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 2ajt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTIFDNYEVW FVIGSQHLYG PETLRQVTQH AEHVVNALNT EAKLPCKLVL DATA SEQUENCE KPLGTTPDEI TAICRDANYD DPCAGLVVWL HTFSPAKMWI NGLTMLNKPL DATA SEQUENCE LQFHTQFNAA LPWDSIDMDF MNLNQTAHGG REFGFIGARM RQQHAVVTGH DATA SEQUENCE WQDKQAHERI GSWMRQAVSK QDTRHLKVCR FGDNMREVAV TDGDKVAAQI DATA SEQUENCE KFGFSVNTWA VGDLVQVVNS ISDGDVNALV DEYESCYTMT PATQIHGEKR DATA SEQUENCE QNVLEAARIE LGMKRFLEQG GFHAFTTTFE DLHGLKQLPG LAVQRLMQQG DATA SEQUENCE YGFAGEGDWK TAALLRIMKV MSTGLQGGTS FMEDYTYHFE KGNDLVLGSH DATA SEQUENCE MLEVCPSIAV EEKPILDVQH LGIGGKDDPA RLIFNTQTGP AIVASLIDLG DATA SEQUENCE DRYRLLVNCI DTVKTPHSLP KLPVANALWK AQPDLPTASE AWILAGGAHH DATA SEQUENCE TVFSHALNLN DMRQFAEMHD IEITVIDNDT RLPAFKDALR WNEVYYGF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 T N 1.983 116.576 114.554 0.065 0.000 2.943 2 T HA 0.479 4.827 4.350 -0.002 0.000 0.284 2 T C 0.986 175.720 174.700 0.056 0.000 1.015 2 T CA -0.497 61.648 62.100 0.076 0.000 1.042 2 T CB 1.892 70.862 68.868 0.170 0.000 1.055 2 T HN 0.419 nan 8.240 nan 0.000 0.500 3 I N -1.408 119.151 120.570 -0.018 0.000 3.251 3 I HA 0.180 4.349 4.170 -0.002 0.000 0.277 3 I C 1.555 177.715 176.117 0.072 0.000 1.268 3 I CA 0.934 62.222 61.300 -0.020 0.000 1.449 3 I CB -0.551 37.417 38.000 -0.053 0.000 1.083 3 I HN 0.533 nan 8.210 nan 0.000 0.464 4 F N 2.002 122.045 119.950 0.155 0.000 2.269 4 F HA -0.183 4.342 4.527 -0.002 0.000 0.301 4 F C 2.099 177.992 175.800 0.155 0.000 1.082 4 F CA 1.179 59.286 58.000 0.178 0.000 1.360 4 F CB -0.359 38.700 39.000 0.097 0.000 1.041 4 F HN 0.213 nan 8.300 nan 0.000 0.512 5 D N 0.000 120.554 120.400 0.256 0.000 2.310 5 D HA -0.127 4.512 4.640 -0.002 0.000 0.212 5 D C 0.871 177.212 176.300 0.069 0.000 0.965 5 D CA 0.940 55.027 54.000 0.144 0.000 0.879 5 D CB -0.518 40.336 40.800 0.090 0.000 0.921 5 D HN 0.515 nan 8.370 nan 0.000 0.510 6 N N -0.797 117.903 118.700 -0.001 0.000 2.383 6 N HA 0.013 4.751 4.740 -0.002 0.000 0.192 6 N C -0.475 174.772 175.510 -0.437 0.000 1.141 6 N CA 0.167 53.076 53.050 -0.235 0.000 0.851 6 N CB 0.275 38.526 38.487 -0.394 0.000 0.976 6 N HN 0.134 nan 8.380 nan 0.000 0.465 7 Y N 0.356 120.720 120.300 0.106 0.000 2.605 7 Y HA 0.477 5.026 4.550 -0.002 0.000 0.343 7 Y C -0.307 175.687 175.900 0.156 0.000 1.036 7 Y CA -1.133 57.041 58.100 0.123 0.000 1.065 7 Y CB 1.671 40.206 38.460 0.126 0.000 1.288 7 Y HN -0.150 nan 8.280 nan 0.000 0.481 8 E N 0.470 120.892 120.200 0.371 0.000 2.367 8 E HA 0.674 5.022 4.350 -0.002 0.000 0.273 8 E C -1.727 175.091 176.600 0.363 0.000 0.903 8 E CA -1.155 55.456 56.400 0.350 0.000 0.764 8 E CB 2.927 32.877 29.700 0.418 0.000 1.252 8 E HN 0.354 nan 8.360 nan 0.000 0.446 9 V N -0.887 119.251 119.914 0.374 0.000 2.459 9 V HA 0.527 4.646 4.120 -0.002 0.000 0.295 9 V C -0.964 175.479 176.094 0.581 0.000 1.029 9 V CA -1.016 61.530 62.300 0.409 0.000 0.874 9 V CB 0.595 32.649 31.823 0.385 0.000 0.985 9 V HN 0.568 nan 8.190 nan 0.000 0.438 10 W N 3.440 124.883 121.300 0.239 0.000 2.316 10 W HA 0.554 5.213 4.660 -0.002 0.000 0.311 10 W C -0.288 176.391 176.519 0.266 0.000 1.217 10 W CA -1.517 55.963 57.345 0.226 0.000 1.199 10 W CB 0.921 30.491 29.460 0.183 0.000 1.202 10 W HN 0.611 nan 8.180 nan 0.000 0.528 11 F N 4.896 125.021 119.950 0.292 0.000 2.371 11 F HA 0.450 4.976 4.527 -0.002 0.000 0.363 11 F C -0.054 175.877 175.800 0.218 0.000 1.122 11 F CA -1.015 57.123 58.000 0.229 0.000 1.129 11 F CB 0.451 39.554 39.000 0.172 0.000 1.173 11 F HN 0.022 nan 8.300 nan 0.000 0.489 12 V N 5.066 124.946 119.914 -0.057 0.000 2.409 12 V HA 0.540 4.659 4.120 -0.002 0.000 0.291 12 V C -0.346 175.730 176.094 -0.030 0.000 1.020 12 V CA -0.951 61.389 62.300 0.066 0.000 0.848 12 V CB 1.165 33.115 31.823 0.212 0.000 0.990 12 V HN 0.493 nan 8.190 nan 0.000 0.430 13 I N 4.254 124.854 120.570 0.051 0.000 2.365 13 I HA 0.651 4.820 4.170 -0.002 0.000 0.291 13 I C 1.070 177.242 176.117 0.092 0.000 1.004 13 I CA 0.368 61.673 61.300 0.009 0.000 1.311 13 I CB 1.525 39.520 38.000 -0.009 0.000 1.401 13 I HN 0.873 nan 8.210 nan 0.000 0.491 14 G N 3.600 112.440 108.800 0.067 0.000 2.319 14 G HA2 0.589 4.548 3.960 -0.002 0.000 0.308 14 G HA3 0.589 4.548 3.960 -0.002 0.000 0.308 14 G C -0.411 174.551 174.900 0.104 0.000 1.117 14 G CA -0.044 45.218 45.100 0.271 0.000 0.903 14 G HN 0.605 nan 8.290 nan 0.000 0.436 15 S N 1.117 116.884 115.700 0.112 0.000 3.127 15 S HA 0.542 5.010 4.470 -0.002 0.000 0.314 15 S C -1.548 172.996 174.600 -0.092 0.000 1.238 15 S CA -0.524 57.690 58.200 0.024 0.000 1.074 15 S CB 1.026 64.260 63.200 0.056 0.000 1.417 15 S HN 0.645 nan 8.310 nan 0.000 0.597 16 Q N -0.506 119.095 119.800 -0.332 0.000 2.323 16 Q HA 0.478 4.816 4.340 -0.002 0.000 0.271 16 Q C 0.536 176.297 176.000 -0.397 0.000 1.048 16 Q CA -0.034 55.533 55.803 -0.393 0.000 0.792 16 Q CB 1.322 29.771 28.738 -0.481 0.000 1.280 16 Q HN 0.998 nan 8.270 nan 0.000 0.441 17 H N 3.940 122.888 119.070 -0.204 0.000 2.518 17 H HA 0.030 4.585 4.556 -0.002 0.000 0.289 17 H C 1.159 176.432 175.328 -0.090 0.000 1.051 17 H CA 1.401 57.377 56.048 -0.120 0.000 1.280 17 H CB -0.081 29.634 29.762 -0.079 0.000 1.380 17 H HN 0.586 nan 8.280 nan 0.000 0.566 18 L N -0.295 120.849 121.223 -0.131 0.000 2.599 18 L HA 0.032 4.371 4.340 -0.002 0.000 0.230 18 L C 1.725 178.654 176.870 0.100 0.000 1.141 18 L CA 0.144 54.970 54.840 -0.024 0.000 0.877 18 L CB -0.276 41.781 42.059 -0.004 0.000 1.009 18 L HN 0.628 nan 8.230 nan 0.000 0.447 19 Y N 0.444 120.768 120.300 0.040 0.000 2.117 19 Y HA 0.095 4.643 4.550 -0.002 0.000 0.277 19 Y C 1.459 177.373 175.900 0.023 0.000 1.104 19 Y CA 0.131 58.254 58.100 0.038 0.000 1.089 19 Y CB 0.040 38.521 38.460 0.034 0.000 0.999 19 Y HN 0.171 nan 8.280 nan 0.000 0.480 20 G N -2.143 106.781 108.800 0.207 0.000 2.361 20 G HA2 0.146 4.105 3.960 -0.002 0.000 0.299 20 G HA3 0.146 4.105 3.960 -0.002 0.000 0.299 20 G C -2.667 172.275 174.900 0.070 0.000 1.544 20 G CA -0.761 44.402 45.100 0.105 0.000 0.860 20 G HN -0.179 nan 8.290 nan 0.000 0.610 21 P HA 0.069 nan 4.420 nan 0.000 0.217 21 P C 1.704 179.011 177.300 0.011 0.000 1.151 21 P CA 2.216 65.327 63.100 0.018 0.000 0.828 21 P CB 0.166 31.872 31.700 0.010 0.000 0.788 22 E N 0.297 120.505 120.200 0.012 0.000 2.046 22 E HA -0.115 4.234 4.350 -0.002 0.000 0.190 22 E C 2.036 178.633 176.600 -0.005 0.000 0.982 22 E CA 1.954 58.353 56.400 -0.001 0.000 0.800 22 E CB -2.085 27.615 29.700 -0.000 0.000 0.756 22 E HN 0.276 nan 8.360 nan 0.000 0.449 23 T N 1.268 115.830 114.554 0.014 0.000 2.684 23 T HA -0.112 4.237 4.350 -0.002 0.000 0.267 23 T C 2.136 176.837 174.700 0.002 0.000 1.036 23 T CA 1.475 63.580 62.100 0.008 0.000 1.148 23 T CB -0.312 68.571 68.868 0.024 0.000 0.863 23 T HN 0.327 nan 8.240 nan 0.000 0.436 24 L N 0.695 121.936 121.223 0.030 0.000 2.217 24 L HA -0.039 4.299 4.340 -0.002 0.000 0.211 24 L C 3.383 180.225 176.870 -0.046 0.000 1.107 24 L CA 1.107 55.945 54.840 -0.004 0.000 0.783 24 L CB -0.772 41.296 42.059 0.014 0.000 0.919 24 L HN 0.245 nan 8.230 nan 0.000 0.442 25 R N 0.139 120.617 120.500 -0.036 0.000 2.120 25 R HA -0.200 4.139 4.340 -0.002 0.000 0.234 25 R C 1.927 178.180 176.300 -0.077 0.000 1.123 25 R CA 1.835 57.907 56.100 -0.048 0.000 0.975 25 R CB -1.128 29.151 30.300 -0.035 0.000 0.866 25 R HN 0.475 nan 8.270 nan 0.000 0.446 26 Q N 0.014 119.759 119.800 -0.092 0.000 2.187 26 Q HA -0.038 4.300 4.340 -0.002 0.000 0.199 26 Q C 2.389 178.271 176.000 -0.196 0.000 0.957 26 Q CA 1.451 57.166 55.803 -0.148 0.000 0.857 26 Q CB 0.085 28.756 28.738 -0.112 0.000 0.929 26 Q HN 0.625 nan 8.270 nan 0.000 0.453 27 V N -2.002 117.789 119.914 -0.205 0.000 2.407 27 V HA -0.155 3.964 4.120 -0.002 0.000 0.245 27 V C 2.188 178.162 176.094 -0.200 0.000 1.041 27 V CA 1.777 63.836 62.300 -0.402 0.000 1.040 27 V CB -1.486 29.901 31.823 -0.727 0.000 0.671 27 V HN 0.400 nan 8.190 nan 0.000 0.455 28 T N -1.799 112.685 114.554 -0.118 0.000 2.759 28 T HA -0.315 4.033 4.350 -0.002 0.000 0.269 28 T C 1.971 176.673 174.700 0.002 0.000 1.042 28 T CA 2.009 64.090 62.100 -0.032 0.000 1.140 28 T CB -0.622 68.227 68.868 -0.032 0.000 0.864 28 T HN 0.615 nan 8.240 nan 0.000 0.455 29 Q N 0.539 120.311 119.800 -0.046 0.000 2.002 29 Q HA -0.231 4.108 4.340 -0.002 0.000 0.204 29 Q C 2.275 178.293 176.000 0.031 0.000 0.988 29 Q CA 2.068 57.842 55.803 -0.048 0.000 0.843 29 Q CB -0.295 28.356 28.738 -0.145 0.000 0.908 29 Q HN 0.802 nan 8.270 nan 0.000 0.420 30 H N -0.739 118.381 119.070 0.083 0.000 2.289 30 H HA -0.189 4.365 4.556 -0.002 0.000 0.296 30 H C 2.027 177.475 175.328 0.200 0.000 1.091 30 H CA 1.223 57.370 56.048 0.165 0.000 1.274 30 H CB -0.085 29.907 29.762 0.384 0.000 1.364 30 H HN 0.448 nan 8.280 nan 0.000 0.490 31 A N 1.017 124.073 122.820 0.393 0.000 1.883 31 A HA -0.250 4.069 4.320 -0.002 0.000 0.217 31 A C 2.120 179.776 177.584 0.120 0.000 1.186 31 A CA 2.016 54.279 52.037 0.376 0.000 0.624 31 A CB -0.468 18.737 19.000 0.343 0.000 0.822 31 A HN 0.507 nan 8.150 nan 0.000 0.444 32 E N -1.720 118.528 120.200 0.080 0.000 2.110 32 E HA -0.226 4.122 4.350 -0.002 0.000 0.193 32 E C 1.891 178.469 176.600 -0.037 0.000 0.988 32 E CA 1.333 57.736 56.400 0.006 0.000 0.804 32 E CB -0.249 29.456 29.700 0.009 0.000 0.745 32 E HN 0.886 nan 8.360 nan 0.000 0.458 33 H N 0.254 119.269 119.070 -0.091 0.000 2.256 33 H HA -0.141 4.414 4.556 -0.002 0.000 0.299 33 H C 2.252 177.374 175.328 -0.344 0.000 1.071 33 H CA 2.509 58.464 56.048 -0.155 0.000 1.280 33 H CB -0.143 29.556 29.762 -0.104 0.000 1.370 33 H HN 0.091 nan 8.280 nan 0.000 0.490 34 V N -1.247 118.444 119.914 -0.371 0.000 2.332 34 V HA -0.207 3.911 4.120 -0.002 0.000 0.248 34 V C 2.282 178.069 176.094 -0.512 0.000 1.055 34 V CA 1.818 63.641 62.300 -0.795 0.000 1.038 34 V CB -1.257 29.927 31.823 -1.065 0.000 0.651 34 V HN 0.333 nan 8.190 nan 0.000 0.450 35 V N 1.418 121.044 119.914 -0.480 0.000 2.295 35 V HA -0.219 3.899 4.120 -0.002 0.000 0.246 35 V C 2.691 178.619 176.094 -0.276 0.000 1.049 35 V CA 2.599 64.619 62.300 -0.467 0.000 1.024 35 V CB -1.201 30.380 31.823 -0.403 0.000 0.648 35 V HN 0.563 nan 8.190 nan 0.000 0.447 36 N N 0.617 119.179 118.700 -0.230 0.000 2.084 36 N HA -0.126 4.613 4.740 -0.002 0.000 0.190 36 N C 1.883 177.288 175.510 -0.176 0.000 1.030 36 N CA 1.750 54.691 53.050 -0.183 0.000 0.849 36 N CB -0.666 37.711 38.487 -0.183 0.000 1.012 36 N HN 0.474 nan 8.380 nan 0.000 0.423 37 A N 0.866 123.560 122.820 -0.211 0.000 1.940 37 A HA -0.080 4.239 4.320 -0.002 0.000 0.219 37 A C 2.373 179.925 177.584 -0.053 0.000 1.176 37 A CA 1.022 53.009 52.037 -0.083 0.000 0.631 37 A CB -0.715 18.340 19.000 0.091 0.000 0.814 37 A HN 0.240 nan 8.150 nan 0.000 0.446 38 L N -0.423 120.732 121.223 -0.113 0.000 2.072 38 L HA -0.164 4.174 4.340 -0.002 0.000 0.205 38 L C 2.309 179.088 176.870 -0.151 0.000 1.079 38 L CA 1.086 55.829 54.840 -0.161 0.000 0.752 38 L CB -0.577 41.368 42.059 -0.190 0.000 0.906 38 L HN 0.376 nan 8.230 nan 0.000 0.436 39 N N -0.576 118.047 118.700 -0.128 0.000 2.166 39 N HA -0.140 4.599 4.740 -0.002 0.000 0.186 39 N C 1.758 177.223 175.510 -0.076 0.000 1.019 39 N CA 1.958 54.954 53.050 -0.090 0.000 0.856 39 N CB -0.345 38.096 38.487 -0.077 0.000 0.993 39 N HN 0.355 nan 8.380 nan 0.000 0.426 40 T N 0.053 114.561 114.554 -0.077 0.000 2.852 40 T HA 0.004 4.353 4.350 -0.002 0.000 0.256 40 T C 1.842 176.509 174.700 -0.055 0.000 1.038 40 T CA 1.766 63.831 62.100 -0.058 0.000 1.141 40 T CB -0.144 68.693 68.868 -0.053 0.000 0.869 40 T HN 0.537 nan 8.240 nan 0.000 0.439 41 E N -0.043 120.116 120.200 -0.068 0.000 2.583 41 E HA 0.720 5.069 4.350 -0.002 0.000 0.213 41 E C 1.444 177.976 176.600 -0.113 0.000 0.989 41 E CA 0.487 56.852 56.400 -0.058 0.000 0.991 41 E CB -0.217 29.473 29.700 -0.018 0.000 1.040 41 E HN 0.519 nan 8.360 nan 0.000 0.481 42 A N -0.575 122.134 122.820 -0.185 0.000 2.288 42 A HA 0.519 4.838 4.320 -0.002 0.000 0.216 42 A C 1.926 179.416 177.584 -0.156 0.000 1.199 42 A CA 1.417 53.267 52.037 -0.312 0.000 0.891 42 A CB -0.221 18.464 19.000 -0.526 0.000 0.923 42 A HN 1.354 nan 8.150 nan 0.000 0.500 43 K N -0.144 120.195 120.400 -0.101 0.000 3.148 43 K HA -0.153 4.166 4.320 -0.002 0.000 0.267 43 K C -0.138 176.416 176.600 -0.076 0.000 0.996 43 K CA 1.498 57.745 56.287 -0.068 0.000 0.737 43 K CB -3.009 29.467 32.500 -0.040 0.000 1.308 43 K HN 0.627 nan 8.250 nan 0.000 0.470 44 L N -1.056 120.112 121.223 -0.091 0.000 2.395 44 L HA 0.314 4.652 4.340 -0.002 0.000 0.269 44 L C -0.483 176.296 176.870 -0.151 0.000 1.133 44 L CA -2.080 52.703 54.840 -0.096 0.000 0.812 44 L CB 1.178 43.196 42.059 -0.069 0.000 1.125 44 L HN 0.142 nan 8.230 nan 0.000 0.452 45 P HA -0.166 nan 4.420 nan 0.000 0.218 45 P C 0.007 177.035 177.300 -0.452 0.000 1.154 45 P CA 1.114 63.884 63.100 -0.550 0.000 0.872 45 P CB 0.058 31.336 31.700 -0.703 0.000 0.790 46 C N -7.028 112.160 119.300 -0.187 0.000 3.335 46 C HA 0.871 5.330 4.460 -0.002 0.000 0.356 46 C C -0.008 175.006 174.990 0.039 0.000 1.570 46 C CA -1.077 57.937 59.018 -0.007 0.000 1.271 46 C CB 0.906 28.728 27.740 0.136 0.000 1.873 46 C HN 0.162 nan 8.230 nan 0.000 0.439 47 K N 0.050 120.502 120.400 0.087 0.000 2.154 47 K HA 0.716 5.035 4.320 -0.002 0.000 0.264 47 K C -0.912 175.764 176.600 0.127 0.000 1.008 47 K CA -0.247 56.087 56.287 0.080 0.000 0.937 47 K CB 0.014 32.560 32.500 0.077 0.000 1.002 47 K HN 0.733 nan 8.250 nan 0.000 0.469 48 L N 1.756 123.036 121.223 0.094 0.000 2.272 48 L HA 0.423 4.762 4.340 -0.002 0.000 0.289 48 L C -0.667 176.269 176.870 0.110 0.000 1.032 48 L CA -1.189 53.737 54.840 0.143 0.000 0.810 48 L CB 2.009 44.109 42.059 0.069 0.000 1.205 48 L HN 0.448 nan 8.230 nan 0.000 0.422 49 V N 4.764 124.773 119.914 0.159 0.000 2.347 49 V HA 0.212 4.331 4.120 -0.002 0.000 0.280 49 V C 0.032 176.155 176.094 0.047 0.000 1.021 49 V CA -0.643 61.677 62.300 0.033 0.000 0.847 49 V CB 1.633 33.401 31.823 -0.092 0.000 0.990 49 V HN 0.440 nan 8.190 nan 0.000 0.444 50 L N 7.302 128.550 121.223 0.041 0.000 2.433 50 L HA 0.314 4.652 4.340 -0.002 0.000 0.275 50 L C 0.372 177.236 176.870 -0.011 0.000 1.128 50 L CA 0.631 55.534 54.840 0.105 0.000 0.875 50 L CB -0.062 42.045 42.059 0.081 0.000 1.171 50 L HN 0.464 nan 8.230 nan 0.000 0.463 51 K N 5.717 126.116 120.400 -0.002 0.000 2.098 51 K HA 0.479 4.798 4.320 -0.002 0.000 0.257 51 K C -2.075 174.514 176.600 -0.019 0.000 0.999 51 K CA -1.685 54.544 56.287 -0.097 0.000 0.924 51 K CB 0.255 32.694 32.500 -0.102 0.000 1.028 51 K HN 0.420 nan 8.250 nan 0.000 0.466 52 P HA -0.000 nan 4.420 nan 0.000 0.276 52 P C -0.141 177.153 177.300 -0.010 0.000 1.264 52 P CA -0.117 62.966 63.100 -0.029 0.000 0.815 52 P CB 0.334 32.007 31.700 -0.045 0.000 1.121 53 L N -0.035 121.176 121.223 -0.021 0.000 2.367 53 L HA 0.290 4.628 4.340 -0.002 0.000 0.275 53 L C 1.263 178.104 176.870 -0.049 0.000 1.129 53 L CA -0.134 54.691 54.840 -0.024 0.000 0.839 53 L CB 0.125 42.161 42.059 -0.038 0.000 1.133 53 L HN 0.432 nan 8.230 nan 0.000 0.453 54 G N 1.131 109.902 108.800 -0.047 0.000 2.770 54 G HA2 0.305 4.264 3.960 -0.002 0.000 0.307 54 G HA3 0.305 4.264 3.960 -0.002 0.000 0.307 54 G C 0.789 175.608 174.900 -0.136 0.000 0.863 54 G CA -0.029 44.982 45.100 -0.148 0.000 1.595 54 G HN 0.794 nan 8.290 nan 0.000 0.496 55 T N -1.005 113.466 114.554 -0.139 0.000 3.045 55 T HA 0.141 4.489 4.350 -0.002 0.000 0.239 55 T C 1.426 176.037 174.700 -0.149 0.000 1.008 55 T CA 0.886 62.912 62.100 -0.123 0.000 1.143 55 T CB 0.026 68.833 68.868 -0.101 0.000 0.894 55 T HN 0.552 nan 8.240 nan 0.000 0.451 56 T N -0.123 114.337 114.554 -0.157 0.000 2.945 56 T HA 0.521 4.870 4.350 -0.002 0.000 0.286 56 T C -2.200 172.386 174.700 -0.189 0.000 1.025 56 T CA -2.039 59.975 62.100 -0.143 0.000 1.039 56 T CB 1.871 70.677 68.868 -0.102 0.000 1.068 56 T HN -0.194 nan 8.240 nan 0.000 0.497 57 P HA -0.079 nan 4.420 nan 0.000 0.216 57 P C 0.850 178.055 177.300 -0.157 0.000 1.153 57 P CA 1.166 64.164 63.100 -0.169 0.000 0.858 57 P CB -0.012 31.628 31.700 -0.100 0.000 0.789 58 D N -0.681 119.651 120.400 -0.114 0.000 2.219 58 D HA -0.117 4.522 4.640 -0.002 0.000 0.205 58 D C 1.944 178.186 176.300 -0.097 0.000 0.970 58 D CA 0.933 54.880 54.000 -0.088 0.000 0.851 58 D CB -0.376 40.386 40.800 -0.064 0.000 0.943 58 D HN 0.347 nan 8.370 nan 0.000 0.488 59 E N -0.203 119.923 120.200 -0.124 0.000 2.076 59 E HA -0.029 4.320 4.350 -0.002 0.000 0.190 59 E C 2.183 178.684 176.600 -0.165 0.000 0.979 59 E CA 0.304 56.631 56.400 -0.122 0.000 0.807 59 E CB 0.104 29.730 29.700 -0.123 0.000 0.761 59 E HN 0.262 nan 8.360 nan 0.000 0.454 60 I N 0.969 121.367 120.570 -0.287 0.000 2.179 60 I HA -0.256 3.913 4.170 -0.002 0.000 0.242 60 I C 2.380 178.359 176.117 -0.229 0.000 1.088 60 I CA 1.171 62.208 61.300 -0.438 0.000 1.357 60 I CB -0.376 37.096 38.000 -0.881 0.000 1.051 60 I HN 0.067 nan 8.210 nan 0.000 0.409 61 T N 0.779 115.234 114.554 -0.164 0.000 2.720 61 T HA -0.206 4.142 4.350 -0.002 0.000 0.268 61 T C 2.064 176.751 174.700 -0.022 0.000 1.037 61 T CA 