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 3f6e_1_X DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVSP 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 0.000 177.667 177.584 0.138 0.000 1.274 2 A CA 0.000 52.112 52.037 0.125 0.000 0.836 2 A CB 0.000 19.097 19.000 0.161 0.000 0.831 3 S N 0.270 116.067 115.700 0.161 0.000 2.632 3 S HA 0.498 4.968 4.470 0.000 0.000 0.267 3 S C 1.148 175.899 174.600 0.251 0.000 1.276 3 S CA 0.038 58.352 58.200 0.191 0.000 0.998 3 S CB 1.123 64.443 63.200 0.199 0.000 0.953 3 S HN 1.435 nan 8.310 nan 0.000 0.547 4 V N 1.596 121.666 119.914 0.260 0.000 2.392 4 V HA -0.199 3.921 4.120 0.000 0.000 0.249 4 V C 2.576 178.969 176.094 0.498 0.000 1.059 4 V CA 2.284 64.760 62.300 0.292 0.000 1.051 4 V CB -1.398 30.526 31.823 0.168 0.000 0.658 4 V HN 1.036 nan 8.190 nan 0.000 0.455 5 H N 0.827 120.198 119.070 0.502 0.000 2.267 5 H HA -0.171 4.385 4.556 0.000 0.000 0.297 5 H C 2.325 177.872 175.328 0.364 0.000 1.080 5 H CA 2.316 58.671 56.048 0.513 0.000 1.278 5 H CB -0.550 29.443 29.762 0.384 0.000 1.365 5 H HN 0.416 nan 8.280 nan 0.000 0.489 6 G N -0.722 108.373 108.800 0.491 0.000 2.418 6 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 6 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 6 G C 1.791 176.848 174.900 0.262 0.000 1.158 6 G CA 1.322 46.621 45.100 0.331 0.000 0.771 6 G HN 0.460 nan 8.290 nan 0.000 0.545 7 T N 0.658 115.391 114.554 0.298 0.000 2.867 7 T HA -0.057 4.293 4.350 0.000 0.000 0.268 7 T C 2.601 177.502 174.700 0.334 0.000 1.057 7 T CA 1.635 63.949 62.100 0.356 0.000 1.136 7 T CB -0.255 68.818 68.868 0.341 0.000 0.874 7 T HN 0.281 nan 8.240 nan 0.000 0.466 8 T N 0.783 115.498 114.554 0.270 0.000 2.809 8 T HA -0.003 4.347 4.350 0.000 0.000 0.260 8 T C 1.581 176.283 174.700 0.004 0.000 1.039 8 T CA 0.834 63.047 62.100 0.189 0.000 1.141 8 T CB -0.413 68.630 68.868 0.291 0.000 0.869 8 T HN 0.366 nan 8.240 nan 0.000 0.437 9 Y N 1.505 121.758 120.300 -0.079 0.000 2.274 9 Y HA -0.077 4.473 4.550 0.000 0.000 0.290 9 Y C 2.577 178.408 175.900 -0.116 0.000 1.145 9 Y CA 1.066 58.996 58.100 -0.284 0.000 1.203 9 Y CB -0.281 37.839 38.460 -0.567 0.000 0.984 9 Y HN 0.187 nan 8.280 nan 0.000 0.533 10 E N 0.395 120.616 120.200 0.036 0.000 2.051 10 E HA -0.196 4.154 4.350 0.000 0.000 0.192 10 E C 2.081 178.526 176.600 -0.258 0.000 0.991 10 E CA 1.042 57.324 56.400 -0.197 0.000 0.799 10 E CB -0.596 28.840 29.700 -0.440 0.000 0.748 10 E HN 0.331 nan 8.360 nan 0.000 0.449 11 L N 0.248 121.459 121.223 -0.021 0.000 2.013 11 L HA -0.155 4.185 4.340 0.000 0.000 0.212 11 L C 2.176 179.118 176.870 0.119 0.000 1.073 11 L CA 1.746 56.706 54.840 0.201 0.000 0.753 11 L CB -0.564 41.712 42.059 0.361 0.000 0.890 11 L HN 0.284 nan 8.230 nan 0.000 0.432 12 L N -0.459 120.828 121.223 0.106 0.000 2.017 12 L HA -0.220 4.120 4.340 0.000 0.000 0.208 12 L C 2.867 179.816 176.870 0.133 0.000 1.073 12 L CA 1.931 56.845 54.840 0.123 0.000 0.745 12 L CB -0.637 41.498 42.059 0.127 0.000 0.894 12 L HN 0.417 nan 8.230 nan 0.000 0.432 13 R N -0.422 120.184 120.500 0.176 0.000 2.115 13 R HA -0.085 4.255 4.340 0.000 0.000 0.230 13 R C 2.161 178.456 176.300 -0.008 0.000 1.111 13 R CA 0.698 56.822 56.100 0.039 0.000 0.976 13 R CB -0.421 29.923 30.300 0.074 0.000 0.870 13 R HN 0.190 nan 8.270 nan 0.000 0.445 14 R N 0.661 121.156 120.500 -0.009 0.000 2.189 14 R HA 0.012 4.352 4.340 0.000 0.000 0.223 14 R C 1.356 177.696 176.300 0.067 0.000 1.092 14 R CA 0.809 56.916 56.100 0.012 0.000 0.989 14 R CB -0.010 30.287 30.300 -0.006 0.000 0.876 14 R HN 0.420 nan 8.270 nan 0.000 0.457 15 Q N -0.639 119.203 119.800 0.070 0.000 2.280 15 Q HA 0.155 4.495 4.340 0.000 0.000 0.201 15 Q C 0.655 176.684 176.000 0.050 0.000 0.890 15 Q CA 0.442 56.289 55.803 0.074 0.000 0.947 15 Q CB 1.176 29.950 28.738 0.059 0.000 1.081 15 Q HN 0.527 nan 8.270 nan 0.000 0.502 16 G N 1.074 109.887 108.800 0.022 0.000 2.159 16 G HA2 -0.223 3.737 3.960 0.000 0.000 0.227 16 G HA3 -0.223 3.737 3.960 0.000 0.000 0.227 16 G C 0.113 174.999 174.900 -0.022 0.000 0.986 16 G CA -0.316 44.786 45.100 0.003 0.000 0.651 16 G HN 0.306 nan 8.290 nan 0.000 0.523 17 I N 1.520 122.066 120.570 -0.040 0.000 2.359 17 I HA 0.487 4.657 4.170 0.000 0.000 0.294 17 I C 0.497 176.394 176.117 -0.367 0.000 0.987 17 I CA -0.175 61.094 61.300 -0.051 0.000 1.225 17 I CB 1.590 39.632 38.000 0.069 0.000 1.366 17 I HN 0.233 nan 8.210 nan 0.000 0.466 18 D N 1.302 121.433 120.400 -0.449 0.000 2.497 18 D HA 0.090 4.731 4.640 0.000 0.000 0.256 18 D C -0.091 175.863 176.300 -0.576 0.000 1.273 18 D CA -0.017 53.398 54.000 -0.977 0.000 0.812 18 D CB 0.570 41.022 40.800 -0.581 0.000 1.190 18 D HN 0.263 nan 8.370 nan 0.000 0.524 19 T N 0.231 114.664 114.554 -0.202 0.000 2.886 19 T HA 0.584 4.934 4.350 0.000 0.000 0.292 19 T C -0.911 173.793 174.700 0.007 0.000 1.012 19 T CA -0.621 61.378 62.100 -0.168 0.000 0.982 19 T CB 2.575 71.168 68.868 -0.458 0.000 1.018 19 T HN -0.135 nan 8.240 nan 0.000 0.451 20 V N 3.822 123.768 119.914 0.053 0.000 2.378 20 V HA 0.469 4.589 4.120 0.000 0.000 0.288 20 V C -0.918 174.964 176.094 -0.353 0.000 1.016 20 V CA -0.842 61.596 62.300 0.229 0.000 0.840 20 V CB 0.619 32.809 31.823 0.611 0.000 0.994 20 V HN 0.797 nan 8.190 nan 0.000 0.431 21 F N 3.364 123.286 119.950 -0.046 0.000 2.411 21 F HA 0.742 5.269 4.527 0.000 0.000 0.355 21 F C 0.955 176.631 175.800 -0.207 0.000 1.117 21 F CA -0.028 57.844 58.000 -0.214 0.000 1.139 21 F CB 1.541 40.471 39.000 -0.117 0.000 1.120 21 F HN 0.582 nan 8.300 nan 0.000 0.493 22 G N 2.549 111.195 108.800 -0.256 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 -2.130 172.839 174.900 0.115 0.000 1.423 22 G CA -0.879 44.191 45.100 -0.050 0.000 0.843 22 G HN 0.507 nan 8.290 nan 0.000 0.486 23 N N 1.208 120.035 118.700 0.212 0.000 2.504 23 N HA 0.433 5.173 4.740 0.000 0.000 0.280 23 N C -2.808 172.833 175.510 0.217 0.000 1.052 23 N CA -1.282 51.893 53.050 0.208 0.000 0.887 23 N CB 3.314 41.879 38.487 0.131 0.000 1.323 23 N HN 0.285 nan 8.380 nan 0.000 0.509 24 P HA 0.405 nan 4.420 nan 0.000 0.276 24 P C -0.261 177.057 177.300 0.029 0.000 1.252 24 P CA -0.035 63.149 63.100 0.141 0.000 0.802 24 P CB 1.709 33.430 31.700 0.035 0.000 1.035 25 G N -0.886 107.922 108.800 0.014 0.000 2.721 25 G HA2 0.389 4.349 3.960 0.000 0.000 0.296 25 G HA3 0.389 4.349 3.960 0.000 0.000 0.296 25 G C 0.591 175.449 174.900 -0.069 0.000 1.383 25 G CA -0.090 44.867 45.100 -0.239 0.000 0.788 25 G HN 0.402 nan 8.290 nan 0.000 0.500 26 S N -0.505 115.125 115.700 -0.116 0.000 2.436 26 S HA -0.061 4.409 4.470 0.000 0.000 0.228 26 S C 1.533 176.136 174.600 0.004 0.000 1.014 26 S CA 1.046 59.222 58.200 -0.041 0.000 0.950 26 S CB -0.111 63.058 63.200 -0.053 0.000 0.784 26 S HN 0.396 nan 8.310 nan 0.000 0.504 27 N N 1.898 120.737 118.700 0.232 0.000 2.459 27 N HA 0.023 4.763 4.740 0.000 0.000 0.181 27 N C 0.939 176.624 175.510 0.291 0.000 1.046 27 N CA 0.965 54.171 53.050 0.260 0.000 0.904 27 N CB -0.212 38.470 38.487 0.324 0.000 0.964 27 N HN 0.571 nan 8.380 nan 0.000 0.444 28 E N -0.246 120.106 120.200 0.254 0.000 2.452 28 E HA 0.195 4.545 4.350 0.000 0.000 0.197 28 E C 1.762 178.472 176.600 0.184 0.000 1.022 28 E CA -0.106 56.457 56.400 0.271 0.000 0.890 28 E CB -0.004 29.866 29.700 0.285 0.000 0.918 28 E HN 0.238 nan 8.360 nan 0.000 0.496 29 L N 0.910 122.178 121.223 0.076 0.000 2.079 29 L HA -0.118 4.222 4.340 0.000 0.000 0.210 29 L C -0.678 176.220 176.870 0.046 0.000 1.081 29 L CA 1.276 56.125 54.840 0.015 0.000 0.752 29 L CB -1.319 40.711 42.059 -0.049 0.000 0.896 29 L HN 0.134 nan 8.230 nan 0.000 0.433 30 P HA -0.172 nan 4.420 nan 0.000 0.223 30 P C 1.373 178.749 177.300 0.126 0.000 1.151 30 P CA 1.083 64.303 63.100 0.199 0.000 0.787 30 P CB 0.026 31.980 31.700 0.425 0.000 0.788 31 F N 0.182 119.936 119.950 -0.327 0.000 2.187 31 F HA 0.014 4.541 4.527 0.000 0.000 0.295 31 F C 1.719 177.441 175.800 -0.130 0.000 1.091 31 F CA 1.242 58.779 58.000 -0.773 0.000 1.308 31 F CB -0.815 37.596 39.000 -0.982 0.000 1.030 31 F HN -0.284 nan 8.300 nan 0.000 0.487 32 L N 0.910 122.042 121.223 -0.151 0.000 2.313 32 L HA -0.055 4.285 4.340 0.000 0.000 0.214 32 L C 1.193 178.046 176.870 -0.029 0.000 1.119 32 L CA 0.271 55.038 54.840 -0.121 0.000 0.809 32 L CB -0.907 41.088 42.059 -0.108 0.000 0.933 32 L HN 0.065 nan 8.230 nan 0.000 0.449 33 K N -0.108 120.295 120.400 0.005 0.000 2.397 33 K HA -0.076 4.244 4.320 0.000 0.000 0.265 33 K C -0.172 176.435 176.600 0.013 0.000 0.982 33 K CA -0.147 56.133 56.287 -0.010 0.000 0.931 33 K CB 0.221 32.701 32.500 -0.033 0.000 0.943 33 K HN -0.045 nan 8.250 nan 0.000 0.501 34 D N -0.119 120.249 120.400 -0.054 0.000 2.737 34 D HA -0.232 4.408 4.640 0.000 0.000 0.233 34 D C -0.643 175.585 176.300 -0.120 0.000 1.155 34 D CA 0.897 54.842 54.000 -0.092 0.000 0.667 34 D CB -1.451 39.240 40.800 -0.183 0.000 1.060 34 D HN 0.495 nan 8.370 nan 0.000 0.427 35 F N 0.912 120.693 119.950 -0.282 0.000 2.578 35 F HA 0.218 4.745 4.527 0.000 0.000 0.381 35 F C -1.505 174.036 175.800 -0.432 0.000 1.069 35 F CA -1.479 56.250 58.000 -0.451 0.000 1.231 35 F CB 0.472 39.286 39.000 -0.310 0.000 1.086 35 F HN -0.174 nan 8.300 nan 0.000 0.564 36 P HA 0.036 nan 4.420 nan 0.000 0.268 36 P C 0.165 177.276 177.300 -0.315 0.000 1.205 36 P CA 0.116 62.821 63.100 -0.659 0.000 0.771 36 P CB 0.572 31.778 31.700 -0.824 0.000 0.858 37 E N 1.363 121.480 120.200 -0.138 0.000 2.204 37 E HA -0.189 4.161 4.350 0.000 0.000 0.195 37 E C 1.060 177.662 176.600 0.002 0.000 0.990 37 E CA 1.122 57.502 56.400 -0.033 0.000 0.821 37 E CB -0.077 29.605 29.700 -0.031 0.000 0.750 37 E HN 0.615 nan 8.360 nan 0.000 0.477 38 D N -0.184 120.222 120.400 0.009 0.000 2.349 38 D HA -0.078 4.562 4.640 0.000 0.000 0.215 38 D C 0.275 176.566 176.300 -0.015 0.000 1.016 38 D CA 0.167 54.169 54.000 0.003 0.000 0.870 38 D CB -0.073 40.716 40.800 -0.019 0.000 0.917 38 D HN -0.024 nan 8.370 nan 0.000 0.524 39 F N 1.467 121.274 119.950 -0.239 0.000 2.408 39 F HA 0.402 4.929 4.527 0.000 0.000 0.325 39 F C 1.068 176.904 175.800 0.061 0.000 1.082 39 F CA -1.087 56.794 58.000 -0.198 0.000 1.032 39 F CB 1.189 39.836 39.000 -0.589 0.000 1.259 39 F HN -0.201 nan 8.300 nan 0.000 0.503 40 R N 1.822 122.498 120.500 0.294 0.000 2.513 40 R HA 0.419 4.759 4.340 0.000 0.000 0.301 40 R C -2.192 174.245 176.300 0.228 0.000 0.968 40 R CA -0.716 55.535 56.100 0.251 0.000 0.872 40 R CB 1.016 31.321 30.300 0.007 0.000 1.177 40 R HN 0.686 nan 8.270 nan 0.000 0.444 41 Y N 4.913 125.245 120.300 0.054 0.000 2.326 41 Y HA 0.391 4.941 4.550 0.000 0.000 0.337 41 Y C -0.616 175.155 175.900 -0.215 0.000 1.023 41 Y CA -0.977 57.030 58.100 -0.155 0.000 1.143 41 Y CB 1.127 39.309 38.460 -0.462 0.000 1.183 41 Y HN 0.543 nan 8.280 nan 0.000 0.485 42 I N 8.471 128.650 120.570 -0.651 0.000 2.359 42 I HA 0.139 4.309 4.170 0.000 0.000 0.284 42 I C -0.679 175.240 176.117 -0.330 0.000 1.018 42 I CA -0.801 60.142 61.300 -0.596 0.000 1.173 42 I CB 0.792 38.376 38.000 -0.693 0.000 1.326 42 I HN 0.520 nan 8.210 nan 0.000 0.462 43 L N 6.745 128.076 121.223 0.180 0.000 2.380 43 L HA 0.644 4.984 4.340 0.000 0.000 0.273 43 L C 0.133 177.246 176.870 0.405 0.000 1.138 43 L CA 0.375 55.443 54.840 0.380 0.000 0.832 43 L CB 0.944 43.380 42.059 0.628 0.000 1.124 43 L HN 0.707 nan 8.230 nan 0.000 0.454 44 A N 4.970 127.951 122.820 0.270 0.000 2.423 44 A HA 0.574 4.894 4.320 0.000 0.000 0.304 44 A C 0.307 177.961 177.584 0.117 0.000 1.104 44 A CA -0.644 51.537 52.037 0.240 0.000 0.757 44 A CB 1.132 20.228 19.000 0.159 0.000 1.313 44 A HN 0.838 nan 8.150 nan 0.000 0.423 45 L N -0.213 121.016 121.223 0.010 0.000 2.509 45 L HA 0.160 4.500 4.340 0.000 0.000 0.222 45 L C 0.844 177.683 176.870 -0.053 0.000 1.123 45 L CA 0.790 55.559 54.840 -0.118 0.000 0.856 45 L CB 0.112 42.004 42.059 -0.280 0.000 0.985 45 L HN 0.711 nan 8.230 nan 0.000 0.456 46 Q N -0.600 119.198 119.800 -0.004 0.000 2.435 46 Q HA 0.131 4.471 4.340 0.000 0.000 0.282 46 Q C -0.411 175.618 176.000 0.048 0.000 1.020 46 Q CA -0.257 55.558 55.803 0.020 0.000 0.820 46 Q CB 2.348 31.096 28.738 0.017 0.000 1.436 46 Q HN -0.015 nan 8.270 nan 0.000 0.395 47 E N 0.903 121.140 120.200 0.061 0.000 2.208 47 E HA -0.033 4.317 4.350 0.000 0.000 0.193 47 E C 1.462 178.102 176.600 0.066 0.000 0.988 47 E CA 1.347 57.790 56.400 0.072 0.000 0.828 47 E CB 0.070 29.819 29.700 0.082 0.000 0.763 47 E HN 0.639 nan 8.360 nan 0.000 0.478 48 A N 0.214 123.073 122.820 0.066 0.000 1.933 48 A HA -0.200 4.120 4.320 0.000 0.000 0.218 48 A C 2.224 179.843 177.584 0.060 0.000 1.175 48 A CA 1.310 53.390 52.037 0.072 0.000 0.628 48 A CB -0.827 18.227 19.000 0.090 0.000 0.814 48 A HN 0.418 nan 8.150 nan 0.000 0.444 49 C N -1.475 117.856 119.300 0.051 0.000 2.457 49 C HA 0.002 4.462 4.460 0.000 0.000 0.278 49 C C 2.664 177.673 174.990 0.032 0.000 1.309 49 C CA 0.684 59.724 59.018 0.035 0.000 1.735 49 C CB -1.240 26.519 27.740 0.032 0.000 1.992 49 C HN 0.444 nan 8.230 nan 0.000 0.493 50 V N 1.065 121.010 119.914 0.052 0.000 2.255 50 V HA -0.204 3.916 4.120 0.000 0.000 0.247 50 V C 2.468 178.566 176.094 0.007 0.000 1.051 50 V CA 2.246 64.584 62.300 0.063 0.000 1.018 50 V CB -0.660 31.214 31.823 0.086 0.000 0.641 50 V HN 0.460 nan 8.190 nan 0.000 0.445 51 V N 0.674 120.600 119.914 0.019 0.000 2.427 51 V HA -0.120 4.000 4.120 0.000 0.000 0.248 51 V C 2.599 178.677 176.094 -0.027 0.000 1.051 51 V CA 1.964 64.266 62.300 0.003 0.000 1.048 51 V CB -1.323 30.527 31.823 0.046 0.000 0.666 51 V HN 0.613 nan 8.190 nan 0.000 0.456 52 G N 0.037 108.829 108.800 -0.013 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 1.584 176.372 174.900 -0.187 0.000 1.158 52 G CA 0.995 46.059 45.100 -0.060 0.000 0.771 52 G HN 0.473 nan 8.290 nan 0.000 0.545 53 I N 1.422 121.886 120.570 -0.177 0.000 2.142 53 I HA -0.197 3.973 4.170 0.000 0.000 0.240 53 I C 3.322 179.138 176.117 -0.501 0.000 1.078 53 I CA 1.111 62.263 61.300 -0.246 0.000 1.343 53 I CB -0.274 37.654 38.000 -0.120 0.000 1.046 53 I HN 0.239 nan 8.210 nan 0.000 0.405 54 A N 0.155 122.535 122.820 -0.734 0.000 1.940 54 A HA -0.304 4.016 4.320 0.000 0.000 0.219 54 A C 2.042 179.411 177.584 -0.358 0.000 1.176 54 A CA 2.294 53.736 52.037 -0.992 0.000 0.631 54 A CB -0.666 17.964 19.000 -0.615 0.000 0.814 54 A HN 0.464 nan 8.150 nan 0.000 0.446 55 D N -0.451 119.838 120.400 -0.185 0.000 2.084 55 D HA -0.071 4.569 4.640 0.000 0.000 0.194 55 D C 2.133 178.405 176.300 -0.046 0.000 0.990 55 D CA 1.730 55.720 54.000 -0.017 0.000 0.826 55 D CB -0.719 40.165 40.800 0.139 0.000 0.971 55 D HN 0.288 nan 8.370 nan 0.000 0.453 56 G N -0.902 107.801 108.800 -0.162 0.000 2.442 56 G HA2 -0.328 3.632 3.960 0.000 0.000 0.219 56 G HA3 -0.328 3.632 3.960 0.000 0.000 0.219 56 G C 1.700 176.481 174.900 -0.198 0.000 1.141 56 G CA 1.064 45.995 45.100 -0.282 0.000 0.763 56 G HN 0.388 nan 8.290 nan 0.000 0.554 57 Y N 1.934 122.074 120.300 -0.267 0.000 2.145 57 Y HA 0.016 4.566 4.550 0.000 0.000 0.286 57 Y C 2.936 178.786 175.900 -0.083 0.000 1.145 57 Y CA 1.413 59.416 58.100 -0.162 0.000 1.148 57 Y CB -0.409 37.939 38.460 -0.187 0.000 0.981 57 Y HN 0.251 nan 8.280 nan 0.000 0.507 58 A N 0.134 122.950 122.820 -0.005 0.000 1.877 58 A HA -0.252 4.068 4.320 0.000 0.000 0.216 58 A C 2.131 179.686 177.584 -0.048 0.000 1.186 58 A CA 2.002 54.031 52.037 -0.014 0.000 0.620 58 A CB -0.779 18.257 19.000 0.060 0.000 0.822 58 A HN 0.660 nan 8.150 nan 0.000 0.443 59 Q N -0.883 118.898 119.800 -0.031 0.000 2.084 59 Q HA -0.102 4.238 4.340 0.000 0.000 0.202 59 Q C 2.424 178.454 176.000 0.051 0.000 0.978 59 Q CA 1.403 57.235 55.803 0.048 0.000 0.844 59 Q CB -0.331 28.469 28.738 0.104 0.000 0.898 59 Q HN 0.691 nan 8.270 nan 0.000 0.426 60 A N 0.335 123.104 122.820 -0.084 0.000 1.929 60 A HA -0.080 4.240 4.320 0.000 0.000 0.216 60 A C 2.167 179.695 177.584 -0.092 0.000 1.176 60 A CA 1.293 53.313 52.037 -0.029 0.000 0.628 60 A CB -0.156 18.776 19.000 -0.114 0.000 0.816 60 A HN 0.224 nan 8.150 nan 0.000 0.444 61 S N -0.875 114.685 115.700 -0.233 0.000 2.489 61 S HA 0.044 4.514 4.470 0.000 0.000 0.228 61 S C 0.600 175.130 174.600 -0.117 0.000 0.995 61 S CA 0.359 58.406 58.200 -0.254 0.000 0.934 61 S CB -0.169 62.722 63.200 -0.515 0.000 0.771 61 S HN 0.589 nan 8.310 nan 0.000 0.522 62 R N 1.062 121.525 120.500 -0.061 0.000 3.422 62 R HA -0.185 4.155 4.340 0.000 0.000 0.267 62 R C -0.328 175.969 176.300 -0.005 0.000 1.074 62 R CA 0.898 56.993 56.100 -0.008 0.000 0.718 62 R CB -1.869 28.436 30.300 0.009 0.000 1.157 62 R HN 0.661 nan 8.270 nan 0.000 0.440 63 K N -1.356 119.039 120.400 -0.009 0.000 2.555 63 K HA 0.568 4.888 4.320 0.000 0.000 0.279 63 K C -3.131 173.511 176.600 0.069 0.000 0.986 63 K CA -2.123 54.181 56.287 0.028 0.000 0.880 63 K CB 2.683 35.198 32.500 0.024 0.000 1.474 63 K HN -0.293 nan 8.250 nan 0.000 0.433 64 P HA 0.121 nan 4.420 nan 0.000 0.271 64 P C -1.099 176.339 177.300 0.230 0.000 1.218 64 P CA -0.246 62.939 63.100 0.143 0.000 0.780 64 P CB 1.024 32.804 31.700 0.134 0.000 0.901 65 A N 2.629 125.601 122.820 0.254 0.000 2.355 65 A HA 0.653 4.973 4.320 0.000 0.000 0.324 65 A C -1.293 176.509 177.584 0.363 0.000 1.117 65 A CA -0.586 51.675 52.037 0.374 0.000 0.785 65 A CB 0.631 19.811 19.000 0.300 0.000 1.254 65 A HN 0.475 nan 8.150 nan 0.000 0.453 66 F N 1.910 122.054 119.950 0.324 0.000 2.436 66 F HA 0.743 5.270 4.527 0.000 0.000 0.340 66 F C -0.592 175.397 175.800 0.315 0.000 1.113 66 F CA -0.673 57.491 58.000 0.274 0.000 1.022 66 F CB 0.944 40.102 39.000 0.263 0.000 1.128 66 F HN 0.424 nan 8.300 nan 0.000 0.466 67 I N 4.585 124.955 120.570 -0.333 0.000 2.689 67 I HA 0.335 4.505 4.170 0.000 0.000 0.299 67 I C -1.205 174.756 176.117 -0.259 0.000 1.059 67 I CA -0.885 60.360 61.300 -0.091 0.000 1.055 67 I CB 2.286 40.273 38.000 -0.021 0.000 1.243 67 I HN 0.557 nan 8.210 nan 0.000 0.425 68 N N 5.741 124.466 118.700 0.041 0.000 2.461 68 N HA 0.657 5.397 4.740 0.000 0.000 0.284 68 N C -1.708 173.896 175.510 0.156 0.000 1.049 68 N CA -0.339 52.775 53.050 0.107 0.000 0.889 68 N CB 1.164 39.881 38.487 0.382 