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 1mcz_1_F 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 STVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.672 177.584 0.147 0.000 1.274 2 A CA 0.000 52.115 52.037 0.130 0.000 0.836 2 A CB 0.000 19.098 19.000 0.163 0.000 0.831 3 S N -0.233 115.576 115.700 0.180 0.000 2.672 3 S HA 0.540 5.010 4.470 -0.000 0.000 0.276 3 S C 1.037 175.802 174.600 0.276 0.000 1.207 3 S CA 0.007 58.335 58.200 0.214 0.000 1.002 3 S CB 1.173 64.515 63.200 0.236 0.000 0.998 3 S HN 1.433 nan 8.310 nan 0.000 0.542 4 V N 1.598 121.683 119.914 0.285 0.000 2.392 4 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 4 V C 2.546 178.953 176.094 0.521 0.000 1.059 4 V CA 2.276 64.763 62.300 0.311 0.000 1.051 4 V CB -1.420 30.515 31.823 0.186 0.000 0.658 4 V HN 1.036 nan 8.190 nan 0.000 0.455 5 H N 0.839 120.224 119.070 0.525 0.000 2.253 5 H HA -0.160 4.396 4.556 -0.000 0.000 0.296 5 H C 2.330 177.896 175.328 0.397 0.000 1.074 5 H CA 2.317 58.691 56.048 0.543 0.000 1.263 5 H CB -0.541 29.444 29.762 0.372 0.000 1.363 5 H HN 0.402 nan 8.280 nan 0.000 0.489 6 G N -0.427 108.643 108.800 0.450 0.000 2.446 6 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 6 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 6 G C 1.820 176.865 174.900 0.242 0.000 1.168 6 G CA 1.578 46.855 45.100 0.297 0.000 0.771 6 G HN 0.475 nan 8.290 nan 0.000 0.551 7 T N 0.894 115.622 114.554 0.290 0.000 2.759 7 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 7 T C 2.611 177.517 174.700 0.344 0.000 1.042 7 T CA 1.790 64.104 62.100 0.356 0.000 1.140 7 T CB -0.472 68.603 68.868 0.345 0.000 0.864 7 T HN 0.311 nan 8.240 nan 0.000 0.455 8 T N 0.818 115.542 114.554 0.283 0.000 2.737 8 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 8 T C 1.637 176.344 174.700 0.012 0.000 1.038 8 T CA 1.106 63.328 62.100 0.203 0.000 1.144 8 T CB -0.532 68.525 68.868 0.314 0.000 0.866 8 T HN 0.444 nan 8.240 nan 0.000 0.434 9 Y N 1.199 121.445 120.300 -0.089 0.000 2.274 9 Y HA -0.096 4.454 4.550 0.000 0.000 0.290 9 Y C 2.642 178.481 175.900 -0.102 0.000 1.145 9 Y CA 1.119 59.052 58.100 -0.278 0.000 1.203 9 Y CB -0.110 38.008 38.460 -0.569 0.000 0.984 9 Y HN 0.177 nan 8.280 nan 0.000 0.533 10 E N 0.521 120.743 120.200 0.037 0.000 2.072 10 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 10 E C 2.013 178.485 176.600 -0.214 0.000 0.985 10 E CA 0.967 57.256 56.400 -0.184 0.000 0.801 10 E CB -0.538 28.891 29.700 -0.452 0.000 0.750 10 E HN 0.347 nan 8.360 nan 0.000 0.452 11 L N 0.286 121.536 121.223 0.045 0.000 2.012 11 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 11 L C 2.164 179.117 176.870 0.138 0.000 1.073 11 L CA 1.727 56.724 54.840 0.261 0.000 0.748 11 L CB -0.655 41.630 42.059 0.377 0.000 0.891 11 L HN 0.276 nan 8.230 nan 0.000 0.431 12 L N -0.314 120.972 121.223 0.105 0.000 1.989 12 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 12 L C 2.909 179.857 176.870 0.131 0.000 1.071 12 L CA 2.100 57.006 54.840 0.110 0.000 0.749 12 L CB -0.728 41.374 42.059 0.071 0.000 0.890 12 L HN 0.423 nan 8.230 nan 0.000 0.431 13 R N -0.311 120.304 120.500 0.191 0.000 2.075 13 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 13 R C 2.234 178.523 176.300 -0.018 0.000 1.126 13 R CA 0.866 56.979 56.100 0.022 0.000 0.963 13 R CB -0.501 29.832 30.300 0.056 0.000 0.858 13 R HN 0.185 nan 8.270 nan 0.000 0.435 14 R N 0.633 121.126 120.500 -0.011 0.000 2.193 14 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 14 R C 1.400 177.732 176.300 0.055 0.000 1.110 14 R CA 0.877 56.981 56.100 0.006 0.000 0.988 14 R CB -0.108 30.190 30.300 -0.002 0.000 0.871 14 R HN 0.433 nan 8.270 nan 0.000 0.458 15 Q N -0.606 119.227 119.800 0.056 0.000 2.246 15 Q HA 0.154 4.494 4.340 -0.000 0.000 0.202 15 Q C 0.705 176.719 176.000 0.023 0.000 0.883 15 Q CA 0.386 56.218 55.803 0.048 0.000 0.952 15 Q CB 0.961 29.719 28.738 0.032 0.000 1.078 15 Q HN 0.523 nan 8.270 nan 0.000 0.493 16 G N 1.126 109.928 108.800 0.003 0.000 2.176 16 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 16 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 16 G C 0.259 175.137 174.900 -0.036 0.000 0.979 16 G CA -0.056 45.034 45.100 -0.017 0.000 0.641 16 G HN 0.360 nan 8.290 nan 0.000 0.530 17 I N 1.521 122.069 120.570 -0.037 0.000 2.395 17 I HA 0.438 4.608 4.170 -0.000 0.000 0.289 17 I C 0.692 176.607 176.117 -0.337 0.000 1.023 17 I CA 0.181 61.457 61.300 -0.040 0.000 1.350 17 I CB 1.320 39.364 38.000 0.074 0.000 1.409 17 I HN 0.254 nan 8.210 nan 0.000 0.507 18 D N 1.501 121.680 120.400 -0.368 0.000 2.497 18 D HA 0.074 4.714 4.640 -0.000 0.000 0.256 18 D C -0.111 175.976 176.300 -0.356 0.000 1.273 18 D CA -0.034 53.481 54.000 -0.807 0.000 0.812 18 D CB 0.478 40.950 40.800 -0.547 0.000 1.190 18 D HN 0.277 nan 8.370 nan 0.000 0.524 19 T N 0.277 114.780 114.554 -0.085 0.000 2.848 19 T HA 0.583 4.933 4.350 -0.000 0.000 0.285 19 T C -0.835 173.870 174.700 0.007 0.000 0.995 19 T CA -0.596 61.433 62.100 -0.118 0.000 0.970 19 T CB 2.520 71.147 68.868 -0.402 0.000 0.976 19 T HN -0.118 nan 8.240 nan 0.000 0.441 20 V N 4.020 123.931 119.914 -0.005 0.000 2.378 20 V HA 0.505 4.625 4.120 -0.000 0.000 0.288 20 V C -0.997 174.872 176.094 -0.373 0.000 1.016 20 V CA -0.847 61.561 62.300 0.181 0.000 0.840 20 V CB 0.674 32.837 31.823 0.567 0.000 0.994 20 V HN 0.793 nan 8.190 nan 0.000 0.431 21 F N 3.254 123.158 119.950 -0.077 0.000 2.410 21 F HA 0.846 5.373 4.527 -0.000 0.000 0.349 21 F C 0.888 176.561 175.800 -0.211 0.000 1.117 21 F CA -0.073 57.779 58.000 -0.248 0.000 1.104 21 F CB 1.852 40.764 39.000 -0.147 0.000 1.122 21 F HN 0.657 nan 8.300 nan 0.000 0.483 22 G N 2.199 110.884 108.800 -0.192 0.000 2.488 22 G HA2 0.273 4.233 3.960 -0.000 0.000 0.301 22 G HA3 0.273 4.233 3.960 -0.000 0.000 0.301 22 G C -2.235 172.761 174.900 0.159 0.000 1.339 22 G CA -0.917 44.204 45.100 0.035 0.000 0.803 22 G HN 0.525 nan 8.290 nan 0.000 0.482 23 N N 1.114 119.952 118.700 0.231 0.000 2.549 23 N HA 0.380 5.120 4.740 -0.000 0.000 0.281 23 N C -2.792 172.838 175.510 0.199 0.000 1.084 23 N CA -1.174 52.000 53.050 0.207 0.000 0.862 23 N CB 3.062 41.627 38.487 0.129 0.000 1.333 23 N HN 0.373 nan 8.380 nan 0.000 0.523 24 P HA 0.242 nan 4.420 nan 0.000 0.269 24 P C -0.174 177.089 177.300 -0.060 0.000 1.217 24 P CA 0.188 63.333 63.100 0.075 0.000 0.783 24 P CB 1.243 32.933 31.700 -0.017 0.000 0.898 25 G N -0.601 108.135 108.800 -0.106 0.000 2.660 25 G HA2 0.362 4.322 3.960 -0.000 0.000 0.290 25 G HA3 0.362 4.322 3.960 -0.000 0.000 0.290 25 G C 0.744 175.548 174.900 -0.159 0.000 1.432 25 G CA 0.046 44.859 45.100 -0.478 0.000 0.807 25 G HN 0.429 nan 8.290 nan 0.000 0.485 26 S N 0.199 115.803 115.700 -0.161 0.000 2.383 26 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 26 S C 1.740 176.304 174.600 -0.060 0.000 1.030 26 S CA 1.749 59.899 58.200 -0.084 0.000 1.002 26 S CB -0.308 62.837 63.200 -0.091 0.000 0.829 26 S HN 0.441 nan 8.310 nan 0.000 0.467 27 N N 1.959 120.761 118.700 0.169 0.000 2.443 27 N HA -0.023 4.717 4.740 -0.000 0.000 0.184 27 N C 1.088 176.776 175.510 0.297 0.000 1.037 27 N CA 1.271 54.460 53.050 0.232 0.000 0.896 27 N CB -0.331 38.350 38.487 0.323 0.000 0.959 27 N HN 0.635 nan 8.380 nan 0.000 0.442 28 E N -0.511 119.842 120.200 0.255 0.000 2.476 28 E HA 0.213 4.563 4.350 -0.000 0.000 0.199 28 E C 1.745 178.465 176.600 0.200 0.000 1.021 28 E CA -0.151 56.420 56.400 0.285 0.000 0.907 28 E CB 0.073 29.950 29.700 0.296 0.000 0.974 28 E HN 0.223 nan 8.360 nan 0.000 0.489 29 L N 0.995 122.267 121.223 0.083 0.000 2.042 29 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 29 L C -0.655 176.244 176.870 0.048 0.000 1.076 29 L CA 1.466 56.315 54.840 0.015 0.000 0.749 29 L CB -1.360 40.668 42.059 -0.052 0.000 0.893 29 L HN 0.133 nan 8.230 nan 0.000 0.432 30 P HA -0.206 nan 4.420 nan 0.000 0.221 30 P C 1.313 178.695 177.300 0.136 0.000 1.145 30 P CA 1.325 64.552 63.100 0.212 0.000 0.795 30 P CB 0.008 31.989 31.700 0.469 0.000 0.775 31 F N -0.395 119.398 119.950 -0.261 0.000 2.317 31 F HA 0.084 4.611 4.527 0.000 0.000 0.293 31 F C 1.691 177.450 175.800 -0.069 0.000 1.085 31 F CA 1.003 58.611 58.000 -0.653 0.000 1.390 31 F CB -0.609 37.758 39.000 -1.054 0.000 1.077 31 F HN -0.288 nan 8.300 nan 0.000 0.517 32 L N 1.054 122.179 121.223 -0.163 0.000 2.341 32 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 32 L C 1.041 177.861 176.870 -0.083 0.000 1.115 32 L CA 0.180 54.922 54.840 -0.164 0.000 0.820 32 L CB -0.802 41.174 42.059 -0.138 0.000 0.944 32 L HN 0.037 nan 8.230 nan 0.000 0.452 33 K N 0.262 120.626 120.400 -0.060 0.000 2.414 33 K HA -0.060 4.260 4.320 -0.000 0.000 0.272 33 K C -0.332 176.214 176.600 -0.091 0.000 0.993 33 K CA -0.140 56.097 56.287 -0.083 0.000 0.964 33 K CB 0.371 32.812 32.500 -0.098 0.000 0.925 33 K HN -0.003 nan 8.250 nan 0.000 0.487 34 D N 0.665 121.004 120.400 -0.103 0.000 2.723 34 D HA -0.212 4.428 4.640 -0.000 0.000 0.236 34 D C -0.736 175.473 176.300 -0.152 0.000 1.138 34 D CA 0.760 54.686 54.000 -0.124 0.000 0.676 34 D CB -1.324 39.359 40.800 -0.194 0.000 1.069 34 D HN 0.511 nan 8.370 nan 0.000 0.430 35 F N 1.149 120.913 119.950 -0.310 0.000 2.571 35 F HA 0.153 4.680 4.527 -0.000 0.000 0.390 35 F C -1.382 174.185 175.800 -0.389 0.000 1.043 35 F CA -1.322 56.418 58.000 -0.433 0.000 1.164 35 F CB 0.312 39.145 39.000 -0.277 0.000 1.049 35 F HN -0.137 nan 8.300 nan 0.000 0.552 36 P HA -0.051 nan 4.420 nan 0.000 0.265 36 P C 0.277 177.400 177.300 -0.295 0.000 1.187 36 P CA 0.301 63.055 63.100 -0.577 0.000 0.766 36 P CB 0.475 31.748 31.700 -0.712 0.000 0.820 37 E N 1.533 121.658 120.200 -0.125 0.000 2.338 37 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 37 E C 0.715 177.308 176.600 -0.011 0.000 1.007 37 E CA 0.867 57.245 56.400 -0.037 0.000 0.849 37 E CB -0.079 29.604 29.700 -0.029 0.000 0.774 37 E HN 0.618 nan 8.360 nan 0.000 0.506 38 D N -0.288 120.114 120.400 0.003 0.000 2.328 38 D HA -0.022 4.618 4.640 -0.000 0.000 0.221 38 D C 0.040 176.276 176.300 -0.107 0.000 1.072 38 D CA -0.023 53.958 54.000 -0.032 0.000 0.850 38 D CB -0.139 40.630 40.800 -0.050 0.000 0.922 38 D HN -0.040 nan 8.370 nan 0.000 0.516 39 F N 1.166 120.968 119.950 -0.246 0.000 2.556 39 F HA 0.485 5.012 4.527 -0.000 0.000 0.327 39 F C 0.630 176.429 175.800 -0.002 0.000 1.059 39 F CA -1.161 56.690 58.000 -0.249 0.000 0.953 39 F CB 1.726 40.334 39.000 -0.653 0.000 1.227 39 F HN -0.220 nan 8.300 nan 0.000 0.478 40 R N 1.025 121.710 120.500 0.308 0.000 2.744 40 R HA 0.577 4.917 4.340 -0.000 0.000 0.279 40 R C -2.227 174.277 176.300 0.340 0.000 0.977 40 R CA -0.886 55.404 56.100 0.317 0.000 0.906 40 R CB 1.773 32.097 30.300 0.040 0.000 1.197 40 R HN 0.681 nan 8.270 nan 0.000 0.463 41 Y N 3.214 123.554 120.300 0.067 0.000 2.341 41 Y HA 0.461 5.011 4.550 -0.000 0.000 0.337 41 Y C -0.839 174.904 175.900 -0.262 0.000 1.014 41 Y CA -1.204 56.801 58.100 -0.159 0.000 1.111 41 Y CB 1.446 39.639 38.460 -0.445 0.000 1.194 41 Y HN 0.522 nan 8.280 nan 0.000 0.462 42 I N 8.051 128.176 120.570 -0.743 0.000 2.354 42 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 42 I C -0.877 175.025 176.117 -0.359 0.000 1.007 42 I CA -0.786 60.106 61.300 -0.679 0.000 1.167 42 I CB 1.022 38.548 38.000 -0.790 0.000 1.320 42 I HN 0.507 nan 8.210 nan 0.000 0.458 43 L N 6.769 128.107 121.223 0.192 0.000 2.312 43 L HA 0.812 5.152 4.340 -0.000 0.000 0.281 43 L C -0.099 177.019 176.870 0.414 0.000 1.070 43 L CA 0.114 55.184 54.840 0.384 0.000 0.805 43 L CB 1.377 43.806 42.059 0.616 0.000 1.174 43 L HN 0.697 nan 8.230 nan 0.000 0.434 44 A N 4.825 127.810 122.820 0.275 0.000 2.401 44 A HA 0.544 4.864 4.320 -0.000 0.000 0.310 44 A C 0.400 178.054 177.584 0.117 0.000 1.075 44 A CA -0.637 51.537 52.037 0.229 0.000 0.746 44 A CB 1.086 20.174 19.000 0.147 0.000 1.277 44 A HN 0.871 nan 8.150 nan 0.000 0.425 45 L N -0.001 121.234 121.223 0.019 0.000 2.465 45 L HA 0.055 4.395 4.340 -0.000 0.000 0.224 45 L C 0.949 177.790 176.870 -0.048 0.000 1.145 45 L CA 0.970 55.743 54.840 -0.112 0.000 0.834 45 L CB -0.037 41.865 42.059 -0.261 0.000 0.944 45 L HN 0.704 nan 8.230 nan 0.000 0.451 46 Q N -0.548 119.251 119.800 -0.002 0.000 2.340 46 Q HA 0.113 4.453 4.340 -0.000 0.000 0.276 46 Q C -0.149 175.878 176.000 0.045 0.000 1.048 46 Q CA -0.297 55.518 55.803 0.020 0.000 0.832 46 Q CB 2.346 31.092 28.738 0.014 0.000 1.373 46 Q HN -0.023 nan 8.270 nan 0.000 0.409 47 E N 1.426 121.660 120.200 0.056 0.000 2.147 47 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 47 E C 1.525 178.158 176.600 0.056 0.000 1.005 47 E CA 2.016 58.455 56.400 0.065 0.000 0.810 47 E CB -0.010 29.733 29.700 0.072 0.000 0.736 47 E HN 0.663 nan 8.360 nan 0.000 0.460 48 A N -0.033 122.820 122.820 0.054 0.000 1.972 48 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 48 A C 2.294 179.908 177.584 0.050 0.000 1.169 48 A CA 1.402 53.474 52.037 0.057 0.000 0.635 48 A CB -0.720 18.323 19.000 0.071 0.000 0.810 48 A HN 0.427 nan 8.150 nan 0.000 0.446 49 C N -1.561 117.766 119.300 0.044 0.000 2.475 49 C HA 0.032 4.492 4.460 -0.000 0.000 0.279 49 C C 2.657 177.666 174.990 0.032 0.000 1.322 49 C CA 0.595 59.633 59.018 0.034 0.000 1.734 49 C CB -1.158 26.601 27.740 0.032 0.000 2.005 49 C HN 0.439 nan 8.230 nan 0.000 0.495 50 V N 1.212 121.156 119.914 0.050 0.000 2.233 50 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 50 V C 2.478 178.574 176.094 0.003 0.000 1.050 50 V CA 2.332 64.668 62.300 0.061 0.000 1.010 50 V CB -0.812 31.061 31.823 0.082 0.000 0.637 50 V HN 0.445 nan 8.190 nan 0.000 0.444 51 V N 0.773 120.693 119.914 0.009 0.000 2.427 51 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 51 V C 2.614 178.684 176.094 -0.040 0.000 1.051 51 V CA 2.027 64.317 62.300 -0.016 0.000 1.048 51 V CB -1.415 30.424 31.823 0.027 0.000 0.666 51 V HN 0.629 nan 8.190 nan 0.000 0.456 52 G N 0.067 108.859 108.800 -0.014 0.000 2.446 52 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 52 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 52 G C 1.569 176.377 174.900 -0.154 0.000 1.168 52 G CA 1.101 46.180 45.100 -0.036 0.000 0.771 52 G HN 0.485 nan 8.290 nan 0.000 0.551 53 I N 1.342 121.818 120.570 -0.156 0.000 2.179 53 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 53 I C 3.323 179.167 176.117 -0.455 0.000 1.088 53 I CA 1.016 62.191 61.300 -0.208 0.000 1.357 53 I CB -0.307 37.649 38.000 -0.073 0.000 1.051 53 I HN 0.246 nan 8.210 nan 0.000 0.409 54 A N 0.278 122.672 122.820 -0.710 0.000 1.940 54 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 54 A C 2.073 179.412 177.584 -0.407 0.000 1.176 54 A CA 2.196 53.586 52.037 -1.078 0.000 0.631 54 A CB -0.651 17.889 19.000 -0.768 0.000 0.814 54 A HN 0.443 nan 8.150 nan 0.000 0.446 55 D N -0.340 119.940 120.400 -0.200 0.000 2.097 55 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 55 D C 2.105 178.374 176.300 -0.051 0.000 0.989 55 D CA 1.726 55.707 54.000 -0.032 0.000 0.827 55 D CB -0.631 40.247 40.800 0.130 0.000 0.966 55 D HN 0.311 nan 8.370 nan 0.000 0.456 56 G N -0.913 107.798 108.800 -0.147 0.000 2.418 56 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 56 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 56 G C 1.696 176.484 174.900 -0.187 0.000 1.158 56 G CA 0.952 45.895 45.100 -0.261 0.000 0.771 56 G HN 0.368 nan 8.290 nan 0.000 0.545 57 Y N 1.977 122.123 120.300 -0.256 0.000 2.128 57 Y HA -0.042 4.508 4.550 -0.000 0.000 0.284 57 Y C 2.942 178.788 175.900 -0.090 0.000 1.154 57 Y CA 1.532 59.540 58.100 -0.154 0.000 1.149 57 Y CB -0.366 37.992 38.460 -0.170 0.000 0.976 57 Y HN 0.253 nan 8.280 nan 0.000 0.505 58 A N 0.012 122.830 122.820 -0.003 0.000 1.873 58 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 58 A C 2.122 179.680 177.584 -0.043 0.000 1.186 58 A CA 1.849 53.878 52.037 -0.013 0.000 0.616 58 A CB -0.756 18.270 19.000 0.042 0.000 0.823 58 A HN 0.645 nan 8.150 nan 0.000 0.442 59 Q N -0.705 119.073 119.800 -0.037 0.000 2.084 59 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 59 Q C 2.422 178.446 176.000 0.041 0.000 0.978 59 Q CA 1.470 57.291 55.803 0.029 0.000 0.844 59 Q CB -0.348 28.420 28.738 0.050 0.000 0.898 59 Q HN 0.690 nan 8.270 nan 0.000 0.426 60 A N 1.085 123.855 122.820 -0.083 0.000 1.872 60 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 60 A C 2.244 179.779 177.584 -0.082 0.000 1.187 60 A CA 1.546 53.567 52.037 -0.028 0.000 0.614 60 A CB -0.504 18.432 19.000 -0.106 0.000 0.826 60 A HN 0.431 nan 8.150 nan 0.000 0.442 61 S N -1.265 114.305 115.700 -0.217 0.000 2.481 61 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 61 S C 0.973 175.507 174.600 -0.111 0.000 0.996 61 S CA 0.722 58.778 58.200 -0.240 0.000 0.942 61 S CB -0.372 62.532 63.200 -0.494 0.000 0.768 61 S HN 0.524 nan 8.310 nan 0.000 0.520 62 R N 0.357 120.822 120.500 -0.059 0.000 3.651 62 R HA -0.115 4.225 4.340 -0.000 0.000 0.292 62 R C -0.900 175.396 176.300 -0.006 0.000 1.161 62 R CA 0.996 57.092 56.100 -0.007 0.000 0.787 62 R CB -1.993 28.312 30.300 0.008 0.000 1.249 62 R HN 0.565 nan 8.270 nan 0.000 0.476 63 K N -0.033 120.359 120.400 -0.014 0.000 2.508 63 K HA 0.433 4.753 4.320 -0.000 0.000 0.260 63 K C -2.553 174.081 176.600 0.056 0.000 0.949 63 K CA -2.020 54.278 56.287 0.017 0.000 0.834 63 K CB 2.595 35.103 32.500 0.013 0.000 1.365 63 K HN -0.219 nan 8.250 nan 0.000 0.437 64 P HA 0.035 nan 4.420 nan 0.000 0.269 64 P C -1.284 176.141 177.300 0.208 0.000 1.215 64 P CA -0.207 62.965 63.100 0.121 0.000 0.780 64 P CB 0.802 32.565 31.700 0.106 0.000 0.898 65 A N 2.826 125.781 122.820 0.226 0.000 2.342 65 A HA 0.571 4.891 4.320 -0.000 0.000 0.323 65 A C -1.131 176.657 177.584 0.339 0.000 1.125 65 A CA -0.650 51.589 52.037 0.336 0.000 0.785 65 A CB 0.527 19.654 19.000 0.210 0.000 1.221 65 A HN 0.499 nan 8.150 nan 0.000 0.463 66 F N 2.782 122.919 119.950 0.312 0.000 2.408 66 F HA 0.714 5.241 4.527 -0.000 0.000 0.344 66 F C -0.428 175.557 175.800 0.308 0.000 1.112 66 F CA -0.527 57.632 58.000 0.264 0.000 1.096 66 F CB 0.697 39.851 39.000 0.256 0.000 1.129 66 F HN 0.434 nan 8.300 nan 0.000 0.486 67 I N 4.694 125.053 120.570 -0.350 0.000 2.646 67 I HA 0.324 4.494 4.170 -0.000 0.000 0.299 67 I C -1.152 174.779 176.117 -0.310 0.000 1.036 67 I CA -1.007 60.209 61.300 -0.140 0.000 1.074 67 I CB 2.248 40.215 38.000 -0.055 0.000 1.258 67 I HN 0.526 nan 8.210 nan 0.000 0.430 68 N N 5.751 124.456 