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 2vf7_1_A DATA FIRST_RESID 11 DATA SEQUENCE PDGGFVQVRG ARQHNLKDIS VKVPRDALVV FTGVSGSGKS SLAFGTLYAE DATA SEQUENCE AQRRYLESVS PYARRLFNQA GVPDVDAIDG LPPAVALQQA RGTPTARSSV DATA SEQUENCE GSVTTLSNLL RMLYSRAGDY PPGQGIVYAE GFSPNTPEGA CPECHGLGRV DATA SEQUENCE YTVTEDSMVP DPSLTIRERA VAAWPQAWGG QNQRDILVTL GIDVDVPWRE DATA SEQUENCE LPEETRHWIL FTDEQPVVPV YPGLTPAETQ RALKKKMEPS YMGTFSSARR DATA SEQUENCE HVLHTFANTE SASMKKRVQG YMISEECPLC HGKRLRQEAL NVTFAGLDIT DATA SEQUENCE ELSRLPLARV SELLRPYAEE REPGHAERVK NRPEQAIALQ RMAADLVKRL DATA SEQUENCE DVLLHLGLGY LGLDRSTPTL SPGELQRLRL ATQLYSNLFG VVYVLDEPSA DATA SEQUENCE GLHPADTEAL LSALENLKRG GNSLFVVEHD LDVIRRADWL VDVGPEAGEK DATA SEQUENCE GGEILYSGPP EGLKHVPESQ TGQYLFADRH TEPHTPREPA GWLELNGVTR DATA SEQUENCE NNLDNLDVRF PLGVMTSVTG VSGSGKSTLV SQALVDALAA HFGQXXXXXX DATA SEQUENCE XXXXXXXXXX XGSARLGGDL AQITRLVRVD QKPIGRTPRS NMATYTGLFD DATA SEQUENCE QVRKLFAATP LAKKRGYNAG RFSFNVKGGR CEHCQGEGWV MVELLFLPSV DATA SEQUENCE YAPCPVCHGT RYNAETLEVE YRGKNIADVL ALTVDEAHDF FADESAIFRA DATA SEQUENCE LDTLREVGLG YLRLGQPATE LSGGEAQRIK LATELRRSGR GGTVYVLDEP DATA SEQUENCE TTGLHPADVE RLQRQLVKLV DAGNTVIAVE HKMQVVAASD WVLDIGPGAG DATA SEQUENCE EDGGRLVAQG TPAEVAQAAG SVTAPYLRAA LR 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 11 P HA 0.000 nan 4.420 nan 0.000 0.216 11 P C 0.000 177.318 177.300 0.031 0.000 1.155 11 P CA 0.000 63.111 63.100 0.018 0.000 0.800 11 P CB 0.000 31.706 31.700 0.010 0.000 0.726 12 D N 1.246 121.671 120.400 0.042 0.000 2.517 12 D HA 0.433 5.073 4.640 -0.000 0.000 0.220 12 D C 0.932 177.307 176.300 0.124 0.000 1.158 12 D CA 1.594 55.631 54.000 0.061 0.000 0.992 12 D CB 0.056 40.882 40.800 0.043 0.000 1.058 12 D HN 0.845 nan 8.370 nan 0.000 0.516 13 G N 2.102 110.981 108.800 0.131 0.000 2.894 13 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.247 13 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.247 13 G C 0.622 175.538 174.900 0.027 0.000 1.442 13 G CA -0.365 44.842 45.100 0.177 0.000 0.897 13 G HN 0.552 nan 8.290 nan 0.000 0.550 14 G N -0.649 108.029 108.800 -0.203 0.000 3.709 14 G HA2 0.527 4.487 3.960 -0.000 0.000 0.272 14 G HA3 0.527 4.487 3.960 -0.000 0.000 0.272 14 G C -0.098 174.539 174.900 -0.440 0.000 1.259 14 G CA -0.345 44.587 45.100 -0.280 0.000 1.512 14 G HN 0.489 nan 8.290 nan 0.000 0.625 15 F N 0.044 119.926 119.950 -0.114 0.000 2.450 15 F HA 0.420 4.947 4.527 -0.000 0.000 0.332 15 F C 0.424 176.175 175.800 -0.081 0.000 1.093 15 F CA -0.927 56.987 58.000 -0.144 0.000 1.003 15 F CB 2.172 41.071 39.000 -0.168 0.000 1.151 15 F HN -0.156 nan 8.300 nan 0.000 0.474 16 V N 2.628 122.620 119.914 0.129 0.000 2.530 16 V HA 0.253 4.373 4.120 -0.000 0.000 0.282 16 V C -0.325 175.828 176.094 0.099 0.000 1.048 16 V CA -0.447 61.919 62.300 0.112 0.000 0.997 16 V CB 1.148 33.068 31.823 0.162 0.000 0.987 16 V HN 0.651 nan 8.190 nan 0.000 0.477 17 Q N 4.027 123.867 119.800 0.067 0.000 2.331 17 Q HA 0.604 4.944 4.340 -0.000 0.000 0.267 17 Q C -1.353 174.666 176.000 0.032 0.000 1.006 17 Q CA -0.284 55.540 55.803 0.036 0.000 0.818 17 Q CB 1.973 30.723 28.738 0.019 0.000 1.276 17 Q HN 0.562 nan 8.270 nan 0.000 0.450 18 V N 4.942 124.872 119.914 0.026 0.000 2.495 18 V HA 0.662 4.782 4.120 -0.000 0.000 0.298 18 V C -0.564 175.540 176.094 0.017 0.000 1.031 18 V CA -0.750 61.566 62.300 0.027 0.000 0.871 18 V CB 1.845 33.689 31.823 0.035 0.000 0.988 18 V HN 0.755 nan 8.190 nan 0.000 0.432 19 R N 2.928 123.437 120.500 0.015 0.000 2.574 19 R HA 0.589 4.929 4.340 -0.000 0.000 0.288 19 R C 0.557 176.864 176.300 0.012 0.000 1.004 19 R CA 0.296 56.402 56.100 0.011 0.000 0.895 19 R CB 1.778 32.083 30.300 0.008 0.000 1.191 19 R HN 1.064 nan 8.270 nan 0.000 0.444 20 G N 2.125 110.932 108.800 0.012 0.000 2.198 20 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 20 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 20 G C -0.087 174.820 174.900 0.012 0.000 1.042 20 G CA 0.231 45.338 45.100 0.012 0.000 0.791 20 G HN 0.805 nan 8.290 nan 0.000 0.502 21 A N 0.582 123.410 122.820 0.012 0.000 2.395 21 A HA 0.657 4.977 4.320 -0.000 0.000 0.286 21 A C 1.200 178.787 177.584 0.004 0.000 1.193 21 A CA 0.393 52.434 52.037 0.007 0.000 0.852 21 A CB 0.088 19.093 19.000 0.009 0.000 1.118 21 A HN 1.155 nan 8.150 nan 0.000 0.524 22 R N 2.565 123.063 120.500 -0.003 0.000 2.727 22 R HA 0.223 4.563 4.340 -0.000 0.000 0.410 22 R C -0.377 175.909 176.300 -0.022 0.000 1.101 22 R CA -0.523 55.577 56.100 -0.000 0.000 1.045 22 R CB -0.076 30.232 30.300 0.013 0.000 1.380 22 R HN 0.576 nan 8.270 nan 0.000 0.587 23 Q N 1.920 121.674 119.800 -0.075 0.000 2.289 23 Q HA 0.066 4.406 4.340 -0.000 0.000 0.273 23 Q C -0.168 175.702 176.000 -0.217 0.000 1.029 23 Q CA 0.993 56.663 55.803 -0.221 0.000 0.896 23 Q CB 0.178 28.732 28.738 -0.306 0.000 1.182 23 Q HN 0.551 nan 8.270 nan 0.000 0.385 24 H N 1.466 120.570 119.070 0.056 0.000 1.452 24 H HA -0.372 4.184 4.556 0.000 0.000 0.090 24 H C 0.429 175.786 175.328 0.047 0.000 0.942 24 H CA 1.568 57.649 56.048 0.055 0.000 1.901 24 H CB -0.939 28.855 29.762 0.054 0.000 2.257 24 H HN 0.881 nan 8.280 nan 0.000 0.961 25 N N 2.513 121.329 118.700 0.194 0.000 2.270 25 N HA 0.053 4.793 4.740 -0.000 0.000 0.198 25 N C -0.412 175.137 175.510 0.066 0.000 1.117 25 N CA 0.070 53.183 53.050 0.105 0.000 0.845 25 N CB 0.289 38.826 38.487 0.084 0.000 0.980 25 N HN 0.155 nan 8.380 nan 0.000 0.486 26 L N 1.510 122.766 121.223 0.055 0.000 2.490 26 L HA 0.073 4.413 4.340 -0.000 0.000 0.274 26 L C 1.091 177.980 176.870 0.031 0.000 1.201 26 L CA 0.488 55.349 54.840 0.034 0.000 0.869 26 L CB 0.364 42.434 42.059 0.017 0.000 1.123 26 L HN 0.050 nan 8.230 nan 0.000 0.484 27 K N 2.580 122.997 120.400 0.028 0.000 3.129 27 K HA 0.082 4.402 4.320 -0.000 0.000 0.241 27 K C -0.182 176.431 176.600 0.021 0.000 1.239 27 K CA -0.236 56.066 56.287 0.025 0.000 1.239 27 K CB -0.583 31.931 32.500 0.024 0.000 1.347 27 K HN 0.523 nan 8.250 nan 0.000 0.435 28 D N 1.402 121.813 120.400 0.019 0.000 2.746 28 D HA -0.179 4.461 4.640 -0.000 0.000 0.241 28 D C -0.447 175.862 176.300 0.016 0.000 1.140 28 D CA 0.415 54.424 54.000 0.016 0.000 0.707 28 D CB -1.191 39.618 40.800 0.015 0.000 1.034 28 D HN 0.512 nan 8.370 nan 0.000 0.423 29 I N -2.373 118.208 120.570 0.018 0.000 2.677 29 I HA 0.673 4.843 4.170 -0.000 0.000 0.305 29 I C 0.097 176.225 176.117 0.018 0.000 0.988 29 I CA -0.309 61.003 61.300 0.020 0.000 1.260 29 I CB 2.044 40.060 38.000 0.027 0.000 1.410 29 I HN -0.037 nan 8.210 nan 0.000 0.523 30 S N 3.155 118.864 115.700 0.015 0.000 2.502 30 S HA 0.797 5.267 4.470 -0.000 0.000 0.304 30 S C -0.867 173.742 174.600 0.014 0.000 1.097 30 S CA -0.601 57.606 58.200 0.012 0.000 1.045 30 S CB 1.641 64.843 63.200 0.003 0.000 1.019 30 S HN 0.718 nan 8.310 nan 0.000 0.481 31 V N 3.655 123.581 119.914 0.020 0.000 3.087 31 V HA 0.729 4.849 4.120 -0.000 0.000 0.306 31 V C -1.728 174.379 176.094 0.022 0.000 1.187 31 V CA -0.926 61.391 62.300 0.028 0.000 0.999 31 V CB 2.259 34.115 31.823 0.055 0.000 1.049 31 V HN 0.925 nan 8.190 nan 0.000 0.431 32 K N 4.280 124.692 120.400 0.020 0.000 2.318 32 K HA 0.889 5.209 4.320 -0.000 0.000 0.249 32 K C -1.500 175.119 176.600 0.032 0.000 0.942 32 K CA -0.624 55.659 56.287 -0.007 0.000 0.808 32 K CB 2.310 34.708 32.500 -0.170 0.000 1.189 32 K HN 1.036 nan 8.250 nan 0.000 0.428 33 V N -1.596 118.327 119.914 0.015 0.000 2.808 33 V HA 0.571 4.691 4.120 -0.000 0.000 0.308 33 V C -2.903 173.057 176.094 -0.224 0.000 1.099 33 V CA -2.448 59.707 62.300 -0.241 0.000 0.920 33 V CB 1.494 33.167 31.823 -0.249 0.000 1.014 33 V HN 0.791 nan 8.190 nan 0.000 0.425 34 P HA 0.275 nan 4.420 nan 0.000 0.271 34 P C -0.592 176.517 177.300 -0.318 0.000 1.218 34 P CA -0.126 62.496 63.100 -0.797 0.000 0.780 34 P CB 0.752 31.907 31.700 -0.907 0.000 0.901 35 R N 1.543 121.867 120.500 -0.293 0.000 2.596 35 R HA 0.323 4.663 4.340 -0.000 0.000 0.267 35 R C -0.450 175.740 176.300 -0.184 0.000 1.026 35 R CA -0.445 55.562 56.100 -0.154 0.000 1.087 35 R CB 0.128 30.347 30.300 -0.135 0.000 1.132 35 R HN 0.367 nan 8.270 nan 0.000 0.531 36 D N -1.022 119.287 120.400 -0.152 0.000 2.907 36 D HA -0.184 4.456 4.640 -0.000 0.000 0.226 36 D C -0.923 175.321 176.300 -0.093 0.000 1.141 36 D CA 1.492 55.411 54.000 -0.135 0.000 0.779 36 D CB -1.271 39.445 40.800 -0.141 0.000 1.095 36 D HN 0.748 nan 8.370 nan 0.000 0.430 37 A N -0.235 122.550 122.820 -0.057 0.000 2.566 37 A HA 0.652 4.972 4.320 -0.000 0.000 0.292 37 A C -0.799 176.819 177.584 0.058 0.000 1.112 37 A CA -0.838 51.195 52.037 -0.007 0.000 0.707 37 A CB 1.648 20.633 19.000 -0.026 0.000 1.302 37 A HN 0.127 nan 8.150 nan 0.000 0.409 38 L N 1.909 123.179 121.223 0.078 0.000 2.363 38 L HA 0.518 4.858 4.340 -0.000 0.000 0.286 38 L C -0.856 176.104 176.870 0.149 0.000 1.106 38 L CA 0.245 55.152 54.840 0.112 0.000 0.859 38 L CB 0.135 42.245 42.059 0.085 0.000 1.223 38 L HN 0.353 nan 8.230 nan 0.000 0.446 39 V N 6.070 126.105 119.914 0.202 0.000 2.370 39 V HA 0.444 4.564 4.120 -0.000 0.000 0.283 39 V C -0.036 176.109 176.094 0.085 0.000 1.023 39 V CA -0.676 61.706 62.300 0.136 0.000 0.857 39 V CB 1.587 33.454 31.823 0.073 0.000 0.985 39 V HN 0.450 nan 8.190 nan 0.000 0.443 40 V N 5.491 125.390 119.914 -0.024 0.000 2.459 40 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 40 V C -0.540 175.468 176.094 -0.143 0.000 1.029 40 V CA -0.480 61.831 62.300 0.020 0.000 0.874 40 V CB 1.536 33.384 31.823 0.042 0.000 0.985 40 V HN 0.671 nan 8.190 nan 0.000 0.438 41 F N 3.345 123.305 119.950 0.018 0.000 2.404 41 F HA 0.627 5.154 4.527 -0.000 0.000 0.354 41 F C 0.746 176.533 175.800 -0.021 0.000 1.122 41 F CA -0.289 57.710 58.000 -0.001 0.000 1.080 41 F CB 1.860 40.853 39.000 -0.011 0.000 1.131 41 F HN 0.590 nan 8.300 nan 0.000 0.471 42 T N 0.275 114.896 114.554 0.112 0.000 2.887 42 T HA 0.964 5.314 4.350 -0.000 0.000 0.292 42 T C -0.268 174.480 174.700 0.080 0.000 1.087 42 T CA -0.493 61.650 62.100 0.070 0.000 1.009 42 T CB 1.889 70.797 68.868 0.068 0.000 1.203 42 T HN 1.261 nan 8.240 nan 0.000 0.518 43 G N -0.158 108.703 108.800 0.102 0.000 2.357 43 G HA2 0.413 4.373 3.960 -0.000 0.000 0.643 43 G HA3 0.413 4.373 3.960 -0.000 0.000 0.643 43 G C -0.398 174.456 174.900 -0.077 0.000 1.358 43 G CA -0.273 44.804 45.100 -0.038 0.000 0.986 43 G HN 1.949 nan 8.290 nan 0.000 0.620 44 V N -0.814 118.923 119.914 -0.297 0.000 3.432 44 V HA 0.635 4.755 4.120 -0.000 0.000 0.304 44 V C 1.248 177.331 176.094 -0.019 0.000 1.107 44 V CA 0.529 62.704 62.300 -0.208 0.000 1.153 44 V CB 1.030 32.717 31.823 -0.227 0.000 1.072 44 V HN 2.351 nan 8.190 nan 0.000 0.485 45 S N 1.350 117.052 115.700 0.003 0.000 2.565 45 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 45 S C 1.197 175.657 174.600 -0.234 0.000 1.326 45 S CA 0.122 58.316 58.200 -0.009 0.000 1.045 45 S CB 0.353 63.569 63.200 0.027 0.000 0.918 45 S HN 2.795 nan 8.310 nan 0.000 0.505 46 G N 1.798 110.409 108.800 -0.315 0.000 2.179 46 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 46 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 46 G C 1.095 175.747 174.900 -0.413 0.000 0.977 46 G CA 0.962 45.627 45.100 -0.725 0.000 0.641 46 G HN 1.768 nan 8.290 nan 0.000 0.533 47 S N -0.372 115.200 115.700 -0.214 0.000 2.423 47 S HA 0.365 4.835 4.470 -0.000 0.000 0.231 47 S C 2.128 176.700 174.600 -0.047 0.000 1.014 47 S CA 1.870 60.000 58.200 -0.116 0.000 0.965 47 S CB 0.003 63.158 63.200 -0.076 0.000 0.785 47 S HN 2.411 nan 8.310 nan 0.000 0.495 48 G N 0.633 109.423 108.800 -0.017 0.000 2.155 48 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.130 48 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.130 48 G C 0.626 175.562 174.900 0.060 0.000 1.027 48 G CA 0.126 45.248 45.100 0.038 0.000 0.705 48 G HN 0.434 nan 8.290 nan 0.000 0.496 49 K N 0.567 121.004 120.400 0.061 0.000 2.032 49 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 49 K C 2.494 179.125 176.600 0.051 0.000 1.048 49 K CA 1.724 58.061 56.287 0.082 0.000 0.927 49 K CB -0.192 32.362 32.500 0.089 0.000 0.712 49 K HN 0.284 nan 8.250 nan 0.000 0.441 50 S N 0.718 116.472 115.700 0.090 0.000 2.377 50 S HA -0.053 4.417 4.470 -0.000 0.000 0.223 50 S C 2.053 176.752 174.600 0.165 0.000 1.030 50 S CA 0.869 59.164 58.200 0.159 0.000 0.970 50 S CB -0.058 63.196 63.200 0.090 0.000 0.830 50 S HN 0.199 nan 8.310 nan 0.000 0.473 51 S N 1.537 117.331 115.700 0.156 0.000 2.407 51 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 51 S C 1.645 176.270 174.600 0.040 0.000 1.036 51 S CA 1.021 59.311 58.200 0.149 0.000 1.013 51 S CB -0.311 63.007 63.200 0.196 0.000 0.820 51 S HN 0.285 nan 8.310 nan 0.000 0.476 52 L N 1.272 122.500 121.223 0.009 0.000 2.062 52 L HA 0.301 4.641 4.340 -0.000 0.000 0.202 52 L C 2.394 179.147 176.870 -0.196 0.000 1.079 52 L CA 1.824 56.626 54.840 -0.064 0.000 0.755 52 L CB -1.384 40.658 42.059 -0.029 0.000 0.913 52 L HN 0.183 nan 8.230 nan 0.000 0.445 53 A N -1.262 121.306 122.820 -0.420 0.000 1.902 53 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 53 A C 2.032 179.412 177.584 -0.341 0.000 1.181 53 A CA 2.154 53.801 52.037 -0.651 0.000 0.623 53 A CB -0.820 17.590 19.000 -0.983 0.000 0.818 53 A HN 0.468 nan 8.150 nan 0.000 0.443 54 F N -0.961 118.946 119.950 -0.071 0.000 2.315 54 F HA 0.221 4.748 4.527 0.000 0.000 0.284 54 F C 2.651 178.530 175.800 0.133 0.000 1.049 54 F CA 0.726 58.767 58.000 0.069 0.000 1.323 54 F CB -0.777 38.232 39.000 0.015 0.000 1.113 54 F HN 0.245 nan 8.300 nan 0.000 0.544 55 G N -0.987 107.971 108.800 0.264 0.000 2.448 55 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.219 55 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.219 55 G C 1.430 176.371 174.900 0.068 0.000 1.127 55 G CA 1.764 46.958 45.100 0.157 0.000 0.766 55 G HN 0.321 nan 8.290 nan 0.000 0.552 56 T N -0.196 114.385 114.554 0.046 0.000 3.205 56 T HA 0.218 4.568 4.350 -0.000 0.000 0.238 56 T C 2.319 177.035 174.700 0.027 0.000 0.974 56 T CA -0.065 62.044 62.100 0.014 0.000 1.246 56 T CB -0.123 68.739 68.868 -0.009 0.000 1.007 56 T HN 0.045 nan 8.240 nan 0.000 0.414 57 L N 0.246 121.484 121.223 0.025 0.000 1.973 57 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 57 L C 2.446 179.365 176.870 0.080 0.000 1.073 57 L CA 1.676 56.557 54.840 0.068 0.000 0.746 57 L CB -0.575 41.548 42.059 0.106 0.000 0.891 57 L HN 0.290 nan 8.230 nan 0.000 0.433 58 Y N 0.797 121.065 120.300 -0.054 0.000 2.081 58 Y HA -0.347 4.203 4.550 -0.000 0.000 0.280 58 Y C 2.399 178.295 175.900 -0.008 0.000 1.163 58 Y CA 1.538 59.596 58.100 -0.070 0.000 1.135 58 Y CB -0.505 37.870 38.460 -0.143 0.000 0.970 58 Y HN 0.137 nan 8.280 nan 0.000 0.498 59 A N -0.100 122.656 122.820 -0.107 0.000 1.902 59 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 59 A C 2.147 179.648 177.584 -0.138 0.000 1.181 59 A CA 1.969 53.905 52.037 -0.168 0.000 0.623 59 A CB -0.886 18.133 19.000 0.033 0.000 0.818 59 A HN 0.581 nan 8.150 nan 0.000 0.443 60 E N 0.181 120.340 120.200 -0.068 0.000 2.072 60 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 60 E C 2.005 178.558 176.600 -0.079 0.000 0.985 60 E CA 1.501 57.872 56.400 -0.050 0.000 0.801 60 E CB -0.479 29.213 29.700 -0.013 0.000 0.750 60 E HN 0.449 nan 8.360 nan 0.000 0.452 61 A N 0.458 123.221 122.820 -0.095 0.000 1.940 61 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 61 A C 2.190 179.698 177.584 -0.128 0.000 1.176 61 A CA 1.789 53.766 52.037 -0.101 0.000 0.631 61 A CB -0.508 18.430 19.000 -0.103 0.000 0.814 61 A HN 0.344 nan 8.150 nan 0.000 0.446 62 Q N -1.311 118.345 119.800 -0.240 0.000 2.123 62 Q HA -0.096 4.244 4.340 -0.000 0.000 0.196 62 Q C 2.412 178.362 176.000 -0.084 0.000 0.958 62 Q CA 0.911 56.593 55.803 -0.203 0.000 0.841 62 Q CB -0.206 28.284 28.738 -0.413 0.000 0.915 62 Q HN 0.717 nan 8.270 nan 0.000 0.455 63 R N 1.100 121.537 120.500 -0.104 0.000 2.096 63 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 63 R C 2.092 178.324 176.300 -0.114 0.000 1.139 63 R CA 1.594 57.641 56.100 -0.089 0.000 0.952 63 R CB -0.021 30.229 30.300 -0.085 0.000 0.854 63 R HN 0.149 nan 8.270 nan 0.000 0.436 64 R N -1.020 119.429 120.500 -0.085 0.000 2.073 64 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 64 R C 2.327 178.606 176.300 -0.035 0.000 1.134 64 R CA 1.835 57.890 56.100 -0.075 0.000 0.952 64 R CB -0.652 29.624 30.300 -0.040 0.000 0.850 64 R HN 0.307 nan 8.270 nan 0.000 0.433 65 Y N 1.621 121.863 120.300 -0.097 0.000 2.097 65 Y HA -0.212 4.338 4.550 -0.000 0.000 0.282 65 Y C 2.009 177.873 175.900 -0.060 0.000 1.152 65 Y CA 1.647 59.703 58.100 -0.073 0.000 1.136 65 Y CB -0.320 38.097 38.460 -0.071 0.000 0.975 65 Y HN -0.055 nan 8.280 nan 0.000 0.498 66 L N -0.085 121.137 121.223 -0.002 0.000 2.201 66 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 66 L C 2.150 178.956 176.870 -0.107 0.000 1.105 66 L CA 1.438 56.248 54.840 -0.049 0.000 0.775 66 L CB -0.451 41.636 42.059 0.047 0.000 0.913 66 L HN 0.281 nan 8.230 nan 0.000 0.440 67 E N -0.769 119.355 120.200 -0.126 0.000 2.358 67 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 67 E C 2.146 178.664 176.600 -0.137 0.000 1.010 67 E CA 0.717 57.037 56.400 -0.133 0.000 0.856 67 E CB 0.168 29.748 29.700 -0.200 0.000 0.795 67 E HN 0.371 nan 8.360 nan 0.000 0.504 68 S N 0.334 115.921 115.700 -0.187 0.000 2.421 68 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 68 S C 2.273 176.737 174.600 -0.226 0.000 1.035 68 S CA 0.817 58.899 58.200 -0.196 0.000 0.953 68 S CB 0.248 63.316 63.200 -0.220 0.000 0.810 68 S HN 0.282 nan 8.310 nan 0.000 0.497 69 V N -1.438 118.287 119.914 -0.315 0.000 2.649 69 V HA 0.242 4.362 4.120 -0.000 0.000 0.248 69 V C 0.795 176.806 176.094 -0.138 0.000 1.054 69 V CA 0.937 63.081 62.300 -0.259 0.000 1.073 69 V CB -0.220 31.398 31.823 -0.340 0.000 0.699 69 V HN 0.250 nan 8.190 nan 0.000 0.463 70 S N 2.962 118.596 115.700 -0.111 0.000 2.150 70 S HA 0.468 4.938 4.470 -0.000 0.000 0.171 70 S C -2.655 171.925 174.600 -0.033 0.000 1.620 70 S CA -0.939 57.224 58.200 -0.062 0.000 1.190 70 S CB 0.795 63.965 63.200 -0.049 0.000 1.102 70 S HN 0.529 nan 8.310 nan 0.000 0.464 71 P HA 0.040 nan 4.420 nan 0.000 0.267 71 P C 0.323 177.698 177.300 0.124 0.000 1.205 71 P CA 0.283 63.397 63.100 0.023 0.000 0.765 71 P CB 0.294 31.995 31.700 0.001 0.000 0.828 72 Y N 2.685 122.971 120.300 -0.023 0.000 3.666 72 Y HA -0.393 4.157 4.550 0.000 0.000 0.412 72 Y C 1.564 177.470 175.900 0.010 0.000 1.125 72 Y CA 1.967 60.069 58.100 0.004 0.000 2.428 72 Y CB -2.370 36.090 38.460 0.000 0.000 0.885 72 Y HN 0.499 nan 8.280 nan 0.000 0.504 73 A N -0.341 122.488 122.820 0.015 0.000 2.327 73 A HA 0.361 4.681 4.320 -0.000 0.000 0.228 73 A C 1.892 179.454 177.584 -0.036 0.000 1.275 73 A CA 0.928 52.925 52.037 -0.066 0.000 0.875 73 A CB -0.155 18.811 19.000 -0.055 0.000 0.925 73 A HN 0.366 nan 8.150 nan 0.000 0.493 74 R N -1.168 119.340 120.500 0.013 0.000 2.467 74 R HA 0.106 4.446 4.340 -0.000 0.000 0.253 74 R C 0.463 176.842 176.300 0.131 0.000 0.910 74 R CA -0.035 56.095 56.100 0.050 0.000 1.167 74 R CB 0.116 30.431 30.300 0.025 0.000 1.748 74 R HN 0.465 nan 8.270 nan 0.000 0.465 75 R N 2.256 122.858 120.500 0.170 0.000 2.346 75 R HA 0.075 4.415 4.340 -0.000 0.000 0.208 75 R C 1.700 178.274 176.300 0.457 0.000 1.052 75 R CA 0.257 56.586 56.100 0.380 0.000 1.116 75 R CB -0.213 30.307 30.300 0.367 0.000 1.003 75 R HN 0.208 nan 8.270 nan 0.000 0.482 76 L N -1.742 119.621 121.223 0.233 0.000 2.456 76 L HA -0.043 4.297 4.340 -0.000 0.000 0.224 76 L C 1.965 178.899 176.870 0.106 0.000 1.148 76 L CA 0.744 55.650 54.840 0.110 0.000 0.825 76 L CB -1.017 41.068 42.059 0.043 0.000 0.937 76 L HN 0.055 nan 8.230 nan 0.000 0.450 77 F N 1.567 121.532 119.950 0.026 0.000 2.106 77 F HA -0.321 4.206 4.527 -0.000 0.000 0.299 77 F C 2.083 177.905 175.800 0.037 0.000 1.082 77 F CA 1.893 59.912 58.000 0.032 0.000 1.244 77 F CB -1.641 37.377 39.000 0.030 0.000 0.997 77 F HN 0.146 nan 8.300 nan 0.000 0.486 78 N N 0.341 118.354 118.700 -1.145 0.000 2.550 78 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 78 N C 1.641 176.961 175.510 -0.317 0.000 1.110 78 N CA 0.639 53.191 53.050 -0.831 0.000 0.912 78 N CB -0.161 37.751 38.487 -0.959 0.000 0.968 78 N HN 0.661 nan 8.380 nan 0.000 0.448 79 Q N 0.020 119.700 119.800 -0.201 0.000 2.016 79 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 79 Q C 2.030 178.015 176.000 -0.026 0.000 0.978 79 Q CA 1.534 57.289 55.803 -0.080 0.000 0.833 79 Q CB -0.123 28.589 28.738 -0.043 0.000 0.895 79 Q HN 0.351 nan 8.270 nan 0.000 0.427 80 A N 0.476 123.296 122.820 -0.000 0.000 1.873 80 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 80 A C 1.049 178.677 177.584 0.073 0.000 1.186 80 A CA 1.551 53.622 52.037 0.056 0.000 0.616 80 A CB -0.415 18.632 19.000 0.079 0.000 0.823 80 A HN 0.471 nan 8.150 nan 0.000 0.442 81 G N -3.025 105.797 108.800 0.038 0.000 2.316 81 G HA2 0.418 4.378 3.960 -0.000 0.000 0.468 81 G HA3 0.418 4.378 3.960 -0.000 0.000 0.468 81 G C -1.037 173.928 174.900 0.108 0.000 1.523 81 G CA -0.451 44.682 45.100 0.056 0.000 0.972 81 G HN 0.975 nan 8.290 nan 0.000 0.667 82 V N 0.583 120.562 119.914 0.109 0.000 2.769 82 V HA 0.759 4.879 4.120 -0.000 0.000 0.312 82 V C -1.834 174.323 176.094 0.104 0.000 1.058 82 V CA -1.816 60.587 62.300 0.172 0.000 0.952 82 V CB 1.637 33.598 31.823 0.230 0.000 1.019 82 V HN 0.748 nan 8.190 nan 0.000 0.445 83 P HA 0.165 nan 4.420 nan 0.000 0.269 83 P C -0.782 176.537 177.300 0.032 0.000 1.209 83 P CA -0.146 62.977 63.100 0.038 0.000 0.776 83 P CB 0.339 32.055 31.700 0.026 0.000 0.876 84 D N 2.031 122.433 120.400 0.004 0.000 2.393 84 D HA 0.287 4.927 4.640 -0.000 0.000 0.232 84 D C -1.215 175.088 176.300 0.005 0.000 1.192 84 D CA 0.209 54.214 54.000 0.009 0.000 0.882 84 D CB 0.038 40.839 40.800 0.001 0.000 1.038 84 D HN -0.005 nan 8.370 nan 0.000 0.499 85 V N 4.202 124.126 119.914 0.017 0.000 2.882 85 V HA 0.107 4.227 4.120 -0.000 0.000 0.295 85 V C 0.179 176.285 176.094 0.019 0.000 1.273 85 V CA -0.662 61.647 62.300 0.015 0.000 0.949 85 V CB 2.260 34.091 31.823 0.013 0.000 1.071 85 V HN 0.307 nan 8.190 nan 0.000 0.432 86 D N 3.796 124.205 120.400 0.016 0.000 2.084 86 D HA 0.230 4.870 4.640 -0.000 0.000 0.196 86 D C 0.544 176.853 176.300 0.015 0.000 0.985 86 D CA 1.960 55.970 54.000 0.016 0.000 0.826 86 D CB 0.346 41.154 40.800 0.013 0.000 0.978 86 D HN 0.942 nan 8.370 nan 0.000 0.456 87 A N -0.356 122.473 122.820 0.014 0.000 2.566 87 A HA 0.630 4.950 4.320 -0.000 0.000 0.297 87 A C -1.417 176.176 177.584 0.015 0.000 1.059 87 A CA -0.580 51.464 52.037 0.013 0.000 0.691 87 A CB 1.208 20.214 19.000 0.010 0.000 1.282 87 A HN 0.044 nan 8.150 nan 0.000 0.401 88 I N 2.148 122.728 120.570 0.016 0.000 2.478 88 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 88 I C -1.364 174.766 176.117 0.021 0.000 1.042 88 I CA -0.586 60.728 61.300 0.023 0.000 1.067 88 I CB 2.271 40.288 38.000 0.029 0.000 1.233 88 I HN 0.514 nan 8.210 nan 0.000 0.431 89 D N 4.526 124.941 120.400 0.026 0.000 2.350 89 D HA 0.490 5.130 4.640 -0.000 0.000 0.245 89 D C 0.690 177.009 176.300 0.032 0.000 1.036 89 D CA 0.031 54.045 54.000 0.023 0.000 0.848 89 D CB 2.279 43.091 40.800 0.020 0.000 1.307 89 D HN 0.863 nan 8.370 nan 0.000 0.469 90 G N 1.355 110.169 108.800 0.023 0.000 2.149 90 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.235 90 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.235 90 G C -0.169 174.741 174.900 0.017 0.000 1.018 90 G CA -0.359 44.753 45.100 0.020 0.000 0.728 90 G HN 0.438 nan 8.290 nan 0.000 0.508 91 L N 1.487 122.718 121.223 0.014 0.000 2.276 91 L HA 0.427 4.767 4.340 -0.000 0.000 0.286 91 L C -1.269 175.581 176.870 -0.033 0.000 1.024 91 L CA -1.681 53.164 54.840 0.009 0.000 0.826 91 L CB 1.289 43.365 42.059 0.028 0.000 1.211 91 L HN 0.035 nan 8.230 nan 0.000 0.422 92 P HA 0.387 nan 4.420 nan 0.000 0.277 92 P C -2.621 174.595 177.300 -0.140 0.000 1.276 92 P CA -1.329 61.706 63.100 -0.109 0.000 0.788 92 P CB -0.441 31.164 31.700 -0.159 0.000 1.114 93 P HA 0.313 nan 4.420 nan 0.000 0.271 93 P C -1.007 176.123 177.300 -0.283 0.000 1.233 93 P CA 0.070 63.015 63.100 -0.258 0.000 0.789 93 P CB 0.235 31.665 31.700 -0.451 0.000 0.951 94 A N 1.058 123.729 122.820 -0.248 0.000 2.414 94 A HA 0.636 4.956 4.320 -0.000 0.000 0.306 94 A C -1.262 176.280 177.584 -0.071 0.000 1.054 94 A CA -0.572 51.358 52.037 -0.179 0.000 0.724 94 A CB 1.240 20.215 19.000 -0.041 0.000 1.267 94 A HN 0.278 nan 8.150 nan 0.000 0.418 95 V N 1.389 121.229 119.914 -0.123 0.000 2.448 95 V HA 0.666 4.786 4.120 -0.000 0.000 0.295 95 V C 0.494 176.590 176.094 0.004 0.000 1.025 95 V CA -0.433 61.859 62.300 -0.013 0.000 0.859 95 V CB 1.347 33.100 31.823 -0.116 0.000 0.988 95 V HN 1.245 nan 8.190 nan 0.000 0.431 96 A N 4.866 127.645 122.820 -0.068 0.000 2.289 96 A HA 0.659 4.979 4.320 -0.000 0.000 0.298 96 A C 0.600 178.166 177.584 -0.031 0.000 1.208 96 A CA -0.394 51.496 52.037 -0.244 0.000 0.845 96 A CB 0.328 18.936 19.000 -0.654 0.000 1.125 96 A HN 0.929 nan 8.150 nan 0.000 0.517 97 L N 1.023 122.264 121.223 0.030 0.000 2.599 97 L HA 0.092 4.432 4.340 -0.000 0.000 0.230 97 L C 0.972 177.846 176.870 0.006 0.000 1.141 97 L CA 0.486 55.340 54.840 0.024 0.000 0.877 97 L CB -0.361 41.701 42.059 0.004 0.000 1.009 97 L HN 0.854 nan 8.230 nan 0.000 0.447 98 Q N -0.026 119.782 119.800 0.014 0.000 2.394 98 Q HA 0.300 4.640 4.340 -0.000 0.000 0.273 98 Q C -0.651 175.315 176.000 -0.058 0.000 1.089 98 Q CA -0.548 55.237 55.803 -0.030 0.000 0.812 98 Q CB 1.945 30.647 28.738 -0.059 0.000 1.353 98 Q HN 0.043 nan 8.270 nan 0.000 0.438 99 Q N 0.894 120.655 119.800 -0.065 0.000 2.368 99 Q HA 0.527 4.867 4.340 -0.000 0.000 0.237 99 Q C -0.824 175.124 176.000 -0.087 0.000 0.987 99 Q CA -0.102 55.667 55.803 -0.057 0.000 0.896 99 Q CB 1.001 29.711 28.738 -0.046 0.000 1.241 99 Q HN 0.782 nan 8.270 nan 0.000 0.485 100 A N 2.612 125.403 122.820 -0.049 0.000 2.524 100 A HA -0.028 4.292 4.320 -0.000 0.000 0.250 100 A C 0.915 178.455 177.584 -0.074 0.000 1.078 100 A CA 0.056 52.062 52.037 -0.051 0.000 0.761 100 A CB 0.208 19.221 19.000 0.022 0.000 1.012 100 A HN 1.020 nan 8.150 nan 0.000 0.500 101 R N 2.226 122.655 120.500 -0.118 0.000 2.409 101 R HA -0.291 4.049 4.340 -0.000 0.000 0.215 101 R C 1.382 177.634 176.300 -0.080 0.000 0.981 101 R CA 2.877 58.911 56.100 -0.111 0.000 0.691 101 R CB -0.824 29.412 30.300 -0.107 0.000 0.897 101 R HN 1.034 nan 8.270 nan 0.000 0.353 102 G N -1.316 107.457 108.800 -0.047 0.000 4.433 102 G HA2 0.311 4.271 3.960 -0.000 0.000 0.304 102 G HA3 0.311 4.271 3.960 -0.000 0.000 0.304 102 G C -0.846 174.068 174.900 0.023 0.000 1.254 102 G CA 0.236 45.320 45.100 -0.026 0.000 0.999 102 G HN 0.440 nan 8.290 nan 0.000 0.576 103 T N -0.822 113.731 114.554 -0.001 0.000 2.885 103 T HA 0.724 5.074 4.350 -0.000 0.000 0.285 103 T C -2.749 171.944 174.700 -0.012 0.000 1.019 103 T CA -1.916 60.185 62.100 0.002 0.000 1.010 103 T CB 2.659 71.520 68.868 -0.012 0.000 1.022 103 T HN -0.016 nan 8.240 nan 0.000 0.466 104 P HA 0.249 nan 4.420 nan 0.000 0.276 104 P C -0.318 176.967 177.300 -0.025 0.000 1.230 104 P CA -0.275 62.815 63.100 -0.016 0.000 0.776 104 P CB 0.317 32.009 31.700 -0.013 0.000 0.888 105 T N 1.998 116.537 114.554 -0.025 0.000 2.901 105 T HA 0.359 4.709 4.350 -0.000 0.000 0.301 105 T C 0.654 175.338 174.700 -0.027 0.000 1.012 105 T CA -0.005 62.079 62.100 -0.027 0.000 1.135 105 T CB 0.416 69.269 68.868 -0.024 0.000 0.936 105 T HN 0.548 nan 8.240 nan 0.000 0.539 106 A N 4.016 126.817 122.820 -0.031 0.000 2.332 106 A HA 0.466 4.786 4.320 -0.000 0.000 0.258 106 A C 0.585 178.154 177.584 -0.025 0.000 1.087 106 A CA -0.563 51.455 52.037 -0.031 0.000 0.802 106 A CB 0.354 19.332 19.000 -0.036 0.000 1.042 106 A HN 0.655 nan 8.150 nan 0.000 0.489 107 R N 1.084 121.570 120.500 -0.024 0.000 2.267 107 R HA 0.510 4.850 4.340 -0.000 0.000 0.319 107 R C -0.393 175.897 176.300 -0.016 0.000 1.067 107 R CA 0.268 56.356 56.100 -0.019 0.000 0.936 107 R CB 0.809 31.097 30.300 -0.020 0.000 1.006 107 R HN 0.748 nan 8.270 nan 0.000 0.452 108 S N 0.143 115.836 115.700 -0.012 0.000 2.776 108 S HA 0.581 5.051 4.470 -0.000 0.000 0.292 108 S C -0.919 173.676 174.600 -0.007 0.000 1.187 108 S CA -0.541 57.653 58.200 -0.010 0.000 0.834 108 S CB 1.647 64.840 63.200 -0.011 0.000 1.199 108 S HN 0.550 nan 8.310 nan 0.000 0.514 109 S N 0.164 115.860 115.700 -0.007 0.000 2.689 109 S HA 0.476 4.946 4.470 -0.000 0.000 0.306 109 S C 1.018 175.611 174.600 -0.012 0.000 1.104 109 S CA -0.742 57.454 58.200 -0.008 0.000 0.973 109 S CB 1.318 64.515 63.200 -0.006 0.000 1.121 109 S HN 0.407 nan 8.310 nan 0.000 0.523 110 V N 1.411 121.315 119.914 -0.017 0.000 2.343 110 V HA -0.089 4.031 4.120 -0.000 0.000 0.247 110 V C 2.466 178.552 176.094 -0.014 0.000 1.051 110 V CA 2.440 64.726 62.300 -0.023 0.000 1.036 110 V CB -1.275 30.524 31.823 -0.040 0.000 0.654 110 V HN 