0.000 1.365 68 N HN 0.458 nan 8.380 nan 0.000 0.499 69 L N 1.046 122.343 121.223 0.123 0.000 2.279 69 L HA 0.491 4.831 4.340 0.000 0.000 0.262 69 L C -0.474 176.515 176.870 0.199 0.000 1.019 69 L CA -1.252 53.687 54.840 0.165 0.000 0.823 69 L CB 1.470 43.616 42.059 0.145 0.000 1.358 69 L HN 0.583 nan 8.230 nan 0.000 0.432 70 H N 0.400 119.536 119.070 0.111 0.000 2.690 70 H HA 0.315 4.871 4.556 0.000 0.000 0.289 70 H C 0.389 175.778 175.328 0.101 0.000 1.089 70 H CA 0.799 56.909 56.048 0.104 0.000 1.299 70 H CB 0.732 30.546 29.762 0.088 0.000 1.405 70 H HN 0.690 nan 8.280 nan 0.000 0.463 71 S N 3.068 118.593 115.700 -0.292 0.000 3.319 71 S HA -0.395 4.075 4.470 0.000 0.000 0.619 71 S C 1.783 176.335 174.600 -0.080 0.000 2.833 71 S CA 1.929 59.981 58.200 -0.247 0.000 3.997 71 S CB -1.310 61.588 63.200 -0.503 0.000 0.417 71 S HN 1.085 nan 8.310 nan 0.000 1.244 72 A N 0.242 123.015 122.820 -0.079 0.000 1.897 72 A HA 0.380 4.700 4.320 0.000 0.000 0.215 72 A C 2.572 180.156 177.584 -0.000 0.000 1.181 72 A CA 2.251 54.279 52.037 -0.015 0.000 0.620 72 A CB -1.378 17.612 19.000 -0.018 0.000 0.821 72 A HN 1.600 nan 8.150 nan 0.000 0.443 73 A N -0.457 122.367 122.820 0.007 0.000 1.929 73 A HA 0.210 4.530 4.320 0.000 0.000 0.216 73 A C 2.356 179.983 177.584 0.071 0.000 1.176 73 A CA 1.707 53.773 52.037 0.047 0.000 0.628 73 A CB -1.252 17.798 19.000 0.083 0.000 0.816 73 A HN 0.652 nan 8.150 nan 0.000 0.444 74 G N -0.883 107.977 108.800 0.101 0.000 2.421 74 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 74 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 74 G C 1.576 176.531 174.900 0.093 0.000 1.171 74 G CA 1.657 46.832 45.100 0.125 0.000 0.775 74 G HN 0.414 nan 8.290 nan 0.000 0.543 75 T N 0.952 115.557 114.554 0.084 0.000 2.746 75 T HA -0.037 4.313 4.350 0.000 0.000 0.267 75 T C 2.496 177.199 174.700 0.004 0.000 1.039 75 T CA 1.470 63.609 62.100 0.066 0.000 1.142 75 T CB -0.569 68.336 68.868 0.062 0.000 0.866 75 T HN 0.353 nan 8.240 nan 0.000 0.444 76 G N 1.867 110.667 108.800 -0.001 0.000 2.422 76 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 76 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 76 G C 1.628 176.534 174.900 0.011 0.000 1.146 76 G CA 0.549 45.641 45.100 -0.014 0.000 0.769 76 G HN 0.377 nan 8.290 nan 0.000 0.547 77 N N 1.030 119.750 118.700 0.034 0.000 2.364 77 N HA -0.029 4.711 4.740 0.000 0.000 0.183 77 N C 2.014 177.553 175.510 0.049 0.000 1.022 77 N CA 1.008 54.086 53.050 0.047 0.000 0.883 77 N CB -0.161 38.361 38.487 0.059 0.000 0.965 77 N HN 0.338 nan 8.380 nan 0.000 0.438 78 A N -0.452 122.394 122.820 0.042 0.000 2.308 78 A HA 0.172 4.492 4.320 0.000 0.000 0.217 78 A C 1.844 179.445 177.584 0.028 0.000 1.216 78 A CA -0.024 52.040 52.037 0.045 0.000 0.864 78 A CB -0.033 19.000 19.000 0.055 0.000 0.902 78 A HN 0.051 nan 8.150 nan 0.000 0.499 79 M N -0.582 119.021 119.600 0.005 0.000 2.319 79 M HA -0.044 4.436 4.480 0.000 0.000 0.265 79 M C 2.158 178.456 176.300 -0.003 0.000 1.068 79 M CA 1.366 56.654 55.300 -0.019 0.000 1.118 79 M CB -1.185 31.384 32.600 -0.051 0.000 1.395 79 M HN 0.502 nan 8.290 nan 0.000 0.435 80 G N 0.160 108.971 108.800 0.018 0.000 2.408 80 G HA2 -0.077 3.883 3.960 0.000 0.000 0.217 80 G HA3 -0.077 3.883 3.960 0.000 0.000 0.217 80 G C 1.644 176.567 174.900 0.039 0.000 1.150 80 G CA 1.006 46.120 45.100 0.022 0.000 0.776 80 G HN 0.520 nan 8.290 nan 0.000 0.542 81 A N 0.536 123.394 122.820 0.064 0.000 1.972 81 A HA 0.099 4.419 4.320 0.000 0.000 0.219 81 A C 2.387 180.023 177.584 0.086 0.000 1.169 81 A CA 1.127 53.221 52.037 0.095 0.000 0.635 81 A CB -0.336 18.724 19.000 0.100 0.000 0.810 81 A HN 0.367 nan 8.150 nan 0.000 0.446 82 L N 0.333 121.593 121.223 0.062 0.000 2.141 82 L HA -0.159 4.181 4.340 0.000 0.000 0.209 82 L C 3.015 179.939 176.870 0.090 0.000 1.094 82 L CA 1.353 56.237 54.840 0.074 0.000 0.763 82 L CB -0.471 41.610 42.059 0.038 0.000 0.908 82 L HN 0.645 nan 8.230 nan 0.000 0.437 83 S N -0.080 115.647 115.700 0.045 0.000 2.368 83 S HA -0.196 4.274 4.470 0.000 0.000 0.225 83 S C 1.794 176.432 174.600 0.063 0.000 1.030 83 S CA 1.348 59.574 58.200 0.042 0.000 0.999 83 S CB -0.451 62.744 63.200 -0.009 0.000 0.844 83 S HN 0.429 nan 8.310 nan 0.000 0.459 84 N N 2.703 121.410 118.700 0.011 0.000 2.084 84 N HA 0.013 4.753 4.740 0.000 0.000 0.190 84 N C 2.077 177.566 175.510 -0.035 0.000 1.030 84 N CA 1.592 54.600 53.050 -0.070 0.000 0.849 84 N CB -1.004 37.387 38.487 -0.159 0.000 1.012 84 N HN 0.640 nan 8.380 nan 0.000 0.423 85 A N 1.287 124.139 122.820 0.054 0.000 1.972 85 A HA -0.159 4.161 4.320 0.000 0.000 0.219 85 A C 2.045 179.684 177.584 0.091 0.000 1.169 85 A CA 0.930 53.014 52.037 0.077 0.000 0.635 85 A CB -1.001 18.071 19.000 0.120 0.000 0.810 85 A HN 0.587 nan 8.150 nan 0.000 0.446 86 W N 1.064 122.346 121.300 -0.029 0.000 2.355 86 W HA -0.197 4.463 4.660 0.000 0.000 0.309 86 W C 1.387 177.841 176.519 -0.109 0.000 1.206 86 W CA 2.030 59.357 57.345 -0.029 0.000 1.284 86 W CB -0.404 29.041 29.460 -0.026 0.000 1.145 86 W HN 0.399 nan 8.180 nan 0.000 0.502 87 N N 0.286 118.950 118.700 -0.060 0.000 2.396 87 N HA -0.135 4.605 4.740 0.000 0.000 0.180 87 N C 1.759 177.049 175.510 -0.367 0.000 1.028 87 N CA 1.854 54.767 53.050 -0.228 0.000 0.893 87 N CB -0.447 37.984 38.487 -0.094 0.000 0.967 87 N HN 0.117 nan 8.380 nan 0.000 0.440 88 S N -1.255 114.293 115.700 -0.253 0.000 2.605 88 S HA 0.060 4.531 4.470 0.000 0.000 0.217 88 S C -0.128 174.403 174.600 -0.114 0.000 0.958 88 S CA -0.263 57.830 58.200 -0.179 0.000 0.919 88 S CB -0.671 62.483 63.200 -0.078 0.000 0.780 88 S HN 0.409 nan 8.310 nan 0.000 0.507 89 H N 0.666 119.642 119.070 -0.155 0.000 2.741 89 H HA -0.132 4.424 4.556 0.000 0.000 0.305 89 H C -0.572 174.719 175.328 -0.061 0.000 1.169 89 H CA 0.414 56.365 56.048 -0.161 0.000 1.144 89 H CB -2.179 27.496 29.762 -0.144 0.000 1.397 89 H HN 0.368 nan 8.280 nan 0.000 0.409 90 S N 2.250 117.990 115.700 0.066 0.000 2.499 90 S HA 0.146 4.616 4.470 0.000 0.000 0.275 90 S C -1.831 172.821 174.600 0.086 0.000 1.257 90 S CA -1.073 57.177 58.200 0.082 0.000 1.050 90 S CB 1.029 64.280 63.200 0.085 0.000 0.937 90 S HN 0.189 nan 8.310 nan 0.000 0.490 91 P HA 0.183 nan 4.420 nan 0.000 0.263 91 P C -1.108 176.256 177.300 0.106 0.000 1.601 91 P CA 0.045 63.198 63.100 0.087 0.000 1.161 91 P CB -0.304 31.439 31.700 0.072 0.000 1.730 92 L N 4.445 125.736 121.223 0.114 0.000 2.313 92 L HA 0.505 4.845 4.340 0.000 0.000 0.283 92 L C 0.607 177.545 176.870 0.113 0.000 1.013 92 L CA -0.990 53.916 54.840 0.110 0.000 0.816 92 L CB 1.890 44.006 42.059 0.096 0.000 1.236 92 L HN 0.136 nan 8.230 nan 0.000 0.419 93 I N 4.202 124.826 120.570 0.089 0.000 2.287 93 I HA 0.203 4.373 4.170 0.000 0.000 0.290 93 I C -0.266 175.776 176.117 -0.125 0.000 1.069 93 I CA -0.472 60.854 61.300 0.043 0.000 1.237 93 I CB 1.258 39.326 38.000 0.113 0.000 1.418 93 I HN 0.247 nan 8.210 nan 0.000 0.481 94 V N 5.282 125.182 119.914 -0.024 0.000 2.364 94 V HA 0.318 4.438 4.120 0.000 0.000 0.272 94 V C 0.571 176.577 176.094 -0.147 0.000 1.036 94 V CA -0.435 61.839 62.300 -0.042 0.000 0.880 94 V CB 1.236 33.172 31.823 0.189 0.000 0.991 94 V HN 0.795 nan 8.190 nan 0.000 0.460 95 T N 2.316 116.690 114.554 -0.300 0.000 2.859 95 T HA 0.876 5.226 4.350 0.000 0.000 0.281 95 T C -0.386 174.193 174.700 -0.201 0.000 1.005 95 T CA -0.494 61.419 62.100 -0.311 0.000 1.025 95 T CB 1.972 70.647 68.868 -0.322 0.000 0.977 95 T HN 1.015 nan 8.240 nan 0.000 0.458 96 A N 1.750 124.425 122.820 -0.242 0.000 2.449 96 A HA 0.869 5.189 4.320 0.000 0.000 0.302 96 A C 0.256 177.819 177.584 -0.036 0.000 1.048 96 A CA -0.715 51.273 52.037 -0.082 0.000 0.708 96 A CB 1.393 20.380 19.000 -0.021 0.000 1.274 96 A HN 1.331 nan 8.150 nan 0.000 0.410 97 G N 0.261 109.105 108.800 0.074 0.000 2.415 97 G HA2 0.488 4.448 3.960 0.000 0.000 0.269 97 G HA3 0.488 4.448 3.960 0.000 0.000 0.269 97 G C -0.236 174.715 174.900 0.085 0.000 1.209 97 G CA -0.057 45.137 45.100 0.156 0.000 0.835 97 G HN 0.846 nan 8.290 nan 0.000 0.534 98 Q N 0.315 120.177 119.800 0.103 0.000 2.297 98 Q HA 0.340 4.680 4.340 0.000 0.000 0.269 98 Q C 0.253 176.331 176.000 0.131 0.000 1.051 98 Q CA -0.683 55.151 55.803 0.051 0.000 0.869 98 Q CB 1.060 29.785 28.738 -0.023 0.000 1.346 98 Q HN 0.487 nan 8.270 nan 0.000 0.457 99 Q N 0.428 120.276 119.800 0.080 0.000 2.479 99 Q HA 0.042 4.382 4.340 0.000 0.000 0.267 99 Q C -0.444 175.445 176.000 -0.186 0.000 1.071 99 Q CA 0.387 56.234 55.803 0.074 0.000 0.935 99 Q CB 0.549 29.314 28.738 0.047 0.000 1.295 99 Q HN 0.845 nan 8.270 nan 0.000 0.476 100 T N 1.014 115.223 114.554 -0.574 0.000 2.946 100 T HA -0.048 4.302 4.350 0.000 0.000 0.312 100 T C 1.399 175.916 174.700 -0.305 0.000 1.066 100 T CA 0.267 61.933 62.100 -0.724 0.000 1.138 100 T CB 0.359 68.664 68.868 -0.938 0.000 1.014 100 T HN 0.498 nan 8.240 nan 0.000 0.544 101 R N 3.030 123.382 120.500 -0.245 0.000 2.127 101 R HA -0.095 4.245 4.340 0.000 0.000 0.238 101 R C 2.578 178.810 176.300 -0.114 0.000 1.134 101 R CA 1.408 57.417 56.100 -0.152 0.000 0.975 101 R CB -0.500 29.723 30.300 -0.129 0.000 0.865 101 R HN 0.754 nan 8.270 nan 0.000 0.447 102 A N 0.377 123.128 122.820 -0.115 0.000 2.125 102 A HA -0.092 4.228 4.320 0.000 0.000 0.219 102 A C 1.693 179.244 177.584 -0.055 0.000 1.156 102 A CA 1.147 53.141 52.037 -0.072 0.000 0.671 102 A CB -0.159 18.807 19.000 -0.057 0.000 0.794 102 A HN 0.231 nan 8.150 nan 0.000 0.459 103 M N -1.402 118.159 119.600 -0.065 0.000 2.347 103 M HA 0.336 4.816 4.480 0.000 0.000 0.302 103 M C 1.030 177.313 176.300 -0.029 0.000 1.051 103 M CA 0.047 55.328 55.300 -0.031 0.000 0.988 103 M CB 0.275 32.872 32.600 -0.004 0.000 1.475 103 M HN 0.242 nan 8.290 nan 0.000 0.530 104 I N 0.636 121.177 120.570 -0.047 0.000 2.252 104 I HA -0.131 4.039 4.170 0.000 0.000 0.245 104 I C 2.511 178.609 176.117 -0.031 0.000 1.102 104 I CA 1.478 62.752 61.300 -0.042 0.000 1.385 104 I CB -0.509 37.454 38.000 -0.061 0.000 1.064 104 I HN 0.427 nan 8.210 nan 0.000 0.414 105 G N 0.953 109.734 108.800 -0.032 0.000 2.446 105 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 105 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 105 G C 1.657 176.547 174.900 -0.017 0.000 1.168 105 G CA 1.234 46.319 45.100 -0.025 0.000 0.771 105 G HN 0.401 nan 8.290 nan 0.000 0.551 106 V N -1.934 117.973 119.914 -0.012 0.000 3.380 106 V HA 0.209 4.329 4.120 0.000 0.000 0.268 106 V C 0.662 176.755 176.094 -0.002 0.000 1.168 106 V CA 1.038 63.335 62.300 -0.005 0.000 1.156 106 V CB -0.864 30.959 31.823 -0.001 0.000 0.785 106 V HN 0.547 nan 8.190 nan 0.000 0.487 107 E N -0.065 120.133 120.200 -0.004 0.000 2.246 107 E HA -0.203 4.147 4.350 0.000 0.000 0.211 107 E C 0.644 177.251 176.600 0.011 0.000 1.278 107 E CA 0.192 56.592 56.400 -0.000 0.000 0.694 107 E CB -1.663 28.035 29.700 -0.003 0.000 1.166 107 E HN 1.077 nan 8.360 nan 0.000 0.370 108 A N 0.811 123.642 122.820 0.017 0.000 2.492 108 A HA 0.247 4.567 4.320 0.000 0.000 0.236 108 A C 0.519 178.127 177.584 0.041 0.000 1.078 108 A CA -0.215 51.841 52.037 0.032 0.000 0.773 108 A CB 0.351 19.378 19.000 0.044 0.000 1.023 108 A HN 0.376 nan 8.150 nan 0.000 0.504 109 L N 0.989 122.242 121.223 0.049 0.000 2.559 109 L HA 0.066 4.406 4.340 0.000 0.000 0.282 109 L C 0.856 177.773 176.870 0.079 0.000 1.232 109 L CA 1.542 56.417 54.840 0.059 0.000 0.885 109 L CB -0.421 41.677 42.059 0.064 0.000 1.131 109 L HN 0.743 nan 8.230 nan 0.000 0.498 110 L N 1.536 122.802 121.223 0.071 0.000 4.950 110 L HA -0.223 4.117 4.340 0.000 0.000 0.413 110 L C 0.442 177.327 176.870 0.025 0.000 1.020 110 L CA 0.400 55.278 54.840 0.063 0.000 1.239 110 L CB -2.708 39.441 42.059 0.150 0.000 2.004 110 L HN 0.733 nan 8.230 nan 0.000 0.658 111 T N 1.240 115.810 114.554 0.027 0.000 2.888 111 T HA 0.128 4.478 4.350 0.000 0.000 0.301 111 T C 0.672 175.365 174.700 -0.012 0.000 1.001 111 T CA 0.157 62.261 62.100 0.006 0.000 1.147 111 T CB 0.825 69.694 68.868 0.002 0.000 0.931 111 T HN 0.197 nan 8.240 nan 0.000 0.541 112 N N 3.830 122.518 118.700 -0.020 0.000 2.521 112 N HA 0.155 4.895 4.740 0.000 0.000 0.236 112 N C -0.587 174.912 175.510 -0.018 0.000 1.067 112 N CA -0.359 52.681 53.050 -0.017 0.000 0.939 112 N CB 0.313 38.798 38.487 -0.003 0.000 1.201 112 N HN 0.271 nan 8.380 nan 0.000 0.511 113 V N 3.309 123.211 119.914 -0.019 0.000 2.572 113 V HA 0.035 4.155 4.120 0.000 0.000 0.291 113 V C 0.753 176.829 176.094 -0.030 0.000 1.039 113 V CA -0.170 62.115 62.300 -0.025 0.000 1.055 113 V CB 0.629 32.439 31.823 -0.022 0.000 0.969 113 V HN 0.752 nan 8.190 nan 0.000 0.482 114 D N 3.207 123.584 120.400 -0.038 0.000 2.689 114 D HA -0.244 4.396 4.640 0.000 0.000 0.237 114 D C 1.295 177.572 176.300 -0.039 0.000 1.148 114 D CA 0.937 54.911 54.000 -0.044 0.000 0.656 114 D CB -0.595 40.179 40.800 -0.043 0.000 1.050 114 D HN 0.810 nan 8.370 nan 0.000 0.426 115 A N 0.467 123.271 122.820 -0.026 0.000 1.892 115 A HA -0.023 4.297 4.320 0.000 0.000 0.218 115 A C 2.495 180.118 177.584 0.065 0.000 1.188 115 A CA 2.710 54.767 52.037 0.033 0.000 0.631 115 A CB -0.764 18.254 19.000 0.030 0.000 0.822 115 A HN 0.788 nan 8.150 nan 0.000 0.447 116 A N -0.538 122.283 122.820 0.001 0.000 2.070 116 A HA -0.142 4.178 4.320 0.000 0.000 0.220 116 A C 1.796 179.346 177.584 -0.057 0.000 1.159 116 A CA 1.639 53.674 52.037 -0.004 0.000 0.656 116 A CB -0.507 18.434 19.000 -0.099 0.000 0.800 116 A HN 0.542 nan 8.150 nan 0.000 0.453 117 N N -0.552 118.105 118.700 -0.071 0.000 2.446 117 N HA -0.030 4.710 4.740 0.000 0.000 0.179 117 N C 1.451 176.883 175.510 -0.130 0.000 1.054 117 N CA 0.648 53.642 53.050 -0.093 0.000 0.905 117 N CB -0.232 38.211 38.487 -0.073 0.000 0.973 117 N HN 0.438 nan 8.380 nan 0.000 0.448 118 L N 2.592 123.726 121.223 -0.150 0.000 1.989 118 L HA -0.037 4.303 4.340 0.000 0.000 0.211 118 L C -1.003 175.709 176.870 -0.263 0.000 1.071 118 L CA 2.076 56.803 54.840 -0.188 0.000 0.749 118 L CB -1.355 40.597 42.059 -0.178 0.000 0.890 118 L HN 0.093 nan 8.230 nan 0.000 0.431 119 P HA -0.054 nan 4.420 nan 0.000 0.245 119 P C -0.094 177.053 177.300 -0.254 0.000 1.206 119 P CA 0.339 63.211 63.100 -0.380 0.000 0.781 119 P CB -0.059 31.270 31.700 -0.619 0.000 0.994 120 R N 1.918 122.287 120.500 -0.218 0.000 2.643 120 R HA 0.161 4.501 4.340 0.000 0.000 0.270 120 R C -1.387 174.788 176.300 -0.209 0.000 1.061 120 R CA -1.026 54.954 56.100 -0.200 0.000 1.107 120 R CB -0.205 30.003 30.300 -0.153 0.000 0.999 120 R HN 0.105 nan 8.270 nan 0.000 0.460 121 P HA 0.105 nan 4.420 nan 0.000 0.254 121 P C 0.114 177.028 177.300 -0.644 0.000 1.494 121 P CA 0.360 63.237 63.100 -0.371 0.000 0.961 121 P CB 0.320 31.816 31.700 -0.340 0.000 1.493 122 L N -0.055 120.882 121.223 -0.476 0.000 2.685 122 L HA 0.195 4.535 4.340 0.000 0.000 0.233 122 L C 0.725 177.519 176.870 -0.127 0.000 1.173 122 L CA -0.306 54.252 54.840 -0.470 0.000 0.961 122 L CB 0.285 42.221 42.059 -0.204 0.000 1.217 122 L HN -0.126 nan 8.230 nan 0.000 0.478 123 V N -5.056 114.785 119.914 -0.122 0.000 2.962 123 V HA 0.393 4.513 4.120 0.000 0.000 0.313 123 V C 0.593 176.890 176.094 0.339 0.000 1.099 123 V CA -1.004 61.419 62.300 0.205 0.000 0.971 123 V CB 2.205 34.109 31.823 0.134 0.000 1.028 123 V HN 0.039 nan 8.190 nan 0.000 0.430 124 K N 0.725 121.424 120.400 0.498 0.000 2.228 124 K HA 0.141 4.461 4.320 0.000 0.000 0.202 124 K C -0.332 176.514 176.600 0.411 0.000 1.051 124 K CA 1.356 57.922 56.287 0.464 0.000 0.960 124 K CB 0.206 32.914 32.500 0.346 0.000 0.743 124 K HN 0.740 nan 8.250 nan 0.000 0.458 125 W N -0.193 121.199 121.300 0.153 0.000 3.573 125 W HA 0.325 4.985 4.660 0.000 0.000 0.306 125 W C -1.748 174.860 176.519 0.149 0.000 1.227 125 W CA -0.649 56.765 57.345 0.114 0.000 1.212 125 W CB 1.812 31.317 29.460 0.076 0.000 1.331 125 W HN -0.337 nan 8.180 nan 0.000 0.524 126 S N 4.872 120.291 115.700 -0.469 0.000 2.566 126 S HA 0.735 5.205 4.470 0.000 0.000 0.273 126 S C -2.321 171.973 174.600 -0.510 0.000 1.157 126 S CA -0.343 57.682 58.200 -0.292 0.000 0.938 126 S CB 0.808 63.968 63.200 -0.067 0.000 1.087 126 S HN 0.542 nan 8.310 nan 0.000 0.474 127 Y N 2.054 121.976 120.300 -0.631 0.000 2.558 127 Y HA 0.538 5.089 4.550 0.000 0.000 0.333 127 Y C -1.392 174.295 175.900 -0.355 0.000 1.125 127 Y CA -0.658 57.055 58.100 -0.644 0.000 1.039 127 Y CB 1.604 39.325 38.460 -1.233 0.000 1.331 127 Y HN 0.732 nan 8.280 nan 0.000 0.456 128 E N 6.249 125.937 120.200 -0.854 0.000 2.224 128 E HA 0.534 4.884 4.350 0.000 0.000 0.265 128 E C -2.898 173.140 176.600 -0.936 0.000 0.878 128 E CA -2.497 53.512 56.400 -0.652 0.000 0.759 128 E CB 2.059 31.528 29.700 -0.385 0.000 1.164 128 E HN 0.310 nan 8.360 nan 0.000 0.414 129 P HA 0.119 nan 4.420 nan 0.000 0.272 129 P C -0.431 176.744 177.300 -0.207 0.000 1.223 129 P CA -0.015 62.932 63.100 -0.254 0.000 0.784 129 P CB 1.151 32.836 31.700 -0.025 0.000 0.923 130 A N 1.096 123.865 122.820 -0.085 0.000 2.251 130 A HA 0.284 4.604 4.320 0.000 0.000 0.209 130 A C 0.549 178.103 177.584 -0.048 0.000 1.187 130 A CA 0.848 52.844 52.037 -0.069 0.000 0.823 130 A CB -0.543 18.452 19.000 -0.010 0.000 0.846 130 A HN 0.608 nan 8.150 nan 0.000 0.486 131 S N -3.884 111.792 115.700 -0.040 0.000 2.587 131 S HA 0.609 5.079 4.470 0.000 0.000 0.269 131 S C 0.649 175.214 174.600 -0.059 0.000 1.154 131 S CA -0.047 58.128 58.200 -0.042 0.000 0.824 131 S CB 0.999 64.192 63.200 -0.012 0.000 1.118 131 S HN 0.928 nan 8.310 nan 0.000 0.462 132 A N 1.309 124.086 122.820 -0.072 0.000 1.902 132 A HA 0.281 4.601 4.320 0.000 0.000 0.217 132 A C 2.269 179.820 177.584 -0.054 0.000 1.181 132 A CA 1.970 53.946 52.037 -0.102 0.000 0.623 132 A CB -1.553 17.394 19.000 -0.088 0.000 0.818 132 A HN 1.720 nan 8.150 nan 0.000 0.443 133 A N -0.646 122.169 122.820 -0.008 0.000 2.070 133 A HA -0.139 4.181 4.320 0.000 0.000 0.220 133 A C 1.908 179.522 177.584 0.051 0.000 1.159 133 A CA 1.578 53.630 52.037 0.026 0.000 0.656 133 A CB -0.431 18.587 19.000 0.030 0.000 0.800 133 A HN 0.672 nan 8.150 nan 0.000 0.453 134 E N -0.198 120.035 120.200 0.055 0.000 2.427 134 E HA -0.025 