1.534 63.593 62.100 -0.068 0.000 1.144 61 T CB -0.398 68.436 68.868 -0.058 0.000 0.864 61 T HN 0.491 nan 8.240 nan 0.000 0.444 62 A N 0.986 123.787 122.820 -0.031 0.000 1.902 62 A HA -0.000 4.318 4.320 -0.002 0.000 0.217 62 A C 2.294 179.919 177.584 0.068 0.000 1.181 62 A CA 1.144 53.185 52.037 0.007 0.000 0.623 62 A CB -0.761 18.232 19.000 -0.012 0.000 0.818 62 A HN 0.515 nan 8.150 nan 0.000 0.443 63 I N -0.497 120.113 120.570 0.068 0.000 2.226 63 I HA -0.342 3.827 4.170 -0.002 0.000 0.245 63 I C 2.445 178.708 176.117 0.243 0.000 1.100 63 I CA 1.269 62.687 61.300 0.196 0.000 1.374 63 I CB -0.388 37.705 38.000 0.155 0.000 1.057 63 I HN 0.390 nan 8.210 nan 0.000 0.413 64 C N 0.238 119.617 119.300 0.131 0.000 2.440 64 C HA -0.131 4.328 4.460 -0.002 0.000 0.278 64 C C 2.934 177.977 174.990 0.088 0.000 1.295 64 C CA 0.876 59.959 59.018 0.109 0.000 1.738 64 C CB -1.242 26.553 27.740 0.092 0.000 1.987 64 C HN 0.502 nan 8.230 nan 0.000 0.492 65 R N 1.211 121.765 120.500 0.090 0.000 2.092 65 R HA -0.120 4.219 4.340 -0.002 0.000 0.231 65 R C 1.443 177.818 176.300 0.124 0.000 1.119 65 R CA 2.023 58.173 56.100 0.083 0.000 0.970 65 R CB -0.438 29.893 30.300 0.053 0.000 0.864 65 R HN 0.411 nan 8.270 nan 0.000 0.440 66 D N 0.905 121.414 120.400 0.181 0.000 2.117 66 D HA -0.074 4.565 4.640 -0.002 0.000 0.198 66 D C 1.879 178.312 176.300 0.221 0.000 0.982 66 D CA 1.530 55.705 54.000 0.292 0.000 0.828 66 D CB -0.328 40.744 40.800 0.452 0.000 0.967 66 D HN 0.402 nan 8.370 nan 0.000 0.464 67 A N 1.145 123.962 122.820 -0.005 0.000 1.908 67 A HA -0.246 4.073 4.320 -0.002 0.000 0.218 67 A C 1.968 179.403 177.584 -0.248 0.000 1.181 67 A CA 1.678 53.388 52.037 -0.544 0.000 0.627 67 A CB -0.904 17.843 19.000 -0.422 0.000 0.818 67 A HN 0.278 nan 8.150 nan 0.000 0.445 68 N N -2.109 116.562 118.700 -0.048 0.000 2.084 68 N HA -0.204 4.535 4.740 -0.002 0.000 0.190 68 N C 1.824 177.368 175.510 0.057 0.000 1.030 68 N CA 1.667 54.722 53.050 0.008 0.000 0.849 68 N CB -0.304 38.214 38.487 0.053 0.000 1.012 68 N HN 0.664 nan 8.380 nan 0.000 0.423 69 Y N 1.778 122.079 120.300 0.002 0.000 2.242 69 Y HA -0.060 4.489 4.550 -0.002 0.000 0.291 69 Y C 0.675 176.602 175.900 0.045 0.000 1.137 69 Y CA 0.902 59.023 58.100 0.034 0.000 1.181 69 Y CB -0.022 38.473 38.460 0.058 0.000 0.989 69 Y HN -0.078 nan 8.280 nan 0.000 0.527 70 D N 1.218 121.713 120.400 0.159 0.000 2.342 70 D HA -0.070 4.569 4.640 -0.002 0.000 0.260 70 D C 0.194 176.493 176.300 -0.001 0.000 1.278 70 D CA 0.200 54.273 54.000 0.122 0.000 0.910 70 D CB 0.588 41.564 40.800 0.293 0.000 1.079 70 D HN 0.415 nan 8.370 nan 0.000 0.496 71 D N 4.076 124.447 120.400 -0.047 0.000 2.178 71 D HA -0.089 4.550 4.640 -0.002 0.000 0.202 71 D C -0.922 175.404 176.300 0.044 0.000 0.974 71 D CA 0.589 54.583 54.000 -0.009 0.000 0.841 71 D CB -0.809 39.951 40.800 -0.067 0.000 0.953 71 D HN 0.486 nan 8.370 nan 0.000 0.478 72 P HA -0.033 nan 4.420 nan 0.000 0.230 72 P C 0.396 177.835 177.300 0.233 0.000 1.158 72 P CA 0.278 63.408 63.100 0.050 0.000 0.769 72 P CB -0.043 31.688 31.700 0.052 0.000 0.807 73 C N 0.520 119.884 119.300 0.107 0.000 2.416 73 C HA 0.553 5.012 4.460 -0.002 0.000 0.355 73 C C 1.689 176.646 174.990 -0.055 0.000 1.211 73 C CA -0.116 58.826 59.018 -0.127 0.000 1.699 73 C CB -1.597 25.689 27.740 -0.757 0.000 2.310 73 C HN 0.285 nan 8.230 nan 0.000 0.539 74 A N 4.405 127.241 122.820 0.027 0.000 2.308 74 A HA 0.639 4.958 4.320 -0.002 0.000 0.217 74 A C 0.985 178.507 177.584 -0.104 0.000 1.216 74 A CA 0.673 52.678 52.037 -0.053 0.000 0.864 74 A CB -0.301 18.623 19.000 -0.127 0.000 0.902 74 A HN 1.674 nan 8.150 nan 0.000 0.499 75 G N -1.523 107.258 108.800 -0.032 0.000 2.336 75 G HA2 0.413 4.371 3.960 -0.002 0.000 0.300 75 G HA3 0.413 4.371 3.960 -0.002 0.000 0.300 75 G C -1.448 173.602 174.900 0.249 0.000 1.375 75 G CA -0.880 44.298 45.100 0.130 0.000 0.885 75 G HN 0.354 nan 8.290 nan 0.000 0.599 76 L N -0.490 120.934 121.223 0.336 0.000 2.333 76 L HA 0.831 5.169 4.340 -0.002 0.000 0.269 76 L C -0.362 176.608 176.870 0.168 0.000 1.010 76 L CA -1.335 53.667 54.840 0.270 0.000 0.818 76 L CB 2.133 44.315 42.059 0.205 0.000 1.306 76 L HN 0.353 nan 8.230 nan 0.000 0.430 77 V N 2.487 122.461 119.914 0.100 0.000 2.407 77 V HA 0.345 4.464 4.120 -0.002 0.000 0.291 77 V C -0.519 175.428 176.094 -0.244 0.000 1.018 77 V CA -0.608 61.635 62.300 -0.095 0.000 0.842 77 V CB 2.386 34.259 31.823 0.084 0.000 0.996 77 V HN 0.481 nan 8.190 nan 0.000 0.426 78 V N 6.434 126.177 119.914 -0.285 0.000 2.384 78 V HA 0.606 4.725 4.120 -0.002 0.000 0.287 78 V C -1.226 174.700 176.094 -0.279 0.000 1.020 78 V CA -0.408 61.683 62.300 -0.349 0.000 0.850 78 V CB 1.373 32.896 31.823 -0.501 0.000 0.987 78 V HN 0.906 nan 8.190 nan 0.000 0.436 79 W N 7.958 128.958 121.300 -0.500 0.000 2.316 79 W HA 0.558 5.217 4.660 -0.002 0.000 0.308 79 W C -1.004 175.377 176.519 -0.230 0.000 1.106 79 W CA -1.731 55.431 57.345 -0.304 0.000 1.262 79 W CB 1.085 30.440 29.460 -0.175 0.000 1.233 79 W HN 0.531 nan 8.180 nan 0.000 0.447 80 L N 7.698 128.886 121.223 -0.057 0.000 2.358 80 L HA 0.050 4.388 4.340 -0.002 0.000 0.274 80 L C 1.795 178.501 176.870 -0.273 0.000 1.136 80 L CA -0.277 54.430 54.840 -0.221 0.000 0.970 80 L CB 0.169 42.115 42.059 -0.187 0.000 1.314 80 L HN 0.618 nan 8.230 nan 0.000 0.427 81 H N 1.457 120.184 119.070 -0.572 0.000 2.372 81 H HA -0.051 4.504 4.556 -0.002 0.000 0.301 81 H C 1.117 176.274 175.328 -0.284 0.000 1.065 81 H CA 2.050 57.652 56.048 -0.742 0.000 1.364 81 H CB 0.739 29.983 29.762 -0.863 0.000 1.406 81 H HN 0.663 nan 8.280 nan 0.000 0.521 82 T N -2.621 111.983 114.554 0.084 0.000 3.425 82 T HA 0.163 4.511 4.350 -0.002 0.000 0.225 82 T C -0.522 174.370 174.700 0.319 0.000 0.992 82 T CA -0.272 61.961 62.100 0.222 0.000 1.174 82 T CB 1.031 70.178 68.868 0.466 0.000 1.240 82 T HN 0.098 nan 8.240 nan 0.000 0.350 83 F N 2.450 122.526 119.950 0.211 0.000 3.130 83 F HA 0.438 4.964 4.527 -0.002 0.000 0.349 83 F C -1.588 174.294 175.800 0.136 0.000 1.158 83 F CA -1.147 56.954 58.000 0.167 0.000 1.274 83 F CB 1.058 40.224 39.000 0.276 0.000 1.594 83 F HN 0.310 nan 8.300 nan 0.000 0.720 84 S N 5.879 121.403 115.700 -0.292 0.000 2.516 84 S HA 0.610 5.079 4.470 -0.002 0.000 0.268 84 S C -2.997 171.475 174.600 -0.213 0.000 1.251 84 S CA -1.691 56.447 58.200 -0.103 0.000 1.153 84 S CB 1.031 64.349 63.200 0.196 0.000 1.009 84 S HN 0.304 nan 8.310 nan 0.000 0.479 85 P HA 0.033 nan 4.420 nan 0.000 0.251 85 P C 1.073 178.398 177.300 0.043 0.000 1.154 85 P CA 0.324 63.300 63.100 -0.207 0.000 0.805 85 P CB 0.037 31.702 31.700 -0.058 0.000 0.759 86 A N 4.597 127.416 122.820 -0.002 0.000 2.042 86 A HA -0.268 4.051 4.320 -0.002 0.000 0.222 86 A C 2.263 179.927 177.584 0.133 0.000 1.167 86 A CA 2.418 54.495 52.037 0.068 0.000 0.649 86 A CB -1.237 17.712 19.000 -0.085 0.000 0.809 86 A HN 0.461 nan 8.150 nan 0.000 0.457 87 K N -0.431 120.010 120.400 0.068 0.000 2.211 87 K HA -0.035 4.284 4.320 -0.002 0.000 0.204 87 K C 1.835 178.471 176.600 0.061 0.000 1.047 87 K CA 1.824 58.137 56.287 0.043 0.000 0.935 87 K CB -0.928 31.584 32.500 0.020 0.000 0.728 87 K HN 0.704 nan 8.250 nan 0.000 0.452 88 M N -1.840 117.816 119.600 0.094 0.000 2.229 88 M HA -0.036 4.442 4.480 -0.002 0.000 0.264 88 M C 1.896 178.157 176.300 -0.064 0.000 1.063 88 M CA 1.373 56.660 55.300 -0.020 0.000 1.114 88 M CB -0.313 32.224 32.600 -0.105 0.000 1.387 88 M HN 0.566 nan 8.290 nan 0.000 0.420 89 W N 0.536 121.837 121.300 0.002 0.000 2.800 89 W HA 0.042 4.700 4.660 -0.002 0.000 0.249 89 W C 1.974 178.490 176.519 -0.005 0.000 1.294 89 W CA -0.091 57.276 57.345 0.036 0.000 1.402 89 W CB -0.358 29.167 29.460 0.108 0.000 1.126 89 W HN 0.075 nan 8.180 nan 0.000 0.652 90 I N 0.931 121.584 120.570 0.139 0.000 2.091 90 I HA -0.363 3.806 4.170 -0.002 0.000 0.239 90 I C 2.044 178.187 176.117 0.042 0.000 1.061 90 I CA 1.615 62.946 61.300 0.052 0.000 1.317 90 I CB -1.514 36.488 38.000 0.003 0.000 1.031 90 I HN 0.099 nan 8.210 nan 0.000 0.401 91 N N 1.030 119.742 118.700 0.021 0.000 2.166 91 N HA -0.126 4.613 4.740 -0.002 0.000 0.186 91 N C 1.938 177.462 175.510 0.024 0.000 1.019 91 N CA 1.628 54.682 53.050 0.008 0.000 0.856 91 N CB -0.502 37.977 38.487 -0.013 0.000 0.993 91 N HN 0.470 nan 8.380 nan 0.000 0.426 92 G N 1.509 110.329 108.800 0.034 0.000 2.414 92 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.215 92 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.215 92 G C 1.670 176.643 174.900 0.120 0.000 1.188 92 G CA 0.287 45.425 45.100 0.062 0.000 0.783 92 G HN 0.219 nan 8.290 nan 0.000 0.537 93 L N 0.924 122.251 121.223 0.173 0.000 2.275 93 L HA -0.059 4.279 4.340 -0.002 0.000 0.215 93 L C 3.112 180.040 176.870 0.098 0.000 1.119 93 L CA 1.266 56.215 54.840 0.181 0.000 0.790 93 L CB -0.659 41.514 42.059 0.190 0.000 0.919 93 L HN 0.209 nan 8.230 nan 0.000 0.443 94 T N 0.546 115.135 114.554 0.058 0.000 2.674 94 T HA -0.225 4.124 4.350 -0.002 0.000 0.265 94 T C 1.802 176.522 174.700 0.034 0.000 1.039 94 T CA 1.923 64.040 62.100 0.028 0.000 1.150 94 T CB -0.261 68.613 68.868 0.011 0.000 0.864 94 T HN 0.467 nan 8.240 nan 0.000 0.427 95 M N 0.591 120.216 119.600 0.041 0.000 2.394 95 M HA 0.243 4.722 4.480 -0.002 0.000 0.264 95 M C 0.829 177.157 176.300 0.047 0.000 1.073 95 M CA 0.677 56.000 55.300 0.038 0.000 1.111 95 M CB -0.671 31.950 32.600 0.035 0.000 1.401 95 M HN 0.044 nan 8.290 nan 0.000 0.448 96 L N 4.483 125.746 121.223 0.067 0.000 2.678 96 L HA 0.058 4.396 4.340 -0.002 0.000 0.276 96 L C 0.299 177.204 176.870 0.057 0.000 1.142 96 L CA 0.448 55.331 54.840 0.073 0.000 0.961 96 L CB -0.214 41.916 42.059 0.117 0.000 1.291 96 L HN 0.422 nan 8.230 nan 0.000 0.476 97 N N 1.944 120.664 118.700 0.033 0.000 2.461 97 N HA 0.010 4.749 4.740 -0.002 0.000 0.188 97 N C -0.252 175.263 175.510 0.009 0.000 1.134 97 N CA 0.210 53.271 53.050 0.018 0.000 0.878 97 N CB -0.036 38.454 38.487 0.005 0.000 0.972 97 N HN 0.416 nan 8.380 nan 0.000 0.456 98 K N 0.631 121.040 120.400 0.016 0.000 2.164 98 K HA 0.460 4.779 4.320 -0.002 0.000 0.258 98 K C -2.511 174.133 176.600 0.072 0.000 0.951 98 K CA -2.361 53.931 56.287 0.007 0.000 0.844 98 K CB 1.311 33.783 32.500 -0.046 0.000 1.099 98 K HN -0.072 nan 8.250 nan 0.000 0.435 99 P HA 0.055 nan 4.420 nan 0.000 0.270 99 P C -1.294 176.229 177.300 0.371 0.000 1.223 99 P CA -0.463 62.772 63.100 0.225 0.000 0.785 99 P CB 0.480 32.296 31.700 0.194 0.000 0.923 100 L N 1.983 123.404 121.223 0.331 0.000 2.388 100 L HA 0.705 5.044 4.340 -0.002 0.000 0.264 100 L C -1.606 175.133 176.870 -0.219 0.000 0.998 100 L CA -0.826 54.048 54.840 0.058 0.000 0.817 100 L CB 1.927 43.846 42.059 -0.233 0.000 1.338 100 L HN 0.178 nan 8.230 nan 0.000 0.414 101 L N 3.360 124.215 121.223 -0.614 0.000 2.409 101 L HA 0.515 4.853 4.340 -0.002 0.000 0.272 101 L C -0.901 175.705 176.870 -0.439 0.000 0.980 101 L CA -0.072 54.270 54.840 -0.831 0.000 0.826 101 L CB 1.729 42.770 42.059 -1.698 0.000 1.268 101 L HN 0.754 nan 8.230 nan 0.000 0.407 102 Q N 3.769 123.417 119.800 -0.252 0.000 2.294 102 Q HA 0.210 4.548 4.340 -0.002 0.000 0.257 102 Q C -1.569 174.439 176.000 0.014 0.000 0.955 102 Q CA -0.534 55.184 55.803 -0.142 0.000 0.936 102 Q CB 0.822 29.530 28.738 -0.051 0.000 1.188 102 Q HN 0.635 nan 8.270 nan 0.000 0.420 103 F N 5.658 125.524 119.950 -0.140 0.000 2.335 103 F HA 0.161 4.687 4.527 -0.002 0.000 0.365 103 F C -0.707 175.114 175.800 0.035 0.000 1.122 103 F CA -0.895 57.069 58.000 -0.061 0.000 1.151 103 F CB 0.273 39.238 39.000 -0.058 0.000 1.282 103 F HN 0.585 nan 8.300 nan 0.000 0.513 104 H N 5.191 124.214 119.070 -0.080 0.000 3.008 104 H HA 0.240 4.794 4.556 -0.002 0.000 0.268 104 H C -0.379 174.730 175.328 -0.364 0.000 1.323 104 H CA 0.329 56.288 56.048 -0.148 0.000 1.401 104 H CB 0.461 30.203 29.762 -0.033 0.000 1.556 104 H HN 0.706 nan 8.280 nan 0.000 0.502 105 T N 2.975 117.103 114.554 -0.710 0.000 2.716 105 T HA 0.295 4.643 4.350 -0.002 0.000 0.286 105 T C -1.416 173.059 174.700 -0.375 0.000 1.052 105 T CA -0.639 60.971 62.100 -0.817 0.000 1.024 105 T CB 2.306 70.184 68.868 -1.650 0.000 1.349 105 T HN 0.691 nan 8.240 nan 0.000 0.525 106 Q N -0.135 119.512 119.800 -0.255 0.000 2.284 106 Q HA 0.542 4.880 4.340 -0.002 0.000 0.269 106 Q C 0.686 176.752 176.000 0.109 0.000 1.026 106 Q CA -0.543 55.261 55.803 0.002 0.000 0.831 106 Q CB 1.036 29.778 28.738 0.006 0.000 1.322 106 Q HN 0.762 nan 8.270 nan 0.000 0.419 107 F N 2.019 122.038 119.950 0.114 0.000 2.043 107 F HA -0.212 4.314 4.527 -0.002 0.000 0.297 107 F C 1.017 177.017 175.800 0.334 0.000 1.121 107 F CA 1.874 59.923 58.000 0.082 0.000 1.199 107 F CB -1.064 37.600 39.000 -0.560 0.000 0.968 107 F HN 0.765 nan 8.300 nan 0.000 0.478 108 N N 0.389 119.167 118.700 0.129 0.000 2.515 108 N HA 0.509 5.248 4.740 -0.002 0.000 0.279 108 N C 0.374 175.893 175.510 0.015 0.000 1.164 108 N CA 0.050 53.138 53.050 0.063 0.000 0.982 108 N CB 1.298 39.735 38.487 -0.084 0.000 1.170 108 N HN 0.461 nan 8.380 nan 0.000 0.474 109 A N 0.604 123.267 122.820 -0.261 0.000 1.942 109 A HA 0.505 4.824 4.320 -0.002 0.000 0.209 109 A C 0.929 178.377 177.584 -0.227 0.000 1.214 109 A CA 0.817 52.596 52.037 -0.431 0.000 0.686 109 A CB -0.653 17.839 19.000 -0.847 0.000 0.871 109 A HN 0.906 nan 8.150 nan 0.000 0.460 110 A N -1.183 121.512 122.820 -0.208 0.000 2.295 110 A HA 0.646 4.964 4.320 -0.002 0.000 0.318 110 A C -0.045 177.365 177.584 -0.291 0.000 1.134 110 A CA 0.139 52.062 52.037 -0.190 0.000 0.827 110 A CB 0.244 19.165 19.000 -0.131 0.000 1.136 110 A HN 1.484 nan 8.150 nan 0.000 0.493 111 L N 1.739 122.641 121.223 -0.535 0.000 2.360 111 L HA 0.615 4.954 4.340 -0.002 0.000 0.276 111 L C -2.020 174.304 176.870 -0.910 0.000 1.121 111 L CA -1.767 52.605 54.840 -0.779 0.000 0.845 111 L CB -0.296 40.957 42.059 -1.343 0.000 1.143 111 L HN 0.669 nan 8.230 nan 0.000 0.452 112 P HA 0.112 nan 4.420 nan 0.000 0.237 112 P C 0.266 177.494 177.300 -0.121 0.000 1.788 112 P CA -0.266 62.689 63.100 -0.241 0.000 1.061 112 P CB -0.508 31.117 31.700 -0.124 0.000 1.967 113 W N 1.771 123.109 121.300 0.063 0.000 2.296 113 W HA -0.245 4.414 4.660 -0.002 0.000 0.296 113 W C 2.144 178.691 176.519 0.047 0.000 1.220 113 W CA 1.922 59.297 57.345 0.051 0.000 1.223 113 W CB -1.423 28.055 29.460 0.029 0.000 1.139 113 W HN 0.250 nan 8.180 nan 0.000 0.534 114 D N -1.049 119.493 120.400 0.238 0.000 2.388 114 D HA 0.024 4.663 4.640 -0.002 0.000 0.208 114 D C 1.647 178.011 176.300 0.106 0.000 1.035 114 D CA 0.856 54.950 54.000 0.156 0.000 0.875 114 D CB -0.493 40.385 40.800 0.129 0.000 0.984 114 D HN 0.190 nan 8.370 nan 0.000 0.508 115 S N -0.161 115.594 115.700 0.091 0.000 2.559 115 S HA 0.242 4.711 4.470 -0.002 0.000 0.226 115 S C 0.807 175.476 174.600 0.114 0.000 1.000 115 S CA -0.390 57.854 58.200 0.073 0.000 0.948 115 S CB -1.038 62.183 63.200 0.034 0.000 0.870 115 S HN 0.657 nan 8.310 nan 0.000 0.497 116 I N 2.345 123.008 120.570 0.154 0.000 2.668 116 I HA 0.507 4.676 4.170 -0.002 0.000 0.285 116 I C -0.323 175.879 176.117 0.142 0.000 1.168 116 I CA -0.299 61.140 61.300 0.230 0.000 1.424 116 I CB -0.024 38.072 38.000 0.159 0.000 1.377 116 I HN 0.182 nan 8.210 nan 0.000 0.560 117 D N 5.119 125.609 120.400 0.150 0.000 2.677 117 D HA 0.245 4.884 4.640 -0.002 0.000 0.298 117 D C 0.445 176.774 176.300 0.049 0.000 1.250 117 D CA -0.832 53.213 54.000 0.074 0.000 0.888 117 D CB 0.588 41.429 40.800 0.069 0.000 1.397 117 D HN 0.309 nan 8.370 nan 0.000 0.461 118 M N 0.131 119.742 119.600 0.019 0.000 2.202 118 M HA -0.083 4.396 4.480 -0.002 0.000 0.262 118 M C 0.585 176.892 176.300 0.011 0.000 1.063 118 M CA 1.424 56.720 55.300 -0.007 0.000 1.097 118 M CB -0.931 31.665 32.600 -0.008 0.000 1.382 118 M HN 0.453 nan 8.290 nan 0.000 0.413 119 D N -0.507 119.921 120.400 0.047 0.000 2.224 119 D HA -0.046 4.593 4.640 -0.002 0.000 0.205 119 D C 1.738 178.122 176.300 0.140 0.000 0.965 119 D CA 0.437 54.473 54.000 0.059 0.000 0.852 119 D CB -0.163 40.665 40.800 0.048 0.000 0.947 119 D HN 0.385 nan 8.370 nan 0.000 0.494 120 F N 0.786 120.726 119.950 -0.017 0.000 1.999 120 F HA -0.232 4.294 4.527 -0.002 0.000 0.293 120 F C 2.340 178.125 175.800 -0.024 0.000 1.173 120 F CA 0.684 58.676 58.000 -0.013 0.000 1.162 120 F CB -0.138 38.854 39.000 -0.013 0.000 0.981 120 F HN -0.199 nan 8.300 nan 0.000 0.479 121 M N 1.491 120.950 119.600 -0.235 0.000 2.152 121 M HA -0.383 4.095 4.480 -0.002 0.000 0.251 121 M C 1.525 177.754 176.300 -0.119 0.000 1.080 121 M CA 2.151 57.243 55.300 -0.346 0.000 1.079 121 M CB -1.709 30.741 32.600 -0.250 0.000 1.317 121 M HN 0.427 nan 8.290 nan 0.000 0.404 122 N N 0.322 118.981 118.700 -0.068 0.000 2.627 122 N HA -0.033 4.706 4.740 -0.002 0.000 0.196 122 N C -0.383 175.009 175.510 -0.196 0.000 1.268 122 N CA -0.060 52.909 53.050 -0.135 0.000 0.904 122 N CB 0.058 38.481 38.487 -0.108 0.000 1.016 122 N HN 0.280 nan 8.380 nan 0.000 0.448 123 L N -0.370 120.844 121.223 -0.014 0.000 2.505 123 L HA 0.321 4.660 4.340 -0.002 0.000 0.259 123 L C -1.574 175.444 176.870 0.247 0.000 