118.700 0.008 0.000 2.504 68 N HA 0.576 5.316 4.740 -0.000 0.000 0.280 68 N C -1.619 173.979 175.510 0.145 0.000 1.052 68 N CA -0.323 52.780 53.050 0.089 0.000 0.887 68 N CB 1.052 39.762 38.487 0.372 0.000 1.323 68 N HN 0.475 nan 8.380 nan 0.000 0.509 69 L N 1.098 122.387 121.223 0.110 0.000 2.304 69 L HA 0.486 4.826 4.340 -0.000 0.000 0.268 69 L C -0.299 176.690 176.870 0.198 0.000 1.010 69 L CA -1.230 53.704 54.840 0.156 0.000 0.813 69 L CB 1.305 43.447 42.059 0.138 0.000 1.315 69 L HN 0.571 nan 8.230 nan 0.000 0.445 70 H N 0.506 119.638 119.070 0.104 0.000 2.690 70 H HA 0.311 4.867 4.556 0.000 0.000 0.289 70 H C 0.296 175.681 175.328 0.094 0.000 1.089 70 H CA 0.661 56.767 56.048 0.098 0.000 1.299 70 H CB 0.687 30.498 29.762 0.082 0.000 1.405 70 H HN 0.694 nan 8.280 nan 0.000 0.463 71 S N 2.922 118.466 115.700 -0.261 0.000 2.865 71 S HA -0.377 4.093 4.470 -0.000 0.000 0.630 71 S C 1.784 176.347 174.600 -0.062 0.000 3.160 71 S CA 1.577 59.649 58.200 -0.214 0.000 3.629 71 S CB -1.261 61.686 63.200 -0.422 0.000 0.312 71 S HN 1.098 nan 8.310 nan 0.000 1.632 72 A N 0.499 123.284 122.820 -0.058 0.000 1.858 72 A HA 0.248 4.568 4.320 -0.000 0.000 0.216 72 A C 2.684 180.264 177.584 -0.007 0.000 1.190 72 A CA 2.817 54.844 52.037 -0.016 0.000 0.617 72 A CB -1.633 17.352 19.000 -0.024 0.000 0.827 72 A HN 1.770 nan 8.150 nan 0.000 0.443 73 A N -0.469 122.348 122.820 -0.004 0.000 1.883 73 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 73 A C 2.439 180.055 177.584 0.054 0.000 1.186 73 A CA 2.195 54.250 52.037 0.031 0.000 0.624 73 A CB -1.488 17.549 19.000 0.062 0.000 0.822 73 A HN 0.772 nan 8.150 nan 0.000 0.444 74 G N -1.336 107.513 108.800 0.081 0.000 2.421 74 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 74 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 74 G C 1.592 176.541 174.900 0.082 0.000 1.171 74 G CA 1.656 46.821 45.100 0.110 0.000 0.775 74 G HN 0.434 nan 8.290 nan 0.000 0.543 75 T N 1.079 115.679 114.554 0.076 0.000 2.684 75 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 75 T C 2.498 177.193 174.700 -0.008 0.000 1.036 75 T CA 1.539 63.673 62.100 0.056 0.000 1.148 75 T CB -0.694 68.205 68.868 0.051 0.000 0.863 75 T HN 0.362 nan 8.240 nan 0.000 0.436 76 G N 2.294 111.086 108.800 -0.014 0.000 2.476 76 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 76 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 76 G C 1.589 176.487 174.900 -0.003 0.000 1.164 76 G CA 0.778 45.864 45.100 -0.024 0.000 0.768 76 G HN 0.403 nan 8.290 nan 0.000 0.560 77 N N 1.044 119.757 118.700 0.021 0.000 2.443 77 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 77 N C 1.903 177.433 175.510 0.033 0.000 1.037 77 N CA 0.979 54.048 53.050 0.032 0.000 0.896 77 N CB -0.114 38.400 38.487 0.045 0.000 0.959 77 N HN 0.371 nan 8.380 nan 0.000 0.442 78 A N -0.358 122.478 122.820 0.027 0.000 2.348 78 A HA 0.187 4.507 4.320 -0.000 0.000 0.224 78 A C 1.868 179.456 177.584 0.008 0.000 1.227 78 A CA -0.142 51.912 52.037 0.029 0.000 0.885 78 A CB 0.050 19.075 19.000 0.041 0.000 0.933 78 A HN -0.007 nan 8.150 nan 0.000 0.506 79 M N -0.123 119.468 119.600 -0.016 0.000 2.108 79 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 79 M C 2.204 178.488 176.300 -0.027 0.000 1.066 79 M CA 1.706 56.981 55.300 -0.041 0.000 1.107 79 M CB -1.682 30.882 32.600 -0.060 0.000 1.356 79 M HN 0.474 nan 8.290 nan 0.000 0.406 80 G N -0.084 108.711 108.800 -0.008 0.000 2.418 80 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 80 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 80 G C 1.681 176.581 174.900 0.000 0.000 1.158 80 G CA 1.314 46.409 45.100 -0.008 0.000 0.771 80 G HN 0.553 nan 8.290 nan 0.000 0.545 81 A N 0.542 123.379 122.820 0.027 0.000 1.902 81 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 81 A C 2.418 180.028 177.584 0.043 0.000 1.181 81 A CA 1.238 53.307 52.037 0.054 0.000 0.623 81 A CB -0.397 18.645 19.000 0.069 0.000 0.818 81 A HN 0.358 nan 8.150 nan 0.000 0.443 82 L N 0.518 121.760 121.223 0.032 0.000 2.201 82 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 82 L C 2.993 179.899 176.870 0.060 0.000 1.105 82 L CA 1.413 56.282 54.840 0.049 0.000 0.775 82 L CB -0.489 41.585 42.059 0.025 0.000 0.913 82 L HN 0.659 nan 8.230 nan 0.000 0.440 83 S N -0.345 115.361 115.700 0.010 0.000 2.382 83 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 83 S C 1.768 176.388 174.600 0.032 0.000 1.027 83 S CA 1.210 59.411 58.200 0.003 0.000 0.991 83 S CB -0.359 62.812 63.200 -0.048 0.000 0.823 83 S HN 0.433 nan 8.310 nan 0.000 0.469 84 N N 2.491 121.174 118.700 -0.029 0.000 2.135 84 N HA 0.099 4.839 4.740 -0.000 0.000 0.186 84 N C 2.113 177.580 175.510 -0.072 0.000 1.027 84 N CA 1.456 54.435 53.050 -0.120 0.000 0.849 84 N CB -0.999 37.331 38.487 -0.262 0.000 1.002 84 N HN 0.597 nan 8.380 nan 0.000 0.425 85 A N 1.551 124.373 122.820 0.004 0.000 1.948 85 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 85 A C 2.045 179.672 177.584 0.071 0.000 1.177 85 A CA 1.214 53.276 52.037 0.042 0.000 0.636 85 A CB -1.117 17.935 19.000 0.085 0.000 0.815 85 A HN 0.611 nan 8.150 nan 0.000 0.449 86 W N 1.074 122.343 121.300 -0.052 0.000 2.358 86 W HA -0.190 4.470 4.660 -0.000 0.000 0.303 86 W C 1.389 177.834 176.519 -0.124 0.000 1.208 86 W CA 1.998 59.315 57.345 -0.046 0.000 1.274 86 W CB -0.495 28.943 29.460 -0.038 0.000 1.138 86 W HN 0.414 nan 8.180 nan 0.000 0.515 87 N N 0.316 119.020 118.700 0.006 0.000 2.309 87 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 87 N C 1.786 177.100 175.510 -0.327 0.000 1.018 87 N CA 2.059 55.014 53.050 -0.157 0.000 0.876 87 N CB -0.454 38.013 38.487 -0.033 0.000 0.972 87 N HN 0.133 nan 8.380 nan 0.000 0.434 88 S N -1.533 114.030 115.700 -0.230 0.000 2.556 88 S HA 0.094 4.564 4.470 -0.000 0.000 0.216 88 S C -0.124 174.425 174.600 -0.086 0.000 0.970 88 S CA -0.300 57.810 58.200 -0.151 0.000 0.912 88 S CB -0.547 62.616 63.200 -0.061 0.000 0.790 88 S HN 0.400 nan 8.310 nan 0.000 0.504 89 H N 0.840 119.838 119.070 -0.120 0.000 2.791 89 H HA -0.131 4.425 4.556 -0.000 0.000 0.302 89 H C -0.653 174.641 175.328 -0.056 0.000 1.198 89 H CA 0.398 56.364 56.048 -0.138 0.000 1.145 89 H CB -2.161 27.530 29.762 -0.118 0.000 1.385 89 H HN 0.376 nan 8.280 nan 0.000 0.409 90 S N 2.519 118.256 115.700 0.062 0.000 2.481 90 S HA 0.116 4.586 4.470 -0.000 0.000 0.276 90 S C -1.818 172.824 174.600 0.069 0.000 1.247 90 S CA -0.991 57.250 58.200 0.068 0.000 1.053 90 S CB 0.915 64.153 63.200 0.062 0.000 0.925 90 S HN 0.210 nan 8.310 nan 0.000 0.491 91 P HA 0.187 nan 4.420 nan 0.000 0.263 91 P C -1.048 176.302 177.300 0.084 0.000 1.601 91 P CA 0.012 63.153 63.100 0.069 0.000 1.161 91 P CB -0.176 31.559 31.700 0.058 0.000 1.730 92 L N 4.575 125.852 121.223 0.089 0.000 2.313 92 L HA 0.503 4.843 4.340 -0.000 0.000 0.283 92 L C 0.692 177.616 176.870 0.089 0.000 1.013 92 L CA -0.966 53.925 54.840 0.084 0.000 0.816 92 L CB 1.935 44.035 42.059 0.068 0.000 1.236 92 L HN 0.160 nan 8.230 nan 0.000 0.419 93 I N 4.277 124.886 120.570 0.066 0.000 2.310 93 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 93 I C -0.275 175.755 176.117 -0.146 0.000 1.073 93 I CA -0.516 60.798 61.300 0.023 0.000 1.216 93 I CB 1.202 39.259 38.000 0.094 0.000 1.415 93 I HN 0.251 nan 8.210 nan 0.000 0.480 94 V N 5.312 125.199 119.914 -0.045 0.000 2.368 94 V HA 0.257 4.377 4.120 -0.000 0.000 0.266 94 V C 0.618 176.602 176.094 -0.183 0.000 1.045 94 V CA -0.344 61.919 62.300 -0.063 0.000 0.899 94 V CB 0.995 32.916 31.823 0.162 0.000 1.006 94 V HN 0.791 nan 8.190 nan 0.000 0.470 95 T N 2.337 116.697 114.554 -0.323 0.000 2.823 95 T HA 0.863 5.213 4.350 -0.000 0.000 0.279 95 T C -0.408 174.156 174.700 -0.226 0.000 0.998 95 T CA -0.541 61.356 62.100 -0.338 0.000 0.994 95 T CB 1.968 70.633 68.868 -0.338 0.000 0.960 95 T HN 0.943 nan 8.240 nan 0.000 0.448 96 A N 2.013 124.676 122.820 -0.262 0.000 2.393 96 A HA 0.865 5.185 4.320 -0.000 0.000 0.306 96 A C 0.381 177.947 177.584 -0.031 0.000 1.050 96 A CA -0.734 51.253 52.037 -0.083 0.000 0.724 96 A CB 1.252 20.251 19.000 -0.001 0.000 1.248 96 A HN 1.332 nan 8.150 nan 0.000 0.424 97 G N 0.613 109.461 108.800 0.080 0.000 2.378 97 G HA2 0.462 4.422 3.960 -0.000 0.000 0.255 97 G HA3 0.462 4.422 3.960 -0.000 0.000 0.255 97 G C -0.119 174.835 174.900 0.090 0.000 1.270 97 G CA 0.032 45.227 45.100 0.159 0.000 0.876 97 G HN 0.836 nan 8.290 nan 0.000 0.521 98 Q N 0.602 120.464 119.800 0.105 0.000 2.204 98 Q HA 0.336 4.676 4.340 -0.000 0.000 0.254 98 Q C 0.353 176.433 176.000 0.133 0.000 0.981 98 Q CA -0.635 55.199 55.803 0.051 0.000 0.897 98 Q CB 1.008 29.732 28.738 -0.025 0.000 1.273 98 Q HN 0.507 nan 8.270 nan 0.000 0.464 99 Q N 0.224 120.070 119.800 0.078 0.000 2.535 99 Q HA 0.098 4.438 4.340 -0.000 0.000 0.228 99 Q C -0.556 175.351 176.000 -0.156 0.000 1.062 99 Q CA 0.221 56.084 55.803 0.099 0.000 0.967 99 Q CB 0.766 29.537 28.738 0.055 0.000 1.273 99 Q HN 0.833 nan 8.270 nan 0.000 0.554 100 T N 0.543 114.818 114.554 -0.466 0.000 2.916 100 T HA 0.047 4.397 4.350 -0.000 0.000 0.303 100 T C 1.282 175.810 174.700 -0.287 0.000 1.025 100 T CA 0.036 61.733 62.100 -0.671 0.000 1.142 100 T CB 0.361 68.751 68.868 -0.796 0.000 0.947 100 T HN 0.511 nan 8.240 nan 0.000 0.544 101 R N 3.183 123.543 120.500 -0.234 0.000 2.154 101 R HA -0.163 4.177 4.340 -0.000 0.000 0.248 101 R C 2.511 178.747 176.300 -0.107 0.000 1.155 101 R CA 1.565 57.578 56.100 -0.145 0.000 0.979 101 R CB -0.556 29.669 30.300 -0.127 0.000 0.869 101 R HN 0.760 nan 8.270 nan 0.000 0.452 102 A N 0.144 122.899 122.820 -0.110 0.000 2.121 102 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 102 A C 1.722 179.277 177.584 -0.050 0.000 1.154 102 A CA 1.049 53.045 52.037 -0.068 0.000 0.679 102 A CB -0.035 18.931 19.000 -0.056 0.000 0.795 102 A HN 0.203 nan 8.150 nan 0.000 0.458 103 M N -1.319 118.246 119.600 -0.057 0.000 2.347 103 M HA 0.312 4.792 4.480 -0.000 0.000 0.324 103 M C 0.923 177.208 176.300 -0.025 0.000 1.028 103 M CA 0.117 55.401 55.300 -0.027 0.000 0.988 103 M CB 0.250 32.849 32.600 -0.001 0.000 1.528 103 M HN 0.301 nan 8.290 nan 0.000 0.550 104 I N 0.262 120.806 120.570 -0.043 0.000 2.315 104 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 104 I C 2.463 178.561 176.117 -0.031 0.000 1.117 104 I CA 1.322 62.599 61.300 -0.039 0.000 1.404 104 I CB -0.511 37.454 38.000 -0.058 0.000 1.071 104 I HN 0.375 nan 8.210 nan 0.000 0.419 105 G N 1.284 110.066 108.800 -0.031 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 1.621 176.511 174.900 -0.017 0.000 1.168 105 G CA 1.394 46.479 45.100 -0.024 0.000 0.771 105 G HN 0.387 nan 8.290 nan 0.000 0.551 106 V N -2.216 117.691 119.914 -0.012 0.000 3.380 106 V HA 0.240 4.360 4.120 -0.000 0.000 0.268 106 V C 0.694 176.786 176.094 -0.003 0.000 1.168 106 V CA 0.963 63.260 62.300 -0.006 0.000 1.156 106 V CB -0.864 30.958 31.823 -0.001 0.000 0.785 106 V HN 0.522 nan 8.190 nan 0.000 0.487 107 E N -0.001 120.196 120.200 -0.005 0.000 2.260 107 E HA -0.174 4.176 4.350 -0.000 0.000 0.204 107 E C 0.542 177.147 176.600 0.008 0.000 1.319 107 E CA 0.186 56.585 56.400 -0.002 0.000 0.679 107 E CB -1.354 28.343 29.700 -0.005 0.000 1.158 107 E HN 1.001 nan 8.360 nan 0.000 0.376 108 A N 1.008 123.837 122.820 0.015 0.000 2.406 108 A HA 0.377 4.697 4.320 -0.000 0.000 0.243 108 A C 0.422 178.027 177.584 0.036 0.000 1.082 108 A CA -0.328 51.726 52.037 0.029 0.000 0.786 108 A CB 0.441 19.466 19.000 0.042 0.000 1.029 108 A HN 0.380 nan 8.150 nan 0.000 0.495 109 L N 0.860 122.109 121.223 0.042 0.000 2.573 109 L HA 0.060 4.400 4.340 -0.000 0.000 0.290 109 L C 0.822 177.729 176.870 0.062 0.000 1.247 109 L CA 1.422 56.291 54.840 0.047 0.000 0.876 109 L CB -0.330 41.760 42.059 0.052 0.000 1.123 109 L HN 0.742 nan 8.230 nan 0.000 0.505 110 L N 1.536 122.788 121.223 0.049 0.000 4.885 110 L HA -0.210 4.130 4.340 -0.000 0.000 0.404 110 L C 0.260 177.135 176.870 0.007 0.000 0.970 110 L CA 0.443 55.302 54.840 0.031 0.000 1.426 110 L CB -2.445 39.673 42.059 0.097 0.000 1.934 110 L HN 0.762 nan 8.230 nan 0.000 0.613 111 T N 1.022 115.584 114.554 0.013 0.000 2.814 111 T HA 0.163 4.513 4.350 -0.000 0.000 0.297 111 T C 0.606 175.297 174.700 -0.016 0.000 0.956 111 T CA -0.033 62.068 62.100 0.001 0.000 1.123 111 T CB 1.073 69.940 68.868 -0.001 0.000 0.902 111 T HN 0.132 nan 8.240 nan 0.000 0.528 112 N N 4.010 122.698 118.700 -0.021 0.000 2.482 112 N HA 0.115 4.855 4.740 -0.000 0.000 0.242 112 N C -0.459 175.038 175.510 -0.022 0.000 1.100 112 N CA -0.251 52.788 53.050 -0.019 0.000 0.946 112 N CB 0.206 38.692 38.487 -0.001 0.000 1.227 112 N HN 0.284 nan 8.380 nan 0.000 0.508 113 V N 3.294 123.194 119.914 -0.024 0.000 2.572 113 V HA -0.006 4.114 4.120 -0.000 0.000 0.291 113 V C 0.932 177.005 176.094 -0.035 0.000 1.039 113 V CA -0.146 62.137 62.300 -0.029 0.000 1.055 113 V CB 0.605 32.413 31.823 -0.026 0.000 0.969 113 V HN 0.731 nan 8.190 nan 0.000 0.482 114 D N 3.286 123.661 120.400 -0.041 0.000 2.737 114 D HA -0.270 4.370 4.640 -0.000 0.000 0.233 114 D C 1.357 177.630 176.300 -0.045 0.000 1.155 114 D CA 1.004 54.976 54.000 -0.047 0.000 0.667 114 D CB -0.590 40.183 40.800 -0.045 0.000 1.060 114 D HN 0.840 nan 8.370 nan 0.000 0.427 115 A N 0.606 123.408 122.820 -0.030 0.000 1.893 115 A HA -0.174 4.146 4.320 -0.000 0.000 0.222 115 A C 2.577 180.185 177.584 0.040 0.000 1.309 115 A CA 3.571 55.621 52.037 0.022 0.000 0.681 115 A CB -1.309 17.713 19.000 0.038 0.000 0.842 115 A HN 1.048 nan 8.150 nan 0.000 0.468 116 A N -0.839 121.983 122.820 0.004 0.000 2.032 116 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 116 A C 1.849 179.391 177.584 -0.070 0.000 1.165 116 A CA 1.987 54.019 52.037 -0.008 0.000 0.645 116 A CB -0.668 18.281 19.000 -0.086 0.000 0.807 116 A HN 0.620 nan 8.150 nan 0.000 0.453 117 N N -0.645 118.007 118.700 -0.080 0.000 2.409 117 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 117 N C 1.474 176.901 175.510 -0.137 0.000 1.032 117 N CA 0.829 53.821 53.050 -0.098 0.000 0.898 117 N CB -0.320 38.122 38.487 -0.075 0.000 0.971 117 N HN 0.437 nan 8.380 nan 0.000 0.441 118 L N 2.688 123.813 121.223 -0.164 0.000 1.989 118 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 118 L C -0.901 175.800 176.870 -0.282 0.000 1.071 118 L CA 2.093 56.809 54.840 -0.207 0.000 0.749 118 L CB -1.434 40.498 42.059 -0.211 0.000 0.890 118 L HN 0.110 nan 8.230 nan 0.000 0.431 119 P HA -0.086 nan 4.420 nan 0.000 0.236 119 P C 0.046 177.195 177.300 -0.252 0.000 1.177 119 P CA 0.438 63.304 63.100 -0.390 0.000 0.773 119 P CB -0.075 31.257 31.700 -0.614 0.000 0.878 120 R N 1.941 122.312 120.500 -0.214 0.000 2.643 120 R HA 0.127 4.467 4.340 -0.000 0.000 0.270 120 R C -1.379 174.802 176.300 -0.199 0.000 1.061 120 R CA -0.889 55.100 56.100 -0.184 0.000 1.107 120 R CB -0.121 30.097 30.300 -0.137 0.000 0.999 120 R HN 0.123 nan 8.270 nan 0.000 0.460 121 P HA 0.101 nan 4.420 nan 0.000 0.248 121 P C -0.031 176.925 177.300 -0.574 0.000 1.708 121 P CA 0.290 63.188 63.100 -0.336 0.000 1.062 121 P CB 0.264 31.777 31.700 -0.313 0.000 1.562 122 L N 0.028 120.998 121.223 -0.421 0.000 2.653 122 L HA 0.183 4.523 4.340 -0.000 0.000 0.231 122 L C 0.764 177.592 176.870 -0.070 0.000 1.153 122 L CA -0.251 54.334 54.840 -0.425 0.000 0.933 122 L CB 0.227 42.156 42.059 -0.217 0.000 1.175 122 L HN -0.080 nan 8.230 nan 0.000 0.473 123 V N -5.291 114.615 119.914 -0.012 0.000 2.962 123 V HA 0.375 4.495 4.120 -0.000 0.000 0.313 123 V C 0.634 177.010 176.094 0.470 0.000 1.099 123 V CA -1.047 61.436 62.300 0.305 0.000 0.971 123 V CB 2.164 34.093 31.823 0.178 0.000 1.028 123 V HN 0.030 nan 8.190 nan 0.000 0.430 124 K N 0.851 121.577 120.400 0.543 0.000 2.155 124 K HA 0.080 4.400 4.320 -0.000 0.000 0.203 124 K C -0.232 176.630 176.600 0.437 0.000 1.052 124 K CA 1.661 58.228 56.287 0.468 0.000 0.948 124 K CB 0.165 32.840 32.500 0.291 0.000 0.728 124 K HN 0.746 nan 8.250 nan 0.000 0.448 125 W N -0.069 121.333 121.300 0.170 0.000 3.425 125 W HA 0.311 4.971 4.660 -0.000 0.000 0.318 125 W C -1.645 174.973 176.519 0.165 0.000 1.201 125 W CA -0.664 56.759 57.345 0.130 0.000 1.212 125 W CB 1.893 31.403 29.460 0.084 0.000 1.355 125 W HN -0.360 nan 8.180 nan 0.000 0.515 126 S N 5.157 120.619 115.700 -0.397 0.000 2.571 126 S HA 0.765 5.235 4.470 -0.000 0.000 0.284 126 S C -2.062 172.183 174.600 -0.591 0.000 1.128 126 S CA -0.309 57.706 58.200 -0.308 0.000 0.970 126 S CB 0.767 63.924 63.200 -0.071 0.000 1.039 126 S HN 0.515 nan 8.310 nan 0.000 0.485 127 Y N 2.183 122.034 120.300 -0.749 0.000 2.624 127 Y HA 0.568 5.117 4.550 -0.000 0.000 0.334 127 Y C -1.541 174.131 175.900 -0.380 0.000 1.155 127 Y CA -0.701 56.993 58.100 -0.677 0.000 1.046 127 Y CB 1.550 39.289 38.460 -1.202 0.000 1.316 127 Y HN 0.686 nan 8.280 nan 0.000 0.457 128 E N 5.188 124.821 120.200 -0.945 0.000 2.265 128 E HA 0.488 4.838 4.350 -0.000 0.000 0.262 128 E C -2.951 173.110 176.600 -0.898 0.000 0.889 128 E CA -2.389 53.617 56.400 -0.656 0.000 0.789 128 E CB 1.934 31.393 29.700 -0.402 0.000 1.221 128 E HN 0.310 nan 8.360 nan 0.000 0.414 129 P HA 0.038 nan 4.420 nan 0.000 0.267 129 P C -0.269 176.918 177.300 -0.189 0.000 1.200 129 P CA 0.160 63.146 63.100 -0.189 0.000 0.772 129 P CB 1.009 32.698 31.700 -0.019 0.000 0.855 130 A N 1.523 124.297 122.820 -0.078 0.000 2.208 130 A HA 0.258 4.578 4.320 -0.000 0.000 0.209 130 A C 0.576 178.133 177.584 -0.046 0.000 1.161 130 A CA 0.997 52.996 52.037 -0.063 0.000 0.782 130 A CB -0.505 18.490 19.000 -0.007 0.000 0.816 130 A HN 0.607 nan 8.150 nan 0.000 0.477 131 S N -3.924 111.753 115.700 -0.038 0.000 2.567 131 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 131 S C 0.612 175.179 174.600 -0.055 0.000 1.152 131 S CA -0.012 58.164 58.200 -0.040 0.000 0.835 131 S CB 0.960 64.155 63.200 -0.009 0.000 1.115 131 S HN 0.984 nan 8.310 nan 0.000 0.459 132 A N 1.664 124.442 122.820 -0.071 0.000 1.908 132 A HA 0.246 4.566 4.320 -0.000 0.000 0.218 132 A C 2.294 179.847 177.584 -0.051 0.000 1.181 132 A CA 2.090 54.068 52.037 -0.099 0.000 0.627 132 A CB -1.581 17.370 19.000 -0.082 0.000 0.818 132 A HN 1.800 nan 8.150 nan 0.000 0.445 133 A N -0.818 121.998 122.820 -0.006 0.000 2.125 133 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 133 A C 1.921 179.535 177.584 0.050 0.000 1.156 133 A CA 1.597 53.650 52.037 0.027 0.000 0.671 133 A CB -0.416 18.603 19.000 0.031 0.000 0.794 133 A HN 