4.325 4.350 0.000 0.000 0.196 134 E C 1.518 178.192 176.600 0.124 0.000 1.028 134 E CA 0.555 57.028 56.400 0.122 0.000 0.864 134 E CB -0.028 29.759 29.700 0.144 0.000 0.813 134 E HN 0.357 nan 8.360 nan 0.000 0.514 135 V N 1.626 121.562 119.914 0.036 0.000 2.295 135 V HA -0.186 3.934 4.120 0.000 0.000 0.246 135 V C -0.820 175.332 176.094 0.097 0.000 1.049 135 V CA 2.020 64.318 62.300 -0.002 0.000 1.024 135 V CB -1.105 30.587 31.823 -0.219 0.000 0.648 135 V HN 0.286 nan 8.190 nan 0.000 0.447 136 P HA -0.176 nan 4.420 nan 0.000 0.216 136 P C 1.683 179.105 177.300 0.204 0.000 1.153 136 P CA 1.540 64.751 63.100 0.185 0.000 0.848 136 P CB -0.184 31.629 31.700 0.189 0.000 0.787 137 H N -0.337 118.781 119.070 0.081 0.000 2.353 137 H HA -0.090 4.466 4.556 0.000 0.000 0.300 137 H C 1.739 177.116 175.328 0.082 0.000 1.090 137 H CA 1.293 57.378 56.048 0.062 0.000 1.327 137 H CB -0.093 29.693 29.762 0.040 0.000 1.383 137 H HN -0.018 nan 8.280 nan 0.000 0.508 138 A N 0.915 123.771 122.820 0.060 0.000 1.933 138 A HA -0.189 4.131 4.320 0.000 0.000 0.218 138 A C 2.392 180.072 177.584 0.161 0.000 1.175 138 A CA 1.643 53.757 52.037 0.128 0.000 0.628 138 A CB -0.615 18.587 19.000 0.336 0.000 0.814 138 A HN 0.505 nan 8.150 nan 0.000 0.444 139 M N -0.261 119.436 119.600 0.161 0.000 2.132 139 M HA -0.067 4.413 4.480 0.000 0.000 0.263 139 M C 2.264 178.619 176.300 0.091 0.000 1.065 139 M CA 2.057 57.462 55.300 0.173 0.000 1.122 139 M CB -0.547 32.175 32.600 0.203 0.000 1.365 139 M HN 0.375 nan 8.290 nan 0.000 0.411 140 S N -0.082 115.661 115.700 0.071 0.000 2.359 140 S HA -0.199 4.271 4.470 0.000 0.000 0.224 140 S C 2.073 176.629 174.600 -0.073 0.000 1.035 140 S CA 1.760 59.980 58.200 0.034 0.000 1.018 140 S CB -0.220 63.080 63.200 0.167 0.000 0.876 140 S HN 0.624 nan 8.310 nan 0.000 0.448 141 R N 0.633 121.009 120.500 -0.207 0.000 2.091 141 R HA -0.039 4.301 4.340 0.000 0.000 0.238 141 R C 2.683 178.675 176.300 -0.514 0.000 1.136 141 R CA 1.377 57.174 56.100 -0.505 0.000 0.959 141 R CB -0.656 29.046 30.300 -0.998 0.000 0.856 141 R HN 0.515 nan 8.270 nan 0.000 0.437 142 A N 1.280 123.954 122.820 -0.244 0.000 1.877 142 A HA -0.167 4.153 4.320 0.000 0.000 0.216 142 A C 2.173 179.753 177.584 -0.007 0.000 1.186 142 A CA 1.338 53.401 52.037 0.044 0.000 0.620 142 A CB -0.553 18.618 19.000 0.284 0.000 0.822 142 A HN 0.190 nan 8.150 nan 0.000 0.443 143 I N -0.970 119.558 120.570 -0.070 0.000 2.118 143 I HA -0.307 3.863 4.170 0.000 0.000 0.241 143 I C 2.515 178.496 176.117 -0.227 0.000 1.070 143 I CA 1.603 62.813 61.300 -0.150 0.000 1.327 143 I CB -0.545 37.287 38.000 -0.279 0.000 1.034 143 I HN 0.412 nan 8.210 nan 0.000 0.405 144 H N -0.197 118.841 119.070 -0.053 0.000 2.395 144 H HA -0.036 4.520 4.556 0.000 0.000 0.299 144 H C 2.345 177.613 175.328 -0.101 0.000 1.070 144 H CA 1.151 57.147 56.048 -0.086 0.000 1.356 144 H CB -0.195 29.497 29.762 -0.118 0.000 1.401 144 H HN 0.258 nan 8.280 nan 0.000 0.524 145 M N 0.406 119.970 119.600 -0.061 0.000 2.159 145 M HA -0.054 4.426 4.480 0.000 0.000 0.263 145 M C 2.521 178.839 176.300 0.029 0.000 1.063 145 M CA 1.035 56.303 55.300 -0.054 0.000 1.110 145 M CB -1.007 31.525 32.600 -0.113 0.000 1.374 145 M HN 0.211 nan 8.290 nan 0.000 0.411 146 A N -0.870 121.981 122.820 0.051 0.000 1.969 146 A HA -0.058 4.262 4.320 0.000 0.000 0.218 146 A C 2.419 180.030 177.584 0.047 0.000 1.169 146 A CA 1.855 53.939 52.037 0.079 0.000 0.635 146 A CB -0.456 18.602 19.000 0.098 0.000 0.810 146 A HN 0.486 nan 8.150 nan 0.000 0.445 147 S N -0.894 114.825 115.700 0.031 0.000 2.483 147 S HA 0.251 4.721 4.470 0.000 0.000 0.221 147 S C 0.821 175.424 174.600 0.005 0.000 1.030 147 S CA -0.110 58.105 58.200 0.025 0.000 0.925 147 S CB -0.157 63.063 63.200 0.033 0.000 0.795 147 S HN 0.530 nan 8.310 nan 0.000 0.511 148 M N 1.933 121.533 119.600 0.000 0.000 2.248 148 M HA 0.257 4.737 4.480 0.000 0.000 0.337 148 M C 0.335 176.600 176.300 -0.058 0.000 1.121 148 M CA -0.334 54.948 55.300 -0.030 0.000 1.155 148 M CB 0.292 32.871 32.600 -0.034 0.000 1.514 148 M HN 0.161 nan 8.290 nan 0.000 0.452 149 A N 4.664 127.439 122.820 -0.076 0.000 2.477 149 A HA 0.414 4.734 4.320 0.000 0.000 0.246 149 A C -2.216 175.289 177.584 -0.133 0.000 1.078 149 A CA -1.159 50.803 52.037 -0.124 0.000 0.770 149 A CB -0.696 18.238 19.000 -0.109 0.000 1.011 149 A HN 0.521 nan 8.150 nan 0.000 0.494 150 P HA 0.146 nan 4.420 nan 0.000 0.282 150 P C -0.527 176.605 177.300 -0.280 0.000 1.262 150 P CA -0.106 62.757 63.100 -0.395 0.000 0.773 150 P CB 0.635 31.995 31.700 -0.567 0.000 0.879 151 Q N 1.124 120.790 119.800 -0.223 0.000 2.474 151 Q HA 0.500 4.840 4.340 0.000 0.000 0.256 151 Q C 0.705 176.689 176.000 -0.027 0.000 1.048 151 Q CA 0.431 56.190 55.803 -0.073 0.000 0.922 151 Q CB 0.404 29.131 28.738 -0.018 0.000 1.288 151 Q HN 0.756 nan 8.270 nan 0.000 0.484 152 G N 0.685 109.502 108.800 0.028 0.000 2.356 152 G HA2 0.300 4.260 3.960 0.000 0.000 0.294 152 G HA3 0.300 4.260 3.960 0.000 0.000 0.294 152 G C -3.119 171.868 174.900 0.145 0.000 1.423 152 G CA -0.943 44.192 45.100 0.058 0.000 0.806 152 G HN 0.352 nan 8.290 nan 0.000 0.527 153 P HA 0.494 nan 4.420 nan 0.000 0.275 153 P C -0.005 177.455 177.300 0.267 0.000 1.228 153 P CA -0.294 62.938 63.100 0.220 0.000 0.786 153 P CB 1.614 33.447 31.700 0.222 0.000 0.927 154 V N 0.085 120.149 119.914 0.250 0.000 3.160 154 V HA 0.697 4.817 4.120 0.000 0.000 0.310 154 V C -1.751 174.528 176.094 0.309 0.000 1.181 154 V CA -1.052 61.437 62.300 0.314 0.000 1.047 154 V CB 2.293 34.341 31.823 0.375 0.000 1.068 154 V HN 0.476 nan 8.190 nan 0.000 0.441 155 Y N 2.062 122.437 120.300 0.124 0.000 2.396 155 Y HA 0.816 5.366 4.550 0.000 0.000 0.332 155 Y C -1.468 174.422 175.900 -0.017 0.000 1.034 155 Y CA -1.067 57.047 58.100 0.022 0.000 1.057 155 Y CB 2.035 40.478 38.460 -0.028 0.000 1.220 155 Y HN 0.933 nan 8.280 nan 0.000 0.440 156 L N 5.417 126.391 121.223 -0.415 0.000 2.376 156 L HA 0.660 5.000 4.340 0.000 0.000 0.275 156 L C -1.006 175.517 176.870 -0.578 0.000 0.987 156 L CA -0.214 54.421 54.840 -0.343 0.000 0.828 156 L CB 1.904 43.933 42.059 -0.049 0.000 1.249 156 L HN 0.571 nan 8.230 nan 0.000 0.409 157 S N 4.259 119.667 115.700 -0.486 0.000 2.462 157 S HA 0.833 5.303 4.470 0.000 0.000 0.294 157 S C -1.068 173.402 174.600 -0.218 0.000 1.144 157 S CA -0.461 57.519 58.200 -0.368 0.000 1.088 157 S CB 1.037 64.076 63.200 -0.268 0.000 1.009 157 S HN 0.464 nan 8.310 nan 0.000 0.484 158 V N 7.242 127.077 119.914 -0.130 0.000 2.482 158 V HA 0.416 4.536 4.120 0.000 0.000 0.295 158 V C -2.460 173.595 176.094 -0.065 0.000 1.026 158 V CA -1.990 60.225 62.300 -0.142 0.000 0.856 158 V CB 1.577 33.310 31.823 -0.150 0.000 1.001 158 V HN 0.743 nan 8.190 nan 0.000 0.424 159 P HA -0.031 nan 4.420 nan 0.000 0.264 159 P C 0.214 177.501 177.300 -0.022 0.000 1.183 159 P CA 0.184 63.225 63.100 -0.098 0.000 0.763 159 P CB 0.201 31.797 31.700 -0.174 0.000 0.807 160 Y N 2.773 123.131 120.300 0.096 0.000 2.509 160 Y HA -0.102 4.448 4.550 0.000 0.000 0.293 160 Y C 1.396 177.432 175.900 0.226 0.000 1.133 160 Y CA 1.044 59.302 58.100 0.262 0.000 1.283 160 Y CB -1.228 37.391 38.460 0.264 0.000 1.001 160 Y HN 0.276 nan 8.280 nan 0.000 0.555 161 D N -0.460 119.896 120.400 -0.072 0.000 2.347 161 D HA -0.147 4.493 4.640 0.000 0.000 0.215 161 D C 0.739 177.046 176.300 0.010 0.000 0.976 161 D CA 0.763 54.769 54.000 0.010 0.000 0.884 161 D CB -0.365 40.335 40.800 -0.167 0.000 0.915 161 D HN 0.340 nan 8.370 nan 0.000 0.526 162 D N 0.450 120.767 120.400 -0.138 0.000 2.178 162 D HA -0.102 4.538 4.640 0.000 0.000 0.202 162 D C 1.586 177.801 176.300 -0.142 0.000 0.974 162 D CA 0.641 54.496 54.000 -0.242 0.000 0.841 162 D CB -0.505 40.006 40.800 -0.480 0.000 0.953 162 D HN 0.435 nan 8.370 nan 0.000 0.478 163 W N 1.159 122.571 121.300 0.187 0.000 2.388 163 W HA -0.078 4.582 4.660 0.000 0.000 0.294 163 W C 1.662 178.309 176.519 0.213 0.000 1.212 163 W CA 0.376 57.872 57.345 0.252 0.000 1.271 163 W CB -0.007 29.670 29.460 0.362 0.000 1.126 163 W HN -0.125 nan 8.180 nan 0.000 0.535 164 D N -0.188 120.419 120.400 0.344 0.000 2.349 164 D HA -0.028 4.612 4.640 0.000 0.000 0.215 164 D C 0.847 177.236 176.300 0.149 0.000 1.016 164 D CA 0.688 54.819 54.000 0.218 0.000 0.870 164 D CB -0.167 40.738 40.800 0.176 0.000 0.917 164 D HN -0.083 nan 8.370 nan 0.000 0.524 165 K N 1.441 121.915 120.400 0.124 0.000 2.230 165 K HA 0.080 4.400 4.320 0.000 0.000 0.253 165 K C 0.082 176.737 176.600 0.092 0.000 1.008 165 K CA -0.304 56.030 56.287 0.078 0.000 0.910 165 K CB 0.403 32.925 32.500 0.036 0.000 0.994 165 K HN -0.066 nan 8.250 nan 0.000 0.495 166 D N 0.643 121.086 120.400 0.072 0.000 2.425 166 D HA 0.135 4.775 4.640 0.000 0.000 0.247 166 D C 0.092 176.440 176.300 0.079 0.000 1.147 166 D CA 0.178 54.224 54.000 0.077 0.000 0.879 166 D CB 0.646 41.482 40.800 0.059 0.000 1.179 166 D HN 0.455 nan 8.370 nan 0.000 0.456 167 A N 2.032 124.912 122.820 0.101 0.000 2.332 167 A HA 0.176 4.496 4.320 0.000 0.000 0.258 167 A C 0.263 177.894 177.584 0.078 0.000 1.087 167 A CA -0.544 51.554 52.037 0.102 0.000 0.802 167 A CB 0.429 19.514 19.000 0.141 0.000 1.042 167 A HN 0.484 nan 8.150 nan 0.000 0.489 168 D N 1.017 121.455 120.400 0.063 0.000 2.371 168 D HA 0.231 4.871 4.640 0.000 0.000 0.256 168 D C -1.643 174.690 176.300 0.054 0.000 1.193 168 D CA -1.631 52.397 54.000 0.046 0.000 0.881 168 D CB 0.991 41.806 40.800 0.026 0.000 1.143 168 D HN 0.101 nan 8.370 nan 0.000 0.473 169 P HA -0.117 nan 4.420 nan 0.000 0.221 169 P C 0.914 178.288 177.300 0.123 0.000 1.145 169 P CA 0.811 63.968 63.100 0.095 0.000 0.795 169 P CB 0.258 32.011 31.700 0.087 0.000 0.775 170 Q N -1.065 118.769 119.800 0.058 0.000 2.482 170 Q HA 0.066 4.406 4.340 0.000 0.000 0.209 170 Q C 1.764 177.679 176.000 -0.143 0.000 0.961 170 Q CA 0.658 56.465 55.803 0.006 0.000 0.945 170 Q CB -0.591 28.159 28.738 0.019 0.000 1.012 170 Q HN 0.261 nan 8.270 nan 0.000 0.515 171 S N 0.472 116.093 115.700 -0.130 0.000 2.474 171 S HA -0.117 4.353 4.470 0.000 0.000 0.235 171 S C 1.587 175.858 174.600 -0.549 0.000 0.997 171 S CA 0.638 58.708 58.200 -0.217 0.000 0.949 171 S CB -0.313 62.836 63.200 -0.085 0.000 0.766 171 S HN 0.610 nan 8.310 nan 0.000 0.517 172 H N 0.519 119.236 119.070 -0.588 0.000 2.489 172 H HA -0.088 4.468 4.556 0.000 0.000 0.295 172 H C 1.268 176.171 175.328 -0.708 0.000 1.082 172 H CA 1.393 56.823 56.048 -1.031 0.000 1.295 172 H CB -0.636 28.841 29.762 -0.475 0.000 1.380 172 H HN 0.521 nan 8.280 nan 0.000 0.548 173 H N 0.821 119.401 119.070 -0.817 0.000 2.546 173 H HA 0.032 4.588 4.556 0.000 0.000 0.277 173 H C 2.349 177.543 175.328 -0.224 0.000 1.004 173 H CA 0.803 56.583 56.048 -0.446 0.000 1.231 173 H CB 0.378 29.884 29.762 -0.427 0.000 1.382 173 H HN 0.406 nan 8.280 nan 0.000 0.580 174 L N -0.556 120.569 121.223 -0.164 0.000 2.240 174 L HA -0.103 4.237 4.340 0.000 0.000 0.211 174 L C 2.105 179.082 176.870 0.180 0.000 1.106 174 L CA 0.360 55.216 54.840 0.026 0.000 0.793 174 L CB -0.430 41.664 42.059 0.060 0.000 0.927 174 L HN 0.052 nan 8.230 nan 0.000 0.446 175 F N 0.674 120.695 119.950 0.119 0.000 2.095 175 F HA -0.221 4.306 4.527 0.000 0.000 0.298 175 F C 1.862 177.736 175.800 0.122 0.000 1.104 175 F CA 1.104 59.175 58.000 0.119 0.000 1.232 175 F CB -0.600 38.467 39.000 0.111 0.000 0.987 175 F HN 0.148 nan 8.300 nan 0.000 0.475 176 D N -0.432 120.156 120.400 0.313 0.000 2.424 176 D HA 0.066 4.706 4.640 0.000 0.000 0.220 176 D C 0.311 176.728 176.300 0.196 0.000 1.150 176 D CA -0.060 54.075 54.000 0.225 0.000 0.831 176 D CB -0.058 40.854 40.800 0.185 0.000 0.981 176 D HN 0.118 nan 8.370 nan 0.000 0.500 177 R N 1.108 121.726 120.500 0.196 0.000 2.538 177 R HA 0.031 4.371 4.340 0.000 0.000 0.282 177 R C 0.440 176.830 176.300 0.150 0.000 1.009 177 R CA 0.360 56.539 56.100 0.132 0.000 1.063 177 R CB 0.514 30.857 30.300 0.072 0.000 0.945 177 R HN 0.185 nan 8.270 nan 0.000 0.414 178 H N 3.045 122.126 119.070 0.018 0.000 2.481 178 H HA 0.306 4.862 4.556 0.000 0.000 0.333 178 H C -1.303 173.986 175.328 -0.064 0.000 1.066 178 H CA -0.595 55.462 56.048 0.015 0.000 1.209 178 H CB 1.148 30.924 29.762 0.024 0.000 1.445 178 H HN 0.208 nan 8.280 nan 0.000 0.488 179 V N 4.543 124.163 119.914 -0.489 0.000 2.444 179 V HA 0.176 4.296 4.120 0.000 0.000 0.294 179 V C 0.084 175.980 176.094 -0.331 0.000 1.022 179 V CA -0.627 61.467 62.300 -0.343 0.000 0.850 179 V CB 1.521 33.088 31.823 -0.427 0.000 0.992 179 V HN 0.758 nan 8.190 nan 0.000 0.426 180 S N 2.800 118.418 115.700 -0.138 0.000 2.501 180 S HA 0.572 5.043 4.470 0.000 0.000 0.301 180 S C 0.540 175.119 174.600 -0.036 0.000 1.096 180 S CA 0.008 58.178 58.200 -0.050 0.000 1.063 180 S CB 1.613 64.876 63.200 0.104 0.000 1.042 180 S HN 0.955 nan 8.310 nan 0.000 0.494 181 S N 2.265 117.947 115.700 -0.031 0.000 2.843 181 S HA 0.220 4.690 4.470 0.000 0.000 0.249 181 S C 0.133 174.723 174.600 -0.016 0.000 1.047 181 S CA -0.469 57.714 58.200 -0.029 0.000 1.042 181 S CB 0.303 63.477 63.200 -0.044 0.000 0.936 181 S HN 0.482 nan 8.310 nan 0.000 0.531 182 S N 2.672 118.375 115.700 0.004 0.000 3.530 182 S HA 0.466 4.936 4.470 0.000 0.000 0.279 182 S C 0.114 174.717 174.600 0.006 0.000 1.280 182 S CA -0.372 57.834 58.200 0.009 0.000 0.946 182 S CB -0.984 62.234 63.200 0.030 0.000 1.501 182 S HN 0.697 nan 8.310 nan 0.000 0.498 183 V N 2.989 122.900 119.914 -0.005 0.000 2.914 183 V HA 0.987 5.107 4.120 0.000 0.000 0.314 183 V C -0.778 175.312 176.094 -0.008 0.000 1.084 183 V CA -1.375 60.921 62.300 -0.006 0.000 0.963 183 V CB 1.955 33.771 31.823 -0.012 0.000 1.025 183 V HN 0.736 nan 8.190 nan 0.000 0.432 184 R N 2.324 122.820 120.500 -0.007 0.000 2.817 184 R HA 0.778 5.118 4.340 0.000 0.000 0.268 184 R C -1.018 175.278 176.300 -0.007 0.000 1.027 184 R CA -1.012 55.084 56.100 -0.007 0.000 0.928 184 R CB 0.690 30.989 30.300 -0.003 0.000 1.228 184 R HN 0.811 nan 8.270 nan 0.000 0.469 185 L N 2.201 123.420 121.223 -0.008 0.000 2.525 185 L HA 0.163 4.503 4.340 0.000 0.000 0.278 185 L C -0.391 176.475 176.870 -0.005 0.000 1.218 185 L CA 0.395 55.231 54.840 -0.008 0.000 0.878 185 L CB -0.173 41.882 42.059 -0.008 0.000 1.127 185 L HN 0.899 nan 8.230 nan 0.000 0.492 186 N N 2.142 120.839 118.700 -0.006 0.000 2.265 186 N HA -0.102 4.638 4.740 0.000 0.000 0.231 186 N C 0.421 175.929 175.510 -0.003 0.000 1.266 186 N CA 0.351 53.399 53.050 -0.004 0.000 0.862 186 N CB 0.235 38.719 38.487 -0.005 0.000 1.100 186 N HN 0.612 nan 8.380 nan 0.000 0.439 187 D N -0.198 120.201 120.400 -0.002 0.000 2.104 187 D HA -0.243 4.397 4.640 0.000 0.000 0.194 187 D C 1.600 177.900 176.300 -0.001 0.000 0.994 187 D CA 1.478 55.478 54.000 -0.001 0.000 0.830 187 D CB -0.371 40.429 40.800 -0.001 0.000 0.959 187 D HN 0.831 nan 8.370 nan 0.000 0.452 188 Q N 0.320 120.119 119.800 -0.001 0.000 2.050 188 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 188 Q C 1.187 177.186 176.000 -0.001 0.000 0.980 188 Q CA 1.584 57.386 55.803 -0.001 0.000 0.840 188 Q CB 0.151 28.888 28.738 -0.002 0.000 0.898 188 Q HN 0.125 nan 8.270 nan 0.000 0.424 189 D N 0.297 120.695 120.400 -0.003 0.000 2.183 189 D HA -0.119 4.521 4.640 0.000 0.000 0.203 189 D C 1.882 178.181 176.300 -0.002 0.000 0.969 189 D CA 0.462 54.460 54.000 -0.003 0.000 0.842 189 D CB -0.114 40.683 40.800 -0.005 0.000 0.957 189 D HN 0.229 nan 8.370 nan 0.000 0.484 190 L N 1.359 122.581 121.223 -0.002 0.000 2.046 190 L HA -0.160 4.180 4.340 0.000 0.000 0.208 190 L C 1.393 178.264 176.870 0.002 0.000 1.077 190 L CA 1.821 56.661 54.840 -0.000 0.000 0.747 190 L CB -0.454 41.605 42.059 0.000 0.000 0.896 190 L HN -0.175 nan 8.230 nan 0.000 0.432 191 D N -0.416 119.985 120.400 0.002 0.000 2.144 191 D HA -0.188 4.452 4.640 0.000 0.000 0.199 191 D C 2.335 178.637 176.300 0.003 0.000 0.984 191 D CA 1.685 55.687 54.000 0.003 0.000 0.834 191 D CB -0.118 40.684 40.800 0.003 0.000 0.955 191 D HN 0.435 nan 8.370 nan 0.000 0.465 192 I N 0.276 120.848 120.570 0.002 0.000 2.226 192 I HA -0.232 3.938 4.170 0.000 0.000 0.245 192 I C 2.294 178.413 176.117 0.003 0.000 1.100 192 I CA 0.448 61.750 61.300 0.002 0.000 1.374 192 I CB -0.084 37.916 38.000 0.000 0.000 1.057 192 I HN 0.020 nan 8.210 nan 0.000 0.413 193 L N 0.494 121.718 121.223 0.002 0.000 2.017 193 L HA -0.143 4.197 4.340 0.000 0.000 0.208 193 L C 2.402 179.276 176.870 0.007 0.000 1.073 193 L CA 1.800 56.642 54.840 0.003 0.000 0.745 193 L CB -0.591 41.469 42.059 0.001 0.000 0.894 193 L HN -0.025 nan 8.230 nan 0.000 0.432 194 V N -0.080 119.838 119.914 0.007 0.000 2.332 194 V HA -0.331 3.789 4.120 0.000 0.000 0.248 194 V C 2.611 178.711 176.094 0.011 0.000 1.055 194 V CA 2.198 64.504 62.300 0.010 0.000 1.038 194 V CB -0.717 31.112 31.823 0.009 0.000 0.651 194 V HN 0.480 nan 8.190 nan 0.000 0.450 195 K N 0.095 120.501 120.400 0.009 0.000 2.097 195 K HA -0.085 4.235 4.320 0.000 0.000 0.205 195 K C 2.283 178.890 176.600 0.012 0.000 1.050 195 K CA 1.357 57.650 56.287 0.010 0.000 0.938 195 K CB -0.380 32.125 32.500 0.008 0.000 0.718 195 K HN 0.489 nan 8.250 nan 0.000 0.442 196 A N 1.385 124.212 122.820 0.011 0.000 1.898 196 A HA -0.111 4.209 4.320 0.000 0.000 0.216 196 A C 2.105 179.700 177.584 0.018 0.000 1.181 196 A CA 1.153 53.198 52.037 0.013 0.000 0.620 196 A CB -0.584 18.423 19.000 0.011 0.000 0.819 196 A HN 0.133 nan 8.150 nan 0.000 0.442 197 L N -0.249 120.985 121.223 0.018 0.000 2.017 197 L HA -0.210 4.130 4.340 0.000 0.000 0.208 197 L C 2.259 179.144 176.870 0.024 0.000 1.073 197 L CA 1.322 56.175 54.840 0.022 0.000 0.745 197 L CB -0.769 41.302 42.059 0.020 0.000 0.894 197 L HN 0.334 nan 8.230 nan 0.000 0.432 198 N N -0.288 118.424 118.700 0.020 0.000 2.205 198 N HA -0.145 4.595 4.740 0.000 0.000 0.186 198 N C 1.874 177.397 175.510 0.021 0.000 1.015 198 N CA 1.485 54.547 53.050 0.020 0.000 0.862 198 N CB -0.218 38.279 38.487 0.016 0.000 0.986 198 N HN 0.202 nan 8.380 nan 0.000 0.429 199 S N -0.096 115.616 115.700 0.020 0.000 2.558 199 S HA 0.257 4.727 4.470 0.000 0.000 0.217 199 S C 0.776 175.390 174.600 0.024 0.000 0.975 199 S CA -0.304 57.908 