0.952 123 L CA -0.602 54.284 54.840 0.078 0.000 0.840 123 L CB 1.694 43.833 42.059 0.134 0.000 1.358 123 L HN 0.025 nan 8.230 nan 0.000 0.409 124 N N 4.212 123.065 118.700 0.256 0.000 2.441 124 N HA -0.186 4.552 4.740 -0.002 0.000 0.292 124 N C -1.012 174.527 175.510 0.047 0.000 1.378 124 N CA 1.368 54.492 53.050 0.123 0.000 0.651 124 N CB -0.505 38.165 38.487 0.304 0.000 0.926 124 N HN 0.857 nan 8.380 nan 0.000 0.517 125 Q N -1.380 118.373 119.800 -0.078 0.000 2.303 125 Q HA 0.110 4.448 4.340 -0.002 0.000 0.303 125 Q C 0.875 176.702 176.000 -0.289 0.000 0.831 125 Q CA 0.004 55.695 55.803 -0.187 0.000 1.066 125 Q CB -0.432 28.192 28.738 -0.189 0.000 1.354 125 Q HN 0.398 nan 8.270 nan 0.000 0.394 126 T N -2.821 111.628 114.554 -0.176 0.000 2.822 126 T HA -0.179 4.170 4.350 -0.002 0.000 0.270 126 T C 1.881 176.584 174.700 0.006 0.000 1.064 126 T CA 1.448 63.475 62.100 -0.122 0.000 1.131 126 T CB -0.169 68.595 68.868 -0.174 0.000 0.858 126 T HN 0.446 nan 8.240 nan 0.000 0.483 127 A N 2.680 125.478 122.820 -0.037 0.000 1.958 127 A HA -0.237 4.082 4.320 -0.002 0.000 0.221 127 A C 2.315 180.053 177.584 0.256 0.000 1.178 127 A CA 1.983 54.102 52.037 0.138 0.000 0.642 127 A CB -0.945 18.105 19.000 0.083 0.000 0.816 127 A HN 0.992 nan 8.150 nan 0.000 0.453 128 H N -4.044 115.135 119.070 0.183 0.000 2.788 128 H HA 0.213 4.768 4.556 -0.002 0.000 0.262 128 H C 2.032 177.561 175.328 0.336 0.000 0.968 128 H CA 0.826 56.991 56.048 0.195 0.000 1.218 128 H CB -0.589 29.225 29.762 0.087 0.000 1.443 128 H HN 0.316 nan 8.280 nan 0.000 0.478 129 G N 1.201 110.083 108.800 0.136 0.000 2.408 129 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.217 129 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.217 129 G C 1.819 176.820 174.900 0.168 0.000 1.150 129 G CA 0.708 45.978 45.100 0.283 0.000 0.776 129 G HN 0.538 nan 8.290 nan 0.000 0.542 130 G N 0.408 109.333 108.800 0.208 0.000 2.422 130 G HA2 -0.139 3.819 3.960 -0.002 0.000 0.218 130 G HA3 -0.139 3.819 3.960 -0.002 0.000 0.218 130 G C 1.949 176.894 174.900 0.074 0.000 1.146 130 G CA 0.637 45.850 45.100 0.188 0.000 0.769 130 G HN 0.437 nan 8.290 nan 0.000 0.547 131 R N -0.216 120.347 120.500 0.106 0.000 2.073 131 R HA 0.046 4.385 4.340 -0.002 0.000 0.229 131 R C 2.405 178.806 176.300 0.168 0.000 1.120 131 R CA 0.766 56.916 56.100 0.084 0.000 0.967 131 R CB -0.279 30.080 30.300 0.099 0.000 0.862 131 R HN 0.196 nan 8.270 nan 0.000 0.436 132 E N 0.639 120.985 120.200 0.243 0.000 2.097 132 E HA -0.222 4.127 4.350 -0.002 0.000 0.196 132 E C 1.623 178.323 176.600 0.167 0.000 1.000 132 E CA 1.370 57.917 56.400 0.244 0.000 0.804 132 E CB -0.131 29.707 29.700 0.230 0.000 0.740 132 E HN 0.223 nan 8.360 nan 0.000 0.454 133 F N 0.426 120.343 119.950 -0.054 0.000 2.206 133 F HA -0.011 4.515 4.527 -0.002 0.000 0.298 133 F C 2.138 177.910 175.800 -0.047 0.000 1.090 133 F CA 1.540 59.453 58.000 -0.145 0.000 1.323 133 F CB -0.355 38.471 39.000 -0.290 0.000 1.028 133 F HN 0.048 nan 8.300 nan 0.000 0.492 134 G N 0.062 108.975 108.800 0.189 0.000 2.442 134 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.219 134 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.219 134 G C 1.794 176.743 174.900 0.081 0.000 1.141 134 G CA 0.862 46.031 45.100 0.115 0.000 0.763 134 G HN 0.528 nan 8.290 nan 0.000 0.554 135 F N 0.340 120.243 119.950 -0.079 0.000 2.069 135 F HA -0.120 4.406 4.527 -0.002 0.000 0.298 135 F C 2.395 178.102 175.800 -0.155 0.000 1.113 135 F CA 1.011 58.956 58.000 -0.091 0.000 1.214 135 F CB 0.019 38.989 39.000 -0.049 0.000 0.978 135 F HN 0.149 nan 8.300 nan 0.000 0.474 136 I N 1.076 121.450 120.570 -0.327 0.000 2.394 136 I HA -0.129 4.040 4.170 -0.002 0.000 0.251 136 I C 2.453 178.292 176.117 -0.463 0.000 1.136 136 I CA 1.620 62.611 61.300 -0.514 0.000 1.425 136 I CB -1.009 36.720 38.000 -0.452 0.000 1.079 136 I HN 0.184 nan 8.210 nan 0.000 0.425 137 G N -0.308 108.194 108.800 -0.496 0.000 2.402 137 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.216 137 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.216 137 G C 1.734 176.411 174.900 -0.371 0.000 1.162 137 G CA 0.676 45.386 45.100 -0.649 0.000 0.777 137 G HN 0.545 nan 8.290 nan 0.000 0.539 138 A N 0.986 123.698 122.820 -0.179 0.000 1.855 138 A HA 0.034 4.353 4.320 -0.002 0.000 0.215 138 A C 2.325 179.869 177.584 -0.067 0.000 1.191 138 A CA 2.116 54.116 52.037 -0.061 0.000 0.613 138 A CB -0.457 18.582 19.000 0.065 0.000 0.829 138 A HN 0.309 nan 8.150 nan 0.000 0.442 139 R N 0.037 120.473 120.500 -0.107 0.000 2.096 139 R HA -0.069 4.270 4.340 -0.002 0.000 0.240 139 R C 1.844 178.040 176.300 -0.173 0.000 1.139 139 R CA 2.436 58.432 56.100 -0.172 0.000 0.952 139 R CB -0.711 29.286 30.300 -0.505 0.000 0.854 139 R HN 0.521 nan 8.270 nan 0.000 0.436 140 M N -0.227 119.239 119.600 -0.223 0.000 2.619 140 M HA 0.113 4.592 4.480 -0.002 0.000 0.251 140 M C 0.141 176.355 176.300 -0.144 0.000 1.106 140 M CA 0.613 55.804 55.300 -0.181 0.000 1.086 140 M CB 0.199 32.673 32.600 -0.210 0.000 1.465 140 M HN 0.060 nan 8.290 nan 0.000 0.506 141 R N 0.481 120.896 120.500 -0.140 0.000 3.336 141 R HA -0.182 4.157 4.340 -0.002 0.000 0.260 141 R C -0.062 176.179 176.300 -0.097 0.000 1.032 141 R CA 0.777 56.820 56.100 -0.094 0.000 0.693 141 R CB -2.197 28.073 30.300 -0.050 0.000 1.134 141 R HN 0.613 nan 8.270 nan 0.000 0.433 142 Q N -0.139 119.549 119.800 -0.187 0.000 2.193 142 Q HA 0.643 4.982 4.340 -0.002 0.000 0.246 142 Q C 1.392 177.349 176.000 -0.072 0.000 0.959 142 Q CA 0.339 56.050 55.803 -0.153 0.000 0.904 142 Q CB 0.326 28.893 28.738 -0.284 0.000 1.238 142 Q HN 0.497 nan 8.270 nan 0.000 0.469 143 Q N 0.013 119.861 119.800 0.080 0.000 1.895 143 Q HA -0.107 4.232 4.340 -0.002 0.000 0.217 143 Q C 0.611 176.745 176.000 0.222 0.000 1.003 143 Q CA 2.069 57.959 55.803 0.145 0.000 0.871 143 Q CB -1.141 27.701 28.738 0.173 0.000 0.941 143 Q HN 1.163 nan 8.270 nan 0.000 0.421 144 H N -0.130 118.984 119.070 0.075 0.000 3.025 144 H HA 0.032 4.587 4.556 -0.002 0.000 0.306 144 H C 0.237 175.585 175.328 0.032 0.000 0.903 144 H CA -0.313 55.769 56.048 0.056 0.000 0.966 144 H CB -1.386 28.399 29.762 0.039 0.000 1.577 144 H HN 0.998 nan 8.280 nan 0.000 0.333 145 A N 3.142 126.000 122.820 0.063 0.000 2.346 145 A HA 0.566 4.885 4.320 -0.002 0.000 0.252 145 A C 0.406 177.956 177.584 -0.057 0.000 1.089 145 A CA -0.075 51.955 52.037 -0.012 0.000 0.797 145 A CB 0.942 19.871 19.000 -0.118 0.000 1.047 145 A HN 0.317 nan 8.150 nan 0.000 0.494 146 V N 0.631 120.533 119.914 -0.020 0.000 2.733 146 V HA 0.505 4.623 4.120 -0.002 0.000 0.306 146 V C -0.843 175.274 176.094 0.038 0.000 1.084 146 V CA -0.483 61.823 62.300 0.010 0.000 0.905 146 V CB 1.618 33.462 31.823 0.035 0.000 1.010 146 V HN 0.687 nan 8.190 nan 0.000 0.424 147 V N 3.039 123.009 119.914 0.093 0.000 2.577 147 V HA 0.592 4.711 4.120 -0.002 0.000 0.303 147 V C -0.012 176.246 176.094 0.273 0.000 1.042 147 V CA -0.270 62.125 62.300 0.158 0.000 0.872 147 V CB 2.373 34.267 31.823 0.118 0.000 0.998 147 V HN 0.944 nan 8.190 nan 0.000 0.423 148 T N 2.936 117.613 114.554 0.205 0.000 2.895 148 T HA 0.895 5.243 4.350 -0.002 0.000 0.283 148 T C 0.184 174.979 174.700 0.157 0.000 1.014 148 T CA 0.056 62.264 62.100 0.180 0.000 1.037 148 T CB 1.707 70.673 68.868 0.164 0.000 1.006 148 T HN 1.384 nan 8.240 nan 0.000 0.468 149 G N 0.828 109.672 108.800 0.073 0.000 2.345 149 G HA2 0.168 4.127 3.960 -0.002 0.000 0.310 149 G HA3 0.168 4.127 3.960 -0.002 0.000 0.310 149 G C -1.385 173.508 174.900 -0.012 0.000 1.476 149 G CA -1.050 44.089 45.100 0.066 0.000 0.978 149 G HN 0.906 nan 8.290 nan 0.000 0.656 150 H N 1.041 120.054 119.070 -0.096 0.000 2.790 150 H HA 0.106 4.661 4.556 -0.002 0.000 0.358 150 H C 1.676 176.973 175.328 -0.053 0.000 1.103 150 H CA 0.709 56.662 56.048 -0.159 0.000 1.426 150 H CB 0.551 30.167 29.762 -0.243 0.000 1.424 150 H HN 0.746 nan 8.280 nan 0.000 0.599 151 W N 4.144 125.048 121.300 -0.661 0.000 2.421 151 W HA -0.112 4.546 4.660 -0.002 0.000 0.270 151 W C 0.577 177.131 176.519 0.059 0.000 1.233 151 W CA 0.316 57.577 57.345 -0.140 0.000 1.226 151 W CB -0.405 28.884 29.460 -0.286 0.000 1.121 151 W HN 0.609 nan 8.180 nan 0.000 0.579 152 Q N 0.675 120.139 119.800 -0.560 0.000 2.403 152 Q HA -0.050 4.289 4.340 -0.002 0.000 0.203 152 Q C -0.006 175.876 176.000 -0.197 0.000 0.932 152 Q CA 0.224 55.877 55.803 -0.250 0.000 0.945 152 Q CB -0.176 28.301 28.738 -0.435 0.000 1.045 152 Q HN -0.000 nan 8.270 nan 0.000 0.511 153 D N 0.936 121.187 120.400 -0.248 0.000 2.363 153 D HA 0.025 4.664 4.640 -0.002 0.000 0.263 153 D C 1.083 177.052 176.300 -0.552 0.000 1.258 153 D CA 0.398 54.240 54.000 -0.264 0.000 0.907 153 D CB 0.947 41.677 40.800 -0.117 0.000 1.107 153 D HN 0.112 nan 8.370 nan 0.000 0.495 154 K N 3.052 123.246 120.400 -0.343 0.000 2.103 154 K HA -0.222 4.097 4.320 -0.002 0.000 0.207 154 K C 2.204 178.706 176.600 -0.163 0.000 1.048 154 K CA 2.454 58.606 56.287 -0.225 0.000 0.930 154 K CB -1.533 30.950 32.500 -0.028 0.000 0.716 154 K HN 0.652 nan 8.250 nan 0.000 0.444 155 Q N -0.169 119.557 119.800 -0.123 0.000 2.124 155 Q HA 0.233 4.572 4.340 -0.002 0.000 0.202 155 Q C 2.670 178.634 176.000 -0.061 0.000 0.977 155 Q CA 2.229 57.997 55.803 -0.058 0.000 0.850 155 Q CB -1.008 27.711 28.738 -0.031 0.000 0.901 155 Q HN 1.005 nan 8.270 nan 0.000 0.429 156 A N 0.297 123.047 122.820 -0.117 0.000 1.930 156 A HA -0.147 4.171 4.320 -0.002 0.000 0.217 156 A C 1.995 179.519 177.584 -0.100 0.000 1.175 156 A CA 1.554 53.545 52.037 -0.077 0.000 0.627 156 A CB -0.679 18.328 19.000 0.011 0.000 0.815 156 A HN 0.859 nan 8.150 nan 0.000 0.443 157 H N -0.950 118.086 119.070 -0.057 0.000 2.353 157 H HA -0.094 4.461 4.556 -0.002 0.000 0.300 157 H C 2.134 177.433 175.328 -0.048 0.000 1.090 157 H CA 0.983 56.984 56.048 -0.077 0.000 1.327 157 H CB 0.094 29.833 29.762 -0.039 0.000 1.383 157 H HN 0.385 nan 8.280 nan 0.000 0.508 158 E N 1.057 121.309 120.200 0.087 0.000 2.058 158 E HA -0.168 4.180 4.350 -0.002 0.000 0.194 158 E C 2.286 178.918 176.600 0.053 0.000 0.997 158 E CA 1.025 57.459 56.400 0.057 0.000 0.801 158 E CB 0.038 29.762 29.700 0.039 0.000 0.746 158 E HN 0.523 nan 8.360 nan 0.000 0.450 159 R N 0.051 120.575 120.500 0.041 0.000 2.073 159 R HA -0.002 4.337 4.340 -0.002 0.000 0.229 159 R C 2.605 178.953 176.300 0.080 0.000 1.120 159 R CA 0.734 56.870 56.100 0.060 0.000 0.967 159 R CB -0.482 29.847 30.300 0.049 0.000 0.862 159 R HN 0.235 nan 8.270 nan 0.000 0.436 160 I N 0.821 121.403 120.570 0.019 0.000 2.226 160 I HA -0.188 3.981 4.170 -0.002 0.000 0.245 160 I C 2.564 178.772 176.117 0.151 0.000 1.100 160 I CA 1.550 62.863 61.300 0.021 0.000 1.374 160 I CB -0.696 37.210 38.000 -0.158 0.000 1.057 160 I HN 0.292 nan 8.210 nan 0.000 0.413 161 G N 0.635 109.487 108.800 0.088 0.000 2.421 161 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.216 161 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.216 161 G C 1.776 176.718 174.900 0.069 0.000 1.171 161 G CA 1.036 46.171 45.100 0.058 0.000 0.775 161 G HN 0.505 nan 8.290 nan 0.000 0.543 162 S N -0.471 115.285 115.700 0.093 0.000 2.399 162 S HA -0.188 4.280 4.470 -0.002 0.000 0.231 162 S C 2.001 176.681 174.600 0.133 0.000 1.022 162 S CA 1.361 59.617 58.200 0.094 0.000 0.983 162 S CB -0.605 62.655 63.200 0.100 0.000 0.803 162 S HN 0.646 nan 8.310 nan 0.000 0.480 163 W N 2.102 123.417 121.300 0.025 0.000 2.355 163 W HA 0.021 4.680 4.660 -0.002 0.000 0.309 163 W C 2.222 178.761 176.519 0.033 0.000 1.206 163 W CA 1.347 58.712 57.345 0.034 0.000 1.284 163 W CB -0.345 29.131 29.460 0.027 0.000 1.145 163 W HN 0.199 nan 8.180 nan 0.000 0.502 164 M N 0.102 119.751 119.600 0.083 0.000 2.108 164 M HA -0.236 4.243 4.480 -0.002 0.000 0.261 164 M C 2.343 178.526 176.300 -0.195 0.000 1.066 164 M CA 2.054 57.259 55.300 -0.159 0.000 1.107 164 M CB -0.682 31.945 32.600 0.045 0.000 1.356 164 M HN -0.001 nan 8.290 nan 0.000 0.406 165 R N 0.075 120.523 120.500 -0.086 0.000 2.096 165 R HA -0.195 4.144 4.340 -0.002 0.000 0.240 165 R C 2.276 178.580 176.300 0.008 0.000 1.139 165 R CA 1.584 57.702 56.100 0.029 0.000 0.952 165 R CB -0.025 30.305 30.300 0.050 0.000 0.854 165 R HN 0.376 nan 8.270 nan 0.000 0.436 166 Q N -0.399 119.334 119.800 -0.113 0.000 2.123 166 Q HA -0.055 4.284 4.340 -0.002 0.000 0.199 166 Q C 2.071 177.906 176.000 -0.274 0.000 0.966 166 Q CA 1.502 57.231 55.803 -0.123 0.000 0.845 166 Q CB -0.310 28.359 28.738 -0.115 0.000 0.907 166 Q HN 0.412 nan 8.270 nan 0.000 0.439 167 A N 0.507 122.989 122.820 -0.564 0.000 1.883 167 A HA -0.143 4.176 4.320 -0.002 0.000 0.217 167 A C 2.454 179.806 177.584 -0.387 0.000 1.186 167 A CA 1.705 53.379 52.037 -0.605 0.000 0.624 167 A CB -0.746 17.667 19.000 -0.979 0.000 0.822 167 A HN 0.208 nan 8.150 nan 0.000 0.444 168 V N -0.432 119.294 119.914 -0.313 0.000 2.358 168 V HA -0.207 3.912 4.120 -0.002 0.000 0.246 168 V C 2.823 178.720 176.094 -0.328 0.000 1.047 168 V CA 2.261 64.324 62.300 -0.396 0.000 1.035 168 V CB -0.720 31.063 31.823 -0.066 0.000 0.658 168 V HN 0.691 nan 8.190 nan 0.000 0.452 169 S N -0.536 115.085 115.700 -0.133 0.000 2.370 169 S HA -0.308 4.161 4.470 -0.002 0.000 0.226 169 S C 2.169 176.773 174.600 0.007 0.000 1.033 169 S CA 2.219 60.398 58.200 -0.036 0.000 1.011 169 S CB -0.321 62.932 63.200 0.088 0.000 0.852 169 S HN 0.584 nan 8.310 nan 0.000 0.457 170 K N -0.084 120.296 120.400 -0.033 0.000 2.063 170 K HA -0.142 4.177 4.320 -0.002 0.000 0.208 170 K C 2.410 178.995 176.600 -0.024 0.000 1.048 170 K CA 1.535 57.814 56.287 -0.013 0.000 0.928 170 K CB -0.175 32.220 32.500 -0.174 0.000 0.713 170 K HN 0.341 nan 8.250 nan 0.000 0.442 171 Q N 0.914 120.635 119.800 -0.130 0.000 2.016 171 Q HA -0.181 4.158 4.340 -0.002 0.000 0.200 171 Q C 1.818 177.875 176.000 0.095 0.000 0.978 171 Q CA 1.772 57.546 55.803 -0.050 0.000 0.833 171 Q CB -0.663 28.004 28.738 -0.119 0.000 0.895 171 Q HN 0.436 nan 8.270 nan 0.000 0.427 172 D N -0.097 120.335 120.400 0.054 0.000 2.133 172 D HA -0.158 4.480 4.640 -0.002 0.000 0.192 172 D C 1.529 177.891 176.300 0.103 0.000 1.001 172 D CA 2.142 56.234 54.000 0.154 0.000 0.844 172 D CB 0.022 40.829 40.800 0.011 0.000 0.944 172 D HN 0.228 nan 8.370 nan 0.000 0.447 173 T N 0.042 114.645 114.554 0.082 0.000 2.833 173 T HA -0.110 4.239 4.350 -0.002 0.000 0.269 173 T C 1.917 176.684 174.700 0.113 0.000 1.054 173 T CA 0.651 62.833 62.100 0.137 0.000 1.135 173 T CB -0.169 68.853 68.868 0.256 0.000 0.869 173 T HN 0.172 nan 8.240 nan 0.000 0.466 174 R N 0.818 121.308 120.500 -0.016 0.000 2.170 174 R HA -0.086 4.253 4.340 -0.002 0.000 0.242 174 R C 1.535 177.630 176.300 -0.342 0.000 1.145 174 R CA 1.111 57.084 56.100 -0.210 0.000 0.984 174 R CB -0.373 29.706 30.300 -0.367 0.000 0.869 174 R HN 0.628 nan 8.270 nan 0.000 0.455 175 H N -0.829 118.265 119.070 0.040 0.000 2.652 175 H HA 0.166 4.720 4.556 -0.002 0.000 0.274 175 H C 0.527 175.817 175.328 -0.063 0.000 1.021 175 H CA -0.332 55.718 56.048 0.004 0.000 1.187 175 H CB 0.280 30.029 29.762 -0.020 0.000 1.505 175 H HN 0.048 nan 8.280 nan 0.000 0.530 176 L N 2.471 123.711 121.223 0.028 0.000 2.418 176 L HA 0.097 4.436 4.340 -0.002 0.000 0.274 176 L C -0.316 176.696 176.870 0.236 0.000 1.135 176 L CA 0.041 54.869 54.840 -0.021 0.000 0.870 176 L CB 0.235 42.309 42.059 0.023 0.000 1.154 176 L HN -0.053 nan 8.230 nan 0.000 0.462 177 K N 4.716 125.374 120.400 0.430 0.000 2.307 177 K HA 0.463 4.782 4.320 -0.002 0.000 0.263 177 K C -1.137 175.781 176.600 0.529 0.000 0.973 177 K CA -0.730 55.842 56.287 0.475 0.000 0.846 177 K CB 2.310 35.075 32.500 0.441 0.000 1.100 177 K HN 0.351 nan 8.250 nan 0.000 0.438 178 V N 2.800 122.962 119.914 0.413 0.000 2.427 178 V HA 0.174 4.293 4.120 -0.002 0.000 0.286 178 V C -0.290 175.945 176.094 0.235 0.000 1.034 178 V CA -0.940 61.538 62.300 0.297 0.000 0.893 178 V CB 1.389 33.331 31.823 0.198 0.000 0.982 178 V HN 0.906 nan 8.190 nan 0.000 0.452 179 C N 7.546 126.806 119.300 -0.068 0.000 2.255 179 C HA 0.619 5.078 4.460 -0.002 0.000 0.326 179 C C 0.379 175.138 174.990 -0.384 0.000 1.258 179 C CA -0.792 57.958 59.018 -0.447 0.000 1.676 179 C CB -0.431 26.416 27.740 -1.489 0.000 2.314 179 C HN 0.961 nan 8.230 nan 0.000 0.509 180 R N 4.262 124.632 120.500 -0.217 0.000 2.368 180 R HA 0.456 4.795 4.340 -0.002 0.000 0.302 180 R C -1.173 174.946 176.300 -0.302 0.000 1.002 180 R CA -0.197 55.788 56.100 -0.192 0.000 0.929 180 R CB 1.094 31.389 30.300 -0.009 0.000 1.073 180 R HN 0.717 nan 8.270 nan 0.000 0.464 181 F N 2.367 122.373 119.950 0.092 0.000 2.329 181 F HA 0.374 4.899 4.527 -0.002 0.000 0.362 181 F C 1.183 177.015 175.800 0.054 0.000 1.113 181 F CA 0.006 58.032 58.000 0.045 0.000 1.212 181 F CB 1.075 40.062 39.000 -0.021 0.000 1.509 181 F HN 0.843 nan 8.300 nan 0.000 0.546 182 G N 1.631 110.536 108.800 0.176 0.000 2.710 182 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.668 182 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.668 182 G C -1.397 173.551 174.900 0.081 0.000 1.320 182 G CA -1.008 44.160 45.100 0.114 0.000 