0.672 nan 8.150 nan 0.000 0.459 134 E N -0.159 120.074 120.200 0.054 0.000 2.371 134 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 134 E C 1.627 178.302 176.600 0.126 0.000 1.012 134 E CA 0.594 57.067 56.400 0.122 0.000 0.860 134 E CB -0.023 29.765 29.700 0.146 0.000 0.811 134 E HN 0.369 nan 8.360 nan 0.000 0.502 135 V N 1.794 121.728 119.914 0.032 0.000 2.250 135 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 135 V C -0.697 175.455 176.094 0.096 0.000 1.060 135 V CA 2.347 64.642 62.300 -0.008 0.000 1.030 135 V CB -1.522 30.168 31.823 -0.221 0.000 0.643 135 V HN 0.285 nan 8.190 nan 0.000 0.445 136 P HA -0.201 nan 4.420 nan 0.000 0.216 136 P C 1.714 179.138 177.300 0.206 0.000 1.153 136 P CA 1.828 65.037 63.100 0.182 0.000 0.858 136 P CB -0.202 31.601 31.700 0.171 0.000 0.789 137 H N -0.578 118.538 119.070 0.077 0.000 2.321 137 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 137 H C 1.797 177.177 175.328 0.086 0.000 1.087 137 H CA 1.238 57.322 56.048 0.059 0.000 1.319 137 H CB -0.144 29.642 29.762 0.040 0.000 1.379 137 H HN -0.014 nan 8.280 nan 0.000 0.501 138 A N 0.930 123.797 122.820 0.078 0.000 1.933 138 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 138 A C 2.376 180.072 177.584 0.187 0.000 1.175 138 A CA 1.717 53.831 52.037 0.128 0.000 0.628 138 A CB -0.637 18.551 19.000 0.314 0.000 0.814 138 A HN 0.511 nan 8.150 nan 0.000 0.444 139 M N -0.225 119.481 119.600 0.176 0.000 2.175 139 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 139 M C 2.269 178.645 176.300 0.126 0.000 1.063 139 M CA 2.012 57.426 55.300 0.190 0.000 1.119 139 M CB -0.562 32.165 32.600 0.211 0.000 1.377 139 M HN 0.390 nan 8.290 nan 0.000 0.415 140 S N -0.149 115.616 115.700 0.109 0.000 2.368 140 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 140 S C 2.040 176.652 174.600 0.019 0.000 1.030 140 S CA 1.582 59.837 58.200 0.092 0.000 0.999 140 S CB -0.178 63.144 63.200 0.202 0.000 0.844 140 S HN 0.620 nan 8.310 nan 0.000 0.459 141 R N 0.786 121.215 120.500 -0.117 0.000 2.081 141 R HA -0.002 4.338 4.340 -0.000 0.000 0.235 141 R C 2.696 178.757 176.300 -0.399 0.000 1.131 141 R CA 1.325 57.180 56.100 -0.408 0.000 0.960 141 R CB -0.676 29.094 30.300 -0.883 0.000 0.856 141 R HN 0.496 nan 8.270 nan 0.000 0.436 142 A N 1.546 124.303 122.820 -0.105 0.000 1.865 142 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 142 A C 2.204 179.815 177.584 0.046 0.000 1.191 142 A CA 1.424 53.555 52.037 0.156 0.000 0.623 142 A CB -0.626 18.566 19.000 0.319 0.000 0.826 142 A HN 0.193 nan 8.150 nan 0.000 0.444 143 I N -1.015 119.540 120.570 -0.025 0.000 2.151 143 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 143 I C 2.487 178.480 176.117 -0.207 0.000 1.080 143 I CA 1.620 62.845 61.300 -0.125 0.000 1.339 143 I CB -0.622 37.218 38.000 -0.267 0.000 1.039 143 I HN 0.430 nan 8.210 nan 0.000 0.409 144 H N -0.313 118.732 119.070 -0.043 0.000 2.395 144 H HA -0.004 4.552 4.556 0.000 0.000 0.299 144 H C 2.316 177.588 175.328 -0.093 0.000 1.070 144 H CA 1.039 57.041 56.048 -0.077 0.000 1.356 144 H CB -0.112 29.587 29.762 -0.105 0.000 1.401 144 H HN 0.257 nan 8.280 nan 0.000 0.524 145 M N 0.372 119.949 119.600 -0.038 0.000 2.213 145 M HA -0.034 4.446 4.480 -0.000 0.000 0.263 145 M C 2.380 178.696 176.300 0.027 0.000 1.062 145 M CA 0.832 56.098 55.300 -0.058 0.000 1.105 145 M CB -0.811 31.701 32.600 -0.146 0.000 1.385 145 M HN 0.214 nan 8.290 nan 0.000 0.417 146 A N -1.208 121.641 122.820 0.048 0.000 1.975 146 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 146 A C 2.374 179.979 177.584 0.036 0.000 1.170 146 A CA 1.452 53.528 52.037 0.066 0.000 0.656 146 A CB -0.379 18.674 19.000 0.088 0.000 0.821 146 A HN 0.451 nan 8.150 nan 0.000 0.449 147 S N -0.384 115.330 115.700 0.024 0.000 2.458 147 S HA 0.191 4.661 4.470 -0.000 0.000 0.223 147 S C 0.876 175.479 174.600 0.005 0.000 1.019 147 S CA 0.136 58.347 58.200 0.017 0.000 0.937 147 S CB -0.223 62.987 63.200 0.018 0.000 0.788 147 S HN 0.535 nan 8.310 nan 0.000 0.511 148 M N 1.784 121.386 119.600 0.003 0.000 2.243 148 M HA 0.286 4.766 4.480 -0.000 0.000 0.341 148 M C 0.284 176.553 176.300 -0.052 0.000 1.130 148 M CA -0.381 54.907 55.300 -0.020 0.000 1.162 148 M CB 0.326 32.911 32.600 -0.025 0.000 1.497 148 M HN 0.138 nan 8.290 nan 0.000 0.456 149 A N 4.643 127.422 122.820 -0.068 0.000 2.440 149 A HA 0.435 4.755 4.320 -0.000 0.000 0.251 149 A C -2.230 175.279 177.584 -0.125 0.000 1.089 149 A CA -1.123 50.844 52.037 -0.118 0.000 0.779 149 A CB -0.666 18.271 19.000 -0.105 0.000 1.022 149 A HN 0.526 nan 8.150 nan 0.000 0.492 150 P HA 0.178 nan 4.420 nan 0.000 0.287 150 P C -0.643 176.509 177.300 -0.245 0.000 1.281 150 P CA -0.268 62.624 63.100 -0.347 0.000 0.781 150 P CB 0.810 32.207 31.700 -0.504 0.000 0.903 151 Q N 1.167 120.849 119.800 -0.196 0.000 2.479 151 Q HA 0.482 4.822 4.340 -0.000 0.000 0.267 151 Q C 0.697 176.682 176.000 -0.024 0.000 1.071 151 Q CA 0.462 56.225 55.803 -0.066 0.000 0.935 151 Q CB 0.366 29.094 28.738 -0.016 0.000 1.295 151 Q HN 0.747 nan 8.270 nan 0.000 0.476 152 G N 1.069 109.877 108.800 0.013 0.000 2.451 152 G HA2 0.315 4.275 3.960 -0.000 0.000 0.292 152 G HA3 0.315 4.275 3.960 -0.000 0.000 0.292 152 G C -3.084 171.880 174.900 0.106 0.000 1.427 152 G CA -0.891 44.224 45.100 0.024 0.000 0.792 152 G HN 0.392 nan 8.290 nan 0.000 0.498 153 P HA 0.466 nan 4.420 nan 0.000 0.279 153 P C -0.086 177.360 177.300 0.243 0.000 1.239 153 P CA -0.158 63.056 63.100 0.189 0.000 0.789 153 P CB 1.686 33.501 31.700 0.191 0.000 0.933 154 V N 0.859 120.913 119.914 0.233 0.000 3.001 154 V HA 0.628 4.748 4.120 -0.000 0.000 0.314 154 V C -1.474 174.793 176.094 0.288 0.000 1.099 154 V CA -1.100 61.382 62.300 0.303 0.000 0.989 154 V CB 2.159 34.204 31.823 0.371 0.000 1.040 154 V HN 0.491 nan 8.190 nan 0.000 0.434 155 Y N 2.874 123.222 120.300 0.080 0.000 2.391 155 Y HA 0.827 5.377 4.550 -0.000 0.000 0.341 155 Y C -1.219 174.634 175.900 -0.078 0.000 0.965 155 Y CA -1.216 56.874 58.100 -0.017 0.000 1.067 155 Y CB 2.023 40.450 38.460 -0.056 0.000 1.199 155 Y HN 0.901 nan 8.280 nan 0.000 0.450 156 L N 5.332 126.249 121.223 -0.510 0.000 2.406 156 L HA 0.614 4.954 4.340 -0.000 0.000 0.272 156 L C -1.138 175.377 176.870 -0.593 0.000 0.980 156 L CA -0.194 54.408 54.840 -0.397 0.000 0.831 156 L CB 1.945 43.951 42.059 -0.088 0.000 1.253 156 L HN 0.561 nan 8.230 nan 0.000 0.406 157 S N 4.168 119.575 115.700 -0.489 0.000 2.442 157 S HA 0.839 5.309 4.470 -0.000 0.000 0.297 157 S C -1.049 173.419 174.600 -0.220 0.000 1.131 157 S CA -0.448 57.534 58.200 -0.365 0.000 1.092 157 S CB 0.894 63.939 63.200 -0.258 0.000 0.998 157 S HN 0.470 nan 8.310 nan 0.000 0.478 158 V N 7.420 127.251 119.914 -0.137 0.000 2.483 158 V HA 0.428 4.548 4.120 -0.000 0.000 0.297 158 V C -2.486 173.564 176.094 -0.073 0.000 1.027 158 V CA -2.079 60.133 62.300 -0.147 0.000 0.855 158 V CB 1.620 33.331 31.823 -0.187 0.000 0.995 158 V HN 0.712 nan 8.190 nan 0.000 0.424 159 P HA 0.017 nan 4.420 nan 0.000 0.264 159 P C 0.299 177.573 177.300 -0.042 0.000 1.193 159 P CA 0.056 63.093 63.100 -0.106 0.000 0.763 159 P CB 0.181 31.774 31.700 -0.178 0.000 0.810 160 Y N 2.811 123.170 120.300 0.099 0.000 2.483 160 Y HA -0.145 4.405 4.550 0.000 0.000 0.291 160 Y C 1.283 177.314 175.900 0.219 0.000 1.143 160 Y CA 1.149 59.404 58.100 0.258 0.000 1.289 160 Y CB -1.130 37.495 38.460 0.275 0.000 0.983 160 Y HN 0.288 nan 8.280 nan 0.000 0.556 161 D N -0.823 119.511 120.400 -0.110 0.000 2.340 161 D HA -0.095 4.545 4.640 -0.000 0.000 0.220 161 D C 0.539 176.832 176.300 -0.012 0.000 1.039 161 D CA 0.474 54.460 54.000 -0.024 0.000 0.866 161 D CB -0.224 40.462 40.800 -0.189 0.000 0.913 161 D HN 0.357 nan 8.370 nan 0.000 0.523 162 D N 0.570 120.893 120.400 -0.129 0.000 2.162 162 D HA -0.056 4.584 4.640 -0.000 0.000 0.203 162 D C 1.650 177.873 176.300 -0.128 0.000 0.967 162 D CA 0.574 54.439 54.000 -0.224 0.000 0.840 162 D CB -0.520 40.008 40.800 -0.454 0.000 0.972 162 D HN 0.370 nan 8.370 nan 0.000 0.482 163 W N 1.618 123.031 121.300 0.188 0.000 2.321 163 W HA -0.153 4.507 4.660 0.000 0.000 0.306 163 W C 1.763 178.414 176.519 0.221 0.000 1.217 163 W CA 0.676 58.175 57.345 0.258 0.000 1.257 163 W CB -0.238 29.442 29.460 0.367 0.000 1.145 163 W HN -0.076 nan 8.180 nan 0.000 0.509 164 D N -0.174 120.441 120.400 0.358 0.000 2.317 164 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 164 D C 0.975 177.371 176.300 0.159 0.000 0.966 164 D CA 0.830 54.967 54.000 0.229 0.000 0.876 164 D CB -0.258 40.647 40.800 0.176 0.000 0.927 164 D HN -0.047 nan 8.370 nan 0.000 0.519 165 K N 1.630 122.108 120.400 0.129 0.000 2.276 165 K HA 0.061 4.381 4.320 -0.000 0.000 0.259 165 K C 0.152 176.812 176.600 0.099 0.000 1.001 165 K CA -0.195 56.142 56.287 0.083 0.000 0.927 165 K CB 0.459 32.982 32.500 0.039 0.000 0.969 165 K HN -0.015 nan 8.250 nan 0.000 0.490 166 D N 0.490 120.936 120.400 0.077 0.000 2.382 166 D HA 0.158 4.798 4.640 -0.000 0.000 0.245 166 D C -0.075 176.276 176.300 0.085 0.000 1.120 166 D CA 0.135 54.186 54.000 0.084 0.000 0.890 166 D CB 0.866 41.705 40.800 0.065 0.000 1.201 166 D HN 0.447 nan 8.370 nan 0.000 0.433 167 A N 1.680 124.563 122.820 0.105 0.000 2.293 167 A HA 0.214 4.534 4.320 -0.000 0.000 0.302 167 A C 0.089 177.721 177.584 0.081 0.000 1.119 167 A CA -0.643 51.456 52.037 0.104 0.000 0.823 167 A CB 0.700 19.788 19.000 0.146 0.000 1.097 167 A HN 0.455 nan 8.150 nan 0.000 0.491 168 D N 1.691 122.128 120.400 0.062 0.000 2.417 168 D HA 0.207 4.847 4.640 -0.000 0.000 0.250 168 D C -1.605 174.725 176.300 0.050 0.000 1.166 168 D CA -1.591 52.436 54.000 0.045 0.000 0.881 168 D CB 1.053 41.867 40.800 0.023 0.000 1.164 168 D HN 0.110 nan 8.370 nan 0.000 0.467 169 P HA -0.152 nan 4.420 nan 0.000 0.217 169 P C 0.990 178.361 177.300 0.118 0.000 1.148 169 P CA 0.977 64.132 63.100 0.092 0.000 0.828 169 P CB 0.236 31.985 31.700 0.082 0.000 0.783 170 Q N -0.955 118.877 119.800 0.054 0.000 2.541 170 Q HA 0.006 4.346 4.340 -0.000 0.000 0.215 170 Q C 1.873 177.771 176.000 -0.170 0.000 0.977 170 Q CA 0.813 56.615 55.803 -0.003 0.000 0.934 170 Q CB -0.770 27.986 28.738 0.029 0.000 0.988 170 Q HN 0.282 nan 8.270 nan 0.000 0.521 171 S N 0.413 116.024 115.700 -0.148 0.000 2.447 171 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 171 S C 1.590 175.829 174.600 -0.602 0.000 1.006 171 S CA 0.813 58.866 58.200 -0.245 0.000 0.957 171 S CB -0.326 62.811 63.200 -0.105 0.000 0.773 171 S HN 0.627 nan 8.310 nan 0.000 0.507 172 H N 0.586 119.268 119.070 -0.647 0.000 2.457 172 H HA -0.088 4.468 4.556 -0.000 0.000 0.297 172 H C 1.271 176.152 175.328 -0.746 0.000 1.092 172 H CA 1.428 56.819 56.048 -1.095 0.000 1.309 172 H CB -0.721 28.781 29.762 -0.433 0.000 1.382 172 H HN 0.486 nan 8.280 nan 0.000 0.535 173 H N 0.756 119.292 119.070 -0.890 0.000 2.543 173 H HA 0.020 4.576 4.556 0.000 0.000 0.286 173 H C 2.287 177.456 175.328 -0.265 0.000 1.037 173 H CA 0.889 56.637 56.048 -0.500 0.000 1.250 173 H CB 0.330 29.819 29.762 -0.455 0.000 1.373 173 H HN 0.427 nan 8.280 nan 0.000 0.580 174 L N -0.934 120.155 121.223 -0.224 0.000 2.249 174 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 174 L C 2.085 179.035 176.870 0.133 0.000 1.090 174 L CA 0.066 54.887 54.840 -0.032 0.000 0.802 174 L CB -0.384 41.665 42.059 -0.016 0.000 0.947 174 L HN 0.008 nan 8.230 nan 0.000 0.453 175 F N 1.085 121.100 119.950 0.108 0.000 2.048 175 F HA -0.320 4.207 4.527 0.000 0.000 0.296 175 F C 1.779 177.647 175.800 0.113 0.000 1.109 175 F CA 1.291 59.356 58.000 0.110 0.000 1.214 175 F CB -0.883 38.181 39.000 0.106 0.000 0.963 175 F HN 0.185 nan 8.300 nan 0.000 0.491 176 D N -0.169 120.419 120.400 0.313 0.000 2.463 176 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 176 D C 0.294 176.711 176.300 0.195 0.000 1.174 176 D CA -0.075 54.062 54.000 0.227 0.000 0.829 176 D CB -0.056 40.862 40.800 0.196 0.000 0.993 176 D HN 0.162 nan 8.370 nan 0.000 0.497 177 R N 1.113 121.727 120.500 0.189 0.000 2.522 177 R HA 0.053 4.393 4.340 -0.000 0.000 0.284 177 R C 0.254 176.639 176.300 0.142 0.000 1.032 177 R CA 0.294 56.469 56.100 0.125 0.000 1.049 177 R CB 0.565 30.904 30.300 0.066 0.000 0.956 177 R HN 0.151 nan 8.270 nan 0.000 0.422 178 H N 3.282 122.363 119.070 0.018 0.000 2.646 178 H HA 0.259 4.815 4.556 -0.000 0.000 0.328 178 H C -1.301 173.996 175.328 -0.051 0.000 0.998 178 H CA -0.590 55.474 56.048 0.027 0.000 1.225 178 H CB 1.018 30.802 29.762 0.037 0.000 1.457 178 H HN 0.214 nan 8.280 nan 0.000 0.505 179 V N 4.389 124.219 119.914 -0.139 0.000 2.398 179 V HA 0.272 4.392 4.120 -0.000 0.000 0.286 179 V C 0.367 176.465 176.094 0.007 0.000 1.026 179 V CA -0.544 61.700 62.300 -0.095 0.000 0.868 179 V CB 1.449 33.109 31.823 -0.271 0.000 0.982 179 V HN 0.756 nan 8.190 nan 0.000 0.443 180 S N 2.714 118.464 115.700 0.083 0.000 2.513 180 S HA 0.613 5.083 4.470 -0.000 0.000 0.299 180 S C 0.404 175.023 174.600 0.031 0.000 1.087 180 S CA 0.089 58.347 58.200 0.095 0.000 1.012 180 S CB 1.843 65.130 63.200 0.146 0.000 1.044 180 S HN 0.983 nan 8.310 nan 0.000 0.485 181 S N 1.855 117.568 115.700 0.021 0.000 2.937 181 S HA 0.200 4.670 4.470 -0.000 0.000 0.252 181 S C 0.231 174.830 174.600 -0.001 0.000 1.022 181 S CA -0.328 57.870 58.200 -0.003 0.000 1.079 181 S CB 0.199 63.387 63.200 -0.020 0.000 1.035 181 S HN 0.539 nan 8.310 nan 0.000 0.594 182 S N 2.801 118.511 115.700 0.016 0.000 4.120 182 S HA 0.415 4.885 4.470 -0.000 0.000 0.215 182 S C 0.302 174.906 174.600 0.005 0.000 1.347 182 S CA -0.207 58.001 58.200 0.014 0.000 0.889 182 S CB -1.285 61.933 63.200 0.029 0.000 1.585 182 S HN 0.720 nan 8.310 nan 0.000 0.447 183 V N 2.580 122.492 119.914 -0.004 0.000 3.019 183 V HA 0.999 5.119 4.120 -0.000 0.000 0.317 183 V C -0.689 175.400 176.094 -0.008 0.000 1.094 183 V CA -1.368 60.928 62.300 -0.007 0.000 1.000 183 V CB 1.898 33.715 31.823 -0.011 0.000 1.060 183 V HN 0.722 nan 8.190 nan 0.000 0.443 184 R N 1.762 122.257 120.500 -0.008 0.000 2.739 184 R HA 0.731 5.071 4.340 -0.000 0.000 0.271 184 R C -1.035 175.260 176.300 -0.008 0.000 1.010 184 R CA -0.962 55.133 56.100 -0.007 0.000 0.897 184 R CB 0.599 30.897 30.300 -0.004 0.000 1.236 184 R HN 0.861 nan 8.270 nan 0.000 0.466 185 L N 2.030 123.248 121.223 -0.008 0.000 2.573 185 L HA 0.093 4.433 4.340 -0.000 0.000 0.290 185 L C -0.363 176.504 176.870 -0.006 0.000 1.247 185 L CA 0.672 55.508 54.840 -0.008 0.000 0.876 185 L CB -0.151 41.903 42.059 -0.007 0.000 1.123 185 L HN 0.940 nan 8.230 nan 0.000 0.505 186 N N 1.907 120.603 118.700 -0.006 0.000 2.381 186 N HA -0.021 4.719 4.740 -0.000 0.000 0.241 186 N C 0.448 175.956 175.510 -0.004 0.000 1.279 186 N CA 0.051 53.098 53.050 -0.005 0.000 0.896 186 N CB 0.244 38.728 38.487 -0.006 0.000 1.118 186 N HN 0.599 nan 8.380 nan 0.000 0.438 187 D N -0.072 120.326 120.400 -0.003 0.000 2.127 187 D HA -0.287 4.353 4.640 -0.000 0.000 0.190 187 D C 1.571 177.870 176.300 -0.001 0.000 1.000 187 D CA 1.647 55.646 54.000 -0.002 0.000 0.839 187 D CB -0.508 40.291 40.800 -0.002 0.000 0.955 187 D HN 0.832 nan 8.370 nan 0.000 0.446 188 Q N 0.332 120.130 119.800 -0.002 0.000 2.045 188 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 188 Q C 1.338 177.337 176.000 -0.002 0.000 0.991 188 Q CA 1.928 57.730 55.803 -0.002 0.000 0.851 188 Q CB 0.019 28.756 28.738 -0.002 0.000 0.911 188 Q HN 0.154 nan 8.270 nan 0.000 0.418 189 D N 0.215 120.613 120.400 -0.003 0.000 2.178 189 D HA -0.123 4.517 4.640 -0.000 0.000 0.202 189 D C 1.835 178.133 176.300 -0.002 0.000 0.974 189 D CA 0.497 54.495 54.000 -0.003 0.000 0.841 189 D CB -0.137 40.660 40.800 -0.005 0.000 0.953 189 D HN 0.232 nan 8.370 nan 0.000 0.478 190 L N 1.087 122.309 121.223 -0.002 0.000 2.056 190 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 190 L C 1.373 178.244 176.870 0.001 0.000 1.078 190 L CA 1.766 56.605 54.840 -0.000 0.000 0.749 190 L CB -0.425 41.634 42.059 -0.000 0.000 0.901 190 L HN -0.156 nan 8.230 nan 0.000 0.433 191 D N -0.300 120.101 120.400 0.002 0.000 2.144 191 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 191 D C 2.342 178.644 176.300 0.003 0.000 0.984 191 D CA 1.709 55.711 54.000 0.003 0.000 0.834 191 D CB -0.057 40.744 40.800 0.002 0.000 0.955 191 D HN 0.435 nan 8.370 nan 0.000 0.465 192 I N 0.570 121.141 120.570 0.002 0.000 2.208 192 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 192 I C 2.393 178.512 176.117 0.003 0.000 1.097 192 I CA 0.508 61.809 61.300 0.002 0.000 1.363 192 I CB -0.143 37.858 38.000 0.001 0.000 1.051 192 I HN 0.021 nan 8.210 nan 0.000 0.413 193 L N 0.634 121.859 121.223 0.002 0.000 2.027 193 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 193 L C 2.428 179.302 176.870 0.006 0.000 1.074 193 L CA 1.791 56.633 54.840 0.003 0.000 0.745 193 L CB -0.589 41.471 42.059 0.001 0.000 0.898 193 L HN -0.036 nan 8.230 nan 0.000 0.433 194 V N 0.035 119.953 119.914 0.007 0.000 2.332 194 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 194 V C 2.629 178.729 176.094 0.010 0.000 1.055 194 V CA 2.210 64.516 62.300 0.009 0.000 1.038 194 V CB -0.822 31.006 31.823 0.009 0.000 0.651 194 V HN 0.475 nan 8.190 nan 0.000 0.450 195 K N 0.153 120.558 120.400 0.009 0.000 2.097 195 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 195 K C 2.318 178.925 176.600 0.011 0.000 1.049 195 K CA 1.432 57.724 56.287 0.009 0.000 0.933 195 K CB -0.410 32.094 32.500 0.007 0.000 0.717 195 K HN 0.493 nan 8.250 nan 0.000 0.442 196 A N 1.458 124.284 122.820 0.010 0.000 1.902 196 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 196 A C 2.112 179.705 177.584 0.016 0.000 1.181 196 A CA 1.212 53.256 52.037 0.012 0.000 0.623 196 A CB -0.561 18.445 19.000 0.010 0.000 0.818 196 A HN 0.145 nan 8.150 nan 0.000 0.443 197 L N -0.450 120.783 121.223 0.016 0.000 2.056 197 L HA -0.169 4.170 4.340 -0.000 0.000 0.207 197 L C 2.187 179.070 176.870 0.022 0.000 1.078 197 L CA 1.157 56.009 54.840 0.020 0.000 0.749 197 L CB -0.668 41.402 42.059 0.018 0.000 0.901 197 L HN 0.331 nan 8.230 nan 0.000 0.433 198 N N -0.330 118.381 118.700 0.018 0.000 2.223 198 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 198 N C 1.912 177.434 175.510 0.019 0.000 1.016 198 N CA 1.310 54.371 53.050 0.018 0.000 0.863 198 N CB -0.128 38.369 38.487 0.015 0.000 0.983 198 N HN 0.184 nan 8.380 nan 0.000 0.429 199 S N 0.108 115.819 115.700 0.018 0.000 2.501 199 S HA 0.210 4.680 4.470 -0.000 