58.200 0.019 0.000 0.912 199 S CB 0.152 63.362 63.200 0.016 0.000 0.776 199 S HN 0.422 nan 8.310 nan 0.000 0.526 200 A N 1.932 124.770 122.820 0.029 0.000 2.477 200 A HA 0.342 4.662 4.320 0.000 0.000 0.246 200 A C 1.330 178.939 177.584 0.041 0.000 1.078 200 A CA 0.022 52.081 52.037 0.038 0.000 0.770 200 A CB 0.209 19.237 19.000 0.047 0.000 1.011 200 A HN 0.399 nan 8.150 nan 0.000 0.494 201 S N 1.087 116.811 115.700 0.040 0.000 2.478 201 S HA 0.025 4.495 4.470 0.000 0.000 0.222 201 S C 0.648 175.277 174.600 0.049 0.000 1.008 201 S CA 0.817 59.038 58.200 0.035 0.000 0.928 201 S CB -0.102 63.112 63.200 0.023 0.000 0.781 201 S HN 0.767 nan 8.310 nan 0.000 0.518 202 N N 1.939 120.685 118.700 0.076 0.000 2.673 202 N HA 0.360 5.100 4.740 0.000 0.000 0.265 202 N C -3.289 172.385 175.510 0.273 0.000 1.709 202 N CA -1.668 51.461 53.050 0.130 0.000 0.792 202 N CB 1.263 39.774 38.487 0.040 0.000 1.286 202 N HN 0.123 nan 8.380 nan 0.000 0.506 203 P HA 0.310 nan 4.420 nan 0.000 0.272 203 P C -0.941 176.410 177.300 0.085 0.000 1.223 203 P CA -0.280 62.901 63.100 0.134 0.000 0.784 203 P CB 1.436 33.179 31.700 0.071 0.000 0.923 204 A N 3.028 125.818 122.820 -0.050 0.000 2.380 204 A HA 0.773 5.093 4.320 0.000 0.000 0.315 204 A C -0.623 176.940 177.584 -0.035 0.000 1.101 204 A CA -0.884 51.053 52.037 -0.165 0.000 0.771 204 A CB 1.008 19.756 19.000 -0.419 0.000 1.287 204 A HN 0.466 nan 8.150 nan 0.000 0.436 205 I N 1.064 121.626 120.570 -0.014 0.000 2.509 205 I HA 0.504 4.674 4.170 0.000 0.000 0.293 205 I C -1.003 175.136 176.117 0.036 0.000 1.020 205 I CA -0.905 60.387 61.300 -0.014 0.000 1.088 205 I CB 2.244 40.197 38.000 -0.077 0.000 1.267 205 I HN 0.320 nan 8.210 nan 0.000 0.430 206 V N 6.898 126.840 119.914 0.047 0.000 2.531 206 V HA 0.502 4.622 4.120 0.000 0.000 0.301 206 V C -0.320 175.808 176.094 0.055 0.000 1.034 206 V CA -0.532 61.808 62.300 0.067 0.000 0.865 206 V CB 1.942 33.825 31.823 0.100 0.000 0.995 206 V HN 0.457 nan 8.190 nan 0.000 0.424 207 L N 3.771 125.018 121.223 0.041 0.000 2.362 207 L HA 0.896 5.236 4.340 0.000 0.000 0.271 207 L C 0.637 177.553 176.870 0.078 0.000 1.002 207 L CA -0.305 54.572 54.840 0.063 0.000 0.818 207 L CB 2.142 44.246 42.059 0.075 0.000 1.298 207 L HN 0.777 nan 8.230 nan 0.000 0.420 208 G N 0.945 109.795 108.800 0.085 0.000 3.075 208 G HA2 0.535 4.495 3.960 0.000 0.000 0.253 208 G HA3 0.535 4.495 3.960 0.000 0.000 0.253 208 G C -2.235 172.727 174.900 0.103 0.000 1.353 208 G CA -0.806 44.347 45.100 0.088 0.000 1.051 208 G HN 0.402 nan 8.290 nan 0.000 0.553 209 P HA 0.005 nan 4.420 nan 0.000 0.225 209 P C 0.530 177.896 177.300 0.110 0.000 1.156 209 P CA 0.833 64.001 63.100 0.113 0.000 0.787 209 P CB 0.338 32.097 31.700 0.098 0.000 0.802 210 D N -0.223 120.243 120.400 0.109 0.000 2.310 210 D HA -0.062 4.578 4.640 0.000 0.000 0.212 210 D C 1.991 178.334 176.300 0.072 0.000 0.965 210 D CA 0.586 54.646 54.000 0.100 0.000 0.879 210 D CB -0.229 40.629 40.800 0.096 0.000 0.921 210 D HN 0.059 nan 8.370 nan 0.000 0.510 211 V N 1.112 121.073 119.914 0.078 0.000 2.270 211 V HA -0.238 3.882 4.120 0.000 0.000 0.245 211 V C 2.205 178.342 176.094 0.072 0.000 1.043 211 V CA 1.872 64.217 62.300 0.074 0.000 1.014 211 V CB -0.350 31.530 31.823 0.095 0.000 0.645 211 V HN 0.066 nan 8.190 nan 0.000 0.447 212 D N -0.010 120.440 120.400 0.083 0.000 2.144 212 D HA -0.122 4.518 4.640 0.000 0.000 0.199 212 D C 2.110 178.454 176.300 0.073 0.000 0.984 212 D CA 1.372 55.413 54.000 0.069 0.000 0.834 212 D CB -0.159 40.678 40.800 0.062 0.000 0.955 212 D HN 0.360 nan 8.370 nan 0.000 0.465 213 A N 0.371 123.243 122.820 0.087 0.000 1.940 213 A HA -0.033 4.287 4.320 0.000 0.000 0.219 213 A C 2.249 179.866 177.584 0.056 0.000 1.176 213 A CA 2.037 54.125 52.037 0.085 0.000 0.631 213 A CB -0.881 18.176 19.000 0.094 0.000 0.814 213 A HN 0.312 nan 8.150 nan 0.000 0.446 214 A N -1.233 121.615 122.820 0.046 0.000 2.238 214 A HA 0.178 4.498 4.320 0.000 0.000 0.208 214 A C 1.022 178.623 177.584 0.028 0.000 1.177 214 A CA 0.919 52.975 52.037 0.031 0.000 0.804 214 A CB -0.588 18.427 19.000 0.025 0.000 0.823 214 A HN 0.734 nan 8.150 nan 0.000 0.482 215 N N -2.157 116.562 118.700 0.032 0.000 2.721 215 N HA -0.239 4.501 4.740 0.000 0.000 0.249 215 N C 0.508 176.028 175.510 0.016 0.000 1.072 215 N CA 1.030 54.093 53.050 0.021 0.000 0.710 215 N CB -1.368 37.127 38.487 0.014 0.000 0.993 215 N HN 0.570 nan 8.380 nan 0.000 0.547 216 A N -0.827 122.009 122.820 0.026 0.000 2.307 216 A HA 0.157 4.477 4.320 0.000 0.000 0.218 216 A C 1.678 179.279 177.584 0.029 0.000 1.228 216 A CA 0.549 52.602 52.037 0.027 0.000 0.857 216 A CB -0.095 18.926 19.000 0.035 0.000 0.897 216 A HN 0.523 nan 8.150 nan 0.000 0.495 217 N N 1.677 120.388 118.700 0.019 0.000 2.069 217 N HA -0.166 4.574 4.740 0.000 0.000 0.191 217 N C 1.743 177.216 175.510 -0.062 0.000 1.031 217 N CA 1.849 54.900 53.050 0.001 0.000 0.852 217 N CB -0.432 38.033 38.487 -0.036 0.000 1.018 217 N HN 0.456 nan 8.380 nan 0.000 0.423 218 A N 0.808 123.588 122.820 -0.068 0.000 1.930 218 A HA -0.107 4.213 4.320 0.000 0.000 0.217 218 A C 1.632 179.187 177.584 -0.049 0.000 1.175 218 A CA 1.399 53.382 52.037 -0.090 0.000 0.627 218 A CB -0.361 18.601 19.000 -0.063 0.000 0.815 218 A HN 0.109 nan 8.150 nan 0.000 0.443 219 D N -0.336 120.057 120.400 -0.012 0.000 2.144 219 D HA -0.121 4.519 4.640 0.000 0.000 0.199 219 D C 1.953 178.275 176.300 0.037 0.000 0.984 219 D CA 1.356 55.363 54.000 0.011 0.000 0.834 219 D CB -0.499 40.311 40.800 0.017 0.000 0.955 219 D HN 0.447 nan 8.370 nan 0.000 0.465 220 C N 0.248 119.589 119.300 0.068 0.000 2.435 220 C HA -0.030 4.430 4.460 0.000 0.000 0.279 220 C C 2.912 178.044 174.990 0.236 0.000 1.321 220 C CA -0.038 59.073 59.018 0.154 0.000 1.752 220 C CB -0.710 27.168 27.740 0.230 0.000 1.959 220 C HN 0.163 nan 8.230 nan 0.000 0.500 221 V N 1.001 120.950 119.914 0.059 0.000 2.295 221 V HA -0.331 3.789 4.120 0.000 0.000 0.246 221 V C 2.465 178.564 176.094 0.008 0.000 1.049 221 V CA 2.389 64.619 62.300 -0.116 0.000 1.024 221 V CB -0.708 30.854 31.823 -0.436 0.000 0.648 221 V HN 0.612 nan 8.190 nan 0.000 0.447 222 M N -0.495 119.111 119.600 0.009 0.000 2.080 222 M HA -0.229 4.251 4.480 0.000 0.000 0.260 222 M C 2.148 178.481 176.300 0.055 0.000 1.068 222 M CA 2.135 57.456 55.300 0.035 0.000 1.109 222 M CB -0.244 32.369 32.600 0.021 0.000 1.342 222 M HN 0.371 nan 8.290 nan 0.000 0.405 223 L N 0.855 122.114 121.223 0.061 0.000 2.012 223 L HA -0.117 4.223 4.340 0.000 0.000 0.210 223 L C 2.462 179.371 176.870 0.064 0.000 1.073 223 L CA 2.363 57.238 54.840 0.058 0.000 0.748 223 L CB -0.974 41.118 42.059 0.055 0.000 0.891 223 L HN 0.362 nan 8.230 nan 0.000 0.431 224 A N -1.141 121.733 122.820 0.091 0.000 1.969 224 A HA -0.174 4.146 4.320 0.000 0.000 0.218 224 A C 2.143 179.791 177.584 0.107 0.000 1.169 224 A CA 1.559 53.642 52.037 0.076 0.000 0.635 224 A CB -0.542 18.505 19.000 0.079 0.000 0.810 224 A HN 0.618 nan 8.150 nan 0.000 0.445 225 E N -0.486 119.793 120.200 0.132 0.000 2.072 225 E HA -0.142 4.208 4.350 0.000 0.000 0.191 225 E C 2.337 178.989 176.600 0.086 0.000 0.985 225 E CA 0.772 57.255 56.400 0.138 0.000 0.801 225 E CB -0.144 29.646 29.700 0.150 0.000 0.750 225 E HN 0.424 nan 8.360 nan 0.000 0.452 226 R N 0.528 121.068 120.500 0.067 0.000 2.073 226 R HA -0.070 4.270 4.340 0.000 0.000 0.234 226 R C 2.369 178.696 176.300 0.045 0.000 1.134 226 R CA 0.919 57.048 56.100 0.049 0.000 0.952 226 R CB -0.443 29.881 30.300 0.040 0.000 0.850 226 R HN 0.242 nan 8.270 nan 0.000 0.433 227 L N 1.263 122.513 121.223 0.046 0.000 2.552 227 L HA -0.007 4.333 4.340 0.000 0.000 0.227 227 L C 0.216 177.113 176.870 0.045 0.000 1.146 227 L CA 0.337 55.201 54.840 0.041 0.000 0.858 227 L CB -0.190 41.890 42.059 0.035 0.000 0.969 227 L HN 0.096 nan 8.230 nan 0.000 0.451 228 K N -0.231 120.200 120.400 0.053 0.000 3.148 228 K HA -0.178 4.142 4.320 0.000 0.000 0.267 228 K C -0.043 176.583 176.600 0.044 0.000 0.996 228 K CA 0.861 57.180 56.287 0.054 0.000 0.737 228 K CB -1.914 30.613 32.500 0.046 0.000 1.308 228 K HN 0.352 nan 8.250 nan 0.000 0.470 229 A N 1.008 123.846 122.820 0.029 0.000 2.350 229 A HA 0.682 5.002 4.320 0.000 0.000 0.324 229 A C -2.217 175.316 177.584 -0.084 0.000 1.118 229 A CA -1.553 50.481 52.037 -0.005 0.000 0.783 229 A CB 1.177 20.171 19.000 -0.010 0.000 1.236 229 A HN -0.041 nan 8.150 nan 0.000 0.457 230 P HA 0.268 nan 4.420 nan 0.000 0.269 230 P C -0.698 176.303 177.300 -0.497 0.000 1.209 230 P CA 0.051 62.910 63.100 -0.401 0.000 0.776 230 P CB 0.878 32.233 31.700 -0.576 0.000 0.876 231 V N 3.587 123.090 119.914 -0.685 0.000 2.483 231 V HA 0.335 4.455 4.120 0.000 0.000 0.297 231 V C -0.204 175.447 176.094 -0.738 0.000 1.027 231 V CA -0.476 61.445 62.300 -0.631 0.000 0.855 231 V CB 1.599 32.847 31.823 -0.959 0.000 0.995 231 V HN 0.592 nan 8.190 nan 0.000 0.424 232 W N 3.026 124.075 121.300 -0.418 0.000 2.578 232 W HA 0.644 5.304 4.660 0.000 0.000 0.346 232 W C -0.593 175.728 176.519 -0.331 0.000 1.075 232 W CA -0.717 56.355 57.345 -0.455 0.000 1.233 232 W CB 2.123 31.347 29.460 -0.394 0.000 1.358 232 W HN 0.259 nan 8.180 nan 0.000 0.574 233 V N 2.597 122.437 119.914 -0.123 0.000 2.432 233 V HA 0.310 4.430 4.120 0.000 0.000 0.275 233 V C 0.746 176.742 176.094 -0.164 0.000 1.043 233 V CA -0.856 61.374 62.300 -0.116 0.000 0.925 233 V CB 0.306 31.974 31.823 -0.259 0.000 0.985 233 V HN 0.585 nan 8.190 nan 0.000 0.466 234 A N 8.581 131.348 122.820 -0.089 0.000 2.507 234 A HA 0.397 4.717 4.320 0.000 0.000 0.235 234 A C -1.788 175.705 177.584 -0.153 0.000 1.070 234 A CA -0.647 51.320 52.037 -0.117 0.000 0.768 234 A CB -0.400 18.633 19.000 0.055 0.000 1.011 234 A HN 0.711 nan 8.150 nan 0.000 0.502 235 P HA 0.134 nan 4.420 nan 0.000 0.272 235 P C -0.128 177.140 177.300 -0.053 0.000 1.230 235 P CA 0.419 63.431 63.100 -0.147 0.000 0.788 235 P CB 0.568 32.173 31.700 -0.157 0.000 0.949 236 S N -2.135 113.561 115.700 -0.008 0.000 3.749 236 S HA -0.136 4.334 4.470 0.000 0.000 0.348 236 S C 0.507 175.137 174.600 0.050 0.000 1.045 236 S CA 0.644 58.851 58.200 0.012 0.000 1.051 236 S CB -2.185 61.001 63.200 -0.024 0.000 0.898 236 S HN 0.936 nan 8.310 nan 0.000 0.472 237 A N 0.988 123.899 122.820 0.151 0.000 2.451 237 A HA 0.523 4.843 4.320 0.000 0.000 0.266 237 A C -0.699 177.132 177.584 0.412 0.000 1.119 237 A CA -1.064 51.122 52.037 0.248 0.000 0.786 237 A CB 0.212 19.376 19.000 0.274 0.000 1.061 237 A HN 0.267 nan 8.150 nan 0.000 0.503 238 P HA 0.103 nan 4.420 nan 0.000 0.245 238 P C 0.182 177.667 177.300 0.308 0.000 1.203 238 P CA 0.686 63.927 63.100 0.236 0.000 0.792 238 P CB 0.405 32.134 31.700 0.048 0.000 0.997 239 R N -2.051 118.659 120.500 0.349 0.000 2.817 239 R HA 0.577 4.917 4.340 0.000 0.000 0.268 239 R C -1.342 175.191 176.300 0.388 0.000 1.027 239 R CA -0.796 55.450 56.100 0.244 0.000 0.928 239 R CB 1.328 31.676 30.300 0.080 0.000 1.228 239 R HN -0.124 nan 8.270 nan 0.000 0.469 240 C N 2.874 122.314 119.300 0.233 0.000 2.281 240 C HA 0.528 4.988 4.460 0.000 0.000 0.323 240 C C -1.732 173.363 174.990 0.175 0.000 1.270 240 C CA -1.964 57.220 59.018 0.277 0.000 1.559 240 C CB 0.752 28.488 27.740 -0.006 0.000 2.239 240 C HN 0.632 nan 8.230 nan 0.000 0.488 241 P HA 0.223 nan 4.420 nan 0.000 0.268 241 P C -0.335 177.115 177.300 0.250 0.000 1.329 241 P CA 0.267 63.482 63.100 0.192 0.000 0.899 241 P CB 0.036 31.855 31.700 0.200 0.000 1.378 242 F N 1.369 121.308 119.950 -0.019 0.000 2.688 242 F HA 0.426 4.953 4.527 0.000 0.000 0.308 242 F C -2.648 172.995 175.800 -0.263 0.000 1.117 242 F CA -2.259 55.680 58.000 -0.103 0.000 0.976 242 F CB 1.883 40.877 39.000 -0.010 0.000 1.291 242 F HN -0.345 nan 8.300 nan 0.000 0.439 243 P HA 0.084 nan 4.420 nan 0.000 0.267 243 P C 0.370 177.460 177.300 -0.350 0.000 1.209 243 P CA 0.200 63.104 63.100 -0.327 0.000 0.763 243 P CB 0.639 32.159 31.700 -0.300 0.000 0.816 244 T N 0.270 114.566 114.554 -0.430 0.000 3.148 244 T HA 0.067 4.417 4.350 0.000 0.000 0.253 244 T C 1.054 175.684 174.700 -0.117 0.000 1.134 244 T CA 0.324 62.016 62.100 -0.681 0.000 1.051 244 T CB -0.242 68.382 68.868 -0.406 0.000 0.959 244 T HN 0.196 nan 8.240 nan 0.000 0.525 245 R N 0.376 120.859 120.500 -0.029 0.000 2.472 245 R HA 0.215 4.555 4.340 0.000 0.000 0.279 245 R C 0.364 176.722 176.300 0.098 0.000 0.953 245 R CA -0.348 55.789 56.100 0.062 0.000 1.088 245 R CB -0.414 29.896 30.300 0.017 0.000 1.197 245 R HN 0.583 nan 8.270 nan 0.000 0.536 246 H N 2.699 121.800 119.070 0.051 0.000 2.972 246 H HA 0.020 4.576 4.556 0.000 0.000 0.343 246 H C -1.507 173.922 175.328 0.168 0.000 1.054 246 H CA -0.923 55.184 56.048 0.098 0.000 1.412 246 H CB 1.586 31.425 29.762 0.127 0.000 1.385 246 H HN -0.183 nan 8.280 nan 0.000 0.600 247 P HA -0.112 nan 4.420 nan 0.000 0.219 247 P C 1.415 178.803 177.300 0.146 0.000 1.146 247 P CA 1.043 64.128 63.100 -0.025 0.000 0.808 247 P CB 0.029 31.645 31.700 -0.139 0.000 0.779 248 C N -2.670 116.894 119.300 0.440 0.000 2.468 248 C HA 0.092 4.552 4.460 0.000 0.000 0.277 248 C C 1.310 176.317 174.990 0.029 0.000 1.400 248 C CA -0.541 58.615 59.018 0.230 0.000 1.770 248 C CB -1.891 26.022 27.740 0.288 0.000 1.905 248 C HN 0.109 nan 8.230 nan 0.000 0.519 249 F N 2.046 122.033 119.950 0.062 0.000 2.538 249 F HA 0.185 4.712 4.527 0.000 0.000 0.371 249 F C 1.294 176.930 175.800 -0.273 0.000 1.087 249 F CA 0.309 58.237 58.000 -0.120 0.000 1.250 249 F CB 0.460 39.542 39.000 0.137 0.000 1.110 249 F HN -0.000 nan 8.300 nan 0.000 0.570 250 R N 3.676 123.453 120.500 -1.206 0.000 2.476 250 R HA 0.348 4.688 4.340 0.000 0.000 0.276 250 R C 0.602 176.276 176.300 -1.043 0.000 0.941 250 R CA 0.366 55.800 56.100 -1.109 0.000 1.088 250 R CB 0.034 29.350 30.300 -1.639 0.000 1.216 250 R HN 0.957 nan 8.270 nan 0.000 0.533 251 G N 1.231 109.020 108.800 -1.685 0.000 2.549 251 G HA2 -0.223 3.737 3.960 0.000 0.000 0.404 251 G HA3 -0.223 3.737 3.960 0.000 0.000 0.404 251 G C -1.294 173.221 174.900 -0.642 0.000 1.292 251 G CA -0.661 43.887 45.100 -0.921 0.000 0.935 251 G HN 0.120 nan 8.290 nan 0.000 0.512 252 L N 0.842 121.728 121.223 -0.563 0.000 2.360 252 L HA 0.702 5.042 4.340 0.000 0.000 0.276 252 L C 1.110 177.789 176.870 -0.317 0.000 1.121 252 L CA -0.125 54.338 54.840 -0.629 0.000 0.845 252 L CB 0.561 42.022 42.059 -0.997 0.000 1.143 252 L HN 0.620 nan 8.230 nan 0.000 0.452 253 M N 7.535 126.966 119.600 -0.282 0.000 2.238 253 M HA 0.254 4.734 4.480 0.000 0.000 0.347 253 M C -1.931 174.236 176.300 -0.222 0.000 1.173 253 M CA -1.512 53.615 55.300 -0.288 0.000 1.147 253 M CB 0.458 32.802 32.600 -0.428 0.000 1.547 253 M HN 0.498 nan 8.290 nan 0.000 0.455 254 P HA 0.065 nan 4.420 nan 0.000 0.268 254 P C -0.865 176.407 177.300 -0.047 0.000 1.205 254 P CA -0.134 62.918 63.100 -0.080 0.000 0.771 254 P CB 0.451 32.115 31.700 -0.060 0.000 0.858 255 A N 2.910 125.758 122.820 0.046 0.000 3.117 255 A HA 0.501 4.821 4.320 0.000 0.000 0.255 255 A C 0.837 178.569 177.584 0.245 0.000 1.583 255 A CA 0.013 52.133 52.037 0.139 0.000 1.234 255 A CB -1.185 17.926 19.000 0.186 0.000 1.076 255 A HN 0.646 nan 8.150 nan 0.000 0.653 256 G N -0.995 107.915 108.800 0.185 0.000 2.563 256 G HA2 0.495 4.455 3.960 0.000 0.000 0.302 256 G HA3 0.495 4.455 3.960 0.000 0.000 0.302 256 G C 0.549 175.428 174.900 -0.035 0.000 1.301 256 G CA -0.636 44.499 45.100 0.058 0.000 0.965 256 G HN 0.130 nan 8.290 nan 0.000 0.480 257 I N 1.175 121.495 120.570 -0.416 0.000 2.142 257 I HA -0.177 3.993 4.170 0.000 0.000 0.240 257 I C 3.042 179.038 176.117 -0.200 0.000 1.078 257 I CA 1.852 62.863 61.300 -0.483 0.000 1.343 257 I CB -0.023 37.561 38.000 -0.694 0.000 1.046 257 I HN 0.554 nan 8.210 nan 0.000 0.405 258 A N 0.468 123.152 122.820 -0.227 0.000 1.930 258 A HA -0.104 4.216 4.320 0.000 0.000 0.217 258 A C 2.512 180.028 177.584 -0.113 0.000 1.175 258 A CA 1.622 53.560 52.037 -0.165 0.000 0.627 258 A CB -0.870 18.026 19.000 -0.174 0.000 0.815 258 A HN 0.431 nan 8.150 nan 0.000 0.443 259 A N 0.011 122.770 122.820 -0.102 0.000 1.908 259 A HA -0.123 4.197 4.320 0.000 0.000 0.218 259 A C 2.113 179.620 177.584 -0.128 0.000 1.181 259 A CA 1.653 53.634 52.037 -0.093 0.000 0.627 259 A CB -0.578 18.380 19.000 -0.070 0.000 0.818 259 A HN 0.507 nan 8.150 nan 0.000 0.445 260 I N 0.451 120.952 120.570 -0.115 0.000 2.353 260 I HA -0.200 3.970 4.170 0.000 0.000 0.248 260 I C 2.807 178.832 176.117 -0.153 0.000 1.119 260 I CA 1.398 62.580 61.300 -0.196 0.000 1.417 260 I CB -0.212 37.657 38.000 -0.219 0.000 1.078 260 I HN 0.508 nan 8.210 nan 0.000 0.421 261 S N 0.230 115.895 115.700 -0.060 0.000 2.402 261 S HA -0.254 4.216 4.470 0.000 0.000 0.229 261 S C 1.909 176.469 174.600 -0.068 0.000 1.021 261 S CA 1.066 59.247 58.200 -0.033 0.000 0.974 261 S CB -0.386 62.811 63.200 -0.005 0.000 0.800 261 S HN 0.387 nan 8.310 nan 0.000 0.484 262 Q N 0.998 120.746 119.800 -0.086 0.000 2.046 262 Q HA 0.046 4.386 4.340 0.000 0.000 0.200 262 Q C 2.052 177.994 176.000 -0.097 0.000 0.975 262 Q CA 1.251 57.007 55.803 -0.079 0.000 0.836 262 Q CB -0.683 28.010 28.738 -0.075 0.000 0.896 262 Q HN 0.475 nan 8.270 nan 0.000 0.428 263 L N -0.130 120.995 121.223 -0.163 0.000 2.042 263 L HA -0.115 4.225 4.340 0.000 0.000 0.210 263 L C 1.779 178.514 176.870 -0.225 0.000 1.076 263 L CA 1.741 56.437 54.840 -0.240 0.000 0.749 263 L CB -0.349 41.439 42.059 -0.452 0.000 0.893 263 L HN 0.376 nan 8.230 nan 0.000 0.432 264 L N -0.870 120.226 121.223 -0.213 0.000 2.554 264 L HA 0.021 4.361 4.340 0.000 0.000 0.226 264 L C 0.991 177.896 176.870 0.059 0.000 1.137 264 L CA -0.209 54.590 54.840 -0.069 0.000 0.863 264 L CB -0.455 41.538 42.059 -0.109 0.000 0.985 264 L HN 0.288 nan 8.230 nan 0.000 0.451 265 E N 0.317 120.512 120.200 -0.008 0.000 2.442 265 E HA 0.089 4.439 4.350 0.000 0.000 0.262 265 E C 1.265 177.828 176.600 -0.062 0.000 1.004 265 E CA 0.836 57.224 56.400 -0.020 0.000 0.928 265 E CB 0.433 30.112 29.700 -0.035 0.000 0.937 265 E HN 0.272 nan 8.360 nan 0.000 0.446 266 G N 3.591 112.352 108.800 -0.066 0.000 2.284 266 G HA2 -0.272 3.688 3.960 0.000 0.000 0.261 266 G