1.076 nan 8.190 nan 0.000 0.451 111 G N -0.856 107.936 108.800 -0.013 0.000 2.559 111 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 111 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 111 G C 1.663 176.563 174.900 0.001 0.000 1.126 111 G CA 1.094 46.189 45.100 -0.008 0.000 0.778 111 G HN 0.554 nan 8.290 nan 0.000 0.543 112 S N -0.235 115.465 115.700 0.001 0.000 2.427 112 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 112 S C 2.305 176.911 174.600 0.010 0.000 1.047 112 S CA 0.524 58.728 58.200 0.006 0.000 0.953 112 S CB 0.154 63.355 63.200 0.002 0.000 0.824 112 S HN 0.161 nan 8.310 nan 0.000 0.502 113 V N 2.814 122.730 119.914 0.002 0.000 2.809 113 V HA -0.070 4.050 4.120 -0.000 0.000 0.256 113 V C 2.443 178.541 176.094 0.006 0.000 1.080 113 V CA 1.810 64.108 62.300 -0.003 0.000 1.102 113 V CB -1.213 30.600 31.823 -0.016 0.000 0.705 113 V HN 0.735 nan 8.190 nan 0.000 0.475 114 T N -4.943 109.630 114.554 0.031 0.000 3.060 114 T HA 0.031 4.381 4.350 -0.000 0.000 0.249 114 T C 1.074 175.867 174.700 0.154 0.000 1.079 114 T CA 0.938 63.094 62.100 0.092 0.000 1.013 114 T CB 0.286 69.212 68.868 0.096 0.000 0.975 114 T HN 0.408 nan 8.240 nan 0.000 0.518 115 T N 0.881 115.487 114.554 0.086 0.000 7.013 115 T HA -0.207 4.143 4.350 -0.000 0.000 0.288 115 T C 1.052 175.777 174.700 0.041 0.000 2.146 115 T CA 1.104 63.252 62.100 0.079 0.000 3.498 115 T CB -2.197 66.751 68.868 0.133 0.000 1.517 115 T HN 0.461 nan 8.240 nan 0.000 1.113 116 L N 0.804 122.043 121.223 0.027 0.000 2.079 116 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 116 L C 2.622 179.473 176.870 -0.032 0.000 1.081 116 L CA 1.913 56.741 54.840 -0.020 0.000 0.752 116 L CB -0.622 41.419 42.059 -0.029 0.000 0.896 116 L HN 0.318 nan 8.230 nan 0.000 0.433 117 S N 0.043 115.731 115.700 -0.021 0.000 2.382 117 S HA -0.197 4.273 4.470 -0.000 0.000 0.228 117 S C 1.753 176.335 174.600 -0.030 0.000 1.027 117 S CA 1.666 59.848 58.200 -0.031 0.000 0.991 117 S CB -0.422 62.766 63.200 -0.019 0.000 0.823 117 S HN 0.467 nan 8.310 nan 0.000 0.469 118 N N 1.762 120.455 118.700 -0.012 0.000 2.120 118 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 118 N C 1.498 176.994 175.510 -0.024 0.000 1.024 118 N CA 1.275 54.323 53.050 -0.004 0.000 0.852 118 N CB -0.500 37.994 38.487 0.012 0.000 1.003 118 N HN 0.373 nan 8.380 nan 0.000 0.424 119 L N -0.014 121.187 121.223 -0.037 0.000 2.141 119 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 119 L C 1.894 178.712 176.870 -0.086 0.000 1.094 119 L CA 0.709 55.515 54.840 -0.057 0.000 0.763 119 L CB -0.612 41.405 42.059 -0.070 0.000 0.908 119 L HN 0.299 nan 8.230 nan 0.000 0.437 120 L N -2.951 118.218 121.223 -0.090 0.000 2.558 120 L HA 0.089 4.429 4.340 -0.000 0.000 0.225 120 L C 2.229 179.037 176.870 -0.103 0.000 1.128 120 L CA 0.947 55.728 54.840 -0.097 0.000 0.868 120 L CB -0.565 41.444 42.059 -0.084 0.000 1.006 120 L HN -0.046 nan 8.230 nan 0.000 0.454 121 R N -0.204 120.220 120.500 -0.127 0.000 2.093 121 R HA 0.140 4.480 4.340 -0.000 0.000 0.224 121 R C 2.015 178.190 176.300 -0.210 0.000 1.101 121 R CA 1.641 57.623 56.100 -0.197 0.000 0.979 121 R CB -0.365 29.921 30.300 -0.024 0.000 0.877 121 R HN 0.425 nan 8.270 nan 0.000 0.441 122 M N 0.391 119.931 119.600 -0.101 0.000 2.319 122 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 122 M C 2.181 178.413 176.300 -0.113 0.000 1.068 122 M CA 1.106 56.364 55.300 -0.070 0.000 1.118 122 M CB -0.045 32.536 32.600 -0.032 0.000 1.395 122 M HN 0.167 nan 8.290 nan 0.000 0.435 123 L N -1.028 120.102 121.223 -0.156 0.000 2.131 123 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 123 L C 2.014 178.711 176.870 -0.289 0.000 1.087 123 L CA 1.383 56.087 54.840 -0.227 0.000 0.767 123 L CB -0.161 41.705 42.059 -0.323 0.000 0.917 123 L HN 0.124 nan 8.230 nan 0.000 0.441 124 Y N -1.283 118.735 120.300 -0.470 0.000 2.395 124 Y HA -0.111 4.439 4.550 -0.000 0.000 0.293 124 Y C 2.959 178.593 175.900 -0.443 0.000 1.123 124 Y CA 1.424 59.183 58.100 -0.568 0.000 1.227 124 Y CB -0.185 37.649 38.460 -1.044 0.000 1.012 124 Y HN 0.217 nan 8.280 nan 0.000 0.552 125 S N -0.338 115.203 115.700 -0.264 0.000 2.428 125 S HA -0.067 4.403 4.470 -0.000 0.000 0.230 125 S C 1.883 176.530 174.600 0.078 0.000 1.014 125 S CA 1.150 59.370 58.200 0.033 0.000 0.957 125 S CB 0.040 63.266 63.200 0.042 0.000 0.784 125 S HN 0.432 nan 8.310 nan 0.000 0.499 126 R N -0.828 119.678 120.500 0.009 0.000 2.342 126 R HA 0.408 4.748 4.340 -0.000 0.000 0.204 126 R C 1.293 177.604 176.300 0.019 0.000 0.882 126 R CA 0.719 56.820 56.100 0.002 0.000 1.041 126 R CB 0.286 30.573 30.300 -0.022 0.000 1.188 126 R HN 0.261 nan 8.270 nan 0.000 0.598 127 A N 0.617 123.441 122.820 0.006 0.000 2.635 127 A HA 0.393 4.713 4.320 -0.000 0.000 0.279 127 A C 0.497 178.120 177.584 0.065 0.000 1.122 127 A CA -0.144 51.910 52.037 0.030 0.000 0.965 127 A CB 0.724 19.730 19.000 0.010 0.000 1.221 127 A HN 0.219 nan 8.150 nan 0.000 0.566 128 G N -0.487 108.346 108.800 0.055 0.000 2.477 128 G HA2 0.455 4.415 3.960 -0.000 0.000 0.304 128 G HA3 0.455 4.415 3.960 -0.000 0.000 0.304 128 G C -0.912 174.092 174.900 0.173 0.000 1.175 128 G CA -0.368 44.746 45.100 0.024 0.000 0.907 128 G HN 0.184 nan 8.290 nan 0.000 0.509 129 D N 0.879 121.336 120.400 0.094 0.000 2.453 129 D HA 0.155 4.795 4.640 -0.000 0.000 0.223 129 D C -0.357 176.030 176.300 0.145 0.000 1.183 129 D CA 0.278 54.355 54.000 0.128 0.000 0.933 129 D CB 0.558 41.386 40.800 0.046 0.000 1.038 129 D HN 0.160 nan 8.370 nan 0.000 0.513 130 Y N 1.597 121.934 120.300 0.061 0.000 2.457 130 Y HA 0.092 4.642 4.550 -0.000 0.000 0.341 130 Y C -1.219 174.710 175.900 0.048 0.000 1.240 130 Y CA -1.446 56.695 58.100 0.069 0.000 1.437 130 Y CB -0.479 38.016 38.460 0.058 0.000 1.328 130 Y HN 0.264 nan 8.280 nan 0.000 0.588 131 P HA -0.105 nan 4.420 nan 0.000 0.272 131 P C -1.614 175.755 177.300 0.114 0.000 1.239 131 P CA -0.538 62.633 63.100 0.119 0.000 0.807 131 P CB -0.131 31.629 31.700 0.100 0.000 0.951 132 P HA -0.152 nan 4.420 nan 0.000 0.220 132 P C 0.501 177.831 177.300 0.050 0.000 1.155 132 P CA 2.074 65.206 63.100 0.052 0.000 0.880 132 P CB -0.165 31.558 31.700 0.038 0.000 0.790 133 G N -0.593 108.242 108.800 0.059 0.000 2.182 133 G HA2 0.198 4.158 3.960 -0.000 0.000 0.293 133 G HA3 0.198 4.158 3.960 -0.000 0.000 0.293 133 G C -0.191 174.748 174.900 0.066 0.000 1.409 133 G CA -0.270 44.858 45.100 0.046 0.000 1.153 133 G HN 0.061 nan 8.290 nan 0.000 0.586 134 Q N 1.061 120.926 119.800 0.109 0.000 2.353 134 Q HA 0.391 4.731 4.340 -0.000 0.000 0.240 134 Q C 1.316 177.392 176.000 0.126 0.000 0.868 134 Q CA 1.193 57.088 55.803 0.154 0.000 0.944 134 Q CB 0.731 29.629 28.738 0.268 0.000 1.104 134 Q HN 1.251 nan 8.270 nan 0.000 0.531 135 G N 0.955 109.773 108.800 0.030 0.000 2.713 135 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.215 135 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.215 135 G C -0.730 174.058 174.900 -0.188 0.000 1.265 135 G CA -0.236 44.843 45.100 -0.035 0.000 1.204 135 G HN 0.225 nan 8.290 nan 0.000 0.545 136 I N 0.110 120.661 120.570 -0.031 0.000 2.715 136 I HA 0.448 4.618 4.170 -0.000 0.000 0.288 136 I C -0.772 175.430 176.117 0.142 0.000 1.371 136 I CA -0.770 60.513 61.300 -0.029 0.000 1.056 136 I CB 2.379 40.240 38.000 -0.231 0.000 1.339 136 I HN 0.436 nan 8.210 nan 0.000 0.425 137 V N 6.620 126.744 119.914 0.349 0.000 2.398 137 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 137 V C -0.491 175.778 176.094 0.292 0.000 1.026 137 V CA -0.561 61.883 62.300 0.241 0.000 0.868 137 V CB 1.308 33.170 31.823 0.065 0.000 0.982 137 V HN 0.412 nan 8.190 nan 0.000 0.443 138 Y N 2.155 122.598 120.300 0.239 0.000 2.314 138 Y HA 0.312 4.862 4.550 -0.000 0.000 0.334 138 Y C 1.623 177.724 175.900 0.335 0.000 1.266 138 Y CA 0.602 58.844 58.100 0.237 0.000 1.391 138 Y CB 0.946 39.486 38.460 0.133 0.000 1.306 138 Y HN 0.699 nan 8.280 nan 0.000 0.558 139 A N 1.174 124.247 122.820 0.421 0.000 2.076 139 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 139 A C 1.790 179.546 177.584 0.286 0.000 1.160 139 A CA 1.628 53.854 52.037 0.316 0.000 0.653 139 A CB -0.432 18.672 19.000 0.173 0.000 0.801 139 A HN 0.853 nan 8.150 nan 0.000 0.455 140 E N -0.590 119.762 120.200 0.254 0.000 2.274 140 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 140 E C 1.609 178.291 176.600 0.136 0.000 0.996 140 E CA 0.969 57.463 56.400 0.157 0.000 0.840 140 E CB -0.280 29.482 29.700 0.103 0.000 0.772 140 E HN 0.575 nan 8.360 nan 0.000 0.491 141 G N -0.293 108.605 108.800 0.162 0.000 3.434 141 G HA2 0.115 4.075 3.960 -0.000 0.000 0.258 141 G HA3 0.115 4.075 3.960 -0.000 0.000 0.258 141 G C 0.368 175.158 174.900 -0.183 0.000 1.128 141 G CA -0.371 44.730 45.100 0.002 0.000 0.792 141 G HN 0.043 nan 8.290 nan 0.000 0.539 142 F N 0.706 120.663 119.950 0.012 0.000 2.668 142 F HA 0.419 4.946 4.527 -0.000 0.000 0.301 142 F C 1.021 176.790 175.800 -0.051 0.000 1.106 142 F CA -0.379 57.595 58.000 -0.043 0.000 1.289 142 F CB 1.074 40.032 39.000 -0.070 0.000 1.006 142 F HN 0.079 nan 8.300 nan 0.000 0.535 143 S N 0.372 116.126 115.700 0.089 0.000 2.502 143 S HA 0.386 4.856 4.470 -0.000 0.000 0.304 143 S C -2.051 172.562 174.600 0.022 0.000 1.097 143 S CA -1.614 56.617 58.200 0.053 0.000 1.045 143 S CB 1.411 64.646 63.200 0.058 0.000 1.019 143 S HN -0.154 nan 8.310 nan 0.000 0.481 144 P HA 0.073 nan 4.420 nan 0.000 0.234 144 P C 0.440 177.755 177.300 0.026 0.000 1.167 144 P CA 0.558 63.668 63.100 0.016 0.000 0.763 144 P CB 0.059 31.768 31.700 0.016 0.000 0.835 145 N N -1.087 117.628 118.700 0.024 0.000 2.353 145 N HA 0.013 4.753 4.740 -0.000 0.000 0.185 145 N C 0.608 176.130 175.510 0.021 0.000 1.098 145 N CA 0.632 53.695 53.050 0.022 0.000 0.872 145 N CB -0.103 38.394 38.487 0.017 0.000 0.970 145 N HN 0.248 nan 8.380 nan 0.000 0.467 146 T N -1.456 113.112 114.554 0.023 0.000 2.895 146 T HA 0.398 4.748 4.350 -0.000 0.000 0.283 146 T C -2.222 172.491 174.700 0.021 0.000 1.014 146 T CA -1.842 60.270 62.100 0.021 0.000 1.037 146 T CB 2.533 71.417 68.868 0.027 0.000 1.006 146 T HN -0.255 nan 8.240 nan 0.000 0.468 147 P HA 0.039 nan 4.420 nan 0.000 0.229 147 P C 1.047 178.358 177.300 0.018 0.000 1.160 147 P CA 0.487 63.601 63.100 0.023 0.000 0.777 147 P CB 0.151 31.860 31.700 0.015 0.000 0.814 148 E N -0.108 120.100 120.200 0.013 0.000 2.435 148 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 148 E C 1.717 178.312 176.600 -0.009 0.000 1.029 148 E CA 1.189 57.595 56.400 0.010 0.000 0.865 148 E CB -0.821 28.892 29.700 0.021 0.000 0.833 148 E HN 0.156 nan 8.360 nan 0.000 0.510 149 G N -0.303 108.490 108.800 -0.011 0.000 2.739 149 G HA2 0.322 4.282 3.960 -0.000 0.000 0.200 149 G HA3 0.322 4.282 3.960 -0.000 0.000 0.200 149 G C 0.382 175.259 174.900 -0.038 0.000 1.069 149 G CA 0.123 45.198 45.100 -0.042 0.000 0.768 149 G HN 0.335 nan 8.290 nan 0.000 0.565 150 A N 0.448 123.266 122.820 -0.003 0.000 2.440 150 A HA 0.423 4.743 4.320 -0.000 0.000 0.251 150 A C 0.798 178.380 177.584 -0.004 0.000 1.089 150 A CA -0.205 51.839 52.037 0.011 0.000 0.779 150 A CB -0.135 18.897 19.000 0.054 0.000 1.022 150 A HN 0.794 nan 8.150 nan 0.000 0.492 151 C N 5.216 124.499 119.300 -0.030 0.000 2.590 151 C HA 0.244 4.704 4.460 -0.000 0.000 0.411 151 C C -0.840 174.098 174.990 -0.086 0.000 1.420 151 C CA -0.931 58.050 59.018 -0.062 0.000 1.643 151 C CB -0.329 27.362 27.740 -0.082 0.000 2.528 151 C HN 0.729 nan 8.230 nan 0.000 0.606 152 P HA -0.058 nan 4.420 nan 0.000 0.223 152 P C 1.407 178.507 177.300 -0.333 0.000 1.151 152 P CA 1.178 64.199 63.100 -0.132 0.000 0.787 152 P CB -0.018 31.652 31.700 -0.051 0.000 0.788 153 E N -0.709 119.336 120.200 -0.258 0.000 2.046 153 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 153 E C 1.607 178.010 176.600 -0.327 0.000 0.982 153 E CA 1.816 58.064 56.400 -0.253 0.000 0.800 153 E CB -0.175 29.423 29.700 -0.169 0.000 0.756 153 E HN 0.366 nan 8.360 nan 0.000 0.449 154 C N -2.797 116.336 119.300 -0.279 0.000 3.230 154 C HA 0.334 4.794 4.460 -0.000 0.000 0.300 154 C C 0.435 175.389 174.990 -0.060 0.000 1.292 154 C CA -0.204 58.727 59.018 -0.145 0.000 1.707 154 C CB -0.862 26.839 27.740 -0.064 0.000 2.181 154 C HN 0.497 nan 8.230 nan 0.000 0.655 155 H N 0.986 120.070 119.070 0.023 0.000 2.880 155 H HA 0.019 4.575 4.556 -0.000 0.000 0.304 155 H C 1.398 176.741 175.328 0.026 0.000 1.259 155 H CA 1.130 57.192 56.048 0.024 0.000 1.153 155 H CB -1.614 28.168 29.762 0.034 0.000 1.395 155 H HN 1.188 nan 8.280 nan 0.000 0.420 156 G N -0.783 108.063 108.800 0.077 0.000 2.157 156 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.248 156 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.248 156 G C 0.926 175.866 174.900 0.066 0.000 0.979 156 G CA 0.380 45.514 45.100 0.055 0.000 0.650 156 G HN 0.483 nan 8.290 nan 0.000 0.529 157 L N -0.105 121.175 121.223 0.094 0.000 2.375 157 L HA 0.339 4.679 4.340 -0.000 0.000 0.215 157 L C 2.525 179.449 176.870 0.089 0.000 1.108 157 L CA 1.115 56.033 54.840 0.130 0.000 0.830 157 L CB -0.292 41.913 42.059 0.242 0.000 0.959 157 L HN 1.020 nan 8.230 nan 0.000 0.457 158 G N 0.265 109.083 108.800 0.030 0.000 2.234 158 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.260 158 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.260 158 G C 0.367 175.238 174.900 -0.048 0.000 0.987 158 G CA 0.014 45.108 45.100 -0.009 0.000 0.625 158 G HN 0.242 nan 8.290 nan 0.000 0.532 159 R N -0.414 120.051 120.500 -0.058 0.000 2.750 159 R HA 0.680 5.020 4.340 -0.000 0.000 0.281 159 R C -0.858 175.243 176.300 -0.332 0.000 0.972 159 R CA -0.705 55.254 56.100 -0.235 0.000 0.912 159 R CB 2.227 32.320 30.300 -0.345 0.000 1.187 159 R HN 0.156 nan 8.270 nan 0.000 0.464 160 V N 3.451 123.115 119.914 -0.418 0.000 2.398 160 V HA 0.385 4.505 4.120 -0.000 0.000 0.286 160 V C -1.062 174.768 176.094 -0.440 0.000 1.026 160 V CA -0.605 61.513 62.300 -0.304 0.000 0.868 160 V CB 1.170 32.889 31.823 -0.174 0.000 0.982 160 V HN 0.546 nan 8.190 nan 0.000 0.443 161 Y N 3.108 123.355 120.300 -0.089 0.000 2.328 161 Y HA 0.606 5.156 4.550 -0.000 0.000 0.337 161 Y C 0.810 176.653 175.900 -0.095 0.000 0.966 161 Y CA -0.581 57.434 58.100 -0.140 0.000 1.136 161 Y CB 2.003 40.288 38.460 -0.292 0.000 1.170 161 Y HN 0.734 nan 8.280 nan 0.000 0.470 162 T N -0.392 114.199 114.554 0.060 0.000 2.883 162 T HA 0.825 5.175 4.350 -0.000 0.000 0.284 162 T C -1.174 173.568 174.700 0.070 0.000 1.041 162 T CA -1.038 61.096 62.100 0.057 0.000 1.007 162 T CB 1.982 70.871 68.868 0.036 0.000 1.220 162 T HN 0.372 nan 8.240 nan 0.000 0.552 163 V N 1.090 121.069 119.914 0.108 0.000 2.932 163 V HA 0.755 4.875 4.120 -0.000 0.000 0.307 163 V C -0.713 175.520 176.094 0.231 0.000 1.147 163 V CA -0.222 62.152 62.300 0.122 0.000 0.951 163 V CB 2.348 34.217 31.823 0.076 0.000 1.031 163 V HN 1.484 nan 8.190 nan 0.000 0.426 164 T N 0.626 115.291 114.554 0.185 0.000 2.864 164 T HA 0.470 4.820 4.350 -0.000 0.000 0.289 164 T C 0.726 175.548 174.700 0.203 0.000 1.082 164 T CA 0.048 62.312 62.100 0.274 0.000 1.009 164 T CB 1.925 70.889 68.868 0.161 0.000 1.234 164 T HN 0.693 nan 8.240 nan 0.000 0.526 165 E N 0.317 120.684 120.200 0.278 0.000 2.077 165 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 165 E C 0.983 177.616 176.600 0.054 0.000 0.989 165 E CA 1.940 58.433 56.400 0.154 0.000 0.800 165 E CB -0.238 29.633 29.700 0.284 0.000 0.746 165 E HN 0.717 nan 8.360 nan 0.000 0.452 166 D N 0.013 120.462 120.400 0.081 0.000 2.117 166 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 166 D C 2.158 178.472 176.300 0.024 0.000 0.987 166 D CA 1.632 55.660 54.000 0.045 0.000 0.829 166 D CB -0.367 40.466 40.800 0.054 0.000 0.961 166 D HN 0.233 nan 8.370 nan 0.000 0.460 167 S N -0.351 115.372 115.700 0.038 0.000 2.402 167 S HA -0.100 4.370 4.470 -0.000 0.000 0.229 167 S C 1.923 176.567 174.600 0.073 0.000 1.021 167 S CA 0.715 58.943 58.200 0.047 0.000 0.974 167 S CB -0.256 62.977 63.200 0.055 0.000 0.800 167 S HN 0.162 nan 8.310 nan 0.000 0.484 168 M N 0.999 120.589 119.600 -0.016 0.000 2.466 168 M HA 0.266 4.746 4.480 -0.000 0.000 0.265 168 M C 0.603 176.755 176.300 -0.247 0.000 1.122 168 M CA 0.452 55.672 55.300 -0.134 0.000 1.157 168 M CB 0.934 33.359 32.600 -0.292 0.000 1.352 168 M HN 0.312 nan 8.290 nan 0.000 0.464 169 V N 0.518 120.280 119.914 -0.253 0.000 2.276 169 V HA 0.340 4.460 4.120 -0.000 0.000 0.268 169 V C -2.445 173.559 176.094 -0.150 0.000 1.032 169 V CA -1.639 60.464 62.300 -0.330 0.000 0.810 169 V CB 0.807 32.197 31.823 -0.722 0.000 1.060 169 V HN 0.035 nan 8.190 nan 0.000 0.446 170 P HA 0.066 nan 4.420 nan 0.000 0.219 170 P C 0.067 177.356 177.300 -0.019 0.000 1.150 170 P CA 1.014 64.101 63.100 -0.022 0.000 0.814 170 P CB 0.231 31.936 31.700 0.008 0.000 0.787 171 D N -1.102 119.275 120.400 -0.037 0.000 2.454 171 D HA 0.200 4.840 4.640 -0.000 0.000 0.247 171 D C -2.233 174.060 176.300 -0.011 0.000 1.129 171 D CA -2.318 51.675 54.000 -0.010 0.000 0.877 171 D CB 1.075 41.874 40.800 -0.001 0.000 1.082 171 D HN -0.072 nan 8.370 nan 0.000 0.537 172 P HA 0.034 nan 4.420 nan 0.000 0.249 172 P C 1.004 178.405 177.300 0.167 0.000 1.229 172 P CA 0.276 63.463 63.100 0.145 0.000 0.788 172 P CB 0.251 32.084 31.700 0.222 0.000 1.072 173 S N -1.452 114.308 115.700 0.100 0.000 2.461 173 S HA 0.004 4.474 4.470 -0.000 0.000 0.228 173 S C 0.917 175.572 174.600 0.091 0.000 1.005 173 S CA 0.246 58.498 58.200 0.088 0.000 0.942 173 S CB -0.869 62.366 63.200 0.058 0.000 0.776 173 S HN -0.054 nan 8.310 nan 0.000 0.514 174 L N 2.414 123.686 121.223 0.081 0.000 2.467 174 L HA 0.369 4.709 4.340 -0.000 0.000 0.270 174 L C 0.920 177.863 176.870 0.122 0.000 1.205 174 L CA 0.473 55.357 54.840 0.072 0.000 0.828 174 L CB 0.097 42.174 42.059 0.029 0.000 1.101 174 L HN 0.151 nan 8.230 nan 0.000 0.479 175 T N 2.497 117.114 114.554 0.105 0.000 2.899 175 T HA 0.345 4.695 4.350 -0.000 0.000 0.284 175 T C 1.852 176.639 174.700 0.144 0.000 1.004 175 T CA -0.405 61.773 62.100 0.130 0.000 1.043 175 T CB 0.530 69.452 68.868 0.090 0.000 1.013 175 T HN 0.413 nan 8.240 nan 0.000 0.518 176 I N 1.715 122.405 120.570 0.199 0.000 2.208 176 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 176 I C 2.767 178.968 176.117 0.141 0.000 1.097 176 I CA 1.335 62.762 61.300 0.211 0.000 1.363 176 I CB -0.261 37.920 38.000 0.302 0.000 1.051 176 I HN 0.611 nan 8.210 nan 0.000 0.413 177 R N 1.117 121.681 120.500 0.107 0.000 2.193 177 R HA -0.163 4.177 4.340 -0.000 0.000 0.229 177 R C 1.337 177.668 176.300 0.052 0.000 1.110 177 R CA 1.208 57.349 56.100 0.068 0.000 0.988 177 R CB -0.021 30.310 30.300 0.053 0.000 0.871 177 R HN 0.419 nan 8.270 nan 0.000 0.458 178 E N 0.331 120.564 120.200 0.056 0.000 2.403 178 E HA 0.037 4.387 4.350 -0.000 0.000 0.187 178 E C -0.472 176.145 176.600 0.029 0.000 1.073 178 E CA -0.135 56.290 56.400 0.040 0.000 0.888 178 E CB 0.186 29.912 29.700 0.042 0.000 1.035 178 E HN 0.181 nan 8.360 nan 0.000 0.471 179 R N -1.268 119.252 120.500 0.034 0.000 3.422 179 R HA -0.271 4.069 4.340 -0.000 0.000 0.267 179 R C 1.048 177.323 176.300 -0.043 0.000 1.074 179 R CA 0.278 56.387 56.100 0.015 0.000 0.718 179 R CB -2.241 28.064 30.300 0.009 0.000 1.157 179 R HN 0.294 nan 8.270 nan 0.000 0.440 180 A N 0.539 123.327 122.820 -0.053 0.000 1.948 180 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 180 A C 1.340 178.700 177.584 -0.375 0.000 1.177 180 A CA 1.634 53.574 52.037 -0.161 0.000 0.636 180 A CB 0.149 19.095 19.000 -0.090 0.000 0.815 180 A HN 0.316 nan 8.150 nan 0.000 0.449 181 V N 0.232 119.894 119.914 -0.420 0.000 2.267 181 V HA 0.530 4.650 4.120 -0.000 0.000 0.254 181 V C 1.216 177.071 176.094 -0.398 0.000 1.144 181 V CA 0.101 62.040 62.300 -0.601 0.000 0.992 181 V CB -0.188 31.055 31.823 -0.967 0.000 1.199 181 V HN 0.524 nan 8.190 nan 0.000 0.493 182 A N 5.356 127.971 122.820 -0.341 0.000 2.015 182 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 182 A C 2.267 179.491 177.584 -0.600 0.000 1.163 182 A CA 1.598 53.472 52.037 -0.272 0.000 0.646 182 A CB -0.306 18.658 19.000 -0.060 0.000 0.806 182 A HN 1.414 nan 8.150 nan 0.000 0.448 183 A N -1.612 120.723 122.820 -0.808 0.000 2.125 183 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 183 A C 0.759 178.080 177.584 -0.439 0.000 1.156 183 A CA 0.162 51.623 52.037 -0.959 0.000 0.671 183 A CB -0.403 18.214 19.000 -0.639 0.000 0.794 183 A HN 0.594 nan 8.150 nan 0.000 0.459 184 W N 0.209 121.232 121.300 -0.462 0.000 2.126 184 W HA 0.369 5.029 4.660 -0.000 0.000 0.346 184 W C -2.415 173.832 176.519 -0.453 0.000 1.279 184 W CA -2.476 54.565 57.345 -0.507 0.000 1.259 184 W CB -0.324 28.902 29.460 -0.390 0.000 1.133 184 W HN 0.007 nan 8.180 nan 0.000 0.592 185 P HA -0.020 nan 4.420 nan 0.000 0.270 185 P C -0.301 176.965 177.300 -0.057 0.000 1.223 185 P CA 0.190 63.202 63.100 -0.147 0.000 0.785 185 P CB 0.547 32.150 31.700 -0.161 0.000 0.923 186 Q N 0.968 120.774 119.800 0.010 0.000 2.500 186 Q HA 0.410 4.750 4.340 -0.000 0.000 0.215 186 Q C 0.978 176.995 176.000 0.028 0.000 1.062 186 Q CA -0.044 55.773 55.803 0.023 0.000 0.996 186 Q CB 0.053 28.821 28.738 0.049 0.000 1.239 186 Q HN 0.590 nan 8.270 nan 0.000 0.578 187 A N 0.151 122.993 122.820 0.038 0.000 5.668 187 A HA -0.305 4.015 4.320 -0.000 0.000 0.317 187 A C 0.739 178.368 177.584 0.076 0.000 1.826 187 A CA 1.976 54.054 52.037 0.068 0.000 0.735 187 A CB -1.657 17.399 19.000 0.093 0.000 1.336 187 A HN 1.102 nan 8.150 nan 0.000 0.396 188 W N 0.276 121.544 121.300 -0.053 0.000 2.321 188 W HA -0.007 4.653 4.660 0.000 0.000 0.306 188 W C 2.357 178.812 176.519 -0.106 0.000 1.217 188 W CA 3.459 60.763 57.345 -0.069 0.000 1.257 188 W CB -0.802 28.613 29.460 -0.074 0.000 1.145 188 W HN 0.912 nan 8.180 nan 0.000 0.509 189 G N -0.209 108.645 108.800 0.089 0.000 2.450 189 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 189 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 189 G C 1.631 176.272 174.900 -0.431 0.000 1.130 189 G CA 1.055 46.065 45.100 -0.150 0.000 0.760 189 G HN 0.502 nan 8.290 nan 0.000 0.557 190 G N 0.625 109.233 108.800 -0.321 0.000 2.421 190 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.217 190 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.217 190 G C 1.775 176.451 174.900 -0.373 0.000 1.143 190 G CA 1.168 46.075 45.100 -0.322 0.000 0.784 190 G HN 0.662 nan 8.290 nan 0.000 0.541 191 Q N 0.050 119.612 119.800 -0.397 0.000 2.212 191 Q HA 0.064 4.404 4.340 -0.000 0.000 0.199 191 Q C 2.070 177.770 176.000 -0.501 0.000 0.950 191 Q CA 1.011 56.591 55.803 -0.373 0.000 0.863 191 Q CB -0.673 27.888 28.738 -0.295 0.000 0.944 191 Q HN 0.519 nan 8.270 nan 0.000 0.465 192 N N 0.002 118.205 118.700 -0.828 0.000 2.037 192 N HA -0.256 4.484 4.740 -0.000 0.000 0.196 192 N C 1.782 177.002 175.510 -0.483 0.000 1.034 192 N CA 1.669 54.261 53.050 -0.763 0.000 0.861 192 N CB 0.064 37.892 38.487 -1.099 0.000 1.039 192 N HN 0.303 nan 8.380 nan 0.000 0.427 193 Q N 0.515 119.927 119.800 -0.648 0.000 2.167 193 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 193 Q C 2.081 177.858 176.000 -0.371 0.000 0.970 193 Q CA 0.706 56.074 55.803 -0.726 0.000 0.855 193 Q CB -0.392 27.227 28.738 -1.865 0.000 0.911 193 Q HN 0.439 nan 8.270 nan 0.000 0.438 194 R N 1.026 121.347 120.500 -0.299 0.000 2.075 194 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 194 R C 0.845 177.124 176.300 -0.036 0.000 1.126 194 R CA 1.323 57.392 56.100 -0.053 0.000 0.963 194 R CB 0.070 30.349 30.300 -0.036 0.000 0.858 194 R HN 0.120 nan 8.270 nan 0.000 0.435 195 D N 0.556 120.893 120.400 -0.105 0.000 2.224 195 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 195 D C 1.960 178.231 176.300 -0.049 0.000 0.965 195 D CA 0.727 54.687 54.000 -0.067 0.000 0.852 195 D CB -0.051 40.699 40.800 -0.084 0.000 0.947 195 D HN 0.321 nan 8.370 nan 0.000 0.494 196 I N 0.513 121.053 120.570 -0.050 0.000 2.202 196 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 196 I C 2.317 178.461 176.117 0.046 0.000 1.091 196 I CA 0.685 61.993 61.300 0.012 0.000 1.368 196 I CB -0.138 37.920 38.000 0.097 0.000 1.058 196 I HN -0.032 nan 8.210 nan 0.000 0.410 197 L N 0.454 121.732 121.223 0.090 0.000 2.127 197 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 197 L C 2.712 179.604 176.870 0.036 0.000 1.089 197 L CA 1.349 56.242 54.840 0.089 0.000 0.757 197 L CB -0.918 41.259 42.059 0.196 0.000 0.899 197 L HN 0.318 nan 8.230 nan 0.000 0.434 198 V N -3.922 116.011 119.914 0.032 0.000 2.548 198 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 198 V C 2.270 178.370 176.094 0.010 0.000 1.055 198 V CA 2.025 64.336 62.300 0.019 0.000 1.065 198 V CB -0.764 31.072 31.823 0.022 0.000 0.681 198 V HN 0.318 nan 8.190 nan 0.000 0.462 199 T N 1.378 115.944 114.554 0.020 0.000 2.746 199 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 199 T C 1.760 176.454 174.700 -0.009 0.000 1.039 199 T CA 2.120 64.238 62.100 0.030 0.000 1.142 199 T CB -0.433 68.457 68.868 0.036 0.000 0.866 199 T HN 0.468 nan 8.240 nan 0.000 0.444 200 L N 0.315 121.517 121.223 -0.035 0.000 2.551 200 L HA 0.163 4.503 4.340 -0.000 0.000 0.228 200 L C 1.835 178.645 176.870 -0.099 0.000 1.153 200 L CA 0.494 55.282 54.840 -0.087 0.000 0.851 200 L CB -0.515 41.456 42.059 -0.147 0.000 0.959 200 L HN 0.526 nan 8.230 nan 0.000 0.451 201 G N 0.733 109.495 108.800 -0.063 0.000 2.137 201 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.237 201 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.237 201 G C 0.104 174.965 174.900 -0.066 0.000 1.002 201 G CA -0.227 44.837 45.100 -0.061 0.000 0.702 201 G HN 0.274 nan 8.290 nan 0.000 0.515 202 I N 0.542 121.079 120.570 -0.056 0.000 2.499 202 I HA 0.295 4.465 4.170 -0.000 0.000 0.296 202 I C 0.141 176.257 176.117 -0.002 0.000 0.992 202 I CA -0.678 60.598 61.300 -0.039 0.000 1.297 202 I CB 1.105 39.091 38.000 -0.023 0.000 1.410 202 I HN -0.002 nan 8.210 nan 0.000 0.507 203 D N 4.788 125.186 120.400 -0.003 0.000 2.339 203 D HA 0.130 4.770 4.640 -0.000 0.000 0.241 203 D C 0.417 176.748 176.300 0.052 0.000 1.183 203 D CA 0.128 54.136 54.000 0.013 0.000 0.859 203 D CB 1.552 42.349 40.800 -0.005 0.000 1.067 203 D HN 0.180 nan 8.370 nan 0.000 0.484 204 V N 3.457 123.410 119.914 0.064 0.000 3.590 204 V HA 0.028 4.148 4.120 -0.000 0.000 0.265 204 V C 0.564 176.710 176.094 0.087 0.000 1.239 204 V CA 0.735 63.094 62.300 0.097 0.000 1.117 204 V CB 0.115 31.990 31.823 0.086 0.000 0.818 204 V HN 0.534 nan 8.190 nan 0.000 0.451 205 D N -0.116 120.321 120.400 0.060 0.000 2.670 205 D HA 0.275 4.915 4.640 -0.000 0.000 0.255 205 D C -0.362 175.966 176.300 0.047 0.000 1.286 205 D CA 0.390 54.421 54.000 0.051 0.000 0.830 205 D CB 1.761 42.582 40.800 0.035 0.000 1.065 205 D HN 0.164 nan 8.370 nan 0.000 0.486 206 V N 1.515 121.463 119.914 0.058 0.000 2.789 206 V HA 0.309 4.429 4.120 -0.000 0.000 0.311 206 V C -2.343 173.796 176.094 0.076 0.000 1.073 206 V CA -2.104 60.224 62.300 0.047 0.000 0.921 206 V CB 3.084 34.919 31.823 0.021 0.000 1.009 206 V HN -0.102 nan 8.190 nan 0.000 0.426 207 P HA -0.017 nan 4.420 nan 0.000 0.267 207 P C 0.518 177.908 177.300 0.150 0.000 1.200 207 P CA 0.107 63.277 63.100 0.117 0.000 0.772 207 P CB 0.535 32.288 31.700 0.088 0.000 0.855 208 W N 5.641 126.952 121.300 0.019 0.000 2.298 208 W HA -0.276 4.384 4.660 -0.000 0.000 0.328 208 W C 1.809 178.342 176.519 0.023 0.000 1.259 208 W CA 2.067 59.423 57.345 0.019 0.000 1.251 208 W CB -0.415 29.050 29.460 0.009 0.000 1.161 208 W HN 0.382 nan 8.180 nan 0.000 0.466 209 R N 0.587 121.153 120.500 0.111 0.000 2.261 209 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 209 R C 1.111 177.371 176.300 -0.066 0.000 1.141 209 R CA 1.751 57.855 56.100 0.007 0.000 1.001 209 R CB -0.759 29.598 30.300 0.094 0.000 0.866 209 R HN 0.158 nan 8.270 nan 0.000 0.468 210 E N 0.980 121.143 120.200 -0.062 0.000 2.442 210 E HA 0.152 4.502 4.350 -0.000 0.000 0.195 210 E C 0.690 177.223 176.600 -0.112 0.000 1.030 210 E CA 0.110 56.473 56.400 -0.062 0.000 0.869 210 E CB 0.047 29.732 29.700 -0.025 0.000 0.857 210 E HN 0.376 nan 8.360 nan 0.000 0.505 211 L N 2.267 123.367 121.223 -0.205 0.000 2.417 211 L HA 0.194 4.534 4.340 -0.000 0.000 0.268 211 L C -2.014 174.724 176.870 -0.220 0.000 1.158 211 L CA -1.919 52.776 54.840 -0.242 0.000 0.819 211 L CB 0.017 41.838 42.059 -0.398 0.000 1.112 211 L HN -0.215 nan 8.230 nan 0.000 0.458 212 P HA -0.056 nan 4.420 nan 0.000 0.267 212 P C 0.274 177.504 177.300 -0.117 0.000 1.200 212 P CA -0.039 62.993 63.100 -0.113 0.000 0.772 212 P CB 0.588 32.235 31.700 -0.087 0.000 0.855 213 E N 2.391 122.550 120.200 -0.067 0.000 2.130 213 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 213 E C 1.578 178.205 176.600 0.045 0.000 0.998 213 E CA 1.741 58.131 56.400 -0.017 0.000 0.806 213 E CB -0.381 29.318 29.700 -0.001 0.000 0.738 213 E HN 0.525 nan 8.360 nan 0.000 0.459 214 E N -0.765 119.450 120.200 0.025 