0.000 0.220 199 S C 0.858 175.471 174.600 0.021 0.000 0.997 199 S CA -0.202 58.008 58.200 0.017 0.000 0.919 199 S CB 0.047 63.256 63.200 0.014 0.000 0.778 199 S HN 0.426 nan 8.310 nan 0.000 0.523 200 A N 2.220 125.056 122.820 0.027 0.000 2.548 200 A HA 0.243 4.563 4.320 -0.000 0.000 0.247 200 A C 1.403 179.009 177.584 0.036 0.000 1.067 200 A CA 0.258 52.316 52.037 0.035 0.000 0.757 200 A CB 0.095 19.121 19.000 0.044 0.000 0.996 200 A HN 0.436 nan 8.150 nan 0.000 0.504 201 S N 1.500 117.220 115.700 0.034 0.000 2.446 201 S HA -0.012 4.458 4.470 -0.000 0.000 0.225 201 S C 0.723 175.346 174.600 0.038 0.000 1.016 201 S CA 0.903 59.120 58.200 0.028 0.000 0.943 201 S CB -0.118 63.092 63.200 0.015 0.000 0.786 201 S HN 0.827 nan 8.310 nan 0.000 0.508 202 N N 1.918 120.654 118.700 0.060 0.000 2.697 202 N HA 0.350 5.090 4.740 -0.000 0.000 0.253 202 N C -3.214 172.440 175.510 0.241 0.000 1.604 202 N CA -1.703 51.409 53.050 0.102 0.000 0.772 202 N CB 1.297 39.785 38.487 0.001 0.000 1.267 202 N HN 0.127 nan 8.380 nan 0.000 0.510 203 P HA 0.331 nan 4.420 nan 0.000 0.272 203 P C -1.016 176.340 177.300 0.093 0.000 1.230 203 P CA -0.288 62.892 63.100 0.133 0.000 0.788 203 P CB 1.456 33.196 31.700 0.067 0.000 0.949 204 A N 2.302 125.097 122.820 -0.043 0.000 2.486 204 A HA 0.725 5.045 4.320 -0.000 0.000 0.300 204 A C -0.820 176.720 177.584 -0.073 0.000 1.048 204 A CA -0.774 51.146 52.037 -0.196 0.000 0.696 204 A CB 1.103 19.772 19.000 -0.551 0.000 1.278 204 A HN 0.430 nan 8.150 nan 0.000 0.405 205 I N 1.691 122.226 120.570 -0.057 0.000 2.433 205 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 205 I C -0.929 175.184 176.117 -0.006 0.000 1.001 205 I CA -0.988 60.284 61.300 -0.046 0.000 1.119 205 I CB 2.127 40.064 38.000 -0.105 0.000 1.289 205 I HN 0.315 nan 8.210 nan 0.000 0.438 206 V N 7.144 127.068 119.914 0.016 0.000 2.444 206 V HA 0.464 4.584 4.120 -0.000 0.000 0.294 206 V C -0.144 175.966 176.094 0.028 0.000 1.022 206 V CA -0.510 61.810 62.300 0.033 0.000 0.850 206 V CB 1.777 33.633 31.823 0.055 0.000 0.992 206 V HN 0.473 nan 8.190 nan 0.000 0.426 207 L N 4.072 125.301 121.223 0.010 0.000 2.325 207 L HA 0.868 5.208 4.340 -0.000 0.000 0.278 207 L C 0.771 177.676 176.870 0.058 0.000 1.023 207 L CA -0.294 54.568 54.840 0.037 0.000 0.811 207 L CB 1.849 43.933 42.059 0.043 0.000 1.249 207 L HN 0.742 nan 8.230 nan 0.000 0.431 208 G N 0.879 109.723 108.800 0.074 0.000 2.667 208 G HA2 0.500 4.460 3.960 -0.000 0.000 0.310 208 G HA3 0.500 4.460 3.960 -0.000 0.000 0.310 208 G C -1.986 172.978 174.900 0.107 0.000 1.259 208 G CA -1.015 44.135 45.100 0.083 0.000 1.019 208 G HN 0.422 nan 8.290 nan 0.000 0.496 209 P HA -0.122 nan 4.420 nan 0.000 0.216 209 P C 0.659 178.038 177.300 0.131 0.000 1.150 209 P CA 1.167 64.349 63.100 0.137 0.000 0.837 209 P CB 0.254 32.034 31.700 0.134 0.000 0.786 210 D N -0.347 120.130 120.400 0.129 0.000 2.263 210 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 210 D C 2.041 178.390 176.300 0.082 0.000 0.971 210 D CA 0.654 54.722 54.000 0.113 0.000 0.867 210 D CB -0.306 40.555 40.800 0.101 0.000 0.929 210 D HN 0.089 nan 8.370 nan 0.000 0.492 211 V N 1.070 121.035 119.914 0.086 0.000 2.307 211 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 211 V C 2.202 178.344 176.094 0.079 0.000 1.045 211 V CA 1.854 64.201 62.300 0.079 0.000 1.024 211 V CB -0.357 31.523 31.823 0.095 0.000 0.651 211 V HN 0.071 nan 8.190 nan 0.000 0.449 212 D N 0.058 120.513 120.400 0.092 0.000 2.144 212 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 212 D C 2.089 178.439 176.300 0.083 0.000 0.978 212 D CA 1.371 55.419 54.000 0.080 0.000 0.833 212 D CB -0.114 40.732 40.800 0.077 0.000 0.961 212 D HN 0.364 nan 8.370 nan 0.000 0.470 213 A N 0.313 123.192 122.820 0.097 0.000 1.933 213 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 213 A C 2.244 179.866 177.584 0.064 0.000 1.175 213 A CA 1.908 54.003 52.037 0.096 0.000 0.628 213 A CB -0.798 18.265 19.000 0.104 0.000 0.814 213 A HN 0.302 nan 8.150 nan 0.000 0.444 214 A N -1.256 121.596 122.820 0.052 0.000 2.238 214 A HA 0.237 4.557 4.320 -0.000 0.000 0.208 214 A C 0.934 178.539 177.584 0.034 0.000 1.177 214 A CA 0.853 52.911 52.037 0.036 0.000 0.804 214 A CB -0.614 18.403 19.000 0.028 0.000 0.823 214 A HN 0.844 nan 8.150 nan 0.000 0.482 215 N N -2.247 116.478 118.700 0.041 0.000 2.740 215 N HA -0.223 4.517 4.740 -0.000 0.000 0.248 215 N C 0.394 175.920 175.510 0.027 0.000 1.062 215 N CA 1.025 54.093 53.050 0.031 0.000 0.704 215 N CB -1.361 37.140 38.487 0.023 0.000 0.968 215 N HN 0.547 nan 8.380 nan 0.000 0.547 216 A N -0.634 122.208 122.820 0.037 0.000 2.379 216 A HA 0.219 4.539 4.320 -0.000 0.000 0.236 216 A C 1.633 179.245 177.584 0.047 0.000 1.272 216 A CA 0.430 52.489 52.037 0.038 0.000 0.886 216 A CB -0.073 18.953 19.000 0.043 0.000 0.962 216 A HN 0.534 nan 8.150 nan 0.000 0.504 217 N N 1.896 120.619 118.700 0.038 0.000 2.018 217 N HA -0.212 4.528 4.740 -0.000 0.000 0.196 217 N C 1.902 177.403 175.510 -0.016 0.000 1.043 217 N CA 2.047 55.114 53.050 0.028 0.000 0.856 217 N CB -0.525 37.953 38.487 -0.016 0.000 1.042 217 N HN 0.448 nan 8.380 nan 0.000 0.423 218 A N 1.195 123.995 122.820 -0.034 0.000 1.873 218 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 218 A C 1.779 179.357 177.584 -0.009 0.000 1.193 218 A CA 2.051 54.061 52.037 -0.045 0.000 0.629 218 A CB -0.819 18.164 19.000 -0.029 0.000 0.826 218 A HN 0.205 nan 8.150 nan 0.000 0.447 219 D N -0.682 119.727 120.400 0.016 0.000 2.182 219 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 219 D C 1.995 178.331 176.300 0.060 0.000 0.986 219 D CA 1.355 55.374 54.000 0.032 0.000 0.847 219 D CB -0.538 40.280 40.800 0.030 0.000 0.942 219 D HN 0.464 nan 8.370 nan 0.000 0.467 220 C N 0.032 119.388 119.300 0.093 0.000 2.457 220 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 220 C C 2.907 178.060 174.990 0.271 0.000 1.309 220 C CA -0.018 59.101 59.018 0.168 0.000 1.735 220 C CB -0.689 27.188 27.740 0.227 0.000 1.992 220 C HN 0.167 nan 8.230 nan 0.000 0.493 221 V N 1.039 121.054 119.914 0.169 0.000 2.295 221 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 221 V C 2.389 178.533 176.094 0.082 0.000 1.049 221 V CA 2.468 64.781 62.300 0.022 0.000 1.024 221 V CB -0.678 30.980 31.823 -0.275 0.000 0.648 221 V HN 0.627 nan 8.190 nan 0.000 0.447 222 M N -0.293 119.344 119.600 0.060 0.000 2.065 222 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 222 M C 2.068 178.411 176.300 0.072 0.000 1.069 222 M CA 2.151 57.489 55.300 0.063 0.000 1.110 222 M CB -0.428 32.197 32.600 0.042 0.000 1.328 222 M HN 0.292 nan 8.290 nan 0.000 0.405 223 L N 0.873 122.138 121.223 0.070 0.000 2.043 223 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 223 L C 2.434 179.338 176.870 0.058 0.000 1.075 223 L CA 2.419 57.293 54.840 0.057 0.000 0.752 223 L CB -1.175 40.914 42.059 0.050 0.000 0.891 223 L HN 0.433 nan 8.230 nan 0.000 0.432 224 A N -0.990 121.876 122.820 0.077 0.000 1.930 224 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 224 A C 2.137 179.775 177.584 0.089 0.000 1.175 224 A CA 1.724 53.793 52.037 0.053 0.000 0.627 224 A CB -0.575 18.450 19.000 0.041 0.000 0.815 224 A HN 0.644 nan 8.150 nan 0.000 0.443 225 E N -0.503 119.773 120.200 0.127 0.000 2.107 225 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 225 E C 2.276 178.929 176.600 0.088 0.000 0.982 225 E CA 0.735 57.220 56.400 0.141 0.000 0.809 225 E CB -0.150 29.649 29.700 0.165 0.000 0.756 225 E HN 0.417 nan 8.360 nan 0.000 0.459 226 R N 0.779 121.321 120.500 0.069 0.000 2.070 226 R HA -0.080 4.260 4.340 -0.000 0.000 0.233 226 R C 2.360 178.687 176.300 0.045 0.000 1.137 226 R CA 0.981 57.111 56.100 0.050 0.000 0.945 226 R CB -0.793 29.532 30.300 0.041 0.000 0.845 226 R HN 0.249 nan 8.270 nan 0.000 0.430 227 L N 1.449 122.699 121.223 0.044 0.000 2.552 227 L HA 0.031 4.371 4.340 -0.000 0.000 0.227 227 L C 0.156 177.053 176.870 0.045 0.000 1.146 227 L CA 0.189 55.053 54.840 0.039 0.000 0.858 227 L CB -0.229 41.849 42.059 0.032 0.000 0.969 227 L HN 0.068 nan 8.230 nan 0.000 0.451 228 K N -0.204 120.228 120.400 0.054 0.000 3.077 228 K HA -0.180 4.140 4.320 -0.000 0.000 0.264 228 K C -0.019 176.612 176.600 0.052 0.000 1.008 228 K CA 0.881 57.204 56.287 0.059 0.000 0.740 228 K CB -1.921 30.609 32.500 0.050 0.000 1.273 228 K HN 0.366 nan 8.250 nan 0.000 0.477 229 A N 0.923 123.764 122.820 0.036 0.000 2.337 229 A HA 0.734 5.053 4.320 -0.000 0.000 0.331 229 A C -2.205 175.347 177.584 -0.054 0.000 1.137 229 A CA -1.470 50.572 52.037 0.008 0.000 0.807 229 A CB 1.208 20.206 19.000 -0.004 0.000 1.250 229 A HN -0.011 nan 8.150 nan 0.000 0.468 230 P HA 0.344 nan 4.420 nan 0.000 0.274 230 P C -0.828 176.256 177.300 -0.360 0.000 1.231 230 P CA -0.035 62.918 63.100 -0.245 0.000 0.790 230 P CB 1.126 32.681 31.700 -0.241 0.000 0.951 231 V N 2.760 122.339 119.914 -0.559 0.000 2.487 231 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 231 V C -0.582 175.093 176.094 -0.699 0.000 1.028 231 V CA -0.278 61.673 62.300 -0.582 0.000 0.860 231 V CB 1.284 32.544 31.823 -0.938 0.000 0.991 231 V HN 0.595 nan 8.190 nan 0.000 0.427 232 W N 2.568 123.631 121.300 -0.395 0.000 2.719 232 W HA 0.760 5.420 4.660 -0.000 0.000 0.352 232 W C -0.549 175.786 176.519 -0.305 0.000 1.085 232 W CA -0.911 56.175 57.345 -0.432 0.000 1.187 232 W CB 1.510 30.732 29.460 -0.396 0.000 1.417 232 W HN 0.276 nan 8.180 nan 0.000 0.557 233 V N 2.810 122.677 119.914 -0.079 0.000 2.427 233 V HA 0.589 4.709 4.120 -0.000 0.000 0.286 233 V C 0.541 176.521 176.094 -0.189 0.000 1.034 233 V CA -1.267 60.963 62.300 -0.117 0.000 0.893 233 V CB 0.457 32.098 31.823 -0.302 0.000 0.982 233 V HN 0.688 nan 8.190 nan 0.000 0.452 234 A N 8.418 131.167 122.820 -0.119 0.000 2.520 234 A HA 0.382 4.702 4.320 -0.000 0.000 0.235 234 A C -1.822 175.646 177.584 -0.193 0.000 1.065 234 A CA -0.691 51.258 52.037 -0.148 0.000 0.764 234 A CB -0.406 18.594 19.000 -0.000 0.000 1.002 234 A HN 0.704 nan 8.150 nan 0.000 0.502 235 P HA 0.037 nan 4.420 nan 0.000 0.268 235 P C 0.017 177.268 177.300 -0.082 0.000 1.208 235 P CA 0.718 63.708 63.100 -0.184 0.000 0.777 235 P CB 0.511 32.112 31.700 -0.165 0.000 0.875 236 S N -1.346 114.315 115.700 -0.065 0.000 3.635 236 S HA -0.178 4.292 4.470 -0.000 0.000 0.328 236 S C 0.664 175.314 174.600 0.082 0.000 1.135 236 S CA 0.695 58.913 58.200 0.030 0.000 0.942 236 S CB -2.212 61.061 63.200 0.121 0.000 0.930 236 S HN 0.976 nan 8.310 nan 0.000 0.512 237 A N 0.777 123.601 122.820 0.008 0.000 2.563 237 A HA 0.304 4.624 4.320 -0.000 0.000 0.256 237 A C -0.602 177.242 177.584 0.434 0.000 1.056 237 A CA -0.159 51.979 52.037 0.167 0.000 0.775 237 A CB 0.061 19.110 19.000 0.082 0.000 0.973 237 A HN 0.323 nan 8.150 nan 0.000 0.516 238 P HA 0.074 nan 4.420 nan 0.000 0.235 238 P C 0.204 177.734 177.300 0.382 0.000 1.177 238 P CA 0.784 64.114 63.100 0.383 0.000 0.785 238 P CB 0.365 32.180 31.700 0.192 0.000 0.885 239 R N -2.710 118.029 120.500 0.398 0.000 2.781 239 R HA 0.539 4.879 4.340 -0.000 0.000 0.269 239 R C -1.459 175.097 176.300 0.426 0.000 1.025 239 R CA -0.803 55.475 56.100 0.296 0.000 0.914 239 R CB 1.045 31.411 30.300 0.110 0.000 1.236 239 R HN -0.152 nan 8.270 nan 0.000 0.465 240 C N 2.955 122.422 119.300 0.278 0.000 2.264 240 C HA 0.528 4.988 4.460 -0.000 0.000 0.324 240 C C -1.691 173.402 174.990 0.172 0.000 1.267 240 C CA -1.885 57.310 59.018 0.295 0.000 1.618 240 C CB 0.674 28.431 27.740 0.027 0.000 2.278 240 C HN 0.630 nan 8.230 nan 0.000 0.499 241 P HA 0.221 nan 4.420 nan 0.000 0.268 241 P C -0.329 177.120 177.300 0.248 0.000 1.329 241 P CA 0.237 63.446 63.100 0.182 0.000 0.899 241 P CB 0.129 31.937 31.700 0.180 0.000 1.378 242 F N 1.774 121.696 119.950 -0.045 0.000 2.665 242 F HA 0.450 4.977 4.527 -0.000 0.000 0.308 242 F C -2.606 173.017 175.800 -0.294 0.000 1.112 242 F CA -2.326 55.593 58.000 -0.135 0.000 0.972 242 F CB 2.163 41.119 39.000 -0.073 0.000 1.295 242 F HN -0.333 nan 8.300 nan 0.000 0.440 243 P HA 0.070 nan 4.420 nan 0.000 0.270 243 P C 0.477 177.523 177.300 -0.424 0.000 1.242 243 P CA 0.158 63.034 63.100 -0.372 0.000 0.768 243 P CB 0.741 32.244 31.700 -0.329 0.000 0.820 244 T N 0.920 115.152 114.554 -0.536 0.000 3.077 244 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 244 T C 1.142 175.772 174.700 -0.117 0.000 1.146 244 T CA 0.711 62.370 62.100 -0.734 0.000 1.091 244 T CB -0.349 68.298 68.868 -0.368 0.000 0.892 244 T HN 0.240 nan 8.240 nan 0.000 0.533 245 R N 0.244 120.716 120.500 -0.047 0.000 2.508 245 R HA 0.209 4.549 4.340 -0.000 0.000 0.300 245 R C 0.275 176.631 176.300 0.093 0.000 0.970 245 R CA -0.350 55.783 56.100 0.055 0.000 1.102 245 R CB -0.332 29.969 30.300 0.002 0.000 1.246 245 R HN 0.597 nan 8.270 nan 0.000 0.539 246 H N 3.342 122.432 119.070 0.033 0.000 2.815 246 H HA 0.065 4.621 4.556 0.000 0.000 0.350 246 H C -1.382 174.032 175.328 0.143 0.000 1.080 246 H CA -1.213 54.871 56.048 0.060 0.000 1.433 246 H CB 1.596 31.377 29.762 0.032 0.000 1.432 246 H HN -0.127 nan 8.280 nan 0.000 0.592 247 P HA -0.170 nan 4.420 nan 0.000 0.217 247 P C 1.383 178.823 177.300 0.234 0.000 1.148 247 P CA 1.215 64.348 63.100 0.055 0.000 0.834 247 P CB -0.050 31.594 31.700 -0.094 0.000 0.783 248 C N -2.216 117.437 119.300 0.589 0.000 2.464 248 C HA 0.124 4.584 4.460 -0.000 0.000 0.278 248 C C 1.487 176.519 174.990 0.071 0.000 1.375 248 C CA -0.614 58.568 59.018 0.273 0.000 1.761 248 C CB -1.893 25.982 27.740 0.225 0.000 1.944 248 C HN 0.108 nan 8.230 nan 0.000 0.509 249 F N 2.284 122.282 119.950 0.081 0.000 2.623 249 F HA 0.076 4.603 4.527 -0.000 0.000 0.383 249 F C 1.295 176.912 175.800 -0.306 0.000 1.077 249 F CA 0.581 58.517 58.000 -0.108 0.000 1.268 249 F CB 0.454 39.532 39.000 0.129 0.000 1.053 249 F HN 0.051 nan 8.300 nan 0.000 0.571 250 R N 3.829 123.561 120.500 -1.279 0.000 2.565 250 R HA 0.302 4.642 4.340 -0.000 0.000 0.347 250 R C 0.627 176.141 176.300 -1.311 0.000 1.010 250 R CA 0.351 55.624 56.100 -1.380 0.000 1.126 250 R CB -0.004 28.971 30.300 -2.209 0.000 1.331 250 R HN 0.971 nan 8.270 nan 0.000 0.552 251 G N 1.344 109.036 108.800 -1.847 0.000 2.698 251 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.225 251 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.225 251 G C -0.890 173.642 174.900 -0.613 0.000 1.345 251 G CA -0.484 43.985 45.100 -1.052 0.000 0.871 251 G HN 0.201 nan 8.290 nan 0.000 0.540 252 L N 0.784 121.711 121.223 -0.494 0.000 2.313 252 L HA 0.686 5.026 4.340 -0.000 0.000 0.282 252 L C 1.098 177.768 176.870 -0.332 0.000 1.092 252 L CA -0.193 54.273 54.840 -0.624 0.000 0.831 252 L CB 0.507 41.929 42.059 -1.061 0.000 1.159 252 L HN 0.598 nan 8.230 nan 0.000 0.442 253 M N 7.839 127.261 119.600 -0.296 0.000 2.228 253 M HA 0.268 4.748 4.480 -0.000 0.000 0.351 253 M C -1.987 174.148 176.300 -0.276 0.000 1.233 253 M CA -1.505 53.610 55.300 -0.308 0.000 1.129 253 M CB 0.427 32.756 32.600 -0.451 0.000 1.604 253 M HN 0.490 nan 8.290 nan 0.000 0.457 254 P HA 0.100 nan 4.420 nan 0.000 0.271 254 P C -0.710 176.535 177.300 -0.092 0.000 1.216 254 P CA -0.215 62.794 63.100 -0.152 0.000 0.776 254 P CB 0.572 32.196 31.700 -0.126 0.000 0.881 255 A N 2.935 125.751 122.820 -0.006 0.000 2.900 255 A HA 0.427 4.747 4.320 -0.000 0.000 0.246 255 A C 0.922 178.663 177.584 0.262 0.000 1.725 255 A CA 0.117 52.239 52.037 0.141 0.000 1.400 255 A CB -1.429 17.708 19.000 0.228 0.000 0.973 255 A HN 0.641 nan 8.150 nan 0.000 0.635 256 G N -0.792 108.119 108.800 0.185 0.000 2.591 256 G HA2 0.489 4.449 3.960 -0.000 0.000 0.306 256 G HA3 0.489 4.449 3.960 -0.000 0.000 0.306 256 G C 0.646 175.545 174.900 -0.003 0.000 1.334 256 G CA -0.643 44.503 45.100 0.076 0.000 0.981 256 G HN 0.177 nan 8.290 nan 0.000 0.491 257 I N 1.623 121.969 120.570 -0.372 0.000 2.099 257 I HA -0.257 3.913 4.170 -0.000 0.000 0.239 257 I C 3.092 179.104 176.117 -0.175 0.000 1.066 257 I CA 1.857 62.879 61.300 -0.463 0.000 1.324 257 I CB -0.144 37.458 38.000 -0.663 0.000 1.037 257 I HN 0.560 nan 8.210 nan 0.000 0.401 258 A N 0.745 123.437 122.820 -0.213 0.000 1.877 258 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 258 A C 2.560 180.071 177.584 -0.122 0.000 1.186 258 A CA 2.046 53.987 52.037 -0.160 0.000 0.620 258 A CB -1.035 17.860 19.000 -0.174 0.000 0.822 258 A HN 0.460 nan 8.150 nan 0.000 0.443 259 A N -0.132 122.616 122.820 -0.119 0.000 1.917 259 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 259 A C 2.157 179.636 177.584 -0.176 0.000 1.182 259 A CA 1.798 53.758 52.037 -0.128 0.000 0.633 259 A CB -0.650 18.282 19.000 -0.114 0.000 0.819 259 A HN 0.533 nan 8.150 nan 0.000 0.448 260 I N 0.370 120.844 120.570 -0.160 0.000 2.286 260 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 260 I C 2.848 178.852 176.117 -0.188 0.000 1.104 260 I CA 1.486 62.635 61.300 -0.252 0.000 1.397 260 I CB -0.313 37.541 38.000 -0.243 0.000 1.072 260 I HN 0.525 nan 8.210 nan 0.000 0.417 261 S N 0.214 115.874 115.700 -0.067 0.000 2.419 261 S HA -0.256 4.214 4.470 -0.000 0.000 0.233 261 S C 1.904 176.464 174.600 -0.066 0.000 1.016 261 S CA 1.067 59.251 58.200 -0.026 0.000 0.974 261 S CB -0.342 62.862 63.200 0.007 0.000 0.786 261 S HN 0.348 nan 8.310 nan 0.000 0.492 262 Q N 1.115 120.855 119.800 -0.099 0.000 2.016 262 Q HA 0.082 4.422 4.340 -0.000 0.000 0.200 262 Q C 1.982 177.916 176.000 -0.111 0.000 0.978 262 Q CA 1.267 57.015 55.803 -0.093 0.000 0.833 262 Q CB -0.838 27.841 28.738 -0.098 0.000 0.895 262 Q HN 0.461 nan 8.270 nan 0.000 0.427 263 L N -0.167 120.929 121.223 -0.211 0.000 2.042 263 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 263 L C 2.012 178.765 176.870 -0.196 0.000 1.076 263 L CA 1.647 56.295 54.840 -0.320 0.000 0.749 263 L CB -0.597 41.017 42.059 -0.742 0.000 0.893 263 L HN 0.315 nan 8.230 nan 0.000 0.432 264 L N -1.085 120.032 121.223 -0.177 0.000 2.554 264 L HA -0.018 4.322 4.340 -0.000 0.000 0.226 264 L C 1.011 177.957 176.870 0.126 0.000 1.137 264 L CA -0.181 54.655 54.840 -0.006 0.000 0.863 264 L CB -0.405 41.618 42.059 -0.060 0.000 0.985 264 L HN 0.258 nan 8.230 nan 0.000 0.451 265 E N 0.551 120.776 120.200 0.041 0.000 2.452 265 E HA 0.111 4.461 4.350 -0.000 0.000 0.261 265 E C 1.128 177.717 176.600 -0.017 0.000 0.987 265 E CA 0.850 57.260 56.400 0.016 0.000 0.926 265 E CB 0.391 30.082 29.700 -0.014 0.000 0.934 265 E HN 0.297 nan 8.360 nan 0.000 0.452 266 G N 4.078 112.848 