1.402 46.512 45.100 0.017 0.000 0.771 505 G HN 0.432 nan 8.290 nan 0.000 0.551 506 S N 0.471 116.183 115.700 0.021 0.000 2.383 506 S HA 0.048 4.518 4.470 0.000 0.000 0.227 506 S C 2.376 176.992 174.600 0.026 0.000 1.026 506 S CA 1.049 59.264 58.200 0.026 0.000 0.981 506 S CB -0.392 62.825 63.200 0.029 0.000 0.818 506 S HN 0.274 nan 8.310 nan 0.000 0.472 507 L N 1.226 122.464 121.223 0.025 0.000 2.056 507 L HA -0.115 4.225 4.340 0.000 0.000 0.207 507 L C 3.183 180.066 176.870 0.021 0.000 1.078 507 L CA 1.775 56.630 54.840 0.025 0.000 0.749 507 L CB -0.610 41.467 42.059 0.030 0.000 0.901 507 L HN 0.475 nan 8.230 nan 0.000 0.433 508 Q N 0.218 120.030 119.800 0.019 0.000 2.061 508 Q HA -0.299 4.041 4.340 0.000 0.000 0.204 508 Q C 2.088 178.097 176.000 0.014 0.000 0.984 508 Q CA 2.079 57.891 55.803 0.015 0.000 0.846 508 Q CB 0.045 28.791 28.738 0.015 0.000 0.902 508 Q HN 0.330 nan 8.270 nan 0.000 0.421 509 E N 0.138 120.348 120.200 0.017 0.000 2.051 509 E HA -0.163 4.187 4.350 0.000 0.000 0.192 509 E C 1.700 178.310 176.600 0.017 0.000 0.991 509 E CA 1.643 58.054 56.400 0.017 0.000 0.799 509 E CB -0.382 29.330 29.700 0.021 0.000 0.748 509 E HN 0.466 nan 8.360 nan 0.000 0.449 510 A N 0.303 123.135 122.820 0.020 0.000 1.902 510 A HA -0.118 4.202 4.320 0.000 0.000 0.217 510 A C 2.299 179.887 177.584 0.006 0.000 1.181 510 A CA 1.391 53.439 52.037 0.019 0.000 0.623 510 A CB -0.744 18.271 19.000 0.024 0.000 0.818 510 A HN 0.341 nan 8.150 nan 0.000 0.443 511 L N 0.484 121.709 121.223 0.003 0.000 2.191 511 L HA -0.133 4.207 4.340 0.000 0.000 0.212 511 L C 2.458 179.325 176.870 -0.006 0.000 1.103 511 L CA 1.434 56.270 54.840 -0.006 0.000 0.769 511 L CB -0.229 41.829 42.059 -0.003 0.000 0.908 511 L HN 0.585 nan 8.230 nan 0.000 0.438 512 S N -1.229 114.472 115.700 0.000 0.000 2.556 512 S HA 0.328 4.798 4.470 0.000 0.000 0.216 512 S C 0.871 175.472 174.600 0.002 0.000 0.970 512 S CA -0.159 58.041 58.200 0.001 0.000 0.912 512 S CB -0.025 63.177 63.200 0.003 0.000 0.790 512 S HN 0.188 nan 8.310 nan 0.000 0.504 513 A N 1.902 124.725 122.820 0.004 0.000 2.366 513 A HA 0.545 4.865 4.320 0.000 0.000 0.249 513 A C 0.974 178.561 177.584 0.004 0.000 1.084 513 A CA -0.528 51.514 52.037 0.008 0.000 0.794 513 A CB 0.402 19.411 19.000 0.016 0.000 1.034 513 A HN 0.186 nan 8.150 nan 0.000 0.491 514 K N 0.493 120.897 120.400 0.006 0.000 2.374 514 K HA 0.194 4.514 4.320 0.000 0.000 0.196 514 K C 0.727 177.331 176.600 0.006 0.000 1.023 514 K CA 0.849 57.139 56.287 0.004 0.000 1.103 514 K CB 0.160 32.662 32.500 0.002 0.000 0.848 514 K HN 0.757 nan 8.250 nan 0.000 0.528 515 G N 1.627 110.434 108.800 0.013 0.000 2.949 515 G HA2 0.451 4.411 3.960 0.000 0.000 0.285 515 G HA3 0.451 4.411 3.960 0.000 0.000 0.285 515 G C -2.994 171.928 