HA3 -0.272 3.688 3.960 0.000 0.000 0.261 266 G C -0.007 174.780 174.900 -0.188 0.000 0.997 266 G CA 0.396 45.419 45.100 -0.128 0.000 0.621 266 G HN 0.719 nan 8.290 nan 0.000 0.534 267 H N 1.755 120.835 119.070 0.017 0.000 2.668 267 H HA 0.259 4.815 4.556 0.000 0.000 0.303 267 H C 1.301 176.642 175.328 0.022 0.000 1.074 267 H CA 0.446 56.513 56.048 0.031 0.000 1.406 267 H CB 1.377 31.165 29.762 0.042 0.000 1.442 267 H HN 0.511 nan 8.280 nan 0.000 0.482 268 D N 2.361 122.838 120.400 0.128 0.000 2.194 268 D HA -0.059 4.581 4.640 0.000 0.000 0.204 268 D C 0.432 176.777 176.300 0.075 0.000 0.964 268 D CA 0.446 54.492 54.000 0.076 0.000 0.846 268 D CB 0.422 41.252 40.800 0.049 0.000 0.962 268 D HN 0.113 nan 8.370 nan 0.000 0.490 269 V N 1.163 121.130 119.914 0.089 0.000 2.577 269 V HA 0.331 4.451 4.120 0.000 0.000 0.303 269 V C -0.537 175.594 176.094 0.063 0.000 1.042 269 V CA -0.987 61.350 62.300 0.062 0.000 0.872 269 V CB 2.536 34.387 31.823 0.047 0.000 0.998 269 V HN -0.080 nan 8.190 nan 0.000 0.423 270 V N 5.994 125.936 119.914 0.047 0.000 2.357 270 V HA 0.461 4.581 4.120 0.000 0.000 0.284 270 V C -0.409 175.702 176.094 0.027 0.000 1.018 270 V CA -0.554 61.765 62.300 0.031 0.000 0.841 270 V CB 1.641 33.486 31.823 0.038 0.000 0.991 270 V HN 0.676 nan 8.190 nan 0.000 0.437 271 L N 7.435 128.671 121.223 0.022 0.000 2.272 271 L HA 0.643 4.983 4.340 0.000 0.000 0.289 271 L C -0.385 176.501 176.870 0.027 0.000 1.032 271 L CA 0.224 55.074 54.840 0.017 0.000 0.810 271 L CB 1.485 43.551 42.059 0.013 0.000 1.205 271 L HN 0.437 nan 8.230 nan 0.000 0.422 272 V N 6.832 126.759 119.914 0.021 0.000 2.435 272 V HA 0.493 4.613 4.120 0.000 0.000 0.290 272 V C 0.090 176.193 176.094 0.014 0.000 1.030 272 V CA -0.401 61.922 62.300 0.037 0.000 0.881 272 V CB 1.413 33.245 31.823 0.016 0.000 0.983 272 V HN 0.609 nan 8.190 nan 0.000 0.445 273 I N 3.465 124.054 120.570 0.031 0.000 2.447 273 I HA 0.620 4.790 4.170 0.000 0.000 0.287 273 I C 0.932 177.072 176.117 0.037 0.000 1.023 273 I CA -0.423 60.892 61.300 0.026 0.000 1.083 273 I CB 1.748 39.767 38.000 0.032 0.000 1.245 273 I HN 0.840 nan 8.210 nan 0.000 0.434 274 G N 4.367 113.183 108.800 0.026 0.000 2.176 274 G HA2 -0.035 3.925 3.960 0.000 0.000 0.252 274 G HA3 -0.035 3.925 3.960 0.000 0.000 0.252 274 G C -0.074 174.860 174.900 0.056 0.000 1.024 274 G CA 0.195 45.321 45.100 0.042 0.000 0.755 274 G HN 1.044 nan 8.290 nan 0.000 0.507 275 A N -0.733 122.109 122.820 0.037 0.000 2.556 275 A HA 0.965 5.285 4.320 0.000 0.000 0.294 275 A C -2.752 174.821 177.584 -0.018 0.000 1.091 275 A CA -1.392 50.666 52.037 0.035 0.000 0.704 275 A CB 1.846 20.892 19.000 0.078 0.000 1.300 275 A HN 0.104 nan 8.150 nan 0.000 0.406 276 P HA 0.365 nan 4.420 nan 0.000 0.272 276 P C -0.760 176.408 177.300 -0.220 0.000 1.230 276 P CA -0.188 62.853 63.100 -0.099 0.000 0.788 276 P CB 0.737 32.395 31.700 -0.070 0.000 0.949 277 V N 3.224 122.903 119.914 -0.392 0.000 2.275 277 V HA 0.351 4.471 4.120 0.000 0.000 0.272 277 V C -0.392 175.337 176.094 -0.608 0.000 1.028 277 V CA -0.020 61.734 62.300 -0.909 0.000 0.810 277 V CB -0.793 30.518 31.823 -0.853 0.000 1.043 277 V HN 0.372 nan 8.190 nan 0.000 0.453 278 F N 2.339 122.026 119.950 -0.439 0.000 2.618 278 F HA 0.620 5.147 4.527 0.000 0.000 0.332 278 F C 0.727 176.194 175.800 -0.555 0.000 1.061 278 F CA -1.414 56.222 58.000 -0.606 0.000 0.974 278 F CB 1.536 39.948 39.000 -0.980 0.000 1.310 278 F HN 0.184 nan 8.300 nan 0.000 0.491 279 R N 1.299 121.735 120.500 -0.107 0.000 4.792 279 R HA 0.186 4.526 4.340 0.000 0.000 0.205 279 R C -1.164 175.145 176.300 0.016 0.000 1.875 279 R CA -0.127 55.949 56.100 -0.039 0.000 1.588 279 R CB -1.515 28.774 30.300 -0.017 0.000 1.401 279 R HN 0.328 nan 8.270 nan 0.000 0.834 280 Y N -0.665 119.726 120.300 0.152 0.000 2.469 280 Y HA -0.000 4.550 4.550 0.000 0.000 0.353 280 Y C 1.605 177.604 175.900 0.165 0.000 1.269 280 Y CA 0.817 58.995 58.100 0.131 0.000 1.504 280 Y CB 0.288 38.826 38.460 0.130 0.000 1.369 280 Y HN 0.446 nan 8.280 nan 0.000 0.654 281 H N -1.199 118.012 119.070 0.234 0.000 1.985 281 H HA 0.131 4.688 4.556 0.000 0.000 0.159 281 H C -0.151 175.251 175.328 0.124 0.000 1.010 281 H CA 0.456 56.587 56.048 0.138 0.000 1.075 281 H CB 0.020 29.851 29.762 0.115 0.000 0.963 281 H HN 0.564 nan 8.280 nan 0.000 0.330 282 Q N 0.949 120.628 119.800 -0.201 0.000 2.454 282 Q HA -0.030 4.310 4.340 0.000 0.000 0.247 282 Q C -0.662 175.316 176.000 -0.037 0.000 1.028 282 Q CA -0.373 55.317 55.803 -0.189 0.000 0.910 282 Q CB 0.538 29.326 28.738 0.084 0.000 1.276 282 Q HN 0.518 nan 8.270 nan 0.000 0.489 283 Y N 1.546 121.763 120.300 -0.137 0.000 2.537 283 Y HA 0.137 4.687 4.550 0.000 0.000 0.339 283 Y C -0.748 175.101 175.900 -0.085 0.000 1.066 283 Y CA 0.140 58.175 58.100 -0.107 0.000 1.357 283 Y CB 0.495 38.897 38.460 -0.097 0.000 1.175 283 Y HN 0.789 nan 8.280 nan 0.000 0.525 284 D N 8.357 128.410 120.400 -0.578 0.000 3.285 284 D HA 0.203 4.843 4.640 0.000 0.000 0.273 284 D C -3.078 172.912 176.300 -0.518 0.000 1.295 284 D CA -1.445 52.299 54.000 -0.427 0.000 0.762 284 D CB 0.607 41.278 40.800 -0.215 0.000 1.379 284 D HN 0.242 nan 8.370 nan 0.000 0.612 285 P HA 0.487 nan 4.420 nan 0.000 0.269 285 P C 0.433 177.508 177.300 -0.375 0.000 1.209 285 P CA 0.309 63.076 63.100 -0.554 0.000 0.776 285 P CB 1.704 33.087 31.700 -0.528 0.000 0.876 286 G N 1.431 110.011 108.800 -0.366 0.000 2.356 286 G HA2 0.127 4.087 3.960 0.000 0.000 0.281 286 G HA3 0.127 4.087 3.960 0.000 0.000 0.281 286 G C -1.563 173.145 174.900 -0.321 0.000 1.246 286 G CA -0.682 44.251 45.100 -0.279 0.000 0.889 286 G HN 0.445 nan 8.290 nan 0.000 0.486 287 Q N -0.392 119.275 119.800 -0.220 0.000 2.314 287 Q HA 0.369 4.709 4.340 0.000 0.000 0.258 287 Q C 0.323 176.230 176.000 -0.156 0.000 0.954 287 Q CA -0.365 55.334 55.803 -0.174 0.000 0.890 287 Q CB 1.147 29.841 28.738 -0.073 0.000 1.210 287 Q HN 0.515 nan 8.270 nan 0.000 0.410 288 Y N 1.254 121.547 120.300 -0.012 0.000 2.242 288 Y HA -0.069 4.482 4.550 0.000 0.000 0.291 288 Y C 0.510 176.454 175.900 0.074 0.000 1.137 288 Y CA 0.927 59.055 58.100 0.047 0.000 1.181 288 Y CB 0.314 38.812 38.460 0.064 0.000 0.989 288 Y HN 0.392 nan 8.280 nan 0.000 0.527 289 L N -0.705 120.632 121.223 0.191 0.000 2.466 289 L HA 0.357 4.697 4.340 0.000 0.000 0.258 289 L C -0.605 176.300 176.870 0.058 0.000 0.973 289 L CA -1.114 53.794 54.840 0.114 0.000 0.826 289 L CB 2.644 44.768 42.059 0.110 0.000 1.372 289 L HN -0.274 nan 8.230 nan 0.000 0.409 290 K N 1.498 121.917 120.400 0.031 0.000 2.126 290 K HA 0.385 4.705 4.320 0.000 0.000 0.257 290 K C -2.388 174.222 176.600 0.017 0.000 1.007 290 K CA -1.551 54.742 56.287 0.011 0.000 0.928 290 K CB 0.466 32.963 32.500 -0.005 0.000 1.013 290 K HN 0.235 nan 8.250 nan 0.000 0.473 291 P HA -0.089 nan 4.420 nan 0.000 0.262 291 P C 0.379 177.684 177.300 0.008 0.000 1.182 291 P CA 1.132 64.237 63.100 0.009 0.000 0.761 291 P CB 0.429 32.130 31.700 0.001 0.000 0.795 292 G N 1.597 110.405 108.800 0.013 0.000 2.213 292 G HA2 -0.184 3.776 3.960 0.000 0.000 0.236 292 G HA3 -0.184 3.776 3.960 0.000 0.000 0.236 292 G C 0.214 175.129 174.900 0.024 0.000 0.991 292 G CA -0.059 45.048 45.100 0.013 0.000 0.629 292 G HN 0.604 nan 8.290 nan 0.000 0.517 293 T N 1.668 116.241 114.554 0.032 0.000 2.771 293 T HA 0.634 4.984 4.350 0.000 0.000 0.281 293 T C 0.229 174.955 174.700 0.043 0.000 0.982 293 T CA -0.141 61.987 62.100 0.048 0.000 0.978 293 T CB 1.390 70.291 68.868 0.055 0.000 0.930 293 T HN 0.780 nan 8.240 nan 0.000 0.447 294 R N 2.884 123.409 120.500 0.041 0.000 2.854 294 R HA 0.835 5.175 4.340 0.000 0.000 0.271 294 R C -1.521 174.796 176.300 0.028 0.000 0.996 294 R CA -1.042 55.076 56.100 0.029 0.000 0.961 294 R CB 1.445 31.757 30.300 0.020 0.000 1.182 294 R HN 0.533 nan 8.270 nan 0.000 0.479 295 L N 2.598 123.828 121.223 0.012 0.000 2.362 295 L HA 0.638 4.978 4.340 0.000 0.000 0.271 295 L C -1.443 175.413 176.870 -0.023 0.000 1.002 295 L CA -0.981 53.859 54.840 -0.000 0.000 0.818 295 L CB 1.874 43.926 42.059 -0.011 0.000 1.298 295 L HN 0.707 nan 8.230 nan 0.000 0.420 296 I N 3.490 124.047 120.570 -0.022 0.000 2.478 296 I HA 0.337 4.507 4.170 0.000 0.000 0.287 296 I C -0.634 175.458 176.117 -0.042 0.000 1.042 296 I CA -0.324 60.958 61.300 -0.031 0.000 1.067 296 I CB 2.092 40.084 38.000 -0.014 0.000 1.233 296 I HN 0.533 nan 8.210 nan 0.000 0.431 297 S N 5.664 121.326 115.700 -0.064 0.000 2.472 297 S HA 0.708 5.178 4.470 0.000 0.000 0.303 297 S C -0.819 173.751 174.600 -0.051 0.000 1.099 297 S CA -0.467 57.689 58.200 -0.074 0.000 1.077 297 S CB 1.453 64.577 63.200 -0.127 0.000 1.031 297 S HN 0.323 nan 8.310 nan 0.000 0.487 298 V N 4.275 124.167 119.914 -0.036 0.000 2.357 298 V HA 0.637 4.757 4.120 0.000 0.000 0.284 298 V C 0.317 176.394 176.094 -0.029 0.000 1.018 298 V CA -0.500 61.783 62.300 -0.028 0.000 0.841 298 V CB 1.182 32.997 31.823 -0.014 0.000 0.991 298 V HN 0.956 nan 8.190 nan 0.000 0.437 299 T N 3.097 117.628 114.554 -0.037 0.000 2.900 299 T HA 0.261 4.611 4.350 0.000 0.000 0.295 299 T C 0.776 175.443 174.700 -0.054 0.000 1.044 299 T CA -0.154 61.923 62.100 -0.038 0.000 0.995 299 T CB 1.371 70.213 68.868 -0.043 0.000 1.072 299 T HN 0.875 nan 8.240 nan 0.000 0.473 300 C N 1.690 120.943 119.300 -0.078 0.000 2.613 300 C HA 0.473 4.933 4.460 0.000 0.000 0.273 300 C C 0.412 175.307 174.990 -0.158 0.000 1.304 300 C CA -0.530 58.415 59.018 -0.123 0.000 1.702 300 C CB -1.502 26.136 27.740 -0.170 0.000 1.792 300 C HN 0.741 nan 8.230 nan 0.000 0.588 301 D N 0.959 121.288 120.400 -0.118 0.000 2.469 301 D HA 0.350 4.990 4.640 0.000 0.000 0.251 301 D C -1.941 174.335 176.300 -0.042 0.000 1.173 301 D CA -1.809 52.131 54.000 -0.100 0.000 0.882 301 D CB 1.997 42.775 40.800 -0.037 0.000 1.129 301 D HN -0.099 nan 8.370 nan 0.000 0.549 302 P HA -0.087 nan 4.420 nan 0.000 0.216 302 P C 1.682 178.984 177.300 0.003 0.000 1.150 302 P CA 0.858 63.949 63.100 -0.014 0.000 0.843 302 P CB 0.371 32.069 31.700 -0.004 0.000 0.787 303 L N -0.764 120.476 121.223 0.028 0.000 2.201 303 L HA -0.154 4.186 4.340 0.000 0.000 0.212 303 L C 2.339 179.225 176.870 0.027 0.000 1.105 303 L CA 1.414 56.285 54.840 0.051 0.000 0.775 303 L CB -0.817 41.310 42.059 0.114 0.000 0.913 303 L HN 0.053 nan 8.230 nan 0.000 0.440 304 E N 0.289 120.495 120.200 0.010 0.000 2.046 304 E HA -0.167 4.183 4.350 0.000 0.000 0.190 304 E C 2.382 178.950 176.600 -0.053 0.000 0.982 304 E CA 1.034 57.421 56.400 -0.022 0.000 0.800 304 E CB -0.141 29.548 29.700 -0.019 0.000 0.756 304 E HN 0.478 nan 8.360 nan 0.000 0.449 305 A N 1.563 124.354 122.820 -0.048 0.000 1.940 305 A HA -0.152 4.168 4.320 0.000 0.000 0.219 305 A C 2.366 179.917 177.584 -0.055 0.000 1.176 305 A CA 1.801 53.802 52.037 -0.060 0.000 0.631 305 A CB -0.576 18.395 19.000 -0.048 0.000 0.814 305 A HN 0.292 nan 8.150 nan 0.000 0.446 306 A N 0.465 123.264 122.820 -0.034 0.000 1.929 306 A HA -0.106 4.214 4.320 0.000 0.000 0.216 306 A C 2.169 179.730 177.584 -0.038 0.000 1.176 306 A CA 1.493 53.514 52.037 -0.028 0.000 0.628 306 A CB -0.386 18.611 19.000 -0.006 0.000 0.816 306 A HN 0.707 nan 8.150 nan 0.000 0.444 307 R N -0.633 119.844 120.500 -0.038 0.000 2.300 307 R HA 0.472 4.812 4.340 0.000 0.000 0.199 307 R C 0.749 176.997 176.300 -0.086 0.000 0.920 307 R CA 0.537 56.613 56.100 -0.040 0.000 1.046 307 R CB -0.447 29.849 30.300 -0.008 0.000 0.984 307 R HN 0.252 nan 8.270 nan 0.000 0.493 308 A N 2.917 125.662 122.820 -0.126 0.000 2.546 308 A HA 0.158 4.478 4.320 0.000 0.000 0.243 308 A C -1.623 175.826 177.584 -0.225 0.000 1.063 308 A CA -1.061 50.855 52.037 -0.202 0.000 0.757 308 A CB 0.191 19.055 19.000 -0.228 0.000 0.991 308 A HN 0.219 nan 8.150 nan 0.000 0.503 309 P HA 0.052 nan 4.420 nan 0.000 0.241 309 P C -0.095 176.955 177.300 -0.417 0.000 1.191 309 P CA 0.807 63.619 63.100 -0.479 0.000 0.771 309 P CB -0.002 31.037 31.700 -1.103 0.000 0.929 310 M N -3.255 116.159 119.600 -0.310 0.000 2.682 310 M HA 0.656 5.136 4.480 0.000 0.000 0.272 310 M C -0.445 175.769 176.300 -0.144 0.000 1.232 310 M CA -0.471 54.722 55.300 -0.179 0.000 0.849 310 M CB 1.082 33.612 32.600 -0.118 0.000 1.695 310 M HN 0.034 nan 8.290 nan 0.000 0.481 311 G N 1.465 110.212 108.800 -0.088 0.000 2.707 311 G HA2 -0.004 3.956 3.960 0.000 0.000 0.686 311 G HA3 -0.004 3.956 3.960 0.000 0.000 0.686 311 G C -1.588 173.270 174.900 -0.071 0.000 1.315 311 G CA -0.397 44.657 45.100 -0.076 0.000 0.832 311 G HN 0.984 nan 8.290 nan 0.000 0.573 312 D N 0.020 120.387 120.400 -0.055 0.000 2.348 312 D HA 0.753 5.393 4.640 0.000 0.000 0.249 312 D C 0.706 176.970 176.300 -0.060 0.000 1.110 312 D CA 0.938 54.909 54.000 -0.049 0.000 0.967 312 D CB 1.655 42.435 40.800 -0.032 0.000 1.139 312 D HN 1.292 nan 8.370 nan 0.000 0.466 313 A N 0.439 123.228 122.820 -0.052 0.000 2.539 313 A HA 0.730 5.050 4.320 0.000 0.000 0.296 313 A C -1.196 176.363 177.584 -0.041 0.000 1.073 313 A CA -0.600 51.404 52.037 -0.055 0.000 0.700 313 A CB 1.202 20.162 19.000 -0.067 0.000 1.296 313 A HN 0.452 nan 8.150 nan 0.000 0.405 314 I N 1.033 121.580 120.570 -0.039 0.000 2.499 314 I HA 0.391 4.561 4.170 0.000 0.000 0.288 314 I C -0.953 175.144 176.117 -0.034 0.000 1.048 314 I CA -0.798 60.483 61.300 -0.031 0.000 1.062 314 I CB 2.332 40.318 38.000 -0.024 0.000 1.238 314 I HN 0.314 nan 8.210 nan 0.000 0.426 315 V N 5.844 125.738 119.914 -0.033 0.000 2.318 315 V HA 0.862 4.982 4.120 0.000 0.000 0.271 315 V C 0.208 176.281 176.094 -0.036 0.000 1.030 315 V CA -0.107 62.170 62.300 -0.038 0.000 0.844 315 V CB 0.637 32.438 31.823 -0.037 0.000 1.015 315 V HN 0.867 nan 8.190 nan 0.000 0.460 316 A N 3.567 126.364 122.820 -0.039 0.000 2.564 316 A HA 0.626 4.946 4.320 0.000 0.000 0.291 316 A C -1.072 176.489 177.584 -0.038 0.000 1.102 316 A CA -0.784 51.233 52.037 -0.033 0.000 0.660 316 A CB 1.105 20.091 19.000 -0.022 0.000 1.283 316 A HN 0.708 nan 8.150 nan 0.000 0.430 317 D N 0.150 120.532 120.400 -0.031 0.000 2.425 317 D HA 0.251 4.891 4.640 0.000 0.000 0.247 317 D C 1.027 177.316 176.300 -0.018 0.000 1.147 317 D CA -0.268 53.715 54.000 -0.029 0.000 0.879 317 D CB 0.360 41.148 40.800 -0.020 0.000 1.179 317 D HN 0.272 nan 8.370 nan 0.000 0.456 318 I N 3.744 124.303 120.570 -0.017 0.000 2.286 318 I HA -0.037 4.133 4.170 0.000 0.000 0.245 318 I C 2.315 178.436 176.117 0.007 0.000 1.104 318 I CA 1.112 62.411 61.300 -0.002 0.000 1.397 318 I CB -1.575 36.429 38.000 0.005 0.000 1.072 318 I HN 0.701 nan 8.210 nan 0.000 0.417 319 G N 0.740 109.544 108.800 0.007 0.000 2.421 319 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 319 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 319 G C 1.855 176.761 174.900 0.009 0.000 1.171 319 G CA 1.049 46.156 45.100 0.011 0.000 0.775 319 G HN 0.476 nan 8.290 nan 0.000 0.543 320 A N 0.274 123.097 122.820 0.006 0.000 1.902 320 A HA 0.035 4.355 4.320 0.000 0.000 0.217 320 A C 2.448 180.035 177.584 0.005 0.000 1.181 320 A CA 1.953 53.994 52.037 0.005 0.000 0.623 320 A CB -0.306 18.696 19.000 0.003 0.000 0.818 320 A HN 0.308 nan 8.150 nan 0.000 0.443 321 M N -0.597 119.005 119.600 0.003 0.000 2.123 321 M HA -0.036 4.444 4.480 0.000 0.000 0.263 321 M C 2.567 178.873 176.300 0.010 0.000 1.069 321 M CA 1.526 56.828 55.300 0.004 0.000 1.133 321 M CB -1.499 31.101 32.600 0.000 0.000 1.356 321 M HN 0.474 nan 8.290 nan 0.000 0.415 322 A N -0.448 122.381 122.820 0.015 0.000 1.883 322 A HA -0.172 4.148 4.320 0.000 0.000 0.217 322 A C 2.497 180.093 177.584 0.020 0.000 1.186 322 A CA 2.384 54.434 52.037 0.022 0.000 0.624 322 A CB -1.033 17.985 19.000 0.030 0.000 0.822 322 A HN 0.492 nan 8.150 nan 0.000 0.444 323 S N -0.507 115.202 115.700 0.015 0.000 2.356 323 S HA -0.065 4.405 4.470 0.000 0.000 0.223 323 S C 2.200 176.807 174.600 0.012 0.000 1.032 323 S CA 1.695 59.903 58.200 0.013 0.000 1.005 323 S CB -0.518 62.688 63.200 0.010 0.000 0.867 323 S HN 0.840 nan 8.310 nan 0.000 0.449 324 A N 1.324 124.150 122.820 0.010 0.000 1.877 324 A HA 0.043 4.363 4.320 0.000 0.000 0.216 324 A C 2.247 179.837 177.584 0.011 0.000 1.186 324 A CA 1.499 53.541 52.037 0.009 0.000 0.620 324 A CB -0.844 18.160 19.000 0.006 0.000 0.822 324 A HN 0.574 nan 8.150 nan 0.000 0.443 325 L N -0.842 120.389 121.223 0.013 0.000 2.056 325 L HA -0.169 4.171 4.340 0.000 0.000 0.207 325 L C 3.070 179.951 176.870 0.019 0.000 1.078 325 L CA 0.989 55.838 54.840 0.015 0.000 0.749 325 L CB -0.504 41.565 42.059 0.017 0.000 0.901 325 L HN 0.437 nan 8.230 nan 0.000 0.433 326 A N -0.133 122.699 122.820 0.021 0.000 1.972 326 A HA -0.178 4.142 4.320 0.000 0.000 0.219 326 A C 1.945 179.541 177.584 0.020 0.000 1.169 326 A CA 1.652 53.703 52.037 0.024 0.000 0.635 326 A CB -0.416 18.598 19.000 0.024 0.000 0.810 326 A HN 0.466 nan 8.150 nan 0.000 0.446 327 N N -0.846 117.864 118.700 0.015 0.000 2.373 327 N HA 0.159 4.899 4.740 0.000 0.000 0.181 327 N C 1.249 176.766 175.510 0.012 0.000 1.082 327 N CA 0.466 53.524 53.050 0.013 0.000 0.885 327 N CB 0.287 38.780 38.487 0.010 0.000 0.977 327 N HN 0.465 nan 8.380 nan 0.000 0.462 328 L N 0.566 121.797 121.223 0.013 0.000 2.470 328 L HA 0.153 4.493 4.340 0.000 0.000 0.219 328 L C 0.791 177.669 176.870 0.013 0.000 1.071 328 L CA 0.035 54.882 54.840 0.012 0.000 0.850 328 L CB 0.146 42.211 42.059 0.010 0.000 1.040 328 L HN -0.112 nan 8.230 nan 0.000 0.475 329 V N -1.581 118.343 119.914 0.016 0.000 3.096 329 V HA 0.118 4.239 4.120 0.000 0.000 0.306 329 V C 0.288 176.393 176.094 0.018 0.000 1.088 329 V CA -0.895 61.416 62.300 0.018 0.000 1.129 329 V CB 0.447 32.283 31.823 0.021 0.000 1.014 329 V HN 0.148 nan 8.190 nan 0.000 0.486 330 E N 0.932 121.143 120.200 0.018 0.000 2.390 330 E HA 0.197 4.547 4.350 0.000 0.000 0.261 330 E C -0.228 176.385 176.600 0.022 0.000 1.076 330 E CA -0.256 56.155 56.400 0.018 0.000 0.905 330 E CB 0.711 30.422 29.700 0.017 0.000 0.984 330 E HN 0.889 nan 8.360 nan 0.000 0.427 331 E N 1.635 121.848 120.200 0.021 0.000 2.166 331 E HA 0.022 4.372 4.350 0.000 0.000 0.279 331 E C -0.717 175.897 176.600 0.024 0.000 1.095 331 E CA -0.050 56.364 56.400 0.024 0.000 0.888 