0.000 2.038 214 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 214 E C 1.905 178.585 176.600 0.134 0.000 1.000 214 E CA 1.982 58.425 56.400 0.070 0.000 0.803 214 E CB -0.132 29.573 29.700 0.009 0.000 0.750 214 E HN 0.371 nan 8.360 nan 0.000 0.448 215 T N 0.664 115.237 114.554 0.032 0.000 2.708 215 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 215 T C 1.831 176.583 174.700 0.086 0.000 1.037 215 T CA 1.360 63.478 62.100 0.030 0.000 1.146 215 T CB -0.213 68.599 68.868 -0.094 0.000 0.865 215 T HN 0.188 nan 8.240 nan 0.000 0.435 216 R N 0.099 120.557 120.500 -0.069 0.000 2.081 216 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 216 R C 2.488 178.964 176.300 0.292 0.000 1.131 216 R CA 1.272 57.305 56.100 -0.112 0.000 0.960 216 R CB -0.564 29.531 30.300 -0.342 0.000 0.856 216 R HN 0.534 nan 8.270 nan 0.000 0.436 217 H N -0.277 118.946 119.070 0.255 0.000 2.290 217 H HA -0.217 4.339 4.556 -0.000 0.000 0.298 217 H C 1.933 177.517 175.328 0.427 0.000 1.087 217 H CA 2.165 58.456 56.048 0.405 0.000 1.291 217 H CB -0.216 29.721 29.762 0.292 0.000 1.369 217 H HN 0.303 nan 8.280 nan 0.000 0.492 218 W N 1.535 122.984 121.300 0.250 0.000 2.315 218 W HA -0.230 4.430 4.660 -0.000 0.000 0.323 218 W C 2.616 179.254 176.519 0.198 0.000 1.233 218 W CA 2.245 59.702 57.345 0.186 0.000 1.267 218 W CB -0.708 28.822 29.460 0.116 0.000 1.160 218 W HN 0.147 nan 8.180 nan 0.000 0.474 219 I N -0.095 120.783 120.570 0.513 0.000 2.145 219 I HA -0.364 3.806 4.170 -0.000 0.000 0.244 219 I C 2.180 178.348 176.117 0.086 0.000 1.075 219 I CA 1.301 62.882 61.300 0.469 0.000 1.332 219 I CB -0.807 37.526 38.000 0.554 0.000 1.033 219 I HN 0.064 nan 8.210 nan 0.000 0.410 220 L N -1.022 120.139 121.223 -0.105 0.000 2.162 220 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 220 L C 1.679 178.046 176.870 -0.840 0.000 1.086 220 L CA 1.894 56.367 54.840 -0.611 0.000 0.778 220 L CB -0.506 41.066 42.059 -0.813 0.000 0.928 220 L HN 0.124 nan 8.230 nan 0.000 0.446 221 F N -2.519 117.298 119.950 -0.221 0.000 2.789 221 F HA 0.238 4.765 4.527 -0.000 0.000 0.320 221 F C 1.368 177.042 175.800 -0.210 0.000 1.079 221 F CA -0.465 57.376 58.000 -0.264 0.000 1.205 221 F CB -0.555 38.167 39.000 -0.464 0.000 1.046 221 F HN -0.265 nan 8.300 nan 0.000 0.586 222 T N 0.559 115.028 114.554 -0.142 0.000 2.908 222 T HA -0.071 4.279 4.350 -0.000 0.000 0.325 222 T C 0.982 175.617 174.700 -0.110 0.000 1.092 222 T CA 0.415 62.388 62.100 -0.212 0.000 1.125 222 T CB 0.412 68.825 68.868 -0.759 0.000 1.016 222 T HN 0.117 nan 8.240 nan 0.000 0.550 223 D N 2.060 122.440 120.400 -0.034 0.000 2.367 223 D HA 0.109 4.749 4.640 -0.000 0.000 0.207 223 D C 0.479 176.794 176.300 0.026 0.000 1.034 223 D CA 0.223 54.227 54.000 0.006 0.000 0.861 223 D CB 0.243 41.067 40.800 0.041 0.000 0.943 223 D HN 0.669 nan 8.370 nan 0.000 0.515 224 E N 1.081 121.298 120.200 0.029 0.000 2.413 224 E HA 0.051 4.401 4.350 -0.000 0.000 0.263 224 E C 0.208 176.907 176.600 0.166 0.000 1.015 224 E CA 0.521 56.990 56.400 0.114 0.000 0.916 224 E CB 0.573 30.399 29.700 0.212 0.000 0.947 224 E HN 0.095 nan 8.360 nan 0.000 0.440 225 Q N 2.997 122.911 119.800 0.190 0.000 3.048 225 Q HA 0.223 4.563 4.340 -0.000 0.000 0.337 225 Q C -2.321 173.809 176.000 0.216 0.000 0.845 225 Q CA -1.496 54.435 55.803 0.214 0.000 0.942 225 Q CB 1.108 29.910 28.738 0.107 0.000 1.454 225 Q HN 0.401 nan 8.270 nan 0.000 0.392 226 P HA 0.052 nan 4.420 nan 0.000 0.269 226 P C -0.308 177.091 177.300 0.163 0.000 1.215 226 P CA -0.090 63.127 63.100 0.194 0.000 0.780 226 P CB 1.295 33.113 31.700 0.198 0.000 0.898 227 V N 3.501 123.478 119.914 0.106 0.000 2.357 227 V HA 0.346 4.466 4.120 -0.000 0.000 0.284 227 V C 0.495 176.616 176.094 0.044 0.000 1.018 227 V CA -0.484 61.862 62.300 0.076 0.000 0.841 227 V CB 1.397 33.257 31.823 0.061 0.000 0.991 227 V HN 0.538 nan 8.190 nan 0.000 0.437 228 V N 3.938 123.864 119.914 0.021 0.000 2.925 228 V HA 0.780 4.900 4.120 -0.000 0.000 0.311 228 V C -2.784 173.251 176.094 -0.098 0.000 1.104 228 V CA -2.685 59.604 62.300 -0.018 0.000 0.954 228 V CB 2.512 34.334 31.823 -0.002 0.000 1.022 228 V HN 0.604 nan 8.190 nan 0.000 0.427 229 P HA 0.259 nan 4.420 nan 0.000 0.267 229 P C -0.462 176.563 177.300 -0.459 0.000 1.205 229 P CA 0.207 63.134 63.100 -0.289 0.000 0.765 229 P CB 1.152 32.727 31.700 -0.207 0.000 0.828 230 V N 2.512 121.995 119.914 -0.719 0.000 2.628 230 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 230 V C -0.785 174.857 176.094 -0.753 0.000 1.045 230 V CA -0.861 61.012 62.300 -0.712 0.000 0.905 230 V CB 1.417 32.867 31.823 -0.621 0.000 0.997 230 V HN 0.343 nan 8.190 nan 0.000 0.436 231 Y N 3.073 123.273 120.300 -0.166 0.000 2.749 231 Y HA 0.526 5.076 4.550 -0.000 0.000 0.343 231 Y C -2.520 173.368 175.900 -0.021 0.000 1.015 231 Y CA -2.439 55.621 58.100 -0.067 0.000 1.270 231 Y CB 1.275 39.707 38.460 -0.048 0.000 1.097 231 Y HN 0.505 nan 8.280 nan 0.000 0.571 232 P HA 0.126 nan 4.420 nan 0.000 0.265 232 P C 1.012 178.383 177.300 0.119 0.000 1.193 232 P CA 1.152 64.335 63.100 0.139 0.000 0.765 232 P CB 0.886 32.715 31.700 0.215 0.000 0.823 233 G N 1.555 110.407 108.800 0.087 0.000 2.184 233 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 233 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 233 G C -0.013 174.919 174.900 0.054 0.000 0.975 233 G CA -0.218 44.922 45.100 0.068 0.000 0.642 233 G HN 0.453 nan 8.290 nan 0.000 0.536 234 L N 0.857 122.116 121.223 0.060 0.000 2.375 234 L HA 0.510 4.850 4.340 -0.000 0.000 0.271 234 L C 1.225 178.106 176.870 0.018 0.000 1.107 234 L CA -0.423 54.436 54.840 0.031 0.000 0.806 234 L CB 1.264 43.333 42.059 0.016 0.000 1.146 234 L HN 0.154 nan 8.230 nan 0.000 0.447 235 T N 2.275 116.830 114.554 0.002 0.000 2.898 235 T HA 0.119 4.469 4.350 -0.000 0.000 0.301 235 T C -1.509 173.184 174.700 -0.012 0.000 1.049 235 T CA -1.303 60.796 62.100 -0.002 0.000 1.095 235 T CB 1.317 70.182 68.868 -0.005 0.000 0.976 235 T HN 0.395 nan 8.240 nan 0.000 0.539 236 P HA -0.166 nan 4.420 nan 0.000 0.217 236 P C 1.215 178.496 177.300 -0.032 0.000 1.162 236 P CA 1.724 64.816 63.100 -0.014 0.000 0.901 236 P CB -0.041 31.655 31.700 -0.007 0.000 0.793 237 A N 0.410 123.212 122.820 -0.030 0.000 1.933 237 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 237 A C 2.139 179.689 177.584 -0.057 0.000 1.175 237 A CA 1.939 53.953 52.037 -0.039 0.000 0.628 237 A CB -1.204 17.779 19.000 -0.029 0.000 0.814 237 A HN 0.426 nan 8.150 nan 0.000 0.444 238 E N -1.120 119.045 120.200 -0.059 0.000 2.371 238 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 238 E C 1.422 177.936 176.600 -0.143 0.000 1.012 238 E CA 1.180 57.531 56.400 -0.083 0.000 0.860 238 E CB -0.547 29.117 29.700 -0.060 0.000 0.811 238 E HN 0.405 nan 8.360 nan 0.000 0.502 239 T N 1.313 115.786 114.554 -0.136 0.000 2.821 239 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 239 T C 1.737 176.307 174.700 -0.218 0.000 1.046 239 T CA 1.119 63.093 62.100 -0.210 0.000 1.139 239 T CB -0.024 68.797 68.868 -0.078 0.000 0.871 239 T HN 0.141 nan 8.240 nan 0.000 0.454 240 Q N 0.850 120.573 119.800 -0.128 0.000 2.230 240 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 240 Q C 2.355 178.286 176.000 -0.114 0.000 0.963 240 Q CA 0.944 56.686 55.803 -0.102 0.000 0.866 240 Q CB -0.167 28.531 28.738 -0.067 0.000 0.931 240 Q HN 0.544 nan 8.270 nan 0.000 0.452 241 R N 0.013 120.438 120.500 -0.126 0.000 2.127 241 R HA 0.120 4.460 4.340 -0.000 0.000 0.217 241 R C 2.226 178.435 176.300 -0.152 0.000 1.074 241 R CA 0.786 56.819 56.100 -0.112 0.000 0.991 241 R CB -0.249 29.997 30.300 -0.088 0.000 0.895 241 R HN 0.136 nan 8.270 nan 0.000 0.450 242 A N 1.923 124.589 122.820 -0.256 0.000 1.865 242 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 242 A C 2.211 179.623 177.584 -0.288 0.000 1.191 242 A CA 1.223 53.032 52.037 -0.381 0.000 0.623 242 A CB -0.645 17.846 19.000 -0.847 0.000 0.826 242 A HN 0.149 nan 8.150 nan 0.000 0.444 243 L N -1.035 120.031 121.223 -0.262 0.000 2.042 243 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 243 L C 2.631 179.473 176.870 -0.047 0.000 1.076 243 L CA 1.995 56.786 54.840 -0.081 0.000 0.749 243 L CB -0.390 41.646 42.059 -0.038 0.000 0.893 243 L HN 0.360 nan 8.230 nan 0.000 0.432 244 K N 0.693 121.053 120.400 -0.066 0.000 2.211 244 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 244 K C 1.856 178.435 176.600 -0.034 0.000 1.050 244 K CA 1.196 57.457 56.287 -0.043 0.000 0.945 244 K CB 0.156 32.628 32.500 -0.047 0.000 0.732 244 K HN 0.284 nan 8.250 nan 0.000 0.451 245 K N -0.112 120.262 120.400 -0.044 0.000 2.358 245 K HA 0.118 4.438 4.320 -0.000 0.000 0.197 245 K C -0.393 176.200 176.600 -0.012 0.000 1.025 245 K CA 0.016 56.285 56.287 -0.030 0.000 1.104 245 K CB 0.434 32.912 32.500 -0.038 0.000 0.855 245 K HN -0.149 nan 8.250 nan 0.000 0.531 246 K N 1.277 121.676 120.400 -0.002 0.000 3.125 246 K HA -0.174 4.146 4.320 -0.000 0.000 0.268 246 K C -0.210 176.421 176.600 0.051 0.000 1.078 246 K CA 0.979 57.284 56.287 0.030 0.000 0.775 246 K CB -1.930 30.584 32.500 0.023 0.000 1.253 246 K HN 0.641 nan 8.250 nan 0.000 0.486 247 M N -0.805 118.830 119.600 0.059 0.000 2.241 247 M HA 0.230 4.710 4.480 -0.000 0.000 0.335 247 M C 0.022 176.438 176.300 0.193 0.000 1.122 247 M CA -0.107 55.251 55.300 0.096 0.000 1.164 247 M CB 0.659 33.295 32.600 0.060 0.000 1.459 247 M HN 0.032 nan 8.290 nan 0.000 0.461 248 E N 2.524 122.808 120.200 0.141 0.000 2.480 248 E HA 0.105 4.455 4.350 -0.000 0.000 0.258 248 E C -2.230 174.439 176.600 0.115 0.000 0.984 248 E CA -1.261 55.201 56.400 0.103 0.000 0.930 248 E CB -0.341 29.397 29.700 0.064 0.000 0.936 248 E HN 0.448 nan 8.360 nan 0.000 0.466 249 P HA 0.029 nan 4.420 nan 0.000 0.276 249 P C 0.048 177.204 177.300 -0.240 0.000 1.230 249 P CA -0.036 62.800 63.100 -0.440 0.000 0.776 249 P CB 1.153 32.594 31.700 -0.431 0.000 0.888 250 S N 1.750 117.296 115.700 -0.258 0.000 2.359 250 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 250 S C 0.599 175.263 174.600 0.107 0.000 1.035 250 S CA 1.457 59.651 58.200 -0.009 0.000 1.018 250 S CB -0.753 62.505 63.200 0.096 0.000 0.876 250 S HN 0.725 nan 8.310 nan 0.000 0.448 251 Y N -1.893 118.344 120.300 -0.105 0.000 2.705 251 Y HA 0.717 5.267 4.550 -0.000 0.000 0.332 251 Y C -1.197 174.653 175.900 -0.083 0.000 1.221 251 Y CA -1.822 56.243 58.100 -0.059 0.000 1.059 251 Y CB 0.574 39.036 38.460 0.003 0.000 1.298 251 Y HN -0.232 nan 8.280 nan 0.000 0.459 252 M N 2.469 122.114 119.600 0.075 0.000 2.129 252 M HA 0.514 4.994 4.480 -0.000 0.000 0.348 252 M C 0.037 176.415 176.300 0.131 0.000 1.116 252 M CA -0.639 54.657 55.300 -0.006 0.000 1.022 252 M CB 0.766 33.383 32.600 0.028 0.000 1.599 252 M HN 0.995 nan 8.290 nan 0.000 0.449 253 G N 2.142 110.950 108.800 0.014 0.000 2.410 253 G HA2 0.693 4.653 3.960 -0.000 0.000 0.330 253 G HA3 0.693 4.653 3.960 -0.000 0.000 0.330 253 G C -0.899 174.063 174.900 0.104 0.000 1.142 253 G CA -0.313 44.871 45.100 0.141 0.000 0.902 253 G HN 0.579 nan 8.290 nan 0.000 0.491 254 T N 1.284 115.905 114.554 0.113 0.000 2.786 254 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 254 T C -0.668 174.094 174.700 0.104 0.000 0.992 254 T CA -0.258 61.904 62.100 0.104 0.000 0.954 254 T CB 1.202 70.111 68.868 0.068 0.000 0.934 254 T HN 0.353 nan 8.240 nan 0.000 0.440 255 F N 3.356 123.316 119.950 0.017 0.000 2.518 255 F HA 0.449 4.976 4.527 -0.000 0.000 0.359 255 F C 0.593 176.387 175.800 -0.010 0.000 1.118 255 F CA -0.095 57.911 58.000 0.010 0.000 1.287 255 F CB 0.609 39.669 39.000 0.099 0.000 1.132 255 F HN 0.486 nan 8.300 nan 0.000 0.587 256 S N 4.834 119.994 115.700 -0.901 0.000 2.614 256 S HA 0.535 5.005 4.470 -0.000 0.000 0.288 256 S C -0.640 173.438 174.600 -0.869 0.000 1.137 256 S CA -0.400 57.404 58.200 -0.661 0.000 0.992 256 S CB 0.659 63.688 63.200 -0.284 0.000 1.026 256 S HN 0.982 nan 8.310 nan 0.000 0.486 257 S N 3.876 119.199 115.700 -0.629 0.000 2.589 257 S HA 0.515 4.985 4.470 -0.000 0.000 0.265 257 S C 1.680 176.182 174.600 -0.164 0.000 1.342 257 S CA -0.209 57.778 58.200 -0.354 0.000 1.005 257 S CB 0.472 63.539 63.200 -0.222 0.000 0.909 257 S HN 1.456 nan 8.310 nan 0.000 0.555 258 A N 1.563 124.149 122.820 -0.390 0.000 1.908 258 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 258 A C 2.315 179.737 177.584 -0.270 0.000 1.181 258 A CA 1.707 53.413 52.037 -0.552 0.000 0.627 258 A CB -0.923 17.573 19.000 -0.841 0.000 0.818 258 A HN 0.932 nan 8.150 nan 0.000 0.445 259 R N -0.386 119.944 120.500 -0.282 0.000 2.080 259 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 259 R C 2.442 178.717 176.300 -0.042 0.000 1.137 259 R CA 1.921 57.937 56.100 -0.140 0.000 0.943 259 R CB -0.382 29.865 30.300 -0.088 0.000 0.846 259 R HN 0.539 nan 8.270 nan 0.000 0.431 260 R N -0.225 120.253 120.500 -0.037 0.000 2.112 260 R HA -0.243 4.097 4.340 -0.000 0.000 0.242 260 R C 2.640 178.969 176.300 0.048 0.000 1.137 260 R CA 2.242 58.345 56.100 0.006 0.000 0.944 260 R CB -0.741 29.537 30.300 -0.037 0.000 0.857 260 R HN 0.479 nan 8.270 nan 0.000 0.435 261 H N -0.257 118.803 119.070 -0.017 0.000 2.353 261 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 261 H C 1.878 177.239 175.328 0.055 0.000 1.090 261 H CA 2.005 58.067 56.048 0.024 0.000 1.327 261 H CB 0.095 29.908 29.762 0.085 0.000 1.383 261 H HN 0.183 nan 8.280 nan 0.000 0.508 262 V N 1.407 121.302 119.914 -0.032 0.000 2.307 262 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 262 V C 2.960 179.035 176.094 -0.032 0.000 1.045 262 V CA 1.508 63.778 62.300 -0.051 0.000 1.024 262 V CB -0.462 31.365 31.823 0.006 0.000 0.651 262 V HN 0.344 nan 8.190 nan 0.000 0.449 263 L N -0.963 120.260 121.223 0.000 0.000 2.179 263 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 263 L C 2.600 179.512 176.870 0.071 0.000 1.096 263 L CA 1.330 56.193 54.840 0.038 0.000 0.779 263 L CB -0.858 41.221 42.059 0.034 0.000 0.922 263 L HN 0.443 nan 8.230 nan 0.000 0.443 264 H N 0.524 119.567 119.070 -0.044 0.000 2.357 264 H HA -0.118 4.438 4.556 -0.000 0.000 0.301 264 H C 1.972 177.251 175.328 -0.083 0.000 1.082 264 H CA 1.983 57.999 56.048 -0.052 0.000 1.342 264 H CB 0.226 29.951 29.762 -0.060 0.000 1.389 264 H HN 0.195 nan 8.280 nan 0.000 0.511 265 T N 0.902 115.463 114.554 0.012 0.000 2.746 265 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 265 T C 1.823 176.509 174.700 -0.024 0.000 1.039 265 T CA 1.273 63.341 62.100 -0.053 0.000 1.142 265 T CB -0.699 68.015 68.868 -0.256 0.000 0.866 265 T HN 0.268 nan 8.240 nan 0.000 0.444 266 F N 2.192 122.060 119.950 -0.136 0.000 2.126 266 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 266 F C 2.364 178.071 175.800 -0.155 0.000 1.096 266 F CA 1.188 59.100 58.000 -0.148 0.000 1.255 266 F CB -0.384 38.503 39.000 -0.188 0.000 0.997 266 F HN 0.147 nan 8.300 nan 0.000 0.479 267 A N -0.773 122.001 122.820 -0.076 0.000 2.123 267 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 267 A C 1.679 179.122 177.584 -0.235 0.000 1.152 267 A CA 1.279 53.225 52.037 -0.151 0.000 0.728 267 A CB -0.334 18.622 19.000 -0.074 0.000 0.814 267 A HN 0.538 nan 8.150 nan 0.000 0.464 268 N N -1.108 117.447 118.700 -0.240 0.000 2.218 268 N HA 0.019 4.759 4.740 -0.000 0.000 0.224 268 N C 0.134 175.564 175.510 -0.132 0.000 1.248 268 N CA 0.863 53.783 53.050 -0.216 0.000 0.875 268 N CB 0.464 38.740 38.487 -0.352 0.000 1.165 268 N HN 0.489 nan 8.380 nan 0.000 0.485 269 T N -0.448 114.035 114.554 -0.119 0.000 2.868 269 T HA 0.283 4.633 4.350 -0.000 0.000 0.292 269 T C 0.962 175.609 174.700 -0.089 0.000 1.028 269 T CA -0.118 61.937 62.100 -0.074 0.000 1.059 269 T CB 1.704 70.540 68.868 -0.053 0.000 0.991 269 T HN 0.017 nan 8.240 nan 0.000 0.531 270 E N 0.015 120.180 120.200 -0.058 0.000 2.389 270 E HA 0.113 4.463 4.350 -0.000 0.000 0.199 270 E C 0.868 177.440 176.600 -0.047 0.000 0.978 270 E CA -0.160 56.206 56.400 -0.056 0.000 0.912 270 E CB 0.446 30.122 29.700 -0.040 0.000 0.907 270 E HN 0.593 nan 8.360 nan 0.000 0.494 271 S N 0.130 115.809 115.700 -0.034 0.000 2.562 271 S HA 0.225 4.695 4.470 -0.000 0.000 0.281 271 S C 0.900 175.482 174.600 -0.030 0.000 1.333 271 S CA 0.171 58.359 58.200 -0.021 0.000 1.052 271 S CB 1.276 64.474 63.200 -0.004 0.000 0.884 271 S HN 0.258 nan 8.310 nan 0.000 0.506 272 A N 3.643 126.451 122.820 -0.020 0.000 1.984 272 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 272 A C 2.240 179.819 177.584 -0.008 0.000 1.173 272 A CA 1.019 53.042 52.037 -0.024 0.000 0.673 272 A CB -0.869 18.120 19.000 -0.018 0.000 0.830 272 A HN 1.072 nan 8.150 nan 0.000 0.453 273 S N -0.675 115.029 115.700 0.006 0.000 2.436 273 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 273 S C 1.942 176.562 174.600 0.033 0.000 1.014 273 S CA 1.334 59.546 58.200 0.020 0.000 0.950 273 S CB -0.429 62.785 63.200 0.024 0.000 0.784 273 S HN 0.490 nan 8.310 nan 0.000 0.504 274 M N 1.695 121.313 119.600 0.030 0.000 2.156 274 M HA 0.136 4.616 4.480 -0.000 0.000 0.264 274 M C 2.215 178.546 176.300 0.051 0.000 1.067 274 M CA 1.454 56.784 55.300 0.049 0.000 1.131 274 M CB -0.191 32.432 32.600 0.039 0.000 1.368 274 M HN 0.222 nan 8.290 nan 0.000 0.416 275 K N 0.030 120.435 120.400 0.009 0.000 2.103 275 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 275 K C 1.981 178.619 176.600 0.062 0.000 1.048 275 K CA 1.595 57.878 56.287 -0.007 0.000 0.930 275 K CB -0.016 32.418 32.500 -0.110 0.000 0.716 275 K HN 0.302 nan 8.250 nan 0.000 0.444 276 K N 0.349 120.776 120.400 0.046 0.000 2.167 276 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 276 K C 2.236 178.868 176.600 0.053 0.000 1.052 276 K CA 0.630 56.947 56.287 0.050 0.000 0.956 276 K CB 0.058 32.576 32.500 0.029 0.000 0.735 276 K HN 0.045 nan 8.250 nan 0.000 0.451 277 R N 0.312 120.860 120.500 0.081 0.000 2.061 277 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 277 R C 1.969 178.392 176.300 0.206 0.000 1.140 277 R CA 1.493 57.666 56.100 0.122 0.000 0.940 277 R CB -0.574 29.829 30.300 0.173 0.000 0.839 277 R HN 0.028 nan 8.270 nan 0.000 0.429 278 V N 1.574 121.644 119.914 0.260 0.000 2.317 278 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 278 V C 2.470 178.713 176.094 0.248 0.000 1.065 278 V CA 2.259 64.749 62.300 0.317 0.000 1.049 278 V CB -0.507 31.435 31.823 0.199 0.000 0.651 278 V HN 0.508 nan 8.190 nan 0.000 0.450 279 Q N -0.752 119.139 119.800 0.152 0.000 2.291 279 Q HA -0.108 4.232 4.340 -0.000 0.000 0.205 279 Q C 2.142 178.128 176.000 -0.024 0.000 0.970 279 Q CA 1.189 57.039 55.803 0.079 0.000 0.876 279 Q CB -0.333 28.481 28.738 0.126 0.000 0.935 279 Q HN 0.734 nan 8.270 nan 0.000 0.455 280 G N -0.815 107.894 108.800 -0.151 0.000 2.509 280 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 280 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 280 G C 0.355 174.947 174.900 -0.513 0.000 1.124 280 G CA 0.435 45.304 45.100 -0.385 0.000 0.776 280 G HN 0.390 nan 8.290 nan 0.000 0.547 281 Y N -0.590 119.707 120.300 -0.006 0.000 2.607 281 Y HA 0.554 5.104 4.550 -0.000 0.000 0.266 281 Y C 0.926 176.806 175.900 -0.032 0.000 1.178 281 Y CA -0.473 57.610 58.100 -0.029 0.000 1.226 281 Y CB 0.109 38.544 38.460 -0.042 0.000 1.144 281 Y HN -0.009 nan 8.280 nan 0.000 0.528 282 M N 0.911 120.545 119.600 0.057 0.000 2.724 282 M HA 0.572 5.052 4.480 -0.000 0.000 0.310 282 M C -0.870 175.452 176.300 0.037 0.000 1.217 282 M CA -1.076 54.246 55.300 0.036 0.000 0.894 282 M CB 2.845 35.430 32.600 -0.025 0.000 1.719 282 M HN 0.046 nan 8.290 nan 0.000 0.479 283 I N -1.607 118.992 120.570 0.049 0.000 2.509 283 I HA 0.645 4.815 4.170 -0.000 0.000 0.293 283 I C -0.750 175.373 176.117 0.010 0.000 1.020 283 I CA -0.562 60.755 61.300 0.028 0.000 1.088 283 I CB 1.976 39.986 38.000 0.016 0.000 1.267 283 I HN 0.443 nan 8.210 nan 0.000 0.430 284 S N 3.536 119.218 115.700 -0.029 0.000 2.482 284 S HA 0.639 5.109 4.470 -0.000 0.000 0.303 284 S C -0.832 173.662 174.600 -0.176 0.000 1.091 284 S CA -0.259 57.844 58.200 -0.162 0.000 1.057 284 S CB 1.353 64.519 63.200 -0.057 0.000 1.031 284 S HN 0.787 nan 8.310 nan 0.000 0.485 285 E N 2.304 122.339 120.200 -0.275 0.000 2.383 285 E HA 0.426 4.776 4.350 -0.000 0.000 0.275 285 E C -1.635 174.842 176.600 -0.204 0.000 0.918 285 E CA -0.630 55.661 56.400 -0.181 0.000 0.764 285 E CB 1.248 30.866 29.700 -0.138 0.000 1.252 285 E HN 0.586 nan 8.360 nan 0.000 0.449 286 E N 1.210 121.337 120.200 -0.123 0.000 2.344 286 E HA 0.172 4.522 4.350 -0.000 0.000 0.270 286 E C -0.418 176.114 176.600 -0.113 0.000 1.021 286 E CA -0.292 56.047 56.400 -0.102 0.000 0.887 286 E CB 0.619 30.295 29.700 -0.040 0.000 0.997 286 E HN 0.531 nan 8.360 nan 0.000 0.429 287 C N 6.195 125.414 119.300 -0.134 0.000 2.465 287 C HA 0.014 4.474 4.460 -0.000 0.000 0.402 287 C C -1.088 173.783 174.990 -0.198 0.000 1.448 287 C CA -0.961 57.965 59.018 -0.154 0.000 1.589 287 C CB 0.038 27.691 27.740 -0.146 0.000 2.535 287 C HN 0.692 nan 8.230 nan 0.000 0.600 288 P HA 0.038 nan 4.420 nan 0.000 0.245 288 P C 1.208 178.180 177.300 -0.546 0.000 1.199 288 P CA 0.456 63.378 63.100 -0.297 0.000 0.807 288 P CB -0.008 31.627 31.700 -0.107 0.000 1.002 289 L N 0.307 121.312 121.223 -0.363 0.000 2.313 289 L HA 0.082 4.422 4.340 -0.000 0.000 0.214 289 L C 0.560 177.232 176.870 -0.332 0.000 1.119 289 L CA 1.095 55.759 54.840 -0.293 0.000 0.809 289 L CB -0.263 41.697 42.059 -0.165 0.000 0.933 289 L HN 0.067 nan 8.230 nan 0.000 0.449 290 C N -2.124 116.960 119.300 -0.361 0.000 3.123 290 C HA 0.432 4.892 4.460 -0.000 0.000 0.284 290 C C 0.157 175.033 174.990 -0.190 0.000 1.076 290 C CA -1.000 57.887 59.018 -0.218 0.000 1.416 290 C CB -1.453 26.221 27.740 -0.111 0.000 1.841 290 C HN 0.383 nan 8.230 nan 0.000 0.501 291 H N 2.007 121.061 119.070 -0.027 0.000 4.313 291 H HA 0.423 4.979 4.556 -0.000 0.000 0.194 291 H C 1.558 176.873 175.328 -0.022 0.000 1.339 291 H CA 1.535 57.567 56.048 -0.027 0.000 1.317 291 H CB -0.400 29.349 29.762 -0.022 0.000 1.521 291 H HN 1.205 nan 8.280 nan 0.000 0.809 292 G N -0.417 108.404 108.800 0.035 0.000 3.330 292 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.197 292 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.197 292 G C 0.350 175.257 174.900 0.012 0.000 1.284 292 G CA -0.582 44.534 45.100 0.026 0.000 0.921 292 G HN 0.305 nan 8.290 nan 0.000 0.466 293 K N 0.671 121.080 120.400 0.015 0.000 2.185 293 K HA 0.373 4.693 4.320 -0.000 0.000 0.245 293 K C 0.581 177.172 176.600 -0.016 0.000 1.035 293 K CA 0.228 56.516 56.287 0.001 0.000 0.847 293 K CB 0.561 33.063 32.500 0.003 0.000 1.056 293 K HN 0.441 nan 8.250 nan 0.000 0.518 294 R N -0.153 120.335 120.500 -0.020 0.000 2.549 294 R HA 0.156 4.496 4.340 -0.000 0.000 0.361 294 R C -0.404 175.877 176.300 -0.031 0.000 0.969 294 R CA -0.074 56.014 56.100 -0.020 0.000 1.158 294 R CB 0.093 30.393 30.300 0.001 0.000 1.456 294 R HN 0.285 nan 8.270 nan 0.000 0.540 295 L N -1.415 119.780 121.223 -0.047 0.000 2.230 295 L HA 0.569 4.909 4.340 -0.000 0.000 0.255 295 L C 0.274 177.097 176.870 -0.077 0.000 1.039 295 L CA -1.335 53.468 54.840 -0.062 0.000 0.846 295 L CB 0.238 42.249 42.059 -0.080 0.000 1.419 295 L HN -0.254 nan 8.230 nan 0.000 0.435 296 R N 0.110 120.556 120.500 -0.090 0.000 2.640 296 R HA -0.008 4.332 4.340 -0.000 0.000 0.270 296 R C 0.629 176.875 176.300 -0.090 0.000 1.024 296 R CA 0.294 56.342 56.100 -0.087 0.000 1.085 296 R CB 0.235 30.481 30.300 -0.090 0.000 0.963 296 R HN 0.677 nan 8.270 nan 0.000 0.426 297 Q N 1.608 121.369 119.800 -0.064 0.000 2.482 297 Q HA -0.127 4.213 4.340 -0.000 0.000 0.209 297 Q C 0.812 176.784 176.000 -0.046 0.000 0.961 297 Q CA 1.073 56.850 55.803 -0.044 0.000 0.945 297 Q CB 0.375 29.100 28.738 -0.022 0.000 1.012 297 Q HN 0.639 nan 8.270 nan 0.000 0.515 298 E N -1.544 118.615 120.200 -0.069 0.000 2.216 298 E HA 0.034 4.384 4.350 -0.000 0.000 0.192 298 E C 1.656 178.172 176.600 -0.140 0.000 0.973 298 E CA 0.791 57.149 56.400 -0.070 0.000 0.851 298 E CB -0.200 29.474 29.700 -0.044 0.000 0.804 298 E HN 0.240 nan 8.360 nan 0.000 0.477 299 A N 1.440 124.116 122.820 -0.240 0.000 2.066 299 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 299 A C 2.065 179.533 177.584 -0.193 0.000 1.157 299 A CA 0.662 52.429 52.037 -0.451 0.000 0.670 299 A CB -0.349 18.225 19.000 -0.709 0.000 0.804 299 A HN 0.342 nan 8.150 nan 0.000 0.453 300 L N -0.330 120.832 121.223 -0.102 0.000 2.446 300 L HA 0.013 4.353 4.340 -0.000 0.000 0.219 300 L C 1.076 177.954 176.870 0.014 0.000 1.116 300 L CA 1.006 55.833 54.840 -0.022 0.000 0.844 300 L CB -0.849 41.198 42.059 -0.020 0.000 0.970 300 L HN 0.338 nan 8.230 nan 0.000 0.457 301 N N -0.127 118.567 118.700 -0.010 0.000 2.354 301 N HA -0.055 4.685 4.740 -0.000 0.000 0.179 301 N C 0.673 176.186 175.510 0.004 0.000 1.021 301 N CA 0.355 53.407 53.050 0.004 0.000 0.887 301 N CB -0.028 38.458 38.487 -0.002 0.000 0.974 301 N HN 0.082 nan 8.380 nan 0.000 0.437 302 V N 1.582 121.480 119.914 -0.026 0.000 2.446 302 V HA 0.072 4.192 4.120 -0.000 0.000 0.276 302 V C 0.853 177.068 176.094 0.203 0.000 1.030 302 V CA 0.215 62.490 62.300 -0.043 0.000 1.033 302 V CB 0.582 32.331 31.823 -0.124 0.000 0.993 302 V HN 0.073 nan 8.190 nan 0.000 0.477 303 T N 4.632 119.267 114.554 0.136 0.000 2.922 303 T HA 0.777 5.127 4.350 -0.000 0.000 0.281 303 T C -1.268 173.489 174.700 0.095 0.000 1.005 303 T CA -0.467 61.749 62.100 0.193 0.000 0.982 303 T CB 1.207 70.135 68.868 0.100 0.000 1.158 303 T HN 0.502 nan 8.240 nan 0.000 0.566 304 F N 0.641 120.538 119.950 -0.090 0.000 2.639 304 F HA 0.495 5.022 4.527 -0.000 0.000 0.320 304 F C 0.303 176.043 175.800 -0.099 0.000 1.128 304 F CA 0.198 58.050 58.000 -0.247 0.000 1.037 304 F CB 0.908 39.535 39.000 -0.622 0.000 1.288 304 F HN 0.844 nan 8.300 nan 0.000 0.463 305 A N 3.254 125.715 122.820 -0.598 0.000 2.799 305 A HA 0.086 4.406 4.320 -0.000 0.000 0.274 305 A C 1.728 179.265 177.584 -0.079 0.000 1.393 305 A CA 1.906 53.765 52.037 -0.296 0.000 0.909 305 A CB -2.192 16.708 19.000 -0.167 0.000 1.012 305 A HN 2.769 nan 8.150 nan 0.000 0.653 306 G N -3.519 105.253 108.800 -0.046 0.000 2.179 306 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.220 306 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.220 306 G C -0.135 174.801 174.900 0.059 0.000 0.990 306 G CA 0.231 45.336 45.100 0.010 0.000 0.646 306 G HN 1.527 nan 8.290 nan 0.000 0.517 307 L N 1.947 123.237 121.223 0.113 0.000 2.408 307 L HA 0.511 4.851 4.340 -0.000 0.000 0.268 307 L C 0.038 177.070 176.870 0.270 0.000 0.986 307 L CA -1.259 53.678 54.840 0.161 0.000 0.820 307 L CB 1.752 43.908 42.059 0.163 0.000 1.303 307 L HN 0.311 nan 8.230 nan 0.000 0.411 308 D N 2.675 123.196 120.400 0.201 0.000 2.377 308 D HA 0.138 4.778 4.640 -0.000 0.000 0.245 308 D C 1.421 177.739 176.300 0.031 0.000 1.196 308 D CA -0.527 53.591 54.000 0.196 0.000 0.962 308 D CB 1.706 42.564 40.800 0.097 0.000 1.127 308 D HN 0.599 nan 8.370 nan 0.000 0.471 309 I N -1.731 118.650 120.570 -0.315 0.000 2.185 309 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 309 I C 2.079 178.104 176.117 -0.153 0.000 1.088 309 I CA 1.488 62.507 61.300 -0.469 0.000 1.347 309 I CB -1.245 36.447 38.000 -0.514 0.000 1.041 309 I HN 0.281 nan 8.210 nan 0.000 0.415 310 T N 1.084 115.591 114.554 -0.079 0.000 2.635 310 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 310 T C 1.760 176.459 174.700 -0.002 0.000 1.040 310 T CA 2.360 64.442 62.100 -0.029 0.000 1.156 310 T CB -0.381 68.481 68.868 -0.010 0.000 0.863 310 T HN 0.586 nan 8.240 nan 0.000 0.430 311 E N 0.587 120.799 120.200 0.020 0.000 2.107 311 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 311 E C 2.312 178.940 176.600 0.048 0.000 0.982 311 E CA 0.479 56.902 56.400 0.039 0.000 0.809 311 E CB -0.236 29.496 29.700 0.054 0.000 0.756 311 E HN 0.349 nan 8.360 nan 0.000 0.459 312 L N 0.950 122.212 121.223 0.064 0.000 2.079 312 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 312 L C 2.242 179.130 176.870 0.030 0.000 1.081 312 L CA 1.014 55.897 54.840 0.072 0.000 0.752 312 L CB -0.145 41.984 42.059 0.116 0.000 0.896 312 L HN 0.114 nan 8.230 nan 0.000 0.433 313 S N -0.764 114.939 115.700 0.004 0.000 2.453 313 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 313 S C 1.873 176.475 174.600 0.003 0.000 1.005 313 S CA 0.770 58.965 58.200 -0.008 0.000 0.949 313 S CB -0.115 63.069 63.200 -0.025 0.000 0.774 313 S HN 0.365 nan 8.310 nan 0.000 0.510 314 R N 0.502 121.010 120.500 0.013 0.000 2.148 314 R HA 0.136 4.476 4.340 -0.000 0.000 0.223 314 R C 0.299 176.612 176.300 0.023 0.000 1.088 314 R CA 0.435 56.547 56.100 0.019 0.000 0.985 314 R CB -0.230 30.084 30.300 0.023 0.000 0.880 314 R HN 0.331 nan 8.270 nan 0.000 0.451 315 L N 1.914 123.152 121.223 0.026 0.000 2.452 315 L HA 0.206 4.546 4.340 -0.000 0.000 0.267 315 L C -2.048 174.836 176.870 0.023 0.000 1.188 315 L CA -2.198 52.661 54.840 0.031 0.000 0.821 315 L CB 0.098 42.180 42.059 0.038 0.000 1.102 