0.860 182 G HN 0.446 nan 8.290 nan 0.000 0.538 183 D N -0.519 119.916 120.400 0.058 0.000 2.529 183 D HA 0.488 5.126 4.640 -0.002 0.000 0.273 183 D C 1.040 177.371 176.300 0.052 0.000 1.197 183 D CA -0.593 53.441 54.000 0.056 0.000 1.070 183 D CB 0.587 41.411 40.800 0.040 0.000 1.134 183 D HN 0.483 nan 8.370 nan 0.000 0.590 184 N N -0.014 118.728 118.700 0.071 0.000 2.374 184 N HA 0.010 4.748 4.740 -0.002 0.000 0.241 184 N C 0.131 175.638 175.510 -0.005 0.000 1.262 184 N CA 0.227 53.311 53.050 0.056 0.000 0.880 184 N CB 0.235 38.772 38.487 0.083 0.000 1.105 184 N HN 0.361 nan 8.380 nan 0.000 0.438 185 M N 1.977 121.555 119.600 -0.036 0.000 2.290 185 M HA -0.061 4.418 4.480 -0.002 0.000 0.356 185 M C -0.051 176.230 176.300 -0.032 0.000 1.448 185 M CA 0.323 55.565 55.300 -0.097 0.000 0.993 185 M CB 0.297 32.860 32.600 -0.062 0.000 1.934 185 M HN 0.375 nan 8.290 nan 0.000 0.461 186 R N 4.317 124.794 120.500 -0.039 0.000 2.570 186 R HA -0.031 4.308 4.340 -0.002 0.000 0.277 186 R C 0.343 176.649 176.300 0.011 0.000 1.039 186 R CA 0.174 56.271 56.100 -0.004 0.000 1.065 186 R CB 0.244 30.544 30.300 0.000 0.000 0.964 186 R HN 0.754 nan 8.270 nan 0.000 0.428 187 E N -1.456 118.752 120.200 0.014 0.000 3.763 187 E HA -0.158 4.190 4.350 -0.002 0.000 0.319 187 E C -0.697 175.908 176.600 0.009 0.000 0.804 187 E CA 0.702 57.110 56.400 0.013 0.000 1.196 187 E CB -1.623 28.087 29.700 0.015 0.000 1.607 187 E HN 0.312 nan 8.360 nan 0.000 0.431 188 V N 0.297 120.219 119.914 0.013 0.000 2.539 188 V HA 0.556 4.675 4.120 -0.002 0.000 0.292 188 V C 1.330 177.430 176.094 0.011 0.000 1.045 188 V CA 0.569 62.872 62.300 0.005 0.000 0.945 188 V CB 1.652 33.487 31.823 0.020 0.000 0.993 188 V HN 0.282 nan 8.190 nan 0.000 0.464 189 A N 3.521 126.339 122.820 -0.003 0.000 1.920 189 A HA 0.099 4.418 4.320 -0.002 0.000 0.209 189 A C 1.810 179.398 177.584 0.006 0.000 1.229 189 A CA 1.016 53.056 52.037 0.005 0.000 0.671 189 A CB -0.288 18.710 19.000 -0.004 0.000 0.886 189 A HN 0.629 nan 8.150 nan 0.000 0.461 190 V N 1.129 121.044 119.914 0.002 0.000 2.548 190 V HA -0.164 3.955 4.120 -0.002 0.000 0.249 190 V C 2.661 178.732 176.094 -0.039 0.000 1.055 190 V CA 2.201 64.503 62.300 0.003 0.000 1.065 190 V CB -1.642 30.211 31.823 0.050 0.000 0.681 190 V HN 0.755 nan 8.190 nan 0.000 0.462 191 T N -3.341 111.194 114.554 -0.031 0.000 3.067 191 T HA -0.014 4.335 4.350 -0.002 0.000 0.261 191 T C 0.826 175.458 174.700 -0.114 0.000 1.110 191 T CA 0.270 62.309 62.100 -0.102 0.000 1.113 191 T CB -0.091 68.766 68.868 -0.019 0.000 0.917 191 T HN 0.426 nan 8.240 nan 0.000 0.499 192 D N 0.961 121.364 120.400 0.005 0.000 2.414 192 D HA 0.570 5.209 4.640 -0.002 0.000 0.251 192 D C 0.591 176.982 176.300 0.152 0.000 1.252 192 D CA 1.008 55.083 54.000 0.124 0.000 0.999 192 D CB 1.335 42.198 40.800 0.104 0.000 1.093 192 D HN 0.534 nan 8.370 nan 0.000 0.515 193 G N 0.159 109.148 108.800 0.315 0.000 2.369 193 G HA2 0.034 3.992 3.960 -0.002 0.000 0.293 193 G HA3 0.034 3.992 3.960 -0.002 0.000 0.293 193 G C -1.603 173.593 174.900 0.493 0.000 1.301 193 G CA -0.642 44.681 45.100 0.371 0.000 0.913 193 G HN 0.441 nan 8.290 nan 0.000 0.540 194 D N 0.218 120.879 120.400 0.434 0.000 2.456 194 D HA 0.374 5.012 4.640 -0.002 0.000 0.219 194 D C 1.386 177.817 176.300 0.218 0.000 1.126 194 D CA -0.424 53.729 54.000 0.255 0.000 0.890 194 D CB 1.216 42.110 40.800 0.157 0.000 1.025 194 D HN 0.434 nan 8.370 nan 0.000 0.511 195 K N 1.503 121.852 120.400 -0.085 0.000 2.152 195 K HA -0.090 4.229 4.320 -0.002 0.000 0.206 195 K C 1.887 178.380 176.600 -0.179 0.000 1.048 195 K CA 0.733 56.759 56.287 -0.434 0.000 0.933 195 K CB 0.284 32.418 32.500 -0.610 0.000 0.721 195 K HN 0.234 nan 8.250 nan 0.000 0.447 196 V N 1.329 121.195 119.914 -0.081 0.000 2.295 196 V HA -0.284 3.835 4.120 -0.002 0.000 0.246 196 V C 2.343 178.429 176.094 -0.014 0.000 1.049 196 V CA 2.090 64.359 62.300 -0.051 0.000 1.024 196 V CB -0.683 31.121 31.823 -0.031 0.000 0.648 196 V HN 0.392 nan 8.190 nan 0.000 0.447 197 A N -0.095 122.759 122.820 0.057 0.000 1.908 197 A HA -0.179 4.139 4.320 -0.002 0.000 0.218 197 A C 2.409 180.092 177.584 0.165 0.000 1.181 197 A CA 2.305 54.416 52.037 0.124 0.000 0.627 197 A CB -0.789 18.324 19.000 0.189 0.000 0.818 197 A HN 0.593 nan 8.150 nan 0.000 0.445 198 A N -1.082 121.847 122.820 0.181 0.000 1.898 198 A HA -0.199 4.119 4.320 -0.002 0.000 0.216 198 A C 2.187 179.588 177.584 -0.305 0.000 1.181 198 A CA 1.796 53.840 52.037 0.011 0.000 0.620 198 A CB -0.568 18.479 19.000 0.078 0.000 0.819 198 A HN 0.640 nan 8.150 nan 0.000 0.442 199 Q N -0.473 119.175 119.800 -0.253 0.000 2.124 199 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 199 Q C 1.897 177.807 176.000 -0.151 0.000 0.977 199 Q CA 1.532 57.199 55.803 -0.227 0.000 0.850 199 Q CB -0.255 28.402 28.738 -0.135 0.000 0.901 199 Q HN 0.732 nan 8.270 nan 0.000 0.429 200 I N 0.371 120.877 120.570 -0.107 0.000 2.142 200 I HA -0.279 3.890 4.170 -0.002 0.000 0.240 200 I C 2.382 178.419 176.117 -0.133 0.000 1.078 200 I CA 1.244 62.491 61.300 -0.088 0.000 1.343 200 I CB -0.217 37.751 38.000 -0.054 0.000 1.046 200 I HN 0.109 nan 8.210 nan 0.000 0.405 201 K N 1.074 121.353 120.400 -0.202 0.000 2.007 201 K HA -0.081 4.238 4.320 -0.002 0.000 0.206 201 K C 1.654 177.952 176.600 -0.503 0.000 1.047 201 K CA 1.975 58.020 56.287 -0.403 0.000 0.937 201 K CB -0.294 31.842 32.500 -0.607 0.000 0.718 201 K HN 0.173 nan 8.250 nan 0.000 0.438 202 F N -1.522 118.293 119.950 -0.224 0.000 2.622 202 F HA 0.317 4.842 4.527 -0.002 0.000 0.288 202 F C 1.623 177.356 175.800 -0.111 0.000 1.120 202 F CA 0.524 58.408 58.000 -0.194 0.000 1.423 202 F CB 0.618 39.411 39.000 -0.344 0.000 1.127 202 F HN 0.295 nan 8.300 nan 0.000 0.588 203 G N 0.565 109.332 108.800 -0.055 0.000 2.213 203 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.236 203 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.236 203 G C 0.392 175.300 174.900 0.013 0.000 0.991 203 G CA 0.011 45.090 45.100 -0.035 0.000 0.629 203 G HN 0.344 nan 8.290 nan 0.000 0.517 204 F N 2.264 122.272 119.950 0.096 0.000 2.410 204 F HA 0.737 5.262 4.527 -0.002 0.000 0.334 204 F C 0.566 176.407 175.800 0.069 0.000 1.134 204 F CA -0.542 57.504 58.000 0.076 0.000 1.227 204 F CB 0.835 39.880 39.000 0.075 0.000 1.194 204 F HN 0.451 nan 8.300 nan 0.000 0.571 205 S N 1.384 117.287 115.700 0.339 0.000 2.578 205 S HA 0.836 5.304 4.470 -0.002 0.000 0.301 205 S C -1.204 173.547 174.600 0.252 0.000 1.091 205 S CA -0.726 57.599 58.200 0.207 0.000 1.032 205 S CB 1.772 65.078 63.200 0.177 0.000 1.064 205 S HN 0.777 nan 8.310 nan 0.000 0.508 206 V N 3.140 123.112 119.914 0.096 0.000 2.567 206 V HA 0.577 4.696 4.120 -0.002 0.000 0.298 206 V C -0.957 175.126 176.094 -0.019 0.000 1.047 206 V CA -0.667 61.650 62.300 0.028 0.000 0.880 206 V CB 1.403 33.084 31.823 -0.237 0.000 1.009 206 V HN 0.996 nan 8.190 nan 0.000 0.429 207 N N 1.579 120.335 118.700 0.093 0.000 2.525 207 N HA 0.606 5.344 4.740 -0.002 0.000 0.270 207 N C -0.831 174.693 175.510 0.023 0.000 1.321 207 N CA -0.547 52.508 53.050 0.009 0.000 0.797 207 N CB 2.759 41.248 38.487 0.003 0.000 1.529 207 N HN 0.707 nan 8.380 nan 0.000 0.491 208 T N -1.901 112.565 114.554 -0.146 0.000 2.807 208 T HA 0.471 4.819 4.350 -0.002 0.000 0.279 208 T C -0.917 173.672 174.700 -0.184 0.000 0.993 208 T CA -0.608 61.450 62.100 -0.069 0.000 0.970 208 T CB 0.857 69.697 68.868 -0.047 0.000 0.950 208 T HN 0.313 nan 8.240 nan 0.000 0.441 209 W N 2.447 123.724 121.300 -0.038 0.000 2.469 209 W HA 0.612 5.271 4.660 -0.002 0.000 0.320 209 W C 0.447 177.040 176.519 0.125 0.000 1.086 209 W CA -1.215 56.188 57.345 0.097 0.000 1.211 209 W CB 1.818 31.424 29.460 0.244 0.000 1.298 209 W HN 1.013 nan 8.180 nan 0.000 0.525 210 A N 2.727 125.711 122.820 0.273 0.000 2.488 210 A HA 0.187 4.505 4.320 -0.002 0.000 0.249 210 A C 0.972 178.690 177.584 0.223 0.000 1.083 210 A CA -0.242 51.912 52.037 0.194 0.000 0.768 210 A CB 0.732 19.807 19.000 0.126 0.000 1.017 210 A HN 0.600 nan 8.150 nan 0.000 0.496 211 V N 3.808 123.827 119.914 0.176 0.000 2.357 211 V HA -0.353 3.765 4.120 -0.002 0.000 0.257 211 V C 2.706 178.814 176.094 0.024 0.000 1.082 211 V CA 2.820 65.168 62.300 0.081 0.000 1.078 211 V CB -1.280 30.594 31.823 0.084 0.000 0.663 211 V HN 1.103 nan 8.190 nan 0.000 0.455 212 G N -0.813 108.028 108.800 0.070 0.000 2.442 212 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.219 212 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.219 212 G C 1.135 176.083 174.900 0.081 0.000 1.141 212 G CA 1.156 46.293 45.100 0.062 0.000 0.763 212 G HN 0.563 nan 8.290 nan 0.000 0.554 213 D N -0.277 120.215 120.400 0.153 0.000 2.144 213 D HA -0.080 4.559 4.640 -0.002 0.000 0.199 213 D C 2.243 178.643 176.300 0.167 0.000 0.984 213 D CA 0.409 54.568 54.000 0.264 0.000 0.834 213 D CB -0.128 40.987 40.800 0.525 0.000 0.955 213 D HN 0.240 nan 8.370 nan 0.000 0.465 214 L N 0.190 121.332 121.223 -0.134 0.000 2.027 214 L HA -0.082 4.257 4.340 -0.002 0.000 0.206 214 L C 2.030 178.777 176.870 -0.205 0.000 1.074 214 L CA 1.321 55.893 54.840 -0.447 0.000 0.745 214 L CB -0.513 41.023 42.059 -0.871 0.000 0.898 214 L HN -0.059 nan 8.230 nan 0.000 0.433 215 V N -0.223 119.613 119.914 -0.129 0.000 2.407 215 V HA -0.337 3.781 4.120 -0.002 0.000 0.248 215 V C 2.631 178.710 176.094 -0.024 0.000 1.055 215 V CA 1.986 64.240 62.300 -0.075 0.000 1.049 215 V CB -0.552 31.249 31.823 -0.036 0.000 0.662 215 V HN 0.667 nan 8.190 nan 0.000 0.455 216 Q N -0.395 119.417 119.800 0.019 0.000 2.061 216 Q HA -0.198 4.141 4.340 -0.002 0.000 0.204 216 Q C 2.222 178.246 176.000 0.041 0.000 0.984 216 Q CA 2.371 58.200 55.803 0.043 0.000 0.846 216 Q CB -0.073 28.714 28.738 0.081 0.000 0.902 216 Q HN 0.529 nan 8.270 nan 0.000 0.421 217 V N -0.051 119.900 119.914 0.062 0.000 2.358 217 V HA -0.217 3.901 4.120 -0.002 0.000 0.246 217 V C 2.342 178.439 176.094 0.005 0.000 1.047 217 V CA 1.332 63.670 62.300 0.063 0.000 1.035 217 V CB -0.399 31.521 31.823 0.162 0.000 0.658 217 V HN 0.247 nan 8.190 nan 0.000 0.452 218 V N 0.940 120.830 119.914 -0.040 0.000 2.287 218 V HA -0.265 3.854 4.120 -0.002 0.000 0.248 218 V C 2.219 178.293 176.094 -0.035 0.000 1.053 218 V CA 2.269 64.532 62.300 -0.061 0.000 1.027 218 V CB -0.829 30.933 31.823 -0.101 0.000 0.646 218 V HN 0.594 nan 8.190 nan 0.000 0.447 219 N N 0.407 119.093 118.700 -0.022 0.000 2.520 219 N HA -0.082 4.657 4.740 -0.002 0.000 0.185 219 N C 1.807 177.314 175.510 -0.005 0.000 1.068 219 N CA 1.336 54.379 53.050 -0.012 0.000 0.911 219 N CB -0.211 38.273 38.487 -0.004 0.000 0.961 219 N HN 0.663 nan 8.380 nan 0.000 0.446 220 S N -0.536 115.164 115.700 -0.002 0.000 2.575 220 S HA 0.147 4.616 4.470 -0.002 0.000 0.215 220 S C 0.627 175.224 174.600 -0.006 0.000 0.966 220 S CA -0.412 57.788 58.200 0.001 0.000 0.911 220 S CB 0.014 63.220 63.200 0.010 0.000 0.780 220 S HN -0.048 nan 8.310 nan 0.000 0.514 221 I N 4.067 124.630 120.570 -0.012 0.000 2.496 221 I HA 0.199 4.368 4.170 -0.002 0.000 0.285 221 I C 1.035 177.141 176.117 -0.018 0.000 1.080 221 I CA -0.208 61.081 61.300 -0.018 0.000 1.404 221 I CB 0.528 38.512 38.000 -0.025 0.000 1.403 221 I HN 0.389 nan 8.210 nan 0.000 0.539 222 S N 4.306 119.994 115.700 -0.019 0.000 2.585 222 S HA 0.110 4.578 4.470 -0.002 0.000 0.273 222 S C 0.751 175.338 174.600 -0.023 0.000 1.339 222 S CA -0.588 57.601 58.200 -0.018 0.000 1.028 222 S CB 1.187 64.377 63.200 -0.017 0.000 0.906 222 S HN 0.538 nan 8.310 nan 0.000 0.528 223 D N 2.393 122.780 120.400 -0.020 0.000 2.218 223 D HA 0.002 4.641 4.640 -0.002 0.000 0.204 223 D C 1.976 178.259 176.300 -0.029 0.000 0.976 223 D CA 1.446 55.432 54.000 -0.023 0.000 0.853 223 D CB -0.808 39.981 40.800 -0.018 0.000 0.939 223 D HN 0.783 nan 8.370 nan 0.000 0.481 224 G N 1.022 109.805 108.800 -0.028 0.000 2.414 224 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.215 224 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.215 224 G C 1.338 176.213 174.900 -0.042 0.000 1.188 224 G CA 0.529 45.609 45.100 -0.032 0.000 0.783 224 G HN 0.097 nan 8.290 nan 0.000 0.537 225 D N 0.293 120.669 120.400 -0.040 0.000 2.149 225 D HA -0.103 4.536 4.640 -0.002 0.000 0.198 225 D C 2.756 179.016 176.300 -0.067 0.000 0.990 225 D CA 0.694 54.665 54.000 -0.049 0.000 0.839 225 D CB -0.424 40.353 40.800 -0.039 0.000 0.948 225 D HN 0.190 nan 8.370 nan 0.000 0.460 226 V N 1.557 121.435 119.914 -0.060 0.000 2.237 226 V HA -0.260 3.858 4.120 -0.002 0.000 0.245 226 V C 2.021 178.058 176.094 -0.094 0.000 1.046 226 V CA 1.724 63.982 62.300 -0.070 0.000 1.007 226 V CB -0.521 31.275 31.823 -0.045 0.000 0.638 226 V HN 0.138 nan 8.190 nan 0.000 0.445 227 N N 0.626 119.282 118.700 -0.073 0.000 2.149 227 N HA -0.133 4.606 4.740 -0.002 0.000 0.188 227 N C 1.819 177.271 175.510 -0.097 0.000 1.019 227 N CA 1.645 54.651 53.050 -0.074 0.000 0.857 227 N CB -0.669 37.788 38.487 -0.051 0.000 0.997 227 N HN 0.507 nan 8.380 nan 0.000 0.426 228 A N 0.740 123.504 122.820 -0.094 0.000 1.908 228 A HA -0.096 4.223 4.320 -0.002 0.000 0.218 228 A C 2.203 179.695 177.584 -0.153 0.000 1.181 228 A CA 1.054 53.032 52.037 -0.099 0.000 0.627 228 A CB -0.712 18.242 19.000 -0.077 0.000 0.818 228 A HN 0.246 nan 8.150 nan 0.000 0.445 229 L N -0.223 120.870 121.223 -0.217 0.000 2.093 229 L HA -0.060 4.279 4.340 -0.002 0.000 0.208 229 L C 2.328 178.816 176.870 -0.636 0.000 1.085 229 L CA 1.551 56.164 54.840 -0.379 0.000 0.755 229 L CB -0.328 41.496 42.059 -0.391 0.000 0.904 229 L HN 0.148 nan 8.230 nan 0.000 0.435 230 V N -0.171 119.466 119.914 -0.461 0.000 2.407 230 V HA -0.263 3.856 4.120 -0.002 0.000 0.248 230 V C 2.141 178.168 176.094 -0.113 0.000 1.055 230 V CA 1.780 63.905 62.300 -0.292 0.000 1.049 230 V CB -0.832 30.935 31.823 -0.093 0.000 0.662 230 V HN 0.447 nan 8.190 nan 0.000 0.455 231 D N -0.155 120.177 120.400 -0.112 0.000 2.144 231 D HA -0.201 4.437 4.640 -0.002 0.000 0.199 231 D C 2.132 178.400 176.300 -0.053 0.000 0.984 231 D CA 1.402 55.366 54.000 -0.061 0.000 0.834 231 D CB -0.102 40.661 40.800 -0.061 0.000 0.955 231 D HN 0.594 nan 8.370 nan 0.000 0.465 232 E N -0.578 119.563 120.200 -0.098 0.000 2.216 232 E HA -0.115 4.233 4.350 -0.002 0.000 0.192 232 E C 1.850 178.466 176.600 0.028 0.000 0.988 232 E CA 0.328 56.690 56.400 -0.064 0.000 0.834 232 E CB 0.025 29.677 29.700 -0.080 0.000 0.772 232 E HN 0.459 nan 8.360 nan 0.000 0.479 233 Y N 0.750 121.058 120.300 0.013 0.000 2.145 233 Y HA -0.171 4.378 4.550 -0.002 0.000 0.286 233 Y C 2.481 178.413 175.900 0.054 0.000 1.145 233 Y CA 0.411 58.584 58.100 0.122 0.000 1.148 233 Y CB 0.083 38.670 38.460 0.211 0.000 0.981 233 Y HN 0.058 nan 8.280 nan 0.000 0.507 234 E N 0.171 120.487 120.200 0.193 0.000 2.160 234 E HA -0.188 4.161 4.350 -0.002 0.000 0.195 234 E C 2.235 178.854 176.600 0.033 0.000 0.991 234 E CA 1.602 58.063 56.400 0.102 0.000 0.810 234 E CB -0.287 29.447 29.700 0.057 0.000 0.742 234 E HN 0.459 nan 8.360 nan 0.000 0.466 235 S N -0.890 114.801 115.700 -0.015 0.000 2.478 235 S HA -0.019 4.450 4.470 -0.002 0.000 0.222 235 S C 2.141 176.661 174.600 -0.133 0.000 1.008 235 S CA 0.357 58.523 58.200 -0.058 0.000 0.928 235 S CB -0.107 63.059 63.200 -0.056 0.000 0.781 235 S HN 0.193 nan 8.310 nan 0.000 0.518 236 C N -0.006 119.126 119.300 -0.280 0.000 2.611 236 C HA 0.474 4.933 4.460 -0.002 0.000 0.282 236 C C 0.428 175.058 174.990 -0.600 0.000 1.321 236 C CA -0.491 58.179 59.018 -0.580 0.000 1.747 236 C CB -0.855 26.221 27.740 -1.106 0.000 2.124 236 C HN 0.634 nan 8.230 nan 0.000 0.531 237 Y N -0.708 119.617 120.300 0.042 0.000 2.633 237 Y HA 0.390 4.939 4.550 -0.002 0.000 0.339 237 Y C 0.363 176.276 175.900 0.021 0.000 1.045 237 Y CA -0.881 57.232 58.100 0.022 0.000 1.098 237 Y CB 0.690 39.151 38.460 0.001 0.000 1.296 237 Y HN -0.292 nan 8.280 nan 0.000 0.494 238 T N 3.898 118.576 114.554 0.206 0.000 2.762 238 T HA 0.272 4.620 4.350 -0.002 0.000 0.303 238 T C -0.246 174.511 174.700 0.094 0.000 0.977 238 T CA -0.687 61.480 62.100 0.112 0.000 0.961 238 T CB -0.096 68.819 68.868 0.080 0.000 0.944 238 T HN 0.223 nan 8.240 nan 0.000 0.481 239 M N 3.987 123.638 119.600 0.084 0.000 2.188 239 M HA 0.207 4.686 4.480 -0.002 0.000 0.354 239 M C 1.182 177.504 176.300 0.037 0.000 1.342 239 M CA -0.522 54.815 55.300 0.062 0.000 1.117 239 M CB -0.099 32.542 32.600 0.068 0.000 1.670 239 M HN 0.671 nan 8.290 nan 0.000 0.466 240 T N 1.214 115.780 114.554 0.020 0.000 2.766 240 T HA 0.282 4.630 4.350 -0.002 0.000 0.295 240 T C -1.900 172.809 174.700 0.016 0.000 1.024 240 T CA -1.330 60.777 62.100 0.011 0.000 1.018 240 T CB 0.389 69.255 68.868 -0.003 0.000 1.002 240 T HN 0.370 nan 8.240 nan 0.000 0.532 241 P HA -0.055 nan 4.420 nan 0.000 0.215 241 P C 1.757 179.070 177.300 0.022 0.000 1.157 241 P CA 1.692 64.804 63.100 0.021 0.000 0.868 241 P CB -0.432 31.278 31.700 0.017 0.000 0.788 242 A N -1.143 121.685 122.820 0.013 0.000 2.032 242 A HA -0.202 4.117 4.320 -0.002 0.000 0.221 242 A C 2.188 179.780 177.584 0.013 0.000 1.165 242 A CA 2.357 54.401 52.037 0.012 0.000 