108.800 -0.051 0.000 2.234 266 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.235 266 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.235 266 G C -0.116 174.644 174.900 -0.232 0.000 0.997 266 G CA 0.040 45.049 45.100 -0.150 0.000 0.623 266 G HN 0.708 nan 8.290 nan 0.000 0.514 267 H N 1.839 120.918 119.070 0.015 0.000 2.594 267 H HA 0.261 4.817 4.556 -0.000 0.000 0.304 267 H C 1.185 176.524 175.328 0.019 0.000 1.068 267 H CA 0.253 56.315 56.048 0.024 0.000 1.308 267 H CB 1.436 31.219 29.762 0.035 0.000 1.409 267 H HN 0.470 nan 8.280 nan 0.000 0.460 268 D N 2.424 122.886 120.400 0.102 0.000 2.144 268 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 268 D C 0.469 176.812 176.300 0.071 0.000 0.978 268 D CA 0.577 54.616 54.000 0.066 0.000 0.833 268 D CB 0.389 41.214 40.800 0.041 0.000 0.961 268 D HN 0.108 nan 8.370 nan 0.000 0.470 269 V N 1.113 121.080 119.914 0.088 0.000 2.525 269 V HA 0.289 4.409 4.120 -0.000 0.000 0.299 269 V C -0.522 175.610 176.094 0.062 0.000 1.034 269 V CA -0.977 61.361 62.300 0.063 0.000 0.863 269 V CB 2.506 34.356 31.823 0.046 0.000 0.999 269 V HN -0.075 nan 8.190 nan 0.000 0.423 270 V N 6.096 126.038 119.914 0.048 0.000 2.357 270 V HA 0.445 4.565 4.120 -0.000 0.000 0.284 270 V C -0.384 175.726 176.094 0.027 0.000 1.018 270 V CA -0.558 61.761 62.300 0.033 0.000 0.841 270 V CB 1.606 33.458 31.823 0.049 0.000 0.991 270 V HN 0.657 nan 8.190 nan 0.000 0.437 271 L N 7.536 128.769 121.223 0.017 0.000 2.257 271 L HA 0.611 4.951 4.340 -0.000 0.000 0.290 271 L C -0.328 176.555 176.870 0.021 0.000 1.044 271 L CA 0.239 55.086 54.840 0.013 0.000 0.810 271 L CB 1.407 43.470 42.059 0.007 0.000 1.193 271 L HN 0.437 nan 8.230 nan 0.000 0.425 272 V N 6.878 126.806 119.914 0.024 0.000 2.435 272 V HA 0.505 4.625 4.120 -0.000 0.000 0.290 272 V C 0.138 176.244 176.094 0.020 0.000 1.030 272 V CA -0.434 61.893 62.300 0.044 0.000 0.881 272 V CB 1.464 33.318 31.823 0.053 0.000 0.983 272 V HN 0.602 nan 8.190 nan 0.000 0.445 273 I N 3.123 123.711 120.570 0.030 0.000 2.498 273 I HA 0.583 4.753 4.170 -0.000 0.000 0.290 273 I C 0.994 177.134 176.117 0.038 0.000 1.032 273 I CA -0.592 60.723 61.300 0.025 0.000 1.073 273 I CB 1.860 39.876 38.000 0.027 0.000 1.251 273 I HN 0.829 nan 8.210 nan 0.000 0.426 274 G N 4.532 113.351 108.800 0.031 0.000 2.323 274 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.292 274 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.292 274 G C -0.063 174.877 174.900 0.068 0.000 1.040 274 G CA 0.453 45.581 45.100 0.047 0.000 0.942 274 G HN 1.093 nan 8.290 nan 0.000 0.506 275 A N -0.882 121.970 122.820 0.054 0.000 2.594 275 A HA 0.919 5.239 4.320 -0.000 0.000 0.295 275 A C -2.936 174.662 177.584 0.023 0.000 1.071 275 A CA -1.308 50.765 52.037 0.060 0.000 0.685 275 A CB 1.735 20.786 19.000 0.085 0.000 1.285 275 A HN 0.102 nan 8.150 nan 0.000 0.405 276 P HA 0.401 nan 4.420 nan 0.000 0.277 276 P C -0.760 176.465 177.300 -0.124 0.000 1.240 276 P CA -0.247 62.826 63.100 -0.044 0.000 0.798 276 P CB 1.005 32.689 31.700 -0.026 0.000 0.979 277 V N 3.731 123.460 119.914 -0.308 0.000 2.257 277 V HA 0.397 4.517 4.120 -0.000 0.000 0.269 277 V C -0.459 175.285 176.094 -0.583 0.000 1.040 277 V CA 0.048 61.873 62.300 -0.792 0.000 0.813 277 V CB -1.156 30.169 31.823 -0.829 0.000 1.065 277 V HN 0.460 nan 8.190 nan 0.000 0.457 278 F N 1.999 121.701 119.950 -0.415 0.000 2.599 278 F HA 0.559 5.087 4.527 0.000 0.000 0.311 278 F C 0.471 175.903 175.800 -0.612 0.000 1.076 278 F CA -1.298 56.361 58.000 -0.568 0.000 0.937 278 F CB 2.196 40.688 39.000 -0.847 0.000 1.282 278 F HN 0.153 nan 8.300 nan 0.000 0.460 279 R N 2.452 122.876 120.500 -0.128 0.000 3.688 279 R HA 0.188 4.528 4.340 -0.000 0.000 0.194 279 R C -1.257 175.030 176.300 -0.021 0.000 1.677 279 R CA 0.022 56.087 56.100 -0.059 0.000 1.351 279 R CB -1.145 29.158 30.300 0.005 0.000 1.338 279 R HN 0.431 nan 8.270 nan 0.000 0.731 280 Y N 0.564 120.970 120.300 0.175 0.000 2.335 280 Y HA -0.003 4.547 4.550 -0.000 0.000 0.348 280 Y C 1.575 177.611 175.900 0.226 0.000 1.280 280 Y CA 0.227 58.438 58.100 0.185 0.000 1.504 280 Y CB 0.446 39.027 38.460 0.202 0.000 1.366 280 Y HN 0.486 nan 8.280 nan 0.000 0.621 281 H N -0.298 118.974 119.070 0.336 0.000 3.539 281 H HA 0.074 4.630 4.556 -0.000 0.000 0.134 281 H C -0.068 175.465 175.328 0.341 0.000 1.139 281 H CA 0.416 56.642 56.048 0.297 0.000 1.031 281 H CB -0.031 29.901 29.762 0.283 0.000 1.174 281 H HN 0.678 nan 8.280 nan 0.000 0.297 282 Q N 1.129 121.230 119.800 0.503 0.000 2.454 282 Q HA -0.048 4.292 4.340 -0.000 0.000 0.247 282 Q C -0.794 175.415 176.000 0.348 0.000 1.028 282 Q CA -0.228 55.831 55.803 0.426 0.000 0.910 282 Q CB 0.445 29.342 28.738 0.264 0.000 1.276 282 Q HN 0.460 nan 8.270 nan 0.000 0.489 283 Y N 1.592 121.995 120.300 0.171 0.000 2.585 283 Y HA 0.177 4.727 4.550 -0.000 0.000 0.354 283 Y C -0.930 174.981 175.900 0.018 0.000 1.024 283 Y CA -0.774 57.372 58.100 0.076 0.000 1.321 283 Y CB 0.355 38.853 38.460 0.063 0.000 1.151 283 Y HN 0.727 nan 8.280 nan 0.000 0.525 284 D N 8.998 129.184 120.400 -0.357 0.000 2.502 284 D HA 0.266 4.906 4.640 -0.000 0.000 0.301 284 D C -2.890 173.101 176.300 -0.515 0.000 1.202 284 D CA -2.196 51.583 54.000 -0.368 0.000 0.878 284 D CB 0.643 41.340 40.800 -0.173 0.000 1.062 284 D HN 0.249 nan 8.370 nan 0.000 0.499 285 P HA 0.325 nan 4.420 nan 0.000 0.265 285 P C 0.439 177.513 177.300 -0.376 0.000 1.187 285 P CA 0.396 63.126 63.100 -0.617 0.000 0.766 285 P CB 1.481 32.792 31.700 -0.648 0.000 0.820 286 G N 1.774 110.369 108.800 -0.341 0.000 2.399 286 G HA2 0.102 4.062 3.960 -0.000 0.000 0.256 286 G HA3 0.102 4.062 3.960 -0.000 0.000 0.256 286 G C -1.639 173.087 174.900 -0.291 0.000 1.236 286 G CA -0.654 44.290 45.100 -0.259 0.000 0.914 286 G HN 0.473 nan 8.290 nan 0.000 0.482 287 Q N -0.550 119.128 119.800 -0.204 0.000 2.259 287 Q HA 0.460 4.800 4.340 -0.000 0.000 0.249 287 Q C 0.292 176.221 176.000 -0.118 0.000 0.914 287 Q CA -0.551 55.152 55.803 -0.166 0.000 0.904 287 Q CB 1.771 30.468 28.738 -0.067 0.000 1.213 287 Q HN 0.566 nan 8.270 nan 0.000 0.428 288 Y N 1.072 121.377 120.300 0.008 0.000 2.242 288 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 288 Y C 0.553 176.506 175.900 0.089 0.000 1.137 288 Y CA 0.538 58.680 58.100 0.069 0.000 1.181 288 Y CB 0.530 39.036 38.460 0.076 0.000 0.989 288 Y HN 0.366 nan 8.280 nan 0.000 0.527 289 L N 0.096 121.440 121.223 0.202 0.000 2.472 289 L HA 0.332 4.672 4.340 -0.000 0.000 0.260 289 L C -0.841 176.069 176.870 0.066 0.000 0.963 289 L CA -1.243 53.673 54.840 0.126 0.000 0.829 289 L CB 1.968 44.100 42.059 0.122 0.000 1.348 289 L HN -0.253 nan 8.230 nan 0.000 0.408 290 K N 1.839 122.263 120.400 0.039 0.000 2.237 290 K HA 0.371 4.691 4.320 -0.000 0.000 0.270 290 K C -2.371 174.242 176.600 0.022 0.000 1.015 290 K CA -1.705 54.592 56.287 0.016 0.000 0.949 290 K CB 0.648 33.149 32.500 0.002 0.000 0.976 290 K HN 0.195 nan 8.250 nan 0.000 0.472 291 P HA -0.023 nan 4.420 nan 0.000 0.265 291 P C 0.643 177.950 177.300 0.012 0.000 1.187 291 P CA 0.880 63.987 63.100 0.013 0.000 0.766 291 P CB 0.418 32.121 31.700 0.005 0.000 0.820 292 G N 1.210 110.020 108.800 0.016 0.000 2.234 292 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.235 292 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.235 292 G C 0.204 175.120 174.900 0.026 0.000 0.997 292 G CA -0.028 45.081 45.100 0.015 0.000 0.623 292 G HN 0.619 nan 8.290 nan 0.000 0.514 293 T N 1.491 116.067 114.554 0.036 0.000 2.767 293 T HA 0.614 4.964 4.350 -0.000 0.000 0.284 293 T C 0.033 174.761 174.700 0.047 0.000 0.973 293 T CA -0.343 61.788 62.100 0.053 0.000 0.996 293 T CB 1.865 70.773 68.868 0.067 0.000 0.927 293 T HN 0.529 nan 8.240 nan 0.000 0.456 294 R N 3.649 124.176 120.500 0.045 0.000 2.562 294 R HA 0.687 5.027 4.340 -0.000 0.000 0.298 294 R C -1.468 174.851 176.300 0.031 0.000 0.961 294 R CA -0.766 55.353 56.100 0.031 0.000 0.881 294 R CB 1.093 31.407 30.300 0.024 0.000 1.159 294 R HN 0.590 nan 8.270 nan 0.000 0.450 295 L N 5.611 126.842 121.223 0.014 0.000 2.346 295 L HA 0.592 4.932 4.340 -0.000 0.000 0.276 295 L C -1.304 175.553 176.870 -0.021 0.000 1.006 295 L CA -0.762 54.079 54.840 0.002 0.000 0.817 295 L CB 1.616 43.668 42.059 -0.011 0.000 1.272 295 L HN 0.665 nan 8.230 nan 0.000 0.421 296 I N 3.737 124.296 120.570 -0.018 0.000 2.447 296 I HA 0.316 4.486 4.170 -0.000 0.000 0.287 296 I C -0.526 175.569 176.117 -0.036 0.000 1.023 296 I CA -0.334 60.951 61.300 -0.026 0.000 1.083 296 I CB 2.062 40.055 38.000 -0.011 0.000 1.245 296 I HN 0.521 nan 8.210 nan 0.000 0.434 297 S N 5.779 121.445 115.700 -0.056 0.000 2.449 297 S HA 0.623 5.093 4.470 -0.000 0.000 0.310 297 S C -0.773 173.801 174.600 -0.044 0.000 1.096 297 S CA -0.479 57.684 58.200 -0.063 0.000 1.095 297 S CB 1.286 64.419 63.200 -0.110 0.000 1.007 297 S HN 0.326 nan 8.310 nan 0.000 0.474 298 V N 4.980 124.877 119.914 -0.029 0.000 2.313 298 V HA 0.535 4.655 4.120 -0.000 0.000 0.278 298 V C 0.443 176.524 176.094 -0.022 0.000 1.017 298 V CA -0.459 61.828 62.300 -0.022 0.000 0.823 298 V CB 0.921 32.738 31.823 -0.010 0.000 1.010 298 V HN 0.935 nan 8.190 nan 0.000 0.443 299 T N 3.225 117.760 114.554 -0.031 0.000 2.916 299 T HA 0.286 4.636 4.350 -0.000 0.000 0.292 299 T C 0.852 175.521 174.700 -0.051 0.000 1.055 299 T CA -0.115 61.966 62.100 -0.032 0.000 1.009 299 T CB 1.459 70.307 68.868 -0.033 0.000 1.118 299 T HN 0.819 nan 8.240 nan 0.000 0.497 300 C N 1.406 120.658 119.300 -0.080 0.000 2.791 300 C HA 0.491 4.951 4.460 -0.000 0.000 0.270 300 C C 0.375 175.264 174.990 -0.168 0.000 1.257 300 C CA -0.553 58.388 59.018 -0.129 0.000 1.699 300 C CB -1.200 26.432 27.740 -0.180 0.000 1.904 300 C HN 0.738 nan 8.230 nan 0.000 0.603 301 D N 1.188 121.514 120.400 -0.124 0.000 2.481 301 D HA 0.357 4.997 4.640 -0.000 0.000 0.246 301 D C -1.952 174.325 176.300 -0.038 0.000 1.109 301 D CA -1.718 52.225 54.000 -0.095 0.000 0.845 301 D CB 2.185 42.970 40.800 -0.025 0.000 1.160 301 D HN -0.091 nan 8.370 nan 0.000 0.534 302 P HA -0.076 nan 4.420 nan 0.000 0.216 302 P C 1.770 179.074 177.300 0.006 0.000 1.150 302 P CA 0.787 63.880 63.100 -0.012 0.000 0.837 302 P CB 0.402 32.099 31.700 -0.005 0.000 0.786 303 L N -0.780 120.461 121.223 0.029 0.000 2.127 303 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 303 L C 2.339 179.232 176.870 0.038 0.000 1.089 303 L CA 1.540 56.415 54.840 0.058 0.000 0.757 303 L CB -0.696 41.434 42.059 0.117 0.000 0.899 303 L HN 0.083 nan 8.230 nan 0.000 0.434 304 E N -0.096 120.117 120.200 0.021 0.000 2.046 304 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 304 E C 2.322 178.899 176.600 -0.039 0.000 0.982 304 E CA 0.985 57.383 56.400 -0.003 0.000 0.800 304 E CB -0.087 29.616 29.700 0.006 0.000 0.756 304 E HN 0.455 nan 8.360 nan 0.000 0.449 305 A N 1.247 124.045 122.820 -0.038 0.000 1.972 305 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 305 A C 2.295 179.849 177.584 -0.050 0.000 1.169 305 A CA 1.688 53.693 52.037 -0.053 0.000 0.635 305 A CB -0.528 18.447 19.000 -0.043 0.000 0.810 305 A HN 0.306 nan 8.150 nan 0.000 0.446 306 A N 0.798 123.601 122.820 -0.028 0.000 1.873 306 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 306 A C 2.173 179.739 177.584 -0.030 0.000 1.186 306 A CA 1.509 53.533 52.037 -0.021 0.000 0.616 306 A CB -0.440 18.560 19.000 0.000 0.000 0.823 306 A HN 0.695 nan 8.150 nan 0.000 0.442 307 R N -0.302 120.182 120.500 -0.027 0.000 2.299 307 R HA 0.406 4.746 4.340 -0.000 0.000 0.197 307 R C 0.764 177.014 176.300 -0.083 0.000 0.971 307 R CA 0.571 56.651 56.100 -0.033 0.000 1.030 307 R CB -0.562 29.737 30.300 -0.002 0.000 0.932 307 R HN 0.277 nan 8.270 nan 0.000 0.477 308 A N 3.603 126.351 122.820 -0.120 0.000 2.545 308 A HA 0.128 4.448 4.320 -0.000 0.000 0.253 308 A C -1.414 176.037 177.584 -0.222 0.000 1.074 308 A CA -1.132 50.784 52.037 -0.202 0.000 0.760 308 A CB 0.153 19.024 19.000 -0.216 0.000 1.005 308 A HN 0.301 nan 8.150 nan 0.000 0.506 309 P HA 0.030 nan 4.420 nan 0.000 0.245 309 P C -0.147 176.933 177.300 -0.367 0.000 1.212 309 P CA 0.766 63.612 63.100 -0.423 0.000 0.774 309 P CB -0.115 31.065 31.700 -0.866 0.000 0.999 310 M N -3.011 116.413 119.600 -0.294 0.000 2.833 310 M HA 0.577 5.057 4.480 -0.000 0.000 0.270 310 M C -0.453 175.760 176.300 -0.145 0.000 1.209 310 M CA -0.050 55.147 55.300 -0.171 0.000 0.826 310 M CB 1.079 33.607 32.600 -0.120 0.000 1.657 310 M HN 0.033 nan 8.290 nan 0.000 0.492 311 G N 1.564 110.313 108.800 -0.085 0.000 2.829 311 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.628 311 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.628 311 G C -1.340 173.519 174.900 -0.069 0.000 1.412 311 G CA -0.095 44.962 45.100 -0.072 0.000 0.864 311 G HN 1.019 nan 8.290 nan 0.000 0.544 312 D N 0.038 120.406 120.400 -0.053 0.000 2.388 312 D HA 0.753 5.393 4.640 -0.000 0.000 0.254 312 D C 0.666 176.933 176.300 -0.056 0.000 1.111 312 D CA 0.875 54.848 54.000 -0.046 0.000 0.993 312 D CB 1.650 42.432 40.800 -0.030 0.000 1.118 312 D HN 1.291 nan 8.370 nan 0.000 0.502 313 A N 0.396 123.187 122.820 -0.048 0.000 2.572 313 A HA 0.702 5.022 4.320 -0.000 0.000 0.295 313 A C -1.255 176.307 177.584 -0.036 0.000 1.072 313 A CA -0.618 51.389 52.037 -0.050 0.000 0.691 313 A CB 1.241 20.204 19.000 -0.061 0.000 1.291 313 A HN 0.453 nan 8.150 nan 0.000 0.404 314 I N 1.543 122.092 120.570 -0.034 0.000 2.478 314 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 314 I C -0.927 175.172 176.117 -0.030 0.000 1.042 314 I CA -0.881 60.403 61.300 -0.027 0.000 1.067 314 I CB 2.135 40.122 38.000 -0.021 0.000 1.233 314 I HN 0.310 nan 8.210 nan 0.000 0.431 315 V N 5.949 125.845 119.914 -0.030 0.000 2.334 315 V HA 0.816 4.936 4.120 -0.000 0.000 0.267 315 V C 0.372 176.446 176.094 -0.034 0.000 1.040 315 V CA -0.020 62.259 62.300 -0.035 0.000 0.866 315 V CB 0.537 32.339 31.823 -0.035 0.000 1.019 315 V HN 0.896 nan 8.190 nan 0.000 0.468 316 A N 3.725 126.523 122.820 -0.037 0.000 2.493 316 A HA 0.629 4.949 4.320 -0.000 0.000 0.300 316 A C -1.173 176.389 177.584 -0.037 0.000 1.152 316 A CA -0.756 51.261 52.037 -0.032 0.000 0.643 316 A CB 0.957 19.944 19.000 -0.022 0.000 1.316 316 A HN 0.660 nan 8.150 nan 0.000 0.469 317 D N 0.217 120.599 120.400 -0.029 0.000 2.383 317 D HA 0.302 4.942 4.640 -0.000 0.000 0.252 317 D C 1.124 177.414 176.300 -0.017 0.000 1.166 317 D CA -0.319 53.665 54.000 -0.027 0.000 0.879 317 D CB 0.336 41.127 40.800 -0.015 0.000 1.164 317 D HN 0.280 nan 8.370 nan 0.000 0.462 318 I N 3.763 124.323 120.570 -0.017 0.000 2.286 318 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 318 I C 2.236 178.359 176.117 0.009 0.000 1.115 318 I CA 1.110 62.409 61.300 -0.001 0.000 1.392 318 I CB -1.547 36.457 38.000 0.006 0.000 1.065 318 I HN 0.655 nan 8.210 nan 0.000 0.418 319 G N 0.703 109.508 108.800 0.009 0.000 2.414 319 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 319 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 319 G C 1.883 176.791 174.900 0.012 0.000 1.188 319 G CA 1.031 46.139 45.100 0.014 0.000 0.783 319 G HN 0.473 nan 8.290 nan 0.000 0.537 320 A N 0.455 123.279 122.820 0.007 0.000 1.883 320 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 320 A C 2.466 180.053 177.584 0.006 0.000 1.186 320 A CA 2.139 54.179 52.037 0.006 0.000 0.624 320 A CB -0.361 18.640 19.000 0.002 0.000 0.822 320 A HN 0.301 nan 8.150 nan 0.000 0.444 321 M N -0.530 119.073 119.600 0.004 0.000 2.099 321 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 321 M C 2.584 178.891 176.300 0.011 0.000 1.067 321 M CA 1.600 56.903 55.300 0.005 0.000 1.124 321 M CB -1.606 30.995 32.600 0.001 0.000 1.353 321 M HN 0.485 nan 8.290 nan 0.000 0.410 322 A N -0.263 122.567 122.820 0.016 0.000 1.883 322 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 322 A C 2.507 180.105 177.584 0.023 0.000 1.186 322 A CA 2.582 54.633 52.037 0.024 0.000 0.624 322 A CB -1.093 17.926 19.000 0.032 0.000 0.822 322 A HN 0.519 nan 8.150 nan 0.000 0.444 323 S N -0.460 115.251 115.700 0.018 0.000 2.348 323 S HA -0.070 4.400 4.470 -0.000 0.000 0.221 323 S C 2.240 176.848 174.600 0.014 0.000 1.033 323 S CA 1.848 60.057 58.200 0.016 0.000 1.010 323 S CB -0.643 62.565 63.200 0.013 0.000 0.891 323 S HN 0.941 nan 8.310 nan 0.000 0.442 324 A N 1.628 124.455 122.820 0.011 0.000 1.892 324 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 324 A C 2.323 179.913 177.584 0.011 0.000 1.188 324 A CA 1.814 53.857 52.037 0.009 0.000 0.631 324 A CB -1.048 17.955 19.000 0.006 0.000 0.822 324 A HN 0.599 nan 8.150 nan 0.000 0.447 325 L N -0.928 120.303 121.223 0.013 0.000 2.017 325 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 325 L C 3.111 179.992 176.870 0.019 0.000 1.073 325 L CA 1.114 55.963 54.840 0.015 0.000 0.745 325 L CB -0.612 41.456 42.059 0.016 0.000 0.894 325 L HN 0.451 nan 8.230 nan 0.000 0.432 326 A N 0.158 122.991 122.820 0.023 0.000 1.978 326 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 326 A C 1.811 179.408 177.584 0.022 0.000 1.170 326 A CA 1.846 53.899 52.037 0.026 0.000 0.636 326 A CB -0.464 18.553 19.000 0.029 0.000 0.810 326 A HN 0.517 nan 8.150 nan 0.000 0.448 327 N N -0.936 117.774 118.700 0.017 0.000 2.280 327 N HA 0.201 4.941 4.740 -0.000 0.000 0.192 327 N C 1.064 176.582 175.510 0.013 0.000 1.109 327 N CA 0.379 53.438 53.050 0.015 0.000 0.855 327 N CB 0.431 38.925 38.487 0.012 0.000 0.974 327 N HN 0.485 nan 8.380 nan 0.000 0.482 328 L N 0.186 121.418 121.223 0.014 0.000 2.577 328 L HA 0.189 4.529 4.340 -0.000 0.000 0.225 328 L C 0.653 177.532 176.870 0.014 0.000 1.053 328 L CA 0.035 54.882 54.840 0.012 0.000 0.866 328 L CB 0.137 42.202 42.059 0.010 0.000 1.132 328 L HN -0.107 nan 8.230 nan 0.000 0.486 329 V N -0.724 119.200 119.914 0.016 0.000 2.872 329 V HA 0.075 4.195 4.120 -0.000 0.000 0.307 329 V C 0.177 176.282 176.094 0.019 0.000 1.072 329 V CA -0.717 61.594 62.300 0.018 0.000 1.148 329 V CB 0.259 32.094 31.823 0.021 0.000 0.954 329 V HN 0.195 nan 8.190 nan 0.000 0.490 330 E N 1.610 121.821 120.200 0.018 0.000 2.349 330 E HA 0.298 4.648 4.350 -0.000 0.000 0.262 330 E C -0.367 176.246 176.600 0.022 0.000 1.088 330 E CA -0.528 55.883 56.400 0.018 0.000 0.899 330 E CB 0.878 30.588 29.700 0.016 0.000 1.044 330 E HN 0.909 nan 8.360 nan 0.000 0.420 331 E N 1.481 121.694 120.200 0.021 0.000 2.104 331 E HA 0.034 4.384 4.350 -0.000 0.000 0.278 