315 L HN -0.172 nan 8.230 nan 0.000 0.470 316 P HA 0.058 nan 4.420 nan 0.000 0.269 316 P C 0.746 178.051 177.300 0.009 0.000 1.215 316 P CA -0.242 62.870 63.100 0.021 0.000 0.780 316 P CB 0.548 32.277 31.700 0.049 0.000 0.898 317 L N 1.330 122.544 121.223 -0.016 0.000 2.129 317 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 317 L C 2.303 179.173 176.870 0.000 0.000 1.087 317 L CA 2.061 56.889 54.840 -0.019 0.000 0.757 317 L CB -1.113 40.920 42.059 -0.044 0.000 0.896 317 L HN 0.424 nan 8.230 nan 0.000 0.434 318 A N -0.279 122.552 122.820 0.018 0.000 1.930 318 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 318 A C 2.425 180.032 177.584 0.038 0.000 1.175 318 A CA 1.104 53.163 52.037 0.035 0.000 0.627 318 A CB -0.281 18.753 19.000 0.056 0.000 0.815 318 A HN 0.237 nan 8.150 nan 0.000 0.443 319 R N -0.451 120.072 120.500 0.039 0.000 2.073 319 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 319 R C 2.098 178.426 176.300 0.045 0.000 1.120 319 R CA 1.315 57.441 56.100 0.044 0.000 0.967 319 R CB -1.186 29.141 30.300 0.045 0.000 0.862 319 R HN 0.422 nan 8.270 nan 0.000 0.436 320 V N 0.781 120.715 119.914 0.034 0.000 2.343 320 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 320 V C 2.542 178.651 176.094 0.025 0.000 1.051 320 V CA 2.002 64.319 62.300 0.029 0.000 1.036 320 V CB -0.593 31.232 31.823 0.004 0.000 0.654 320 V HN 0.322 nan 8.190 nan 0.000 0.451 321 S N 0.415 116.125 115.700 0.016 0.000 2.353 321 S HA -0.257 4.213 4.470 -0.000 0.000 0.222 321 S C 1.991 176.614 174.600 0.039 0.000 1.035 321 S CA 2.062 60.270 58.200 0.013 0.000 1.025 321 S CB -0.326 62.877 63.200 0.007 0.000 0.902 321 S HN 0.887 nan 8.310 nan 0.000 0.440 322 E N 0.244 120.473 120.200 0.049 0.000 2.482 322 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 322 E C 1.956 178.607 176.600 0.086 0.000 1.047 322 E CA 0.405 56.842 56.400 0.062 0.000 0.869 322 E CB -0.252 29.480 29.700 0.054 0.000 0.836 322 E HN 0.480 nan 8.360 nan 0.000 0.520 323 L N 0.329 121.609 121.223 0.096 0.000 2.162 323 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 323 L C 2.257 179.244 176.870 0.195 0.000 1.086 323 L CA 0.332 55.255 54.840 0.138 0.000 0.778 323 L CB -0.064 42.076 42.059 0.134 0.000 0.928 323 L HN 0.214 nan 8.230 nan 0.000 0.446 324 L N 0.127 121.433 121.223 0.138 0.000 2.179 324 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 324 L C 2.686 179.672 176.870 0.192 0.000 1.096 324 L CA 1.468 56.383 54.840 0.125 0.000 0.779 324 L CB -1.023 41.041 42.059 0.009 0.000 0.922 324 L HN 0.420 nan 8.230 nan 0.000 0.443 325 R N 0.669 121.256 120.500 0.145 0.000 2.148 325 R HA -0.026 4.314 4.340 -0.000 0.000 0.223 325 R C -0.695 175.684 176.300 0.131 0.000 1.088 325 R CA 0.610 56.779 56.100 0.115 0.000 0.985 325 R CB -1.739 28.599 30.300 0.062 0.000 0.880 325 R HN 0.241 nan 8.270 nan 0.000 0.451 326 P HA -0.175 nan 4.420 nan 0.000 0.219 326 P C 0.466 177.798 177.300 0.052 0.000 1.146 326 P CA 1.274 64.420 63.100 0.078 0.000 0.808 326 P CB -0.102 31.630 31.700 0.053 0.000 0.779 327 Y N 0.279 120.621 120.300 0.070 0.000 2.395 327 Y HA 0.084 4.634 4.550 -0.000 0.000 0.293 327 Y C 2.813 178.755 175.900 0.070 0.000 1.123 327 Y CA 0.970 59.129 58.100 0.098 0.000 1.227 327 Y CB -1.279 37.276 38.460 0.158 0.000 1.012 327 Y HN -0.038 nan 8.280 nan 0.000 0.552 328 A N 0.131 123.067 122.820 0.193 0.000 1.898 328 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 328 A C 1.738 179.346 177.584 0.039 0.000 1.183 328 A CA 1.293 53.387 52.037 0.095 0.000 0.622 328 A CB -0.377 18.661 19.000 0.064 0.000 0.824 328 A HN 0.448 nan 8.150 nan 0.000 0.444 329 E N -0.140 120.073 120.200 0.022 0.000 2.476 329 E HA 0.120 4.470 4.350 -0.000 0.000 0.191 329 E C -0.773 175.777 176.600 -0.084 0.000 1.064 329 E CA 0.097 56.482 56.400 -0.024 0.000 0.866 329 E CB -0.066 29.625 29.700 -0.014 0.000 0.952 329 E HN 0.641 nan 8.360 nan 0.000 0.492 330 E N 0.341 120.479 120.200 -0.104 0.000 2.340 330 E HA -0.228 4.122 4.350 -0.000 0.000 0.240 330 E C -0.682 175.756 176.600 -0.271 0.000 1.154 330 E CA 0.333 56.556 56.400 -0.296 0.000 0.717 330 E CB -1.057 28.339 29.700 -0.506 0.000 1.250 330 E HN 0.193 nan 8.360 nan 0.000 0.386 331 R N -0.716 119.704 120.500 -0.134 0.000 2.701 331 R HA 0.345 4.685 4.340 -0.000 0.000 0.281 331 R C -0.555 175.661 176.300 -0.140 0.000 1.367 331 R CA -0.559 55.477 56.100 -0.105 0.000 1.510 331 R CB 0.230 30.483 30.300 -0.079 0.000 1.306 331 R HN -0.030 nan 8.270 nan 0.000 0.682 332 E N 1.164 121.234 120.200 -0.216 0.000 2.421 332 E HA 0.174 4.524 4.350 -0.000 0.000 0.253 332 E C -2.036 174.442 176.600 -0.203 0.000 1.277 332 E CA -1.825 54.335 56.400 -0.400 0.000 0.968 332 E CB 0.017 29.329 29.700 -0.647 0.000 1.040 332 E HN 0.073 nan 8.360 nan 0.000 0.512 333 P HA 0.058 nan 4.420 nan 0.000 0.248 333 P C -0.357 176.891 177.300 -0.087 0.000 1.254 333 P CA 1.243 64.279 63.100 -0.105 0.000 1.252 333 P CB -0.481 31.164 31.700 -0.091 0.000 1.465 334 G N 1.903 110.668 108.800 -0.058 0.000 2.785 334 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.685 334 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.685 334 G C 0.057 174.956 174.900 -0.002 0.000 1.480 334 G CA -0.083 45.001 45.100 -0.027 0.000 0.915 334 G HN 0.568 nan 8.290 nan 0.000 0.576 335 H N 0.578 119.602 119.070 -0.076 0.000 3.067 335 H HA 0.520 5.076 4.556 -0.000 0.000 0.241 335 H C 2.413 177.713 175.328 -0.046 0.000 0.961 335 H CA 1.423 57.428 56.048 -0.071 0.000 1.123 335 H CB 0.264 29.986 29.762 -0.067 0.000 1.448 335 H HN 0.999 nan 8.280 nan 0.000 0.457 336 A N 0.763 123.607 122.820 0.041 0.000 2.252 336 A HA 0.017 4.337 4.320 -0.000 0.000 0.207 336 A C 1.512 179.074 177.584 -0.036 0.000 1.194 336 A CA 0.836 52.875 52.037 0.003 0.000 0.809 336 A CB -0.321 18.692 19.000 0.021 0.000 0.814 336 A HN 0.641 nan 8.150 nan 0.000 0.482 337 E N -0.290 119.874 120.200 -0.061 0.000 2.216 337 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 337 E C 1.308 177.866 176.600 -0.071 0.000 0.988 337 E CA 0.700 57.064 56.400 -0.060 0.000 0.834 337 E CB 0.055 29.719 29.700 -0.060 0.000 0.772 337 E HN 0.325 nan 8.360 nan 0.000 0.479 338 R N 0.641 121.076 120.500 -0.108 0.000 2.570 338 R HA 0.185 4.525 4.340 -0.000 0.000 0.246 338 R C -0.209 176.014 176.300 -0.128 0.000 1.417 338 R CA 0.309 56.349 56.100 -0.100 0.000 1.525 338 R CB 1.027 31.274 30.300 -0.089 0.000 1.403 338 R HN 0.220 nan 8.270 nan 0.000 0.754 339 V N -1.739 118.111 119.914 -0.106 0.000 3.431 339 V HA 0.150 4.270 4.120 -0.000 0.000 0.255 339 V C 1.817 177.886 176.094 -0.042 0.000 1.403 339 V CA 0.231 62.480 62.300 -0.085 0.000 1.101 339 V CB 0.357 32.132 31.823 -0.080 0.000 0.891 339 V HN 0.212 nan 8.190 nan 0.000 0.446 340 K N 1.007 121.386 120.400 -0.035 0.000 2.459 340 K HA 0.021 4.341 4.320 -0.000 0.000 0.193 340 K C 1.031 177.617 176.600 -0.023 0.000 1.030 340 K CA 1.661 57.935 56.287 -0.022 0.000 1.026 340 K CB -0.102 32.388 32.500 -0.017 0.000 0.809 340 K HN 0.508 nan 8.250 nan 0.000 0.504 341 N N 0.645 119.327 118.700 -0.030 0.000 2.317 341 N HA -0.004 4.736 4.740 -0.000 0.000 0.199 341 N C -0.242 175.251 175.510 -0.029 0.000 1.145 341 N CA -0.328 52.706 53.050 -0.027 0.000 0.882 341 N CB 0.446 38.916 38.487 -0.028 0.000 1.113 341 N HN 0.068 nan 8.380 nan 0.000 0.486 342 R N 1.823 122.302 120.500 -0.035 0.000 2.538 342 R HA 0.019 4.359 4.340 -0.000 0.000 0.282 342 R C -1.656 174.629 176.300 -0.025 0.000 1.009 342 R CA -0.584 55.495 56.100 -0.034 0.000 1.063 342 R CB 0.346 30.621 30.300 -0.041 0.000 0.945 342 R HN 0.134 nan 8.270 nan 0.000 0.414 343 P HA -0.053 nan 4.420 nan 0.000 0.209 343 P C 0.520 177.810 177.300 -0.017 0.000 1.201 343 P CA 1.120 64.207 63.100 -0.022 0.000 0.911 343 P CB 0.144 31.826 31.700 -0.030 0.000 0.758 344 E N -1.413 118.776 120.200 -0.017 0.000 2.406 344 E HA -0.022 4.328 4.350 -0.000 0.000 0.204 344 E C 1.986 178.583 176.600 -0.006 0.000 0.820 344 E CA -0.175 56.219 56.400 -0.010 0.000 1.136 344 E CB -0.859 28.835 29.700 -0.009 0.000 1.129 344 E HN -0.053 nan 8.360 nan 0.000 0.530 345 Q N 1.376 121.170 119.800 -0.011 0.000 2.191 345 Q HA -0.365 3.975 4.340 -0.000 0.000 0.220 345 Q C 2.118 178.127 176.000 0.015 0.000 1.076 345 Q CA 3.524 59.326 55.803 -0.001 0.000 0.945 345 Q CB -0.678 28.057 28.738 -0.005 0.000 1.081 345 Q HN 0.426 nan 8.270 nan 0.000 0.460 346 A N 0.290 123.112 122.820 0.004 0.000 1.972 346 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 346 A C 1.964 179.575 177.584 0.044 0.000 1.169 346 A CA 1.582 53.627 52.037 0.012 0.000 0.635 346 A CB -0.522 18.447 19.000 -0.053 0.000 0.810 346 A HN 0.539 nan 8.150 nan 0.000 0.446 347 I N -0.710 119.878 120.570 0.030 0.000 2.676 347 I HA -0.126 4.044 4.170 -0.000 0.000 0.259 347 I C 2.497 178.632 176.117 0.030 0.000 1.194 347 I CA 1.377 62.698 61.300 0.034 0.000 1.473 347 I CB -1.342 36.671 38.000 0.022 0.000 1.096 347 I HN 0.359 nan 8.210 nan 0.000 0.443 348 A N 0.905 123.740 122.820 0.025 0.000 1.973 348 A HA 0.038 4.358 4.320 -0.000 0.000 0.210 348 A C 2.286 179.883 177.584 0.021 0.000 1.200 348 A CA 0.158 52.205 52.037 0.016 0.000 0.707 348 A CB -0.465 18.538 19.000 0.005 0.000 0.862 348 A HN 0.358 nan 8.150 nan 0.000 0.461 349 L N -0.832 120.418 121.223 0.044 0.000 2.141 349 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 349 L C 2.474 179.403 176.870 0.099 0.000 1.094 349 L CA 1.832 56.716 54.840 0.073 0.000 0.763 349 L CB -0.180 41.961 42.059 0.135 0.000 0.908 349 L HN 0.418 nan 8.230 nan 0.000 0.437 350 Q N 1.047 120.908 119.800 0.101 0.000 2.046 350 Q HA -0.245 4.095 4.340 -0.000 0.000 0.200 350 Q C 2.320 178.353 176.000 0.055 0.000 0.975 350 Q CA 2.235 58.099 55.803 0.101 0.000 0.836 350 Q CB -0.114 28.684 28.738 0.100 0.000 0.896 350 Q HN 0.727 nan 8.270 nan 0.000 0.428 351 R N -1.056 119.464 120.500 0.033 0.000 2.235 351 R HA 0.011 4.351 4.340 -0.000 0.000 0.213 351 R C 2.091 178.387 176.300 -0.007 0.000 1.059 351 R CA 1.263 57.370 56.100 0.011 0.000 0.997 351 R CB -0.217 30.088 30.300 0.008 0.000 0.884 351 R HN 0.200 nan 8.270 nan 0.000 0.462 352 M N 0.474 120.067 119.600 -0.013 0.000 2.412 352 M HA 0.226 4.706 4.480 -0.000 0.000 0.263 352 M C 2.516 178.781 176.300 -0.059 0.000 1.122 352 M CA 1.179 56.452 55.300 -0.046 0.000 1.179 352 M CB -0.082 32.479 32.600 -0.065 0.000 1.335 352 M HN 0.316 nan 8.290 nan 0.000 0.465 353 A N 0.772 123.571 122.820 -0.034 0.000 1.978 353 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 353 A C 2.313 179.890 177.584 -0.011 0.000 1.170 353 A CA 2.033 54.056 52.037 -0.023 0.000 0.636 353 A CB -0.811 18.235 19.000 0.076 0.000 0.810 353 A HN 0.500 nan 8.150 nan 0.000 0.448 354 A N -0.220 122.598 122.820 -0.003 0.000 1.930 354 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 354 A C 1.803 179.359 177.584 -0.047 0.000 1.176 354 A CA 1.810 53.838 52.037 -0.014 0.000 0.632 354 A CB -0.519 18.479 19.000 -0.003 0.000 0.819 354 A HN 0.561 nan 8.150 nan 0.000 0.445 355 D N -0.308 120.058 120.400 -0.056 0.000 2.144 355 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 355 D C 1.766 177.989 176.300 -0.128 0.000 0.978 355 D CA 1.050 55.000 54.000 -0.083 0.000 0.833 355 D CB -0.160 40.599 40.800 -0.069 0.000 0.961 355 D HN 0.379 nan 8.370 nan 0.000 0.470 356 L N -0.434 120.717 121.223 -0.120 0.000 2.109 356 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 356 L C 2.422 179.209 176.870 -0.139 0.000 1.086 356 L CA 0.490 55.244 54.840 -0.143 0.000 0.760 356 L CB -0.097 41.881 42.059 -0.134 0.000 0.910 356 L HN 0.062 nan 8.230 nan 0.000 0.437 357 V N -0.315 119.538 119.914 -0.101 0.000 2.871 357 V HA -0.205 3.915 4.120 -0.000 0.000 0.256 357 V C 2.454 178.485 176.094 -0.106 0.000 1.082 357 V CA 1.336 63.586 62.300 -0.083 0.000 1.105 357 V CB -0.175 31.625 31.823 -0.038 0.000 0.713 357 V HN 0.388 nan 8.190 nan 0.000 0.473 358 K N -0.025 120.303 120.400 -0.119 0.000 2.031 358 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 358 K C 2.317 178.807 176.600 -0.184 0.000 1.049 358 K CA 1.423 57.633 56.287 -0.127 0.000 0.939 358 K CB -0.137 32.300 32.500 -0.105 0.000 0.717 358 K HN 0.355 nan 8.250 nan 0.000 0.438 359 R N 0.553 120.879 120.500 -0.290 0.000 2.083 359 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 359 R C 2.458 178.606 176.300 -0.253 0.000 1.137 359 R CA 1.594 57.397 56.100 -0.494 0.000 0.951 359 R CB -0.386 29.455 30.300 -0.764 0.000 0.851 359 R HN 0.189 nan 8.270 nan 0.000 0.434 360 L N 0.479 121.593 121.223 -0.182 0.000 2.131 360 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 360 L C 1.780 178.585 176.870 -0.108 0.000 1.092 360 L CA 1.088 55.864 54.840 -0.108 0.000 0.759 360 L CB -0.325 41.682 42.059 -0.086 0.000 0.903 360 L HN 0.183 nan 8.230 nan 0.000 0.435 361 D N -0.634 119.667 120.400 -0.165 0.000 2.144 361 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 361 D C 2.312 178.398 176.300 -0.356 0.000 0.984 361 D CA 1.046 54.857 54.000 -0.315 0.000 0.834 361 D CB -0.020 40.561 40.800 -0.365 0.000 0.955 361 D HN 0.074 nan 8.370 nan 0.000 0.465 362 V N 1.210 121.033 119.914 -0.153 0.000 2.287 362 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 362 V C 2.548 178.661 176.094 0.033 0.000 1.053 362 V CA 1.078 63.369 62.300 -0.014 0.000 1.027 362 V CB -0.316 31.585 31.823 0.132 0.000 0.646 362 V HN 0.251 nan 8.190 nan 0.000 0.447 363 L N -0.886 120.359 121.223 0.037 0.000 2.046 363 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 363 L C 2.419 179.309 176.870 0.033 0.000 1.077 363 L CA 1.867 56.726 54.840 0.032 0.000 0.747 363 L CB -1.227 40.844 42.059 0.019 0.000 0.896 363 L HN 0.315 nan 8.230 nan 0.000 0.432 364 L N -1.063 120.176 121.223 0.027 0.000 2.093 364 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 364 L C 2.629 179.623 176.870 0.207 0.000 1.085 364 L CA 1.342 56.234 54.840 0.086 0.000 0.755 364 L CB -0.945 41.153 42.059 0.065 0.000 0.904 364 L HN 0.347 nan 8.230 nan 0.000 0.435 365 H N -0.661 118.427 119.070 0.029 0.000 2.491 365 H HA -0.016 4.540 4.556 -0.000 0.000 0.290 365 H C 1.905 177.251 175.328 0.031 0.000 1.050 365 H CA 0.661 56.727 56.048 0.030 0.000 1.309 365 H CB -0.092 29.686 29.762 0.028 0.000 1.392 365 H HN 0.197 nan 8.280 nan 0.000 0.554 366 L N -0.462 120.849 121.223 0.147 0.000 2.627 366 L HA 0.135 4.475 4.340 -0.000 0.000 0.232 366 L C 1.014 177.936 176.870 0.087 0.000 1.150 366 L CA 0.385 55.277 54.840 0.086 0.000 0.917 366 L CB 0.054 42.142 42.059 0.049 0.000 1.104 366 L HN 0.427 nan 8.230 nan 0.000 0.445 367 G N 0.194 109.061 108.800 0.111 0.000 2.176 367 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 367 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 367 G C 0.461 175.480 174.900 0.199 0.000 1.024 367 G CA 0.239 45.428 45.100 0.148 0.000 0.755 367 G HN 0.374 nan 8.290 nan 0.000 0.507 368 L N 0.063 121.321 121.223 0.060 0.000 2.818 368 L HA 0.362 4.702 4.340 -0.000 0.000 0.243 368 L C 2.213 178.928 176.870 -0.258 0.000 1.185 368 L CA 0.495 55.240 54.840 -0.157 0.000 0.988 368 L CB 0.507 42.493 42.059 -0.122 0.000 1.292 368 L HN 0.255 nan 8.230 nan 0.000 0.519 369 G N -0.676 108.093 108.800 -0.051 0.000 3.026 369 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.208 369 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.208 369 G C 0.974 175.885 174.900 0.017 0.000 1.169 369 G CA 0.097 45.188 45.100 -0.015 0.000 0.788 369 G HN 0.568 nan 8.290 nan 0.000 0.533 370 Y N -1.150 119.166 120.300 0.025 0.000 2.458 370 Y HA 0.538 5.088 4.550 -0.000 0.000 0.254 370 Y C 0.720 176.633 175.900 0.022 0.000 1.120 370 Y CA -1.132 56.982 58.100 0.023 0.000 1.282 370 Y CB -0.013 38.460 38.460 0.022 0.000 1.109 370 Y HN -0.119 nan 8.280 nan 0.000 0.526 371 L N 1.853 122.825 121.223 -0.417 0.000 2.395 371 L HA 0.528 4.868 4.340 -0.000 0.000 0.269 371 L C 0.812 177.624 176.870 -0.096 0.000 1.133 371 L CA -0.459 54.233 54.840 -0.247 0.000 0.812 371 L CB 0.952 42.804 42.059 -0.344 0.000 1.125 371 L HN 0.372 nan 8.230 nan 0.000 0.452 372 G N 1.512 110.289 108.800 -0.039 0.000 2.389 372 G HA2 0.448 4.408 3.960 -0.000 0.000 0.317 372 G HA3 0.448 4.408 3.960 -0.000 0.000 0.317 372 G C 0.727 175.612 174.900 -0.025 0.000 1.137 372 G CA -0.738 44.352 45.100 -0.017 0.000 0.870 372 G HN 0.765 nan 8.290 nan 0.000 0.496 373 L N -0.113 121.097 121.223 -0.021 0.000 2.551 373 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 373 L C 1.275 178.136 176.870 -0.015 0.000 1.153 373 L CA 0.796 55.622 54.840 -0.022 0.000 0.851 373 L CB -0.292 41.753 42.059 -0.024 0.000 0.959 373 L HN 0.481 nan 8.230 nan 0.000 0.451 374 D N 0.089 120.484 120.400 -0.008 0.000 2.339 374 D HA -0.078 4.562 4.640 -0.000 0.000 0.217 374 D C 1.124 177.425 176.300 0.001 0.000 1.050 374 D CA -0.178 53.821 54.000 -0.003 0.000 0.856 374 D CB -0.114 40.688 40.800 0.002 0.000 0.922 374 D HN 0.225 nan 8.370 nan 0.000 0.518 375 R N 0.918 121.417 120.500 -0.002 0.000 2.449 375 R HA 0.186 4.526 4.340 -0.000 0.000 0.296 375 R C -0.331 175.969 176.300 -0.000 0.000 1.047 375 R CA -0.061 56.040 56.100 0.002 0.000 1.018 375 R CB 0.198 30.496 30.300 -0.003 0.000 0.962 375 R HN -0.183 nan 8.270 nan 0.000 0.428 376 S N 2.316 118.019 115.700 0.006 0.000 2.549 376 S HA 0.019 4.489 4.470 -0.000 0.000 0.279 376 S C 1.049 175.649 174.600 0.001 0.000 1.321 376 S CA 0.070 58.272 58.200 0.004 0.000 1.054 376 S CB 1.008 64.213 63.200 0.008 0.000 0.899 376 S HN 0.819 nan 8.310 nan 0.000 0.497 377 T N 1.809 116.360 114.554 -0.005 0.000 2.867 377 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 377 T C -1.341 173.355 174.700 -0.005 0.000 1.057 377 T CA 0.686 62.782 62.100 -0.008 0.000 1.136 377 T CB -1.246 67.614 68.868 -0.014 0.000 0.874 377 T HN 0.444 nan 8.240 nan 0.000 0.466 378 P HA 0.080 nan 4.420 nan 0.000 0.241 378 P C 1.429 178.733 177.300 0.006 0.000 1.191 378 P CA 0.829 63.928 63.100 -0.002 0.000 0.771 378 P CB -0.370 31.328 31.700 -0.004 0.000 0.929 379 T N -4.028 110.533 114.554 0.011 0.000 3.129 379 T HA 0.133 4.483 4.350 -0.000 0.000 0.251 379 T C 0.500 175.217 174.700 0.028 0.000 1.117 379 T CA 0.031 62.144 62.100 0.021 0.000 1.034 379 T CB -0.446 68.437 68.868 0.026 0.000 0.968 379 T HN -0.201 nan 8.240 nan 0.000 0.526 380 L N 3.269 124.503 121.223 0.020 0.000 2.325 380 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 380 L C 0.697 177.579 176.870 0.020 0.000 1.054 380 L CA -0.697 54.158 54.840 0.025 0.000 0.804 380 L CB 1.487 43.552 42.059 0.009 0.000 1.200 380 L HN 0.417 nan 8.230 nan 0.000 0.436 381 S N 3.451 119.169 115.700 0.030 0.000 2.579 381 S HA 0.255 4.725 4.470 -0.000 0.000 0.275 381 S C -1.811 172.788 174.600 -0.002 0.000 1.345 381 S CA -0.762 57.448 58.200 0.017 0.000 1.031 381 S CB 0.411 63.626 63.200 0.025 0.000 0.892 381 S HN 0.549 nan 8.310 nan 0.000 0.529 382 P HA -0.010 nan 4.420 nan 0.000 0.217 382 P C 1.492 178.777 177.300 -0.026 0.000 1.148 382 P CA 1.642 64.727 63.100 -0.025 0.000 0.828 382 P CB -0.379 31.301 31.700 -0.032 0.000 0.783 383 G N -0.863 107.920 108.800 -0.028 0.000 2.494 383 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 383 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 383 G C 1.462 176.353 174.900 -0.015 0.000 1.140 383 G CA 0.173 45.254 45.100 -0.031 0.000 0.801 383 G HN 0.244 nan 8.290 nan 0.000 0.536 384 E N 0.088 120.289 120.200 0.001 0.000 2.028 384 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 384 E C 2.418 179.010 176.600 -0.013 0.000 0.988 384 E CA 1.230 57.638 56.400 0.014 0.000 0.799 384 E CB -0.120 29.605 29.700 0.043 0.000 0.755 384 E HN 0.450 nan 8.360 nan 0.000 0.447 385 L N -0.173 121.040 121.223 -0.017 0.000 2.291 385 L HA -0.028 4.312 4.340 -0.000 0.000 0.214 385 L C 2.096 178.945 176.870 -0.035 0.000 1.120 385 L CA 1.462 56.285 54.840 -0.028 0.000 0.799 385 L CB -0.782 41.262 42.059 -0.025 0.000 0.925 385 L HN -0.001 nan 8.230 nan 0.000 0.446 386 Q N -0.051 119.730 119.800 -0.032 0.000 2.245 386 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 386 Q C 2.326 178.297 176.000 -0.047 0.000 0.955 386 Q CA 0.763 56.544 55.803 -0.036 0.000 0.870 386 Q CB 0.158 28.881 28.738 -0.025 0.000 0.945 386 Q HN 0.555 nan 8.270 nan 0.000 0.461 387 R N -0.423 120.054 120.500 -0.040 0.000 2.100 387 R HA 0.058 4.398 4.340 -0.000 0.000 0.220 387 R C 2.086 178.354 176.300 -0.054 0.000 1.091 387 R CA 0.557 56.632 56.100 -0.041 0.000 0.986 387 R CB 0.099 30.389 30.300 -0.018 0.000 0.888 387 R HN 0.263 nan 8.270 nan 0.000 0.444 388 L N -0.233 120.958 121.223 -0.053 0.000 2.362 388 L HA -0.078 4.261 4.340 -0.000 0.000 0.219 388 L C 2.319 179.141 176.870 -0.080 0.000 1.134 388 L CA 0.902 55.707 54.840 -0.059 0.000 0.807 388 L CB -0.102 41.925 42.059 -0.052 0.000 0.927 388 L HN 0.084 nan 8.230 nan 0.000 0.447 389 R N -0.648 119.799 120.500 -0.088 0.000 2.156 389 R HA -0.025 4.315 4.340 -0.000 0.000 0.207 389 R C 2.069 178.268 176.300 -0.168 0.000 1.040 389 R CA 0.319 56.354 56.100 -0.108 0.000 1.013 389 R CB 0.025 30.280 30.300 -0.074 0.000 0.931 389 R HN 0.083 nan 8.270 nan 0.000 0.465 390 L N 0.500 121.624 121.223 -0.165 0.000 2.012 390 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 390 L C 2.093 178.827 176.870 -0.228 0.000 1.073 390 L CA 2.249 56.959 54.840 -0.218 0.000 0.748 390 L CB -0.741 41.227 42.059 -0.152 0.000 0.891 390 L HN 0.229 nan 8.230 nan 0.000 0.431 391 A N -1.881 120.839 122.820 -0.166 0.000 1.908 391 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 391 A C 2.256 179.617 177.584 -0.372 0.000 1.181 391 A CA 2.364 54.313 52.037 -0.148 0.000 0.627 391 A CB -1.198 17.777 19.000 -0.041 0.000 0.818 391 A HN 0.517 nan 8.150 nan 0.000 0.445 392 T N -0.174 114.117 114.554 -0.439 0.000 2.867 392 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 392 T C 1.978 176.237 174.700 -0.736 0.000 1.057 392 T CA 1.464 63.102 62.100 -0.770 0.000 1.136 392 T CB -0.194 68.464 68.868 -0.349 0.000 0.874 392 T HN 0.415 nan 8.240 nan 0.000 0.466 393 Q N 0.698 120.237 119.800 -0.435 0.000 2.224 393 Q HA 0.180 4.520 4.340 -0.000 0.000 0.203 393 Q C 2.203 178.044 176.000 -0.265 0.000 0.970 393 Q CA 0.734 56.354 55.803 -0.305 0.000 0.865 393 Q CB -0.578 27.908 28.738 -0.420 0.000 0.922 393 Q HN 0.472 nan 8.270 nan 0.000 0.445 394 L N 0.262 121.305 121.223 -0.300 0.000 2.551 394 L HA -0.112 4.228 4.340 -0.000 0.000 0.228 394 L C 0.615 177.485 176.870 0.001 0.000 1.153 394 L CA 0.657 55.419 54.840 -0.130 0.000 0.851 394 L CB -0.030 41.983 42.059 -0.076 0.000 0.959 394 L HN 0.323 nan 8.230 nan 0.000 0.451 395 Y N -4.424 115.866 120.300 -0.018 0.000 2.721 395 Y HA 0.293 4.843 4.550 -0.000 0.000 0.251 395 Y C 1.564 177.469 175.900 0.008 0.000 1.136 395 Y CA -0.190 57.907 58.100 -0.005 0.000 1.142 395 Y CB -0.845 37.606 38.460 -0.016 0.000 1.212 395 Y HN 0.033 nan 8.280 nan 0.000 0.565 396 S N -0.020 115.687 115.700 0.012 0.000 2.492 396 S HA 0.069 4.539 4.470 -0.000 0.000 0.218 396 S C 0.896 175.540 174.600 0.073 0.000 1.016 396 S CA 0.717 58.934 58.200 0.029 0.000 0.916 396 S CB -0.528 62.655 63.200 -0.029 0.000 0.791 396 S HN 0.693 nan 8.310 nan 0.000 0.513 397 N N -0.109 118.641 118.700 0.084 0.000 2.948 397 N HA -0.109 4.631 4.740 -0.000 0.000 0.239 397 N C -0.720 174.857 175.510 0.113 0.000 0.954 397 N CA 0.485 53.593 53.050 0.096 0.000 0.941 397 N CB -1.350 37.186 38.487 0.081 0.000 1.101 397 N HN 0.432 nan 8.380 nan 0.000 0.579 398 L N 1.094 122.380 121.223 0.106 0.000 2.490 398 L HA 0.194 4.534 4.340 -0.000 0.000 0.274 398 L C -0.004 176.954 176.870 0.147 0.000 1.201 398 L CA 0.870 55.773 54.840 0.105 0.000 0.869 398 L CB 0.157 42.260 42.059 0.073 0.000 1.123 398 L HN 0.097 nan 8.230 nan 0.000 0.484 399 F N 1.497 121.429 119.950 -0.030 0.000 2.578 399 F HA 0.549 5.076 4.527 -0.000 0.000 0.311 399 F C 0.673 176.427 175.800 -0.077 0.000 1.094 399 F CA 0.035 58.013 58.000 -0.036 0.000 0.923 399 F CB 1.872 40.858 39.000 -0.022 0.000 1.230 399 F HN 0.586 nan 8.300 nan 0.000 0.450 400 G N 3.712 112.127 108.800 -0.641 0.000 2.246 400 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.273 400 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.273 400 G C -0.703 174.034 174.900 -0.271 0.000 1.055 400 G CA 0.255 45.122 45.100 -0.388 0.000 0.851 400 G HN 1.442 nan 8.290 nan 0.000 0.500 401 V N -3.412 116.290 119.914 -0.353 0.000 3.103 401 V HA 0.910 5.030 4.120 -0.000 0.000 0.318 401 V C 0.530 176.324 176.094 -0.501 0.000 1.114 401 V CA -1.199 60.846 62.300 -0.424 0.000 1.020 401 V CB 2.224 33.733 31.823 -0.522 0.000 1.085 401 V HN 0.637 nan 8.190 nan 0.000 0.446 402 V N 1.617 121.220 119.914 -0.519 0.000 2.394 402 V HA 0.428 4.548 4.120 -0.000 0.000 0.282 402 V C -0.771 174.979 176.094 -0.573 0.000 1.031 402 V CA -0.382 61.574 62.300 -0.573 0.000 0.881 402 V CB 0.653 32.059 31.823 -0.694 0.000 0.982 402 V HN 0.805 nan 8.190 nan 0.000 0.451 403 Y N 2.790 122.918 120.300 -0.286 0.000 2.327 403 Y HA 0.509 5.059 4.550 -0.000 0.000 0.336 403 Y C 0.238 176.013 175.900 -0.208 0.000 1.035 403 Y CA -0.649 57.331 58.100 -0.200 0.000 1.165 403 Y CB 1.708 40.083 38.460 -0.142 0.000 1.181 403 Y HN 0.418 nan 8.280 nan 0.000 0.494 404 V N 6.266 126.138 119.914 -0.070 0.000 2.328 404 V HA 0.355 4.475 4.120 -0.000 0.000 0.278 404 V C -0.414 175.627 176.094 -0.089 0.000 1.021 404 V CA -0.728 61.435 62.300 -0.228 0.000 0.838 404 V CB 0.517 31.971 31.823 -0.615 0.000 0.999 404 V HN 0.536 nan 8.190 nan 0.000 0.447 405 L N 3.777 125.025 121.223 0.042 0.000 2.334 405 L HA 0.632 4.972 4.340 -0.000 0.000 0.273 405 L C -0.288 176.743 176.870 0.268 0.000 1.013 405 L CA -0.243 54.688 54.840 0.152 0.000 0.816 405 L CB 1.880 43.991 42.059 0.087 0.000 1.278 405 L HN 0.634 nan 8.230 nan 0.000 0.431 406 D N 1.978 122.521 120.400 0.238 0.000 2.438 406 D HA 0.259 4.899 4.640 -0.000 0.000 0.257 406 D C -0.918 175.422 176.300 0.067 0.000 1.148 406 D CA -0.209 53.890 54.000 0.166 0.000 0.902 406 D CB 0.393 41.203 40.800 0.016 0.000 1.062 406 D HN 0.541 nan 8.370 nan 0.000 0.518 407 E N 2.615 122.853 120.200 0.065 0.000 2.560 407 E HA -0.152 4.198 4.350 -0.000 0.000 0.158 407 E C -1.925 174.687 176.600 0.019 0.000 1.709 407 E CA -0.081 56.343 56.400 0.039 0.000 0.653 407 E CB -0.151 29.580 29.700 0.051 0.000 1.090 407 E HN 0.485 nan 8.360 nan 0.000 0.355 408 P HA -0.063 nan 4.420 nan 0.000 0.241 408 P C 0.937 178.229 177.300 -0.013 0.000 1.191 408 P CA 0.722 63.822 63.100 -0.000 0.000 0.771 408 P CB 0.324 32.025 31.700 0.002 0.000 0.929 409 S N -1.682 114.010 115.700 -0.013 0.000 2.556 409 S HA 0.367 4.837 4.470 -0.000 0.000 0.216 409 S C 1.064 175.629 174.600 -0.058 0.000 0.970 409 S CA -0.428 57.755 58.200 -0.029 0.000 0.912 409 S CB -0.644 62.543 63.200 -0.021 0.000 0.790 409 S HN 0.096 nan 8.310 nan 0.000 0.504 410 A N 1.226 124.012 122.820 -0.056 0.000 2.491 410 A HA 0.546 4.866 4.320 -0.000 0.000 0.261 410 A C 1.516 178.986 177.584 -0.189 0.000 1.101 410 A CA 0.204 52.182 52.037 -0.098 0.000 0.772 410 A CB -1.032 17.934 19.000 -0.057 0.000 1.043 410 A HN 1.488 nan 8.150 nan 0.000 0.501 411 G N 1.395 109.952 108.800 -0.405 0.000 2.176 411 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.253 411 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.253 411 G C 0.120 174.783 174.900 -0.395 0.000 0.979 411 G CA 0.251 44.917 45.100 -0.723 0.000 0.641 411 G HN 0.762 nan 8.290 nan 0.000 0.530 412 L N 0.945 122.049 121.223 -0.199 0.000 2.292 412 L HA 0.472 4.812 4.340 -0.000 0.000 0.284 412 L C 0.943 177.813 176.870 0.000 0.000 1.065 412 L CA -0.906 53.902 54.840 -0.053 0.000 0.806 412 L CB 0.953 42.989 42.059 -0.039 0.000 1.175 412 L HN 0.348 nan 8.230 nan 0.000 0.431 413 H N 5.501 124.551 119.070 -0.033 0.000 2.732 413 H HA 0.107 4.663 4.556 -0.000 0.000 0.351 413 H C -1.695 173.524 175.328 -0.182 0.000 1.090 413 H CA -0.802 55.206 56.048 -0.067 0.000 1.431 413 H CB 1.246 30.973 29.762 -0.058 0.000 1.447 413 H HN 0.319 nan 8.280 nan 0.000 0.582 414 P HA -0.152 nan 4.420 nan 0.000 0.219 414 P C 0.699 177.605 177.300 -0.657 0.000 1.146 414 P CA 1.714 64.434 63.100 -0.634 0.000 0.808 414 P CB 0.063 31.197 31.700 -0.945 0.000 0.779 415 A N -0.578 122.006 122.820 -0.394 0.000 2.172 415 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 415 A C 1.465 179.064 177.584 0.025 0.000 1.154 415 A CA 1.541 53.547 52.037 -0.052 0.000 0.701 415 A CB -0.760 18.367 19.000 0.212 0.000 0.789 415 A HN 0.080 nan 8.150 nan 0.000 0.465 416 D N -1.843 118.560 120.400 0.005 0.000 2.433 416 D HA 0.023 4.663 4.640 -0.000 0.000 0.211 416 D C 1.896 178.199 176.300 0.005 0.000 1.114 416 D CA 1.044 55.056 54.000 0.021 0.000 0.837 416 D CB 0.036 40.861 40.800 0.041 0.000 0.984 416 D HN 0.531 nan 8.370 nan 0.000 0.505 417 T N -1.278 113.263 114.554 -0.021 0.000 2.951 417 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 417 T C 1.728 176.431 174.700 0.006 0.000 1.073 417 T CA 0.950 63.041 62.100 -0.014 0.000 1.134 417 T CB 0.107 68.956 68.868 -0.033 0.000 0.884 417 T HN -0.220 nan 8.240 nan 0.000 0.479 418 E N 