0.645 242 A CB -1.871 17.130 19.000 0.003 0.000 0.807 242 A HN 0.191 nan 8.150 nan 0.000 0.453 243 T N -0.343 114.218 114.554 0.012 0.000 2.942 243 T HA 0.011 4.360 4.350 -0.002 0.000 0.265 243 T C 1.147 175.862 174.700 0.025 0.000 1.062 243 T CA 0.763 62.874 62.100 0.017 0.000 1.139 243 T CB -0.056 68.821 68.868 0.015 0.000 0.883 243 T HN 0.638 nan 8.240 nan 0.000 0.468 244 Q N 0.138 119.952 119.800 0.024 0.000 2.500 244 Q HA 0.350 4.689 4.340 -0.002 0.000 0.215 244 Q C -0.042 175.947 176.000 -0.019 0.000 1.062 244 Q CA -0.271 55.541 55.803 0.015 0.000 0.996 244 Q CB 0.451 29.205 28.738 0.026 0.000 1.239 244 Q HN 0.379 nan 8.270 nan 0.000 0.578 245 I N 2.076 122.599 120.570 -0.078 0.000 2.710 245 I HA -0.173 3.996 4.170 -0.002 0.000 0.286 245 I C 0.091 176.060 176.117 -0.247 0.000 1.181 245 I CA 0.393 61.547 61.300 -0.243 0.000 1.430 245 I CB 0.034 37.796 38.000 -0.396 0.000 1.367 245 I HN 0.748 nan 8.210 nan 0.000 0.577 246 H N 1.236 120.312 119.070 0.011 0.000 3.642 246 H HA -0.128 4.427 4.556 -0.002 0.000 0.185 246 H C 0.695 176.027 175.328 0.007 0.000 0.992 246 H CA 0.655 56.708 56.048 0.008 0.000 1.216 246 H CB -1.806 27.960 29.762 0.006 0.000 1.055 246 H HN 0.805 nan 8.280 nan 0.000 0.351 247 G N 0.520 109.368 108.800 0.079 0.000 2.476 247 G HA2 0.302 4.260 3.960 -0.002 0.000 0.269 247 G HA3 0.302 4.260 3.960 -0.002 0.000 0.269 247 G C 0.935 175.858 174.900 0.037 0.000 1.195 247 G CA -0.109 45.023 45.100 0.052 0.000 0.843 247 G HN 0.321 nan 8.290 nan 0.000 0.545 248 E N 0.245 120.462 120.200 0.028 0.000 2.204 248 E HA -0.082 4.267 4.350 -0.002 0.000 0.195 248 E C 0.897 177.505 176.600 0.012 0.000 0.990 248 E CA 0.722 57.134 56.400 0.019 0.000 0.821 248 E CB 0.153 29.860 29.700 0.011 0.000 0.750 248 E HN 0.264 nan 8.360 nan 0.000 0.477 249 K N 0.650 121.056 120.400 0.010 0.000 2.699 249 K HA 0.148 4.467 4.320 -0.002 0.000 0.210 249 K C 1.001 177.606 176.600 0.009 0.000 1.076 249 K CA -0.127 56.163 56.287 0.006 0.000 1.109 249 K CB 0.881 33.382 32.500 0.000 0.000 0.862 249 K HN -0.105 nan 8.250 nan 0.000 0.470 250 R N 1.661 122.168 120.500 0.011 0.000 2.075 250 R HA -0.129 4.210 4.340 -0.002 0.000 0.232 250 R C 2.006 178.314 176.300 0.013 0.000 1.126 250 R CA 1.721 57.827 56.100 0.010 0.000 0.963 250 R CB -0.092 30.207 30.300 -0.002 0.000 0.858 250 R HN 0.096 nan 8.270 nan 0.000 0.435 251 Q N 0.252 120.058 119.800 0.010 0.000 2.119 251 Q HA -0.041 4.298 4.340 -0.002 0.000 0.201 251 Q C 1.305 177.312 176.000 0.012 0.000 0.972 251 Q CA 2.042 57.851 55.803 0.009 0.000 0.847 251 Q CB -0.270 28.471 28.738 0.006 0.000 0.903 251 Q HN 0.457 nan 8.270 nan 0.000 0.433 252 N N -1.113 117.592 118.700 0.009 0.000 2.272 252 N HA -0.130 4.609 4.740 -0.002 0.000 0.185 252 N C 1.329 176.848 175.510 0.015 0.000 1.014 252 N CA 1.294 54.348 53.050 0.006 0.000 0.870 252 N CB -0.050 38.437 38.487 -0.001 0.000 0.975 252 N HN 0.092 nan 8.380 nan 0.000 0.433 253 V N 0.613 120.545 119.914 0.031 0.000 2.346 253 V HA -0.075 4.044 4.120 -0.002 0.000 0.244 253 V C 2.107 178.265 176.094 0.107 0.000 1.037 253 V CA 1.046 63.388 62.300 0.070 0.000 1.029 253 V CB -0.543 31.334 31.823 0.090 0.000 0.663 253 V HN 0.261 nan 8.190 nan 0.000 0.454 254 L N -0.326 120.936 121.223 0.065 0.000 2.042 254 L HA -0.153 4.186 4.340 -0.002 0.000 0.210 254 L C 2.734 179.625 176.870 0.036 0.000 1.076 254 L CA 1.469 56.335 54.840 0.044 0.000 0.749 254 L CB -0.904 41.163 42.059 0.014 0.000 0.893 254 L HN 0.320 nan 8.230 nan 0.000 0.432 255 E N 0.611 120.826 120.200 0.024 0.000 2.118 255 E HA -0.216 4.133 4.350 -0.002 0.000 0.195 255 E C 2.296 178.905 176.600 0.014 0.000 0.992 255 E CA 1.475 57.881 56.400 0.009 0.000 0.804 255 E CB -0.218 29.483 29.700 0.000 0.000 0.741 255 E HN 0.502 nan 8.360 nan 0.000 0.458 256 A N 1.612 124.454 122.820 0.038 0.000 1.858 256 A HA -0.088 4.230 4.320 -0.002 0.000 0.216 256 A C 2.487 180.130 177.584 0.099 0.000 1.190 256 A CA 2.223 54.287 52.037 0.046 0.000 0.617 256 A CB -0.777 18.245 19.000 0.037 0.000 0.827 256 A HN 0.277 nan 8.150 nan 0.000 0.443 257 A N -0.350 122.580 122.820 0.184 0.000 1.917 257 A HA -0.255 4.064 4.320 -0.002 0.000 0.219 257 A C 2.282 179.881 177.584 0.025 0.000 1.182 257 A CA 2.029 54.149 52.037 0.137 0.000 0.633 257 A CB -0.596 18.413 19.000 0.015 0.000 0.819 257 A HN 0.567 nan 8.150 nan 0.000 0.448 258 R N -0.429 120.074 120.500 0.005 0.000 2.080 258 R HA -0.123 4.215 4.340 -0.002 0.000 0.236 258 R C 2.074 178.349 176.300 -0.042 0.000 1.137 258 R CA 1.919 58.005 56.100 -0.023 0.000 0.943 258 R CB -0.425 29.862 30.300 -0.023 0.000 0.846 258 R HN 0.572 nan 8.270 nan 0.000 0.431 259 I N 0.695 121.238 120.570 -0.045 0.000 2.127 259 I HA -0.299 3.870 4.170 -0.002 0.000 0.241 259 I C 2.594 178.646 176.117 -0.108 0.000 1.075 259 I CA 1.700 62.946 61.300 -0.091 0.000 1.334 259 I CB -0.448 37.497 38.000 -0.091 0.000 1.040 259 I HN 0.406 nan 8.210 nan 0.000 0.405 260 E N 1.206 121.371 120.200 -0.057 0.000 2.114 260 E HA -0.268 4.081 4.350 -0.002 0.000 0.199 260 E C 2.301 178.857 176.600 -0.073 0.000 1.008 260 E CA 1.541 57.909 56.400 -0.054 0.000 0.810 260 E CB -0.109 29.621 29.700 0.050 0.000 0.739 260 E HN 0.458 nan 8.360 nan 0.000 0.456 261 L N -0.271 120.921 121.223 -0.051 0.000 2.156 261 L HA -0.043 4.296 4.340 -0.002 0.000 0.208 261 L C 2.557 179.391 176.870 -0.060 0.000 1.095 261 L CA 0.942 55.751 54.840 -0.050 0.000 0.770 261 L CB -0.421 41.612 42.059 -0.043 0.000 0.914 261 L HN 0.297 nan 8.230 nan 0.000 0.439 262 G N -0.399 108.354 108.800 -0.079 0.000 2.404 262 G HA2 -0.230 3.728 3.960 -0.002 0.000 0.215 262 G HA3 -0.230 3.728 3.960 -0.002 0.000 0.215 262 G C 1.631 176.469 174.900 -0.105 0.000 1.174 262 G CA 0.430 45.482 45.100 -0.079 0.000 0.780 262 G HN 0.149 nan 8.290 nan 0.000 0.537 263 M N 0.043 119.516 119.600 -0.212 0.000 2.159 263 M HA -0.035 4.444 4.480 -0.002 0.000 0.263 263 M C 2.586 178.752 176.300 -0.223 0.000 1.063 263 M CA 1.274 56.387 55.300 -0.311 0.000 1.110 263 M CB -0.261 32.062 32.600 -0.462 0.000 1.374 263 M HN 0.139 nan 8.290 nan 0.000 0.411 264 K N 0.343 120.639 120.400 -0.175 0.000 1.985 264 K HA -0.186 4.133 4.320 -0.002 0.000 0.210 264 K C 2.504 179.083 176.600 -0.036 0.000 1.047 264 K CA 2.059 58.271 56.287 -0.126 0.000 0.932 264 K CB -0.283 32.181 32.500 -0.060 0.000 0.716 264 K HN 0.336 nan 8.250 nan 0.000 0.439 265 R N 0.732 121.227 120.500 -0.009 0.000 2.105 265 R HA -0.178 4.161 4.340 -0.002 0.000 0.239 265 R C 1.949 178.268 176.300 0.032 0.000 1.135 265 R CA 2.009 58.115 56.100 0.010 0.000 0.967 265 R CB -1.707 28.598 30.300 0.008 0.000 0.861 265 R HN 0.340 nan 8.270 nan 0.000 0.442 266 F N 0.669 120.571 119.950 -0.080 0.000 2.146 266 F HA 0.022 4.548 4.527 -0.002 0.000 0.298 266 F C 2.110 177.917 175.800 0.012 0.000 1.096 266 F CA 1.665 59.633 58.000 -0.052 0.000 1.275 266 F CB 0.016 38.974 39.000 -0.069 0.000 1.008 266 F HN 0.124 nan 8.300 nan 0.000 0.480 267 L N -0.229 121.121 121.223 0.211 0.000 2.109 267 L HA -0.136 4.203 4.340 -0.002 0.000 0.207 267 L C 2.310 179.294 176.870 0.190 0.000 1.086 267 L CA 1.216 56.216 54.840 0.266 0.000 0.760 267 L CB -0.701 41.357 42.059 -0.002 0.000 0.910 267 L HN 0.115 nan 8.230 nan 0.000 0.437 268 E N 0.028 120.280 120.200 0.086 0.000 2.051 268 E HA -0.261 4.088 4.350 -0.002 0.000 0.192 268 E C 2.187 178.752 176.600 -0.060 0.000 0.991 268 E CA 1.237 57.662 56.400 0.040 0.000 0.799 268 E CB -0.118 29.604 29.700 0.037 0.000 0.748 268 E HN 0.558 nan 8.360 nan 0.000 0.449 269 Q N -0.383 119.356 119.800 -0.102 0.000 2.291 269 Q HA -0.053 4.286 4.340 -0.002 0.000 0.205 269 Q C 1.980 177.817 176.000 -0.272 0.000 0.970 269 Q CA 1.013 56.713 55.803 -0.171 0.000 0.876 269 Q CB 0.099 28.730 28.738 -0.179 0.000 0.935 269 Q HN 0.254 nan 8.270 nan 0.000 0.455 270 G N -0.575 108.024 108.800 -0.334 0.000 3.042 270 G HA2 0.214 4.173 3.960 -0.002 0.000 0.212 270 G HA3 0.214 4.173 3.960 -0.002 0.000 0.212 270 G C 0.845 175.163 174.900 -0.969 0.000 1.166 270 G CA 0.203 44.913 45.100 -0.649 0.000 0.767 270 G HN 0.419 nan 8.290 nan 0.000 0.546 271 G N -0.482 108.014 108.800 -0.507 0.000 2.198 271 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.260 271 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.260 271 G C 0.075 174.671 174.900 -0.507 0.000 1.025 271 G CA -0.012 44.836 45.100 -0.419 0.000 0.769 271 G HN 0.303 nan 8.290 nan 0.000 0.507 272 F N -0.642 119.208 119.950 -0.166 0.000 2.370 272 F HA 0.582 5.108 4.527 -0.002 0.000 0.324 272 F C 1.604 177.309 175.800 -0.160 0.000 1.116 272 F CA -0.447 57.506 58.000 -0.079 0.000 1.123 272 F CB 0.848 39.894 39.000 0.076 0.000 1.238 272 F HN 0.120 nan 8.300 nan 0.000 0.536 273 H N 0.511 119.848 119.070 0.445 0.000 3.046 273 H HA 0.609 5.164 4.556 -0.002 0.000 0.262 273 H C -0.018 175.525 175.328 0.359 0.000 1.044 273 H CA 0.417 56.634 56.048 0.282 0.000 1.209 273 H CB 0.828 30.669 29.762 0.131 0.000 1.507 273 H HN 0.540 nan 8.280 nan 0.000 0.507 274 A N 0.967 124.091 122.820 0.507 0.000 2.601 274 A HA 0.563 4.881 4.320 -0.002 0.000 0.291 274 A C -1.778 176.013 177.584 0.344 0.000 1.075 274 A CA -0.713 51.535 52.037 0.353 0.000 0.671 274 A CB 1.410 20.475 19.000 0.109 0.000 1.277 274 A HN 0.165 nan 8.150 nan 0.000 0.417 275 F N -1.564 118.457 119.950 0.118 0.000 2.741 275 F HA 0.873 5.399 4.527 -0.002 0.000 0.313 275 F C -0.294 175.556 175.800 0.083 0.000 1.153 275 F CA -0.136 57.875 58.000 0.019 0.000 0.931 275 F CB 1.238 40.245 39.000 0.012 0.000 1.335 275 F HN 1.005 nan 8.300 nan 0.000 0.460 276 T N -1.877 112.793 114.554 0.193 0.000 2.887 276 T HA 0.791 5.140 4.350 -0.002 0.000 0.292 276 T C -1.109 173.840 174.700 0.414 0.000 1.087 276 T CA -0.664 61.484 62.100 0.080 0.000 1.009 276 T CB 1.898 70.724 68.868 -0.070 0.000 1.203 276 T HN 1.015 nan 8.240 nan 0.000 0.518 277 T N -0.069 114.696 114.554 0.352 0.000 2.883 277 T HA 0.732 5.081 4.350 -0.002 0.000 0.296 277 T C -1.466 173.374 174.700 0.233 0.000 1.117 277 T CA -0.412 61.934 62.100 0.410 0.000 1.006 277 T CB 1.896 71.085 68.868 0.535 0.000 1.191 277 T HN 0.901 nan 8.240 nan 0.000 0.508 278 T N 2.658 117.324 114.554 0.187 0.000 3.109 278 T HA 0.299 4.648 4.350 -0.002 0.000 0.311 278 T C 0.729 175.464 174.700 0.058 0.000 1.011 278 T CA -0.593 61.547 62.100 0.065 0.000 1.026 278 T CB 0.718 69.577 68.868 -0.015 0.000 1.047 278 T HN 0.581 nan 8.240 nan 0.000 0.448 279 F N 1.634 121.650 119.950 0.110 0.000 2.269 279 F HA 0.109 4.635 4.527 -0.002 0.000 0.301 279 F C 1.622 177.448 175.800 0.043 0.000 1.082 279 F CA 0.908 58.949 58.000 0.068 0.000 1.360 279 F CB -0.582 38.455 39.000 0.061 0.000 1.041 279 F HN 0.546 nan 8.300 nan 0.000 0.512 280 E N -0.157 119.848 120.200 -0.324 0.000 2.472 280 E HA -0.130 4.219 4.350 -0.002 0.000 0.200 280 E C -0.045 176.549 176.600 -0.009 0.000 1.046 280 E CA 0.799 57.115 56.400 -0.139 0.000 0.871 280 E CB -0.116 29.432 29.700 -0.252 0.000 0.806 280 E HN 0.307 nan 8.360 nan 0.000 0.533 281 D N -0.179 120.230 120.400 0.015 0.000 2.429 281 D HA 0.121 4.760 4.640 -0.002 0.000 0.255 281 D C -1.048 175.294 176.300 0.070 0.000 1.257 281 D CA -0.287 53.769 54.000 0.093 0.000 0.890 281 D CB 0.416 41.285 40.800 0.114 0.000 1.267 281 D HN -0.071 nan 8.370 nan 0.000 0.521 282 L N 2.602 123.812 121.223 -0.022 0.000 3.255 282 L HA 0.314 4.653 4.340 -0.002 0.000 0.293 282 L C 0.576 177.404 176.870 -0.070 0.000 1.302 282 L CA -0.695 54.129 54.840 -0.027 0.000 0.977 282 L CB 0.181 42.228 42.059 -0.020 0.000 1.390 282 L HN 0.202 nan 8.230 nan 0.000 0.588 283 H N 1.629 120.709 119.070 0.017 0.000 3.070 283 H HA 0.221 4.776 4.556 -0.002 0.000 0.313 283 H C 1.298 176.624 175.328 -0.003 0.000 0.997 283 H CA 1.483 57.538 56.048 0.012 0.000 1.438 283 H CB 0.966 30.738 29.762 0.017 0.000 1.455 283 H HN 0.532 nan 8.280 nan 0.000 0.575 284 G N 3.075 111.921 108.800 0.077 0.000 2.232 284 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.226 284 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.226 284 G C 0.156 175.051 174.900 -0.008 0.000 0.996 284 G CA -0.224 44.897 45.100 0.035 0.000 0.626 284 G HN 0.500 nan 8.290 nan 0.000 0.509 285 L N 0.092 121.300 121.223 -0.026 0.000 2.325 285 L HA 0.706 5.044 4.340 -0.002 0.000 0.279 285 L C 1.826 178.675 176.870 -0.034 0.000 1.054 285 L CA -0.120 54.692 54.840 -0.047 0.000 0.804 285 L CB 1.259 43.277 42.059 -0.069 0.000 1.200 285 L HN 0.199 nan 8.230 nan 0.000 0.436 286 K N 2.669 123.050 120.400 -0.031 0.000 2.116 286 K HA 0.016 4.335 4.320 -0.002 0.000 0.203 286 K C 0.647 177.236 176.600 -0.018 0.000 1.052 286 K CA 1.094 57.368 56.287 -0.020 0.000 0.952 286 K CB -0.202 32.288 32.500 -0.017 0.000 0.729 286 K HN 0.788 nan 8.250 nan 0.000 0.446 287 Q N -1.382 118.403 119.800 -0.024 0.000 2.462 287 Q HA 0.588 4.926 4.340 -0.002 0.000 0.285 287 Q C -1.126 174.862 176.000 -0.019 0.000 1.035 287 Q CA -1.117 54.675 55.803 -0.019 0.000 0.799 287 Q CB 1.184 29.911 28.738 -0.020 0.000 1.452 287 Q HN 0.140 nan 8.270 nan 0.000 0.404 288 L N 1.913 123.134 121.223 -0.004 0.000 2.455 288 L HA 0.305 4.644 4.340 -0.002 0.000 0.272 288 L C -2.380 174.489 176.870 -0.001 0.000 1.174 288 L CA -0.937 53.915 54.840 0.019 0.000 0.869 288 L CB 0.191 42.283 42.059 0.055 0.000 1.130 288 L HN 0.468 nan 8.230 nan 0.000 0.474 289 P HA 0.115 nan 4.420 nan 0.000 0.260 289 P C -0.134 177.140 177.300 -0.043 0.000 1.185 289 P CA 0.507 63.581 63.100 -0.044 0.000 0.763 289 P CB 0.698 32.365 31.700 -0.055 0.000 0.776 290 G N 2.311 111.073 108.800 -0.064 0.000 2.506 290 G HA2 0.018 3.977 3.960 -0.002 0.000 0.188 290 G HA3 0.018 3.977 3.960 -0.002 0.000 0.188 290 G C 1.049 175.893 174.900 -0.093 0.000 1.780 290 G CA -0.204 44.856 45.100 -0.067 0.000 0.727 290 G HN 0.459 nan 8.290 nan 0.000 0.784 291 L N 1.019 122.172 121.223 -0.118 0.000 2.030 291 L HA -0.269 4.069 4.340 -0.002 0.000 0.222 291 L C 3.229 180.042 176.870 -0.095 0.000 1.082 291 L CA 2.456 57.199 54.840 -0.163 0.000 0.785 291 L CB -0.335 41.570 42.059 -0.257 0.000 0.895 291 L HN 0.378 nan 8.230 nan 0.000 0.439 292 A N -0.923 121.859 122.820 -0.064 0.000 1.884 292 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 292 A C 2.127 179.683 177.584 -0.047 0.000 1.197 292 A CA 2.441 54.456 52.037 -0.036 0.000 0.637 292 A CB -1.111 17.848 19.000 -0.069 0.000 0.827 292 A HN 0.366 nan 8.150 nan 0.000 0.450 293 V N 0.005 119.856 119.914 -0.104 0.000 2.515 293 V HA -0.298 3.821 4.120 -0.002 0.000 0.250 293 V C 2.614 178.645 176.094 -0.106 0.000 1.058 293 V CA 2.140 64.341 62.300 -0.166 0.000 1.064 293 V CB -0.958 30.526 31.823 -0.566 0.000 0.675 293 V HN 0.638 nan 8.190 nan 0.000 0.461 294 Q N -0.167 119.596 119.800 -0.062 0.000 2.050 294 Q HA -0.175 4.164 4.340 -0.002 0.000 0.202 294 Q C 2.496 178.535 176.000 0.064 0.000 0.980 294 Q CA 1.439 57.252 55.803 0.017 0.000 0.840 294 Q CB -0.229 28.524 28.738 0.025 0.000 0.898 294 Q HN 0.599 nan 8.270 nan 0.000 0.424 295 R N 0.311 120.852 120.500 0.068 0.000 2.115 295 R HA -0.028 4.311 4.340 -0.002 0.000 0.226 295 R C 2.337 178.730 176.300 0.155 0.000 1.100 295 R CA 0.751 56.928 56.100 0.127 0.000 0.980 295 R CB -0.216 30.183 30.300 0.165 0.000 0.875 295 R HN 0.239 nan 8.270 nan 0.000 0.445 296 L N 0.255 121.571 121.223 0.155 0.000 2.056 296 L HA -0.134 4.205 4.340 -0.002 0.000 0.207 296 L C 2.624 179.705 176.870 0.352 0.000 1.078 296 L CA 1.225 56.220 54.840 0.258 0.000 0.749 296 L CB -0.368 41.801 42.059 0.184 0.000 0.901 296 L HN 0.184 nan 8.230 nan 0.000 0.433 297 M N -0.617 119.124 119.600 0.235 0.000 2.082 297 M HA -0.325 4.153 4.480 -0.002 0.000 0.258 297 M C 2.423 178.821 176.300 0.163 0.000 1.069 297 M CA 1.937 57.351 55.300 0.190 0.000 1.102 297 M CB -0.395 32.285 32.600 0.133 0.000 1.336 297 M HN 0.326 nan 8.290 nan 0.000 0.404 298 Q N 0.102 119.988 119.800 0.142 0.000 2.167 298 Q HA -0.207 4.131 4.340 -0.002 0.000 0.202 298 Q C 1.685 177.753 176.000 0.113 0.000 0.970 298 Q CA 1.317 57.185 55.803 0.108 0.000 0.855 298 Q CB 0.079 28.872 28.738 0.092 0.000 0.911 298 Q HN 0.585 nan 8.270 nan 0.000 0.438 299 Q N -1.642 118.254 119.800 0.161 0.000 2.435 299 Q HA 0.032 4.371 4.340 -0.002 0.000 0.207 299 Q C 0.863 176.918 176.000 0.091 0.000 0.956 299 Q CA 0.692 56.585 55.803 0.151 0.000 0.917 299 Q CB 0.625 29.500 28.738 0.228 0.000 0.997 299 Q HN 0.601 nan 8.270 nan 0.000 0.497 300 G N -0.976 107.888 108.800 0.107 0.000 2.367 300 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.181 300 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.181 300 G C -0.446 174.459 174.900 0.008 0.000 1.000 300 G CA -0.743 44.362 45.100 0.007 0.000 0.693 300 G HN 0.207 nan 8.290 nan 0.000 0.480 301 Y N 1.802 122.187 120.300 0.141 0.000 2.425 301 Y HA 0.445 4.994 4.550 -0.002 0.000 0.331 301 Y C 1.516 177.467 175.900 0.085 0.000 1.157 301 Y CA 0.684 58.893 58.100 0.181 0.000 1.372 301 Y CB 0.904 39.584 38.460 0.366 0.000 1.253 301 Y HN 0.259 nan 8.280 nan 0.000 0.536 302 G N 2.451 111.349 108.800 0.164 0.000 2.503 302 G HA2 0.380 4.339 3.960 -0.002 0.000 0.257 302 G HA3 0.380 4.339 3.960 -0.002 0.000 0.257 302 G C -1.692 