331 E CB 0.659 30.372 29.700 0.022 0.000 1.041 331 E HN 0.283 nan 8.360 nan 0.000 0.414 332 S N 3.007 118.723 115.700 0.027 0.000 2.572 332 S HA 0.032 4.502 4.470 0.000 0.000 0.279 332 S C 1.020 175.634 174.600 0.024 0.000 1.341 332 S CA 0.139 58.355 58.200 0.026 0.000 1.043 332 S CB 0.502 63.720 63.200 0.031 0.000 0.887 332 S HN 0.654 nan 8.310 nan 0.000 0.516 333 S N 4.050 119.762 115.700 0.021 0.000 2.603 333 S HA 0.164 4.634 4.470 0.000 0.000 0.220 333 S C 0.691 175.303 174.600 0.019 0.000 0.967 333 S CA -0.251 57.960 58.200 0.018 0.000 0.920 333 S CB -0.141 63.068 63.200 0.015 0.000 0.773 333 S HN 0.702 nan 8.310 nan 0.000 0.529 334 R N 1.651 122.164 120.500 0.022 0.000 2.827 334 R HA 0.158 4.498 4.340 0.000 0.000 0.269 334 R C 0.457 176.771 176.300 0.023 0.000 1.048 334 R CA -0.098 56.016 56.100 0.023 0.000 1.173 334 R CB 0.251 30.568 30.300 0.029 0.000 1.070 334 R HN 0.468 nan 8.270 nan 0.000 0.498 335 Q N 1.704 121.516 119.800 0.020 0.000 2.327 335 Q HA 0.071 4.411 4.340 0.000 0.000 0.254 335 Q C -0.669 175.344 176.000 0.022 0.000 0.952 335 Q CA -0.516 55.297 55.803 0.017 0.000 0.884 335 Q CB 0.867 29.612 28.738 0.012 0.000 1.224 335 Q HN 0.341 nan 8.270 nan 0.000 0.422 336 L N 6.403 127.639 121.223 0.023 0.000 2.490 336 L HA 0.188 4.528 4.340 0.000 0.000 0.274 336 L C -2.188 174.694 176.870 0.020 0.000 1.201 336 L CA -0.782 54.076 54.840 0.031 0.000 0.869 336 L CB 0.328 42.404 42.059 0.028 0.000 1.123 336 L HN 0.625 nan 8.230 nan 0.000 0.484 337 P HA 0.029 nan 4.420 nan 0.000 0.266 337 P C -1.072 176.226 177.300 -0.002 0.000 1.186 337 P CA 0.043 63.146 63.100 0.005 0.000 0.767 337 P CB 0.206 31.903 31.700 -0.005 0.000 0.820 338 T N -0.653 113.894 114.554 -0.011 0.000 2.882 338 T HA 0.633 4.983 4.350 0.000 0.000 0.287 338 T C 0.154 174.845 174.700 -0.015 0.000 0.992 338 T CA -0.948 61.143 62.100 -0.015 0.000 1.076 338 T CB 0.863 69.724 68.868 -0.012 0.000 0.961 338 T HN 0.418 nan 8.240 nan 0.000 0.490 339 A N 2.292 125.104 122.820 -0.012 0.000 2.498 339 A HA 0.570 4.890 4.320 0.000 0.000 0.239 339 A C 1.019 178.606 177.584 0.005 0.000 1.068 339 A CA -0.262 51.779 52.037 0.005 0.000 0.766 339 A CB -0.782 18.219 19.000 0.002 0.000 1.003 339 A HN 1.518 nan 8.150 nan 0.000 0.497 340 A N 3.825 126.654 122.820 0.015 0.000 2.483 340 A HA 0.521 4.841 4.320 0.000 0.000 0.238 340 A C -1.679 175.916 177.584 0.018 0.000 1.070 340 A CA -0.797 51.244 52.037 0.007 0.000 0.770 340 A CB -0.749 18.255 19.000 0.007 0.000 1.008 340 A HN 0.747 nan 8.150 nan 0.000 0.497 341 P HA 0.315 nan 4.420 nan 0.000 0.272 341 P C -0.244 177.068 177.300 0.021 0.000 1.240 341 P CA -0.417 62.691 63.100 0.013 0.000 0.791 341 P CB 0.378 32.083 31.700 0.009 0.000 0.978 342 E N 1.433 121.644 120.200 0.019 0.000 2.404 342 E HA 0.166 4.516 4.350 0.000 0.000 0.261 342 E C -1.842 174.771 176.600 0.021 0.000 1.074 342 E CA -1.092 55.322 56.400 0.022 0.000 0.917 342 E CB -0.606 29.105 29.700 0.018 0.000 0.965 342 E HN 0.346 nan 8.360 nan 0.000 0.433 343 P HA 0.168 nan 4.420 nan 0.000 0.274 343 P C -1.252 176.059 177.300 0.018 0.000 1.231 343 P CA -0.408 62.706 63.100 0.023 0.000 0.790 343 P CB 0.925 32.642 31.700 0.029 0.000 0.951 344 A N 2.814 125.642 122.820 0.014 0.000 2.386 344 A HA 0.191 4.511 4.320 0.000 0.000 0.248 344 A C 0.332 177.921 177.584 0.009 0.000 1.082 344 A CA -0.454 51.589 52.037 0.008 0.000 0.789 344 A CB -0.073 18.929 19.000 0.003 0.000 1.025 344 A HN 0.456 nan 8.150 nan 0.000 0.490 345 K N 1.338 121.741 120.400 0.006 0.000 2.383 345 K HA 0.260 4.580 4.320 0.000 0.000 0.286 345 K C -0.638 175.953 176.600 -0.014 0.000 1.051 345 K CA -0.215 56.074 56.287 0.003 0.000 0.974 345 K CB 0.752 33.255 32.500 0.006 0.000 0.968 345 K HN 0.398 nan 8.250 nan 0.000 0.475 346 V N 3.610 123.506 119.914 -0.029 0.000 2.614 346 V HA -0.048 4.072 4.120 0.000 0.000 0.291 346 V C 0.200 176.244 176.094 -0.083 0.000 1.049 346 V CA -0.366 61.882 62.300 -0.087 0.000 1.038 346 V CB 0.777 32.512 31.823 -0.146 0.000 0.980 346 V HN 0.665 nan 8.190 nan 0.000 0.481 347 D N 3.417 123.761 120.400 -0.094 0.000 2.533 347 D HA 0.254 4.894 4.640 0.000 0.000 0.236 347 D C 0.021 176.308 176.300 -0.021 0.000 1.137 347 D CA 0.573 54.545 54.000 -0.047 0.000 0.867 347 D CB 0.423 41.199 40.800 -0.040 0.000 1.170 347 D HN 0.574 nan 8.370 nan 0.000 0.474 348 Q N 2.141 121.972 119.800 0.051 0.000 2.274 348 Q HA 0.271 4.611 4.340 0.000 0.000 0.268 348 Q C -1.323 174.731 176.000 0.089 0.000 1.015 348 Q CA -0.844 55.039 55.803 0.135 0.000 0.775 348 Q CB 1.171 29.979 28.738 0.117 0.000 1.256 348 Q HN 0.384 nan 8.270 nan 0.000 0.442 349 D N 2.193 122.652 120.400 0.098 0.000 2.469 349 D HA 0.355 4.995 4.640 0.000 0.000 0.278 349 D C 0.107 176.429 176.300 0.038 0.000 1.231 349 D CA -0.074 53.960 54.000 0.056 0.000 1.075 349 D CB 0.346 41.177 40.800 0.052 0.000 1.121 349 D HN 0.476 nan 8.370 nan 0.000 0.571 350 A N -1.187 121.648 122.820 0.024 0.000 2.302 350 A HA 0.477 4.797 4.320 0.000 0.000 0.219 350 A C 1.008 178.596 177.584 0.006 0.000 1.243 350 A CA 0.492 52.538 52.037 0.015 0.000 0.856 350 A CB -0.971 18.037 19.000 0.013 0.000 0.893 350 A HN 0.554 nan 8.150 nan 0.000 0.491 351 G N -0.701 108.100 108.800 0.002 0.000 3.019 351 G HA2 0.420 4.380 3.960 0.000 0.000 0.152 351 G HA3 0.420 4.380 3.960 0.000 0.000 0.152 351 G C -0.016 174.864 174.900 -0.033 0.000 1.320 351 G CA -0.982 44.111 45.100 -0.012 0.000 1.013 351 G HN 0.374 nan 8.290 nan 0.000 0.593 352 R N -0.509 119.957 120.500 -0.057 0.000 2.697 352 R HA 0.093 4.433 4.340 0.000 0.000 0.265 352 R C -0.266 175.953 176.300 -0.135 0.000 1.009 352 R CA 0.093 56.141 56.100 -0.087 0.000 1.099 352 R CB 0.171 30.410 30.300 -0.101 0.000 0.965 352 R HN 0.212 nan 8.270 nan 0.000 0.428 353 L N 3.954 125.106 121.223 -0.118 0.000 2.331 353 L HA 0.141 4.481 4.340 0.000 0.000 0.278 353 L C 0.718 177.480 176.870 -0.181 0.000 1.106 353 L CA -0.342 54.430 54.840 -0.113 0.000 0.824 353 L CB 0.468 42.481 42.059 -0.077 0.000 1.142 353 L HN 0.396 nan 8.230 nan 0.000 0.443 354 H N 4.112 123.169 119.070 -0.021 0.000 2.848 354 H HA 0.036 4.592 4.556 0.000 0.000 0.341 354 H C -1.517 173.784 175.328 -0.045 0.000 1.060 354 H CA -1.391 54.648 56.048 -0.014 0.000 1.444 354 H CB 1.033 30.798 29.762 0.005 0.000 1.446 354 H HN 0.387 nan 8.280 nan 0.000 0.583 355 P HA -0.164 nan 4.420 nan 0.000 0.216 355 P C 1.097 178.404 177.300 0.012 0.000 1.150 355 P CA 1.309 64.387 63.100 -0.037 0.000 0.843 355 P CB 0.402 32.161 31.700 0.099 0.000 0.787 356 E N -1.092 119.200 120.200 0.154 0.000 2.085 356 E HA -0.147 4.203 4.350 0.000 0.000 0.194 356 E C 1.960 178.622 176.600 0.103 0.000 0.994 356 E CA 1.825 58.329 56.400 0.174 0.000 0.801 356 E CB -1.315 28.449 29.700 0.106 0.000 0.743 356 E HN 0.250 nan 8.360 nan 0.000 0.453 357 T N 0.093 114.686 114.554 0.065 0.000 2.821 357 T HA -0.101 4.249 4.350 0.000 0.000 0.267 357 T C 1.987 176.666 174.700 -0.035 0.000 1.046 357 T CA 1.092 63.211 62.100 0.031 0.000 1.139 357 T CB -0.215 68.685 68.868 0.053 0.000 0.871 357 T HN -0.026 nan 8.240 nan 0.000 0.454 358 V N 0.890 120.718 119.914 -0.143 0.000 2.295 358 V HA -0.112 4.008 4.120 0.000 0.000 0.246 358 V C 2.140 178.078 176.094 -0.260 0.000 1.049 358 V CA 1.613 63.752 62.300 -0.267 0.000 1.024 358 V CB -0.809 30.743 31.823 -0.452 0.000 0.648 358 V HN 0.362 nan 8.190 nan 0.000 0.447 359 F N 0.651 120.586 119.950 -0.025 0.000 2.186 359 F HA -0.110 4.418 4.527 0.000 0.000 0.299 359 F C 2.259 178.029 175.800 -0.050 0.000 1.090 359 F CA 1.355 59.316 58.000 -0.065 0.000 1.307 359 F CB -0.883 38.064 39.000 -0.089 0.000 1.019 359 F HN 0.190 nan 8.300 nan 0.000 0.489 360 D N -0.473 120.006 120.400 0.131 0.000 2.123 360 D HA -0.133 4.507 4.640 0.000 0.000 0.196 360 D C 2.274 178.605 176.300 0.051 0.000 0.992 360 D CA 1.806 55.852 54.000 0.077 0.000 0.833 360 D CB -0.606 40.229 40.800 0.059 0.000 0.954 360 D HN 0.190 nan 8.370 nan 0.000 0.455 361 T N 0.541 115.114 114.554 0.032 0.000 2.812 361 T HA 0.014 4.364 4.350 0.000 0.000 0.264 361 T C 2.215 176.939 174.700 0.040 0.000 1.042 361 T CA 0.269 62.383 62.100 0.023 0.000 1.140 361 T CB -0.160 68.709 68.868 0.001 0.000 0.870 361 T HN 0.097 nan 8.240 nan 0.000 0.445 362 L N 1.330 122.583 121.223 0.051 0.000 2.012 362 L HA -0.156 4.184 4.340 0.000 0.000 0.210 362 L C 2.620 179.568 176.870 0.131 0.000 1.073 362 L CA 1.351 56.254 54.840 0.105 0.000 0.748 362 L CB -0.546 41.605 42.059 0.152 0.000 0.891 362 L HN 0.269 nan 8.230 nan 0.000 0.431 363 N N -0.147 118.612 118.700 0.099 0.000 2.223 363 N HA -0.204 4.536 4.740 0.000 0.000 0.185 363 N C 1.433 176.984 175.510 0.069 0.000 1.016 363 N CA 1.366 54.468 53.050 0.087 0.000 0.863 363 N CB 0.007 38.521 38.487 0.045 0.000 0.983 363 N HN 0.212 nan 8.380 nan 0.000 0.429 364 D N -0.582 119.850 120.400 0.054 0.000 2.144 364 D HA -0.076 4.564 4.640 0.000 0.000 0.200 364 D C 1.600 177.922 176.300 0.037 0.000 0.978 364 D CA 1.073 55.096 54.000 0.038 0.000 0.833 364 D CB 0.004 40.822 40.800 0.029 0.000 0.961 364 D HN 0.473 nan 8.370 nan 0.000 0.470 365 M N -0.176 119.451 119.600 0.045 0.000 2.571 365 M HA 0.224 4.704 4.480 0.000 0.000 0.259 365 M C 0.876 177.195 176.300 0.033 0.000 1.205 365 M CA -0.102 55.218 55.300 0.033 0.000 1.138 365 M CB 0.663 33.280 32.600 0.028 0.000 1.329 365 M HN -0.197 nan 8.290 nan 0.000 0.503 366 A N 2.571 125.426 122.820 0.057 0.000 2.386 366 A HA 0.405 4.725 4.320 0.000 0.000 0.248 366 A C -2.074 175.518 177.584 0.014 0.000 1.082 366 A CA -1.084 50.975 52.037 0.037 0.000 0.789 366 A CB -0.714 18.339 19.000 0.088 0.000 1.025 366 A HN 0.118 nan 8.150 nan 0.000 0.490 367 P HA 0.067 nan 4.420 nan 0.000 0.269 367 P C 0.069 177.356 177.300 -0.021 0.000 1.217 367 P CA 0.012 63.096 63.100 -0.026 0.000 0.783 367 P CB 0.487 32.160 31.700 -0.045 0.000 0.898 368 E N 0.642 120.833 120.200 -0.015 0.000 2.347 368 E HA -0.126 4.224 4.350 0.000 0.000 0.196 368 E C 0.875 177.460 176.600 -0.025 0.000 1.008 368 E CA 0.691 57.086 56.400 -0.009 0.000 0.852 368 E CB -0.201 29.493 29.700 -0.010 0.000 0.783 368 E HN 0.508 nan 8.360 nan 0.000 0.505 369 N N 0.557 119.230 118.700 -0.044 0.000 2.279 369 N HA 0.094 4.834 4.740 0.000 0.000 0.226 369 N C -0.096 175.353 175.510 -0.101 0.000 1.126 369 N CA -0.079 52.936 53.050 -0.058 0.000 0.846 369 N CB 0.099 38.558 38.487 -0.047 0.000 1.050 369 N HN -0.074 nan 8.380 nan 0.000 0.502 370 A N 0.720 123.448 122.820 -0.153 0.000 2.492 370 A HA 0.380 4.700 4.320 0.000 0.000 0.236 370 A C 0.071 177.445 177.584 -0.349 0.000 1.078 370 A CA 0.035 51.886 52.037 -0.309 0.000 0.773 370 A CB 0.011 18.693 19.000 -0.529 0.000 1.023 370 A HN 0.413 nan 8.150 nan 0.000 0.504 371 I N 0.575 120.917 120.570 -0.380 0.000 2.465 371 I HA 0.365 4.535 4.170 0.000 0.000 0.291 371 I C -1.252 174.670 176.117 -0.325 0.000 1.014 371 I CA -0.296 60.864 61.300 -0.232 0.000 1.093 371 I CB 1.602 39.577 38.000 -0.042 0.000 1.267 371 I HN 0.613 nan 8.210 nan 0.000 0.431 372 Y N 5.931 126.241 120.300 0.016 0.000 2.420 372 Y HA 0.663 5.213 4.550 0.000 0.000 0.334 372 Y C -0.493 175.388 175.900 -0.031 0.000 1.094 372 Y CA -0.830 57.267 58.100 -0.005 0.000 1.126 372 Y CB 1.507 39.966 38.460 -0.003 0.000 1.217 372 Y HN 0.285 nan 8.280 nan 0.000 0.462 373 L N 2.685 123.974 121.223 0.110 0.000 2.362 373 L HA 0.462 4.802 4.340 0.000 0.000 0.271 373 L C -0.634 176.204 176.870 -0.054 0.000 1.002 373 L CA -0.680 54.164 54.840 0.005 0.000 0.818 373 L CB 1.639 43.734 42.059 0.060 0.000 1.298 373 L HN 0.556 nan 8.230 nan 0.000 0.420 374 N N 1.542 120.110 118.700 -0.221 0.000 2.417 374 N HA 0.301 5.041 4.740 0.000 0.000 0.274 374 N C -0.801 174.591 175.510 -0.197 0.000 0.987 374 N CA -0.208 52.658 53.050 -0.306 0.000 0.912 374 N CB 1.460 39.539 38.487 -0.680 0.000 1.177 374 N HN 0.701 nan 8.380 nan 0.000 0.490 375 E N 1.747 121.924 120.200 -0.038 0.000 4.017 375 E HA 0.134 4.484 4.350 0.000 0.000 0.205 375 E C -1.293 175.365 176.600 0.096 0.000 1.054 375 E CA -0.098 56.374 56.400 0.120 0.000 1.398 375 E CB 0.181 30.023 29.700 0.236 0.000 1.164 375 E HN 0.346 nan 8.360 nan 0.000 0.445 376 S N 0.323 116.021 115.700 -0.003 0.000 2.426 376 S HA 0.093 4.563 4.470 0.000 0.000 0.236 376 S C 1.233 175.869 174.600 0.059 0.000 1.368 376 S CA -0.214 58.025 58.200 0.064 0.000 1.154 376 S CB 0.363 63.619 63.200 0.093 0.000 1.037 376 S HN 0.414 nan 8.310 nan 0.000 0.481 377 T N 0.687 115.329 114.554 0.147 0.000 2.881 377 T HA -0.126 4.224 4.350 0.000 0.000 0.270 377 T C 1.732 176.501 174.700 0.116 0.000 1.068 377 T CA 1.471 63.699 62.100 0.214 0.000 1.131 377 T CB -0.445 68.591 68.868 0.279 0.000 0.871 377 T HN 0.663 nan 8.240 nan 0.000 0.479 378 S N 1.209 116.949 115.700 0.066 0.000 2.575 378 S HA 0.078 4.548 4.470 0.000 0.000 0.215 378 S C 1.664 176.253 174.600 -0.019 0.000 0.966 378 S CA 0.303 58.490 58.200 -0.022 0.000 0.911 378 S CB -0.476 62.728 63.200 0.006 0.000 0.780 378 S HN 0.712 nan 8.310 nan 0.000 0.514 379 T N -2.881 111.701 114.554 0.046 0.000 3.084 379 T HA 0.205 4.555 4.350 0.000 0.000 0.270 379 T C 1.268 175.979 174.700 0.018 0.000 1.008 379 T CA 0.261 62.420 62.100 0.098 0.000 0.900 379 T CB -0.262 68.777 68.868 0.285 0.000 1.084 379 T HN 0.176 nan 8.240 nan 0.000 0.538 380 T N 2.390 116.943 114.554 -0.001 0.000 2.665 380 T HA -0.062 4.288 4.350 0.000 0.000 0.268 380 T C 2.390 177.137 174.700 0.080 0.000 1.035 380 T CA 1.662 63.778 62.100 0.027 0.000 1.151 380 T CB -0.727 68.251 68.868 0.184 0.000 0.862 380 T HN 0.635 nan 8.240 nan 0.000 0.438 381 A N 1.181 124.027 122.820 0.043 0.000 1.933 381 A HA -0.173 4.147 4.320 0.000 0.000 0.218 381 A C 2.296 179.886 177.584 0.010 0.000 1.175 381 A CA 1.654 53.714 52.037 0.039 0.000 0.628 381 A CB -0.627 18.360 19.000 -0.021 0.000 0.814 381 A HN 0.489 nan 8.150 nan 0.000 0.444 382 Q N -1.178 118.596 119.800 -0.042 0.000 2.119 382 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 382 Q C 2.128 177.948 176.000 -0.300 0.000 0.972 382 Q CA 1.553 57.320 55.803 -0.060 0.000 0.847 382 Q CB -0.372 28.416 28.738 0.085 0.000 0.903 382 Q HN 0.767 nan 8.270 nan 0.000 0.433 383 M N -1.036 118.151 119.600 -0.687 0.000 2.080 383 M HA -0.208 4.272 4.480 0.000 0.000 0.260 383 M C 1.162 177.095 176.300 -0.611 0.000 1.068 383 M CA 1.704 56.266 55.300 -1.230 0.000 1.109 383 M CB -0.125 31.738 32.600 -1.228 0.000 1.342 383 M HN 0.296 nan 8.290 nan 0.000 0.405 384 W N 0.658 121.724 121.300 -0.390 0.000 2.374 384 W HA -0.182 4.478 4.660 0.000 0.000 0.288 384 W C 2.351 178.782 176.519 -0.146 0.000 1.218 384 W CA 1.296 58.485 57.345 -0.260 0.000 1.245 384 W CB -0.145 29.207 29.460 -0.180 0.000 1.126 384 W HN 0.368 nan 8.180 nan 0.000 0.545 385 Q N -0.742 119.109 119.800 0.084 0.000 2.245 385 Q HA -0.033 4.307 4.340 0.000 0.000 0.201 385 Q C 1.911 177.919 176.000 0.014 0.000 0.955 385 Q CA 0.922 56.767 55.803 0.070 0.000 0.870 385 Q CB -0.053 28.711 28.738 0.043 0.000 0.945 385 Q HN 0.310 nan 8.270 nan 0.000 0.461 386 R N -0.611 119.847 120.500 -0.069 0.000 2.307 386 R HA 0.242 4.583 4.340 0.000 0.000 0.200 386 R C -0.075 176.174 176.300 -0.085 0.000 0.893 386 R CA -0.032 56.041 56.100 -0.046 0.000 1.042 386 R CB 0.734 31.046 30.300 0.020 0.000 1.059 386 R HN 0.063 nan 8.270 nan 0.000 0.530 387 L N 1.841 122.944 121.223 -0.201 0.000 2.265 387 L HA 0.277 4.617 4.340 0.000 0.000 0.289 387 L C -0.328 176.452 176.870 -0.151 0.000 1.033 387 L CA -0.469 54.221 54.840 -0.251 0.000 0.814 387 L CB 1.368 43.078 42.059 -0.582 0.000 1.203 387 L HN 0.116 nan 8.230 nan 0.000 0.423 388 N N 4.901 123.566 118.700 -0.060 0.000 2.399 388 N HA 0.247 4.987 4.740 0.000 0.000 0.259 388 N C -0.735 174.760 175.510 -0.025 0.000 1.160 388 N CA -0.325 52.702 53.050 -0.039 0.000 0.946 388 N CB 0.508 38.990 38.487 -0.009 0.000 1.156 388 N HN 0.561 nan 8.380 nan 0.000 0.489 389 M N 3.809 123.360 119.600 -0.081 0.000 2.060 389 M HA 0.220 4.700 4.480 0.000 0.000 0.342 389 M C 0.806 177.047 176.300 -0.099 0.000 1.031 389 M CA -0.422 54.842 55.300 -0.061 0.000 0.981 389 M CB 1.435 33.965 32.600 -0.116 0.000 1.376 389 M HN 0.484 nan 8.290 nan 0.000 0.397 390 R N 0.387 120.845 120.500 -0.070 0.000 2.161 390 R HA 0.118 4.458 4.340 0.000 0.000 0.213 390 R C 0.344 176.583 176.300 -0.100 0.000 1.055 390 R CA 0.706 56.753 56.100 -0.089 0.000 0.996 390 R CB 0.199 30.463 30.300 -0.059 0.000 0.901 390 R HN 0.598 nan 8.270 nan 0.000 0.456 391 N N 0.907 119.561 118.700 -0.075 0.000 2.443 391 N HA 0.301 5.041 4.740 0.000 0.000 0.293 391 N C -2.615 172.857 175.510 -0.063 0.000 1.159 391 N CA -1.681 51.329 53.050 -0.067 0.000 0.904 391 N CB 1.206 39.664 38.487 -0.047 0.000 1.214 391 N HN -0.215 nan 8.380 nan 0.000 0.513 392 P HA 0.102 nan 4.420 nan 0.000 0.271 392 P C 0.492 177.782 177.300 -0.016 0.000 1.244 392 P CA 0.234 63.315 63.100 -0.032 0.000 0.793 392 P CB 0.240 31.929 31.700 -0.019 0.000 0.984 393 G N 0.240 109.032 108.800 -0.013 0.000 2.305 393 G HA2 -0.257 3.703 3.960 0.000 0.000 0.287 393 G HA3 -0.257 3.703 3.960 0.000 0.000 0.287 393 G C 0.578 175.476 174.900 -0.004 0.000 1.036 393 G CA 0.505 45.616 45.100 0.019 0.000 0.887 393 G HN 0.444 nan 8.290 nan 0.000 0.505 394 S N -1.531 114.123 115.700 -0.076 0.000 2.539 394 S HA 0.396 4.866 4.470 0.000 0.000 0.221 394 S C -0.071 174.544 174.600 0.025 0.000 0.987 394 S CA 0.195 58.385 58.200 -0.016 0.000 0.929 394 S CB 0.529 63.729 63.200 -0.001 0.000 0.832 394 S HN 0.778 nan 8.310 nan 0.000 0.492 395 Y N 0.646 120.723 120.300 -0.372 0.000 2.482 395 Y HA 0.554 5.104 4.550 0.000 0.000 0.334 395 Y C -2.198 173.350 175.900 -0.587 0.000 1.091 395 Y CA -1.260 56.648 58.100 -0.319 0.000 1.027 395 Y CB 1.058 39.293 38.460 -0.376 0.000 1.306 395 Y HN 0.062 nan 8.280 nan 0.000 0.446 396 Y N 6.220 126.274 120.300 -0.411 0.000 2.470 396 Y HA 0.624 5.174 4.550 0.000 0.000 0.341 396 Y C -1.553 174.218 175.900 -0.214 0.000 1.021 396 Y CA -1.111 56.911 58.100 -0.131 0.000 1.025 396 Y CB 2.065 40.652 38.460 0.212 0.000 1.266 396 Y HN 0.552 nan 8.280 nan 0.000 0.448 397 F N 3.149 123.044 119.950 -0.091 0.000 2.574 397 F HA 0.433 4.960 4.527 0.000 0.000 0.313 397 F C -0.278 