1.430 121.641 120.200 0.018 0.000 2.204 418 E HA 0.122 4.472 4.350 -0.000 0.000 0.195 418 E C 2.285 178.896 176.600 0.019 0.000 0.990 418 E CA 1.173 57.587 56.400 0.024 0.000 0.821 418 E CB -0.685 29.035 29.700 0.034 0.000 0.750 418 E HN 0.744 nan 8.360 nan 0.000 0.477 419 A N -0.091 122.740 122.820 0.017 0.000 1.970 419 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 419 A C 2.080 179.678 177.584 0.023 0.000 1.170 419 A CA 0.964 53.013 52.037 0.020 0.000 0.645 419 A CB -0.435 18.579 19.000 0.025 0.000 0.816 419 A HN 0.314 nan 8.150 nan 0.000 0.447 420 L N -0.320 120.913 121.223 0.016 0.000 2.027 420 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 420 L C 2.202 179.076 176.870 0.008 0.000 1.074 420 L CA 1.597 56.442 54.840 0.008 0.000 0.745 420 L CB -0.445 41.615 42.059 0.003 0.000 0.898 420 L HN 0.344 nan 8.230 nan 0.000 0.433 421 L N -0.490 120.740 121.223 0.012 0.000 2.079 421 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 421 L C 2.773 179.653 176.870 0.017 0.000 1.081 421 L CA 1.635 56.485 54.840 0.017 0.000 0.752 421 L CB -0.646 41.425 42.059 0.021 0.000 0.896 421 L HN 0.559 nan 8.230 nan 0.000 0.433 422 S N -0.408 115.304 115.700 0.019 0.000 2.406 422 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 422 S C 2.028 176.640 174.600 0.020 0.000 1.020 422 S CA 0.849 59.063 58.200 0.023 0.000 0.965 422 S CB 0.038 63.254 63.200 0.027 0.000 0.798 422 S HN 0.384 nan 8.310 nan 0.000 0.488 423 A N 1.209 124.037 122.820 0.014 0.000 2.016 423 A HA 0.298 4.618 4.320 -0.000 0.000 0.217 423 A C 2.159 179.725 177.584 -0.029 0.000 1.162 423 A CA 0.774 52.809 52.037 -0.003 0.000 0.662 423 A CB -0.535 18.459 19.000 -0.009 0.000 0.812 423 A HN 0.572 nan 8.150 nan 0.000 0.450 424 L N -0.900 120.310 121.223 -0.021 0.000 2.109 424 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 424 L C 2.561 179.426 176.870 -0.010 0.000 1.086 424 L CA 1.591 56.417 54.840 -0.024 0.000 0.760 424 L CB -0.366 41.691 42.059 -0.003 0.000 0.910 424 L HN 0.506 nan 8.230 nan 0.000 0.437 425 E N 0.647 120.849 120.200 0.004 0.000 2.106 425 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 425 E C 1.939 178.542 176.600 0.005 0.000 0.984 425 E CA 1.246 57.652 56.400 0.010 0.000 0.806 425 E CB 0.010 29.721 29.700 0.018 0.000 0.750 425 E HN 0.294 nan 8.360 nan 0.000 0.458 426 N N 0.328 119.031 118.700 0.004 0.000 2.166 426 N HA -0.122 4.617 4.740 -0.000 0.000 0.186 426 N C 1.834 177.340 175.510 -0.006 0.000 1.019 426 N CA 0.926 53.980 53.050 0.007 0.000 0.856 426 N CB -0.257 38.239 38.487 0.014 0.000 0.993 426 N HN 0.254 nan 8.380 nan 0.000 0.426 427 L N 1.243 122.447 121.223 -0.031 0.000 2.046 427 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 427 L C 2.503 179.365 176.870 -0.014 0.000 1.077 427 L CA 1.250 56.060 54.840 -0.049 0.000 0.747 427 L CB -0.278 41.703 42.059 -0.130 0.000 0.896 427 L HN 0.202 nan 8.230 nan 0.000 0.432 428 K N 0.174 120.566 120.400 -0.014 0.000 1.991 428 K HA -0.211 4.109 4.320 -0.000 0.000 0.212 428 K C 2.054 178.633 176.600 -0.034 0.000 1.049 428 K CA 1.462 57.737 56.287 -0.021 0.000 0.932 428 K CB -0.061 32.433 32.500 -0.010 0.000 0.717 428 K HN 0.205 nan 8.250 nan 0.000 0.441 429 R N -0.425 120.067 120.500 -0.013 0.000 2.341 429 R HA -0.068 4.272 4.340 -0.000 0.000 0.213 429 R C 1.882 178.187 176.300 0.009 0.000 1.082 429 R CA 0.827 56.926 56.100 -0.002 0.000 1.017 429 R CB -0.143 30.166 30.300 0.013 0.000 0.860 429 R HN 0.352 nan 8.270 nan 0.000 0.473 430 G N -0.424 108.376 108.800 0.001 0.000 2.920 430 G HA2 0.127 4.087 3.960 -0.000 0.000 0.208 430 G HA3 0.127 4.087 3.960 -0.000 0.000 0.208 430 G C 0.836 175.711 174.900 -0.042 0.000 1.159 430 G CA 0.484 45.603 45.100 0.031 0.000 0.784 430 G HN 0.429 nan 8.290 nan 0.000 0.535 431 G N -0.571 108.113 108.800 -0.193 0.000 2.154 431 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.186 431 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.186 431 G C 0.024 174.569 174.900 -0.590 0.000 1.000 431 G CA -0.203 44.559 45.100 -0.563 0.000 0.664 431 G HN 0.444 nan 8.290 nan 0.000 0.513 432 N N 0.068 118.587 118.700 -0.301 0.000 2.483 432 N HA 0.718 5.458 4.740 -0.000 0.000 0.285 432 N C -0.490 174.918 175.510 -0.171 0.000 1.210 432 N CA -0.178 52.733 53.050 -0.231 0.000 0.931 432 N CB 1.656 40.119 38.487 -0.041 0.000 1.220 432 N HN 0.137 nan 8.380 nan 0.000 0.542 433 S N 0.304 115.884 115.700 -0.201 0.000 2.532 433 S HA 0.626 5.096 4.470 -0.000 0.000 0.301 433 S C -0.441 174.053 174.600 -0.177 0.000 1.083 433 S CA -0.710 57.374 58.200 -0.194 0.000 1.025 433 S CB 1.230 64.250 63.200 -0.301 0.000 1.056 433 S HN 0.289 nan 8.310 nan 0.000 0.494 434 L N 2.878 124.073 121.223 -0.046 0.000 2.349 434 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 434 L C -1.443 175.611 176.870 0.306 0.000 0.996 434 L CA -0.459 54.418 54.840 0.062 0.000 0.825 434 L CB 0.872 42.988 42.059 0.095 0.000 1.243 434 L HN 0.494 nan 8.230 nan 0.000 0.412 435 F N 3.363 123.376 119.950 0.106 0.000 2.388 435 F HA 0.533 5.060 4.527 -0.000 0.000 0.358 435 F C 0.032 175.926 175.800 0.156 0.000 1.122 435 F CA -1.252 56.883 58.000 0.225 0.000 1.056 435 F CB 1.725 40.799 39.000 0.123 0.000 1.155 435 F HN -0.016 nan 8.300 nan 0.000 0.461 436 V N 4.666 124.855 119.914 0.458 0.000 2.409 436 V HA 0.304 4.424 4.120 -0.000 0.000 0.290 436 V C -0.465 175.815 176.094 0.309 0.000 1.017 436 V CA -1.044 61.425 62.300 0.281 0.000 0.841 436 V CB 1.971 33.906 31.823 0.187 0.000 1.003 436 V HN 0.488 nan 8.190 nan 0.000 0.426 437 V N 4.173 124.228 119.914 0.234 0.000 2.432 437 V HA 0.782 4.902 4.120 -0.000 0.000 0.271 437 V C -0.386 175.730 176.094 0.036 0.000 1.046 437 V CA 0.440 62.835 62.300 0.159 0.000 0.945 437 V CB 1.332 33.241 31.823 0.143 0.000 0.992 437 V HN 1.001 nan 8.190 nan 0.000 0.471 438 E N 3.515 123.680 120.200 -0.059 0.000 2.356 438 E HA 0.483 4.833 4.350 -0.000 0.000 0.275 438 E C -0.517 175.924 176.600 -0.266 0.000 0.904 438 E CA -0.404 55.935 56.400 -0.102 0.000 0.757 438 E CB 2.014 31.711 29.700 -0.005 0.000 1.232 438 E HN 0.794 nan 8.360 nan 0.000 0.442 439 H N 0.302 119.378 119.070 0.011 0.000 2.855 439 H HA 0.223 4.779 4.556 -0.000 0.000 0.259 439 H C -0.329 174.939 175.328 -0.100 0.000 0.972 439 H CA -0.100 55.919 56.048 -0.048 0.000 1.213 439 H CB 0.655 30.376 29.762 -0.067 0.000 1.451 439 H HN 0.348 nan 8.280 nan 0.000 0.484 440 D N 1.398 121.817 120.400 0.031 0.000 2.451 440 D HA -0.065 4.575 4.640 -0.000 0.000 0.254 440 D C 1.137 177.416 176.300 -0.034 0.000 1.204 440 D CA 0.247 54.237 54.000 -0.016 0.000 0.896 440 D CB 0.842 41.633 40.800 -0.015 0.000 1.136 440 D HN 0.332 nan 8.370 nan 0.000 0.499 441 L N 3.168 124.357 121.223 -0.057 0.000 2.201 441 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 441 L C 1.950 178.793 176.870 -0.044 0.000 1.105 441 L CA 0.592 55.392 54.840 -0.065 0.000 0.775 441 L CB -0.119 41.895 42.059 -0.075 0.000 0.913 441 L HN 0.423 nan 8.230 nan 0.000 0.440 442 D N -0.252 120.132 120.400 -0.026 0.000 2.178 442 D HA -0.128 4.511 4.640 -0.000 0.000 0.202 442 D C 2.183 178.483 176.300 -0.000 0.000 0.974 442 D CA 1.192 55.187 54.000 -0.007 0.000 0.841 442 D CB 0.377 41.174 40.800 -0.005 0.000 0.953 442 D HN 0.165 nan 8.370 nan 0.000 0.478 443 V N 1.224 121.136 119.914 -0.003 0.000 2.331 443 V HA -0.157 3.963 4.120 -0.000 0.000 0.242 443 V C 2.555 178.656 176.094 0.013 0.000 1.034 443 V CA 0.673 62.978 62.300 0.009 0.000 1.027 443 V CB -0.300 31.530 31.823 0.012 0.000 0.667 443 V HN 0.113 nan 8.190 nan 0.000 0.457 444 I N 0.122 120.691 120.570 -0.000 0.000 2.143 444 I HA -0.400 3.770 4.170 -0.000 0.000 0.245 444 I C 2.720 178.838 176.117 0.002 0.000 1.068 444 I CA 2.181 63.478 61.300 -0.004 0.000 1.326 444 I CB -0.493 37.490 38.000 -0.029 0.000 1.028 444 I HN 0.211 nan 8.210 nan 0.000 0.412 445 R N 0.427 120.920 120.500 -0.011 0.000 2.152 445 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 445 R C 1.948 178.274 176.300 0.043 0.000 1.117 445 R CA 1.059 57.164 56.100 0.009 0.000 0.981 445 R CB 0.060 30.358 30.300 -0.003 0.000 0.870 445 R HN 0.267 nan 8.270 nan 0.000 0.451 446 R N -0.522 120.001 120.500 0.039 0.000 2.362 446 R HA 0.232 4.572 4.340 -0.000 0.000 0.227 446 R C 0.034 176.369 176.300 0.059 0.000 0.905 446 R CA 0.225 56.354 56.100 0.049 0.000 1.067 446 R CB 0.741 31.065 30.300 0.041 0.000 1.078 446 R HN 0.059 nan 8.270 nan 0.000 0.516 447 A N 1.266 124.125 122.820 0.064 0.000 2.407 447 A HA 0.085 4.405 4.320 -0.000 0.000 0.248 447 A C 0.608 178.256 177.584 0.107 0.000 1.082 447 A CA -0.282 51.803 52.037 0.081 0.000 0.785 447 A CB 0.474 19.519 19.000 0.075 0.000 1.020 447 A HN 0.043 nan 8.150 nan 0.000 0.489 448 D N 0.037 120.515 120.400 0.131 0.000 2.144 448 D HA -0.038 4.602 4.640 -0.000 0.000 0.200 448 D C 0.139 176.607 176.300 0.279 0.000 0.978 448 D CA 1.304 55.406 54.000 0.170 0.000 0.833 448 D CB 0.213 41.099 40.800 0.142 0.000 0.961 448 D HN 0.652 nan 8.370 nan 0.000 0.470 449 W N 0.557 121.863 121.300 0.009 0.000 3.167 449 W HA 0.419 5.079 4.660 -0.000 0.000 0.324 449 W C -1.912 174.569 176.519 -0.063 0.000 1.230 449 W CA -0.844 56.493 57.345 -0.014 0.000 1.184 449 W CB 1.605 31.043 29.460 -0.036 0.000 1.414 449 W HN -0.231 nan 8.180 nan 0.000 0.551 450 L N 2.915 123.991 121.223 -0.245 0.000 2.445 450 L HA 0.761 5.101 4.340 -0.000 0.000 0.262 450 L C -1.925 174.768 176.870 -0.296 0.000 0.974 450 L CA -0.793 53.938 54.840 -0.182 0.000 0.822 450 L CB 1.602 43.635 42.059 -0.044 0.000 1.339 450 L HN 0.031 nan 8.230 nan 0.000 0.409 451 V N 2.287 122.028 119.914 -0.287 0.000 2.313 451 V HA 0.440 4.560 4.120 -0.000 0.000 0.278 451 V C -0.780 175.286 176.094 -0.046 0.000 1.017 451 V CA -0.188 61.985 62.300 -0.212 0.000 0.823 451 V CB 0.906 32.529 31.823 -0.335 0.000 1.010 451 V HN 0.862 nan 8.190 nan 0.000 0.443 452 D N 3.739 124.158 120.400 0.032 0.000 2.274 452 D HA 0.509 5.149 4.640 -0.000 0.000 0.239 452 D C -0.576 175.762 176.300 0.064 0.000 1.104 452 D CA 0.025 54.067 54.000 0.069 0.000 0.840 452 D CB 1.746 42.605 40.800 0.097 0.000 1.100 452 D HN 0.306 nan 8.370 nan 0.000 0.477 453 V N 3.424 123.374 119.914 0.059 0.000 2.435 453 V HA 0.786 4.906 4.120 -0.000 0.000 0.290 453 V C 0.712 176.815 176.094 0.015 0.000 1.030 453 V CA -0.104 62.226 62.300 0.051 0.000 0.881 453 V CB 0.950 32.818 31.823 0.075 0.000 0.983 453 V HN 0.891 nan 8.190 nan 0.000 0.445 454 G N 6.678 115.486 108.800 0.013 0.000 2.797 454 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 454 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 454 G C -2.107 172.784 174.900 -0.016 0.000 1.452 454 G CA -0.233 44.864 45.100 -0.005 0.000 0.986 454 G HN 0.592 nan 8.290 nan 0.000 0.595 455 P HA 0.007 nan 4.420 nan 0.000 0.213 455 P C 0.928 178.205 177.300 -0.039 0.000 1.170 455 P CA 1.712 64.802 63.100 -0.016 0.000 0.889 455 P CB 0.202 31.900 31.700 -0.004 0.000 0.782 456 E N -1.328 118.848 120.200 -0.039 0.000 2.604 456 E HA 0.631 4.981 4.350 -0.000 0.000 0.201 456 E C -0.618 175.929 176.600 -0.088 0.000 0.728 456 E CA -1.159 55.209 56.400 -0.055 0.000 1.030 456 E CB 0.565 30.249 29.700 -0.026 0.000 1.759 456 E HN -0.137 nan 8.360 nan 0.000 0.377 457 A N 0.025 122.782 122.820 -0.104 0.000 2.312 457 A HA 0.660 4.980 4.320 -0.000 0.000 0.328 457 A C 0.510 178.010 177.584 -0.139 0.000 1.158 457 A CA 0.335 52.240 52.037 -0.221 0.000 0.821 457 A CB 0.410 19.195 19.000 -0.359 0.000 1.170 457 A HN 0.710 nan 8.150 nan 0.000 0.490 458 G N 1.225 109.918 108.800 -0.177 0.000 2.531 458 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.274 458 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.274 458 G C 0.663 175.576 174.900 0.020 0.000 1.159 458 G CA 0.541 45.633 45.100 -0.014 0.000 0.969 458 G HN 0.870 nan 8.290 nan 0.000 0.554 459 E N 0.896 121.127 120.200 0.052 0.000 2.333 459 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 459 E C 1.883 178.501 176.600 0.030 0.000 1.007 459 E CA 1.187 57.615 56.400 0.046 0.000 0.845 459 E CB -0.031 29.702 29.700 0.054 0.000 0.766 459 E HN 0.516 nan 8.360 nan 0.000 0.507 460 K N 0.624 121.036 120.400 0.021 0.000 2.397 460 K HA 0.138 4.458 4.320 -0.000 0.000 0.202 460 K C 0.572 177.170 176.600 -0.003 0.000 1.022 460 K CA -0.110 56.184 56.287 0.012 0.000 1.141 460 K CB 1.164 33.672 32.500 0.014 0.000 0.857 460 K HN 0.041 nan 8.250 nan 0.000 0.514 461 G N -1.066 107.729 108.800 -0.009 0.000 3.252 461 G HA2 0.444 4.404 3.960 -0.000 0.000 0.181 461 G HA3 0.444 4.404 3.960 -0.000 0.000 0.181 461 G C 0.268 175.168 174.900 0.000 0.000 1.187 461 G CA -0.035 45.055 45.100 -0.017 0.000 0.886 461 G HN 0.055 nan 8.290 nan 0.000 0.615 462 G N -0.694 108.107 108.800 0.002 0.000 2.143 462 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.248 462 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.248 462 G C 0.181 175.096 174.900 0.026 0.000 0.991 462 G CA 0.989 46.101 45.100 0.020 0.000 0.689 462 G HN 1.004 nan 8.290 nan 0.000 0.522 463 E N -0.345 119.869 120.200 0.023 0.000 2.320 463 E HA 0.732 5.082 4.350 -0.000 0.000 0.264 463 E C -0.523 176.097 176.600 0.033 0.000 0.923 463 E CA -1.453 54.963 56.400 0.027 0.000 0.796 463 E CB 1.691 31.405 29.700 0.023 0.000 1.262 463 E HN 0.015 nan 8.360 nan 0.000 0.428 464 I N 2.658 123.248 120.570 0.035 0.000 2.304 464 I HA 0.083 4.253 4.170 -0.000 0.000 0.291 464 I C 1.174 177.318 176.117 0.044 0.000 1.018 464 I CA -0.331 60.992 61.300 0.039 0.000 1.260 464 I CB 0.547 38.565 38.000 0.030 0.000 1.390 464 I HN 0.653 nan 8.210 nan 0.000 0.475 465 L N 6.194 127.453 121.223 0.061 0.000 2.209 465 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 465 L C -0.042 176.921 176.870 0.154 0.000 1.094 465 L CA 0.789 55.679 54.840 0.083 0.000 0.790 465 L CB -0.126 41.977 42.059 0.073 0.000 0.932 465 L HN 0.491 nan 8.230 nan 0.000 0.447 466 Y N -0.721 119.556 120.300 -0.039 0.000 2.480 466 Y HA 0.410 4.960 4.550 -0.000 0.000 0.329 466 Y C -1.063 174.764 175.900 -0.121 0.000 1.127 466 Y CA -1.239 56.813 58.100 -0.080 0.000 1.037 466 Y CB 1.931 40.338 38.460 -0.088 0.000 1.320 466 Y HN -0.262 nan 8.280 nan 0.000 0.446 467 S N 3.902 119.126 115.700 -0.794 0.000 2.774 467 S HA 0.869 5.339 4.470 -0.000 0.000 0.297 467 S C -0.627 173.046 174.600 -1.545 0.000 1.143 467 S CA 0.406 58.127 58.200 -0.799 0.000 1.090 467 S CB 0.268 63.394 63.200 -0.124 0.000 1.019 467 S HN 1.457 nan 8.310 nan 0.000 0.482 468 G N 4.221 111.628 108.800 -2.321 0.000 2.342 468 G HA2 0.466 4.426 3.960 -0.000 0.000 0.297 468 G HA3 0.466 4.426 3.960 -0.000 0.000 0.297 468 G C -3.597 170.553 174.900 -1.250 0.000 1.313 468 G CA -0.765 42.949 45.100 -2.310 0.000 0.830 468 G HN 0.437 nan 8.290 nan 0.000 0.506 469 P HA 0.179 nan 4.420 nan 0.000 0.266 469 P C -1.833 175.521 177.300 0.089 0.000 1.193 469 P CA -0.654 62.414 63.100 -0.053 0.000 0.770 469 P CB 0.528 32.264 31.700 0.060 0.000 0.836 470 P HA -0.224 nan 4.420 nan 0.000 0.216 470 P C 1.261 178.657 177.300 0.160 0.000 1.154 470 P CA 1.601 64.790 63.100 0.148 0.000 0.865 470 P CB -0.160 31.627 31.700 0.145 0.000 0.789 471 E N -1.068 119.180 120.200 0.080 0.000 2.265 471 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 471 E C 2.054 178.491 176.600 -0.272 0.000 0.996 471 E CA 1.320 57.657 56.400 -0.105 0.000 0.832 471 E CB -0.832 28.823 29.700 -0.077 0.000 0.756 471 E HN 0.310 nan 8.360 nan 0.000 0.491 472 G N 0.545 109.256 108.800 -0.148 0.000 2.813 472 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.209 472 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.209 472 G C 1.422 175.938 174.900 -0.640 0.000 1.150 472 G CA -0.195 44.800 45.100 -0.175 0.000 0.785 472 G HN 0.155 nan 8.290 nan 0.000 0.535 473 L N 0.565 121.332 121.223 -0.761 0.000 2.376 473 L HA 0.220 4.560 4.340 -0.000 0.000 0.219 473 L C 2.416 179.109 176.870 -0.296 0.000 1.133 473 L CA 1.254 55.695 54.840 -0.666 0.000 0.816 473 L CB -0.157 41.743 42.059 -0.265 0.000 0.933 473 L HN 0.216 nan 8.230 nan 0.000 0.449 474 K N -1.499 118.617 120.400 -0.472 0.000 2.442 474 K HA -0.141 4.179 4.320 -0.000 0.000 0.198 474 K C 0.796 177.066 176.600 -0.551 0.000 1.042 474 K CA 1.281 57.199 56.287 -0.616 0.000 0.958 474 K CB -0.107 31.706 32.500 -1.145 0.000 0.766 474 K HN 0.568 nan 8.250 nan 0.000 0.474 475 H N -1.237 117.703 119.070 -0.216 0.000 2.672 475 H HA 0.136 4.692 4.556 0.000 0.000 0.277 475 H C -0.808 174.455 175.328 -0.107 0.000 1.074 475 H CA -0.272 55.690 56.048 -0.143 0.000 1.173 475 H CB 1.368 31.054 29.762 -0.127 0.000 1.558 475 H HN -0.006 nan 8.280 nan 0.000 0.539 476 V N 1.491 121.376 119.914 -0.048 0.000 2.325 476 V HA 0.313 4.433 4.120 -0.000 0.000 0.280 476 V C -2.409 173.675 176.094 -0.017 0.000 1.016 476 V CA -2.132 60.154 62.300 -0.023 0.000 0.818 476 V CB 1.961 33.771 31.823 -0.021 0.000 1.019 476 V HN 0.009 nan 8.190 nan 0.000 0.434 477 P HA 0.045 nan 4.420 nan 0.000 0.240 477 P C 1.083 178.386 177.300 0.005 0.000 1.190 477 P CA 0.718 63.818 63.100 -0.001 0.000 0.781 477 P CB 0.292 31.992 31.700 -0.000 0.000 0.931 478 E N -0.430 119.775 120.200 0.009 0.000 2.427 478 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 478 E C 0.450 177.059 176.600 0.015 0.000 1.028 478 E CA 0.143 56.551 56.400 0.012 0.000 0.864 478 E CB -0.251 29.458 29.700 0.014 0.000 0.813 478 E HN 0.028 nan 8.360 nan 0.000 0.514 479 S N 0.749 116.460 115.700 0.018 0.000 2.439 479 S HA 0.075 4.545 4.470 -0.000 0.000 0.282 479 S C 0.699 175.331 174.600 0.053 0.000 1.170 479 S CA -0.522 57.694 58.200 0.027 0.000 1.054 479 S CB 1.341 64.554 63.200 0.021 0.000 0.956 479 S HN 0.243 nan 8.310 nan 0.000 0.490 480 Q N 2.916 122.755 119.800 0.065 0.000 2.311 480 Q HA -0.040 4.300 4.340 -0.000 0.000 0.203 480 Q C 1.709 177.912 176.000 0.338 0.000 0.954 480 Q CA 1.354 57.260 55.803 0.171 0.000 0.885 480 Q CB -0.149 28.669 28.738 0.134 0.000 0.963 480 Q HN 0.799 nan 8.270 nan 0.000 0.471 481 T N 0.288 114.992 114.554 0.250 0.000 2.708 481 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 481 T C 1.893 176.647 174.700 0.091 0.000 1.037 481 T CA 1.354 63.607 62.100 0.255 0.000 1.146 481 T CB -0.595 68.381 68.868 0.180 0.000 0.865 481 T HN 0.532 nan 8.240 nan 0.000 0.435 482 G N 0.722 109.555 108.800 0.055 0.000 2.470 482 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 482 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 482 G C 1.496 176.417 174.900 0.035 0.000 1.121 482 G CA 0.500 45.623 45.100 0.038 0.000 0.766 482 G HN 0.488 nan 8.290 nan 0.000 0.553 483 Q N -1.041 118.783 119.800 0.040 0.000 2.096 483 Q HA 0.013 4.353 4.340 -0.000 0.000 0.197 483 Q C 2.190 178.094 176.000 -0.160 0.000 0.964 483 Q CA 0.869 56.641 55.803 -0.052 0.000 0.838 483 Q CB -0.142 28.549 28.738 -0.078 0.000 0.906 483 Q HN 0.614 nan 8.270 nan 0.000 0.444 484 Y N -0.010 120.253 120.300 -0.061 0.000 2.242 484 Y HA -0.193 4.357 4.550 -0.000 0.000 0.291 484 Y C 1.994 177.791 175.900 -0.173 0.000 1.137 484 Y CA 0.753 58.796 58.100 -0.096 0.000 1.181 484 Y CB 0.019 38.426 38.460 -0.088 0.000 0.989 484 Y HN 0.111 nan 8.280 nan 0.000 0.527 485 L N -2.016 119.111 121.223 -0.160 0.000 2.131 485 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 485 L C 0.993 177.492 176.870 -0.619 0.000 1.087 485 L CA 1.883 56.416 54.840 -0.511 0.000 0.767 485 L CB -0.271 41.277 42.059 -0.853 0.000 0.917 485 L HN 0.112 nan 8.230 nan 0.000 0.441 486 F N -2.833 117.085 119.950 -0.052 0.000 2.834 486 F HA 0.407 4.934 4.527 0.000 0.000 0.332 486 F C 1.770 177.508 175.800 -0.102 0.000 1.056 486 F CA 0.193 58.144 58.000 -0.083 0.000 1.178 486 F CB -0.564 38.369 39.000 -0.112 0.000 1.037 486 F HN -0.061 nan 8.300 nan 0.000 0.580 487 A N -0.888 121.942 122.820 0.017 0.000 2.390 487 A HA 0.322 4.642 4.320 -0.000 0.000 0.232 487 A C 0.124 177.614 177.584 -0.157 0.000 1.233 487 A CA 0.510 52.512 52.037 -0.059 0.000 0.907 487 A CB -0.144 18.816 19.000 -0.067 0.000 0.967 487 A HN 0.148 nan 8.150 nan 0.000 0.512 488 D N 0.050 120.326 120.400 -0.207 0.000 2.778 488 D HA -0.124 4.516 4.640 -0.000 0.000 0.246 488 D C -0.372 175.612 176.300 -0.526 0.000 1.107 488 D CA 0.433 54.227 54.000 -0.342 0.000 0.732 488 D CB -1.229 39.388 40.800 -0.304 0.000 1.055 488 D HN 0.459 nan 8.370 nan 0.000 0.429 489 R N 1.670 121.832 120.500 -0.563 0.000 2.291 489 R HA 0.222 4.562 4.340 -0.000 0.000 0.333 489 R C 0.141 176.215 176.300 -0.377 0.000 1.082 489 R CA 0.051 55.774 56.100 -0.628 0.000 0.948 489 R CB 0.277 29.874 30.300 -1.172 0.000 1.009 489 R HN 0.470 nan 8.270 nan 0.000 0.460 490 H N -0.151 118.845 119.070 -0.124 0.000 2.567 490 H HA 0.255 4.811 4.556 -0.000 0.000 0.345 490 H C 0.066 175.396 175.328 0.003 0.000 1.169 490 H CA -0.887 55.148 56.048 -0.021 0.000 1.227 490 H CB 1.733 31.489 29.762 -0.009 0.000 1.607 490 H HN 0.428 nan 8.280 nan 0.000 0.534 491 T N 0.445 115.109 114.554 0.185 0.000 2.767 491 T HA 0.167 4.517 4.350 -0.000 0.000 0.284 491 T C 0.189 174.947 174.700 0.098 0.000 0.973 491 T CA -1.191 60.980 62.100 0.118 0.000 0.996 491 T CB 1.336 70.260 68.868 0.094 0.000 0.927 491 T HN 0.424 nan 8.240 nan 0.000 0.456 492 E N 2.864 123.113 120.200 0.082 0.000 2.422 492 E HA 0.186 4.536 4.350 -0.000 0.000 0.260 492 E C -1.759 174.863 176.600 0.036 0.000 1.108 492 E CA -1.310 55.120 56.400 0.050 0.000 0.943 492 E CB -0.034 29.695 29.700 0.049 0.000 0.961 492 E HN 0.516 nan 8.360 nan 0.000 0.443 493 P HA -0.074 nan 4.420 nan 0.000 0.270 493 P C -0.560 176.788 177.300 0.080 0.000 1.216 493 P CA 0.694 63.810 63.100 0.025 0.000 0.788 493 P CB 0.267 31.965 31.700 -0.003 0.000 0.883 494 H N -0.700 118.365 119.070 -0.008 0.000 2.589 494 H HA 0.380 4.936 4.556 -0.000 0.000 0.335 494 H C -0.801 174.532 175.328 0.008 0.000 1.019 494 H CA -0.448 55.602 56.048 0.004 0.000 1.213 494 H CB 0.571 30.337 29.762 0.006 0.000 1.472 494 H HN 0.135 nan 8.280 nan 0.000 0.508 495 T N 8.144 122.409 114.554 -0.481 0.000 2.761 495 T HA 0.198 4.548 4.350 -0.000 0.000 0.296 495 T C -2.414 171.991 174.700 -0.491 0.000 0.934 495 T CA -1.218 60.674 62.100 -0.347 0.000 1.091 495 T CB 0.708 69.459 68.868 -0.194 0.000 0.896 495 T HN 0.545 nan 8.240 nan 0.000 0.515 496 P HA 0.183 nan 4.420 nan 0.000 0.267 496 P C 0.035 177.333 177.300 -0.003 0.000 1.205 496 P CA -0.261 62.836 63.100 -0.006 0.000 0.765 496 P CB 0.517 32.277 31.700 0.101 0.000 0.828 497 R N 1.762 122.290 120.500 0.047 0.000 2.490 497 R HA 0.261 4.601 4.340 -0.000 0.000 0.278 497 R C 0.357 176.679 176.300 0.037 0.000 1.069 497 R CA -0.619 55.499 56.100 0.031 0.000 1.080 497 R CB 0.438 30.764 30.300 0.043 0.000 1.030 497 R HN 0.422 nan 8.270 nan 0.000 0.491 498 E N 3.042 123.250 120.200 0.013 0.000 2.316 498 E HA 0.129 4.479 4.350 -0.000 0.000 0.275 498 E C -2.185 174.372 176.600 -0.071 0.000 1.029 498 E CA -1.796 54.603 56.400 -0.001 0.000 0.871 498 E CB 0.558 30.264 29.700 0.011 0.000 1.022 498 E HN 0.181 nan 8.360 nan 0.000 0.418 499 P HA -0.055 nan 4.420 nan 0.000 0.266 499 P C -0.642 176.521 177.300 -0.230 0.000 1.186 499 P CA 0.378 63.271 63.100 -0.344 0.000 0.767 499 P CB 0.913 32.211 31.700 -0.669 0.000 0.820 500 A N 1.988 124.664 122.820 -0.241 0.000 2.063 500 A HA 0.504 4.824 4.320 -0.000 0.000 0.211 500 A C 0.988 178.487 177.584 -0.143 0.000 1.177 500 A CA 1.451 53.404 52.037 -0.141 0.000 0.759 500 A CB -0.261 18.680 19.000 -0.099 0.000 0.857 500 A HN 0.651 nan 8.150 nan 0.000 0.468 501 G N -2.896 105.743 108.800 -0.268 0.000 2.554 501 G HA2 0.465 4.425 3.960 -0.000 0.000 0.306 501 G HA3 0.465 4.425 3.960 -0.000 0.000 0.306 501 G C -2.149 172.502 174.900 -0.415 0.000 1.320 501 G CA -0.698 44.293 45.100 -0.183 0.000 0.800 501 G HN 0.231 nan 8.290 nan 0.000 0.481 502 W N 0.097 121.365 121.300 -0.053 0.000 2.900 502 W HA 0.612 5.272 4.660 -0.000 0.000 0.336 502 W C -0.485 176.020 176.519 -0.024 0.000 1.064 502 W CA -0.660 56.647 57.345 -0.063 0.000 1.237 502 W CB 2.107 31.511 29.460 -0.093 0.000 1.391 502 W HN 0.303 nan 8.180 nan 0.000 0.468 503 L N 3.945 125.306 121.223 0.231 0.000 2.275 503 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 503 L C -0.232 176.774 176.870 0.228 0.000 1.046 503 L CA -0.308 54.644 54.840 0.185 0.000 0.805 503 L CB 1.148 43.309 42.059 0.169 0.000 1.193 503 L HN 0.541 nan 8.230 nan 0.000 0.426 504 E N 5.913 126.195 120.200 0.136 0.000 2.133 504 E HA 0.331 4.681 4.350 -0.000 0.000 0.274 504 E C -0.809 175.849 176.600 0.097 0.000 0.930 504 E CA -0.433 56.024 56.400 0.095 0.000 0.770 504 E CB 2.536 32.259 29.700 0.038 0.000 1.104 504 E HN 0.478 nan 8.360 nan 0.000 0.403 505 L N 4.467 125.764 121.223 0.124 0.000 2.301 505 L HA 0.345 4.685 4.340 -0.000 0.000 0.278 505 L C -0.975 175.930 176.870 0.059 0.000 1.022 505 L CA -0.517 54.397 54.840 0.122 0.000 0.854 505 L CB 0.428 42.643 42.059 0.260 0.000 1.226 505 L HN 0.496 nan 8.230 nan 0.000 0.429 506 N N 2.654 121.373 118.700 0.032 0.000 2.417 506 N HA 0.400 5.140 4.740 -0.000 0.000 0.300 506 N C 0.543 176.061 175.510 0.015 0.000 1.102 506 N CA 0.150 53.208 53.050 0.013 0.000 0.886 506 N CB 2.072 40.560 38.487 0.002 0.000 1.203 506 N HN 0.697 nan 8.380 nan 0.000 0.496 507 G N 0.126 108.932 108.800 0.010 0.000 2.272 507 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.280 507 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.280 507 G C -0.236 174.674 174.900 0.017 0.000 1.067 507 G CA -0.179 44.927 45.100 0.010 0.000 0.902 507 G HN 0.407 nan 8.290 nan 0.000 0.500 508 V N 1.498 121.426 119.914 0.023 0.000 2.326 508 V HA 0.334 4.454 4.120 -0.000 0.000 0.249 508 V C 0.936 177.046 176.094 0.026 0.000 1.114 508 V CA 0.525 62.844 62.300 0.032 0.000 1.028 508 V CB 0.437 32.288 31.823 0.048 0.000 1.170 508 V HN 0.419 nan 8.190 nan 0.000 0.494 509 T N 5.943 120.511 114.554 0.023 0.000 2.767 509 T HA 0.752 5.102 4.350 -0.000 0.000 0.284 509 T C -0.052 174.663 174.700 0.025 0.000 0.973 509 T CA -0.536 61.577 62.100 0.022 0.000 0.996 509 T CB 0.967 69.845 68.868 0.017 0.000 0.927 509 T HN 0.702 nan 8.240 nan 0.000 0.456 510 R N 3.131 123.647 120.500 0.027 0.000 4.828 510 R HA 0.163 4.503 4.340 -0.000 0.000 0.253 510 R C -0.100 176.219 176.300 0.032 0.000 1.005 510 R CA -0.320 55.798 56.100 0.030 0.000 1.405 510 R CB 0.056 30.376 30.300 0.033 0.000 1.224 510 R HN 0.664 nan 8.270 nan 0.000 0.617 511 N N 1.789 120.510 118.700 0.034 0.000 1.758 511 N HA -0.366 4.374 4.740 -0.000 0.000 0.152 511 N C 0.347 175.879 175.510 0.036 0.000 0.558 511 N CA 2.186 55.260 53.050 0.039 0.000 1.229 511 N CB -1.060 37.455 38.487 0.046 0.000 1.337 511 N HN 0.862 nan 8.380 nan 0.000 0.432 512 N N 2.311 121.032 118.700 0.034 0.000 2.336 512 N HA 0.063 4.803 4.740 -0.000 0.000 0.189 512 N C -0.194 175.328 175.510 0.020 0.000 1.113 512 N CA 0.210 53.276 53.050 0.027 0.000 0.858 512 N CB -0.214 38.288 38.487 0.025 0.000 0.970 512 N HN 0.582 nan 8.380 nan 0.000 0.471 513 L N 0.574 121.809 121.223 0.022 0.000 2.257 513 L HA 0.359 4.699 4.340 -0.000 0.000 0.290 513 L C 0.303 177.184 176.870 0.019 0.000 1.044 513 L CA -0.764 54.087 54.840 0.019 0.000 0.810 513 L CB 0.826 42.900 42.059 0.025 0.000 1.193 513 L HN -0.140 nan 8.230 nan 0.000 0.425 514 D N 2.033 122.442 120.400 0.014 0.000 2.342 514 D HA 0.016 4.656 4.640 -0.000 0.000 0.284 514 D C 0.404 176.711 176.300 0.012 0.000 1.198 514 D CA -0.114 53.894 54.000 0.013 0.000 1.061 514 D CB 0.519 41.324 40.800 0.009 0.000 1.130 514 D HN 0.550 nan 8.370 nan 0.000 0.541 515 N N 1.375 120.080 118.700 0.008 0.000 2.671 515 N HA 0.081 4.821 4.740 -0.000 0.000 0.274 515 N C -0.640 174.873 175.510 0.004 0.000 1.188 515 N CA -0.211 52.843 53.050 0.007 0.000 1.065 515 N CB -0.330 38.160 38.487 0.004 0.000 1.415 515 N HN 0.206 nan 8.380 nan 0.000 0.511 516 L N 1.222 122.449 121.223 0.007 0.000 2.292 516 L HA 0.422 4.762 4.340 -0.000 0.000 0.284 516 L C -0.955 175.915 176.870 -0.000 0.000 1.065 516 L CA -0.297 54.545 54.840 0.002 0.000 0.806 516 L CB 0.788 42.852 42.059 0.007 0.000 1.175 516 L HN 0.217 nan 8.230 nan 0.000 0.431 517 D N 4.814 125.206 120.400 -0.014 0.000 2.256 517 D HA 0.518 5.158 4.640 -0.000 0.000 0.240 517 D C -0.875 175.394 176.300 -0.051 0.000 1.062 517 D CA -0.027 53.959 54.000 -0.023 0.000 0.832 517 D CB 2.294 43.077 40.800 -0.027 0.000 1.135 517 D HN 0.383 nan 8.370 nan 0.000 0.484 518 V N 2.223 122.092 119.914 -0.075 0.000 2.971 518 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 518 V C -1.343 174.609 176.094 -0.238 0.000 1.130 518 V CA -0.753 61.441 62.300 -0.177 0.000 0.964 518 V CB 2.446 34.121 31.823 -0.246 0.000 1.029 518 V HN 0.423 nan 8.190 nan 0.000 0.427 519 R N 4.492 124.826 120.500 -0.278 0.000 2.494 519 R HA 0.556 4.896 4.340 -0.000 0.000 0.305 519 R C -1.841 174.341 176.300 -0.196 0.000 0.959 519 R CA -0.336 55.686 56.100 -0.130 0.000 0.864 519 R CB 2.082 32.365 30.300 -0.029 0.000 1.159 519 R HN 0.572 nan 8.270 nan 0.000 0.446 520 F N 3.661 123.730 119.950 0.197 0.000 2.449 520 F HA 0.367 4.894 4.527 -0.000 0.000 0.342 520 F C -1.753 173.985 175.800 -0.104 0.000 1.127 520 F CA -2.472 55.573 58.000 0.076 0.000 0.975 520 F CB 1.685 40.708 39.000 0.039 0.000 1.146 520 F HN 0.240 nan 8.300 nan 0.000 0.444 521 P HA 0.258 nan 4.420 nan 0.000 0.274 521 P C -0.882 176.123 177.300 -0.492 0.000 1.231 521 P CA -0.152 62.325 63.100 -1.038 0.000 0.790 521 P CB 1.460 32.292 31.700 -1.446 0.000 0.951 522 L N 0.378 121.305 121.223 -0.493 0.000 2.334 522 L HA 0.612 4.952 4.340 -0.000 0.000 0.270 522 L C 1.472 178.219 176.870 -0.205 0.000 1.018 522 L CA -0.602 54.093 54.840 -0.243 0.000 0.811 522 L CB 0.846 42.809 42.059 -0.160 0.000 1.271 522 L HN 0.695 nan 8.230 nan 0.000 0.443 523 G N 1.109 109.846 108.800 -0.105 0.000 2.179 523 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.257 523 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.257 523 G C -0.294 174.572 174.900 -0.056 0.000 1.010 523 G CA 0.308 45.369 45.100 -0.065 0.000 0.736 523 G HN 0.361 nan 8.290 nan 0.000 0.513 524 V N -0.190 119.687 119.914 -0.062 0.000 3.159 524 V HA 0.789 4.909 4.120 -0.000 0.000 0.308 524 V C 0.021 176.120 176.094 0.009 0.000 1.190 524 V CA -0.445 61.837 62.300 -0.030 0.000 1.037 524 V CB 2.159 33.930 31.823 -0.087 0.000 1.060 524 V HN 0.642 nan 8.190 nan 0.000 0.437 525 M N 2.173 121.802 119.600 0.049 0.000 2.129 525 M HA 0.668 5.148 4.480 -0.000 0.000 0.348 525 M C -0.732 175.634 176.300 0.110 0.000 1.116 525 M CA 0.567 55.901 55.300 0.056 0.000 1.022 525 M CB 1.370 33.981 32.600 0.019 0.000 1.599 525 M HN 0.660 nan 8.290 nan 0.000 0.449 526 T N 3.032 117.665 114.554 0.131 0.000 2.823 526 T HA 0.500 4.850 4.350 -0.000 0.000 0.279 526 T C -0.555 174.232 174.700 0.146 0.000 0.998 526 T CA -0.701 61.525 62.100 0.210 0.000 0.994 526 T CB 1.511 70.573 68.868 0.323 0.000 0.960 526 T HN 0.701 nan 8.240 nan 0.000 0.448 527 S N 1.976 117.751 115.700 0.125 0.000 2.442 527 S HA 0.471 4.941 4.470 -0.000 0.000 0.297 527 S C -0.097 174.554 174.600 0.084 0.000 1.131 527 S CA -0.703 57.536 58.200 0.066 0.000 1.092 527 S CB 0.882 64.094 63.200 0.020 0.000 0.998 527 S HN 0.509 nan 8.310 nan 0.000 0.478 528 V N 4.620 124.573 119.914 0.065 0.000 2.318 528 V HA 0.408 4.528 4.120 -0.000 0.000 0.271 528 V C 0.713 176.801 176.094 -0.010 0.000 1.030 528 V CA -0.557 61.785 62.300 0.070 0.000 0.844 528 V CB 0.575 32.472 31.823 0.124 0.000 1.015 528 V HN 1.010 nan 8.190 nan 0.000 0.460 529 T N 1.513 116.069 114.554 0.004 0.000 2.937 529 T HA 0.971 5.321 4.350 -0.000 0.000 0.283 529 T C 0.087 174.808 174.700 0.035 0.000 1.012 529 T CA -0.236 61.866 62.100 0.003 0.000 0.997 529 T CB 2.131 71.020 68.868 0.035 0.000 1.136 529 T HN 1.489 nan 8.240 nan 0.000 0.551 530 G N -0.454 108.404 108.800 0.097 0.000 2.333 530 G HA2 0.349 4.309 3.960 -0.000 0.000 0.330 530 G HA3 0.349 4.309 3.960 -0.000 0.000 0.330 530 G C -0.919 173.971 174.900 -0.017 0.000 1.465 530 G CA -0.529 44.573 45.100 0.005 0.000 0.996 530 G HN 0.915 nan 8.290 nan 0.000 0.655 531 V N 0.703 120.478 119.914 -0.231 0.000 3.178 531 V HA 0.308 4.428 4.120 -0.000 0.000 0.306 531 V C 1.338 177.375 176.094 -0.094 0.000 1.107 531 V CA 0.582 62.748 62.300 -0.223 0.000 1.195 531 V CB 1.322 32.998 31.823 -0.245 0.000 0.993 531 V HN 1.017 nan 8.190 nan 0.000 0.493 532 S N 2.828 118.493 115.700 -0.058 0.000 2.549 532 S HA 0.391 4.861 4.470 -0.000 0.000 0.286 532 S C 1.148 175.465 174.600 -0.473 0.000 1.314 532 S CA 0.286 58.421 58.200 -0.108 0.000 1.062 532 S CB 0.710 63.923 63.200 0.022 0.000 0.865 532 S HN 1.641 nan 8.310 nan 0.000 0.498 533 G N 2.327 110.731 108.800 -0.662 0.000 2.162 533 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 533 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 533 G C 0.989 175.593 174.900 -0.494 0.000 0.976 533 G CA 0.472 44.892 45.100 -1.134 0.000 0.655 533 G HN 0.625 nan 8.290 nan 0.000 0.533 534 S N -0.642 114.892 115.700 -0.276 0.000 2.343 534 S HA 0.302 4.772 4.470 -0.000 0.000 0.219 534 S C 2.160 176.708 174.600 -0.087 0.000 1.033 534 S CA 2.267 60.380 58.200 -0.145 0.000 1.014 534 S CB -0.180 62.961 63.200 -0.098 0.000 0.915 534 S HN 2.137 nan 8.310 nan 0.000 0.435 535 G N 0.035 108.801 108.800 -0.058 0.000 2.834 535 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 535 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 535 G C 0.620 175.531 174.900 0.018 0.000 0.974 535 G CA 0.180 45.272 45.100 -0.013 0.000 0.826 535 G HN 0.379 nan 8.290 nan 0.000 0.584 536 K N 1.015 121.425 120.400 0.017 0.000 1.991 536 K HA -0.101 4.219 4.320 -0.000 0.000 0.212 536 K C 2.673 179.302 176.600 0.049 0.000 1.049 536 K CA 1.853 58.163 56.287 0.037 0.000 0.932 536 K CB -0.389 32.116 32.500 0.009 0.000 0.717 536 K HN 0.343 nan 8.250 nan 0.000 0.441 537 S N 0.684 116.411 115.700 0.046 0.000 2.383 537 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 537 S C 1.961 176.590 174.600 0.049 0.000 1.030 537 S CA 2.015 60.246 58.200 0.052 0.000 1.002 537 S CB -0.582 62.657 63.200 0.065 0.000 0.829 537 S HN 0.339 nan 8.310 nan 0.000 0.467 538 T N 2.155 116.736 114.554 0.046 0.000 2.821 538 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 538 T C 1.677 176.410 174.700 0.056 0.000 1.046 538 T CA 1.289 63.416 62.100 0.046 0.000 1.139 538 T CB -0.416 68.475 68.868 0.040 0.000 0.871 538 T HN 0.347 nan 8.240 nan 0.000 0.454 539 L N 0.913 122.179 121.223 0.071 0.000 2.023 539 L HA 0.081 4.421 4.340 -0.000 0.000 0.205 539 L C 2.309 179.247 176.870 0.113 0.000 1.073 539 L CA 1.486 56.392 54.840 0.111 0.000 0.745 539 L CB -0.425 41.722 42.059 0.147 0.000 0.900 539 L HN 0.051 nan 8.230 nan 0.000 0.435 540 V N -1.637 118.329 119.914 0.086 0.000 2.341 540 V HA -0.062 4.058 4.120 -0.000 0.000 0.240 540 V C 2.381 178.473 176.094 -0.003 0.000 1.035 540 V CA 1.543 63.861 62.300 0.029 0.000 1.033 540 V CB -0.249 31.594 31.823 0.033 0.000 0.678 540 V HN 0.388 nan 8.190 nan 0.000 0.464 541 S N -0.401 115.310 115.700 0.017 0.000 2.357 541 S HA -0.176 4.294 4.470 -0.000 0.000 0.221 541 S C 1.948 176.559 174.600 0.018 0.000 1.031 541 S CA 1.483 59.692 58.200 0.015 0.000 0.982 541 S CB -0.177 63.039 63.200 0.027 0.000 0.853 541 S HN 0.619 nan 8.310 nan 0.000 0.458 542 Q N 0.810 120.627 119.800 0.028 0.000 1.990 542 Q HA 0.187 4.527 4.340 -0.000 0.000 0.195 542 Q C 2.592 178.608 176.000 0.026 0.000 0.977 542 Q CA 1.095 56.915 55.803 0.028 0.000 0.828 542 Q CB -0.392 28.367 28.738 0.034 0.000 0.896 542 Q HN 0.499 nan 8.270 nan 0.000 0.447 543 A N 0.970 123.811 122.820 0.035 0.000 1.855 543 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 543 A C 2.085 179.686 177.584 0.027 0.000 1.191 543 A CA 1.100 53.160 52.037 0.038 0.000 0.613 543 A CB -0.787 18.247 19.000 0.057 0.000 0.829 543 A HN 0.309 nan 8.150 nan 0.000 0.442 544 L N 0.159 121.394 121.223 0.020 0.000 1.955 544 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 544 L C 2.429 179.276 176.870 -0.038 0.000 1.072 544 L CA 2.264 57.087 54.840 -0.029 0.000 0.755 544 L CB -0.856 41.117 42.059 -0.142 0.000 0.888 544 L HN 0.167 nan 8.230 nan 0.000 0.432 545 V N 0.740 120.635 119.914 -0.033 0.000 2.250 545 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 545 V C 1.362 177.458 176.094 0.003 0.000 1.060 545 V CA 2.196 64.488 62.300 -0.014 0.000 1.030 545 V CB -1.199 30.622 31.823 -0.004 0.000 0.643 545 V HN 0.811 nan 8.190 nan 0.000 0.445 546 D N -0.776 119.628 120.400 0.007 0.000 2.690 546 D HA 0.410 5.050 4.640 -0.000 0.000 0.236 546 D C 0.790 177.092 176.300 0.003 0.000 1.218 546 D CA 0.670 54.676 54.000 0.010 0.000 0.829 546 D CB 0.460 41.270 40.800 0.016 0.000 1.009 546 D HN 0.341 nan 8.370 nan 0.000 0.482 547 A N 0.523 123.337 122.820 -0.010 0.000 1.970 547 A HA 0.181 4.501 4.320 -0.000 0.000 0.204 547 A C 1.858 179.409 177.584 -0.055 0.000 1.325 547 A CA 0.053 52.075 52.037 -0.024 0.000 0.767 547 A CB -0.432 18.556 19.000 -0.021 0.000 0.949 547 A HN 0.357 nan 8.150 nan 0.000 0.481 548 L N -3.163 118.016 121.223 -0.072 0.000 2.558 548 L HA 0.463 4.803 4.340 -0.000 0.000 0.225 548 L C 1.978 178.810 176.870 -0.064 0.000 1.128 548 L CA 0.979 55.727 54.840 -0.152 0.000 0.868 548 L CB -0.156 41.799 42.059 -0.173 0.000 1.006 548 L HN 0.178 nan 8.230 nan 0.000 0.454 549 A N 1.017 123.856 122.820 0.032 0.000 1.968 549 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 549 A C 2.519 180.133 177.584 0.051 0.000 1.169 549 A CA 1.306 53.398 52.037 0.092 0.000 0.638 549 A CB -0.487 18.552 19.000 0.066 0.000 0.812 549 A HN 0.539 nan 8.150 nan 0.000 0.446 550 A N -1.113 121.711 122.820 0.006 0.000 2.014 550 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 550 A C 1.927 179.492 177.584 -0.032 0.000 1.163 550 A CA 1.797 53.832 52.037 -0.004 0.000 0.652 550 A CB -0.730 18.268 19.000 -0.003 0.000 0.808 550 A HN 0.739 nan 8.150 nan 0.000 0.449 551 H N -1.848 117.087 119.070 -0.225 0.000 2.495 551 H HA 0.196 4.752 4.556 -0.000 0.000 0.287 551 H C 0.495 175.611 175.328 -0.353 0.000 1.033 551 H CA 0.877 56.712 56.048 -0.355 0.000 1.307 551 H CB -0.095 29.326 29.762 -0.568 0.000 1.401 551 H HN 0.480 nan 8.280 nan 0.000 0.555 552 F N -2.136 117.800 119.950 -0.023 0.000 2.635 552 F HA 0.383 4.910 4.527 -0.000 0.000 0.362 552 F C 1.941 177.704 175.800 -0.062 0.000 1.182 552 F CA -0.659 57.299 58.000 -0.070 0.000 1.119 552 F CB 0.609 39.600 39.000 -0.015 0.000 1.713 552 F HN -0.037 nan 8.300 nan 0.000 0.512 553 G N -0.409 108.510 108.800 0.198 0.000 3.434 553 G HA2 0.290 4.250 3.960 -0.000 0.000 0.258 553 G HA3 0.290 4.250 3.960 -0.000 0.000 0.258 553 G C -0.212 174.722 174.900 0.056 0.000 1.128 553 G CA 0.198 45.344 45.100 0.077 0.000 0.792 553 G HN 0.201 nan 8.290 nan 0.000 0.539 573 S N -1.214 114.497 115.700 0.019 0.000 2.689 573 S HA 0.991 5.461 4.470 -0.000 0.000 0.306 573 S C -0.122 174.489 174.600 0.019 0.000 1.104 573 S CA 0.100 58.310 58.200 0.016 0.000 0.973 573 S CB 1.689 64.897 63.200 0.013 0.000 1.121 573 S HN 2.088 nan 8.310 nan 0.000 0.523 574 A N 1.045 123.874 122.820 0.016 0.000 2.567 574 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 574 A C -1.686 175.904 177.584 0.010 0.000 1.048 574 A CA -0.877 51.171 52.037 0.018 0.000 0.661 574 A CB 1.167 20.181 19.000 0.024 0.000 1.288 574 A HN 0.679 nan 8.150 nan 0.000 0.424 575 R N 0.606 121.112 120.500 0.010 0.000 2.564 575 R HA 0.522 4.862 4.340 -0.000 0.000 0.284 575 R C -1.373 174.923 176.300 -0.008 0.000 1.031 575 R CA -0.740 55.359 56.100 -0.001 0.000 0.904 575 R CB 1.850 32.150 30.300 -0.000 0.000 1.199 575 R HN 0.613 nan 8.270 nan 0.000 0.443 576 L N 1.836 123.039 121.223 -0.034 0.000 2.375 576 L HA 0.700 5.040 4.340 -0.000 0.000 0.271 576 L C 0.631 177.467 176.870 -0.057 0.000 1.107 576 L CA 0.299 55.100 54.840 -0.066 0.000 0.806 576 L CB 1.619 43.582 42.059 -0.160 0.000 1.146 576 L HN 0.930 nan 8.230 nan 0.000 0.447 577 G N 0.299 109.070 108.800 -0.049 0.000 2.554 577 G HA2 0.580 4.540 3.960 -0.000 0.000 0.306 577 G HA3 0.580 4.540 3.960 -0.000 0.000 0.306 577 G C -0.494 174.400 174.900 -0.009 0.000 1.320 577 G CA 0.212 45.294 45.100 -0.029 0.000 0.800 577 G HN 1.030 nan 8.290 nan 0.000 0.481 578 G N -0.634 108.173 108.800 0.011 0.000 2.568 578 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.222 578 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.222 578 G C -0.724 174.197 174.900 0.036 0.000 1.321 578 G CA 0.138 45.265 45.100 0.046 0.000 0.893 578 G HN 0.941 nan 8.290 nan 0.000 0.569 579 D N 1.731 122.167 120.400 0.061 0.000 2.517 579 D HA 0.261 4.901 4.640 -0.000 0.000 0.220 579 D C 1.597 177.912 176.300 0.026 0.000 1.158 579 D CA -0.511 53.516 54.000 0.045 0.000 0.992 579 D CB 0.881 41.715 40.800 0.056 0.000 1.058 579 D HN 0.216 nan 8.370 nan 0.000 0.516 580 L N 1.299 122.526 121.223 0.008 0.000 2.109 580 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 580 L C 2.272 179.183 176.870 0.069 0.000 1.086 580 L CA 1.081 55.917 54.840 -0.007 0.000 0.760 580 L CB -1.033 40.983 42.059 -0.071 0.000 0.910 580 L HN 0.246 nan 8.230 nan 0.000 0.437 581 A N -1.089 121.773 122.820 0.070 0.000 2.259 581 A HA -0.174 4.146 4.320 -0.000 0.000 0.212 581 A C 1.966 179.591 177.584 0.069 0.000 1.178 581 A CA 0.849 52.936 52.037 0.083 0.000 0.734 581 A CB -0.406 18.631 19.000 0.062 0.000 0.774 581 A HN 0.578 nan 8.150 nan 0.000 0.481 582 Q N -0.884 118.951 119.800 0.059 0.000 2.384 582 Q HA 0.288 4.628 4.340 -0.000 0.000 0.207 582 Q C -0.366 175.666 176.000 0.053 0.000 0.904 582 Q CA 0.235 56.063 55.803 0.040 0.000 0.933 582 Q CB 0.450 29.197 28.738 0.016 0.000 1.077 582 Q HN 0.671 nan 8.270 nan 0.000 0.522 583 I N 0.386 121.020 120.570 0.106 0.000 2.362 583 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 583 I C 0.401 176.641 176.117 0.206 0.000 0.994 583 I CA -0.181 61.211 61.300 0.153 0.000 1.158 583 I CB 1.947 40.078 38.000 0.219 0.000 1.315 583 I HN -0.057 nan 8.210 nan 0.000 0.451 584 T N 4.333 118.870 114.554 -0.028 0.000 3.044 584 T HA 0.238 4.588 4.350 -0.000 0.000 0.237 584 T C 0.856 175.115 174.700 -0.734 0.000 1.001 584 T CA 0.393 62.357 62.100 -0.227 0.000 1.160 584 T CB 0.264 69.040 68.868 -0.154 0.000 0.889 584 T HN 0.429 nan 8.240 nan 0.000 0.442 585 R N 0.973 121.139 120.500 -0.557 0.000 2.740 585 R HA 0.524 4.864 4.340 -0.000 0.000 0.282 585 R C -1.488 174.575 176.300 -0.396 0.000 0.969 585 R CA -0.816 54.908 56.100 -0.626 0.000 0.918 585 R CB 1.967 32.033 30.300 -0.390 0.000 1.175 585 R HN 0.132 nan 8.270 nan 0.000 0.464 586 L N 3.214 124.271 121.223 -0.275 0.000 2.296 586 L HA 0.499 4.839 4.340 -0.000 0.000 0.286 586 L C -1.250 175.516 176.870 -0.173 0.000 1.023 586 L CA -0.484 54.306 54.840 -0.083 0.000 0.812 586 L CB 1.735 43.881 42.059 0.144 0.000 1.223 586 L HN 0.330 nan 8.230 nan 0.000 0.421 587 V N 6.266 126.032 119.914 -0.248 0.000 2.443 587 V HA 0.483 4.603 4.120 -0.000 0.000 0.293 587 V C -0.071 175.977 176.094 -0.077 0.000 1.021 587 V CA -0.736 61.440 62.300 -0.207 0.000 0.848 587 V CB 1.996 33.578 31.823 -0.402 0.000 0.998 587 V HN 0.889 nan 8.190 nan 0.000 0.424 588 R N 4.239 124.733 120.500 -0.011 0.000 2.407 588 R HA 0.802 5.142 4.340 -0.000 0.000 0.303 588 R C -1.667 174.665 176.300 0.054 0.000 0.981 588 R CA -0.569 55.545 56.100 0.024 0.000 0.905 588 R CB 1.893 32.203 30.300 0.016 0.000 1.099 588 R HN 0.351 nan 8.270 nan 0.000 0.459 589 V N 4.555 124.509 119.914 0.065 0.000 2.326 589 V HA 0.183 4.303 4.120 -0.000 0.000 0.281 589 V C -0.743 175.373 176.094 0.037 0.000 1.015 589 V CA -0.860 61.478 62.300 0.063 0.000 0.823 589 V CB 0.770 32.640 31.823 0.078 0.000 1.009 589 V HN 0.965 nan 8.190 nan 0.000 0.436 590 D N 3.944 124.361 120.400 0.028 0.000 2.387 590 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 590 D C 1.035 177.335 176.300 -0.001 0.000 1.141 590 D CA -0.798 53.212 54.000 0.016 0.000 0.987 590 D CB 0.824 41.634 40.800 0.016 0.000 1.116 590 D HN 0.389 nan 8.370 nan 0.000 0.491 591 Q N -0.069 119.729 119.800 -0.003 0.000 2.389 591 Q HA -0.036 4.304 4.340 -0.000 0.000 0.204 591 Q C -0.059 175.920 176.000 -0.034 0.000 0.944 591 Q CA 0.507 56.300 55.803 -0.017 0.000 0.908 591 Q CB -0.326 28.407 28.738 -0.008 0.000 1.002 591 Q HN 0.416 nan 8.270 nan 0.000 0.493 592 K N 2.332 122.715 120.400 -0.028 0.000 2.397 592 K HA 0.157 4.477 4.320 -0.000 0.000 0.265 592 K C -2.224 174.336 176.600 -0.067 0.000 0.982 592 K CA -1.223 55.041 56.287 -0.037 0.000 0.931 592 K CB -0.505 31.983 32.500 -0.019 0.000 0.943 592 K HN 0.067 nan 8.250 nan 0.000 0.501 593 P HA 0.012 nan 4.420 nan 0.000 0.272 593 P C 0.885 178.101 177.300 -0.140 0.000 1.240 593 P CA -0.210 62.825 63.100 -0.109 0.000 0.791 593 P CB 0.279 31.926 31.700 -0.090 0.000 0.978 594 I N -2.188 118.251 120.570 -0.219 0.000 2.353 594 I HA 0.209 4.379 4.170 -0.000 0.000 0.248 594 I C 0.877 176.935 176.117 -0.099 0.000 1.119 594 I CA 0.937 62.042 61.300 -0.325 0.000 1.417 594 I CB -0.613 37.017 38.000 -0.616 0.000 1.078 594 I HN 0.262 nan 8.210 nan 0.000 0.421 595 G N -0.024 108.729 108.800 -0.079 0.000 2.694 595 G HA2 0.513 4.473 3.960 -0.000 0.000 0.290 595 G HA3 0.513 4.473 3.960 -0.000 0.000 0.290 595 G C -0.492 174.378 174.900 -0.051 0.000 1.386 595 G CA -0.727 44.356 45.100 -0.028 0.000 0.872 595 G HN -0.095 nan 8.290 nan 0.000 0.475 596 R N -0.858 119.626 120.500 -0.028 0.000 2.254 596 R HA 0.249 4.589 4.340 -0.000 0.000 0.195 596 R C 1.440 177.725 176.300 -0.026 0.000 0.957 596 R CA 0.889 56.976 56.100 -0.022 0.000 1.024 596 R CB 0.267 30.568 30.300 0.003 0.000 0.952 596 R HN 0.717 nan 8.270 nan 0.000 0.484 597 T N -4.095 110.425 114.554 -0.056 0.000 2.888 597 T HA 0.425 4.775 4.350 -0.000 0.000 0.288 597 T C -2.326 172.241 174.700 -0.222 0.000 1.063 597 T CA -2.195 59.839 62.100 -0.109 0.000 1.010 597 T CB 2.315 71.172 68.868 -0.018 0.000 1.214 597 T HN -0.273 nan 8.240 nan 0.000 0.533 598 P HA 0.190 nan 4.420 nan 0.000 0.242 598 P C 1.363 178.551 177.300 -0.186 0.000 1.197 598 P CA 0.011 62.902 63.100 -0.347 0.000 0.765 598 P CB 0.038 31.462 31.700 -0.461 0.000 0.936 599 R N -0.231 120.218 120.500 -0.086 0.000 2.091 599 R HA -0.009 4.331 4.340 -0.000 0.000 0.238 599 R C 0.731 177.076 176.300 0.075 0.000 1.136 599 R CA 1.023 57.145 56.100 0.037 0.000 0.959 599 R CB -0.897 29.462 30.300 0.098 0.000 0.856 599 R HN 0.224 nan 8.270 nan 0.000 0.437 600 S N 1.275 116.982 115.700 0.011 0.000 2.564 600 S HA 0.149 4.619 4.470 -0.000 0.000 0.278 600 S C 0.197 174.778 174.600 -0.033 0.000 1.333 600 S CA -0.464 57.753 58.200 0.028 0.000 1.048 600 S CB 0.611 63.813 63.200 0.003 0.000 0.900 600 S HN 0.413 nan 8.310 nan 0.000 0.505 601 N N 0.976 119.685 118.700 0.015 0.000 3.046 601 N HA 0.243 4.983 4.740 -0.000 0.000 0.243 601 N C 0.380 175.906 175.510 0.027 0.000 1.452 601 N CA -0.909 52.122 53.050 -0.031 0.000 0.882 601 N CB 0.623 39.064 38.487 -0.076 0.000 1.425 601 N HN 0.333 nan 8.380 nan 0.000 0.517 602 M N 0.684 120.281 119.600 -0.005 0.000 2.082 602 M HA -0.214 4.266 4.480 -0.000 0.000 0.258 602 M C 2.311 178.666 176.300 0.092 0.000 1.069 602 M CA 2.853 58.177 55.300 0.040 0.000 1.102 602 M CB -0.496 32.104 32.600 0.001 0.000 1.336 602 M HN 0.827 nan 8.290 nan 0.000 0.404 603 A N -1.347 121.514 122.820 0.067 0.000 1.948 603 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 603 A C 2.211 179.879 177.584 0.141 0.000 1.177 603 A CA 2.525 54.623 52.037 0.103 0.000 0.636 603 A CB -0.954 18.067 19.000 0.034 0.000 0.815 603 A HN 0.505 nan 8.150 nan 0.000 0.449 604 T N -3.464 111.158 114.554 0.112 0.000 3.015 604 T HA 0.090 4.439 4.350 -0.000 0.000 0.250 604 T C 1.534 176.296 174.700 0.104 0.000 1.057 604 T CA 0.693 62.862 62.100 0.114 0.000 1.066 604 T CB -0.201 68.717 68.868 0.084 0.000 0.959 604 T HN 0.500 nan 8.240 nan 0.000 0.488 605 Y N 1.872 122.184 120.300 0.021 0.000 2.337 605 Y HA -0.043 4.507 4.550 -0.000 0.000 0.293 605 Y C 2.620 178.525 175.900 0.009 0.000 1.123 605 Y CA 1.912 60.017 58.100 0.008 0.000 1.201 605 Y CB -0.087 38.369 38.460 -0.007 0.000 1.011 605 Y HN 0.320 nan 8.280 nan 0.000 0.545 606 T N -3.900 110.730 114.554 0.128 0.000 2.942 606 T HA 0.176 4.526 4.350 -0.000 0.000 0.265 606 T C 1.801 176.499 174.700 -0.003 0.000 1.062 606 T CA 0.955 63.093 62.100 0.062 0.000 1.139 606 T CB -0.452 68.463 68.868 0.078 0.000 0.883 606 T HN 0.541 nan 8.240 nan 0.000 0.468 607 G N 1.377 110.185 108.800 0.014 0.000 2.179 607 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 607 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 607 G C 0.668 175.584 174.900 0.028 0.000 0.990 607 G CA 0.234 45.336 45.100 0.002 0.000 0.646 607 G HN 0.844 nan 8.290 nan 0.000 0.517 608 L N -2.038 119.214 121.223 0.048 0.000 2.376 608 L HA 0.530 4.870 4.340 -0.000 0.000 0.219 608 L C 2.097 179.002 176.870 0.058 0.000 1.133 608 L CA 1.700 56.551 54.840 0.019 0.000 0.816 608 L CB -0.731 41.325 42.059 -0.004 0.000 0.933 608 L HN 0.102 nan 8.230 nan 0.000 0.449 609 F N 1.382 121.317 119.950 -0.024 0.000 2.293 609 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 609 F C 1.765 177.555 175.800 -0.016 0.000 1.086 609 F CA 1.116 59.118 58.000 0.002 0.000 1.375 609 F CB -0.418 38.613 39.000 0.051 0.000 1.045 609 F HN 0.218 nan 8.300 nan 0.000 0.516 610 D N -0.591 119.789 120.400 -0.032 0.000 2.117 610 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 610 D C 2.204 178.415 176.300 -0.149 0.000 0.987 610 D CA 1.470 55.411 54.000 -0.098 0.000 0.829 610 D CB 0.020 40.794 40.800 -0.042 0.000 0.961 610 D HN 0.308 nan 8.370 nan 0.000 0.460 611 Q N 0.196 119.911 119.800 -0.141 0.000 2.137 611 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 611 Q C 2.456 178.334 176.000 -0.204 0.000 0.960 611 Q CA 0.503 56.216 55.803 -0.150 0.000 0.847 611 Q CB -0.719 27.939 28.738 -0.133 0.000 0.915 611 Q HN 0.263 nan 8.270 nan 0.000 0.448 612 V N 2.025 121.791 119.914 -0.247 0.000 2.332 612 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 612 V C 2.454 178.411 176.094 -0.229 0.000 1.055 612 V CA 2.119 64.287 62.300 -0.220 0.000 1.038 612 V CB -0.542 31.166 31.823 -0.191 0.000 0.651 612 V HN 0.333 nan 8.190 nan 0.000 0.450 613 R N -0.185 120.078 120.500 -0.394 0.000 2.115 613 R HA -0.098 4.242 4.340 -0.000 0.000 0.226 613 R C 2.420 178.625 176.300 -0.158 0.000 1.100 613 R CA 1.047 56.959 56.100 -0.313 0.000 0.980 613 R CB -0.344 29.783 30.300 -0.288 0.000 0.875 613 R HN 0.460 nan 8.270 nan 0.000 0.445 614 K N 1.442 121.757 120.400 -0.142 0.000 2.074 614 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 614 K C 1.925 178.432 176.600 -0.155 0.000 1.048 614 K CA 1.395 57.617 56.287 -0.107 0.000 0.926 614 K CB -0.079 32.358 32.500 -0.105 0.000 0.713 614 K HN 0.158 nan 8.250 nan 0.000 0.444 615 L N -0.354 120.715 121.223 -0.257 0.000 2.217 615 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 615 L C 2.131 178.692 176.870 -0.515 0.000 1.107 615 L CA 0.663 55.231 54.840 -0.454 0.000 0.783 615 L CB -0.255 41.309 42.059 -0.825 0.000 0.919 615 L HN 0.121 nan 8.230 nan 0.000 0.442 616 F N 0.027 119.657 119.950 -0.533 0.000 2.234 616 F HA -0.053 4.474 4.527 -0.000 0.000 0.296 616 F C 2.566 178.097 175.800 -0.448 0.000 1.089 616 F CA 1.022 58.624 58.000 -0.664 0.000 1.343 616 F CB -0.426 37.727 39.000 -1.412 0.000 1.040 616 F HN -0.038 nan 8.300 nan 0.000 0.498 617 A N -0.366 122.396 122.820 -0.098 0.000 2.121 617 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 617 A C 2.028 179.673 177.584 0.101 0.000 1.154 617 A CA 1.332 53.474 52.037 0.176 0.000 0.679 617 A CB -0.975 18.143 19.000 0.197 0.000 0.795 617 A HN 0.246 nan 8.150 nan 0.000 0.458 618 A N -0.170 122.652 122.820 0.002 0.000 2.345 618 A HA 0.380 4.700 4.320 -0.000 0.000 0.225 618 A C 1.122 178.712 177.584 0.009 0.000 1.243 618 A CA 0.645 52.683 52.037 0.000 0.000 0.875 618 A CB -0.744 18.236 19.000 -0.033 0.000 0.929 618 A HN 0.489 nan 8.150 nan 0.000 0.502 619 T N -2.779 111.788 114.554 0.023 0.000 2.913 619 T HA 0.388 4.738 4.350 -0.000 0.000 0.287 619 T C -1.538 173.189 174.700 0.045 0.000 1.008 619 T CA -1.622 60.497 62.100 0.032 0.000 1.067 619 T CB 1.169 70.057 68.868 0.035 0.000 0.996 619 T HN -0.001 nan 8.240 nan 0.000 0.513 620 P HA -0.146 nan 4.420 nan 0.000 0.217 620 P C 1.500 178.811 177.300 0.019 0.000 1.151 620 P CA 0.671 63.783 63.100 0.019 0.000 0.849 620 P CB 0.043 31.750 31.700 0.012 0.000 0.787 621 L N -0.753 120.494 121.223 0.040 0.000 2.162 621 L HA 0.159 4.499 4.340 -0.000 0.000 0.205 621 L C 2.402 179.266 176.870 -0.010 0.000 1.086 621 L CA 1.588 56.444 54.840 0.027 0.000 0.778 621 L CB -1.355 40.744 42.059 0.067 0.000 0.928 621 L HN -0.133 nan 8.230 nan 0.000 0.446 622 A N -0.741 122.138 122.820 0.097 0.000 1.972 622 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 622 A C 2.253 179.843 177.584 0.011 0.000 1.169 622 A CA 1.649 53.773 52.037 0.146 0.000 0.635 622 A CB -0.445 18.820 19.000 0.440 0.000 0.810 622 A HN 0.329 nan 8.150 nan 0.000 0.446 623 K N 0.209 120.624 120.400 0.025 0.000 2.097 623 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 623 K C 1.943 178.518 176.600 -0.040 0.000 1.050 623 K CA 1.410 57.701 56.287 0.007 0.000 0.938 623 K CB -0.232 32.278 32.500 0.017 0.000 0.718 623 K HN 0.495 nan 8.250 nan 0.000 0.442 624 K N 0.128 120.489 120.400 -0.065 0.000 2.009 624 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 624 K C 0.539 177.060 176.600 -0.130 0.000 1.049 624 K CA 1.286 57.525 56.287 -0.080 0.000 0.929 624 K CB -0.032 32.424 32.500 -0.073 0.000 0.714 624 K HN -0.015 nan 8.250 nan 0.000 0.440 625 R N -0.632 119.709 120.500 -0.265 0.000 2.560 625 R HA 0.140 4.480 4.340 -0.000 0.000 0.270 625 R C 0.515 176.664 176.300 -0.252 0.000 1.074 625 R CA 0.061 55.939 56.100 -0.370 0.000 1.140 625 R CB 0.659 30.417 30.300 -0.903 0.000 1.073 625 R HN 0.162 nan 8.270 nan 0.000 0.527 626 G N 1.747 110.492 108.800 -0.093 0.000 3.458 626 G HA2 0.107 4.067 3.960 -0.000 0.000 0.256 626 G HA3 0.107 4.067 3.960 -0.000 0.000 0.256 626 G C -0.851 174.163 174.900 0.189 0.000 0.938 626 G CA -0.093 45.029 45.100 0.038 0.000 1.890 626 G HN 0.278 nan 8.290 nan 0.000 0.639 627 Y N 1.482 121.813 120.300 0.051 0.000 2.323 627 Y HA 0.312 4.862 4.550 -0.000 0.000 0.331 627 Y C 0.810 176.769 175.900 0.100 0.000 1.092 627 Y CA -2.359 55.772 58.100 0.052 0.000 1.150 627 Y CB 0.966 39.474 38.460 0.080 0.000 1.200 627 Y HN 0.463 nan 8.280 nan 0.000 0.472 628 N N 0.424 119.263 118.700 0.232 0.000 2.741 628 N HA 0.429 5.169 4.740 -0.000 0.000 0.310 628 N C 0.631 176.288 175.510 0.244 0.000 1.295 628 N CA -0.253 52.914 53.050 0.195 0.000 0.893 628 N CB 1.120 39.673 38.487 0.110 0.000 1.247 628 N HN 0.485 nan 8.380 nan 0.000 0.596 629 A N -0.293 122.652 122.820 0.208 0.000 2.019 629 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 629 A C 2.007 179.706 177.584 0.192 0.000 1.164 629 A CA 1.871 54.054 52.037 0.243 0.000 0.644 629 A CB -1.512 17.540 19.000 0.088 0.000 0.805 629 A HN 0.831 nan 8.150 nan 0.000 0.449 630 G N -0.193 108.658 108.800 0.085 0.000 2.442 630 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 630 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 630 G C 1.607 176.475 174.900 -0.054 0.000 1.141 630 G CA 1.192 46.303 45.100 0.019 0.000 0.763 630 G HN 0.539 nan 8.290 nan 0.000 0.554 631 R N -0.007 120.377 120.500 -0.194 0.000 2.226 631 R HA -0.074 4.266 4.340 -0.000 0.000 0.246 631 R C 1.219 177.185 176.300 -0.557 0.000 1.161 631 R CA 1.167 56.940 56.100 -0.544 0.000 0.997 631 R CB -0.538 29.124 30.300 -1.063 0.000 0.870 631 R HN 0.438 nan 8.270 nan 0.000 0.465 632 F N -1.140 118.800 119.950 -0.016 0.000 2.653 632 F HA 0.381 4.908 4.527 -0.000 0.000 0.304 632 F C 0.613 176.578 175.800 0.276 0.000 1.092 632 F CA -0.280 57.725 58.000 0.009 0.000 1.279 632 F CB 0.258 39.121 39.000 -0.229 0.000 1.044 632 F HN -0.163 nan 8.300 nan 0.000 0.564 633 S N 0.578 116.453 115.700 0.292 0.000 2.562 633 S HA 0.251 4.721 4.470 -0.000 0.000 0.275 633 S C 0.559 175.251 174.600 0.152 0.000 1.281 633 S CA -0.582 57.736 58.200 0.196 0.000 1.045 633 S CB 0.340 63.550 63.200 0.017 0.000 0.962 633 S HN 0.307 nan 8.310 nan 0.000 0.503 634 F N 2.855 122.877 119.950 0.120 0.000 2.660 634 F HA 0.542 5.069 4.527 0.000 0.000 0.302 634 F C 0.887 176.642 175.800 -0.075 0.000 1.103 634 F CA -0.614 57.294 58.000 -0.153 0.000 1.340 634 F CB -0.271 38.510 39.000 -0.365 0.000 1.048 634 F HN 0.381 nan 8.300 nan 0.000 0.551 635 N N 0.452 119.014 118.700 -0.230 0.000 2.205 635 N HA 0.188 4.928 4.740 -0.000 0.000 0.201 635 N C -0.506 174.970 175.510 -0.056 0.000 1.128 635 N CA 0.347 53.327 53.050 -0.118 0.000 0.867 635 N CB 1.646 40.023 38.487 -0.183 0.000 0.996 635 N HN 0.162 nan 8.380 nan 0.000 0.503 636 V N 1.064 120.950 119.914 -0.046 0.000 2.709 636 V HA 0.191 4.311 4.120 -0.000 0.000 0.308 636 V C 0.172 176.252 176.094 -0.023 0.000 1.062 636 V CA -1.233 61.050 62.300 -0.029 0.000 0.901 636 V CB 3.133 34.939 31.823 -0.029 0.000 1.003 636 V HN -0.027 nan 8.190 nan 0.000 0.425 637 K N 2.375 122.763 120.400 -0.020 0.000 2.414 637 K HA 0.454 4.774 4.320 -0.000 0.000 0.272 637 K C 0.925 177.505 176.600 -0.032 0.000 0.993 637 K CA 1.201 57.475 56.287 -0.022 0.000 0.964 637 K CB 0.576 33.067 32.500 -0.016 0.000 0.925 637 K HN 1.037 nan 8.250 nan 0.000 0.487 638 G N 2.560 111.336 108.800 -0.039 0.000 3.246 638 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.196 638 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.196 638 G C 0.777 175.621 174.900 -0.095 0.000 2.019 638 G CA 0.099 45.161 45.100 -0.063 0.000 1.385 638 G HN 0.737 nan 8.290 nan 0.000 0.484 639 G N 1.260 109.988 108.800 -0.119 0.000 2.887 639 G HA2 0.424 4.384 3.960 -0.000 0.000 0.211 639 G HA3 0.424 4.384 3.960 -0.000 0.000 0.211 639 G C 0.849 175.786 174.900 0.062 0.000 1.152 639 G CA 0.910 45.933 45.100 -0.128 0.000 0.769 639 G HN 0.885 nan 8.290 nan 0.000 0.541 640 R N -1.110 119.403 120.500 0.021 0.000 2.577 640 R HA 0.492 4.832 4.340 -0.000 0.000 0.269 640 R C -0.253 176.022 176.300 -0.042 0.000 1.084 640 R CA -0.684 55.377 56.100 -0.066 0.000 1.163 640 R CB 0.234 30.465 30.300 -0.115 0.000 1.100 640 R HN -0.033 nan 8.270 nan 0.000 0.547 641 C N 2.023 121.277 119.300 -0.077 0.000 2.627 641 C HA 0.101 4.561 4.460 -0.000 0.000 0.404 641 C C 1.199 176.176 174.990 -0.021 0.000 1.340 641 C CA -0.153 58.844 59.018 -0.035 0.000 1.758 641 C CB -0.539 27.169 27.740 -0.052 0.000 2.501 641 C HN 1.004 nan 8.230 nan 0.000 0.588 642 E N 1.740 121.943 120.200 0.004 0.000 2.478 642 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 642 E C 1.625 178.234 176.600 0.016 0.000 1.045 642 E CA 0.738 57.139 56.400 0.002 0.000 0.868 642 E CB -0.271 29.427 29.700 -0.004 0.000 0.885 642 E HN 0.963 nan 8.360 nan 0.000 0.505 643 H N -1.431 117.606 119.070 -0.055 0.000 2.389 643 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 643 H C 1.623 176.920 175.328 -0.051 0.000 1.081 643 H CA 2.023 58.037 56.048 -0.057 0.000 1.345 643 H CB 0.180 29.897 29.762 -0.075 0.000 1.393 643 H HN 0.388 nan 8.280 nan 0.000 0.520 644 C N -1.004 118.328 119.300 0.053 0.000 3.183 644 C HA 0.354 4.814 4.460 -0.000 0.000 0.285 644 C C 0.803 175.790 174.990 -0.006 0.000 1.313 644 C CA -0.241 58.786 59.018 0.016 0.000 1.711 644 C CB -0.379 27.379 27.740 0.031 0.000 2.135 644 C HN 0.648 nan 8.230 nan 0.000 0.651 645 Q N 0.846 120.636 119.800 -0.015 0.000 2.481 645 Q HA -0.192 4.148 4.340 -0.000 0.000 0.272 645 Q C 1.245 177.242 176.000 -0.004 0.000 1.157 645 Q CA 0.972 56.769 55.803 -0.011 0.000 0.935 645 Q CB -1.770 26.966 28.738 -0.004 0.000 1.338 645 Q HN 1.553 nan 8.270 nan 0.000 0.494 646 G N -0.637 108.135 108.800 -0.048 0.000 2.162 646 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 646 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 646 G C 0.455 175.269 174.900 -0.143 0.000 0.976 646 G CA 0.589 45.631 45.100 -0.097 0.000 0.655 646 G HN 0.556 nan 8.290 nan 0.000 0.533 647 E N -0.375 119.779 120.200 -0.077 0.000 2.371 647 E HA 0.291 4.641 4.350 -0.000 0.000 0.194 647 E C 2.215 178.800 176.600 -0.024 0.000 1.012 647 E CA 0.621 56.979 56.400 -0.071 0.000 0.860 647 E CB -0.084 29.621 29.700 0.009 0.000 0.811 647 E HN 1.382 nan 8.360 nan 0.000 0.502 648 G N 0.816 109.573 108.800 -0.071 0.000 2.267 648 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.257 648 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.257 648 G C -0.121 174.625 174.900 -0.257 0.000 0.998 648 G CA 0.427 45.434 45.100 -0.155 0.000 0.620 648 G HN 0.202 nan 8.290 nan 0.000 0.529 649 W N -1.007 120.254 121.300 -0.064 0.000 2.950 649 W HA 0.690 5.350 4.660 -0.000 0.000 0.340 649 W C -0.818 175.774 176.519 0.122 0.000 1.139 649 W CA -0.937 56.419 57.345 0.017 0.000 1.188 649 W CB 2.097 31.531 29.460 -0.043 0.000 1.426 649 W HN 0.170 nan 8.180 nan 0.000 0.531 650 V N 4.496 124.651 119.914 0.403 0.000 2.656 650 V HA 0.383 4.503 4.120 -0.000 0.000 0.307 650 V C -0.363 175.875 176.094 0.241 0.000 1.051 650 V CA -0.870 61.598 62.300 0.281 0.000 0.893 650 V CB 2.160 34.066 31.823 0.137 0.000 0.999 650 V HN 0.523 nan 8.190 nan 0.000 0.426 651 M N 7.068 126.707 119.600 0.065 0.000 2.217 651 M HA 0.361 4.841 4.480 -0.000 0.000 0.352 651 M C -0.313 175.915 176.300 -0.119 0.000 1.376 651 M CA 0.108 55.263 55.300 -0.242 0.000 1.107 651 M CB 1.051 33.471 32.600 -0.300 0.000 1.723 651 M HN 0.580 nan 8.290 nan 0.000 0.461 652 V N 3.208 123.044 119.914 -0.130 0.000 2.247 652 V HA 0.383 4.503 4.120 -0.000 0.000 0.262 652 V C 0.403 176.462 176.094 -0.060 0.000 1.096 652 V CA -0.492 61.774 62.300 -0.056 0.000 0.895 652 V CB 0.186 32.003 31.823 -0.010 0.000 1.141 652 V HN 0.882 nan 8.190 nan 0.000 0.478 653 E N 2.783 122.951 120.200 -0.055 0.000 2.357 653 E HA 0.056 4.406 4.350 -0.000 0.000 0.194 653 E C 1.084 177.688 176.600 0.008 0.000 1.177 653 E CA 0.140 56.522 56.400 -0.031 0.000 0.998 653 E CB 0.422 30.102 29.700 -0.032 0.000 1.106 653 E HN 0.652 nan 8.360 nan 0.000 0.470 654 L N -0.645 120.586 121.223 0.012 0.000 2.249 654 L HA 0.097 4.437 4.340 -0.000 0.000 0.207 654 L C 1.181 178.099 176.870 0.080 0.000 1.090 654 L CA 0.513 55.373 54.840 0.034 0.000 0.802 654 L CB -0.431 41.641 42.059 0.021 0.000 0.947 654 L HN 0.164 nan 8.230 nan 0.000 0.453 655 L N 1.154 122.419 121.223 0.070 0.000 2.342 655 L HA -0.024 4.316 4.340 -0.000 0.000 0.285 655 L C 1.374 178.308 176.870 0.107 0.000 1.095 655 L CA -0.373 54.526 54.840 0.099 0.000 0.843 655 L CB 0.554 42.643 42.059 0.051 0.000 1.201 655 L HN 0.126 nan 8.230 nan 0.000 0.445 656 F N 5.061 125.008 119.950 -0.005 0.000 2.615 656 F HA 0.128 4.655 4.527 -0.000 0.000 0.297 656 F C 0.554 176.354 175.800 -0.000 0.000 1.124 656 F CA -0.419 57.577 58.000 -0.008 0.000 1.451 656 F CB -0.309 38.687 39.000 -0.007 0.000 1.103 656 F HN 0.196 nan 8.300 nan 0.000 0.569 657 L N -0.488 120.318 121.223 -0.696 0.000 2.375 657 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 657 L C -2.391 174.346 176.870 -0.220 0.000 1.107 657 L CA -2.232 52.280 54.840 -0.546 0.000 0.806 657 L CB -0.676 41.154 42.059 -0.382 0.000 1.146 657 L HN -0.278 nan 8.230 nan 0.000 0.447 658 P HA -0.174 nan 4.420 nan 0.000 0.255 658 P C 0.007 177.265 177.300 -0.071 0.000 1.114 658 P CA 0.698 63.741 63.100 -0.095 0.000 0.765 658 P CB 0.138 31.801 31.700 -0.062 0.000 0.694 659 S N 1.638 117.289 115.700 -0.081 0.000 2.566 659 S HA 0.269 4.739 4.470 -0.000 0.000 0.280 659 S C 0.414 174.938 174.600 -0.126 0.000 1.343 659 S CA -0.332 57.808 58.200 -0.100 0.000 1.036 659 S CB 0.051 63.169 63.200 -0.137 0.000 0.866 659 S HN 0.312 nan 8.310 nan 0.000 0.526 660 V N 2.374 122.209 119.914 -0.131 0.000 3.164 660 V HA 0.708 4.828 4.120 -0.000 0.000 0.313 660 V C -1.618 174.355 176.094 -0.201 0.000 1.188 660 V CA -1.033 61.207 62.300 -0.101 0.000 1.058 660 V CB 1.026 32.867 31.823 0.031 0.000 1.110 660 V HN 0.778 nan 8.190 nan 0.000 0.453 661 Y N 0.401 120.731 120.300 0.050 0.000 2.352 661 Y HA 0.839 5.389 4.550 -0.000 0.000 0.339 661 Y C 0.513 176.572 175.900 0.265 0.000 0.992 661 Y CA 0.142 58.316 58.100 0.122 0.000 1.100 661 Y CB 1.878 40.351 38.460 0.021 0.000 1.192 661 Y HN 1.068 nan 8.280 nan 0.000 0.458 662 A N 4.716 127.821 122.820 0.475 0.000 2.354 662 A HA 0.820 5.140 4.320 -0.000 0.000 0.321 662 A C -2.909 174.853 177.584 0.296 0.000 1.125 662 A CA -2.282 49.980 52.037 0.375 0.000 0.799 662 A CB 1.000 20.097 19.000 0.161 0.000 1.293 662 A HN 0.443 nan 8.150 nan 0.000 0.452 663 P HA 0.182 nan 4.420 nan 0.000 0.271 663 P C -0.064 177.026 177.300 -0.349 0.000 1.218 663 P CA -0.375 62.338 63.100 -0.645 0.000 0.780 663 P CB 0.348 31.762 31.700 -0.476 0.000 0.901 664 C N 6.428 125.488 119.300 -0.401 0.000 2.590 664 C HA 0.067 4.527 4.460 -0.000 0.000 0.411 664 C C -0.629 174.141 174.990 -0.367 0.000 1.420 664 C CA -1.090 57.783 59.018 -0.241 0.000 1.643 664 C CB -0.856 26.764 27.740 -0.201 0.000 2.528 664 C HN 0.530 nan 8.230 nan 0.000 0.606 665 P HA -0.064 nan 4.420 nan 0.000 0.228 665 P C 1.124 178.021 177.300 -0.672 0.000 1.151 665 P CA 1.326 64.165 63.100 -0.435 0.000 0.770 665 P CB 0.080 31.613 31.700 -0.279 0.000 0.786 666 V N -0.206 119.316 119.914 -0.653 0.000 2.908 666 V HA -0.049 4.071 4.120 -0.000 0.000 0.240 666 V C 2.703 178.555 176.094 -0.403 0.000 1.117 666 V CA 1.618 63.607 62.300 -0.519 0.000 1.133 666 V CB -0.547 30.992 31.823 -0.473 0.000 0.857 666 V HN 0.259 nan 8.190 nan 0.000 0.478 667 C N -1.670 117.420 119.300 -0.350 0.000 3.065 667 C HA 0.365 4.825 4.460 -0.000 0.000 0.285 667 C C 1.326 176.248 174.990 -0.113 0.000 1.257 667 C CA 0.104 59.026 59.018 -0.160 0.000 1.691 667 C CB -1.173 26.504 27.740 -0.104 0.000 2.089 667 C HN 0.740 nan 8.230 nan 0.000 0.630 668 H N 0.787 119.733 119.070 -0.206 0.000 2.958 668 H HA -0.035 4.521 4.556 -0.000 0.000 0.274 668 H C 1.428 176.535 175.328 -0.368 0.000 1.184 668 H CA 1.441 57.338 56.048 -0.252 0.000 1.143 668 H CB -1.632 28.031 29.762 -0.164 0.000 1.297 668 H HN 1.184 nan 8.280 nan 0.000 0.356 669 G N -1.718 106.852 108.800 -0.383 0.000 2.179 669 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 669 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 669 G C 1.227 175.976 174.900 -0.252 0.000 0.990 669 G CA 0.806 45.560 45.100 -0.577 0.000 0.646 669 G HN 0.941 nan 8.290 nan 0.000 0.517 670 T N -2.216 112.272 114.554 -0.109 0.000 2.904 670 T HA 0.143 4.493 4.350 -0.000 0.000 0.267 670 T C 1.626 176.356 174.700 0.049 0.000 1.059 670 T CA 1.723 63.839 62.100 0.026 0.000 1.137 670 T CB -0.138 68.787 68.868 0.095 0.000 0.879 670 T HN 1.030 nan 8.240 nan 0.000 0.467 671 R N -1.516 118.923 120.500 -0.101 0.000 3.584 671 R HA -0.124 4.216 4.340 -0.000 0.000 0.488 671 R C -1.128 174.907 176.300 -0.442 0.000 0.869 671 R CA 1.005 56.922 56.100 -0.305 0.000 1.325 671 R CB -2.014 27.972 30.300 -0.523 0.000 2.015 671 R HN 0.554 nan 8.270 nan 0.000 0.489 672 Y N 0.801 121.100 120.300 -0.002 0.000 2.576 672 Y HA 0.317 4.867 4.550 -0.000 0.000 0.346 672 Y C 0.639 176.534 175.900 -0.008 0.000 1.018 672 Y CA -1.091 57.014 58.100 0.009 0.000 1.050 672 Y CB 0.933 39.410 38.460 0.027 0.000 1.280 672 Y HN 0.055 nan 8.280 nan 0.000 0.474 673 N N 0.367 119.154 118.700 0.145 0.000 2.317 673 N HA 0.232 4.972 4.740 -0.000 0.000 0.245 673 N C 0.655 176.219 175.510 0.089 0.000 1.294 673 N CA 0.214 53.310 53.050 0.077 0.000 0.924 673 N CB 0.537 39.047 38.487 0.038 0.000 1.186 673 N HN 0.749 nan 8.380 nan 0.000 0.495 674 A N -0.640 122.219 122.820 0.065 0.000 1.968 674 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 674 A C 1.953 179.584 177.584 0.078 0.000 1.169 674 A CA 1.414 53.492 52.037 0.069 0.000 0.638 674 A CB -0.966 18.066 19.000 0.054 0.000 0.812 674 A HN 0.903 nan 8.150 nan 0.000 0.446 675 E N -0.436 119.809 120.200 0.075 0.000 2.152 675 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 675 E C 1.597 178.271 176.600 0.123 0.000 0.983 675 E CA 1.434 57.896 56.400 0.104 0.000 0.818 675 E CB -0.091 29.672 29.700 0.105 0.000 0.758 675 E HN 0.527 nan 8.360 nan 0.000 0.467 676 T N 1.021 115.601 114.554 0.044 0.000 2.951 676 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 676 T C 1.630 176.380 174.700 0.084 0.000 1.073 676 T CA 0.709 62.792 62.100 -0.029 0.000 1.134 676 T CB 0.006 68.795 68.868 -0.132 0.000 0.884 676 T HN 0.172 nan 8.240 nan 0.000 0.479 677 L N 0.466 121.744 121.223 0.092 0.000 2.558 677 L HA 0.204 4.544 4.340 -0.000 0.000 0.225 677 L C 2.257 179.208 176.870 0.136 0.000 1.128 677 L CA 0.493 55.392 54.840 0.098 0.000 0.868 677 L CB -0.333 41.776 42.059 0.084 0.000 1.006 677 L HN 0.218 nan 8.230 nan 0.000 0.454 678 E N -0.061 120.230 120.200 0.152 0.000 2.347 678 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 678 E C 0.263 176.979 176.600 0.194 0.000 1.008 678 E CA 0.266 56.757 56.400 0.152 0.000 0.852 678 E CB 0.307 30.089 29.700 0.137 0.000 0.783 678 E HN 0.208 nan 8.360 nan 0.000 0.505 679 V N 2.336 122.420 119.914 0.284 0.000 2.461 679 V HA 0.123 4.243 4.120 -0.000 0.000 0.275 679 V C -0.106 176.214 176.094 0.375 0.000 1.047 679 V CA -0.033 62.481 62.300 0.358 0.000 0.955 679 V CB 1.092 33.263 31.823 0.579 0.000 0.988 679 V HN 0.052 nan 8.190 nan 0.000 0.471 680 E N 3.481 123.831 120.200 0.250 0.000 2.199 680 E HA 0.346 4.696 4.350 -0.000 0.000 0.265 680 E C -1.524 175.089 176.600 0.023 0.000 0.882 680 E CA -0.766 55.752 56.400 0.196 0.000 0.759 680 E CB 2.377 32.149 29.700 0.120 0.000 1.148 680 E HN 0.675 nan 8.360 nan 0.000 0.412 681 Y N 3.385 123.470 120.300 -0.357 0.000 2.404 681 Y HA 0.215 4.765 4.550 -0.000 0.000 0.344 681 Y C 0.204 176.027 175.900 -0.128 0.000 0.970 681 Y CA -0.637 57.172 58.100 -0.485 0.000 1.180 681 Y CB 0.377 38.156 38.460 -1.134 0.000 1.138 681 Y HN 0.607 nan 8.280 nan 0.000 0.510 682 R N 4.713 124.912 120.500 -0.503 0.000 3.333 682 R HA -0.212 4.128 4.340 -0.000 0.000 0.256 682 R C 0.958 177.210 176.300 -0.079 0.000 1.010 682 R CA 0.898 56.777 56.100 -0.369 0.000 0.680 682 R CB -1.800 28.110 30.300 -0.649 0.000 1.102 682 R HN 1.364 nan 8.270 nan 0.000 0.440 683 G N -0.298 108.470 108.800 -0.053 0.000 2.155 683 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 683 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 683 G C -0.039 174.863 174.900 0.003 0.000 0.983 683 G CA 0.972 46.067 45.100 -0.009 0.000 0.676 683 G HN 0.389 nan 8.290 nan 0.000 0.528 684 K N 0.490 120.908 120.400 0.030 0.000 2.345 684 K HA 0.367 4.687 4.320 -0.000 0.000 0.255 684 K C 0.260 177.009 176.600 0.247 0.000 0.934 684 K CA -0.622 55.696 56.287 0.052 0.000 0.801 684 K CB 1.417 33.856 32.500 -0.102 0.000 1.137 684 K HN 0.348 nan 8.250 nan 0.000 0.424 685 N N 1.263 120.095 118.700 0.219 0.000 2.366 685 N HA 0.033 4.773 4.740 -0.000 0.000 0.277 685 N C 0.793 176.441 175.510 0.229 0.000 1.275 685 N CA -0.463 52.760 53.050 0.288 0.000 0.964 685 N CB 0.355 38.935 38.487 0.155 0.000 1.167 685 N HN 0.502 nan 8.380 nan 0.000 0.568 686 I N -1.498 118.996 120.570 -0.128 0.000 2.676 686 I HA 0.103 4.273 4.170 -0.000 0.000 0.259 686 I C 1.844 177.916 176.117 -0.074 0.000 1.194 686 I CA 0.911 61.938 61.300 -0.456 0.000 1.473 686 I CB -0.718 36.747 38.000 -0.892 0.000 1.096 686 I HN 0.701 nan 8.210 nan 0.000 0.443 687 A N -0.588 122.228 122.820 -0.006 0.000 2.021 687 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 687 A C 1.959 179.599 177.584 0.093 0.000 1.163 687 A CA 1.197 53.296 52.037 0.104 0.000 0.676 687 A CB -0.537 18.535 19.000 0.120 0.000 0.818 687 A HN 0.378 nan 8.150 nan 0.000 0.453 688 D N -0.011 120.436 120.400 0.079 0.000 2.117 688 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 688 D C 2.258 178.586 176.300 0.047 0.000 0.987 688 D CA 1.892 55.921 54.000 0.047 0.000 0.829 688 D CB -0.268 40.547 40.800 0.026 0.000 0.961 688 D HN 0.415 nan 8.370 nan 0.000 0.460 689 V N -0.461 119.532 119.914 0.132 0.000 2.379 689 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 689 V C 2.365 178.594 176.094 0.225 0.000 1.044 689 V CA 1.010 63.432 62.300 0.204 0.000 1.036 689 V CB -0.796 31.298 31.823 0.452 0.000 0.664 689 V HN 0.087 nan 8.190 nan 0.000 0.453 690 L N 0.959 122.311 121.223 0.215 0.000 2.191 690 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 690 L C 2.858 179.791 176.870 0.105 0.000 1.103 690 L CA 1.467 56.404 54.840 0.160 0.000 0.769 690 L CB -0.773 41.366 42.059 0.134 0.000 0.908 690 L HN 0.471 nan 8.230 nan 0.000 0.438 691 A N -0.744 122.132 122.820 0.094 0.000 2.206 691 A HA 0.049 4.369 4.320 -0.000 0.000 0.211 691 A C 0.838 178.460 177.584 0.064 0.000 1.158 691 A CA 0.236 52.316 52.037 0.073 0.000 0.761 691 A CB -0.266 18.771 19.000 0.061 0.000 0.801 691 A HN 0.142 nan 8.150 nan 0.000 0.473 692 L N 0.810 122.079 121.223 0.077 0.000 2.380 692 L HA 0.247 4.587 4.340 -0.000 0.000 0.273 692 L C 0.783 177.706 176.870 0.089 0.000 1.138 692 L CA 0.503 55.388 54.840 0.075 0.000 0.832 692 L CB 0.590 42.704 42.059 0.092 0.000 1.124 692 L HN 0.116 nan 8.230 nan 0.000 0.454 693 T N 2.722 117.322 114.554 0.078 0.000 2.856 693 T HA 0.113 4.463 4.350 -0.000 0.000 0.306 693 T C 1.641 176.396 174.700 0.092 0.000 1.062 693 T CA -0.513 61.629 62.100 0.070 0.000 1.083 693 T CB 0.969 69.881 68.868 0.074 0.000 0.984 693 T HN 0.412 nan 8.240 nan 0.000 0.542 694 V N 1.900 121.847 119.914 0.055 0.000 2.343 694 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 694 V C 2.197 178.363 176.094 0.119 0.000 1.051 694 V CA 1.759 64.105 62.300 0.076 0.000 1.036 694 V CB -0.498 31.326 31.823 0.001 0.000 0.654 694 V HN 0.786 nan 8.190 nan 0.000 0.451 695 D N 0.084 120.533 120.400 0.082 0.000 2.104 695 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 695 D C 2.236 178.641 176.300 0.175 0.000 0.994 695 D CA 1.546 55.599 54.000 0.090 0.000 0.830 695 D CB -0.164 40.671 40.800 0.059 0.000 0.959 695 D HN 0.593 nan 8.370 nan 0.000 0.452 696 E N 0.169 120.462 120.200 0.154 0.000 2.158 696 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 696 E C 1.933 178.663 176.600 0.215 0.000 0.982 696 E CA 0.737 57.230 56.400 0.155 0.000 0.823 696 E CB 0.031 29.786 29.700 0.092 0.000 0.766 696 E HN 0.178 nan 8.360 nan 0.000 0.468 697 A N 1.116 124.095 122.820 0.265 0.000 2.119 697 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 697 A C 1.933 179.820 177.584 0.504 0.000 1.152 697 A CA 0.909 53.190 52.037 0.407 0.000 0.708 697 A CB -0.543 18.741 19.000 0.474 0.000 0.805 697 A HN 0.309 nan 8.150 nan 0.000 0.460 698 H N 0.247 119.498 119.070 0.301 0.000 2.363 698 H HA -0.118 4.438 4.556 -0.000 0.000 0.301 698 H C 1.341 176.890 175.328 0.368 0.000 1.074 698 H CA 1.905 58.142 56.048 0.315 0.000 1.354 698 H CB 0.003 29.872 29.762 0.179 0.000 1.397 698 H HN 0.467 nan 8.280 nan 0.000 0.516 699 D N -0.012 120.602 120.400 0.357 0.000 2.087 699 D HA -0.159 4.481 4.640 -0.000 0.000 0.192 699 D C 2.018 178.409 176.300 0.152 0.000 0.993 699 D CA 1.415 55.551 54.000 0.226 0.000 0.828 699 D CB -0.591 40.334 40.800 0.209 0.000 0.968 699 D HN 0.313 nan 8.370 nan 0.000 0.448 700 F N -0.674 119.265 119.950 -0.019 0.000 2.234 700 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 700 F C 1.094 176.722 175.800 -0.287 0.000 1.087 700 F CA 1.043 58.910 58.000 -0.221 0.000 1.340 700 F CB 0.118 38.897 39.000 -0.368 0.000 1.031 700 F HN -0.084 nan 8.300 nan 0.000 0.500 701 F N -0.679 119.349 119.950 0.130 0.000 2.647 701 F HA 0.338 4.865 4.527 -0.000 0.000 0.300 701 F C 1.861 177.677 175.800 0.027 0.000 1.106 701 F CA 0.092 58.133 58.000 0.068 0.000 1.313 701 F CB -0.387 38.737 39.000 0.208 0.000 1.007 701 F HN -0.002 nan 8.300 nan 0.000 0.536 702 A N 0.004 122.851 122.820 0.046 0.000 1.971 702 A HA -0.252 4.068 4.320 -0.000 0.000 0.222 702 A C 1.772 179.117 177.584 -0.399 0.000 1.182 702 A CA 2.309 54.165 52.037 -0.302 0.000 0.649 702 A CB -0.388 18.447 19.000 -0.275 0.000 0.818 702 A HN 0.268 nan 8.150 nan 0.000 0.458 703 D N -0.094 120.197 120.400 -0.181 0.000 2.363 703 D HA 0.077 4.717 4.640 -0.000 0.000 0.214 703 D C -0.441 175.829 176.300 -0.050 0.000 1.093 703 D CA 0.098 54.010 54.000 -0.148 0.000 0.837 703 D CB 0.218 40.941 40.800 -0.130 0.000 0.948 703 D HN 0.523 nan 8.370 nan 0.000 0.507 704 E N 0.747 120.971 120.200 0.040 0.000 2.063 704 E HA 0.131 4.481 4.350 -0.000 0.000 0.265 704 E C 0.704 177.354 176.600 0.083 0.000 0.919 704 E CA -0.228 56.218 56.400 0.076 0.000 0.756 704 E CB 2.036 31.829 29.700 0.156 0.000 1.120 704 E HN -0.218 nan 8.360 nan 0.000 0.414 705 S N 3.070 118.796 115.700 0.045 0.000 2.353 705 S HA -0.216 4.254 4.470 -0.000 0.000 0.222 705 S C 1.777 176.448 174.600 0.118 0.000 1.035 705 S CA 1.716 59.961 58.200 0.076 0.000 1.025 705 S CB 0.070 63.289 63.200 0.033 0.000 0.902 705 S HN 0.594 nan 8.310 nan 0.000 0.440 706 A N 0.660 123.512 122.820 0.053 0.000 1.968 706 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 706 A C 2.095 179.687 177.584 0.015 0.000 1.169 706 A CA 1.183 53.237 52.037 0.028 0.000 0.638 706 A CB -0.601 18.395 19.000 -0.006 0.000 0.812 706 A HN 0.612 nan 8.150 nan 0.000 0.446 707 I N -1.898 118.664 120.570 -0.013 0.000 2.133 707 I HA -0.182 3.988 4.170 -0.000 0.000 0.238 707 I C 2.290 178.427 176.117 0.033 0.000 1.074 707 I CA 1.523 62.774 61.300 -0.083 0.000 1.342 707 I CB -0.424 37.374 38.000 -0.338 0.000 1.053 707 I HN 0.432 nan 8.210 nan 0.000 0.404 708 F N 1.936 121.880 119.950 -0.011 0.000 2.147 708 F HA -0.265 4.262 4.527 -0.000 0.000 0.301 708 F C 2.601 178.425 175.800 0.040 0.000 1.084 708 F CA 1.696 59.715 58.000 0.032 0.000 1.268 708 F CB -0.212 38.790 39.000 0.003 0.000 1.009 708 F HN -0.107 nan 8.300 nan 0.000 0.486 709 R N -0.058 120.458 120.500 0.027 0.000 2.090 709 R HA -0.015 4.325 4.340 -0.000 0.000 0.228 709 R C 2.502 178.749 176.300 -0.088 0.000 1.110 709 R CA 0.908 56.972 56.100 -0.060 0.000 0.973 709 R CB -0.728 29.609 30.300 0.062 0.000 0.869 709 R HN 0.405 nan 8.270 nan 0.000 0.440 710 A N 1.569 124.361 122.820 -0.047 0.000 1.858 710 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 710 A C 2.173 179.729 177.584 -0.045 0.000 1.190 710 A CA 1.163 53.181 52.037 -0.032 0.000 0.617 710 A CB -0.637 18.355 19.000 -0.013 0.000 0.827 710 A HN 0.172 nan 8.150 nan 0.000 0.443 711 L N -0.655 120.535 121.223 -0.054 0.000 2.187 711 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 711 L C 2.265 179.089 176.870 -0.076 0.000 1.100 711 L CA 1.647 56.469 54.840 -0.029 0.000 0.765 711 L CB -0.629 41.454 42.059 0.040 0.000 0.904 711 L HN 0.430 nan 8.230 nan 0.000 0.437 712 D N -0.185 120.095 120.400 -0.200 0.000 2.117 712 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 712 D C 2.230 178.468 176.300 -0.103 0.000 0.982 712 D CA 1.760 55.638 54.000 -0.202 0.000 0.828 712 D CB 0.150 40.742 40.800 -0.346 0.000 0.967 712 D HN 0.319 nan 8.370 nan 0.000 0.464 713 T N -1.381 113.125 114.554 -0.079 0.000 2.788 713 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 713 T C 2.221 176.893 174.700 -0.046 0.000 1.044 713 T CA 0.767 62.837 62.100 -0.050 0.000 1.139 713 T CB -0.630 68.218 68.868 -0.033 0.000 0.867 713 T HN 0.158 nan 8.240 nan 0.000 0.454 714 L N -0.155 121.041 121.223 -0.044 0.000 2.201 714 L HA 0.103 4.443 4.340 -0.000 0.000 0.212 714 L C 3.198 180.033 176.870 -0.058 0.000 1.105 714 L CA 1.047 55.859 54.840 -0.047 0.000 0.775 714 L CB -0.396 41.640 42.059 -0.039 0.000 0.913 714 L HN 0.210 nan 8.230 nan 0.000 0.440 715 R N 0.124 120.586 120.500 -0.064 0.000 2.066 715 R HA -0.088 4.252 4.340 -0.000 0.000 0.224 715 R C 2.124 178.387 176.300 -0.062 0.000 1.122 715 R CA 0.842 56.895 56.100 -0.079 0.000 0.974 715 R CB 0.056 30.272 30.300 -0.139 0.000 0.871 715 R HN 0.276 nan 8.270 nan 0.000 0.435 716 E N -0.337 119.828 120.200 -0.058 0.000 2.219 716 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 716 E C 1.495 178.077 176.600 -0.030 0.000 0.998 716 E CA 1.189 57.566 56.400 -0.039 0.000 0.818 716 E CB 0.121 29.800 29.700 -0.035 0.000 0.741 716 E HN 0.111 nan 8.360 nan 0.000 0.477 717 V N -0.956 118.938 119.914 -0.034 0.000 3.647 717 V HA 0.142 4.262 4.120 -0.000 0.000 0.279 717 V C 1.041 177.124 176.094 -0.017 0.000 1.314 717 V CA 1.052 63.334 62.300 -0.031 0.000 1.125 717 V CB 0.672 32.472 31.823 -0.039 0.000 0.907 717 V HN 0.493 nan 8.190 nan 0.000 0.434 718 G N 0.059 108.854 108.800 -0.008 0.000 2.168 718 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.197 718 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.197 718 G C 0.344 175.283 174.900 0.064 0.000 0.997 718 G CA 0.117 45.238 45.100 0.035 0.000 0.658 718 G HN 0.408 nan 8.290 nan 0.000 0.513 719 L N 1.452 122.648 121.223 -0.045 0.000 2.912 719 L HA 0.366 4.706 4.340 -0.000 0.000 0.240 719 L C 2.248 178.970 176.870 -0.247 0.000 1.262 719 L CA 0.398 55.102 54.840 -0.226 0.000 1.058 719 L CB 0.145 42.060 42.059 -0.239 0.000 1.383 719 L HN 0.222 nan 8.230 nan 0.000 0.512 720 G N 0.271 109.034 108.800 -0.061 0.000 2.498 720 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 720 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 720 G C 1.259 176.165 174.900 0.009 0.000 1.119 720 G CA 0.671 45.760 45.100 -0.019 0.000 0.766 720 G HN 0.643 nan 8.290 nan 0.000 0.552 721 Y N -0.413 119.886 120.300 -0.002 0.000 2.519 721 Y HA 0.480 5.030 4.550 0.000 0.000 0.287 721 Y C 1.027 176.928 175.900 0.001 0.000 1.128 721 Y CA -0.883 57.219 58.100 0.003 0.000 1.282 721 Y CB -0.236 38.223 38.460 -0.000 0.000 1.027 721 Y HN -0.075 nan 8.280 nan 0.000 0.551 722 L N 2.413 123.375 121.223 -0.435 0.000 2.436 722 L HA 0.300 4.640 4.340 -0.000 0.000 0.265 722 L C 0.324 177.130 176.870 -0.106 0.000 1.168 722 L CA -0.312 54.347 54.840 -0.300 0.000 0.815 722 L CB 0.720 42.542 42.059 -0.394 0.000 1.109 722 L HN 0.159 nan 8.230 nan 0.000 0.462 723 R N 1.348 121.812 120.500 -0.061 0.000 2.368 723 R HA 0.198 4.538 4.340 -0.000 0.000 0.302 723 R C 0.649 176.946 176.300 -0.005 0.000 1.002 723 R CA -0.912 55.185 56.100 -0.005 0.000 0.929 723 R CB 1.298 31.608 30.300 0.016 0.000 1.073 723 R HN 0.418 nan 8.270 nan 0.000 0.464 724 L N 2.010 123.259 121.223 0.044 0.000 2.051 724 L HA -0.174 4.166 4.340 -0.000 0.000 0.214 724 L C 2.060 178.938 176.870 0.014 0.000 1.076 724 L CA 2.211 57.088 54.840 0.062 0.000 0.758 724 L CB -0.588 41.560 42.059 0.149 0.000 0.890 724 L HN 0.947 nan 8.230 nan 0.000 0.433 725 G N -2.289 106.510 108.800 -0.002 0.000 3.088 725 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.217 725 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.217 725 G C 0.651 175.499 174.900 -0.086 0.000 1.159 725 G CA -0.333 44.725 45.100 -0.070 0.000 0.760 725 G HN 0.342 nan 8.290 nan 0.000 0.550 726 Q N 1.384 121.140 119.800 -0.073 0.000 2.247 726 Q HA 0.115 4.455 4.340 -0.000 0.000 0.288 726 Q C -2.226 173.659 176.000 -0.192 0.000 1.079 726 Q CA -1.368 54.364 55.803 -0.118 0.000 0.932 726 Q CB 0.771 29.440 28.738 -0.116 0.000 1.133 726 Q HN 0.082 nan 8.270 nan 0.000 0.377 727 P HA -0.025 nan 4.420 nan 0.000 0.269 727 P C -0.602 176.513 177.300 -0.308 0.000 1.215 727 P CA 0.170 63.063 63.100 -0.344 0.000 0.780 727 P CB 0.779 32.131 31.700 -0.580 0.000 0.898 728 A N 2.152 124.819 122.820 -0.254 0.000 2.067 728 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 728 A C 1.757 179.207 177.584 -0.223 0.000 1.158 728 A CA 1.981 53.891 52.037 -0.213 0.000 0.661 728 A CB -1.682 17.217 19.000 -0.169 0.000 0.801 728 A HN 0.624 nan 8.150 nan 0.000 0.452 729 T N -1.920 112.462 114.554 -0.286 0.000 3.072 729 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 729 T C 1.100 175.662 174.700 -0.231 0.000 1.127 729 T CA 1.245 63.194 62.100 -0.251 0.000 1.107 729 T CB -0.245 68.424 68.868 -0.332 0.000 0.910 729 T HN 0.637 nan 8.240 nan 0.000 0.513 730 E N 0.575 120.606 120.200 -0.282 0.000 2.465 730 E HA 0.269 4.619 4.350 -0.000 0.000 0.191 730 E C -0.066 176.423 176.600 -0.184 0.000 1.053 730 E CA -0.087 56.164 56.400 -0.249 0.000 0.869 730 E CB 0.118 29.627 29.700 -0.319 0.000 0.977 730 E HN 0.561 nan 8.360 nan 0.000 0.483 731 L N 0.952 122.076 121.223 -0.165 0.000 2.334 731 L HA 0.316 4.656 4.340 -0.000 0.000 0.273 731 L C 0.607 177.411 176.870 -0.110 0.000 1.013 731 L CA -0.865 53.896 54.840 -0.132 0.000 0.816 731 L CB 1.745 43.717 42.059 -0.145 0.000 1.278 731 L HN -0.012 nan 8.230 nan 0.000 0.431 732 S N 0.524 116.174 115.700 -0.084 0.000 2.652 732 S HA 0.316 4.786 4.470 -0.000 0.000 0.267 732 S C 1.097 175.654 174.600 -0.072 0.000 1.201 732 S CA -0.102 58.053 58.200 -0.075 0.000 0.996 732 S CB 1.223 64.395 63.200 -0.047 0.000 1.054 732 S HN 0.768 nan 8.310 nan 0.000 0.561 733 G N -0.070 108.693 108.800 -0.061 0.000 2.394 733 G HA2 0.113 4.073 3.960 -0.000 0.000 0.215 733 G HA3 0.113 4.073 3.960 -0.000 0.000 0.215 733 G C 1.307 176.177 174.900 -0.049 0.000 1.165 733 G CA 0.453 45.519 45.100 -0.056 0.000 0.784 733 G HN 0.908 nan 8.290 nan 0.000 0.535 734 G N 0.392 109.171 108.800 -0.035 0.000 2.422 734 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.218 734 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.218 734 G C 1.574 176.453 174.900 -0.035 0.000 1.140 734 G CA 0.952 46.034 45.100 -0.029 0.000 0.775 734 G HN 0.508 nan 8.290 nan 0.000 0.545 735 E N 0.408 120.586 120.200 -0.036 0.000 2.072 735 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 735 E C 2.891 179.431 176.600 -0.101 0.000 0.985 735 E CA 0.830 57.195 56.400 -0.059 0.000 0.801 735 E CB -0.132 29.533 29.700 -0.058 0.000 0.750 735 E HN 0.398 nan 8.360 nan 0.000 0.452 736 A N 0.945 123.697 122.820 -0.112 0.000 1.930 736 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 736 A C 2.095 179.596 177.584 -0.138 0.000 1.175 736 A CA 1.514 53.457 52.037 -0.156 0.000 0.627 736 A CB -0.446 18.458 19.000 -0.159 0.000 0.815 736 A HN 0.207 nan 8.150 nan 0.000 0.443 737 Q N -0.312 119.436 119.800 -0.088 0.000 2.050 737 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 737 Q C 2.225 178.195 176.000 -0.050 0.000 0.980 737 Q CA 1.794 57.562 55.803 -0.058 0.000 0.840 737 Q CB -0.113 28.604 28.738 -0.035 0.000 0.898 737 Q HN 0.650 nan 8.270 nan 0.000 0.424 738 R N -0.177 120.290 120.500 -0.055 0.000 2.148 738 R HA -0.042 4.298 4.340 -0.000 0.000 0.227 738 R C 2.249 178.518 176.300 -0.051 0.000 1.103 738 R CA 1.177 57.248 56.100 -0.049 0.000 0.983 738 R CB -0.149 30.123 30.300 -0.047 0.000 0.874 738 R HN 0.395 nan 8.270 nan 0.000 0.451 739 I N 0.807 121.329 120.570 -0.079 0.000 2.252 739 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 739 I C 1.967 178.083 176.117 -0.001 0.000 1.102 739 I CA 1.411 62.669 61.300 -0.071 0.000 1.385 739 I CB -0.226 37.681 38.000 -0.155 0.000 1.064 739 I HN 0.088 nan 8.210 nan 0.000 0.414 740 K N 0.457 120.841 120.400 -0.028 0.000 2.097 740 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 740 K C 2.072 178.737 176.600 0.110 0.000 1.050 740 K CA 1.117 57.465 56.287 0.102 0.000 0.938 740 K CB -0.230 32.297 32.500 0.045 0.000 0.718 740 K HN 0.094 nan 8.250 nan 0.000 0.442 741 L N 1.108 122.358 121.223 0.045 0.000 2.017 741 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 741 L C 2.169 179.049 176.870 0.017 0.000 1.073 741 L CA 1.840 56.695 54.840 0.025 0.000 0.745 741 L CB -0.763 