331 E C -0.674 175.941 176.600 0.024 0.000 1.127 331 E CA -0.099 56.316 56.400 0.025 0.000 0.897 331 E CB 0.590 30.304 29.700 0.022 0.000 1.043 331 E HN 0.323 nan 8.360 nan 0.000 0.410 332 S N 3.074 118.791 115.700 0.027 0.000 2.572 332 S HA 0.023 4.493 4.470 -0.000 0.000 0.279 332 S C 1.052 175.667 174.600 0.024 0.000 1.341 332 S CA 0.148 58.364 58.200 0.026 0.000 1.043 332 S CB 0.543 63.761 63.200 0.030 0.000 0.887 332 S HN 0.660 nan 8.310 nan 0.000 0.516 333 S N 4.087 119.799 115.700 0.020 0.000 2.562 333 S HA 0.166 4.636 4.470 -0.000 0.000 0.221 333 S C 0.747 175.358 174.600 0.019 0.000 0.975 333 S CA -0.279 57.931 58.200 0.018 0.000 0.918 333 S CB -0.150 63.058 63.200 0.014 0.000 0.772 333 S HN 0.713 nan 8.310 nan 0.000 0.531 334 R N 1.511 122.024 120.500 0.022 0.000 2.861 334 R HA 0.158 4.498 4.340 -0.000 0.000 0.268 334 R C 0.077 176.391 176.300 0.024 0.000 1.027 334 R CA -0.034 56.080 56.100 0.023 0.000 1.163 334 R CB 0.177 30.494 30.300 0.028 0.000 1.060 334 R HN 0.356 nan 8.270 nan 0.000 0.483 335 Q N 1.593 121.406 119.800 0.022 0.000 2.314 335 Q HA 0.068 4.408 4.340 -0.000 0.000 0.258 335 Q C -0.245 175.772 176.000 0.028 0.000 0.954 335 Q CA -0.378 55.437 55.803 0.020 0.000 0.890 335 Q CB 0.875 29.622 28.738 0.015 0.000 1.210 335 Q HN 0.282 nan 8.270 nan 0.000 0.410 336 L N 5.123 126.364 121.223 0.029 0.000 2.490 336 L HA 0.146 4.486 4.340 -0.000 0.000 0.274 336 L C -2.107 174.784 176.870 0.035 0.000 1.201 336 L CA -0.768 54.097 54.840 0.042 0.000 0.869 336 L CB 0.020 42.103 42.059 0.040 0.000 1.123 336 L HN 0.427 nan 8.230 nan 0.000 0.484 337 P HA 0.052 nan 4.420 nan 0.000 0.267 337 P C -0.990 176.321 177.300 0.017 0.000 1.201 337 P CA 0.035 63.152 63.100 0.027 0.000 0.775 337 P CB 0.276 31.989 31.700 0.023 0.000 0.854 338 T N 1.785 116.340 114.554 0.002 0.000 2.817 338 T HA 0.439 4.789 4.350 -0.000 0.000 0.293 338 T C 0.325 175.021 174.700 -0.007 0.000 0.964 338 T CA -0.340 61.757 62.100 -0.005 0.000 1.085 338 T CB 0.567 69.431 68.868 -0.008 0.000 0.921 338 T HN 0.467 nan 8.240 nan 0.000 0.502 339 A N 2.742 125.559 122.820 -0.005 0.000 2.531 339 A HA 0.522 4.842 4.320 -0.000 0.000 0.236 339 A C 0.877 178.458 177.584 -0.004 0.000 1.062 339 A CA -0.398 51.643 52.037 0.007 0.000 0.760 339 A CB -0.248 18.753 19.000 0.001 0.000 0.995 339 A HN 1.083 nan 8.150 nan 0.000 0.501 340 A N 3.784 126.602 122.820 -0.004 0.000 2.445 340 A HA 0.549 4.869 4.320 -0.000 0.000 0.242 340 A C -1.389 176.193 177.584 -0.003 0.000 1.075 340 A CA -0.888 51.136 52.037 -0.022 0.000 0.777 340 A CB -0.513 18.461 19.000 -0.043 0.000 1.013 340 A HN 0.808 nan 8.150 nan 0.000 0.493 341 P HA 0.166 nan 4.420 nan 0.000 0.274 341 P C -0.490 176.813 177.300 0.005 0.000 1.231 341 P CA -0.364 62.735 63.100 -0.001 0.000 0.790 341 P CB 0.562 32.260 31.700 -0.005 0.000 0.951 342 E N 2.322 122.526 120.200 0.007 0.000 2.413 342 E HA 0.100 4.450 4.350 -0.000 0.000 0.263 342 E C -1.537 175.069 176.600 0.010 0.000 1.015 342 E CA -0.944 55.463 56.400 0.011 0.000 0.916 342 E CB -0.293 29.413 29.700 0.010 0.000 0.947 342 E HN 0.445 nan 8.360 nan 0.000 0.440 343 P HA 0.080 nan 4.420 nan 0.000 0.269 343 P C -0.698 176.608 177.300 0.011 0.000 1.215 343 P CA -0.276 62.831 63.100 0.011 0.000 0.780 343 P CB 0.592 32.302 31.700 0.016 0.000 0.898 344 A N 2.726 125.550 122.820 0.007 0.000 2.445 344 A HA 0.131 4.451 4.320 -0.000 0.000 0.242 344 A C 0.592 178.180 177.584 0.006 0.000 1.075 344 A CA -0.165 51.875 52.037 0.004 0.000 0.777 344 A CB -0.074 18.924 19.000 -0.002 0.000 1.013 344 A HN 0.519 nan 8.150 nan 0.000 0.493 345 K N 2.802 123.205 120.400 0.005 0.000 2.284 345 K HA 0.350 4.670 4.320 -0.000 0.000 0.287 345 K C -0.612 175.982 176.600 -0.010 0.000 1.081 345 K CA -0.112 56.179 56.287 0.007 0.000 0.910 345 K CB 0.369 32.875 32.500 0.010 0.000 1.088 345 K HN 0.441 nan 8.250 nan 0.000 0.478 346 V N 3.757 123.658 119.914 -0.022 0.000 2.811 346 V HA -0.029 4.091 4.120 -0.000 0.000 0.302 346 V C 0.524 176.575 176.094 -0.071 0.000 1.063 346 V CA -0.290 61.965 62.300 -0.075 0.000 1.088 346 V CB 0.737 32.477 31.823 -0.137 0.000 0.982 346 V HN 0.710 nan 8.190 nan 0.000 0.485 347 D N 2.841 123.184 120.400 -0.095 0.000 2.455 347 D HA 0.259 4.898 4.640 -0.000 0.000 0.241 347 D C -0.054 176.249 176.300 0.005 0.000 1.138 347 D CA 0.351 54.327 54.000 -0.039 0.000 0.877 347 D CB 0.994 41.777 40.800 -0.028 0.000 1.187 347 D HN 0.534 nan 8.370 nan 0.000 0.451 348 Q N 2.170 122.016 119.800 0.077 0.000 2.350 348 Q HA 0.208 4.548 4.340 -0.000 0.000 0.255 348 Q C -1.344 174.716 176.000 0.100 0.000 0.951 348 Q CA -0.755 55.142 55.803 0.158 0.000 0.751 348 Q CB 0.993 29.814 28.738 0.137 0.000 1.296 348 Q HN 0.379 nan 8.270 nan 0.000 0.453 349 D N 1.893 122.354 120.400 0.100 0.000 2.425 349 D HA 0.346 4.986 4.640 -0.000 0.000 0.274 349 D C 0.310 176.633 176.300 0.039 0.000 1.242 349 D CA -0.007 54.027 54.000 0.058 0.000 1.060 349 D CB 0.393 41.224 40.800 0.051 0.000 1.112 349 D HN 0.436 nan 8.370 nan 0.000 0.561 350 A N -1.131 121.704 122.820 0.026 0.000 2.302 350 A HA 0.466 4.786 4.320 -0.000 0.000 0.219 350 A C 0.994 178.583 177.584 0.008 0.000 1.243 350 A CA 0.392 52.439 52.037 0.017 0.000 0.856 350 A CB -1.111 17.898 19.000 0.015 0.000 0.893 350 A HN 0.534 nan 8.150 nan 0.000 0.491 351 G N -0.631 108.170 108.800 0.002 0.000 2.849 351 G HA2 0.433 4.393 3.960 -0.000 0.000 0.174 351 G HA3 0.433 4.393 3.960 -0.000 0.000 0.174 351 G C -0.039 174.840 174.900 -0.034 0.000 1.370 351 G CA -1.047 44.046 45.100 -0.013 0.000 1.040 351 G HN 0.430 nan 8.290 nan 0.000 0.582 352 R N -0.745 119.722 120.500 -0.055 0.000 2.697 352 R HA 0.132 4.471 4.340 -0.000 0.000 0.265 352 R C -0.614 175.605 176.300 -0.135 0.000 1.009 352 R CA -0.062 55.989 56.100 -0.080 0.000 1.099 352 R CB 0.057 30.306 30.300 -0.085 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.635 123.789 121.223 -0.115 0.000 2.375 353 L HA 0.205 4.545 4.340 -0.000 0.000 0.271 353 L C 0.679 177.445 176.870 -0.173 0.000 1.107 353 L CA -0.102 54.668 54.840 -0.116 0.000 0.806 353 L CB 0.518 42.540 42.059 -0.061 0.000 1.146 353 L HN 0.370 nan 8.230 nan 0.000 0.447 354 H N 2.039 121.100 119.070 -0.014 0.000 2.525 354 H HA 0.156 4.712 4.556 -0.000 0.000 0.339 354 H C -1.642 173.664 175.328 -0.038 0.000 1.109 354 H CA -1.601 54.444 56.048 -0.004 0.000 1.352 354 H CB 1.416 31.188 29.762 0.016 0.000 1.461 354 H HN 0.376 nan 8.280 nan 0.000 0.533 355 P HA -0.181 nan 4.420 nan 0.000 0.216 355 P C 1.057 178.342 177.300 -0.025 0.000 1.153 355 P CA 1.415 64.487 63.100 -0.048 0.000 0.858 355 P CB 0.460 32.237 31.700 0.128 0.000 0.789 356 E N -1.081 119.225 120.200 0.177 0.000 2.070 356 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 356 E C 2.012 178.688 176.600 0.126 0.000 1.004 356 E CA 1.902 58.429 56.400 0.212 0.000 0.805 356 E CB -1.566 28.211 29.700 0.128 0.000 0.744 356 E HN 0.240 nan 8.360 nan 0.000 0.451 357 T N 0.303 114.906 114.554 0.082 0.000 2.720 357 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 357 T C 2.006 176.700 174.700 -0.009 0.000 1.037 357 T CA 1.384 63.514 62.100 0.051 0.000 1.144 357 T CB -0.381 68.528 68.868 0.068 0.000 0.864 357 T HN -0.024 nan 8.240 nan 0.000 0.444 358 V N 0.810 120.652 119.914 -0.119 0.000 2.287 358 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 358 V C 2.096 178.081 176.094 -0.183 0.000 1.053 358 V CA 1.774 63.940 62.300 -0.223 0.000 1.027 358 V CB -0.880 30.683 31.823 -0.432 0.000 0.646 358 V HN 0.483 nan 8.190 nan 0.000 0.447 359 F N 0.277 120.238 119.950 0.018 0.000 2.134 359 F HA -0.169 4.358 4.527 0.000 0.000 0.299 359 F C 2.413 178.205 175.800 -0.014 0.000 1.097 359 F CA 1.452 59.442 58.000 -0.017 0.000 1.264 359 F CB -0.455 38.521 39.000 -0.040 0.000 1.001 359 F HN 0.180 nan 8.300 nan 0.000 0.479 360 D N -0.178 120.324 120.400 0.170 0.000 2.123 360 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 360 D C 2.257 178.603 176.300 0.077 0.000 0.992 360 D CA 1.814 55.874 54.000 0.101 0.000 0.833 360 D CB -0.791 40.055 40.800 0.077 0.000 0.954 360 D HN 0.167 nan 8.370 nan 0.000 0.455 361 T N 1.023 115.613 114.554 0.060 0.000 2.708 361 T HA -0.068 4.281 4.350 -0.000 0.000 0.266 361 T C 2.238 176.980 174.700 0.069 0.000 1.037 361 T CA 0.485 62.614 62.100 0.049 0.000 1.146 361 T CB -0.339 68.544 68.868 0.026 0.000 0.865 361 T HN 0.107 nan 8.240 nan 0.000 0.435 362 L N 1.258 122.537 121.223 0.094 0.000 2.042 362 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 362 L C 2.721 179.691 176.870 0.167 0.000 1.076 362 L CA 1.327 56.258 54.840 0.152 0.000 0.749 362 L CB -0.597 41.601 42.059 0.231 0.000 0.893 362 L HN 0.403 nan 8.230 nan 0.000 0.432 363 N N -0.306 118.472 118.700 0.131 0.000 2.149 363 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 363 N C 1.270 176.830 175.510 0.083 0.000 1.019 363 N CA 1.520 54.631 53.050 0.102 0.000 0.857 363 N CB 0.106 38.625 38.487 0.055 0.000 0.997 363 N HN 0.337 nan 8.380 nan 0.000 0.426 364 D N 0.290 120.731 120.400 0.067 0.000 2.149 364 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 364 D C 1.841 178.169 176.300 0.047 0.000 0.972 364 D CA 1.022 55.051 54.000 0.049 0.000 0.835 364 D CB -0.030 40.794 40.800 0.040 0.000 0.966 364 D HN 0.441 nan 8.370 nan 0.000 0.476 365 M N 0.311 119.945 119.600 0.056 0.000 2.486 365 M HA 0.165 4.645 4.480 -0.000 0.000 0.264 365 M C 0.963 177.288 176.300 0.043 0.000 1.125 365 M CA 0.005 55.332 55.300 0.044 0.000 1.144 365 M CB 0.395 33.019 32.600 0.039 0.000 1.353 365 M HN -0.192 nan 8.290 nan 0.000 0.466 366 A N 2.645 125.507 122.820 0.070 0.000 2.425 366 A HA 0.369 4.689 4.320 -0.000 0.000 0.249 366 A C -2.046 175.552 177.584 0.025 0.000 1.084 366 A CA -1.191 50.873 52.037 0.046 0.000 0.781 366 A CB -0.679 18.379 19.000 0.097 0.000 1.019 366 A HN 0.132 nan 8.150 nan 0.000 0.490 367 P HA 0.047 nan 4.420 nan 0.000 0.269 367 P C 0.179 177.473 177.300 -0.009 0.000 1.217 367 P CA -0.030 63.059 63.100 -0.017 0.000 0.783 367 P CB 0.525 32.203 31.700 -0.036 0.000 0.898 368 E N 1.206 121.403 120.200 -0.004 0.000 2.265 368 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 368 E C 0.824 177.419 176.600 -0.009 0.000 0.996 368 E CA 0.919 57.320 56.400 0.002 0.000 0.832 368 E CB -0.272 29.425 29.700 -0.005 0.000 0.756 368 E HN 0.533 nan 8.360 nan 0.000 0.491 369 N N 0.629 119.312 118.700 -0.027 0.000 2.321 369 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 369 N C -0.171 175.299 175.510 -0.067 0.000 1.141 369 N CA -0.122 52.906 53.050 -0.036 0.000 0.864 369 N CB 0.217 38.684 38.487 -0.032 0.000 1.100 369 N HN -0.059 nan 8.380 nan 0.000 0.510 370 A N 0.768 123.524 122.820 -0.107 0.000 2.406 370 A HA 0.485 4.805 4.320 -0.000 0.000 0.243 370 A C 0.081 177.501 177.584 -0.274 0.000 1.082 370 A CA -0.156 51.737 52.037 -0.240 0.000 0.786 370 A CB 0.166 18.930 19.000 -0.393 0.000 1.029 370 A HN 0.395 nan 8.150 nan 0.000 0.495 371 I N 0.892 121.271 120.570 -0.318 0.000 2.418 371 I HA 0.317 4.487 4.170 -0.000 0.000 0.287 371 I C -1.270 174.698 176.117 -0.248 0.000 1.008 371 I CA -0.241 60.961 61.300 -0.164 0.000 1.104 371 I CB 1.292 39.285 38.000 -0.011 0.000 1.264 371 I HN 0.611 nan 8.210 nan 0.000 0.438 372 Y N 6.081 126.402 120.300 0.035 0.000 2.387 372 Y HA 0.645 5.195 4.550 -0.000 0.000 0.330 372 Y C -0.356 175.552 175.900 0.014 0.000 1.133 372 Y CA -0.803 57.317 58.100 0.035 0.000 1.152 372 Y CB 1.451 39.944 38.460 0.055 0.000 1.215 372 Y HN 0.333 nan 8.280 nan 0.000 0.466 373 L N 2.631 123.959 121.223 0.174 0.000 2.386 373 L HA 0.402 4.742 4.340 -0.000 0.000 0.271 373 L C -0.606 176.331 176.870 0.111 0.000 0.993 373 L CA -0.499 54.392 54.840 0.085 0.000 0.819 373 L CB 1.943 44.039 42.059 0.062 0.000 1.294 373 L HN 0.671 nan 8.230 nan 0.000 0.414 374 N N 1.974 120.723 118.700 0.082 0.000 2.442 374 N HA 0.320 5.060 4.740 -0.000 0.000 0.274 374 N C -0.818 174.903 175.510 0.352 0.000 1.002 374 N CA -0.219 52.983 53.050 0.254 0.000 0.910 374 N CB 1.230 39.914 38.487 0.328 0.000 1.244 374 N HN 0.758 nan 8.380 nan 0.000 0.492 375 E N 2.474 122.848 120.200 0.290 0.000 3.843 375 E HA 0.049 4.399 4.350 -0.000 0.000 0.189 375 E C -1.316 175.433 176.600 0.248 0.000 1.013 375 E CA -0.098 56.449 56.400 0.245 0.000 1.395 375 E CB 0.474 30.269 29.700 0.159 0.000 1.136 375 E HN 0.352 nan 8.360 nan 0.000 0.444 376 S N 0.454 116.333 115.700 0.298 0.000 2.497 376 S HA 0.052 4.522 4.470 -0.000 0.000 0.176 376 S C 1.431 176.206 174.600 0.291 0.000 1.445 376 S CA 0.120 58.481 58.200 0.268 0.000 1.092 376 S CB 0.058 63.429 63.200 0.286 0.000 1.216 376 S HN 0.473 nan 8.310 nan 0.000 0.486 377 T N 0.266 114.996 114.554 0.293 0.000 2.792 377 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 377 T C 1.626 176.458 174.700 0.221 0.000 1.059 377 T CA 2.024 64.307 62.100 0.305 0.000 1.136 377 T CB -0.683 68.354 68.868 0.281 0.000 0.846 377 T HN 0.685 nan 8.240 nan 0.000 0.489 378 S N 0.584 116.394 115.700 0.184 0.000 2.556 378 S HA 0.170 4.640 4.470 -0.000 0.000 0.216 378 S C 1.523 176.165 174.600 0.071 0.000 0.970 378 S CA 0.239 58.495 58.200 0.093 0.000 0.912 378 S CB -0.178 63.096 63.200 0.124 0.000 0.790 378 S HN 0.783 nan 8.310 nan 0.000 0.504 379 T N -3.179 111.464 114.554 0.149 0.000 3.145 379 T HA 0.210 4.560 4.350 -0.000 0.000 0.281 379 T C 1.218 175.992 174.700 0.124 0.000 1.003 379 T CA 0.251 62.469 62.100 0.196 0.000 0.901 379 T CB -0.238 68.867 68.868 0.395 0.000 1.112 379 T HN 0.142 nan 8.240 nan 0.000 0.535 380 T N 2.351 116.956 114.554 0.085 0.000 2.699 380 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 380 T C 2.371 177.091 174.700 0.033 0.000 1.036 380 T CA 1.762 63.899 62.100 0.062 0.000 1.147 380 T CB -0.718 68.166 68.868 0.027 0.000 0.862 380 T HN 0.648 nan 8.240 nan 0.000 0.446 381 A N 1.424 124.228 122.820 -0.027 0.000 1.858 381 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 381 A C 2.326 179.886 177.584 -0.040 0.000 1.190 381 A CA 1.805 53.818 52.037 -0.040 0.000 0.617 381 A CB -0.753 18.192 19.000 -0.092 0.000 0.827 381 A HN 0.476 nan 8.150 nan 0.000 0.443 382 Q N -0.926 118.842 119.800 -0.053 0.000 2.124 382 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 382 Q C 2.119 177.940 176.000 -0.298 0.000 0.977 382 Q CA 1.690 57.459 55.803 -0.058 0.000 0.850 382 Q CB -0.485 28.314 28.738 0.103 0.000 0.901 382 Q HN 0.780 nan 8.270 nan 0.000 0.429 383 M N -1.141 118.056 119.600 -0.673 0.000 2.080 383 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 383 M C 1.161 177.081 176.300 -0.633 0.000 1.068 383 M CA 1.682 56.219 55.300 -1.270 0.000 1.109 383 M CB -0.163 31.690 32.600 -1.245 0.000 1.342 383 M HN 0.308 nan 8.290 nan 0.000 0.405 384 W N 0.724 121.764 121.300 -0.433 0.000 2.421 384 W HA -0.159 4.501 4.660 0.000 0.000 0.270 384 W C 2.300 178.704 176.519 -0.192 0.000 1.233 384 W CA 1.238 58.390 57.345 -0.321 0.000 1.226 384 W CB -0.028 29.272 29.460 -0.266 0.000 1.121 384 W HN 0.399 nan 8.180 nan 0.000 0.579 385 Q N -0.905 118.909 119.800 0.023 0.000 2.250 385 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 385 Q C 1.817 177.806 176.000 -0.019 0.000 0.941 385 Q CA 0.747 56.567 55.803 0.029 0.000 0.872 385 Q CB -0.020 28.725 28.738 0.010 0.000 0.965 385 Q HN 0.260 nan 8.270 nan 0.000 0.480 386 R N -0.254 120.188 120.500 -0.096 0.000 2.334 386 R HA 0.236 4.576 4.340 -0.000 0.000 0.216 386 R C -0.110 176.129 176.300 -0.101 0.000 0.905 386 R CA 0.040 56.104 56.100 -0.059 0.000 1.064 386 R CB 0.555 30.869 30.300 0.023 0.000 1.046 386 R HN 0.058 nan 8.270 nan 0.000 0.508 387 L N 1.441 122.534 121.223 -0.216 0.000 2.305 387 L HA 0.281 4.621 4.340 -0.000 0.000 0.284 387 L C -0.394 176.361 176.870 -0.191 0.000 1.013 387 L CA -0.548 54.127 54.840 -0.274 0.000 0.819 387 L CB 1.674 43.378 42.059 -0.592 0.000 1.227 387 L HN 0.121 nan 8.230 nan 0.000 0.417 388 N N 5.163 123.805 118.700 -0.096 0.000 2.439 388 N HA 0.314 5.054 4.740 -0.000 0.000 0.243 388 N C -0.838 174.636 175.510 -0.059 0.000 1.088 388 N CA -0.505 52.504 53.050 -0.069 0.000 0.940 388 N CB 0.546 39.016 38.487 -0.028 0.000 1.180 388 N HN 0.572 nan 8.380 nan 0.000 0.505 389 M N 3.656 123.186 119.600 -0.117 0.000 2.055 389 M HA 0.244 4.724 4.480 -0.000 0.000 0.346 389 M C 0.952 177.181 176.300 -0.119 0.000 1.074 389 M CA -0.438 54.810 55.300 -0.087 0.000 1.009 389 M CB 1.496 34.014 32.600 -0.138 0.000 1.423 389 M HN 0.446 nan 8.290 nan 0.000 0.410 390 R N 0.564 121.016 120.500 -0.081 0.000 2.127 390 R HA 0.117 4.457 4.340 -0.000 0.000 0.217 390 R C 0.406 176.643 176.300 -0.104 0.000 1.074 390 R CA 0.684 56.725 56.100 -0.099 0.000 0.991 390 R CB 0.118 30.377 30.300 -0.068 0.000 0.895 390 R HN 0.632 nan 8.270 nan 0.000 0.450 391 N N 1.198 119.854 118.700 -0.073 0.000 2.485 391 N HA 0.298 5.038 4.740 -0.000 0.000 0.280 391 N C -2.594 172.883 175.510 -0.056 0.000 1.205 391 N CA -1.616 51.396 53.050 -0.062 0.000 0.959 391 N CB 0.608 39.071 38.487 -0.040 0.000 1.206 391 N HN -0.218 nan 8.380 nan 0.000 0.545 392 P HA 0.142 nan 4.420 nan 0.000 0.274 392 P C 0.276 177.571 177.300 -0.008 0.000 1.256 392 P CA 0.134 63.221 63.100 -0.022 0.000 0.795 392 P CB 0.266 31.961 31.700 -0.008 0.000 1.038 393 G N 0.501 109.295 108.800 -0.009 0.000 2.395 393 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.300 393 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.300 393 G C 0.521 175.415 174.900 -0.010 0.000 0.998 393 G CA 0.551 45.656 45.100 0.007 0.000 1.046 393 G HN 0.422 nan 8.290 nan 0.000 0.513 394 S N -1.462 114.191 115.700 -0.078 0.000 2.559 394 S HA 0.372 4.842 4.470 -0.000 0.000 0.226 394 S C -0.116 174.511 174.600 0.044 0.000 1.000 394 S CA 0.103 58.303 58.200 -0.000 0.000 0.948 394 S CB 0.612 63.822 63.200 0.018 0.000 0.870 394 S HN 0.770 nan 8.310 nan 0.000 0.497 395 Y N 0.681 120.771 120.300 -0.350 0.000 2.479 395 Y HA 0.565 5.115 4.550 -0.000 0.000 0.338 395 Y C -2.207 173.377 175.900 -0.526 0.000 1.055 395 Y CA -1.302 56.619 58.100 -0.298 0.000 1.023 395 Y CB 1.046 39.294 38.460 -0.353 0.000 1.287 395 Y HN 0.070 nan 8.280 nan 0.000 0.447 396 Y N 6.438 126.462 120.300 -0.460 0.000 2.433 396 Y HA 0.563 5.113 4.550 -0.000 0.000 0.337 396 Y C -1.523 174.260 175.900 -0.194 0.000 1.026 396 Y CA -1.068 56.944 58.100 -0.147 0.000 1.037 396 Y CB 2.156 40.693 38.460 0.129 0.000 1.245 396 Y HN 0.590 nan 8.280 nan 0.000 0.443 397 F N 3.117 123.064 119.950 -0.005 0.000 2.574 397 F HA 0.513 5.040 4.527 -0.000 0.000 