175.423 175.800 -0.164 0.000 1.130 397 F CA -2.399 55.571 58.000 -0.050 0.000 0.936 397 F CB 0.665 39.682 39.000 0.029 0.000 1.219 397 F HN 0.757 nan 8.300 nan 0.000 0.445 398 C N 4.251 123.508 119.300 -0.072 0.000 2.067 398 C HA 0.361 4.821 4.460 0.000 0.000 0.408 398 C C 1.560 176.242 174.990 -0.514 0.000 1.539 398 C CA 0.101 58.781 59.018 -0.564 0.000 1.434 398 C CB -1.617 26.016 27.740 -0.180 0.000 2.621 398 C HN 0.955 nan 8.230 nan 0.000 0.610 399 A N 3.251 125.781 122.820 -0.484 0.000 2.066 399 A HA 0.333 4.653 4.320 0.000 0.000 0.218 399 A C 2.185 179.624 177.584 -0.241 0.000 1.157 399 A CA 1.403 53.257 52.037 -0.305 0.000 0.670 399 A CB -0.319 18.535 19.000 -0.243 0.000 0.804 399 A HN 1.712 nan 8.150 nan 0.000 0.453 400 A N -2.016 120.669 122.820 -0.225 0.000 2.465 400 A HA 0.471 4.791 4.320 0.000 0.000 0.255 400 A C 1.549 179.019 177.584 -0.189 0.000 1.274 400 A CA 0.914 52.860 52.037 -0.151 0.000 0.920 400 A CB -0.684 18.271 19.000 -0.075 0.000 1.033 400 A HN 1.730 nan 8.150 nan 0.000 0.516 401 G N -1.133 107.498 108.800 -0.281 0.000 2.162 401 G HA2 -0.095 3.865 3.960 0.000 0.000 0.260 401 G HA3 -0.095 3.865 3.960 0.000 0.000 0.260 401 G C 0.661 175.448 174.900 -0.188 0.000 0.976 401 G CA 0.200 45.133 45.100 -0.280 0.000 0.655 401 G HN 1.472 nan 8.290 nan 0.000 0.533 402 G N 0.261 108.968 108.800 -0.156 0.000 2.356 402 G HA2 0.597 4.557 3.960 0.000 0.000 0.300 402 G HA3 0.597 4.557 3.960 0.000 0.000 0.300 402 G C 0.523 175.355 174.900 -0.113 0.000 1.107 402 G CA -0.596 44.430 45.100 -0.124 0.000 0.960 402 G HN 0.589 nan 8.290 nan 0.000 0.418 403 L N 1.702 122.771 121.223 -0.257 0.000 2.473 403 L HA 0.388 4.728 4.340 0.000 0.000 0.268 403 L C 1.593 178.326 176.870 -0.228 0.000 1.215 403 L CA 0.940 55.592 54.840 -0.314 0.000 0.823 403 L CB 0.735 42.354 42.059 -0.734 0.000 1.099 403 L HN 0.840 nan 8.230 nan 0.000 0.483 404 G N 1.200 110.017 108.800 0.029 0.000 2.176 404 G HA2 -0.322 3.638 3.960 0.000 0.000 0.232 404 G HA3 -0.322 3.638 3.960 0.000 0.000 0.232 404 G C 0.308 175.318 174.900 0.182 0.000 0.986 404 G CA 0.356 45.559 45.100 0.172 0.000 0.643 404 G HN 0.641 nan 8.290 nan 0.000 0.522 405 F N 1.710 121.691 119.950 0.051 0.000 2.147 405 F HA 0.492 5.019 4.527 0.000 0.000 0.291 405 F C 2.490 178.334 175.800 0.074 0.000 1.093 405 F CA 2.047 60.079 58.000 0.053 0.000 1.263 405 F CB -0.412 38.618 39.000 0.050 0.000 1.036 405 F HN 0.241 nan 8.300 nan 0.000 0.481 406 A N 0.728 123.567 122.820 0.033 0.000 1.969 406 A HA -0.084 4.236 4.320 0.000 0.000 0.218 406 A C 2.271 179.809 177.584 -0.076 0.000 1.169 406 A CA 1.509 53.483 52.037 -0.106 0.000 0.635 406 A CB -1.174 17.917 19.000 0.151 0.000 0.810 406 A HN 0.573 nan 8.150 nan 0.000 0.445 407 L N 0.239 121.489 121.223 0.045 0.000 1.988 407 L HA -0.065 4.275 4.340 0.000 0.000 0.207 407 L C -0.424 176.510 176.870 0.107 0.000 1.071 407 L CA 1.806 56.736 54.840 0.151 0.000 0.744 407 L CB -0.706 41.404 42.059 0.085 0.000 0.893 407 L HN 0.245 nan 8.230 nan 0.000 0.433 408 P HA -0.151 nan 4.420 nan 0.000 0.217 408 P C 1.243 178.444 177.300 -0.165 0.000 1.150 408 P CA 1.976 65.046 63.100 -0.049 0.000 0.832 408 P CB -0.076 31.592 31.700 -0.054 0.000 0.787 409 A N 0.623 123.200 122.820 -0.405 0.000 1.969 409 A HA 0.003 4.323 4.320 0.000 0.000 0.218 409 A C 2.477 179.843 177.584 -0.363 0.000 1.169 409 A CA 1.796 53.492 52.037 -0.569 0.000 0.635 409 A CB -1.474 16.695 19.000 -1.384 0.000 0.810 409 A HN 0.218 nan 8.150 nan 0.000 0.445 410 A N -0.029 122.648 122.820 -0.239 0.000 2.019 410 A HA -0.079 4.241 4.320 0.000 0.000 0.219 410 A C 2.049 179.564 177.584 -0.114 0.000 1.164 410 A CA 1.501 53.443 52.037 -0.158 0.000 0.644 410 A CB -0.541 18.389 19.000 -0.116 0.000 0.805 410 A HN 0.530 nan 8.150 nan 0.000 0.449 411 I N -0.760 119.794 120.570 -0.026 0.000 2.233 411 I HA -0.119 4.051 4.170 0.000 0.000 0.243 411 I C 2.729 178.849 176.117 0.005 0.000 1.093 411 I CA 0.978 62.296 61.300 0.030 0.000 1.380 411 I CB -0.683 37.389 38.000 0.120 0.000 1.067 411 I HN 0.375 nan 8.210 nan 0.000 0.413 412 G N 0.785 109.560 108.800 -0.041 0.000 2.421 412 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 412 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 412 G C 1.722 176.650 174.900 0.047 0.000 1.171 412 G CA 0.923 46.025 45.100 0.003 0.000 0.775 412 G HN 0.220 nan 8.290 nan 0.000 0.543 413 V N 0.647 120.500 119.914 -0.101 0.000 2.332 413 V HA -0.235 3.885 4.120 0.000 0.000 0.248 413 V C 2.764 178.832 176.094 -0.044 0.000 1.055 413 V CA 2.333 64.556 62.300 -0.128 0.000 1.038 413 V CB -0.470 31.217 31.823 -0.227 0.000 0.651 413 V HN 0.457 nan 8.190 nan 0.000 0.450 414 Q N -0.314 119.461 119.800 -0.042 0.000 2.167 414 Q HA -0.153 4.188 4.340 0.000 0.000 0.202 414 Q C 1.900 177.918 176.000 0.031 0.000 0.970 414 Q CA 1.526 57.311 55.803 -0.029 0.000 0.855 414 Q CB -0.450 28.252 28.738 -0.061 0.000 0.911 414 Q HN 0.533 nan 8.270 nan 0.000 0.438 415 L N -0.020 121.256 121.223 0.089 0.000 2.046 415 L HA -0.011 4.329 4.340 0.000 0.000 0.208 415 L C 2.026 179.041 176.870 0.242 0.000 1.077 415 L CA 2.134 57.071 54.840 0.161 0.000 0.747 415 L CB -0.925 41.252 42.059 0.197 0.000 0.896 415 L HN 0.259 nan 8.230 nan 0.000 0.432 416 A N -1.695 121.256 122.820 0.219 0.000 2.014 416 A HA -0.037 4.283 4.320 0.000 0.000 0.218 416 A C 1.093 178.668 177.584 -0.015 0.000 1.163 416 A CA 1.072 53.114 52.037 0.009 0.000 0.652 416 A CB -0.194 18.646 19.000 -0.266 0.000 0.808 416 A HN 0.438 nan 8.150 nan 0.000 0.449 417 E N -0.706 119.495 120.200 0.002 0.000 3.651 417 E HA 0.162 4.513 4.350 0.000 0.000 0.220 417 E C -2.241 174.354 176.600 -0.008 0.000 1.222 417 E CA -1.528 54.865 56.400 -0.012 0.000 1.114 417 E CB 0.921 30.609 29.700 -0.020 0.000 1.278 417 E HN 0.347 nan 8.360 nan 0.000 0.412 418 P HA -0.094 nan 4.420 nan 0.000 0.225 418 P C 0.566 177.858 177.300 -0.012 0.000 1.148 418 P CA 0.977 64.078 63.100 0.003 0.000 0.779 418 P CB 0.527 32.236 31.700 0.015 0.000 0.780 419 E N -0.852 119.338 120.200 -0.017 0.000 2.481 419 E HA 0.121 4.471 4.350 0.000 0.000 0.198 419 E C 0.398 176.978 176.600 -0.034 0.000 1.027 419 E CA -0.117 56.269 56.400 -0.022 0.000 0.900 419 E CB 0.282 29.971 29.700 -0.018 0.000 0.993 419 E HN 0.273 nan 8.360 nan 0.000 0.482 420 R N 1.519 121.994 120.500 -0.041 0.000 2.393 420 R HA 0.205 4.545 4.340 0.000 0.000 0.315 420 R C -0.503 175.746 176.300 -0.083 0.000 0.952 420 R CA -0.785 55.278 56.100 -0.061 0.000 0.842 420 R CB 1.301 31.567 30.300 -0.056 0.000 1.163 420 R HN -0.094 nan 8.270 nan 0.000 0.450 421 Q N 2.585 122.324 119.800 -0.103 0.000 2.244 421 Q HA 0.057 4.397 4.340 0.000 0.000 0.276 421 Q C -0.798 175.092 176.000 -0.183 0.000 1.122 421 Q CA 0.301 56.028 55.803 -0.128 0.000 0.920 421 Q CB 0.627 29.293 28.738 -0.121 0.000 1.186 421 Q HN 0.378 nan 8.270 nan 0.000 0.393 422 V N 6.779 126.588 119.914 -0.175 0.000 2.509 422 V HA 0.378 4.498 4.120 0.000 0.000 0.284 422 V C 0.223 176.175 176.094 -0.237 0.000 1.047 422 V CA -0.363 61.816 62.300 -0.202 0.000 0.952 422 V CB 1.060 32.777 31.823 -0.176 0.000 0.988 422 V HN 0.708 nan 8.190 nan 0.000 0.469 423 I N 4.197 124.635 120.570 -0.220 0.000 2.468 423 I HA 0.589 4.759 4.170 0.000 0.000 0.284 423 I C 0.094 176.195 176.117 -0.026 0.000 1.038 423 I CA -0.487 60.735 61.300 -0.131 0.000 1.083 423 I CB 1.722 39.691 38.000 -0.052 0.000 1.223 423 I HN 0.641 nan 8.210 nan 0.000 0.443 424 A N 6.625 129.402 122.820 -0.072 0.000 2.260 424 A HA 0.705 5.025 4.320 0.000 0.000 0.314 424 A C -0.438 177.200 177.584 0.089 0.000 1.257 424 A CA -0.439 51.614 52.037 0.027 0.000 0.871 424 A CB 0.845 19.866 19.000 0.035 0.000 1.166 424 A HN 0.455 nan 8.150 nan 0.000 0.522 425 V N 4.973 124.953 119.914 0.110 0.000 2.333 425 V HA 0.372 4.492 4.120 0.000 0.000 0.274 425 V C -0.241 175.900 176.094 0.079 0.000 1.028 425 V CA 0.082 62.442 62.300 0.101 0.000 0.851 425 V CB 0.312 32.242 31.823 0.178 0.000 1.000 425 V HN 0.728 nan 8.190 nan 0.000 0.456 426 I N 3.697 124.302 120.570 0.059 0.000 2.498 426 I HA 0.567 4.737 4.170 0.000 0.000 0.290 426 I C 0.924 177.050 176.117 0.014 0.000 1.032 426 I CA -0.473 60.865 61.300 0.063 0.000 1.073 426 I CB 2.079 40.133 38.000 0.091 0.000 1.251 426 I HN 0.658 nan 8.210 nan 0.000 0.426 427 G N 2.903 111.740 108.800 0.061 0.000 2.606 427 G HA2 0.065 4.025 3.960 0.000 0.000 0.252 427 G HA3 0.065 4.025 3.960 0.000 0.000 0.252 427 G C 0.787 175.691 174.900 0.006 0.000 1.206 427 G CA -0.268 44.861 45.100 0.048 0.000 0.861 427 G HN 0.809 nan 8.290 nan 0.000 0.561 428 D N 0.137 120.521 120.400 -0.027 0.000 2.218 428 D HA -0.093 4.547 4.640 0.000 0.000 0.204 428 D C 2.091 178.540 176.300 0.247 0.000 0.976 428 D CA 1.242 55.224 54.000 -0.031 0.000 0.853 428 D CB -0.730 40.136 40.800 0.109 0.000 0.939 428 D HN 0.455 nan 8.370 nan 0.000 0.481 429 G N 0.646 109.617 108.800 0.286 0.000 2.434 429 G HA2 -0.227 3.733 3.960 0.000 0.000 0.214 429 G HA3 -0.227 3.733 3.960 0.000 0.000 0.214 429 G C 1.850 177.084 174.900 0.555 0.000 1.202 429 G CA 1.049 46.441 45.100 0.486 0.000 0.788 429 G HN 0.335 nan 8.290 nan 0.000 0.539 430 S N 1.243 117.230 115.700 0.479 0.000 2.400 430 S HA -0.075 4.395 4.470 0.000 0.000 0.232 430 S C 2.682 177.546 174.600 0.441 0.000 1.025 430 S CA 1.176 59.666 58.200 0.482 0.000 0.993 430 S CB -0.361 63.008 63.200 0.281 0.000 0.808 430 S HN 0.595 nan 8.310 nan 0.000 0.478 431 A N 2.439 125.431 122.820 0.286 0.000 2.019 431 A HA -0.128 4.192 4.320 0.000 0.000 0.219 431 A C 1.864 179.615 177.584 0.278 0.000 1.164 431 A CA 1.247 53.415 52.037 0.219 0.000 0.644 431 A CB -0.448 18.598 19.000 0.077 0.000 0.805 431 A HN 0.499 nan 8.150 nan 0.000 0.449 432 N N -1.178 117.693 118.700 0.284 0.000 2.300 432 N HA -0.115 4.625 4.740 0.000 0.000 0.179 432 N C 1.376 176.937 175.510 0.086 0.000 1.016 432 N CA 1.264 54.402 53.050 0.147 0.000 0.876 432 N CB -0.460 38.046 38.487 0.032 0.000 0.979 432 N HN 0.642 nan 8.380 nan 0.000 0.432 433 Y N 1.347 121.735 120.300 0.148 0.000 2.165 433 Y HA -0.062 4.488 4.550 0.000 0.000 0.286 433 Y C 1.449 177.403 175.900 0.090 0.000 1.155 433 Y CA 0.958 59.129 58.100 0.117 0.000 1.164 433 Y CB -0.023 38.509 38.460 0.120 0.000 0.978 433 Y HN -0.084 nan 8.280 nan 0.000 0.513 434 S N -0.719 115.115 115.700 0.223 0.000 2.668 434 S HA 0.144 4.614 4.470 0.000 0.000 0.244 434 S C 1.105 175.745 174.600 0.066 0.000 1.140 434 S CA -0.342 57.930 58.200 0.121 0.000 1.134 434 S CB -0.092 63.174 63.200 0.110 0.000 0.954 434 S HN 0.231 nan 8.310 nan 0.000 0.490 435 I N 2.783 123.404 120.570 0.086 0.000 2.264 435 I HA -0.181 3.989 4.170 0.000 0.000 0.248 435 I C 2.316 178.414 176.117 -0.032 0.000 1.111 435 I CA 1.788 63.137 61.300 0.081 0.000 1.382 435 I CB -0.277 37.822 38.000 0.166 0.000 1.060 435 I HN 0.474 nan 8.210 nan 0.000 0.418 436 S N 0.636 116.270 115.700 -0.110 0.000 2.500 436 S HA -0.058 4.412 4.470 0.000 0.000 0.239 436 S C 2.176 176.533 174.600 -0.406 0.000 0.989 436 S CA 0.660 58.540 58.200 -0.534 0.000 0.951 436 S CB -0.964 62.022 63.200 -0.357 0.000 0.759 436 S HN 0.506 nan 8.310 nan 0.000 0.523 437 A N 2.108 124.832 122.820 -0.160 0.000 2.024 437 A HA 0.097 4.417 4.320 0.000 0.000 0.220 437 A C 2.172 179.727 177.584 -0.048 0.000 1.164 437 A CA 1.237 53.243 52.037 -0.052 0.000 0.643 437 A CB -0.851 18.143 19.000 -0.009 0.000 0.806 437 A HN 0.574 nan 8.150 nan 0.000 0.451 438 L N -2.549 118.577 121.223 -0.160 0.000 2.089 438 L HA -0.261 4.079 4.340 0.000 0.000 0.213 438 L C 2.451 179.345 176.870 0.040 0.000 1.079 438 L CA 1.854 56.614 54.840 -0.133 0.000 0.758 438 L CB -0.471 41.539 42.059 -0.082 0.000 0.891 438 L HN 0.788 nan 8.230 nan 0.000 0.433 439 W N 0.759 121.920 121.300 -0.232 0.000 2.363 439 W HA -0.210 4.450 4.660 0.000 0.000 0.296 439 W C 2.496 179.020 176.519 0.008 0.000 1.212 439 W CA 2.041 59.335 57.345 -0.084 0.000 1.260 439 W CB -0.251 29.082 29.460 -0.211 0.000 1.131 439 W HN -0.018 nan 8.180 nan 0.000 0.530 440 T N 0.491 115.176 114.554 0.218 0.000 2.708 440 T HA -0.214 4.136 4.350 0.000 0.000 0.266 440 T C 1.985 176.760 174.700 0.126 0.000 1.037 440 T CA 2.056 64.273 62.100 0.196 0.000 1.146 440 T CB -0.980 68.070 68.868 0.304 0.000 0.865 440 T HN 0.241 nan 8.240 nan 0.000 0.435 441 A N 1.560 124.457 122.820 0.129 0.000 1.883 441 A HA 0.077 4.397 4.320 0.000 0.000 0.217 441 A C 2.653 180.262 177.584 0.041 0.000 1.186 441 A CA 2.012 54.136 52.037 0.144 0.000 0.624 441 A CB -1.195 17.976 19.000 0.286 0.000 0.822 441 A HN 0.517 nan 8.150 nan 0.000 0.444 442 A N -1.255 121.539 122.820 -0.044 0.000 1.858 442 A HA -0.193 4.127 4.320 0.000 0.000 0.216 442 A C 2.144 179.561 177.584 -0.278 0.000 1.190 442 A CA 1.694 53.656 52.037 -0.126 0.000 0.617 442 A CB -0.527 18.396 19.000 -0.129 0.000 0.827 442 A HN 0.503 nan 8.150 nan 0.000 0.443 443 Q N -1.468 117.998 119.800 -0.556 0.000 2.119 443 Q HA -0.139 4.201 4.340 0.000 0.000 0.201 443 Q C 1.318 176.931 176.000 -0.644 0.000 0.972 443 Q CA 1.473 56.802 55.803 -0.791 0.000 0.847 443 Q CB -0.295 27.591 28.738 -1.419 0.000 0.903 443 Q HN 0.874 nan 8.270 nan 0.000 0.433 444 Y N -0.101 120.075 120.300 -0.207 0.000 2.457 444 Y HA 0.107 4.657 4.550 0.000 0.000 0.263 444 Y C 0.452 176.309 175.900 -0.072 0.000 1.164 444 Y CA -0.290 57.741 58.100 -0.114 0.000 1.274 444 Y CB 0.048 38.460 38.460 -0.080 0.000 1.097 444 Y HN 0.131 nan 8.280 nan 0.000 0.523 445 N N 1.082 119.789 118.700 0.011 0.000 2.714 445 N HA -0.224 4.516 4.740 0.000 0.000 0.253 445 N C -1.126 174.412 175.510 0.047 0.000 1.024 445 N CA 0.309 53.370 53.050 0.017 0.000 0.726 445 N CB -1.333 37.152 38.487 -0.003 0.000 0.908 445 N HN 0.355 nan 8.380 nan 0.000 0.542 446 I N 1.121 121.734 120.570 0.072 0.000 2.297 446 I HA 0.237 4.407 4.170 0.000 0.000 0.291 446 I C -1.460 174.679 176.117 0.037 0.000 1.033 446 I CA -1.882 59.455 61.300 0.060 0.000 1.253 446 I CB 1.370 39.419 38.000 0.081 0.000 1.396 446 I HN 0.057 nan 8.210 nan 0.000 0.476 447 P HA 0.074 nan 4.420 nan 0.000 0.235 447 P C -0.058 177.189 177.300 -0.089 0.000 1.725 447 P CA -0.237 62.851 63.100 -0.020 0.000 0.894 447 P CB -0.433 31.255 31.700 -0.020 0.000 1.704 448 T N 1.326 115.789 114.554 -0.152 0.000 2.932 448 T HA 0.170 4.520 4.350 0.000 0.000 0.312 448 T C 0.768 175.171 174.700 -0.496 0.000 1.071 448 T CA 0.563 62.428 62.100 -0.393 0.000 1.128 448 T CB 0.544 69.041 68.868 -0.618 0.000 0.984 448 T HN 0.085 nan 8.240 nan 0.000 0.549 449 I N 2.711 122.989 120.570 -0.487 0.000 2.377 449 I HA 0.383 4.553 4.170 0.000 0.000 0.293 449 I C -0.787 175.054 176.117 -0.460 0.000 0.987 449 I CA -0.626 60.483 61.300 -0.318 0.000 1.185 449 I CB 1.000 38.912 38.000 -0.146 0.000 1.341 449 I HN 0.491 nan 8.210 nan 0.000 0.455 450 F N 5.677 125.635 119.950 0.013 0.000 2.426 450 F HA 0.454 4.981 4.527 0.000 0.000 0.348 450 F C -0.078 175.719 175.800 -0.004 0.000 1.124 450 F CA -0.866 57.140 58.000 0.009 0.000 1.008 450 F CB 1.537 40.548 39.000 0.019 0.000 1.139 450 F HN -0.018 nan 8.300 nan 0.000 0.452 451 V N 5.551 125.543 119.914 0.131 0.000 2.334 451 V HA 0.347 4.467 4.120 0.000 0.000 0.281 451 V C -0.160 175.935 176.094 0.001 0.000 1.016 451 V CA -0.629 61.699 62.300 0.046 0.000 0.832 451 V CB 1.070 32.897 31.823 0.008 0.000 0.999 451 V HN 0.421 nan 8.190 nan 0.000 0.439 452 I N 5.902 126.435 120.570 -0.062 0.000 2.304 452 I HA 0.369 4.539 4.170 0.000 0.000 0.291 452 I C 0.191 176.200 176.117 -0.181 0.000 1.018 452 I CA -0.605 60.577 61.300 -0.196 0.000 1.260 452 I CB 1.455 39.175 38.000 -0.468 0.000 1.390 452 I HN 0.450 nan 8.210 nan 0.000 0.475 453 M N 5.628 125.141 119.600 -0.146 0.000 2.319 453 M HA 0.150 4.630 4.480 0.000 0.000 0.343 453 M C 0.130 176.374 176.300 -0.094 0.000 1.364 453 M CA -0.150 55.087 55.300 -0.104 0.000 1.292 453 M CB -0.575 31.986 32.600 -0.066 0.000 1.432 453 M HN 0.356 nan 8.290 nan 0.000 0.448 454 N N 3.797 122.451 118.700 -0.077 0.000 2.500 454 N HA 0.131 4.872 4.740 0.000 0.000 0.236 454 N C 0.120 175.639 175.510 0.016 0.000 1.022 454 N CA -0.058 52.984 53.050 -0.014 0.000 0.935 454 N CB 0.398 38.916 38.487 0.050 0.000 1.147 454 N HN 0.475 nan 8.380 nan 0.000 0.512 455 N N 2.396 121.114 118.700 0.030 0.000 2.177 455 N HA 0.173 4.913 4.740 0.000 0.000 0.218 455 N C 0.940 176.473 175.510 0.039 0.000 1.182 455 N CA 0.222 53.289 53.050 0.029 0.000 0.882 455 N CB 0.114 38.618 38.487 0.029 0.000 1.052 455 N HN 0.475 nan 8.380 nan 0.000 0.519 456 G N -1.272 107.558 108.800 0.050 0.000 2.179 456 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 456 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 456 G C 0.009 174.906 174.900 -0.005 0.000 0.977 456 G CA 0.727 45.846 45.100 0.032 0.000 0.641 456 G HN 0.790 nan 8.290 nan 0.000 0.533 457 T N -1.562 112.997 114.554 0.009 0.000 2.843 457 T HA 0.540 4.890 4.350 0.000 0.000 0.302 457 T C -1.291 173.457 174.700 0.079 0.000 1.232 457 T CA -0.549 61.548 62.100 -0.004 0.000 1.009 457 T CB 0.910 69.812 68.868 0.056 0.000 1.254 457 T HN 0.292 nan 8.240 nan 0.000 0.504 458 Y N 2.487 122.865 120.300 0.129 0.000 2.568 458 Y HA 0.322 4.872 4.550 0.000 0.000 0.338 458 Y C 1.625 177.611 175.900 0.144 0.000 1.245 458 Y CA -0.578 57.614 58.100 0.153 0.000 1.667 458 Y CB -0.110 38.453 38.460 0.171 0.000 1.568 458 Y HN 0.828 nan 8.280 nan 0.000 0.471 459 G N 1.391 110.348 108.800 0.262 0.000 2.422 459 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 459 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 459 G C 1.775 176.780 174.900 0.175 0.000 1.146 459 G CA 0.881 46.093 45.100 0.187 0.000 0.769 459 G HN 0.632 nan 8.290 nan 0.000 0.547 460 A N 0.392 123.304 122.820 0.152 0.000 1.969 460 A HA 0.164 4.484 4.320 0.000 0.000 0.218 460 A C 2.395 180.038 177.584 0.099 0.000 1.169 460 A CA 1.034 53.090 52.037 0.031 0.000 0.635 460 A CB -0.275 18.745 19.000 0.033 0.000 0.810 460 A HN 0.365 nan 8.150 nan 0.000 0.445 461 L N -1.350 120.037 121.223 0.272 0.000 2.109 461 L HA -0.112 4.228 4.340 0.000 0.000 0.207 461 L C 2.792 179.832 176.870 0.283 0.000 1.086 461 L CA 1.018 56.074 54.840 0.359 0.000 0.760 461 L CB -0.501 41.742 42.059 0.305 0.000 0.910 461 