41.284 42.059 -0.020 0.000 0.894 741 L HN 0.137 nan 8.230 nan 0.000 0.432 742 A N -1.874 120.954 122.820 0.013 0.000 1.930 742 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 742 A C 2.202 179.805 177.584 0.033 0.000 1.175 742 A CA 2.029 54.070 52.037 0.006 0.000 0.627 742 A CB -1.100 17.897 19.000 -0.005 0.000 0.815 742 A HN 0.511 nan 8.150 nan 0.000 0.443 743 T N 0.139 114.739 114.554 0.077 0.000 2.803 743 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 743 T C 1.398 176.138 174.700 0.066 0.000 1.052 743 T CA 1.499 63.649 62.100 0.084 0.000 1.136 743 T CB -0.134 68.826 68.868 0.153 0.000 0.864 743 T HN 0.444 nan 8.240 nan 0.000 0.467 744 E N 0.184 120.438 120.200 0.090 0.000 2.474 744 E HA 0.213 4.563 4.350 -0.000 0.000 0.195 744 E C 1.633 178.292 176.600 0.098 0.000 1.039 744 E CA -0.050 56.428 56.400 0.129 0.000 0.881 744 E CB 0.083 29.931 29.700 0.247 0.000 0.970 744 E HN 0.310 nan 8.360 nan 0.000 0.486 745 L N 0.413 121.651 121.223 0.024 0.000 2.068 745 L HA 0.006 4.346 4.340 -0.000 0.000 0.204 745 L C 2.218 179.086 176.870 -0.004 0.000 1.076 745 L CA 1.537 56.361 54.840 -0.028 0.000 0.753 745 L CB -0.106 41.925 42.059 -0.047 0.000 0.910 745 L HN -0.074 nan 8.230 nan 0.000 0.439 746 R N -1.065 119.439 120.500 0.007 0.000 2.240 746 R HA 0.029 4.369 4.340 -0.000 0.000 0.203 746 R C 2.100 178.413 176.300 0.022 0.000 1.011 746 R CA 0.272 56.379 56.100 0.011 0.000 1.007 746 R CB 0.047 30.351 30.300 0.006 0.000 0.911 746 R HN 0.338 nan 8.270 nan 0.000 0.468 747 R N 0.257 120.777 120.500 0.033 0.000 2.189 747 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 747 R C 1.445 177.773 176.300 0.046 0.000 1.092 747 R CA 1.225 57.344 56.100 0.032 0.000 0.989 747 R CB -0.132 30.187 30.300 0.030 0.000 0.876 747 R HN 0.048 nan 8.270 nan 0.000 0.457 748 S N 0.928 116.674 115.700 0.077 0.000 3.305 748 S HA 0.077 4.547 4.470 -0.000 0.000 0.248 748 S C 0.678 175.312 174.600 0.055 0.000 1.288 748 S CA -0.361 57.901 58.200 0.103 0.000 1.249 748 S CB -0.319 62.975 63.200 0.157 0.000 1.116 748 S HN 0.306 nan 8.310 nan 0.000 0.465 749 G N 2.242 111.061 108.800 0.032 0.000 2.340 749 G HA2 0.359 4.319 3.960 -0.000 0.000 0.245 749 G HA3 0.359 4.319 3.960 -0.000 0.000 0.245 749 G C 0.478 175.388 174.900 0.018 0.000 1.294 749 G CA -0.649 44.463 45.100 0.020 0.000 0.896 749 G HN 0.583 nan 8.290 nan 0.000 0.522 750 R N 0.517 121.027 120.500 0.017 0.000 3.819 750 R HA -0.194 4.146 4.340 -0.000 0.000 0.488 750 R C 0.854 177.168 176.300 0.023 0.000 0.241 750 R CA 0.971 57.080 56.100 0.015 0.000 1.530 750 R CB -1.741 28.563 30.300 0.007 0.000 1.019 750 R HN 1.285 nan 8.270 nan 0.000 0.557 751 G N -2.381 106.429 108.800 0.017 0.000 2.857 751 G HA2 0.519 4.479 3.960 -0.000 0.000 0.217 751 G HA3 0.519 4.479 3.960 -0.000 0.000 0.217 751 G C 0.843 175.747 174.900 0.006 0.000 1.357 751 G CA 0.621 45.734 45.100 0.023 0.000 1.033 751 G HN 1.390 nan 8.290 nan 0.000 0.571 752 G N -1.991 106.809 108.800 -0.000 0.000 2.259 752 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 752 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 752 G C 0.699 175.561 174.900 -0.063 0.000 1.001 752 G CA 1.185 46.270 45.100 -0.025 0.000 0.627 752 G HN 1.660 nan 8.290 nan 0.000 0.501 753 T N 0.216 114.723 114.554 -0.078 0.000 2.799 753 T HA 0.592 4.942 4.350 -0.000 0.000 0.286 753 T C 0.130 174.724 174.700 -0.176 0.000 0.973 753 T CA 0.256 62.232 62.100 -0.207 0.000 1.035 753 T CB 1.551 70.197 68.868 -0.370 0.000 0.932 753 T HN 1.244 nan 8.240 nan 0.000 0.469 754 V N 7.345 127.147 119.914 -0.187 0.000 2.406 754 V HA 0.476 4.596 4.120 -0.000 0.000 0.272 754 V C -1.397 174.571 176.094 -0.209 0.000 1.043 754 V CA -0.644 61.594 62.300 -0.103 0.000 0.915 754 V CB -0.010 31.785 31.823 -0.046 0.000 0.988 754 V HN 0.918 nan 8.190 nan 0.000 0.466 755 Y N 5.639 125.919 120.300 -0.034 0.000 2.367 755 Y HA 0.503 5.053 4.550 -0.000 0.000 0.342 755 Y C 0.347 176.221 175.900 -0.042 0.000 0.979 755 Y CA -0.555 57.526 58.100 -0.031 0.000 1.161 755 Y CB 1.770 40.215 38.460 -0.025 0.000 1.155 755 Y HN 0.610 nan 8.280 nan 0.000 0.503 756 V N 3.874 123.828 119.914 0.066 0.000 2.370 756 V HA 0.695 4.815 4.120 -0.000 0.000 0.283 756 V C -1.168 174.952 176.094 0.042 0.000 1.023 756 V CA -0.730 61.582 62.300 0.019 0.000 0.857 756 V CB 0.989 32.786 31.823 -0.044 0.000 0.985 756 V HN 0.486 nan 8.190 nan 0.000 0.443 757 L N 4.656 125.899 121.223 0.034 0.000 2.385 757 L HA 0.642 4.982 4.340 -0.000 0.000 0.273 757 L C -0.330 176.553 176.870 0.020 0.000 0.990 757 L CA -0.116 54.743 54.840 0.033 0.000 0.821 757 L CB 1.497 43.574 42.059 0.029 0.000 1.279 757 L HN 0.922 nan 8.230 nan 0.000 0.412 758 D N 1.761 122.177 120.400 0.026 0.000 2.225 758 D HA 0.096 4.736 4.640 -0.000 0.000 0.249 758 D C 0.239 176.566 176.300 0.044 0.000 1.052 758 D CA -0.239 53.783 54.000 0.037 0.000 0.909 758 D CB 1.070 41.900 40.800 0.049 0.000 1.186 758 D HN 0.402 nan 8.370 nan 0.000 0.431 759 E N 2.745 122.988 120.200 0.072 0.000 0.826 759 E HA -0.168 4.182 4.350 -0.000 0.000 0.235 759 E C -1.633 174.991 176.600 0.040 0.000 0.504 759 E CA -0.161 56.293 56.400 0.089 0.000 0.724 759 E CB -0.044 29.796 29.700 0.233 0.000 0.943 759 E HN 0.377 nan 8.360 nan 0.000 0.270 760 P HA -0.086 nan 4.420 nan 0.000 0.231 760 P C 0.846 178.133 177.300 -0.022 0.000 1.158 760 P CA 1.085 64.180 63.100 -0.008 0.000 0.763 760 P CB 0.131 31.819 31.700 -0.019 0.000 0.805 761 T N -4.499 110.041 114.554 -0.022 0.000 3.243 761 T HA 0.109 4.459 4.350 -0.000 0.000 0.264 761 T C 0.369 175.037 174.700 -0.053 0.000 1.000 761 T CA -0.454 61.616 62.100 -0.050 0.000 0.901 761 T CB -1.422 67.406 68.868 -0.066 0.000 1.083 761 T HN 0.063 nan 8.240 nan 0.000 0.559 762 T N -0.291 114.248 114.554 -0.025 0.000 2.867 762 T HA 0.423 4.773 4.350 -0.000 0.000 0.297 762 T C 1.574 176.255 174.700 -0.031 0.000 0.989 762 T CA 0.199 62.288 62.100 -0.017 0.000 1.159 762 T CB 0.224 69.090 68.868 -0.005 0.000 0.928 762 T HN 1.119 nan 8.240 nan 0.000 0.538 763 G N 1.770 110.562 108.800 -0.013 0.000 2.179 763 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.257 763 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.257 763 G C -0.216 174.576 174.900 -0.180 0.000 1.010 763 G CA -0.023 45.087 45.100 0.016 0.000 0.736 763 G HN 0.791 nan 8.290 nan 0.000 0.513 764 L N 0.602 121.618 121.223 -0.346 0.000 2.317 764 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 764 L C 0.804 177.241 176.870 -0.723 0.000 1.024 764 L CA -1.293 53.301 54.840 -0.409 0.000 0.810 764 L CB 1.419 43.360 42.059 -0.197 0.000 1.240 764 L HN 0.339 nan 8.230 nan 0.000 0.427 765 H N 4.754 123.433 119.070 -0.652 0.000 2.707 765 H HA 0.107 4.663 4.556 -0.000 0.000 0.359 765 H C -1.780 173.350 175.328 -0.331 0.000 1.113 765 H CA -1.176 54.633 56.048 -0.399 0.000 1.422 765 H CB 1.655 31.338 29.762 -0.133 0.000 1.443 765 H HN 0.406 nan 8.280 nan 0.000 0.591 766 P HA -0.187 nan 4.420 nan 0.000 0.217 766 P C 0.891 177.797 177.300 -0.658 0.000 1.148 766 P CA 2.256 64.889 63.100 -0.779 0.000 0.834 766 P CB 0.026 31.014 31.700 -1.186 0.000 0.783 767 A N -0.758 121.857 122.820 -0.342 0.000 1.968 767 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 767 A C 1.958 179.570 177.584 0.046 0.000 1.169 767 A CA 1.560 53.615 52.037 0.030 0.000 0.638 767 A CB -1.003 18.169 19.000 0.287 0.000 0.812 767 A HN 0.082 nan 8.150 nan 0.000 0.446 768 D N -0.277 120.133 120.400 0.017 0.000 2.144 768 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 768 D C 2.155 178.435 176.300 -0.033 0.000 0.978 768 D CA 1.625 55.620 54.000 -0.008 0.000 0.833 768 D CB -0.428 40.354 40.800 -0.031 0.000 0.961 768 D HN 0.350 nan 8.370 nan 0.000 0.470 769 V N 0.866 120.736 119.914 -0.074 0.000 2.515 769 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 769 V C 1.799 177.873 176.094 -0.033 0.000 1.058 769 V CA 1.607 63.866 62.300 -0.068 0.000 1.064 769 V CB -0.340 31.424 31.823 -0.098 0.000 0.675 769 V HN 0.082 nan 8.190 nan 0.000 0.461 770 E N 0.415 120.612 120.200 -0.005 0.000 2.070 770 E HA -0.305 4.045 4.350 -0.000 0.000 0.197 770 E C 2.402 179.012 176.600 0.016 0.000 1.004 770 E CA 1.874 58.291 56.400 0.029 0.000 0.805 770 E CB -0.371 29.381 29.700 0.085 0.000 0.744 770 E HN 0.628 nan 8.360 nan 0.000 0.451 771 R N 0.802 121.311 120.500 0.015 0.000 2.115 771 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 771 R C 2.419 178.712 176.300 -0.011 0.000 1.111 771 R CA 0.621 56.725 56.100 0.007 0.000 0.976 771 R CB -0.110 30.197 30.300 0.012 0.000 0.870 771 R HN 0.189 nan 8.270 nan 0.000 0.445 772 L N 1.068 122.278 121.223 -0.021 0.000 2.072 772 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 772 L C 2.115 178.960 176.870 -0.042 0.000 1.079 772 L CA 1.805 56.624 54.840 -0.035 0.000 0.752 772 L CB -0.744 41.290 42.059 -0.041 0.000 0.906 772 L HN 0.241 nan 8.230 nan 0.000 0.436 773 Q N 0.059 119.835 119.800 -0.040 0.000 2.170 773 Q HA -0.192 4.148 4.340 -0.000 0.000 0.203 773 Q C 2.239 178.213 176.000 -0.044 0.000 0.976 773 Q CA 1.609 57.382 55.803 -0.050 0.000 0.858 773 Q CB -0.007 28.701 28.738 -0.051 0.000 0.907 773 Q HN 0.383 nan 8.270 nan 0.000 0.433 774 R N -0.549 119.936 120.500 -0.025 0.000 2.120 774 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 774 R C 2.071 178.356 176.300 -0.026 0.000 1.123 774 R CA 1.307 57.398 56.100 -0.015 0.000 0.975 774 R CB -0.072 30.227 30.300 -0.001 0.000 0.866 774 R HN 0.388 nan 8.270 nan 0.000 0.446 775 Q N 0.592 120.368 119.800 -0.039 0.000 2.187 775 Q HA -0.009 4.331 4.340 -0.000 0.000 0.199 775 Q C 2.273 178.225 176.000 -0.080 0.000 0.957 775 Q CA 0.903 56.673 55.803 -0.054 0.000 0.857 775 Q CB -0.162 28.541 28.738 -0.058 0.000 0.929 775 Q HN 0.385 nan 8.270 nan 0.000 0.453 776 L N 0.123 121.296 121.223 -0.083 0.000 2.093 776 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 776 L C 2.378 179.201 176.870 -0.077 0.000 1.085 776 L CA 0.603 55.383 54.840 -0.100 0.000 0.755 776 L CB -0.522 41.483 42.059 -0.090 0.000 0.904 776 L HN 0.015 nan 8.230 nan 0.000 0.435 777 V N 0.046 119.929 119.914 -0.052 0.000 2.287 777 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 777 V C 2.551 178.634 176.094 -0.018 0.000 1.053 777 V CA 1.747 64.035 62.300 -0.020 0.000 1.027 777 V CB -0.514 31.311 31.823 0.004 0.000 0.646 777 V HN 0.414 nan 8.190 nan 0.000 0.447 778 K N 0.024 120.407 120.400 -0.028 0.000 2.020 778 K HA -0.233 4.087 4.320 -0.000 0.000 0.212 778 K C 2.085 178.662 176.600 -0.038 0.000 1.050 778 K CA 2.105 58.376 56.287 -0.027 0.000 0.929 778 K CB -0.516 31.965 32.500 -0.030 0.000 0.714 778 K HN 0.547 nan 8.250 nan 0.000 0.443 779 L N -1.328 119.848 121.223 -0.078 0.000 2.376 779 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 779 L C 1.739 178.580 176.870 -0.049 0.000 1.133 779 L CA 1.130 55.910 54.840 -0.100 0.000 0.816 779 L CB -0.273 41.635 42.059 -0.252 0.000 0.933 779 L HN -0.188 nan 8.230 nan 0.000 0.449 780 V N -0.003 119.890 119.914 -0.035 0.000 2.649 780 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 780 V C 2.118 178.216 176.094 0.007 0.000 1.054 780 V CA 1.417 63.716 62.300 -0.003 0.000 1.073 780 V CB -0.712 31.113 31.823 0.003 0.000 0.699 780 V HN 0.384 nan 8.190 nan 0.000 0.463 781 D N 1.141 121.544 120.400 0.005 0.000 2.221 781 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 781 D C 2.149 178.455 176.300 0.009 0.000 0.982 781 D CA 1.568 55.574 54.000 0.009 0.000 0.857 781 D CB -0.124 40.682 40.800 0.010 0.000 0.934 781 D HN 0.459 nan 8.370 nan 0.000 0.475 782 A N -0.207 122.618 122.820 0.009 0.000 2.121 782 A HA 0.256 4.576 4.320 -0.000 0.000 0.218 782 A C 1.741 179.337 177.584 0.021 0.000 1.154 782 A CA 1.474 53.521 52.037 0.016 0.000 0.679 782 A CB -0.174 18.839 19.000 0.022 0.000 0.795 782 A HN 0.298 nan 8.150 nan 0.000 0.458 783 G N -1.120 107.692 108.800 0.020 0.000 2.145 783 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.176 783 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.176 783 G C -0.324 174.594 174.900 0.030 0.000 1.013 783 G CA 0.052 45.161 45.100 0.016 0.000 0.689 783 G HN 0.617 nan 8.290 nan 0.000 0.506 784 N N -0.278 118.455 118.700 0.055 0.000 2.483 784 N HA 0.742 5.482 4.740 -0.000 0.000 0.285 784 N C -0.073 175.489 175.510 0.087 0.000 1.210 784 N CA 0.028 53.144 53.050 0.110 0.000 0.931 784 N CB 1.569 40.207 38.487 0.251 0.000 1.220 784 N HN 0.307 nan 8.380 nan 0.000 0.542 785 T N -1.672 112.948 114.554 0.109 0.000 2.809 785 T HA 0.445 4.795 4.350 -0.000 0.000 0.284 785 T C -0.854 173.915 174.700 0.114 0.000 0.992 785 T CA -0.792 61.346 62.100 0.063 0.000 0.957 785 T CB 0.422 69.289 68.868 -0.001 0.000 0.942 785 T HN 0.302 nan 8.240 nan 0.000 0.439 786 V N 6.360 126.322 119.914 0.081 0.000 2.394 786 V HA 0.705 4.825 4.120 -0.000 0.000 0.282 786 V C -0.760 175.362 176.094 0.047 0.000 1.031 786 V CA -0.869 61.479 62.300 0.080 0.000 0.881 786 V CB 0.478 32.318 31.823 0.028 0.000 0.982 786 V HN 0.948 nan 8.190 nan 0.000 0.451 787 I N 6.889 127.477 120.570 0.029 0.000 2.389 787 I HA 0.742 4.912 4.170 -0.000 0.000 0.288 787 I C 0.154 176.280 176.117 0.014 0.000 0.999 787 I CA -0.552 60.755 61.300 0.013 0.000 1.129 787 I CB 1.725 39.665 38.000 -0.100 0.000 1.288 787 I HN 0.804 nan 8.210 nan 0.000 0.444 788 A N 6.195 129.032 122.820 0.029 0.000 2.332 788 A HA 0.549 4.869 4.320 -0.000 0.000 0.300 788 A C -0.535 177.048 177.584 -0.002 0.000 1.153 788 A CA -0.608 51.435 52.037 0.010 0.000 0.764 788 A CB 1.482 20.482 19.000 0.001 0.000 1.174 788 A HN 0.597 nan 8.150 nan 0.000 0.467 789 V N 1.956 121.860 119.914 -0.016 0.000 2.485 789 V HA 0.532 4.652 4.120 -0.000 0.000 0.287 789 V C -0.216 175.775 176.094 -0.172 0.000 1.022 789 V CA 0.633 62.890 62.300 -0.072 0.000 1.067 789 V CB 0.776 32.572 31.823 -0.045 0.000 0.967 789 V HN 0.942 nan 8.190 nan 0.000 0.479 790 E N 3.806 123.834 120.200 -0.286 0.000 2.314 790 E HA 0.504 4.854 4.350 -0.000 0.000 0.272 790 E C -0.591 175.767 176.600 -0.404 0.000 0.884 790 E CA -0.437 55.805 56.400 -0.263 0.000 0.753 790 E CB 1.924 31.562 29.700 -0.104 0.000 1.213 790 E HN 0.828 nan 8.360 nan 0.000 0.432 791 H N 1.529 120.586 119.070 -0.022 0.000 3.058 791 H HA 0.269 4.825 4.556 -0.000 0.000 0.258 791 H C -0.349 174.914 175.328 -0.108 0.000 1.015 791 H CA -0.155 55.865 56.048 -0.048 0.000 1.210 791 H CB 0.648 30.390 29.762 -0.033 0.000 1.481 791 H HN 0.272 nan 8.280 nan 0.000 0.492 792 K N 0.763 121.168 120.400 0.008 0.000 2.221 792 K HA 0.280 4.600 4.320 -0.000 0.000 0.258 792 K C 0.099 176.668 176.600 -0.052 0.000 0.944 792 K CA -0.708 55.553 56.287 -0.043 0.000 0.823 792 K CB 1.733 34.210 32.500 -0.038 0.000 1.113 792 K HN -0.145 nan 8.250 nan 0.000 0.431 793 M N 1.430 120.996 119.600 -0.057 0.000 2.476 793 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 793 M C 2.021 178.308 176.300 -0.021 0.000 1.079 793 M CA 1.335 56.615 55.300 -0.034 0.000 1.104 793 M CB -1.089 31.504 32.600 -0.011 0.000 1.409 793 M HN 0.919 nan 8.290 nan 0.000 0.467 794 Q N 0.362 120.148 119.800 -0.023 0.000 2.061 794 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 794 Q C 1.870 177.854 176.000 -0.026 0.000 0.984 794 Q CA 1.739 57.533 55.803 -0.015 0.000 0.846 794 Q CB 0.214 28.936 28.738 -0.026 0.000 0.902 794 Q HN 0.339 nan 8.270 nan 0.000 0.421 795 V N -0.232 119.658 119.914 -0.039 0.000 2.535 795 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 795 V C 2.224 178.290 176.094 -0.048 0.000 1.045 795 V CA 0.997 63.268 62.300 -0.048 0.000 1.058 795 V CB 0.128 31.923 31.823 -0.048 0.000 0.689 795 V HN 0.224 nan 8.190 nan 0.000 0.461 796 V N 0.637 120.529 119.914 -0.037 0.000 2.626 796 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 796 V C 2.580 178.662 176.094 -0.021 0.000 1.067 796 V CA 1.743 64.026 62.300 -0.028 0.000 1.081 796 V CB -0.969 30.838 31.823 -0.026 0.000 0.686 796 V HN 0.545 nan 8.190 nan 0.000 0.468 797 A N -0.375 122.432 122.820 -0.021 0.000 2.119 797 A HA 0.260 4.580 4.320 -0.000 0.000 0.217 797 A C 2.007 179.589 177.584 -0.003 0.000 1.153 797 A CA 1.334 53.365 52.037 -0.010 0.000 0.692 797 A CB -0.241 18.752 19.000 -0.012 0.000 0.799 797 A HN 0.574 nan 8.150 nan 0.000 0.458 798 A N -0.651 122.136 122.820 -0.055 0.000 2.503 798 A HA 0.537 4.857 4.320 -0.000 0.000 0.263 798 A C 0.881 178.266 177.584 -0.333 0.000 1.258 798 A CA 0.054 51.986 52.037 -0.175 0.000 0.936 798 A CB -0.104 18.774 19.000 -0.204 0.000 1.070 798 A HN 0.265 nan 8.150 nan 0.000 0.522 799 S N 0.239 115.876 115.700 -0.105 0.000 2.617 799 S HA 0.129 4.599 4.470 -0.000 0.000 0.259 799 S C 0.384 175.055 174.600 0.119 0.000 1.301 799 S CA -0.107 58.077 58.200 -0.028 0.000 0.984 799 S CB 0.439 63.658 63.200 0.032 0.000 0.954 799 S HN 0.486 nan 8.310 nan 0.000 0.572 800 D N -1.140 119.376 120.400 0.193 0.000 2.388 800 D HA 0.105 4.745 4.640 -0.000 0.000 0.208 800 D C -0.029 176.477 176.300 0.344 0.000 1.035 800 D CA 0.422 54.589 54.000 0.278 0.000 0.875 800 D CB 0.478 41.424 40.800 0.243 0.000 0.984 800 D HN 0.466 nan 8.370 nan 0.000 0.508 801 W N 0.857 122.196 121.300 0.065 0.000 3.075 801 W HA 0.428 5.088 4.660 0.000 0.000 0.334 801 W C -2.024 174.535 176.519 0.068 0.000 1.243 801 W CA -0.507 56.881 57.345 0.073 0.000 1.170 801 W CB 1.912 31.417 29.460 0.074 0.000 1.452 801 W HN -0.509 nan 8.180 nan 0.000 0.572 802 V N 4.051 123.778 119.914 -0.313 0.000 2.808 802 V HA 0.384 4.504 4.120 -0.000 0.000 0.308 802 V C -1.085 174.926 176.094 -0.137 0.000 1.099 802 V CA -0.763 61.455 62.300 -0.137 0.000 0.920 802 V CB 2.031 33.767 31.823 -0.146 0.000 1.014 802 V HN 0.291 nan 8.190 nan 0.000 0.425 803 L N 3.391 124.638 121.223 0.040 0.000 2.318 803 L HA 0.528 4.868 4.340 -0.000 0.000 0.277 803 L C -0.453 176.431 176.870 0.023 0.000 1.008 803 L CA 0.016 54.887 54.840 0.053 0.000 0.846 803 L CB 1.260 43.392 42.059 0.121 0.000 1.220 803 L HN 0.648 nan 8.230 nan 0.000 0.423 804 D N 3.390 123.786 120.400 -0.007 0.000 2.295 804 D HA 0.371 5.011 4.640 -0.000 0.000 0.248 804 D C -0.492 175.806 176.300 -0.003 0.000 1.154 804 D CA -0.163 53.836 54.000 -0.001 0.000 0.857 804 D CB 0.779 41.573 40.800 -0.009 0.000 1.117 804 D HN 0.096 nan 8.370 nan 0.000 0.468 805 I N 2.830 123.398 120.570 -0.002 0.000 2.412 805 I HA 0.439 4.609 4.170 -0.000 0.000 0.296 805 I C 1.172 177.272 176.117 -0.029 0.000 0.987 805 I CA -0.510 60.785 61.300 -0.009 0.000 1.180 805 I CB 0.624 38.626 38.000 0.004 0.000 1.340 805 I HN 0.632 nan 8.210 nan 0.000 0.455 806 G N 7.826 116.609 108.800 -0.028 0.000 3.583 806 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.587 806 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.587 806 G C -2.209 172.662 174.900 -0.048 0.000 1.488 806 G CA -0.728 44.351 45.100 -0.036 0.000 1.278 806 G HN 0.469 nan 8.290 nan 0.000 0.587 807 P HA 0.022 nan 4.420 nan 0.000 0.211 807 P C 1.654 178.918 177.300 -0.060 0.000 1.179 807 P CA 2.294 65.369 63.100 -0.042 0.000 0.910 807 P CB 0.012 31.697 31.700 -0.025 0.000 0.785 808 G N -1.933 106.837 108.800 -0.051 0.000 3.122 808 G HA2 0.637 4.597 3.960 -0.000 0.000 0.180 808 G HA3 0.637 4.597 3.960 -0.000 0.000 0.180 808 G C -1.149 173.704 174.900 -0.079 0.000 1.279 808 G CA -0.061 45.004 45.100 -0.058 0.000 0.987 808 G HN 0.306 nan 8.290 nan 0.000 0.589 809 A N -2.015 120.765 122.820 -0.067 0.000 2.294 809 A HA 0.768 5.088 4.320 -0.000 0.000 0.330 809 A C 1.145 178.710 177.584 -0.033 0.000 1.133 809 A CA 0.852 52.812 52.037 -0.129 0.000 0.836 809 A CB 0.388 19.296 19.000 -0.153 0.000 1.190 809 A HN 2.532 nan 8.150 nan 0.000 0.492 810 G N 0.369 109.143 108.800 -0.044 0.000 2.596 810 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.304 810 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.304 810 G C 0.973 175.896 174.900 0.038 0.000 1.189 810 G CA 0.698 45.836 45.100 0.062 0.000 0.986 810 G HN 0.791 nan 8.290 nan 0.000 0.548 811 E N 0.816 121.048 120.200 0.053 0.000 2.150 811 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 811 E C 1.927 178.541 176.600 0.023 0.000 0.985 811 E CA 1.293 57.715 56.400 0.037 0.000 0.814 811 E CB -0.193 29.532 29.700 0.042 0.000 0.752 811 E HN 0.543 nan 8.360 nan 0.000 0.466 812 D N -0.101 120.312 120.400 0.022 0.000 2.363 812 D HA -0.002 4.638 4.640 -0.000 0.000 0.220 812 D C 0.901 177.196 176.300 -0.008 0.000 0.994 812 D CA 0.366 54.372 54.000 0.010 0.000 0.890 812 D CB 0.327 41.136 40.800 0.015 0.000 0.906 812 D HN 0.078 nan 8.370 nan 0.000 0.530 813 G N -1.319 107.471 108.800 -0.016 0.000 3.119 813 G HA2 0.460 4.420 3.960 -0.000 0.000 0.206 813 G HA3 0.460 4.420 3.960 -0.000 0.000 0.206 813 G C 0.703 175.591 174.900 -0.019 0.000 1.313 813 G CA 0.025 45.106 45.100 -0.031 0.000 1.010 813 G HN 0.115 nan 8.290 nan 0.000 0.578 814 G N -1.602 107.185 108.800 -0.022 0.000 2.176 814 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.232 814 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.232 814 G C 0.457 175.354 174.900 -0.006 0.000 0.986 814 G CA 0.355 45.449 45.100 -0.009 0.000 0.643 814 G HN 0.651 nan 8.290 nan 0.000 0.522 815 R N -0.539 119.954 120.500 -0.011 0.000 2.540 815 R HA 0.625 4.965 4.340 -0.000 0.000 0.287 815 R C -0.165 176.127 176.300 -0.013 0.000 0.980 815 R CA -0.998 55.096 56.100 -0.011 0.000 0.966 815 R CB 1.434 31.726 30.300 -0.012 0.000 1.106 815 R HN 0.163 nan 8.270 nan 0.000 0.480 816 L N 3.381 124.596 121.223 -0.014 0.000 2.433 816 L HA 0.060 4.400 4.340 -0.000 0.000 0.275 816 L C 0.295 177.155 176.870 -0.016 0.000 1.128 816 L CA 0.637 55.467 54.840 -0.016 0.000 0.875 816 L CB 1.221 43.267 42.059 -0.022 0.000 1.171 816 L HN 0.519 nan 8.230 nan 0.000 0.463 817 V N 4.830 124.733 119.914 -0.018 0.000 3.645 817 V HA 0.654 4.774 4.120 -0.000 0.000 0.275 817 V C 0.451 176.530 176.094 -0.024 0.000 1.356 817 V CA 0.731 63.019 62.300 -0.020 0.000 1.051 817 V CB 0.298 32.108 31.823 -0.021 0.000 0.828 817 V HN 0.967 nan 8.190 nan 0.000 0.441 818 A N 0.465 123.268 122.820 -0.029 0.000 2.599 818 A HA 0.743 5.063 4.320 -0.000 0.000 0.294 818 A C -1.329 176.217 177.584 -0.063 0.000 1.055 818 A CA -0.457 51.552 52.037 -0.047 0.000 0.683 818 A CB 1.421 20.389 19.000 -0.054 0.000 1.278 818 A HN 0.319 nan 8.150 nan 0.000 0.412 819 Q N 0.862 120.601 119.800 -0.101 0.000 2.391 819 Q HA 0.747 5.087 4.340 -0.000 0.000 0.279 819 Q C -0.243 175.492 176.000 -0.442 0.000 1.028 819 Q CA -0.539 55.161 55.803 -0.172 0.000 0.836 819 Q CB 1.924 30.713 28.738 0.085 0.000 1.414 819 Q HN 2.600 nan 8.270 nan 0.000 0.397 820 G N 0.694 108.774 108.800 -1.199 0.000 2.362 820 G HA2 0.229 4.189 3.960 -0.000 0.000 0.288 820 G HA3 0.229 4.189 3.960 -0.000 0.000 0.288 820 G C -0.657 173.416 174.900 -1.379 0.000 1.305 820 G CA -0.276 43.867 45.100 -1.594 0.000 0.910 820 G HN 1.055 nan 8.290 nan 0.000 0.518 821 T N -0.512 113.638 114.554 -0.674 0.000 2.802 821 T HA 0.477 4.827 4.350 -0.000 0.000 0.305 821 T C -1.241 173.340 174.700 -0.198 0.000 1.053 821 T CA -0.144 61.813 62.100 -0.238 0.000 1.058 821 T CB 1.369 70.217 68.868 -0.033 0.000 0.988 821 T HN 0.245 nan 8.240 nan 0.000 0.539 822 P HA -0.088 nan 4.420 nan 0.000 0.215 822 P C 1.756 179.018 177.300 -0.063 0.000 1.157 822 P CA 1.688 64.749 63.100 -0.065 0.000 0.874 822 P CB -0.406 31.287 31.700 -0.011 0.000 0.790 823 A N -0.225 122.569 122.820 -0.043 0.000 1.908 823 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 823 A C 2.195 179.746 177.584 -0.055 0.000 1.181 823 A CA 1.891 53.905 52.037 -0.038 0.000 0.627 823 A CB -1.303 17.684 19.000 -0.022 0.000 0.818 823 A HN 0.185 nan 8.150 nan 0.000 0.445 824 E N -0.558 119.593 120.200 -0.082 0.000 2.031 824 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 824 E C 1.907 178.444 176.600 -0.106 0.000 0.994 824 E CA 1.406 57.748 56.400 -0.097 0.000 0.800 824 E CB -0.245 29.372 29.700 -0.139 0.000 0.752 824 E HN 0.359 nan 8.360 nan 0.000 0.447 825 V N 1.168 120.997 119.914 -0.141 0.000 2.720 825 V HA -0.211 3.909 4.120 -0.000 0.000 0.256 825 V C 2.058 178.113 176.094 -0.065 0.000 1.082 825 V CA 1.505 63.734 62.300 -0.118 0.000 1.101 825 V CB -0.573 31.160 31.823 -0.150 0.000 0.693 825 V HN 0.300 nan 8.190 nan 0.000 0.479 826 A N -0.994 121.793 122.820 -0.055 0.000 2.168 826 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 826 A C 1.996 179.560 177.584 -0.033 0.000 1.152 826 A CA 0.854 52.870 52.037 -0.034 0.000 0.716 826 A CB -0.109 18.872 19.000 -0.031 0.000 0.794 826 A HN 0.542 nan 8.150 nan 0.000 0.465 827 Q N -0.871 118.905 119.800 -0.039 0.000 2.189 827 Q HA 0.342 4.682 4.340 -0.000 0.000 0.223 827 Q C 0.594 176.574 176.000 -0.033 0.000 0.828 827 Q CA 0.513 56.296 55.803 -0.034 0.000 0.967 827 Q CB -0.006 28.712 28.738 -0.033 0.000 1.139 827 Q HN 0.535 nan 8.270 nan 0.000 0.497 828 A N 1.444 124.242 122.820 -0.037 0.000 2.498 828 A HA 0.484 4.804 4.320 -0.000 0.000 0.239 828 A C 0.182 177.751 177.584 -0.024 0.000 1.068 828 A CA 0.338 52.354 52.037 -0.035 0.000 0.766 828 A CB 0.238 19.212 19.000 -0.045 0.000 1.003 828 A HN 0.248 nan 8.150 nan 0.000 0.497 829 A N 1.225 124.032 122.820 -0.022 0.000 2.304 829 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 829 A C 1.269 178.844 177.584 -0.015 0.000 1.132 829 A CA 0.216 52.243 52.037 -0.017 0.000 0.819 829 A CB -0.090 18.900 19.000 -0.016 0.000 1.094 829 A HN 2.767 nan 8.150 nan 0.000 0.492 830 G N 0.477 109.270 108.800 -0.011 0.000 2.273 830 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.280 830 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.280 830 G C 0.209 175.104 174.900 -0.009 0.000 1.047 830 G CA 0.710 45.804 45.100 -0.010 0.000 0.869 830 G HN 1.486 nan 8.290 nan 0.000 0.502 831 S N -1.733 113.965 115.700 -0.003 0.000 2.500 831 S HA 0.601 5.071 4.470 -0.000 0.000 0.301 831 S C 0.984 175.603 174.600 0.032 0.000 1.092 831 S CA -0.005 58.199 58.200 0.007 0.000 1.030 831 S CB 2.111 65.316 63.200 0.008 0.000 1.031 831 S HN 0.576 nan 8.310 nan 0.000 0.483 832 V N 4.101 124.037 119.914 0.037 0.000 3.174 832 V HA 0.009 4.129 4.120 -0.000 0.000 0.254 832 V C 2.588 178.846 176.094 0.274 0.000 1.120 832 V CA 1.902 64.255 62.300 0.089 0.000 1.114 832 V CB 0.145 31.963 31.823 -0.008 0.000 0.756 832 V HN 1.021 nan 8.190 nan 0.000 0.467 833 T N -1.221 113.495 114.554 0.271 0.000 3.043 833 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 833 T C 1.893 176.742 174.700 0.249 0.000 1.094 833 T CA 1.308 63.657 62.100 0.414 0.000 1.127 833 T CB -0.011 69.069 68.868 0.354 0.000 0.905 833 T HN 0.384 nan 8.240 nan 0.000 0.490 834 A N 3.436 126.333 122.820 0.127 0.000 1.859 834 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 834 A C 0.567 178.160 177.584 0.017 0.000 1.209 834 A CA 1.873 53.939 52.037 0.047 0.000 0.639 834 A CB -1.814 17.192 19.000 0.010 0.000 0.835 834 A HN 0.560 nan 8.150 nan 0.000 0.450 835 P HA -0.206 nan 4.420 nan 0.000 0.216 835 P C 1.053 178.228 177.300 -0.207 0.000 1.154 835 P CA 1.761 64.758 63.100 -0.172 0.000 0.865 835 P CB -0.345 31.168 31.700 -0.313 0.000 0.789 836 Y N -0.839 119.469 120.300 0.012 0.000 2.263 836 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 836 Y C 2.810 178.695 175.900 -0.024 0.000 1.130 836 Y CA 0.495 58.589 58.100 -0.010 0.000 1.179 836 Y CB -0.991 37.451 38.460 -0.030 0.000 0.998 836 Y HN -0.168 nan 8.280 nan 0.000 0.532 837 L N 0.052 121.346 121.223 0.119 0.000 2.046 837 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 837 L C 2.751 179.630 176.870 0.015 0.000 1.077 837 L CA 1.420 56.289 54.840 0.048 0.000 0.747 837 L CB -0.305 41.772 42.059 0.029 0.000 0.896 837 L HN 0.219 nan 8.230 nan 0.000 0.432 838 R N -0.235 120.263 120.500 -0.002 0.000 2.083 838 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 838 R C 2.195 178.482 176.300 -0.022 0.000 1.137 838 R CA 1.595 57.682 56.100 -0.023 0.000 0.951 838 R CB -0.286 29.990 30.300 -0.040 0.000 0.851 838 R HN 0.448 nan 8.270 nan 0.000 0.434 839 A N 0.599 123.406 122.820 -0.021 0.000 1.940 839 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 839 A C 2.312 179.903 177.584 0.012 0.000 1.176 839 A CA 1.735 53.769 52.037 -0.006 0.000 0.631 839 A CB -0.657 18.343 19.000 -0.001 0.000 0.814 839 A HN 0.548 nan 8.150 nan 0.000 0.446 840 A N -0.724 122.107 122.820 0.019 0.000 1.969 840 A HA 0.210 4.529 4.320 -0.000 0.000 0.218 840 A C 1.066 178.634 177.584 -0.027 0.000 1.169 840 A CA 0.501 52.544 52.037 0.010 0.000 0.635 840 A CB -0.417 18.592 19.000 0.015 0.000 0.810 840 A HN 0.437 nan 8.150 nan 0.000 0.445 841 L N 1.318 122.523 121.223 -0.029 0.000 2.331 841 L HA 0.390 4.730 4.340 -0.000 0.000 0.278 841 L C 0.592 177.423 176.870 -0.065 0.000 1.106 841 L CA -0.367 54.445 54.840 -0.046 0.000 0.824 841 L CB 0.581 42.623 42.059 -0.030 0.000 1.142 841 L HN 0.552 nan 8.230 nan 0.000 0.443 842 R N 0.000 120.438 120.500 -0.103 0.000 2.786 842 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 842 R CA 0.000 56.034 56.100 -0.110 0.000 0.921 842 R CB 0.000 30.218 30.300 -0.136 0.000 0.687 842 R HN 0.000 nan 8.270 nan 0.000 0.535