174.900 0.037 0.000 1.395 515 G CA -1.311 43.801 45.100 0.021 0.000 0.901 515 G HN -0.227 nan 8.290 nan 0.000 0.519 516 P HA 0.387 nan 4.420 nan 0.000 0.272 516 P C -0.775 176.612 177.300 0.144 0.000 1.223 516 P CA -0.139 63.034 63.100 0.123 0.000 0.784 516 P CB 1.610 33.450 31.700 0.233 0.000 0.923 517 V N 2.937 122.957 119.914 0.177 0.000 2.808 517 V HA 0.367 4.487 4.120 0.000 0.000 0.308 517 V C -0.108 176.148 176.094 0.270 0.000 1.099 517 V CA -0.775 61.626 62.300 0.168 0.000 0.920 517 V CB 2.174 34.050 31.823 0.090 0.000 1.014 517 V HN 0.463 nan 8.190 nan 0.000 0.425 518 L N 5.289 126.655 121.223 0.239 0.000 2.322 518 L HA 0.712 5.052 4.340 0.000 0.000 0.281 518 L C -1.081 175.879 176.870 0.150 0.000 1.014 518 L CA -0.330 54.654 54.840 0.241 0.000 0.815 518 L CB 1.246 43.415 42.059 0.184 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.660 125.307 120.570 0.129 0.000 2.382 519 I HA 0.309 4.479 4.170 0.000 0.000 0.286 519 I C -0.309 175.846 176.117 0.064 0.000 1.002 519 I CA -0.436 60.914 61.300 0.084 0.000 1.135 519 I CB 1.764 39.802 38.000 0.062 0.000 1.288 519 I HN 0.617 nan 8.210 nan 0.000 0.448 520 E N 6.528 126.770 120.200 0.070 0.000 2.152 520 E HA 0.363 4.713 4.350 0.000 0.000 0.285 520 E C -1.289 175.331 176.600 0.033 0.000 1.043 520 E CA -0.502 55.931 56.400 0.055 0.000 0.839 520 E CB 1.167 30.953 29.700 0.143 0.000 1.069 520 E HN 0.368 nan 8.360 nan 0.000 0.399 521 V N 3.946 123.858 119.914 -0.004 0.000 2.394 521 V HA 0.165 4.285 4.120 0.000 0.000 0.282 521 V C -0.039 176.049 176.094 -0.011 0.000 1.031 521 V CA -0.767 61.525 62.300 -0.012 0.000 0.881 521 V CB 1.681 33.482 31.823 -0.037 0.000 0.982 521 V HN 0.634 nan 8.190 nan 0.000 0.451 522 S N 3.834 119.532 115.700 -0.003 0.000 2.405 522 S HA 0.374 4.844 4.470 0.000 0.000 0.291 522 S C 0.493 175.075 174.600 -0.030 0.000 1.137 522 S CA -0.481 57.717 58.200 -0.003 0.000 1.061 522 S CB 0.294 63.496 63.200 0.003 0.000 1.001 522 S HN 0.972 nan 8.310 nan 0.000 0.507 523 T N -0.722 113.814 114.554 -0.030 0.000 2.945 523 T HA 0.599 4.949 4.350 0.000 0.000 0.286 523 T C 0.304 174.976 174.700 -0.047 0.000 1.025 523 T CA -1.056 61.013 62.100 -0.052 0.000 1.039 523 T CB 1.030 69.872 68.868 -0.043 0.000 1.068 523 T HN 0.434 nan 8.240 nan 0.000 0.497 524 V N 1.254 121.116 119.914 -0.088 0.000 2.599 524 V HA 0.510 4.630 4.120 0.000 0.000 0.300 524 V C 0.028 176.127 176.094 0.008 0.000 1.034 524 V CA -0.339 61.914 62.300 -0.079 0.000 1.115 524 V CB -0.525 31.189 31.823 -0.183 0.000 0.934 524 V HN 1.068 nan 8.190 nan 0.000 0.485 525 S N 0.000 115.715 115.700 0.025 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.235 58.200 0.059 0.000 1.107 525 S CB 0.000 63.231 63.200 0.052 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517