0.313 397 F C -0.258 175.506 175.800 -0.060 0.000 1.130 397 F CA -1.777 56.247 58.000 0.041 0.000 0.936 397 F CB 0.888 39.967 39.000 0.131 0.000 1.219 397 F HN 0.727 nan 8.300 nan 0.000 0.445 398 C N 4.717 123.543 119.300 -0.790 0.000 2.262 398 C HA 0.346 4.806 4.460 -0.000 0.000 0.410 398 C C 1.720 176.337 174.990 -0.621 0.000 1.495 398 C CA -0.022 58.429 59.018 -0.945 0.000 1.410 398 C CB -1.569 25.764 27.740 -0.677 0.000 2.542 398 C HN 1.064 nan 8.230 nan 0.000 0.624 399 A N 3.258 125.814 122.820 -0.441 0.000 2.032 399 A HA 0.130 4.450 4.320 -0.000 0.000 0.221 399 A C 2.254 179.779 177.584 -0.097 0.000 1.165 399 A CA 2.044 53.991 52.037 -0.150 0.000 0.645 399 A CB -0.415 18.491 19.000 -0.157 0.000 0.807 399 A HN 1.717 nan 8.150 nan 0.000 0.453 400 A N -2.609 120.112 122.820 -0.166 0.000 2.390 400 A HA 0.470 4.790 4.320 -0.000 0.000 0.232 400 A C 1.627 179.134 177.584 -0.128 0.000 1.233 400 A CA 0.975 52.952 52.037 -0.101 0.000 0.907 400 A CB -0.530 18.423 19.000 -0.078 0.000 0.967 400 A HN 1.857 nan 8.150 nan 0.000 0.512 401 G N -1.007 107.676 108.800 -0.196 0.000 2.148 401 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.254 401 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.254 401 G C 0.680 175.448 174.900 -0.220 0.000 0.981 401 G CA 0.203 45.188 45.100 -0.191 0.000 0.670 401 G HN 1.459 nan 8.290 nan 0.000 0.528 402 G N 0.307 108.968 108.800 -0.232 0.000 2.365 402 G HA2 0.562 4.522 3.960 -0.000 0.000 0.293 402 G HA3 0.562 4.522 3.960 -0.000 0.000 0.293 402 G C 0.540 175.293 174.900 -0.245 0.000 1.128 402 G CA -0.502 44.473 45.100 -0.209 0.000 0.971 402 G HN 0.609 nan 8.290 nan 0.000 0.422 403 L N 1.804 122.802 121.223 -0.376 0.000 2.467 403 L HA 0.431 4.771 4.340 -0.000 0.000 0.270 403 L C 1.477 178.136 176.870 -0.352 0.000 1.205 403 L CA 0.810 55.374 54.840 -0.460 0.000 0.828 403 L CB 0.930 42.465 42.059 -0.875 0.000 1.101 403 L HN 0.826 nan 8.230 nan 0.000 0.479 404 G N 1.461 110.211 108.800 -0.083 0.000 2.154 404 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.186 404 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.186 404 G C 0.097 175.065 174.900 0.115 0.000 1.000 404 G CA 0.220 45.381 45.100 0.101 0.000 0.664 404 G HN 0.637 nan 8.290 nan 0.000 0.513 405 F N 1.459 121.375 119.950 -0.056 0.000 2.222 405 F HA 0.547 5.074 4.527 0.000 0.000 0.285 405 F C 2.539 178.328 175.800 -0.018 0.000 1.068 405 F CA 1.840 59.807 58.000 -0.055 0.000 1.265 405 F CB -0.583 38.349 39.000 -0.113 0.000 1.087 405 F HN 0.246 nan 8.300 nan 0.000 0.511 406 A N 1.553 124.292 122.820 -0.135 0.000 1.896 406 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 406 A C 2.335 179.835 177.584 -0.138 0.000 1.206 406 A CA 2.345 54.263 52.037 -0.199 0.000 0.647 406 A CB -1.560 17.481 19.000 0.068 0.000 0.828 406 A HN 0.617 nan 8.150 nan 0.000 0.455 407 L N 0.097 121.336 121.223 0.026 0.000 1.970 407 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 407 L C -0.256 176.684 176.870 0.118 0.000 1.071 407 L CA 2.301 57.244 54.840 0.171 0.000 0.751 407 L CB -0.836 41.301 42.059 0.130 0.000 0.889 407 L HN 0.308 nan 8.230 nan 0.000 0.432 408 P HA -0.136 nan 4.420 nan 0.000 0.217 408 P C 1.273 178.485 177.300 -0.147 0.000 1.151 408 P CA 1.911 64.989 63.100 -0.037 0.000 0.828 408 P CB -0.061 31.613 31.700 -0.043 0.000 0.788 409 A N 0.931 123.521 122.820 -0.384 0.000 1.933 409 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 409 A C 2.528 179.897 177.584 -0.358 0.000 1.175 409 A CA 2.180 53.884 52.037 -0.555 0.000 0.628 409 A CB -1.582 16.596 19.000 -1.370 0.000 0.814 409 A HN 0.232 nan 8.150 nan 0.000 0.444 410 A N -0.124 122.541 122.820 -0.258 0.000 1.972 410 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 410 A C 2.078 179.588 177.584 -0.123 0.000 1.169 410 A CA 1.523 53.452 52.037 -0.181 0.000 0.635 410 A CB -0.578 18.318 19.000 -0.173 0.000 0.810 410 A HN 0.535 nan 8.150 nan 0.000 0.446 411 I N -0.647 119.906 120.570 -0.029 0.000 2.286 411 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 411 I C 2.701 178.832 176.117 0.023 0.000 1.104 411 I CA 1.010 62.334 61.300 0.040 0.000 1.397 411 I CB -0.666 37.411 38.000 0.128 0.000 1.072 411 I HN 0.385 nan 8.210 nan 0.000 0.417 412 G N 0.734 109.522 108.800 -0.021 0.000 2.421 412 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 412 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 412 G C 1.726 176.663 174.900 0.061 0.000 1.171 412 G CA 0.808 45.925 45.100 0.029 0.000 0.775 412 G HN 0.213 nan 8.290 nan 0.000 0.543 413 V N 0.634 120.496 119.914 -0.087 0.000 2.295 413 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 413 V C 2.788 178.862 176.094 -0.033 0.000 1.049 413 V CA 2.309 64.541 62.300 -0.113 0.000 1.024 413 V CB -0.498 31.207 31.823 -0.197 0.000 0.648 413 V HN 0.426 nan 8.190 nan 0.000 0.447 414 Q N -0.211 119.569 119.800 -0.033 0.000 2.170 414 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 414 Q C 1.915 177.938 176.000 0.038 0.000 0.976 414 Q CA 1.777 57.569 55.803 -0.018 0.000 0.858 414 Q CB -0.523 28.188 28.738 -0.046 0.000 0.907 414 Q HN 0.565 nan 8.270 nan 0.000 0.433 415 L N -0.380 120.902 121.223 0.098 0.000 2.141 415 L HA 0.083 4.423 4.340 -0.000 0.000 0.209 415 L C 1.908 178.922 176.870 0.239 0.000 1.094 415 L CA 1.950 56.890 54.840 0.166 0.000 0.763 415 L CB -0.721 41.460 42.059 0.203 0.000 0.908 415 L HN 0.222 nan 8.230 nan 0.000 0.437 416 A N -1.584 121.356 122.820 0.202 0.000 1.975 416 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 416 A C 1.131 178.703 177.584 -0.020 0.000 1.170 416 A CA 0.715 52.755 52.037 0.005 0.000 0.656 416 A CB -0.143 18.697 19.000 -0.267 0.000 0.821 416 A HN 0.396 nan 8.150 nan 0.000 0.449 417 E N -0.026 120.173 120.200 -0.003 0.000 3.167 417 E HA 0.160 4.510 4.350 -0.000 0.000 0.212 417 E C -2.106 174.492 176.600 -0.003 0.000 1.143 417 E CA -1.703 54.691 56.400 -0.010 0.000 1.002 417 E CB 0.813 30.505 29.700 -0.014 0.000 1.315 417 E HN 0.407 nan 8.360 nan 0.000 0.422 418 P HA -0.131 nan 4.420 nan 0.000 0.221 418 P C 0.635 177.931 177.300 -0.007 0.000 1.145 418 P CA 0.995 64.099 63.100 0.007 0.000 0.795 418 P CB 0.613 32.324 31.700 0.018 0.000 0.775 419 E N -0.377 119.817 120.200 -0.010 0.000 2.479 419 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 419 E C 0.621 177.206 176.600 -0.026 0.000 1.049 419 E CA 0.194 56.584 56.400 -0.016 0.000 0.870 419 E CB 0.157 29.849 29.700 -0.013 0.000 0.944 419 E HN 0.418 nan 8.360 nan 0.000 0.492 420 R N 1.036 121.517 120.500 -0.032 0.000 2.480 420 R HA 0.251 4.591 4.340 -0.000 0.000 0.306 420 R C -0.319 175.939 176.300 -0.070 0.000 0.958 420 R CA -0.844 55.227 56.100 -0.048 0.000 0.861 420 R CB 1.400 31.675 30.300 -0.042 0.000 1.171 420 R HN -0.160 nan 8.270 nan 0.000 0.445 421 Q N 2.385 122.131 119.800 -0.090 0.000 2.271 421 Q HA 0.106 4.446 4.340 -0.000 0.000 0.273 421 Q C -0.901 174.997 176.000 -0.171 0.000 1.051 421 Q CA 0.204 55.937 55.803 -0.117 0.000 0.901 421 Q CB 0.872 29.541 28.738 -0.115 0.000 1.174 421 Q HN 0.392 nan 8.270 nan 0.000 0.385 422 V N 6.855 126.670 119.914 -0.166 0.000 2.439 422 V HA 0.417 4.537 4.120 -0.000 0.000 0.282 422 V C 0.096 176.046 176.094 -0.240 0.000 1.039 422 V CA -0.440 61.743 62.300 -0.196 0.000 0.913 422 V CB 1.098 32.822 31.823 -0.164 0.000 0.983 422 V HN 0.723 nan 8.190 nan 0.000 0.460 423 I N 4.301 124.721 120.570 -0.249 0.000 2.439 423 I HA 0.597 4.767 4.170 -0.000 0.000 0.283 423 I C 0.117 176.208 176.117 -0.044 0.000 1.023 423 I CA -0.510 60.687 61.300 -0.172 0.000 1.100 423 I CB 1.742 39.650 38.000 -0.153 0.000 1.238 423 I HN 0.640 nan 8.210 nan 0.000 0.445 424 A N 6.713 129.484 122.820 -0.080 0.000 2.249 424 A HA 0.674 4.994 4.320 -0.000 0.000 0.314 424 A C -0.381 177.276 177.584 0.121 0.000 1.290 424 A CA -0.441 51.613 52.037 0.029 0.000 0.893 424 A CB 0.755 19.744 19.000 -0.019 0.000 1.165 424 A HN 0.458 nan 8.150 nan 0.000 0.530 425 V N 5.097 125.125 119.914 0.191 0.000 2.334 425 V HA 0.328 4.448 4.120 -0.000 0.000 0.267 425 V C -0.145 176.064 176.094 0.192 0.000 1.040 425 V CA 0.161 62.581 62.300 0.200 0.000 0.866 425 V CB 0.076 32.083 31.823 0.305 0.000 1.019 425 V HN 0.705 nan 8.190 nan 0.000 0.468 426 I N 3.637 124.294 120.570 0.145 0.000 2.509 426 I HA 0.576 4.746 4.170 -0.000 0.000 0.293 426 I C 0.964 177.128 176.117 0.079 0.000 1.020 426 I CA -0.559 60.824 61.300 0.137 0.000 1.088 426 I CB 1.982 40.069 38.000 0.145 0.000 1.267 426 I HN 0.639 nan 8.210 nan 0.000 0.430 427 G N 2.856 111.730 108.800 0.123 0.000 2.544 427 G HA2 0.042 4.002 3.960 -0.000 0.000 0.242 427 G HA3 0.042 4.002 3.960 -0.000 0.000 0.242 427 G C 0.865 175.797 174.900 0.053 0.000 1.247 427 G CA -0.277 44.886 45.100 0.106 0.000 0.840 427 G HN 0.851 nan 8.290 nan 0.000 0.578 428 D N 0.801 121.199 120.400 -0.003 0.000 2.182 428 D HA -0.115 4.524 4.640 -0.000 0.000 0.201 428 D C 2.029 178.506 176.300 0.295 0.000 0.986 428 D CA 1.374 55.351 54.000 -0.038 0.000 0.847 428 D CB -0.607 40.235 40.800 0.071 0.000 0.942 428 D HN 0.459 nan 8.370 nan 0.000 0.467 429 G N 0.329 109.326 108.800 0.328 0.000 2.395 429 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 429 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 429 G C 1.862 177.098 174.900 0.560 0.000 1.177 429 G CA 0.759 46.160 45.100 0.500 0.000 0.794 429 G HN 0.327 nan 8.290 nan 0.000 0.532 430 S N 1.212 117.199 115.700 0.479 0.000 2.383 430 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 430 S C 2.736 177.605 174.600 0.448 0.000 1.030 430 S CA 1.149 59.631 58.200 0.469 0.000 1.002 430 S CB -0.366 62.981 63.200 0.247 0.000 0.829 430 S HN 0.573 nan 8.310 nan 0.000 0.467 431 A N 2.553 125.563 122.820 0.316 0.000 2.032 431 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 431 A C 1.888 179.654 177.584 0.302 0.000 1.165 431 A CA 1.484 53.684 52.037 0.272 0.000 0.645 431 A CB -0.551 18.575 19.000 0.209 0.000 0.807 431 A HN 0.514 nan 8.150 nan 0.000 0.453 432 N N -1.195 117.687 118.700 0.303 0.000 2.216 432 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 432 N C 1.512 177.069 175.510 0.078 0.000 1.017 432 N CA 1.499 54.637 53.050 0.147 0.000 0.861 432 N CB -0.526 37.981 38.487 0.032 0.000 0.986 432 N HN 0.636 nan 8.380 nan 0.000 0.428 433 Y N 1.559 121.937 120.300 0.130 0.000 2.102 433 Y HA -0.140 4.410 4.550 -0.000 0.000 0.280 433 Y C 1.627 177.569 175.900 0.072 0.000 1.178 433 Y CA 1.195 59.351 58.100 0.094 0.000 1.146 433 Y CB -0.256 38.255 38.460 0.085 0.000 0.968 433 Y HN -0.048 nan 8.280 nan 0.000 0.504 434 S N -0.821 115.013 115.700 0.224 0.000 2.668 434 S HA 0.143 4.613 4.470 -0.000 0.000 0.244 434 S C 1.160 175.804 174.600 0.074 0.000 1.140 434 S CA -0.343 57.930 58.200 0.122 0.000 1.134 434 S CB -0.068 63.194 63.200 0.103 0.000 0.954 434 S HN 0.234 nan 8.310 nan 0.000 0.490 435 I N 2.964 123.590 120.570 0.093 0.000 2.248 435 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 435 I C 2.352 178.470 176.117 0.001 0.000 1.107 435 I CA 1.881 63.235 61.300 0.089 0.000 1.373 435 I CB -0.337 37.755 38.000 0.153 0.000 1.055 435 I HN 0.476 nan 8.210 nan 0.000 0.418 436 S N 0.607 116.265 115.700 -0.071 0.000 2.469 436 S HA -0.075 4.395 4.470 -0.000 0.000 0.238 436 S C 2.183 176.553 174.600 -0.385 0.000 0.998 436 S CA 0.686 58.625 58.200 -0.436 0.000 0.957 436 S CB -0.995 62.047 63.200 -0.265 0.000 0.764 436 S HN 0.519 nan 8.310 nan 0.000 0.514 437 A N 2.231 124.962 122.820 -0.148 0.000 1.978 437 A HA 0.068 4.388 4.320 -0.000 0.000 0.220 437 A C 2.186 179.737 177.584 -0.055 0.000 1.170 437 A CA 1.339 53.346 52.037 -0.051 0.000 0.636 437 A CB -0.883 18.114 19.000 -0.004 0.000 0.810 437 A HN 0.572 nan 8.150 nan 0.000 0.448 438 L N -2.563 118.564 121.223 -0.159 0.000 2.051 438 L HA -0.280 4.060 4.340 -0.000 0.000 0.214 438 L C 2.462 179.331 176.870 -0.002 0.000 1.076 438 L CA 1.980 56.731 54.840 -0.149 0.000 0.758 438 L CB -0.561 41.429 42.059 -0.115 0.000 0.890 438 L HN 0.763 nan 8.230 nan 0.000 0.433 439 W N 0.956 122.092 121.300 -0.272 0.000 2.321 439 W HA -0.265 4.395 4.660 -0.000 0.000 0.306 439 W C 2.600 179.106 176.519 -0.021 0.000 1.217 439 W CA 2.379 59.645 57.345 -0.132 0.000 1.257 439 W CB -0.434 28.860 29.460 -0.276 0.000 1.145 439 W HN 0.004 nan 8.180 nan 0.000 0.509 440 T N 0.359 115.013 114.554 0.166 0.000 2.788 440 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 440 T C 1.927 176.687 174.700 0.100 0.000 1.044 440 T CA 1.959 64.155 62.100 0.160 0.000 1.139 440 T CB -0.915 68.129 68.868 0.293 0.000 0.867 440 T HN 0.270 nan 8.240 nan 0.000 0.454 441 A N 1.399 124.277 122.820 0.097 0.000 1.902 441 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 441 A C 2.631 180.228 177.584 0.021 0.000 1.181 441 A CA 1.850 53.962 52.037 0.127 0.000 0.623 441 A CB -1.088 18.062 19.000 0.250 0.000 0.818 441 A HN 0.511 nan 8.150 nan 0.000 0.443 442 A N -1.233 121.537 122.820 -0.082 0.000 1.855 442 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 442 A C 2.144 179.544 177.584 -0.308 0.000 1.191 442 A CA 1.631 53.574 52.037 -0.157 0.000 0.613 442 A CB -0.563 18.336 19.000 -0.168 0.000 0.829 442 A HN 0.460 nan 8.150 nan 0.000 0.442 443 Q N -0.988 118.446 119.800 -0.610 0.000 2.077 443 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 443 Q C 1.294 176.888 176.000 -0.677 0.000 0.989 443 Q CA 1.762 57.061 55.803 -0.840 0.000 0.853 443 Q CB -0.449 27.408 28.738 -1.468 0.000 0.907 443 Q HN 0.864 nan 8.270 nan 0.000 0.418 444 Y N -0.016 120.161 120.300 -0.205 0.000 2.493 444 Y HA 0.124 4.674 4.550 0.000 0.000 0.275 444 Y C 0.365 176.222 175.900 -0.071 0.000 1.183 444 Y CA -0.357 57.676 58.100 -0.110 0.000 1.258 444 Y CB -0.357 38.056 38.460 -0.079 0.000 1.108 444 Y HN 0.170 nan 8.280 nan 0.000 0.521 445 N N 1.387 120.086 118.700 -0.001 0.000 2.686 445 N HA -0.230 4.510 4.740 -0.000 0.000 0.261 445 N C -1.112 174.427 175.510 0.049 0.000 1.001 445 N CA 0.284 53.341 53.050 0.011 0.000 0.764 445 N CB -1.109 37.376 38.487 -0.004 0.000 0.898 445 N HN 0.399 nan 8.380 nan 0.000 0.544 446 I N 1.470 122.085 120.570 0.074 0.000 2.287 446 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 446 I C -1.263 174.885 176.117 0.052 0.000 1.069 446 I CA -2.011 59.330 61.300 0.069 0.000 1.237 446 I CB 1.150 39.206 38.000 0.094 0.000 1.418 446 I HN 0.128 nan 8.210 nan 0.000 0.481 447 P HA -0.066 nan 4.420 nan 0.000 0.311 447 P C 0.156 177.421 177.300 -0.057 0.000 1.543 447 P CA 0.218 63.317 63.100 -0.002 0.000 0.766 447 P CB -0.694 31.001 31.700 -0.009 0.000 1.711 448 T N 1.279 115.775 114.554 -0.096 0.000 2.926 448 T HA 0.238 4.588 4.350 -0.000 0.000 0.307 448 T C 0.760 175.205 174.700 -0.425 0.000 1.059 448 T CA 0.268 62.176 62.100 -0.320 0.000 1.122 448 T CB 0.665 69.229 68.868 -0.507 0.000 0.972 448 T HN 0.063 nan 8.240 nan 0.000 0.545 449 I N 3.208 123.499 120.570 -0.465 0.000 2.339 449 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 449 I C -0.871 174.992 176.117 -0.422 0.000 0.994 449 I CA -0.649 60.474 61.300 -0.294 0.000 1.191 449 I CB 0.926 38.846 38.000 -0.133 0.000 1.343 449 I HN 0.510 nan 8.210 nan 0.000 0.458 450 F N 5.978 125.944 119.950 0.027 0.000 2.361 450 F HA 0.378 4.905 4.527 -0.000 0.000 0.364 450 F C 0.093 175.905 175.800 0.021 0.000 1.117 450 F CA -0.879 57.139 58.000 0.030 0.000 1.071 450 F CB 1.258 40.281 39.000 0.039 0.000 1.188 450 F HN 0.016 nan 8.300 nan 0.000 0.464 451 V N 5.652 125.655 119.914 0.148 0.000 2.304 451 V HA 0.261 4.381 4.120 -0.000 0.000 0.269 451 V C 0.105 176.225 176.094 0.042 0.000 1.036 451 V CA -0.564 61.784 62.300 0.080 0.000 0.840 451 V CB 0.560 32.417 31.823 0.057 0.000 1.036 451 V HN 0.424 nan 8.190 nan 0.000 0.466 452 I N 6.055 126.610 120.570 -0.025 0.000 2.337 452 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 452 I C 0.299 176.323 176.117 -0.155 0.000 1.046 452 I CA -0.308 60.894 61.300 -0.163 0.000 1.324 452 I CB 1.200 38.936 38.000 -0.440 0.000 1.409 452 I HN 0.440 nan 8.210 nan 0.000 0.494 453 M N 5.861 125.399 119.600 -0.104 0.000 2.264 453 M HA 0.137 4.617 4.480 -0.000 0.000 0.340 453 M C 0.179 176.435 176.300 -0.074 0.000 1.420 453 M CA -0.032 55.226 55.300 -0.069 0.000 1.254 453 M CB -0.605 31.987 32.600 -0.015 0.000 1.575 453 M HN 0.357 nan 8.290 nan 0.000 0.452 454 N N 3.788 122.445 118.700 -0.072 0.000 2.527 454 N HA 0.156 4.896 4.740 -0.000 0.000 0.236 454 N C -0.054 175.473 175.510 0.028 0.000 0.999 454 N CA -0.076 52.961 53.050 -0.020 0.000 0.935 454 N CB 0.454 38.950 38.487 0.015 0.000 1.132 454 N HN 0.492 nan 8.380 nan 0.000 0.511 455 N N 2.032 120.763 118.700 0.051 0.000 2.200 455 N HA 0.160 4.900 4.740 -0.000 0.000 0.224 455 N C 0.887 176.434 175.510 0.062 0.000 1.179 455 N CA 0.079 53.160 53.050 0.052 0.000 0.877 455 N CB 0.041 38.564 38.487 0.060 0.000 1.072 455 N HN 0.445 nan 8.380 nan 0.000 0.519 456 G N -0.910 107.936 108.800 0.076 0.000 2.233 456 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.270 456 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.270 456 G C -0.024 174.886 174.900 0.017 0.000 1.011 456 G CA 1.026 46.160 45.100 0.057 0.000 0.762 456 G HN 0.805 nan 8.290 nan 0.000 0.511 457 T N -1.959 112.617 114.554 0.037 0.000 2.802 457 T HA 0.500 4.850 4.350 -0.000 0.000 0.311 457 T C -0.565 174.213 174.700 0.131 0.000 1.405 457 T CA -0.627 61.485 62.100 0.021 0.000 1.016 457 T CB 0.892 69.805 68.868 0.075 0.000 1.352 457 T HN 0.252 nan 8.240 nan 0.000 0.498 458 Y N 2.611 122.999 120.300 0.147 0.000 2.623 458 Y HA 0.237 4.787 4.550 0.000 0.000 0.341 458 Y C 1.887 177.900 175.900 0.188 0.000 1.292 458 Y CA -0.535 57.669 58.100 0.174 0.000 1.840 458 Y CB 0.023 38.586 38.460 0.173 0.000 1.865 458 Y HN 0.960 nan 8.280 nan 0.000 0.440 459 G N 1.537 110.533 108.800 0.326 0.000 2.599 459 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.219 459 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.219 459 G C 1.837 176.926 174.900 0.316 0.000 1.193 459 G CA 1.167 46.430 45.100 0.271 0.000 0.778 459 G HN 0.650 nan 8.290 nan 0.000 0.589 460 A N 0.366 123.379 122.820 0.322 0.000 1.948 460 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 460 A C 2.491 180.409 177.584 0.556 0.000 1.177 460 A CA 1.666 53.940 52.037 0.395 0.000 0.636 460 A CB -0.401 18.817 19.000 0.365 0.000 0.815 460 A HN 0.407 nan 8.150 nan 0.000 0.449 461 L N -1.553 119.927 121.223 0.429 0.000 2.093 461 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 461 L C 2.809 179.899 