173.124 174.900 -0.141 0.000 1.214 302 G CA -0.142 44.963 45.100 0.010 0.000 0.839 302 G HN 0.539 nan 8.290 nan 0.000 0.559 303 F N 0.475 120.171 119.950 -0.422 0.000 2.672 303 F HA 0.636 5.162 4.527 -0.002 0.000 0.311 303 F C -0.741 174.597 175.800 -0.770 0.000 1.113 303 F CA -0.612 56.961 58.000 -0.712 0.000 0.996 303 F CB 1.319 39.831 39.000 -0.814 0.000 1.286 303 F HN 0.890 nan 8.300 nan 0.000 0.441 304 A N 2.844 124.471 122.820 -1.988 0.000 2.572 304 A HA 0.708 5.026 4.320 -0.002 0.000 0.295 304 A C 0.040 176.275 177.584 -2.247 0.000 1.072 304 A CA -0.285 50.319 52.037 -2.388 0.000 0.691 304 A CB 1.022 19.290 19.000 -1.220 0.000 1.291 304 A HN 1.485 nan 8.150 nan 0.000 0.404 305 G N -0.012 107.734 108.800 -1.756 0.000 2.529 305 G HA2 0.193 4.152 3.960 -0.002 0.000 0.167 305 G HA3 0.193 4.152 3.960 -0.002 0.000 0.167 305 G C -0.047 174.737 174.900 -0.193 0.000 1.615 305 G CA 0.568 45.327 45.100 -0.568 0.000 0.885 305 G HN 0.783 nan 8.290 nan 0.000 0.394 306 E N 0.724 121.008 120.200 0.140 0.000 1.775 306 E HA 0.419 4.767 4.350 -0.002 0.000 0.266 306 E C 0.975 177.606 176.600 0.052 0.000 1.191 306 E CA 0.682 57.154 56.400 0.120 0.000 1.048 306 E CB -0.226 29.570 29.700 0.161 0.000 1.081 306 E HN 0.788 nan 8.360 nan 0.000 0.434 307 G N 2.845 111.654 108.800 0.015 0.000 2.166 307 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.260 307 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.260 307 G C 0.077 175.018 174.900 0.068 0.000 0.986 307 G CA 0.248 45.383 45.100 0.059 0.000 0.683 307 G HN 0.544 nan 8.290 nan 0.000 0.527 308 D N 1.094 121.457 120.400 -0.062 0.000 2.508 308 D HA 0.183 4.822 4.640 -0.002 0.000 0.224 308 D C 1.817 177.998 176.300 -0.199 0.000 1.171 308 D CA -0.466 53.451 54.000 -0.139 0.000 1.006 308 D CB -0.686 40.093 40.800 -0.035 0.000 1.073 308 D HN 0.536 nan 8.370 nan 0.000 0.513 309 W N 3.163 124.418 121.300 -0.076 0.000 2.402 309 W HA -0.080 4.579 4.660 -0.002 0.000 0.286 309 W C 1.109 177.562 176.519 -0.110 0.000 1.221 309 W CA 0.022 57.317 57.345 -0.084 0.000 1.257 309 W CB -0.547 28.922 29.460 0.016 0.000 1.120 309 W HN 0.205 nan 8.180 nan 0.000 0.551 310 K N 0.860 120.934 120.400 -0.542 0.000 1.991 310 K HA -0.128 4.190 4.320 -0.002 0.000 0.212 310 K C 2.238 178.661 176.600 -0.296 0.000 1.049 310 K CA 2.840 58.871 56.287 -0.426 0.000 0.932 310 K CB -0.614 31.539 32.500 -0.579 0.000 0.717 310 K HN -0.022 nan 8.250 nan 0.000 0.441 311 T N 1.079 115.480 114.554 -0.256 0.000 2.788 311 T HA -0.150 4.199 4.350 -0.002 0.000 0.268 311 T C 1.966 176.522 174.700 -0.241 0.000 1.044 311 T CA 1.305 63.296 62.100 -0.182 0.000 1.139 311 T CB -0.292 68.537 68.868 -0.065 0.000 0.867 311 T HN 0.329 nan 8.240 nan 0.000 0.454 312 A N 1.529 124.162 122.820 -0.312 0.000 1.908 312 A HA 0.103 4.422 4.320 -0.002 0.000 0.218 312 A C 2.643 180.073 177.584 -0.256 0.000 1.181 312 A CA 1.907 53.747 52.037 -0.327 0.000 0.627 312 A CB -1.088 17.716 19.000 -0.327 0.000 0.818 312 A HN 0.527 nan 8.150 nan 0.000 0.445 313 A N -0.804 121.820 122.820 -0.326 0.000 1.897 313 A HA 0.061 4.380 4.320 -0.002 0.000 0.215 313 A C 2.102 179.423 177.584 -0.440 0.000 1.181 313 A CA 1.538 53.273 52.037 -0.504 0.000 0.620 313 A CB -0.583 17.711 19.000 -1.175 0.000 0.821 313 A HN 0.630 nan 8.150 nan 0.000 0.443 314 L N -0.659 120.328 121.223 -0.394 0.000 2.042 314 L HA -0.138 4.200 4.340 -0.002 0.000 0.210 314 L C 2.235 178.967 176.870 -0.229 0.000 1.076 314 L CA 1.885 56.535 54.840 -0.316 0.000 0.749 314 L CB -0.552 41.349 42.059 -0.263 0.000 0.893 314 L HN 0.364 nan 8.230 nan 0.000 0.432 315 L N -0.410 120.711 121.223 -0.170 0.000 2.017 315 L HA -0.197 4.142 4.340 -0.002 0.000 0.208 315 L C 2.713 179.531 176.870 -0.086 0.000 1.073 315 L CA 1.928 56.712 54.840 -0.093 0.000 0.745 315 L CB -0.742 41.290 42.059 -0.044 0.000 0.894 315 L HN 0.314 nan 8.230 nan 0.000 0.432 316 R N -0.043 120.397 120.500 -0.099 0.000 2.096 316 R HA -0.107 4.232 4.340 -0.002 0.000 0.235 316 R C 2.127 178.372 176.300 -0.093 0.000 1.127 316 R CA 1.934 57.995 56.100 -0.065 0.000 0.968 316 R CB -0.824 29.455 30.300 -0.034 0.000 0.861 316 R HN 0.519 nan 8.270 nan 0.000 0.440 317 I N -0.182 120.302 120.570 -0.143 0.000 2.142 317 I HA -0.288 3.881 4.170 -0.002 0.000 0.240 317 I C 2.274 178.310 176.117 -0.136 0.000 1.078 317 I CA 1.697 62.918 61.300 -0.131 0.000 1.343 317 I CB -0.154 37.747 38.000 -0.165 0.000 1.046 317 I HN 0.211 nan 8.210 nan 0.000 0.405 318 M N -0.295 119.201 119.600 -0.172 0.000 2.319 318 M HA -0.167 4.311 4.480 -0.002 0.000 0.265 318 M C 2.193 178.445 176.300 -0.080 0.000 1.068 318 M CA 1.480 56.688 55.300 -0.153 0.000 1.118 318 M CB -0.213 32.280 32.600 -0.179 0.000 1.395 318 M HN 0.058 nan 8.290 nan 0.000 0.435 319 K N -0.051 120.313 120.400 -0.060 0.000 2.026 319 K HA -0.117 4.202 4.320 -0.002 0.000 0.208 319 K C 1.838 178.414 176.600 -0.040 0.000 1.048 319 K CA 1.308 57.578 56.287 -0.028 0.000 0.929 319 K CB -0.178 32.314 32.500 -0.013 0.000 0.713 319 K HN 0.157 nan 8.250 nan 0.000 0.439 320 V N 1.540 121.411 119.914 -0.071 0.000 2.427 320 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 320 V C 2.275 178.299 176.094 -0.117 0.000 1.051 320 V CA 1.507 63.734 62.300 -0.122 0.000 1.048 320 V CB -0.338 31.401 31.823 -0.139 0.000 0.666 320 V HN 0.400 nan 8.190 nan 0.000 0.456 321 M N 0.999 120.566 119.600 -0.056 0.000 2.213 321 M HA -0.157 4.322 4.480 -0.002 0.000 0.263 321 M C 2.035 178.386 176.300 0.085 0.000 1.062 321 M CA 2.150 57.460 55.300 0.016 0.000 1.105 321 M CB -0.131 32.456 32.600 -0.022 0.000 1.385 321 M HN 0.539 nan 8.290 nan 0.000 0.417 322 S N -1.045 114.682 115.700 0.046 0.000 2.593 322 S HA 0.059 4.528 4.470 -0.002 0.000 0.217 322 S C 0.571 175.240 174.600 0.115 0.000 0.966 322 S CA 0.025 58.268 58.200 0.071 0.000 0.914 322 S CB -1.205 62.016 63.200 0.036 0.000 0.776 322 S HN 0.516 nan 8.310 nan 0.000 0.523 323 T N 1.358 115.998 114.554 0.143 0.000 2.866 323 T HA 0.435 4.783 4.350 -0.002 0.000 0.293 323 T C 1.505 176.367 174.700 0.270 0.000 1.005 323 T CA 0.284 62.495 62.100 0.185 0.000 1.162 323 T CB 0.237 69.176 68.868 0.118 0.000 0.968 323 T HN 0.981 nan 8.240 nan 0.000 0.530 324 G N 2.227 111.126 108.800 0.165 0.000 2.205 324 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.261 324 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.261 324 G C 0.019 174.966 174.900 0.079 0.000 0.980 324 G CA 0.020 45.193 45.100 0.120 0.000 0.632 324 G HN 0.762 nan 8.290 nan 0.000 0.533 325 L N 0.342 121.616 121.223 0.084 0.000 2.360 325 L HA 0.511 4.850 4.340 -0.002 0.000 0.271 325 L C 0.779 177.681 176.870 0.052 0.000 1.057 325 L CA -0.785 54.090 54.840 0.059 0.000 0.803 325 L CB 1.242 43.338 42.059 0.061 0.000 1.207 325 L HN 0.108 nan 8.230 nan 0.000 0.445 326 Q N 1.255 121.080 119.800 0.041 0.000 2.294 326 Q HA 0.572 4.911 4.340 -0.002 0.000 0.257 326 Q C -0.055 175.974 176.000 0.047 0.000 0.955 326 Q CA -0.156 55.669 55.803 0.036 0.000 0.936 326 Q CB 1.684 30.435 28.738 0.022 0.000 1.188 326 Q HN 0.857 nan 8.270 nan 0.000 0.420 327 G N 0.829 109.666 108.800 0.062 0.000 2.361 327 G HA2 0.200 4.158 3.960 -0.002 0.000 0.305 327 G HA3 0.200 4.158 3.960 -0.002 0.000 0.305 327 G C -0.191 174.786 174.900 0.130 0.000 1.367 327 G CA -0.403 44.763 45.100 0.111 0.000 0.951 327 G HN 0.599 nan 8.290 nan 0.000 0.615 328 G N -1.496 107.429 108.800 0.208 0.000 2.600 328 G HA2 0.580 4.539 3.960 -0.002 0.000 0.225 328 G HA3 0.580 4.539 3.960 -0.002 0.000 0.225 328 G C 0.433 175.422 174.900 0.148 0.000 1.623 328 G CA 1.378 46.591 45.100 0.189 0.000 0.903 328 G HN 2.113 nan 8.290 nan 0.000 0.574 329 T N -0.863 113.802 114.554 0.185 0.000 1.256 329 T HA 0.127 4.476 4.350 -0.002 0.000 0.701 329 T C -0.596 174.192 174.700 0.146 0.000 0.968 329 T CA 0.285 62.463 62.100 0.130 0.000 3.707 329 T CB -1.549 67.352 68.868 0.056 0.000 2.124 329 T HN 0.974 nan 8.240 nan 0.000 0.419 330 S N 1.669 117.477 115.700 0.180 0.000 2.588 330 S HA 0.810 5.278 4.470 -0.002 0.000 0.275 330 S C -0.734 173.958 174.600 0.155 0.000 1.130 330 S CA -0.992 57.303 58.200 0.159 0.000 0.855 330 S CB 1.216 64.488 63.200 0.119 0.000 1.116 330 S HN 0.794 nan 8.310 nan 0.000 0.472 331 F N 3.511 123.470 119.950 0.015 0.000 2.518 331 F HA 0.636 5.162 4.527 -0.002 0.000 0.359 331 F C -0.227 175.545 175.800 -0.047 0.000 1.118 331 F CA 0.253 58.217 58.000 -0.060 0.000 1.287 331 F CB 0.716 39.665 39.000 -0.084 0.000 1.132 331 F HN 0.633 nan 8.300 nan 0.000 0.587 332 M N 5.426 124.464 119.600 -0.937 0.000 2.414 332 M HA 0.317 4.796 4.480 -0.002 0.000 0.287 332 M C -1.886 174.029 176.300 -0.641 0.000 1.181 332 M CA -0.348 54.593 55.300 -0.598 0.000 0.933 332 M CB 1.958 34.459 32.600 -0.165 0.000 1.732 332 M HN 0.689 nan 8.290 nan 0.000 0.486 333 E N 1.775 121.780 120.200 -0.326 0.000 2.292 333 E HA 0.423 4.772 4.350 -0.002 0.000 0.272 333 E C -1.517 175.078 176.600 -0.009 0.000 0.881 333 E CA -0.635 55.685 56.400 -0.133 0.000 0.754 333 E CB 1.367 31.053 29.700 -0.025 0.000 1.201 333 E HN 0.787 nan 8.360 nan 0.000 0.425 334 D N 3.661 124.051 120.400 -0.017 0.000 2.358 334 D HA 0.082 4.720 4.640 -0.002 0.000 0.258 334 D C -0.028 176.136 176.300 -0.225 0.000 1.223 334 D CA 0.292 54.253 54.000 -0.065 0.000 0.886 334 D CB 0.535 41.306 40.800 -0.049 0.000 1.120 334 D HN 0.407 nan 8.370 nan 0.000 0.482 335 Y N 1.287 121.455 120.300 -0.220 0.000 2.301 335 Y HA 0.097 4.645 4.550 -0.002 0.000 0.295 335 Y C 1.231 176.938 175.900 -0.322 0.000 1.126 335 Y CA 0.590 58.561 58.100 -0.216 0.000 1.154 335 Y CB 1.037 39.392 38.460 -0.175 0.000 1.075 335 Y HN 0.405 nan 8.280 nan 0.000 0.534 336 T N -1.977 112.417 114.554 -0.266 0.000 2.718 336 T HA 0.379 4.728 4.350 -0.002 0.000 0.306 336 T C -2.277 172.147 174.700 -0.459 0.000 1.485 336 T CA -0.551 61.306 62.100 -0.405 0.000 0.997 336 T CB 0.393 69.165 68.868 -0.161 0.000 1.504 336 T HN -0.188 nan 8.240 nan 0.000 0.497 337 Y N 0.777 120.954 120.300 -0.205 0.000 2.598 337 Y HA 0.661 5.209 4.550 -0.002 0.000 0.340 337 Y C -0.147 175.575 175.900 -0.297 0.000 1.038 337 Y CA -1.056 56.814 58.100 -0.383 0.000 1.100 337 Y CB 1.358 39.391 38.460 -0.712 0.000 1.281 337 Y HN 0.715 nan 8.280 nan 0.000 0.488 338 H N 1.142 120.046 119.070 -0.277 0.000 2.708 338 H HA 0.480 5.035 4.556 -0.002 0.000 0.320 338 H C -1.956 173.186 175.328 -0.309 0.000 0.991 338 H CA -1.197 54.726 56.048 -0.207 0.000 1.243 338 H CB 0.112 29.793 29.762 -0.135 0.000 1.446 338 H HN 0.430 nan 8.280 nan 0.000 0.502 339 F N 3.788 123.559 119.950 -0.299 0.000 2.411 339 F HA 0.333 4.858 4.527 -0.002 0.000 0.355 339 F C 0.453 175.987 175.800 -0.443 0.000 1.117 339 F CA -0.119 57.700 58.000 -0.303 0.000 1.139 339 F CB 0.973 39.880 39.000 -0.154 0.000 1.120 339 F HN 0.529 nan 8.300 nan 0.000 0.493 340 E N 3.367 123.447 120.200 -0.200 0.000 2.388 340 E HA 0.144 4.493 4.350 -0.002 0.000 0.289 340 E C -1.288 175.278 176.600 -0.057 0.000 0.944 340 E CA -0.922 55.380 56.400 -0.165 0.000 0.792 340 E CB 1.320 30.863 29.700 -0.262 0.000 1.239 340 E HN 0.479 nan 8.360 nan 0.000 0.412 341 K N 1.478 121.864 120.400 -0.023 0.000 2.437 341 K HA 0.062 4.381 4.320 -0.002 0.000 0.277 341 K C 0.832 177.432 176.600 -0.001 0.000 1.073 341 K CA 1.681 57.964 56.287 -0.007 0.000 1.105 341 K CB 0.115 32.612 32.500 -0.004 0.000 0.881 341 K HN 0.820 nan 8.250 nan 0.000 0.475 342 G N 2.979 111.780 108.800 0.002 0.000 2.176 342 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.253 342 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.253 342 G C 0.291 175.200 174.900 0.016 0.000 0.979 342 G CA 0.342 45.448 45.100 0.010 0.000 0.641 342 G HN 0.767 nan 8.290 nan 0.000 0.530 343 N N 0.398 119.103 118.700 0.008 0.000 2.547 343 N HA 0.152 4.891 4.740 -0.002 0.000 0.285 343 N C -1.111 174.399 175.510 -0.000 0.000 1.600 343 N CA -0.380 52.688 53.050 0.030 0.000 0.872 343 N CB 0.395 38.929 38.487 0.078 0.000 1.412 343 N HN 0.105 nan 8.380 nan 0.000 0.489 344 D N 1.738 122.107 120.400 -0.051 0.000 2.382 344 D HA 0.156 4.795 4.640 -0.002 0.000 0.259 344 D C -0.012 176.218 176.300 -0.116 0.000 1.224 344 D CA 0.672 54.591 54.000 -0.134 0.000 0.894 344 D CB 1.104 41.826 40.800 -0.130 0.000 1.127 344 D HN 0.354 nan 8.370 nan 0.000 0.487 345 L N 1.521 122.669 121.223 -0.125 0.000 2.341 345 L HA 0.554 4.893 4.340 -0.002 0.000 0.267 345 L C -0.368 176.375 176.870 -0.212 0.000 1.009 345 L CA -1.265 53.500 54.840 -0.125 0.000 0.819 345 L CB 2.115 44.150 42.059 -0.039 0.000 1.323 345 L HN -0.038 nan 8.230 nan 0.000 0.425 346 V N 2.731 122.399 119.914 -0.411 0.000 2.384 346 V HA 0.318 4.437 4.120 -0.002 0.000 0.287 346 V C -0.299 175.298 176.094 -0.828 0.000 1.020 346 V CA -0.504 61.459 62.300 -0.561 0.000 0.850 346 V CB 1.904 33.230 31.823 -0.829 0.000 0.987 346 V HN 0.426 nan 8.190 nan 0.000 0.436 347 L N 5.107 126.019 121.223 -0.517 0.000 2.281 347 L HA 0.753 5.092 4.340 -0.002 0.000 0.285 347 L C 0.690 177.300 176.870 -0.433 0.000 1.074 347 L CA 0.627 55.206 54.840 -0.435 0.000 0.817 347 L CB 0.727 42.636 42.059 -0.250 0.000 1.168 347 L HN 0.735 nan 8.230 nan 0.000 0.434 348 G N 2.633 111.178 108.800 -0.424 0.000 2.389 348 G HA2 0.624 4.583 3.960 -0.002 0.000 0.328 348 G HA3 0.624 4.583 3.960 -0.002 0.000 0.328 348 G C -0.869 174.034 174.900 0.005 0.000 1.133 348 G CA 0.084 45.134 45.100 -0.083 0.000 0.891 348 G HN 0.748 nan 8.290 nan 0.000 0.485 349 S N -0.184 115.591 115.700 0.125 0.000 2.715 349 S HA 0.542 5.010 4.470 -0.002 0.000 0.284 349 S C -1.696 173.084 174.600 0.300 0.000 1.216 349 S CA -0.657 57.598 58.200 0.092 0.000 0.970 349 S CB 0.731 63.874 63.200 -0.094 0.000 1.273 349 S HN 0.937 nan 8.310 nan 0.000 0.509 350 H N -0.082 119.061 119.070 0.122 0.000 2.981 350 H HA 0.328 4.882 4.556 -0.002 0.000 0.327 350 H C 0.972 176.397 175.328 0.161 0.000 1.342 350 H CA 0.084 56.313 56.048 0.301 0.000 1.123 350 H CB 1.519 31.426 29.762 0.242 0.000 1.851 350 H HN 0.726 nan 8.280 nan 0.000 0.531 351 M N 1.275 120.703 119.600 -0.287 0.000 2.294 351 M HA -0.318 4.161 4.480 -0.002 0.000 0.249 351 M C 0.342 176.582 176.300 -0.099 0.000 1.068 351 M CA 2.822 57.991 55.300 -0.217 0.000 1.063 351 M CB -0.039 32.407 32.600 -0.256 0.000 1.315 351 M HN 0.635 nan 8.290 nan 0.000 0.417 352 L N -4.146 117.106 121.223 0.049 0.000 2.195 352 L HA 0.141 4.480 4.340 -0.002 0.000 0.222 352 L C -0.252 176.681 176.870 0.105 0.000 1.132 352 L CA -0.442 54.415 54.840 0.028 0.000 1.159 352 L CB 0.239 42.305 42.059 0.011 0.000 2.382 352 L HN -0.082 nan 8.230 nan 0.000 0.523 353 E N 2.334 122.700 120.200 0.277 0.000 1.814 353 E HA 0.327 4.675 4.350 -0.002 0.000 0.264 353 E C -0.816 175.966 176.600 0.304 0.000 1.179 353 E CA 0.146 56.684 56.400 0.230 0.000 0.972 353 E CB 0.709 30.536 29.700 0.212 0.000 1.077 353 E HN -0.056 nan 8.360 nan 0.000 0.417 354 V N 2.030 122.055 119.914 0.184 0.000 2.555 354 V HA 0.194 4.313 4.120 -0.002 0.000 0.302 354 V C -0.045 176.233 176.094 0.307 0.000 1.038 354 V CA -1.271 61.147 62.300 0.196 0.000 0.887 354 V CB 1.932 33.776 31.823 0.036 0.000 0.991 354 V HN 0.722 nan 8.190 nan 0.000 0.434 355 C N 7.509 126.975 119.300 0.276 0.000 2.566 355 C HA 0.333 4.792 4.460 -0.002 0.000 0.393 355 C C -0.690 174.382 174.990 0.137 0.000 1.309 355 C CA -1.171 57.971 59.018 0.207 0.000 1.801 355 C CB 0.390 28.221 27.740 0.151 0.000 2.493 355 C HN 0.829 nan 8.230 nan 0.000 0.575 356 P HA -0.091 nan 4.420 nan 0.000 0.229 356 P C 1.584 178.674 177.300 -0.351 0.000 1.150 356 P CA 1.058 63.820 63.100 -0.565 0.000 0.765 356 P CB 0.049 31.576 31.700 -0.288 0.000 0.783 357 S N 0.152 115.786 115.700 -0.109 0.000 2.399 357 S HA -0.132 4.337 4.470 -0.002 0.000 0.231 357 S C 1.522 176.126 174.600 0.007 0.000 1.022 357 S CA 0.954 59.140 58.200 -0.024 0.000 0.983 357 S CB -0.975 62.252 63.200 0.045 0.000 0.803 357 S HN 0.268 nan 8.310 nan 0.000 0.480 358 I N -0.779 119.801 120.570 0.016 0.000 3.812 358 I HA 0.467 4.636 4.170 -0.002 0.000 0.320 358 I C 0.692 176.845 176.117 0.060 0.000 1.276 358 I CA -0.501 60.880 61.300 0.135 0.000 1.164 358 I CB -0.407 37.688 38.000 0.158 0.000 1.009 358 I HN 0.187 nan 8.210 nan 0.000 0.431 359 A N 1.213 123.934 122.820 -0.165 0.000 2.267 359 A HA 0.503 4.822 4.320 -0.002 0.000 0.271 359 A C 1.146 178.706 177.584 -0.041 0.000 1.131 359 A CA 0.018 51.936 52.037 -0.197 0.000 0.818 359 A CB 0.719 19.356 19.000 -0.605 0.000 1.118 359 A HN 0.127 nan 8.150 nan 0.000 0.501 360 V N -0.774 119.140 119.914 0.001 0.000 3.307 360 V HA 0.108 4.227 4.120 -0.002 0.000 0.244 360 V C 1.126 177.221 176.094 0.003 0.000 1.196 360 V CA 1.317 63.626 62.300 0.013 0.000 1.132 360 V CB -0.878 30.969 31.823 0.040 0.000 0.875 360 V HN 0.968 nan 8.190 nan 0.000 0.468 361 E N 1.511 121.715 120.200 0.007 0.000 2.762 361 E HA 0.410 4.759 4.350 -0.002 0.000 0.193 361 E C -0.487 176.123 176.600 0.018 0.000 0.700 361 E CA -0.669 55.744 56.400 0.021 0.000 1.196 361 E CB 0.901 30.630 29.700 0.047 0.000 1.804 361 E HN 0.280 nan 8.360 nan 0.000 0.381 362 E N 0.362 120.587 120.200 0.041 0.000 2.158 362 E HA 0.432 4.780 4.350 -0.002 0.000 0.271 