L HN 0.346 nan 8.230 nan 0.000 0.437 462 R N -0.838 119.803 120.500 0.235 0.000 2.096 462 R HA -0.227 4.113 4.340 0.000 0.000 0.235 462 R C 2.102 178.501 176.300 0.165 0.000 1.127 462 R CA 1.958 58.167 56.100 0.182 0.000 0.968 462 R CB -0.410 29.990 30.300 0.166 0.000 0.861 462 R HN 0.385 nan 8.270 nan 0.000 0.440 463 W N 0.687 121.976 121.300 -0.017 0.000 2.354 463 W HA -0.178 4.482 4.660 0.000 0.000 0.315 463 W C 1.621 178.125 176.519 -0.026 0.000 1.206 463 W CA 1.379 58.676 57.345 -0.080 0.000 1.290 463 W CB -0.395 28.940 29.460 -0.208 0.000 1.152 463 W HN -0.072 nan 8.180 nan 0.000 0.489 464 F N 0.673 120.805 119.950 0.303 0.000 2.202 464 F HA -0.195 4.332 4.527 0.000 0.000 0.301 464 F C 2.465 178.232 175.800 -0.054 0.000 1.082 464 F CA 1.660 59.723 58.000 0.106 0.000 1.313 464 F CB -1.651 37.491 39.000 0.236 0.000 1.024 464 F HN -0.004 nan 8.300 nan 0.000 0.495 465 A N 0.167 123.077 122.820 0.149 0.000 1.929 465 A HA 0.036 4.356 4.320 0.000 0.000 0.216 465 A C 2.620 180.184 177.584 -0.034 0.000 1.176 465 A CA 1.518 53.597 52.037 0.070 0.000 0.628 465 A CB -1.500 17.554 19.000 0.090 0.000 0.816 465 A HN 0.384 nan 8.150 nan 0.000 0.444 466 G N 0.095 108.822 108.800 -0.122 0.000 2.421 466 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 466 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 466 G C 1.650 176.390 174.900 -0.267 0.000 1.171 466 G CA 1.987 46.963 45.100 -0.207 0.000 0.775 466 G HN 1.024 nan 8.290 nan 0.000 0.543 467 V N -0.810 118.858 119.914 -0.410 0.000 2.490 467 V HA 0.022 4.142 4.120 0.000 0.000 0.250 467 V C 2.570 178.583 176.094 -0.135 0.000 1.061 467 V CA 1.589 63.693 62.300 -0.328 0.000 1.064 467 V CB -0.445 31.132 31.823 -0.410 0.000 0.670 467 V HN 0.294 nan 8.190 nan 0.000 0.461 468 L N -0.314 120.861 121.223 -0.081 0.000 2.492 468 L HA 0.213 4.553 4.340 0.000 0.000 0.223 468 L C 1.681 178.526 176.870 -0.041 0.000 1.132 468 L CA 1.145 55.961 54.840 -0.040 0.000 0.850 468 L CB -0.544 41.508 42.059 -0.012 0.000 0.966 468 L HN 0.506 nan 8.230 nan 0.000 0.454 469 E N -0.048 120.120 120.200 -0.054 0.000 2.637 469 E HA -0.233 4.117 4.350 0.000 0.000 0.265 469 E C 0.201 176.788 176.600 -0.020 0.000 1.073 469 E CA 0.163 56.539 56.400 -0.040 0.000 0.778 469 E CB -0.541 29.138 29.700 -0.034 0.000 1.362 469 E HN 0.485 nan 8.360 nan 0.000 0.413 470 A N 1.520 124.333 122.820 -0.011 0.000 2.350 470 A HA 0.311 4.631 4.320 0.000 0.000 0.293 470 A C 0.196 177.788 177.584 0.014 0.000 1.231 470 A CA 0.003 52.043 52.037 0.005 0.000 0.883 470 A CB 0.352 19.363 19.000 0.018 0.000 1.133 470 A HN 0.292 nan 8.150 nan 0.000 0.533 471 E N 1.729 121.936 120.200 0.012 0.000 2.250 471 E HA 0.267 4.617 4.350 0.000 0.000 0.265 471 E C -0.218 176.396 176.600 0.023 0.000 1.033 471 E CA -1.006 55.404 56.400 0.017 0.000 0.888 471 E CB 0.528 30.235 29.700 0.011 0.000 1.151 471 E HN 0.685 nan 8.360 nan 0.000 0.412 472 N N -0.216 118.499 118.700 0.027 0.000 2.727 472 N HA -0.156 4.584 4.740 0.000 0.000 0.249 472 N C -1.086 174.446 175.510 0.037 0.000 1.048 472 N CA 0.388 53.455 53.050 0.029 0.000 0.714 472 N CB -1.198 37.302 38.487 0.022 0.000 0.959 472 N HN 0.122 nan 8.380 nan 0.000 0.544 473 V N 1.831 121.774 119.914 0.047 0.000 2.461 473 V HA 0.304 4.424 4.120 0.000 0.000 0.275 473 V C -0.867 175.268 176.094 0.069 0.000 1.047 473 V CA -0.843 61.493 62.300 0.061 0.000 0.955 473 V CB 1.203 33.072 31.823 0.077 0.000 0.988 473 V HN 0.150 nan 8.190 nan 0.000 0.471 474 P HA 0.443 nan 4.420 nan 0.000 0.280 474 P C 0.579 177.940 177.300 0.102 0.000 1.272 474 P CA 0.187 63.330 63.100 0.071 0.000 0.819 474 P CB 1.221 32.956 31.700 0.058 0.000 1.122 475 G N -0.144 108.717 108.800 0.101 0.000 2.143 475 G HA2 -0.227 3.733 3.960 0.000 0.000 0.248 475 G HA3 -0.227 3.733 3.960 0.000 0.000 0.248 475 G C 0.531 175.563 174.900 0.220 0.000 0.991 475 G CA 0.337 45.522 45.100 0.141 0.000 0.689 475 G HN 0.474 nan 8.290 nan 0.000 0.522 476 L N -0.545 120.786 121.223 0.180 0.000 2.529 476 L HA 0.268 4.608 4.340 0.000 0.000 0.223 476 L C 0.298 177.205 176.870 0.061 0.000 1.113 476 L CA 0.134 55.119 54.840 0.242 0.000 0.861 476 L CB 0.011 42.192 42.059 0.203 0.000 1.012 476 L HN 0.088 nan 8.230 nan 0.000 0.461 477 D N 0.378 120.763 120.400 -0.025 0.000 2.185 477 D HA 0.328 4.968 4.640 0.000 0.000 0.247 477 D C 0.061 176.249 176.300 -0.186 0.000 1.027 477 D CA -0.065 53.879 54.000 -0.094 0.000 0.861 477 D CB 2.874 43.659 40.800 -0.026 0.000 1.202 477 D HN -0.192 nan 8.370 nan 0.000 0.453 478 V N -0.605 119.182 119.914 -0.211 0.000 2.562 478 V HA 0.358 4.478 4.120 0.000 0.000 0.274 478 V C -2.498 173.547 176.094 -0.082 0.000 1.075 478 V CA -1.396 60.785 62.300 -0.197 0.000 1.204 478 V CB 0.386 32.024 31.823 -0.309 0.000 1.478 478 V HN 0.313 nan 8.190 nan 0.000 0.622 479 P HA 0.402 nan 4.420 nan 0.000 0.274 479 P C 0.862 178.134 177.300 -0.046 0.000 1.246 479 P CA 1.200 64.280 63.100 -0.033 0.000 0.795 479 P CB 1.297 32.982 31.700 -0.026 0.000 1.006 480 G N 0.382 109.156 108.800 -0.044 0.000 2.149 480 G HA2 -0.177 3.783 3.960 0.000 0.000 0.235 480 G HA3 -0.177 3.783 3.960 0.000 0.000 0.235 480 G C -0.154 174.671 174.900 -0.124 0.000 1.018 480 G CA -0.216 44.843 45.100 -0.069 0.000 0.728 480 G HN 0.490 nan 8.290 nan 0.000 0.508 481 I N 0.649 121.113 120.570 -0.175 0.000 2.378 481 I HA 0.340 4.510 4.170 0.000 0.000 0.291 481 I C -0.662 175.181 176.117 -0.456 0.000 0.992 481 I CA -0.831 60.230 61.300 -0.398 0.000 1.154 481 I CB 1.784 39.421 38.000 -0.605 0.000 1.315 481 I HN 0.041 nan 8.210 nan 0.000 0.448 482 D N 6.185 126.340 120.400 -0.408 0.000 2.467 482 D HA 0.224 4.864 4.640 0.000 0.000 0.220 482 D C 0.457 176.582 176.300 -0.291 0.000 1.103 482 D CA -0.350 53.501 54.000 -0.249 0.000 0.886 482 D CB 0.624 41.345 40.800 -0.132 0.000 1.025 482 D HN 0.286 nan 8.370 nan 0.000 0.514 483 F N 2.136 122.089 119.950 0.005 0.000 2.325 483 F HA 0.042 4.569 4.527 0.000 0.000 0.299 483 F C 2.276 178.084 175.800 0.013 0.000 1.090 483 F CA 0.527 58.535 58.000 0.013 0.000 1.392 483 F CB 0.005 39.019 39.000 0.023 0.000 1.053 483 F HN 0.262 nan 8.300 nan 0.000 0.521 484 R N 0.113 120.697 120.500 0.141 0.000 2.092 484 R HA -0.050 4.290 4.340 0.000 0.000 0.231 484 R C 2.443 178.766 176.300 0.038 0.000 1.119 484 R CA 1.142 57.295 56.100 0.088 0.000 0.970 484 R CB -0.686 29.654 30.300 0.066 0.000 0.864 484 R HN 0.251 nan 8.270 nan 0.000 0.440 485 A N 1.087 123.904 122.820 -0.005 0.000 1.929 485 A HA -0.060 4.260 4.320 0.000 0.000 0.216 485 A C 2.130 179.680 177.584 -0.056 0.000 1.176 485 A CA 0.954 52.967 52.037 -0.041 0.000 0.628 485 A CB -0.424 18.536 19.000 -0.068 0.000 0.816 485 A HN 0.148 nan 8.150 nan 0.000 0.444 486 L N -0.691 120.500 121.223 -0.053 0.000 2.046 486 L HA -0.191 4.149 4.340 0.000 0.000 0.208 486 L C 3.116 180.006 176.870 0.034 0.000 1.077 486 L CA 1.098 55.916 54.840 -0.035 0.000 0.747 486 L CB -0.652 41.419 42.059 0.020 0.000 0.896 486 L HN 0.427 nan 8.230 nan 0.000 0.432 487 A N 0.216 123.086 122.820 0.084 0.000 1.883 487 A HA -0.277 4.043 4.320 0.000 0.000 0.217 487 A C 2.410 180.039 177.584 0.076 0.000 1.186 487 A CA 2.113 54.211 52.037 0.102 0.000 0.624 487 A CB -0.526 18.534 19.000 0.101 0.000 0.822 487 A HN 0.339 nan 8.150 nan 0.000 0.444 488 K N -0.663 119.758 120.400 0.035 0.000 2.063 488 K HA -0.150 4.170 4.320 0.000 0.000 0.208 488 K C 2.059 178.649 176.600 -0.018 0.000 1.048 488 K CA 1.518 57.814 56.287 0.014 0.000 0.928 488 K CB -0.649 31.849 32.500 -0.004 0.000 0.713 488 K HN 0.398 nan 8.250 nan 0.000 0.442 489 G N -0.026 108.716 108.800 -0.097 0.000 2.505 489 G HA2 -0.260 3.700 3.960 0.000 0.000 0.220 489 G HA3 -0.260 3.700 3.960 0.000 0.000 0.220 489 G C 0.805 175.562 174.900 -0.238 0.000 1.145 489 G CA 1.190 46.138 45.100 -0.253 0.000 0.761 489 G HN 0.390 nan 8.290 nan 0.000 0.571 490 Y N 0.213 120.576 120.300 0.106 0.000 2.524 490 Y HA 0.418 4.968 4.550 0.000 0.000 0.266 490 Y C 1.854 177.846 175.900 0.153 0.000 1.180 490 Y CA -0.609 57.613 58.100 0.204 0.000 1.244 490 Y CB 0.335 38.922 38.460 0.211 0.000 1.125 490 Y HN 0.333 nan 8.280 nan 0.000 0.524 491 G N 0.071 108.982 108.800 0.186 0.000 2.132 491 G HA2 -0.224 3.736 3.960 0.000 0.000 0.234 491 G HA3 -0.224 3.736 3.960 0.000 0.000 0.234 491 G C -0.403 174.542 174.900 0.075 0.000 0.989 491 G CA 0.141 45.302 45.100 0.101 0.000 0.676 491 G HN 0.108 nan 8.290 nan 0.000 0.522 492 V N 1.080 121.054 119.914 0.101 0.000 2.435 492 V HA 0.481 4.601 4.120 0.000 0.000 0.290 492 V C 0.850 176.996 176.094 0.087 0.000 1.030 492 V CA -0.549 61.810 62.300 0.099 0.000 0.881 492 V CB 1.807 33.703 31.823 0.122 0.000 0.983 492 V HN 0.533 nan 8.190 nan 0.000 0.445 493 Q N 2.822 122.670 119.800 0.079 0.000 2.315 493 Q HA 0.424 4.764 4.340 0.000 0.000 0.289 493 Q C -0.270 175.780 176.000 0.083 0.000 1.044 493 Q CA 0.176 56.019 55.803 0.067 0.000 0.920 493 Q CB 0.781 29.553 28.738 0.057 0.000 1.214 493 Q HN 0.948 nan 8.270 nan 0.000 0.392 494 A N 4.733 127.595 122.820 0.070 0.000 2.414 494 A HA 0.785 5.105 4.320 0.000 0.000 0.306 494 A C -1.467 176.155 177.584 0.062 0.000 1.054 494 A CA -0.731 51.353 52.037 0.078 0.000 0.724 494 A CB 1.229 20.276 19.000 0.078 0.000 1.267 494 A HN 0.734 nan 8.150 nan 0.000 0.418 495 L N 0.509 121.771 121.223 0.065 0.000 2.376 495 L HA 0.670 5.011 4.340 0.000 0.000 0.258 495 L C -0.387 176.514 176.870 0.052 0.000 1.013 495 L CA -0.774 54.096 54.840 0.049 0.000 0.822 495 L CB 2.643 44.727 42.059 0.042 0.000 1.388 495 L HN 0.784 nan 8.230 nan 0.000 0.413 496 K N 0.861 121.285 120.400 0.040 0.000 2.378 496 K HA 0.826 5.146 4.320 0.000 0.000 0.252 496 K C -1.459 175.155 176.600 0.023 0.000 0.931 496 K CA -0.466 55.844 56.287 0.039 0.000 0.794 496 K CB 2.214 34.738 32.500 0.040 0.000 1.181 496 K HN 0.679 nan 8.250 nan 0.000 0.425 497 A N 3.432 126.262 122.820 0.016 0.000 2.340 497 A HA 0.315 4.635 4.320 0.000 0.000 0.297 497 A C -0.694 176.889 177.584 -0.001 0.000 1.195 497 A CA -0.605 51.435 52.037 0.004 0.000 0.769 497 A CB 0.686 19.683 19.000 -0.006 0.000 1.163 497 A HN 0.850 nan 8.150 nan 0.000 0.472 498 D N 1.012 121.412 120.400 0.000 0.000 2.367 498 D HA 0.068 4.708 4.640 0.000 0.000 0.207 498 D C 0.222 176.515 176.300 -0.012 0.000 1.034 498 D CA 0.972 54.969 54.000 -0.004 0.000 0.861 498 D CB 0.406 41.207 40.800 0.001 0.000 0.943 498 D HN 0.785 nan 8.370 nan 0.000 0.515 499 N N -1.199 117.495 118.700 -0.010 0.000 3.243 499 N HA 0.086 4.826 4.740 0.000 0.000 0.280 499 N C 0.201 175.707 175.510 -0.008 0.000 1.545 499 N CA -0.726 52.319 53.050 -0.010 0.000 0.854 499 N CB 0.889 39.374 38.487 -0.003 0.000 1.612 499 N HN -0.221 nan 8.380 nan 0.000 0.577 500 L N 0.027 121.249 121.223 -0.002 0.000 2.093 500 L HA 0.139 4.479 4.340 0.000 0.000 0.208 500 L C 2.029 178.900 176.870 0.001 0.000 1.085 500 L CA 1.861 56.701 54.840 -0.000 0.000 0.755 500 L CB -0.937 41.127 42.059 0.008 0.000 0.904 500 L HN 0.890 nan 8.230 nan 0.000 0.435 501 E N -0.887 119.315 120.200 0.004 0.000 2.085 501 E HA -0.293 4.057 4.350 0.000 0.000 0.194 501 E C 2.043 178.646 176.600 0.004 0.000 0.994 501 E CA 1.689 58.092 56.400 0.005 0.000 0.801 501 E CB -0.103 29.601 29.700 0.005 0.000 0.743 501 E HN 0.695 nan 8.360 nan 0.000 0.453 502 Q N -0.051 119.751 119.800 0.002 0.000 2.172 502 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 502 Q C 2.292 178.293 176.000 0.002 0.000 0.964 502 Q CA 0.737 56.542 55.803 0.003 0.000 0.855 502 Q CB -0.028 28.712 28.738 0.004 0.000 0.918 502 Q HN 0.273 nan 8.270 nan 0.000 0.444 503 L N 1.404 122.624 121.223 -0.004 0.000 2.017 503 L HA -0.205 4.135 4.340 0.000 0.000 0.208 503 L C 1.843 178.712 176.870 -0.003 0.000 1.073 503 L CA 1.886 56.721 54.840 -0.009 0.000 0.745 503 L CB -0.197 41.850 42.059 -0.020 0.000 0.894 503 L HN -0.030 nan 8.230 nan 0.000 0.432 504 K N -0.601 119.799 120.400 -0.000 0.000 2.032 504 K HA -0.115 4.205 4.320 0.000 0.000 0.209 504 K C 2.015 178.618 176.600 0.005 0.000 1.048 504 K CA 1.355 57.644 56.287 0.004 0.000 0.927 504 K CB -0.820 31.683 32.500 0.005 0.000 0.712 504 K HN 0.561 nan 8.250 nan 0.000 0.441 505 G N 0.550 109.353 108.800 0.006 0.000 2.418 505 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 505 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 505 G C 1.542 176.447 174.900 0.009 0.000 1.158 505 G CA 0.816 45.920 45.100 0.007 0.000 0.771 505 G HN 0.177 nan 8.290 nan 0.000 0.545 506 S N 0.382 116.087 115.700 0.009 0.000 2.368 506 S HA 0.009 4.479 4.470 0.000 0.000 0.224 506 S C 2.301 176.908 174.600 0.012 0.000 1.029 506 S CA 0.713 58.921 58.200 0.013 0.000 0.988 506 S CB -0.218 62.990 63.200 0.014 0.000 0.838 506 S HN 0.306 nan 8.310 nan 0.000 0.462 507 L N 1.261 122.489 121.223 0.009 0.000 2.083 507 L HA -0.153 4.187 4.340 0.000 0.000 0.209 507 L C 2.797 179.672 176.870 0.007 0.000 1.083 507 L CA 1.278 56.123 54.840 0.008 0.000 0.752 507 L CB -0.464 41.601 42.059 0.009 0.000 0.899 507 L HN 0.380 nan 8.230 nan 0.000 0.433 508 Q N 0.254 120.058 119.800 0.007 0.000 2.084 508 Q HA -0.282 4.058 4.340 0.000 0.000 0.202 508 Q C 2.136 178.139 176.000 0.005 0.000 0.978 508 Q CA 1.959 57.766 55.803 0.005 0.000 0.844 508 Q CB 0.037 28.778 28.738 0.006 0.000 0.898 508 Q HN 0.493 nan 8.270 nan 0.000 0.426 509 E N -0.470 119.734 120.200 0.008 0.000 2.077 509 E HA -0.195 4.155 4.350 0.000 0.000 0.193 509 E C 1.796 178.401 176.600 0.009 0.000 0.989 509 E CA 1.086 57.491 56.400 0.009 0.000 0.800 509 E CB -0.168 29.539 29.700 0.013 0.000 0.746 509 E HN 0.452 nan 8.360 nan 0.000 0.452 510 A N 0.850 123.677 122.820 0.011 0.000 1.898 510 A HA -0.118 4.202 4.320 0.000 0.000 0.216 510 A C 2.169 179.751 177.584 -0.003 0.000 1.181 510 A CA 1.030 53.073 52.037 0.009 0.000 0.620 510 A CB -0.625 18.383 19.000 0.012 0.000 0.819 510 A HN 0.330 nan 8.150 nan 0.000 0.442 511 L N -0.270 120.949 121.223 -0.006 0.000 2.275 511 L HA -0.099 4.242 4.340 0.000 0.000 0.215 511 L C 2.200 179.063 176.870 -0.012 0.000 1.119 511 L CA 1.114 55.946 54.840 -0.014 0.000 0.790 511 L CB -0.101 41.951 42.059 -0.011 0.000 0.919 511 L HN 0.287 nan 8.230 nan 0.000 0.443 512 S N -0.729 114.968 115.700 -0.005 0.000 2.524 512 S HA 0.247 4.717 4.470 0.000 0.000 0.216 512 S C 0.967 175.566 174.600 -0.003 0.000 0.987 512 S CA 0.068 58.266 58.200 -0.004 0.000 0.909 512 S CB 0.106 63.306 63.200 -0.000 0.000 0.781 512 S HN 0.356 nan 8.310 nan 0.000 0.521 513 A N 1.611 124.430 122.820 -0.001 0.000 2.346 513 A HA 0.405 4.725 4.320 0.000 0.000 0.252 513 A C 0.941 178.525 177.584 -0.000 0.000 1.089 513 A CA -0.160 51.879 52.037 0.003 0.000 0.797 513 A CB 0.362 19.369 19.000 0.011 0.000 1.047 513 A HN 0.049 nan 8.150 nan 0.000 0.494 514 K N 0.261 120.663 120.400 0.003 0.000 2.358 514 K HA 0.213 4.533 4.320 0.000 0.000 0.197 514 K C 0.670 177.271 176.600 0.003 0.000 1.025 514 K CA 0.830 57.117 56.287 0.000 0.000 1.104 514 K CB 0.513 33.013 32.500 -0.000 0.000 0.855 514 K HN 0.796 nan 8.250 nan 0.000 0.531 515 G N 1.535 110.340 108.800 0.010 0.000 2.921 515 G HA2 0.419 4.379 3.960 0.000 0.000 0.291 515 G HA3 0.419 4.379 3.960 0.000 0.000 0.291 515 G C -3.027 171.892 174.900 0.033 0.000 1.370 515 G CA -1.090 44.021 45.100 0.019 0.000 0.847 515 G HN -0.242 nan 8.290 nan 0.000 0.532 516 P HA 0.398 nan 4.420 nan 0.000 0.269 516 P C -0.755 176.628 177.300 0.138 0.000 1.215 516 P CA -0.124 63.045 63.100 0.115 0.000 0.780 516 P CB 1.562 33.403 31.700 0.234 0.000 0.898 517 V N 3.043 123.055 119.914 0.163 0.000 2.808 517 V HA 0.373 4.493 4.120 0.000 0.000 0.308 517 V C -0.085 176.164 176.094 0.258 0.000 1.099 517 V CA -0.778 61.618 62.300 0.160 0.000 0.920 517 V CB 2.178 34.050 31.823 0.082 0.000 1.014 517 V HN 0.453 nan 8.190 nan 0.000 0.425 518 L N 5.256 126.618 121.223 0.231 0.000 2.317 518 L HA 0.721 5.061 4.340 0.000 0.000 0.281 518 L C -1.083 175.870 176.870 0.138 0.000 1.024 518 L CA -0.330 54.650 54.840 0.232 0.000 0.810 518 L CB 1.332 43.501 42.059 0.183 0.000 1.240 518 L HN 0.610 nan 8.230 nan 0.000 0.427 519 I N 4.476 125.113 120.570 0.112 0.000 2.410 519 I HA 0.325 4.495 4.170 0.000 0.000 0.286 519 I C -0.411 175.731 176.117 0.043 0.000 1.009 519 I CA -0.459 60.881 61.300 0.066 0.000 1.111 519 I CB 1.807 39.831 38.000 0.041 0.000 1.262 519 I HN 0.611 nan 8.210 nan 0.000 0.443 520 E N 6.410 126.642 120.200 0.053 0.000 2.130 520 E HA 0.404 4.754 4.350 0.000 0.000 0.284 520 E C -1.357 175.252 176.600 0.015 0.000 1.018 520 E CA -0.501 55.921 56.400 0.036 0.000 0.817 520 E CB 1.291 31.068 29.700 0.128 0.000 1.078 520 E HN 0.368 nan 8.360 nan 0.000 0.396 521 V N 3.821 123.720 119.914 -0.026 0.000 2.398 521 V HA 0.180 4.300 4.120 0.000 0.000 0.286 521 V C -0.120 175.955 176.094 -0.031 0.000 1.026 521 V CA -0.796 61.484 62.300 -0.034 0.000 0.868 521 V CB 1.771 33.553 31.823 -0.067 0.000 0.982 521 V HN 0.635 nan 8.190 nan 0.000 0.443 522 S N 3.742 119.430 115.700 -0.020 0.000 2.405 522 S HA 0.367 4.837 4.470 0.000 0.000 0.291 522 S C 0.507 175.080 174.600 -0.045 0.000 1.137 522 S CA -0.505 57.685 58.200 -0.016 0.000 1.061 522 S CB 0.287 63.483 63.200 -0.007 0.000 1.001 522 S HN 0.966 nan 8.310 nan 0.000 0.507 523 T N -0.730 113.795 114.554 -0.048 0.000 2.944 523 T HA 0.608 4.958 4.350 0.000 0.000 0.284 523 T C 0.397 175.050 174.700 -0.077 0.000 1.010 523 T CA -1.049 61.007 62.100 -0.073 0.000 1.025 523 T CB 0.883 69.711 68.868 -0.067 0.000 1.079 523 T HN 0.409 nan 8.240 nan 0.000 0.516 524 V N 0.331 120.167 119.914 -0.129 0.000 2.655 524 V HA 0.392 4.512 4.120 0.000 0.000 0.300 524 V C 0.698 176.767 176.094 -0.042 0.000 1.044 524 V CA -0.738 61.481 62.300 -0.134 0.000 1.095 524 V CB 0.333 31.993 31.823 -0.273 0.000 0.952 524 V HN 1.068 nan 8.190 nan 0.000 0.485 525 S N 6.425 122.114 115.700 -0.018 0.000 2.549 525 S HA 0.419 4.889 4.470 0.000 0.000 0.283 525 S C -1.000 173.625 174.600 0.040 0.000 1.320 525 S CA -0.838 57.373 58.200 0.018 0.000 1.058 525 S CB 0.114 63.327 63.200 0.021 0.000 0.882 525 S HN 1.038 nan 8.310 nan 0.000 0.498 526 P HA 0.000 nan 4.420 nan 0.000 0.216 526 P CA 0.000 63.152 63.100 0.087 0.000 0.800 526 P CB 0.000 31.766 31.700 0.110 0.000 0.726