176.870 0.367 0.000 1.085 461 L CA 1.311 56.385 54.840 0.391 0.000 0.755 461 L CB -0.552 41.668 42.059 0.269 0.000 0.904 461 L HN 0.371 nan 8.230 nan 0.000 0.435 462 R N -0.905 119.790 120.500 0.325 0.000 2.120 462 R HA -0.223 4.117 4.340 -0.000 0.000 0.234 462 R C 2.080 178.528 176.300 0.247 0.000 1.123 462 R CA 1.789 58.037 56.100 0.246 0.000 0.975 462 R CB -0.350 30.079 30.300 0.216 0.000 0.866 462 R HN 0.412 nan 8.270 nan 0.000 0.446 463 W N 0.560 121.944 121.300 0.140 0.000 2.378 463 W HA -0.130 4.530 4.660 -0.000 0.000 0.313 463 W C 1.546 178.078 176.519 0.021 0.000 1.197 463 W CA 1.239 58.612 57.345 0.046 0.000 1.304 463 W CB -0.572 28.878 29.460 -0.016 0.000 1.148 463 W HN -0.101 nan 8.180 nan 0.000 0.494 464 F N 0.908 120.934 119.950 0.127 0.000 2.161 464 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 464 F C 2.579 178.291 175.800 -0.147 0.000 1.089 464 F CA 2.091 60.033 58.000 -0.097 0.000 1.282 464 F CB -1.247 37.826 39.000 0.121 0.000 1.010 464 F HN 0.005 nan 8.300 nan 0.000 0.485 465 A N 0.280 123.184 122.820 0.140 0.000 1.917 465 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 465 A C 2.562 180.121 177.584 -0.043 0.000 1.182 465 A CA 1.979 54.054 52.037 0.064 0.000 0.633 465 A CB -1.615 17.439 19.000 0.089 0.000 0.819 465 A HN 0.419 nan 8.150 nan 0.000 0.448 466 G N -0.248 108.469 108.800 -0.138 0.000 2.433 466 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 466 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 466 G C 1.670 176.416 174.900 -0.257 0.000 1.186 466 G CA 2.171 47.153 45.100 -0.197 0.000 0.779 466 G HN 1.053 nan 8.290 nan 0.000 0.543 467 V N -0.715 118.931 119.914 -0.446 0.000 2.343 467 V HA 0.033 4.153 4.120 -0.000 0.000 0.247 467 V C 2.614 178.605 176.094 -0.172 0.000 1.051 467 V CA 1.514 63.582 62.300 -0.387 0.000 1.036 467 V CB -0.577 30.862 31.823 -0.639 0.000 0.654 467 V HN 0.267 nan 8.190 nan 0.000 0.451 468 L N 0.160 121.324 121.223 -0.098 0.000 2.610 468 L HA 0.171 4.511 4.340 -0.000 0.000 0.232 468 L C 0.910 177.769 176.870 -0.018 0.000 1.149 468 L CA 0.530 55.365 54.840 -0.009 0.000 0.872 468 L CB -0.907 41.185 42.059 0.056 0.000 0.992 468 L HN 0.500 nan 8.230 nan 0.000 0.447 469 E N -0.190 119.982 120.200 -0.047 0.000 2.222 469 E HA -0.209 4.141 4.350 -0.000 0.000 0.189 469 E C -0.038 176.557 176.600 -0.008 0.000 1.415 469 E CA 0.230 56.611 56.400 -0.032 0.000 0.689 469 E CB -1.110 28.573 29.700 -0.028 0.000 1.107 469 E HN 0.444 nan 8.360 nan 0.000 0.350 470 A N 2.064 124.885 122.820 0.002 0.000 2.331 470 A HA 0.583 4.903 4.320 -0.000 0.000 0.320 470 A C -0.081 177.517 177.584 0.023 0.000 1.138 470 A CA -0.611 51.437 52.037 0.018 0.000 0.790 470 A CB 1.106 20.126 19.000 0.033 0.000 1.206 470 A HN 0.248 nan 8.150 nan 0.000 0.470 471 E N 1.311 121.524 120.200 0.022 0.000 2.299 471 E HA 0.398 4.748 4.350 -0.000 0.000 0.265 471 E C -0.721 175.896 176.600 0.028 0.000 0.911 471 E CA -1.223 55.191 56.400 0.025 0.000 0.789 471 E CB 1.138 30.849 29.700 0.017 0.000 1.246 471 E HN 0.668 nan 8.360 nan 0.000 0.427 472 N N -0.276 118.443 118.700 0.031 0.000 2.754 472 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 472 N C -0.934 174.598 175.510 0.038 0.000 1.093 472 N CA 0.418 53.486 53.050 0.031 0.000 0.699 472 N CB -1.269 37.233 38.487 0.024 0.000 1.016 472 N HN 0.145 nan 8.380 nan 0.000 0.552 473 V N 2.087 122.031 119.914 0.048 0.000 2.432 473 V HA 0.297 4.417 4.120 -0.000 0.000 0.271 473 V C -0.818 175.316 176.094 0.067 0.000 1.046 473 V CA -0.869 61.466 62.300 0.059 0.000 0.945 473 V CB 1.266 33.133 31.823 0.073 0.000 0.992 473 V HN 0.139 nan 8.190 nan 0.000 0.471 474 P HA 0.301 nan 4.420 nan 0.000 0.277 474 P C 0.647 178.002 177.300 0.092 0.000 1.271 474 P CA 0.227 63.366 63.100 0.065 0.000 0.795 474 P CB 0.803 32.534 31.700 0.051 0.000 1.101 475 G N 0.016 108.868 108.800 0.087 0.000 2.341 475 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.292 475 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.292 475 G C 0.534 175.548 174.900 0.192 0.000 1.021 475 G CA 0.477 45.647 45.100 0.118 0.000 0.905 475 G HN 0.484 nan 8.290 nan 0.000 0.508 476 L N -1.075 120.238 121.223 0.150 0.000 2.554 476 L HA 0.250 4.590 4.340 -0.000 0.000 0.225 476 L C 0.367 177.260 176.870 0.037 0.000 1.104 476 L CA 0.095 55.064 54.840 0.215 0.000 0.866 476 L CB 0.082 42.255 42.059 0.191 0.000 1.047 476 L HN 0.139 nan 8.230 nan 0.000 0.468 477 D N 0.506 120.874 120.400 -0.055 0.000 2.248 477 D HA 0.323 4.963 4.640 -0.000 0.000 0.246 477 D C -0.031 176.138 176.300 -0.219 0.000 1.027 477 D CA -0.080 53.847 54.000 -0.122 0.000 0.853 477 D CB 3.057 43.835 40.800 -0.036 0.000 1.243 477 D HN -0.195 nan 8.370 nan 0.000 0.462 478 V N -0.709 119.061 119.914 -0.239 0.000 2.454 478 V HA 0.354 4.474 4.120 -0.000 0.000 0.255 478 V C -2.510 173.536 176.094 -0.079 0.000 1.009 478 V CA -1.370 60.808 62.300 -0.203 0.000 1.149 478 V CB 0.455 32.095 31.823 -0.306 0.000 1.418 478 V HN 0.315 nan 8.190 nan 0.000 0.567 479 P HA 0.438 nan 4.420 nan 0.000 0.276 479 P C 0.812 178.090 177.300 -0.038 0.000 1.261 479 P CA 0.932 64.018 63.100 -0.024 0.000 0.800 479 P CB 1.360 33.049 31.700 -0.019 0.000 1.066 480 G N 0.040 108.821 108.800 -0.032 0.000 2.198 480 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.257 480 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.257 480 G C -0.177 174.658 174.900 -0.109 0.000 1.042 480 G CA -0.143 44.923 45.100 -0.057 0.000 0.791 480 G HN 0.487 nan 8.290 nan 0.000 0.502 481 I N 0.509 120.991 120.570 -0.146 0.000 2.389 481 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 481 I C -0.726 175.136 176.117 -0.424 0.000 0.999 481 I CA -0.816 60.268 61.300 -0.359 0.000 1.129 481 I CB 1.805 39.480 38.000 -0.541 0.000 1.288 481 I HN 0.025 nan 8.210 nan 0.000 0.444 482 D N 6.465 126.644 120.400 -0.369 0.000 2.456 482 D HA 0.203 4.843 4.640 -0.000 0.000 0.219 482 D C 0.607 176.748 176.300 -0.265 0.000 1.126 482 D CA -0.286 53.588 54.000 -0.210 0.000 0.890 482 D CB 0.574 41.307 40.800 -0.112 0.000 1.025 482 D HN 0.297 nan 8.370 nan 0.000 0.511 483 F N 1.994 121.952 119.950 0.013 0.000 2.293 483 F HA 0.006 4.533 4.527 -0.000 0.000 0.300 483 F C 2.368 178.178 175.800 0.017 0.000 1.086 483 F CA 0.523 58.534 58.000 0.019 0.000 1.375 483 F CB 0.013 39.033 39.000 0.033 0.000 1.045 483 F HN 0.232 nan 8.300 nan 0.000 0.516 484 R N 0.143 120.738 120.500 0.158 0.000 2.092 484 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 484 R C 2.469 178.795 176.300 0.044 0.000 1.119 484 R CA 1.097 57.256 56.100 0.099 0.000 0.970 484 R CB -0.644 29.702 30.300 0.077 0.000 0.864 484 R HN 0.262 nan 8.270 nan 0.000 0.440 485 A N 0.964 123.785 122.820 0.002 0.000 1.898 485 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 485 A C 2.110 179.660 177.584 -0.056 0.000 1.181 485 A CA 1.077 53.092 52.037 -0.037 0.000 0.620 485 A CB -0.503 18.457 19.000 -0.067 0.000 0.819 485 A HN 0.175 nan 8.150 nan 0.000 0.442 486 L N -0.767 120.422 121.223 -0.056 0.000 2.046 486 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 486 L C 3.124 180.003 176.870 0.014 0.000 1.077 486 L CA 1.087 55.897 54.840 -0.050 0.000 0.747 486 L CB -0.614 41.436 42.059 -0.016 0.000 0.896 486 L HN 0.450 nan 8.230 nan 0.000 0.432 487 A N 0.193 123.052 122.820 0.065 0.000 1.908 487 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 487 A C 2.409 180.032 177.584 0.064 0.000 1.181 487 A CA 2.084 54.172 52.037 0.085 0.000 0.627 487 A CB -0.494 18.559 19.000 0.088 0.000 0.818 487 A HN 0.351 nan 8.150 nan 0.000 0.445 488 K N -0.576 119.839 120.400 0.025 0.000 2.057 488 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 488 K C 2.026 178.611 176.600 -0.025 0.000 1.049 488 K CA 1.425 57.717 56.287 0.008 0.000 0.931 488 K CB -0.600 31.896 32.500 -0.007 0.000 0.714 488 K HN 0.379 nan 8.250 nan 0.000 0.440 489 G N -0.166 108.571 108.800 -0.106 0.000 2.469 489 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 489 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 489 G C 0.857 175.588 174.900 -0.282 0.000 1.136 489 G CA 0.965 45.908 45.100 -0.262 0.000 0.759 489 G HN 0.455 nan 8.290 nan 0.000 0.562 490 Y N -0.013 120.345 120.300 0.096 0.000 2.607 490 Y HA 0.377 4.927 4.550 0.000 0.000 0.266 490 Y C 1.764 177.742 175.900 0.130 0.000 1.178 490 Y CA -0.211 58.004 58.100 0.191 0.000 1.226 490 Y CB 0.694 39.271 38.460 0.194 0.000 1.144 490 Y HN 0.268 nan 8.280 nan 0.000 0.528 491 G N 0.877 109.780 108.800 0.171 0.000 2.176 491 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 491 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 491 G C -0.480 174.458 174.900 0.064 0.000 1.024 491 G CA 0.178 45.331 45.100 0.089 0.000 0.755 491 G HN 0.144 nan 8.290 nan 0.000 0.507 492 V N 0.551 120.516 119.914 0.085 0.000 2.459 492 V HA 0.416 4.536 4.120 -0.000 0.000 0.295 492 V C 0.839 176.979 176.094 0.077 0.000 1.029 492 V CA -0.734 61.615 62.300 0.081 0.000 0.874 492 V CB 1.878 33.755 31.823 0.091 0.000 0.985 492 V HN 0.513 nan 8.190 nan 0.000 0.438 493 Q N 2.560 122.404 119.800 0.073 0.000 2.286 493 Q HA 0.381 4.721 4.340 -0.000 0.000 0.290 493 Q C -0.178 175.870 176.000 0.080 0.000 1.049 493 Q CA 0.153 55.995 55.803 0.065 0.000 0.923 493 Q CB 0.776 29.549 28.738 0.058 0.000 1.183 493 Q HN 0.941 nan 8.270 nan 0.000 0.383 494 A N 4.909 127.770 122.820 0.069 0.000 2.374 494 A HA 0.802 5.122 4.320 -0.000 0.000 0.317 494 A C -1.321 176.303 177.584 0.066 0.000 1.094 494 A CA -0.704 51.380 52.037 0.079 0.000 0.765 494 A CB 1.151 20.199 19.000 0.079 0.000 1.268 494 A HN 0.739 nan 8.150 nan 0.000 0.438 495 L N 0.510 121.775 121.223 0.070 0.000 2.376 495 L HA 0.667 5.007 4.340 -0.000 0.000 0.258 495 L C -0.546 176.359 176.870 0.057 0.000 1.013 495 L CA -1.035 53.838 54.840 0.056 0.000 0.822 495 L CB 2.522 44.610 42.059 0.049 0.000 1.388 495 L HN 0.714 nan 8.230 nan 0.000 0.413 496 K N 1.254 121.681 120.400 0.046 0.000 2.316 496 K HA 0.832 5.152 4.320 -0.000 0.000 0.251 496 K C -1.311 175.307 176.600 0.031 0.000 0.934 496 K CA -0.297 56.017 56.287 0.044 0.000 0.802 496 K CB 2.172 34.698 32.500 0.043 0.000 1.171 496 K HN 0.634 nan 8.250 nan 0.000 0.426 497 A N 3.690 126.525 122.820 0.024 0.000 2.522 497 A HA 0.334 4.654 4.320 -0.000 0.000 0.285 497 A C -0.801 176.787 177.584 0.007 0.000 1.198 497 A CA -0.614 51.431 52.037 0.013 0.000 0.742 497 A CB 0.484 19.488 19.000 0.007 0.000 1.176 497 A HN 0.834 nan 8.150 nan 0.000 0.444 498 D N 1.032 121.437 120.400 0.007 0.000 2.350 498 D HA 0.057 4.697 4.640 -0.000 0.000 0.213 498 D C 0.063 176.360 176.300 -0.005 0.000 1.031 498 D CA 0.892 54.894 54.000 0.003 0.000 0.861 498 D CB 0.422 41.226 40.800 0.007 0.000 0.926 498 D HN 0.788 nan 8.370 nan 0.000 0.520 499 N N -1.146 117.553 118.700 -0.003 0.000 3.020 499 N HA 0.055 4.795 4.740 -0.000 0.000 0.248 499 N C 0.266 175.776 175.510 0.000 0.000 1.480 499 N CA -0.738 52.310 53.050 -0.003 0.000 0.874 499 N CB 1.093 39.581 38.487 0.002 0.000 1.433 499 N HN -0.247 nan 8.380 nan 0.000 0.530 500 L N 0.007 121.233 121.223 0.005 0.000 2.043 500 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 500 L C 1.669 178.545 176.870 0.010 0.000 1.075 500 L CA 2.053 56.898 54.840 0.009 0.000 0.752 500 L CB -0.877 41.192 42.059 0.017 0.000 0.891 500 L HN 0.662 nan 8.230 nan 0.000 0.432 501 E N -0.419 119.788 120.200 0.011 0.000 2.077 501 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 501 E C 2.207 178.813 176.600 0.011 0.000 0.989 501 E CA 1.315 57.722 56.400 0.012 0.000 0.800 501 E CB -0.248 29.459 29.700 0.012 0.000 0.746 501 E HN 0.686 nan 8.360 nan 0.000 0.452 502 Q N 0.042 119.848 119.800 0.010 0.000 2.119 502 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 502 Q C 2.266 178.273 176.000 0.011 0.000 0.972 502 Q CA 0.714 56.523 55.803 0.011 0.000 0.847 502 Q CB -0.142 28.603 28.738 0.011 0.000 0.903 502 Q HN 0.122 nan 8.270 nan 0.000 0.433 503 L N 1.405 122.632 121.223 0.007 0.000 1.989 503 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 503 L C 1.864 178.740 176.870 0.011 0.000 1.071 503 L CA 1.927 56.770 54.840 0.005 0.000 0.749 503 L CB -0.307 41.750 42.059 -0.004 0.000 0.890 503 L HN -0.003 nan 8.230 nan 0.000 0.431 504 K N -0.685 119.723 120.400 0.012 0.000 2.032 504 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 504 K C 2.005 178.614 176.600 0.016 0.000 1.048 504 K CA 1.353 57.649 56.287 0.015 0.000 0.927 504 K CB -0.823 31.687 32.500 0.015 0.000 0.712 504 K HN 0.581 nan 8.250 nan 0.000 0.441 505 G N 0.734 109.543 108.800 0.015 0.000 2.421 505 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 505 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 505 G C 1.551 176.462 174.900 0.017 0.000 1.171 505 G CA 0.974 46.083 45.100 0.015 0.000 0.775 505 G HN 0.195 nan 8.290 nan 0.000 0.543 506 S N 0.563 116.274 115.700 0.019 0.000 2.348 506 S HA -0.042 4.428 4.470 -0.000 0.000 0.221 506 S C 2.313 176.926 174.600 0.023 0.000 1.033 506 S CA 0.960 59.174 58.200 0.023 0.000 1.010 506 S CB -0.367 62.848 63.200 0.025 0.000 0.891 506 S HN 0.291 nan 8.310 nan 0.000 0.442 507 L N 1.295 122.531 121.223 0.021 0.000 2.012 507 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 507 L C 2.899 179.779 176.870 0.016 0.000 1.073 507 L CA 1.643 56.495 54.840 0.021 0.000 0.748 507 L CB -0.524 41.550 42.059 0.024 0.000 0.891 507 L HN 0.419 nan 8.230 nan 0.000 0.431 508 Q N -0.013 119.797 119.800 0.016 0.000 2.084 508 Q HA -0.286 4.054 4.340 -0.000 0.000 0.202 508 Q C 2.131 178.138 176.000 0.011 0.000 0.978 508 Q CA 1.996 57.806 55.803 0.013 0.000 0.844 508 Q CB -0.011 28.735 28.738 0.013 0.000 0.898 508 Q HN 0.472 nan 8.270 nan 0.000 0.426 509 E N -0.656 119.553 120.200 0.014 0.000 2.072 509 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 509 E C 1.842 178.451 176.600 0.016 0.000 0.985 509 E CA 0.865 57.274 56.400 0.015 0.000 0.801 509 E CB -0.133 29.578 29.700 0.019 0.000 0.750 509 E HN 0.472 nan 8.360 nan 0.000 0.452 510 A N 1.082 123.913 122.820 0.018 0.000 1.858 510 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 510 A C 2.079 179.665 177.584 0.004 0.000 1.190 510 A CA 1.120 53.168 52.037 0.018 0.000 0.617 510 A CB -0.704 18.309 19.000 0.022 0.000 0.827 510 A HN 0.285 nan 8.150 nan 0.000 0.443 511 L N 0.844 122.067 121.223 -0.001 0.000 2.021 511 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 511 L C 2.888 179.753 176.870 -0.008 0.000 1.074 511 L CA 2.639 57.473 54.840 -0.011 0.000 0.760 511 L CB -1.095 40.960 42.059 -0.007 0.000 0.889 511 L HN 0.627 nan 8.230 nan 0.000 0.433 512 S N -1.577 114.122 115.700 -0.001 0.000 2.527 512 S HA 0.253 4.723 4.470 -0.000 0.000 0.222 512 S C 1.095 175.696 174.600 0.002 0.000 0.985 512 S CA 0.082 58.282 58.200 -0.000 0.000 0.921 512 S CB -0.454 62.748 63.200 0.002 0.000 0.772 512 S HN 0.303 nan 8.310 nan 0.000 0.529 513 A N 2.042 124.865 122.820 0.005 0.000 2.483 513 A HA 0.382 4.702 4.320 -0.000 0.000 0.238 513 A C 1.146 178.734 177.584 0.006 0.000 1.070 513 A CA -0.388 51.655 52.037 0.009 0.000 0.770 513 A CB 0.327 19.337 19.000 0.018 0.000 1.008 513 A HN 0.239 nan 8.150 nan 0.000 0.497 514 K N 1.315 121.719 120.400 0.007 0.000 2.400 514 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 514 K C 0.930 177.535 176.600 0.009 0.000 1.033 514 K CA 0.957 57.248 56.287 0.005 0.000 1.021 514 K CB 0.166 32.668 32.500 0.004 0.000 0.808 514 K HN 0.760 nan 8.250 nan 0.000 0.505 515 G N 1.975 110.784 108.800 0.016 0.000 3.140 515 G HA2 0.408 4.368 3.960 -0.000 0.000 0.271 515 G HA3 0.408 4.368 3.960 -0.000 0.000 0.271 515 G C -2.906 172.021 174.900 0.044 0.000 1.370 515 G CA -1.313 43.802 45.100 0.025 0.000 1.014 515 G HN -0.205 nan 8.290 nan 0.000 0.541 516 P HA 0.351 nan 4.420 nan 0.000 0.271 516 P C -0.838 176.557 177.300 0.158 0.000 1.218 516 P CA -0.084 63.102 63.100 0.142 0.000 0.780 516 P CB 1.643 33.492 31.700 0.249 0.000 0.901 517 V N 3.486 123.515 119.914 0.192 0.000 2.808 517 V HA 0.373 4.493 4.120 -0.000 0.000 0.308 517 V C -0.087 176.171 176.094 0.273 0.000 1.099 517 V CA -0.758 61.648 62.300 0.176 0.000 0.920 517 V CB 2.187 34.067 31.823 0.094 0.000 1.014 517 V HN 0.477 nan 8.190 nan 0.000 0.425 518 L N 5.507 126.871 121.223 0.235 0.000 2.322 518 L HA 0.720 5.060 4.340 -0.000 0.000 0.281 518 L C -1.174 175.785 176.870 0.148 0.000 1.014 518 L CA -0.383 54.601 54.840 0.242 0.000 0.815 518 L CB 1.368 43.535 42.059 0.178 0.000 1.247 518 L HN 0.616 nan 8.230 nan 0.000 0.421 519 I N 4.566 125.211 120.570 0.125 0.000 2.382 519 I HA 0.313 4.483 4.170 -0.000 0.000 0.286 519 I C -0.357 175.790 176.117 0.051 0.000 1.002 519 I CA -0.447 60.900 61.300 0.077 0.000 1.135 519 I CB 1.845 39.878 38.000 0.056 0.000 1.288 519 I HN 0.616 nan 8.210 nan 0.000 0.448 520 E N 6.406 126.639 120.200 0.055 0.000 2.089 520 E HA 0.352 4.702 4.350 -0.000 0.000 0.284 520 E C -1.250 175.359 176.600 0.015 0.000 1.023 520 E CA -0.494 55.925 56.400 0.032 0.000 0.819 520 E CB 1.164 30.935 29.700 0.118 0.000 1.076 520 E HN 0.358 nan 8.360 nan 0.000 0.396 521 V N 3.881 123.781 119.914 -0.023 0.000 2.394 521 V HA 0.154 4.274 4.120 -0.000 0.000 0.282 521 V C -0.002 176.077 176.094 -0.025 0.000 1.031 521 V CA -0.732 61.553 62.300 -0.025 0.000 0.881 521 V CB 1.644 33.438 31.823 -0.048 0.000 0.982 521 V HN 0.617 nan 8.190 nan 0.000 0.451 522 S N 3.922 119.615 115.700 -0.013 0.000 2.405 522 S HA 0.377 4.847 4.470 -0.000 0.000 0.291 522 S C 0.520 175.099 174.600 -0.035 0.000 1.137 522 S CA -0.510 57.684 58.200 -0.010 0.000 1.061 522 S CB 0.309 63.508 63.200 -0.002 0.000 1.001 522 S HN 0.976 nan 8.310 nan 0.000 0.507 523 T N -0.511 114.022 114.554 -0.035 0.000 2.948 523 T HA 0.701 5.051 4.350 -0.000 0.000 0.285 523 T C 0.363 175.030 174.700 -0.054 0.000 1.019 523 T CA -0.978 61.089 62.100 -0.055 0.000 1.013 523 T CB 0.934 69.777 68.868 -0.041 0.000 1.117 523 T HN 0.390 nan 8.240 nan 0.000 0.533 524 V N -1.028 118.831 119.914 -0.092 0.000 2.904 524 V HA 0.787 4.907 4.120 -0.000 0.000 0.305 524 V C 0.992 177.087 176.094 0.003 0.000 1.067 524 V CA -0.371 61.881 62.300 -0.079 0.000 1.044 524 V CB -0.421 31.288 31.823 -0.190 0.000 1.050 524 V HN 1.449 nan 8.190 nan 0.000 0.475 525 S N 0.000 115.715 115.700 0.026 0.000 2.498 525 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 525 S CA 0.000 58.237 58.200 0.062 0.000 1.107 525 S CB 0.000 63.238 63.200 0.064 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517