362 E C -1.021 175.656 176.600 0.128 0.000 0.911 362 E CA -0.664 55.777 56.400 0.068 0.000 0.767 362 E CB 1.240 30.969 29.700 0.048 0.000 1.120 362 E HN 0.460 nan 8.360 nan 0.000 0.405 363 K N 4.564 125.092 120.400 0.212 0.000 2.297 363 K HA 0.334 4.653 4.320 -0.002 0.000 0.286 363 K C -2.739 173.960 176.600 0.165 0.000 1.053 363 K CA -1.754 54.657 56.287 0.207 0.000 0.940 363 K CB 0.219 32.837 32.500 0.197 0.000 1.019 363 K HN 0.427 nan 8.250 nan 0.000 0.475 364 P HA 0.075 nan 4.420 nan 0.000 0.266 364 P C -0.306 176.961 177.300 -0.054 0.000 1.195 364 P CA -0.109 63.013 63.100 0.036 0.000 0.768 364 P CB 0.426 32.134 31.700 0.014 0.000 0.838 365 I N 4.215 124.739 120.570 -0.076 0.000 2.382 365 I HA 0.419 4.588 4.170 -0.002 0.000 0.285 365 I C -1.294 174.760 176.117 -0.105 0.000 1.007 365 I CA -0.870 60.322 61.300 -0.180 0.000 1.142 365 I CB 0.614 38.450 38.000 -0.275 0.000 1.289 365 I HN 0.149 nan 8.210 nan 0.000 0.453 366 L N 6.589 127.746 121.223 -0.110 0.000 2.256 366 L HA 0.641 4.979 4.340 -0.002 0.000 0.261 366 L C -0.401 176.420 176.870 -0.081 0.000 1.022 366 L CA 0.176 54.970 54.840 -0.076 0.000 0.828 366 L CB 1.999 44.018 42.059 -0.067 0.000 1.374 366 L HN 0.568 nan 8.230 nan 0.000 0.436 367 D N -0.582 119.784 120.400 -0.057 0.000 3.161 367 D HA 0.128 4.767 4.640 -0.002 0.000 0.287 367 D C 0.419 176.690 176.300 -0.049 0.000 1.343 367 D CA 1.124 55.093 54.000 -0.052 0.000 1.070 367 D CB 0.127 40.908 40.800 -0.032 0.000 1.188 367 D HN 0.179 nan 8.370 nan 0.000 0.409 368 V N 1.317 121.210 119.914 -0.034 0.000 5.114 368 V HA -0.311 3.808 4.120 -0.002 0.000 0.239 368 V C 1.523 177.599 176.094 -0.031 0.000 0.680 368 V CA 1.748 64.031 62.300 -0.029 0.000 0.660 368 V CB -1.815 29.983 31.823 -0.040 0.000 0.454 368 V HN 0.504 nan 8.190 nan 0.000 0.752 369 Q N 0.028 119.819 119.800 -0.016 0.000 2.339 369 Q HA 0.025 4.363 4.340 -0.002 0.000 0.205 369 Q C 1.133 177.118 176.000 -0.025 0.000 0.925 369 Q CA 0.882 56.664 55.803 -0.035 0.000 0.898 369 Q CB -0.174 28.545 28.738 -0.032 0.000 1.013 369 Q HN 1.085 nan 8.270 nan 0.000 0.504 370 H N 0.676 119.712 119.070 -0.057 0.000 3.214 370 H HA 0.056 4.611 4.556 -0.002 0.000 0.198 370 H C -0.551 174.736 175.328 -0.067 0.000 0.692 370 H CA -0.126 55.890 56.048 -0.054 0.000 1.381 370 H CB -1.067 28.666 29.762 -0.048 0.000 1.483 370 H HN 0.346 nan 8.280 nan 0.000 0.479 371 L N 5.621 126.643 121.223 -0.335 0.000 2.259 371 L HA 0.324 4.663 4.340 -0.002 0.000 0.288 371 L C 1.485 178.047 176.870 -0.513 0.000 1.051 371 L CA 0.640 55.244 54.840 -0.394 0.000 0.824 371 L CB 0.836 42.771 42.059 -0.207 0.000 1.206 371 L HN 0.775 nan 8.230 nan 0.000 0.429 372 G N 5.707 114.071 108.800 -0.725 0.000 2.422 372 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.218 372 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.218 372 G C 0.867 175.654 174.900 -0.189 0.000 1.146 372 G CA 0.029 44.893 45.100 -0.393 0.000 0.769 372 G HN 0.553 nan 8.290 nan 0.000 0.547 373 I N 1.305 121.719 120.570 -0.259 0.000 2.668 373 I HA 0.272 4.441 4.170 -0.002 0.000 0.285 373 I C 1.625 177.627 176.117 -0.191 0.000 1.168 373 I CA 1.334 62.446 61.300 -0.314 0.000 1.424 373 I CB 0.702 38.360 38.000 -0.569 0.000 1.377 373 I HN 0.374 nan 8.210 nan 0.000 0.560 374 G N 4.242 113.032 108.800 -0.016 0.000 2.358 374 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.224 374 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.224 374 G C 0.916 175.847 174.900 0.051 0.000 1.073 374 G CA -0.111 45.061 45.100 0.120 0.000 0.635 374 G HN 1.664 nan 8.290 nan 0.000 0.509 375 G N -0.001 108.809 108.800 0.017 0.000 2.303 375 G HA2 0.038 3.997 3.960 -0.002 0.000 0.260 375 G HA3 0.038 3.997 3.960 -0.002 0.000 0.260 375 G C 0.023 174.933 174.900 0.016 0.000 1.106 375 G CA 1.383 46.498 45.100 0.025 0.000 0.900 375 G HN 0.961 nan 8.290 nan 0.000 0.495 376 K N -0.647 119.763 120.400 0.017 0.000 2.263 376 K HA 0.518 4.837 4.320 -0.002 0.000 0.249 376 K C 0.079 176.693 176.600 0.024 0.000 1.076 376 K CA -0.960 55.332 56.287 0.009 0.000 0.884 376 K CB 0.682 33.179 32.500 -0.004 0.000 1.394 376 K HN 0.074 nan 8.250 nan 0.000 0.476 377 D N 1.468 121.875 120.400 0.013 0.000 2.346 377 D HA 0.002 4.641 4.640 -0.002 0.000 0.236 377 D C -0.590 175.721 176.300 0.018 0.000 1.259 377 D CA 0.425 54.434 54.000 0.016 0.000 0.898 377 D CB 0.277 41.079 40.800 0.003 0.000 1.178 377 D HN 0.180 nan 8.370 nan 0.000 0.457 378 D N 1.517 121.930 120.400 0.021 0.000 2.363 378 D HA 0.133 4.771 4.640 -0.002 0.000 0.263 378 D C -2.068 174.223 176.300 -0.015 0.000 1.258 378 D CA -0.797 53.209 54.000 0.010 0.000 0.907 378 D CB 0.129 40.938 40.800 0.014 0.000 1.107 378 D HN 0.065 nan 8.370 nan 0.000 0.495 379 P HA 0.238 nan 4.420 nan 0.000 0.284 379 P C -0.832 176.432 177.300 -0.059 0.000 1.253 379 P CA -0.674 62.401 63.100 -0.042 0.000 0.800 379 P CB 1.061 32.733 31.700 -0.046 0.000 0.961 380 A N 3.776 126.556 122.820 -0.067 0.000 2.407 380 A HA 0.584 4.903 4.320 -0.002 0.000 0.248 380 A C 0.507 178.011 177.584 -0.132 0.000 1.082 380 A CA 0.053 52.029 52.037 -0.101 0.000 0.785 380 A CB 0.073 19.006 19.000 -0.112 0.000 1.020 380 A HN 0.739 nan 8.150 nan 0.000 0.489 381 R N 1.569 121.972 120.500 -0.162 0.000 2.692 381 R HA 0.445 4.784 4.340 -0.002 0.000 0.269 381 R C -2.340 173.833 176.300 -0.211 0.000 1.030 381 R CA -0.751 55.246 56.100 -0.173 0.000 0.882 381 R CB 0.032 30.252 30.300 -0.134 0.000 1.250 381 R HN 0.521 nan 8.270 nan 0.000 0.465 382 L N 2.704 123.811 121.223 -0.195 0.000 2.276 382 L HA 0.521 4.859 4.340 -0.002 0.000 0.286 382 L C 0.138 176.947 176.870 -0.101 0.000 1.061 382 L CA -0.751 54.001 54.840 -0.148 0.000 0.807 382 L CB 0.969 42.985 42.059 -0.072 0.000 1.177 382 L HN 0.438 nan 8.230 nan 0.000 0.429 383 I N 4.288 124.802 120.570 -0.093 0.000 2.412 383 I HA 0.556 4.724 4.170 -0.002 0.000 0.296 383 I C -0.528 175.575 176.117 -0.023 0.000 0.987 383 I CA -0.502 60.681 61.300 -0.195 0.000 1.180 383 I CB 1.321 39.234 38.000 -0.145 0.000 1.340 383 I HN 0.463 nan 8.210 nan 0.000 0.455 384 F N 3.273 123.187 119.950 -0.059 0.000 2.799 384 F HA 0.492 5.017 4.527 -0.002 0.000 0.316 384 F C -1.534 174.245 175.800 -0.035 0.000 1.155 384 F CA -1.255 56.724 58.000 -0.036 0.000 0.916 384 F CB 0.713 39.701 39.000 -0.020 0.000 1.294 384 F HN 0.217 nan 8.300 nan 0.000 0.447 385 N N 0.239 119.105 118.700 0.278 0.000 2.472 385 N HA 0.540 5.279 4.740 -0.002 0.000 0.289 385 N C -0.992 174.690 175.510 0.287 0.000 1.156 385 N CA -0.407 52.748 53.050 0.175 0.000 0.940 385 N CB 1.917 40.463 38.487 0.098 0.000 1.200 385 N HN 0.720 nan 8.380 nan 0.000 0.511 386 T N 1.084 115.756 114.554 0.197 0.000 2.867 386 T HA 0.407 4.756 4.350 -0.002 0.000 0.282 386 T C 0.575 175.402 174.700 0.213 0.000 1.000 386 T CA -0.505 61.722 62.100 0.212 0.000 1.042 386 T CB 1.016 69.954 68.868 0.117 0.000 0.973 386 T HN 0.573 nan 8.240 nan 0.000 0.465 387 Q N 1.495 121.437 119.800 0.236 0.000 2.432 387 Q HA 0.352 4.691 4.340 -0.002 0.000 0.264 387 Q C 0.472 176.562 176.000 0.150 0.000 1.035 387 Q CA -0.001 55.873 55.803 0.118 0.000 0.908 387 Q CB -0.307 28.413 28.738 -0.029 0.000 1.280 387 Q HN 0.735 nan 8.270 nan 0.000 0.455 388 T N 0.879 115.463 114.554 0.051 0.000 2.909 388 T HA 0.715 5.064 4.350 -0.002 0.000 0.289 388 T C 0.501 175.208 174.700 0.010 0.000 1.005 388 T CA 0.809 62.963 62.100 0.091 0.000 1.084 388 T CB 0.745 69.650 68.868 0.062 0.000 0.975 388 T HN 1.663 nan 8.240 nan 0.000 0.509 389 G N 3.360 112.233 108.800 0.122 0.000 2.361 389 G HA2 0.195 4.154 3.960 -0.002 0.000 0.331 389 G HA3 0.195 4.154 3.960 -0.002 0.000 0.331 389 G C -3.392 171.613 174.900 0.175 0.000 1.324 389 G CA -1.288 43.859 45.100 0.079 0.000 0.984 389 G HN 0.542 nan 8.290 nan 0.000 0.586 390 P HA 0.484 nan 4.420 nan 0.000 0.265 390 P C 0.053 177.400 177.300 0.077 0.000 1.193 390 P CA 0.888 64.033 63.100 0.075 0.000 0.765 390 P CB 1.279 33.001 31.700 0.037 0.000 0.823 391 A N 3.072 125.833 122.820 -0.098 0.000 2.564 391 A HA 0.867 5.186 4.320 -0.002 0.000 0.288 391 A C -0.888 176.449 177.584 -0.412 0.000 1.164 391 A CA -0.752 51.058 52.037 -0.379 0.000 0.712 391 A CB 1.149 19.616 19.000 -0.889 0.000 1.303 391 A HN 0.570 nan 8.150 nan 0.000 0.418 392 I N -1.499 118.750 120.570 -0.535 0.000 2.689 392 I HA 0.847 5.016 4.170 -0.002 0.000 0.299 392 I C -0.943 174.867 176.117 -0.512 0.000 1.059 392 I CA -1.239 59.820 61.300 -0.402 0.000 1.055 392 I CB 2.197 40.064 38.000 -0.222 0.000 1.243 392 I HN 0.500 nan 8.210 nan 0.000 0.425 393 V N 2.035 121.735 119.914 -0.358 0.000 2.495 393 V HA 0.962 5.080 4.120 -0.002 0.000 0.298 393 V C 0.087 176.193 176.094 0.020 0.000 1.031 393 V CA -0.529 61.623 62.300 -0.247 0.000 0.871 393 V CB 0.811 32.426 31.823 -0.347 0.000 0.988 393 V HN 1.068 nan 8.190 nan 0.000 0.432 394 A N 3.041 125.888 122.820 0.044 0.000 2.365 394 A HA 0.932 5.251 4.320 -0.002 0.000 0.318 394 A C -0.271 177.401 177.584 0.146 0.000 1.091 394 A CA -0.409 51.687 52.037 0.099 0.000 0.763 394 A CB 1.989 20.969 19.000 -0.033 0.000 1.248 394 A HN 1.419 nan 8.150 nan 0.000 0.442 395 S N 1.265 117.045 115.700 0.133 0.000 2.571 395 S HA 0.604 5.073 4.470 -0.002 0.000 0.284 395 S C -1.556 173.036 174.600 -0.014 0.000 1.128 395 S CA -0.458 57.791 58.200 0.081 0.000 0.970 395 S CB 1.065 64.375 63.200 0.183 0.000 1.039 395 S HN 1.254 nan 8.310 nan 0.000 0.485 396 L N 6.726 127.937 121.223 -0.020 0.000 2.287 396 L HA 0.740 5.079 4.340 -0.002 0.000 0.287 396 L C -0.655 176.225 176.870 0.017 0.000 1.022 396 L CA -0.455 54.383 54.840 -0.003 0.000 0.814 396 L CB 0.834 42.855 42.059 -0.064 0.000 1.217 396 L HN 0.741 nan 8.230 nan 0.000 0.420 397 I N 0.411 121.021 120.570 0.067 0.000 2.797 397 I HA 0.610 4.778 4.170 -0.002 0.000 0.307 397 I C -0.883 175.348 176.117 0.191 0.000 1.033 397 I CA -0.782 60.562 61.300 0.074 0.000 1.071 397 I CB 1.897 39.895 38.000 -0.003 0.000 1.255 397 I HN 0.423 nan 8.210 nan 0.000 0.445 398 D N 4.093 124.562 120.400 0.116 0.000 2.373 398 D HA 0.334 4.973 4.640 -0.002 0.000 0.227 398 D C 0.296 176.548 176.300 -0.078 0.000 1.091 398 D CA -0.271 53.724 54.000 -0.008 0.000 0.840 398 D CB 1.455 42.291 40.800 0.060 0.000 1.060 398 D HN 0.678 nan 8.370 nan 0.000 0.502 399 L N 3.068 124.211 121.223 -0.134 0.000 2.627 399 L HA 0.207 4.546 4.340 -0.002 0.000 0.233 399 L C 1.801 178.607 176.870 -0.107 0.000 1.144 399 L CA 0.505 55.286 54.840 -0.098 0.000 0.892 399 L CB -0.195 41.812 42.059 -0.087 0.000 1.039 399 L HN 0.774 nan 8.230 nan 0.000 0.442 400 G N 1.007 109.722 108.800 -0.143 0.000 2.956 400 G HA2 -0.349 3.609 3.960 -0.002 0.000 0.210 400 G HA3 -0.349 3.609 3.960 -0.002 0.000 0.210 400 G C 0.595 175.412 174.900 -0.139 0.000 1.316 400 G CA 0.362 45.396 45.100 -0.109 0.000 0.819 400 G HN 0.496 nan 8.290 nan 0.000 0.544 401 D N 0.753 121.069 120.400 -0.140 0.000 2.389 401 D HA 0.284 4.922 4.640 -0.002 0.000 0.206 401 D C 1.166 177.366 176.300 -0.167 0.000 1.055 401 D CA 1.012 54.934 54.000 -0.131 0.000 0.856 401 D CB 0.121 40.865 40.800 -0.093 0.000 0.957 401 D HN 1.029 nan 8.370 nan 0.000 0.509 402 R N -2.065 118.294 120.500 -0.234 0.000 2.741 402 R HA 0.468 4.807 4.340 -0.002 0.000 0.274 402 R C -1.611 174.472 176.300 -0.361 0.000 1.029 402 R CA -0.954 54.996 56.100 -0.249 0.000 0.880 402 R CB 0.402 30.651 30.300 -0.085 0.000 1.264 402 R HN -0.131 nan 8.270 nan 0.000 0.465 403 Y N 0.014 120.318 120.300 0.006 0.000 2.419 403 Y HA 0.579 5.128 4.550 -0.002 0.000 0.328 403 Y C 0.255 176.138 175.900 -0.027 0.000 1.162 403 Y CA -0.741 57.385 58.100 0.042 0.000 1.174 403 Y CB 1.692 40.261 38.460 0.183 0.000 1.228 403 Y HN 0.452 nan 8.280 nan 0.000 0.473 404 R N 2.485 123.069 120.500 0.140 0.000 2.628 404 R HA 0.594 4.933 4.340 -0.002 0.000 0.288 404 R C -2.277 174.047 176.300 0.040 0.000 0.980 404 R CA -0.980 55.132 56.100 0.020 0.000 0.891 404 R CB 1.351 31.619 30.300 -0.053 0.000 1.188 404 R HN 0.728 nan 8.270 nan 0.000 0.450 405 L N 5.310 126.555 121.223 0.037 0.000 2.262 405 L HA 0.405 4.744 4.340 -0.002 0.000 0.288 405 L C -1.637 175.220 176.870 -0.022 0.000 1.035 405 L CA -0.507 54.361 54.840 0.047 0.000 0.820 405 L CB 1.209 43.362 42.059 0.157 0.000 1.204 405 L HN 0.556 nan 8.230 nan 0.000 0.424 406 L N 6.359 127.509 121.223 -0.120 0.000 2.275 406 L HA 0.629 4.967 4.340 -0.002 0.000 0.288 406 L C -0.244 176.599 176.870 -0.046 0.000 1.046 406 L CA -0.300 54.416 54.840 -0.208 0.000 0.805 406 L CB 1.536 43.177 42.059 -0.696 0.000 1.193 406 L HN 0.411 nan 8.230 nan 0.000 0.426 407 V N 4.388 124.350 119.914 0.079 0.000 2.483 407 V HA 0.511 4.629 4.120 -0.002 0.000 0.297 407 V C -0.876 175.345 176.094 0.212 0.000 1.027 407 V CA -0.431 61.962 62.300 0.156 0.000 0.855 407 V CB 1.697 33.563 31.823 0.071 0.000 0.995 407 V HN 0.911 nan 8.190 nan 0.000 0.424 408 N N 5.824 124.685 118.700 0.268 0.000 2.424 408 N HA 0.379 5.117 4.740 -0.002 0.000 0.271 408 N C -0.531 174.979 175.510 0.001 0.000 0.985 408 N CA -0.632 52.522 53.050 0.174 0.000 0.921 408 N CB 1.162 39.764 38.487 0.191 0.000 1.149 408 N HN 0.807 nan 8.380 nan 0.000 0.492 409 C N 5.040 124.340 119.300 0.001 0.000 2.585 409 C HA 0.440 4.899 4.460 -0.002 0.000 0.406 409 C C 0.842 175.790 174.990 -0.070 0.000 1.312 409 C CA -0.573 58.414 59.018 -0.052 0.000 1.924 409 C CB -1.677 26.057 27.740 -0.011 0.000 2.578 409 C HN 0.616 nan 8.230 nan 0.000 0.580 410 I N -0.037 120.451 120.570 -0.137 0.000 3.264 410 I HA 0.709 4.878 4.170 -0.002 0.000 0.315 410 I C -1.286 174.813 176.117 -0.029 0.000 1.154 410 I CA -0.584 60.655 61.300 -0.102 0.000 0.962 410 I CB 2.169 39.961 38.000 -0.347 0.000 1.265 410 I HN 0.355 nan 8.210 nan 0.000 0.463 411 D N 2.383 122.840 120.400 0.094 0.000 2.686 411 D HA 0.273 4.912 4.640 -0.002 0.000 0.249 411 D C -0.771 175.681 176.300 0.253 0.000 1.260 411 D CA -0.178 53.905 54.000 0.138 0.000 0.910 411 D CB 2.438 43.305 40.800 0.112 0.000 1.323 411 D HN 0.782 nan 8.370 nan 0.000 0.561 412 T N -1.265 113.473 114.554 0.308 0.000 2.899 412 T HA 0.556 4.905 4.350 -0.002 0.000 0.295 412 T C 0.504 175.357 174.700 0.255 0.000 1.033 412 T CA -0.600 61.732 62.100 0.386 0.000 1.084 412 T CB 1.469 70.656 68.868 0.531 0.000 0.979 412 T HN 0.237 nan 8.240 nan 0.000 0.532 413 V N -1.287 118.754 119.914 0.212 0.000 3.049 413 V HA 0.649 4.768 4.120 -0.002 0.000 0.309 413 V C -0.346 175.808 176.094 0.099 0.000 1.148 413 V CA -1.579 60.799 62.300 0.131 0.000 0.990 413 V CB 1.768 33.653 31.823 0.104 0.000 1.039 413 V HN 1.089 nan 8.190 nan 0.000 0.430 414 K N 2.100 122.542 120.400 0.069 0.000 2.401 414 K HA 0.338 4.656 4.320 -0.002 0.000 0.278 414 K C 0.446 177.061 176.600 0.025 0.000 1.018 414 K CA 0.254 56.569 56.287 0.047 0.000 0.981 414 K CB 0.646 33.166 32.500 0.034 0.000 0.933 414 K HN 1.105 nan 8.250 nan 0.000 0.477 415 T N 2.574 117.135 114.554 0.011 0.000 2.928 415 T HA 0.076 4.425 4.350 -0.002 0.000 0.305 415 T C -1.403 173.293 174.700 -0.007 0.000 1.035 415 T CA -1.282 60.810 62.100 -0.013 0.000 1.145 415 T CB 0.796 69.653 68.868 -0.019 0.000 0.963 415 T HN 0.523 nan 8.240 nan 0.000 0.545 416 P HA 0.018 nan 4.420 nan 0.000 0.231 416 P C 0.226 177.559 177.300 0.054 0.000 1.168 416 P CA 0.859 63.962 63.100 0.006 0.000 0.779 416 P CB 0.199 31.886 31.700 -0.023 0.000 0.844 417 H N -0.203 118.830 119.070 -0.062 0.000 3.046 417 H HA 0.279 4.833 4.556 -0.002 0.000 0.361 417 H C -0.637 174.658 175.328 -0.054 0.000 1.235 417 H CA -0.380 55.636 56.048 -0.053 0.000 1.146 417 H CB 2.192 31.916 29.762 -0.062 0.000 1.859 417 H HN -0.125 nan 8.280 nan 0.000 0.548 418 S N 2.248 117.821 115.700 -0.212 0.000 2.596 418 S HA 0.296 4.765 4.470 -0.002 0.000 0.260 418 S C 0.026 174.713 174.600 0.145 0.000 1.336 418 S CA -0.467 57.706 58.200 -0.045 0.000 0.993 418 S CB 0.302 63.419 63.200 -0.138 0.000 0.923 418 S HN 0.446 nan 8.310 nan 0.000 0.567 419 L N 2.015 123.261 121.223 0.038 0.000 2.488 419 L HA 0.343 4.682 4.340 -0.002 0.000 0.250 419 L C -1.799 175.059 176.870 -0.019 0.000 1.280 419 L CA -1.263 53.581 54.840 0.007 0.000 0.929 419 L CB 1.489 43.523 42.059 -0.042 0.000 1.200 419 L HN 0.607 nan 8.230 nan 0.000 0.495 420 P HA -0.038 nan 4.420 nan 0.000 0.227 420 P C 1.184 178.464 177.300 -0.035 0.000 1.161 420 P CA 0.744 63.835 63.100 -0.014 0.000 0.788 420 P CB 0.283 31.986 31.700 0.007 0.000 0.822 421 K N -0.464 119.909 120.400 -0.044 0.000 2.358 421 K HA 0.215 4.534 4.320 -0.002 0.000 0.197 421 K C 0.598 177.148 176.600 -0.083 0.000 1.025 421 K CA -0.038 56.214 56.287 -0.057 0.000 1.104 421 K CB -0.689 31.779 32.500 -0.053 0.000 0.855 421 K HN 0.079 nan 8.250 nan 0.000 0.531 422 L N 2.022 123.186 121.223 -0.098 0.000 2.259 422 L HA 0.361 4.699 4.340 -0.002 0.000 0.288 422 L C -1.912 174.869 176.870 -0.148 0.000 1.051 422 L CA -2.189 52.568 54.840 -0.138 0.000 0.824 422 L CB 1.842 43.808 42.059 -0.155 0.000 1.206 422 L HN -0.017 nan 8.230 nan 0.000 0.429 423 P HA 0.055 nan 4.420 nan 0.000 0.255 423 P C -0.480 176.713 177.300 -0.179 0.000 1.301 423 P CA 0.334 63.347 63.100 -0.144 0.000 0.817 423 P CB 0.261 31.885 31.700 -0.127 0.000 1.259 424 V N -0.529 119.253 119.914 -0.221 0.000 3.001 424 V HA 0.681 4.800 4.120 -0.002 0.000 0.314 424 V C 0.523 176.421 176.094 -0.327 0.000 1.099 424 V CA -1.431 60.711 62.300 -0.264 0.000 0.989 424 V CB 1.510 33.169 31.823 -0.273 0.000 1.040 424 V HN 0.055 nan 8.190 nan 0.000 0.434 425 A N 2.276 124.815 122.820 -0.469 0.000 2.366 425 A HA 0.617 4.936 4.320 -0.002 0.000 0.250 425 A C 0.035 177.341 177.584 -0.462 0.000 1.099 425 A CA 0.279 51.896 52.037 -0.701 0.000 0.794 425 A CB -0.128 17.894 19.000 -1.630 0.000 1.056 425 A HN 1.295 nan 8.150 nan 0.000 0.499 426 N N -1.598 116.873 118.700 -0.382 0.000 2.331 426 N HA 0.642 5.381 4.740 -0.002 0.000 0.280 426 N C -1.029 174.408 175.510 -0.123 0.000 1.155 426 N CA -0.099 52.821 53.050 -0.216 0.000 0.822 426 N CB 1.936 40.316 38.487 -0.179 0.000 1.619 426 N HN 0.834 nan 8.380 nan 0.000 0.476 427 A N 0.951 123.721 122.820 -0.083 0.000 2.365 427 A HA 0.804 5.122 4.320 -0.002 0.000 0.318 427 A C -1.612 175.979 177.584 0.013 0.000 1.091 427 A CA -0.642 51.401 52.037 0.009 0.000 0.763 427 A CB 1.191 20.172 19.000 -0.031 0.000 1.248 427 A HN 0.692 nan 8.150 nan 0.000 0.442 428 L N 2.526 123.813 121.223 0.107 0.000 2.439 428 L HA 0.850 5.189 4.340 -0.002 0.000 0.270 428 L C -1.409 175.567 176.870 0.176 0.000 0.972 428 L CA -0.036 54.783 54.840 -0.035 0.000 0.836 428 L CB 1.226 43.257 42.059 -0.047 0.000 1.255 428 L HN 0.879 nan 8.230 nan 0.000 0.404 429 W N 3.274 124.611 121.300 0.063 0.000 3.031 429 W HA 0.869 5.528 4.660 -0.002 0.000 0.337 429 W C -1.066 175.477 176.519 0.040 0.000 1.187 429 W CA -0.858 56.532 57.345 0.076 0.000 1.166 429 W CB 0.722 30.249 29.460 0.112 0.000 1.437 429 W HN 0.659 nan 8.180 nan 0.000 0.551 430 K N 1.362 121.946 120.400 0.307 0.000 2.234 430 K HA 0.818 5.137 4.320 -0.002 0.000 0.277 430 K C -0.324 176.445 176.600 0.281 0.000 1.038 430 K CA -0.273 56.130 56.287 0.194 0.000 0.888 430 K CB 0.659 33.231 32.500 0.121 0.000 1.091 430 K HN 1.182 nan 8.250 nan 0.000 0.467 431 A N 1.810 124.781 122.820 0.252 0.000 2.316 431 A HA 0.439 4.757 4.320 -0.002 0.000 0.284 431 A C 1.204 178.843 177.584 0.092 0.000 1.115 431 A CA -0.181 51.980 52.037 0.207 0.000 0.812 431 A CB 0.888 20.001 19.000 0.189 0.000 1.064 431 A HN 0.885 nan 8.150 nan 0.000 0.489 432 Q N 1.611 121.449 119.800 0.062 0.000 1.856 432 Q HA -0.089 4.250 4.340 -0.002 0.000 0.233 432 Q C -0.870 175.149 176.000 0.031 0.000 0.995 432 Q CA 2.967 58.796 55.803 0.043 0.000 0.877 432 Q CB -0.989 27.771 28.738 0.035 0.000 0.937 432 Q HN 0.607 nan 8.270 nan 0.000 0.423 433 P HA -0.064 nan 4.420 nan 0.000 0.213 433 P C -0.839 176.467 177.300 0.010 0.000 1.170 433 P CA 2.091 65.197 63.100 0.011 0.000 0.902 433 P CB -0.068 31.628 31.700 -0.006 0.000 0.789 434 D N -5.513 114.888 120.400 0.001 0.000 2.742 434 D HA 0.126 4.764 4.640 -0.002 0.000 0.262 434 D C 0.346 176.631 176.300 -0.025 0.000 1.240 434 D CA -0.793 53.204 54.000 -0.006 0.000 0.752 434 D CB -0.014 40.781 40.800 -0.008 0.000 1.290 434 D HN -0.175 nan 8.370 nan 0.000 0.420 435 L N 0.495 121.687 121.223 -0.052 0.000 1.989 435 L HA 0.110 4.448 4.340 -0.002 0.000 0.211 435 L C -1.073 175.738 176.870 -0.098 0.000 1.071 435 L CA 2.060 56.831 54.840 -0.116 0.000 0.749 435 L CB -1.385 40.538 42.059 -0.227 0.000 0.890 435 L HN 0.478 nan 8.230 nan 0.000 0.431 436 P HA -0.126 nan 4.420 nan 0.000 0.214 436 P C 1.644 178.920 177.300 -0.039 0.000 1.163 436 P CA 2.151 65.230 63.100 -0.035 0.000 0.883 436 P CB -0.208 31.482 31.700 -0.016 0.000 0.788 437 T N -0.679 113.849 114.554 -0.043 0.000 2.746 437 T HA -0.109 4.240 4.350 -0.002 0.000 0.267 437 T C 1.883 176.536 174.700 -0.078 0.000 1.039 437 T CA 1.570 63.631 62.100 -0.065 0.000 1.142 437 T CB -0.966 67.864 68.868 -0.064 0.000 0.866 437 T HN 0.041 nan 8.240 nan 0.000 0.444 438 A N 1.997 124.790 122.820 -0.045 0.000 1.883 438 A HA -0.140 4.179 4.320 -0.002 0.000 0.217 438 A C 2.618 180.225 177.584 0.039 0.000 1.186 438 A CA 2.378 54.410 52.037 -0.009 0.000 0.624 438 A CB -0.999 18.008 19.000 0.011 0.000 0.822 438 A HN 0.614 nan 8.150 nan 0.000 0.444 439 S N -0.197 115.508 115.700 0.008 0.000 2.371 439 S HA -0.165 4.304 4.470 -0.002 0.000 0.224 439 S C 1.709 176.377 174.600 0.113 0.000 1.029 439 S CA 1.374 59.607 58.200 0.055 0.000 0.978 439 S CB -0.531 62.659 63.200 -0.018 0.000 0.833 439 S HN 0.647 nan 8.310 nan 0.000 0.466 440 E N 1.812 122.037 120.200 0.042 0.000 2.110 440 E HA -0.018 4.331 4.350 -0.002 0.000 0.193 440 E C 2.404 179.020 176.600 0.026 0.000 0.988 440 E CA 1.055 57.477 56.400 0.037 0.000 0.804 440 E CB -0.422 29.276 29.700 -0.004 0.000 0.745 440 E HN 0.718 nan 8.360 nan 0.000 0.458 441 A N 1.318 124.089 122.820 -0.082 0.000 1.930 441 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 441 A C 1.902 179.522 177.584 0.061 0.000 1.175 441 A CA 0.868 52.728 52.037 -0.295 0.000 0.627 441 A CB -0.854 17.646 19.000 -0.833 0.000 0.815 441 A HN 0.522 nan 8.150 nan 0.000 0.443 442 W N 0.534 121.818 121.300 -0.027 0.000 2.358 442 W HA -0.149 4.510 4.660 -0.002 0.000 0.303 442 W C 1.755 178.327 176.519 0.088 0.000 1.208 442 W CA 1.717 59.103 57.345 0.069 0.000 1.274 442 W CB -0.262 29.236 29.460 0.064 0.000 1.138 442 W HN 0.336 nan 8.180 nan 0.000 0.515 443 I N 0.362 121.131 120.570 0.331 0.000 2.163 443 I HA -0.348 3.820 4.170 -0.002 0.000 0.240 443 I C 2.636 178.829 176.117 0.126 0.000 1.081 443 I CA 1.066 62.499 61.300 0.221 0.000 1.353 443 I CB -0.882 37.229 38.000 0.186 0.000 1.054 443 I HN -0.155 nan 8.210 nan 0.000 0.407 444 L N 0.722 122.023 121.223 0.129 0.000 1.978 444 L HA -0.256 4.083 4.340 -0.002 0.000 0.218 444 L C 2.117 179.051 176.870 0.108 0.000 1.075 444 L CA 1.581 56.495 54.840 0.124 0.000 0.767 444 L CB -0.696 41.471 42.059 0.179 0.000 0.890 444 L HN 0.263 nan 8.230 nan 0.000 0.434 445 A N 0.023 122.934 122.820 0.150 0.000 2.426 445 A HA 0.404 4.723 4.320 -0.002 0.000 0.247 445 A C 1.170 178.712 177.584 -0.070 0.000 1.389 445 A CA 0.602 52.674 52.037 0.058 0.000 1.129 445 A CB -1.417 17.676 19.000 0.155 0.000 0.928 445 A HN 0.609 nan 8.150 nan 0.000 0.557 446 G N -0.723 108.051 108.800 -0.044 0.000 2.562 446 G HA2 0.334 4.293 3.960 -0.002 0.000 0.250 446 G HA3 0.334 4.293 3.960 -0.002 0.000 0.250 446 G C 1.012 175.838 174.900 -0.123 0.000 1.269 446 G CA 0.103 45.164 45.100 -0.066 0.000 0.919 446 G HN 2.611 nan 8.290 nan 0.000 0.574 447 G N -1.723 107.007 108.800 -0.117 0.000 2.797 447 G HA2 0.476 4.434 3.960 -0.002 0.000 0.686 447 G HA3 0.476 4.434 3.960 -0.002 0.000 0.686 447 G C 0.242 175.190 174.900 0.081 0.000 1.452 447 G CA 0.864 45.853 45.100 -0.185 0.000 0.986 447 G HN 2.644 nan 8.290 nan 0.000 0.595 448 A N 1.621 124.630 122.820 0.315 0.000 2.309 448 A HA 0.873 5.191 4.320 -0.002 0.000 0.317 448 A C 1.296 179.222 177.584 0.570 0.000 1.134 448 A CA 0.597 52.900 52.037 0.444 0.000 0.866 448 A CB 0.666 19.852 19.000 0.310 0.000 1.329 448 A HN 1.980 nan 8.150 nan 0.000 0.477 449 H N -0.155 119.009 119.070 0.157 0.000 2.457 449 H HA -0.034 4.521 4.556 -0.002 0.000 0.294 449 H C 0.165 175.577 175.328 0.140 0.000 1.064 449 H CA 1.543 57.636 56.048 0.075 0.000 1.330 449 H CB -0.884 28.857 29.762 -0.035 0.000 1.395 449 H HN 0.704 nan 8.280 nan 0.000 0.541 450 H N 1.072 119.934 119.070 -0.346 0.000 2.580 450 H HA 0.384 4.938 4.556 -0.002 0.000 0.322 450 H C 0.473 175.768 175.328 -0.054 0.000 1.082 450 H CA 0.107 55.993 56.048 -0.270 0.000 1.383 450 H CB 1.072 30.718 29.762 -0.193 0.000 1.450 450 H HN 0.467 nan 8.280 nan 0.000 0.505 451 T N -0.335 114.214 114.554 -0.008 0.000 2.838 451 T HA 0.469 4.818 4.350 -0.002 0.000 0.292 451 T C -0.776 173.910 174.700 -0.024 0.000 1.113 451 T CA -0.927 61.197 62.100 0.039 0.000 1.008 451 T CB 1.242 70.130 68.868 0.033 0.000 1.259 451 T HN 0.241 nan 8.240 nan 0.000 0.520 452 V N 2.038 121.952 119.914 0.000 0.000 2.398 452 V HA 0.579 4.697 4.120 -0.002 0.000 0.286 452 V C -0.687 175.391 176.094 -0.026 0.000 1.026 452 V CA -0.818 61.479 62.300 -0.005 0.000 0.868 452 V CB 0.858 32.659 31.823 -0.035 0.000 0.982 452 V HN 0.846 nan 8.190 nan 0.000 0.443 453 F N 4.342 124.185 119.950 -0.178 0.000 2.404 453 F HA 0.724 5.250 4.527 -0.002 0.000 0.339 453 F C 0.217 175.892 175.800 -0.208 0.000 1.105 453 F CA 0.135 57.979 58.000 -0.260 0.000 1.087 453 F CB 1.620 40.449 39.000 -0.286 0.000 1.143 453 F HN 0.455 nan 8.300 nan 0.000 0.491 454 S N 4.050 119.354 115.700 -0.660 0.000 2.572 454 S HA 0.298 4.767 4.470 -0.002 0.000 0.274 454 S C -0.149 174.121 174.600 -0.551 0.000 1.150 454 S CA -0.508 57.457 58.200 -0.391 0.000 0.944 454 S CB 0.673 63.760 63.200 -0.188 0.000 1.071 454 S HN 0.887 nan 8.310 nan 0.000 0.479 455 H N 2.484 121.438 119.070 -0.193 0.000 2.525 455 H HA 0.238 4.793 4.556 -0.002 0.000 0.275 455 H C 2.017 177.306 175.328 -0.066 0.000 0.984 455 H CA 1.021 57.001 56.048 -0.113 0.000 1.264 455 H CB 0.421 30.209 29.762 0.044 0.000 1.432 455 H HN 0.643 nan 8.280 nan 0.000 0.549 456 A N 0.625 123.486 122.820 0.067 0.000 1.903 456 A HA 0.106 4.425 4.320 -0.002 0.000 0.213 456 A C 0.822 178.413 177.584 0.011 0.000 1.185 456 A CA 0.496 52.561 52.037 0.047 0.000 0.628 456 A CB -0.047 18.982 19.000 0.048 0.000 0.830 456 A HN 0.149 nan 8.150 nan 0.000 0.446 457 L N 0.098 121.304 121.223 -0.029 0.000 2.358 457 L HA 0.446 4.785 4.340 -0.002 0.000 0.268 457 L C -0.248 176.588 176.870 -0.057 0.000 1.032 457 L CA -0.962 53.856 54.840 -0.037 0.000 0.805 457 L CB 1.320 43.341 42.059 -0.062 0.000 1.253 457 L HN 0.558 nan 8.230 nan 0.000 0.452 458 N N -0.202 118.479 118.700 -0.032 0.000 2.831 458 N HA 0.266 5.004 4.740 -0.002 0.000 0.276 458 N C 0.056 175.563 175.510 -0.005 0.000 1.416 458 N CA -0.912 52.122 53.050 -0.027 0.000 0.799 458 N CB 0.574 39.059 38.487 -0.004 0.000 1.554 458 N HN 0.415 nan 8.380 nan 0.000 0.541 459 L N 0.375 121.602 121.223 0.007 0.000 2.042 459 L HA -0.020 4.319 4.340 -0.002 0.000 0.210 459 L C 1.692 178.596 176.870 0.057 0.000 1.076 459 L CA 1.978 56.837 54.840 0.033 0.000 0.749 459 L CB -1.339 40.743 42.059 0.039 0.000 0.893 459 L HN 0.834 nan 8.230 nan 0.000 0.432 460 N N -0.456 118.278 118.700 0.056 0.000 2.104 460 N HA -0.225 4.514 4.740 -0.002 0.000 0.190 460 N C 1.538 177.101 175.510 0.089 0.000 1.024 460 N CA 1.819 54.913 53.050 0.073 0.000 0.853 460 N CB -0.172 38.353 38.487 0.064 0.000 1.008 460 N HN 0.455 nan 8.380 nan 0.000 0.424 461 D N -0.423 120.020 120.400 0.071 0.000 2.097 461 D HA -0.130 4.509 4.640 -0.002 0.000 0.197 461 D C 1.792 178.164 176.300 0.121 0.000 0.984 461 D CA 0.941 54.990 54.000 0.082 0.000 0.826 461 D CB -0.138 40.686 40.800 0.041 0.000 0.973 461 D HN 0.358 nan 8.370 nan 0.000 0.460 462 M N 0.458 120.114 119.600 0.093 0.000 2.229 462 M HA -0.030 4.448 4.480 -0.002 0.000 0.264 462 M C 2.110 178.544 176.300 0.224 0.000 1.063 462 M CA 0.883 56.267 55.300 0.139 0.000 1.114 462 M CB -0.755 31.883 32.600 0.063 0.000 1.387 462 M HN -0.014 nan 8.290 nan 0.000 0.420 463 R N -0.070 120.529 120.500 0.165 0.000 2.081 463 R HA -0.140 4.198 4.340 -0.002 0.000 0.235 463 R C 2.243 178.654 176.300 0.186 0.000 1.131 463 R CA 1.242 57.440 56.100 0.163 0.000 0.960 463 R CB -0.194 30.183 30.300 0.128 0.000 0.856 463 R HN 0.554 nan 8.270 nan 0.000 0.436 464 Q N -0.529 119.387 119.800 0.194 0.000 2.083 464 Q HA -0.152 4.187 4.340 -0.002 0.000 0.198 464 Q C 1.899 178.028 176.000 0.215 0.000 0.969 464 Q CA 1.210 57.131 55.803 0.196 0.000 0.838 464 Q CB -0.145 28.706 28.738 0.189 0.000 0.900 464 Q HN 0.261 nan 8.270 nan 0.000 0.436 465 F N 1.474 121.492 119.950 0.114 0.000 2.095 465 F HA -0.261 4.265 4.527 -0.002 0.000 0.298 465 F C 2.145 178.087 175.800 0.238 0.000 1.104 465 F CA 1.570 59.669 58.000 0.165 0.000 1.232 465 F CB -0.358 38.726 39.000 0.140 0.000 0.987 465 F HN 0.002 nan 8.300 nan 0.000 0.475 466 A N -0.002 122.940 122.820 0.204 0.000 1.877 466 A HA -0.197 4.122 4.320 -0.002 0.000 0.216 466 A C 2.147 179.779 177.584 0.080 0.000 1.186 466 A CA 1.858 53.959 52.037 0.107 0.000 0.620 466 A CB -0.943 18.163 19.000 0.177 0.000 0.822 466 A HN 0.569 nan 8.150 nan 0.000 0.443 467 E N -1.352 118.915 120.200 0.113 0.000 2.051 467 E HA -0.230 4.119 4.350 -0.002 0.000 0.192 467 E C 1.971 178.606 176.600 0.058 0.000 0.991 467 E CA 1.528 57.997 56.400 0.115 0.000 0.799 467 E CB -0.245 29.536 29.700 0.135 0.000 0.748 467 E HN 0.586 nan 8.360 nan 0.000 0.449 468 M N -0.041 119.557 119.600 -0.004 0.000 2.202 468 M HA -0.154 4.324 4.480 -0.002 0.000 0.262 468 M C 1.053 177.173 176.300 -0.300 0.000 1.063 468 M CA 1.885 57.104 55.300 -0.136 0.000 1.097 468 M CB -0.035 32.438 32.600 -0.211 0.000 1.382 468 M HN 0.069 nan 8.290 nan 0.000 0.413 469 H N -1.321 117.651 119.070 -0.164 0.000 2.652 469 H HA 0.187 4.741 4.556 -0.002 0.000 0.274 469 H C -0.239 175.023 175.328 -0.111 0.000 1.021 469 H CA 0.356 56.291 56.048 -0.189 0.000 1.187 469 H CB 0.208 29.798 29.762 -0.286 0.000 1.505 469 H HN 0.320 nan 8.280 nan 0.000 0.530 470 D N 1.210 121.652 120.400 0.071 0.000 2.803 470 D HA -0.174 4.465 4.640 -0.002 0.000 0.233 470 D C -0.542 175.850 176.300 0.152 0.000 1.182 470 D CA 0.775 54.868 54.000 0.155 0.000 0.726 470 D CB -1.201 39.684 40.800 0.141 0.000 0.987 470 D HN 0.643 nan 8.370 nan 0.000 0.412 471 I N -2.845 117.772 120.570 0.079 0.000 2.892 471 I HA 0.531 4.700 4.170 -0.002 0.000 0.306 471 I C 0.221 176.181 176.117 -0.262 0.000 1.078 471 I CA -1.332 59.916 61.300 -0.086 0.000 1.032 471 I CB 1.806 39.834 38.000 0.047 0.000 1.229 471 I HN -0.018 nan 8.210 nan 0.000 0.435 472 E N 3.044 122.878 120.200 -0.611 0.000 2.351 472 E HA 0.201 4.550 4.350 -0.002 0.000 0.266 472 E C -1.037 175.495 176.600 -0.114 0.000 1.031 472 E CA -0.408 55.705 56.400 -0.478 0.000 0.911 472 E CB 1.107 30.506 29.700 -0.501 0.000 0.986 472 E HN 0.597 nan 8.360 nan 0.000 0.446 473 I N 4.396 124.966 120.570 0.000 0.000 2.325 473 I HA 0.126 4.294 4.170 -0.002 0.000 0.291 473 I C -0.688 175.445 176.117 0.027 0.000 1.019 473 I CA 0.048 61.378 61.300 0.051 0.000 1.302 473 I CB 1.235 39.296 38.000 0.103 0.000 1.401 473 I HN 0.361 nan 8.210 nan 0.000 0.485 474 T N 7.019 121.578 114.554 0.009 0.000 2.756 474 T HA 0.414 4.763 4.350 -0.002 0.000 0.290 474 T C -0.444 174.323 174.700 0.110 0.000 0.985 474 T CA -0.368 61.741 62.100 0.015 0.000 0.955 474 T CB 0.968 69.814 68.868 -0.037 0.000 0.930 474 T HN 0.285 nan 8.240 nan 0.000 0.451 475 V N 5.750 125.767 119.914 0.172 0.000 2.394 475 V HA 0.503 4.622 4.120 -0.002 0.000 0.282 475 V C -0.093 176.167 176.094 0.276 0.000 1.031 475 V CA -0.725 61.690 62.300 0.192 0.000 0.881 475 V CB 1.215 33.127 31.823 0.148 0.000 0.982 475 V HN 0.783 nan 8.190 nan 0.000 0.451 476 I N 6.099 126.798 120.570 0.216 0.000 2.410 476 I HA 0.591 4.760 4.170 -0.002 0.000 0.286 476 I C -0.621 175.559 176.117 0.105 0.000 1.009 476 I CA -0.147 61.245 61.300 0.154 0.000 1.111 476 I CB 1.636 39.732 38.000 0.160 0.000 1.262 476 I HN 0.836 nan 8.210 nan 0.000 0.443 477 D N 2.912 123.358 120.400 0.076 0.000 2.970 477 D HA 0.086 4.724 4.640 -0.002 0.000 0.344 477 D C -0.100 176.227 176.300 0.045 0.000 1.365 477 D CA -0.678 53.357 54.000 0.057 0.000 0.910 477 D CB 0.328 41.165 40.800 0.061 0.000 1.445 477 D HN 0.304 nan 8.370 nan 0.000 0.532 478 N N -0.870 117.855 118.700 0.041 0.000 2.289 478 N HA -0.101 4.637 4.740 -0.002 0.000 0.184 478 N C 0.148 175.681 175.510 0.038 0.000 1.016 478 N CA 0.974 54.045 53.050 0.035 0.000 0.872 478 N CB 0.028 38.536 38.487 0.034 0.000 0.973 478 N HN 0.308 nan 8.380 nan 0.000 0.433 479 D N -0.065 120.365 120.400 0.049 0.000 2.340 479 D HA 0.004 4.642 4.640 -0.002 0.000 0.220 479 D C -0.051 176.288 176.300 0.066 0.000 1.039 479 D CA 0.460 54.493 54.000 0.055 0.000 0.866 479 D CB 0.066 40.903 40.800 0.061 0.000 0.913 479 D HN 0.069 nan 8.370 nan 0.000 0.523 480 T N 1.726 116.317 114.554 0.061 0.000 2.817 480 T HA 0.241 4.590 4.350 -0.002 0.000 0.295 480 T C 0.482 175.200 174.700 0.030 0.000 0.958 480 T CA 0.015 62.151 62.100 0.061 0.000 1.157 480 T CB 0.809 69.680 68.868 0.006 0.000 0.898 480 T HN -0.123 nan 8.240 nan 0.000 0.536 481 R N 2.371 122.906 120.500 0.058 0.000 2.599 481 R HA 0.458 4.797 4.340 -0.002 0.000 0.295 481 R C 1.074 177.414 176.300 0.067 0.000 0.963 481 R CA -0.714 55.410 56.100 0.040 0.000 0.883 481 R CB 1.035 31.365 30.300 0.050 0.000 1.171 481 R HN 0.499 nan 8.270 nan 0.000 0.450 482 L N 3.338 124.578 121.223 0.029 0.000 2.083 482 L HA -0.063 4.276 4.340 -0.002 0.000 0.209 482 L C -0.792 176.143 176.870 0.108 0.000 1.083 482 L CA 1.114 55.994 54.840 0.067 0.000 0.752 482 L CB -0.851 41.214 42.059 0.011 0.000 0.899 482 L HN 0.527 nan 8.230 nan 0.000 0.433 483 P HA -0.198 nan 4.420 nan 0.000 0.214 483 P C 1.529 178.833 177.300 0.007 0.000 1.163 483 P CA 2.033 65.150 63.100 0.029 0.000 0.883 483 P CB -0.037 31.678 31.700 0.025 0.000 0.788 484 A N -0.665 122.178 122.820 0.038 0.000 1.917 484 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 484 A C 2.234 179.822 177.584 0.007 0.000 1.182 484 A CA 1.795 53.845 52.037 0.023 0.000 0.633 484 A CB -1.940 17.109 19.000 0.082 0.000 0.819 484 A HN 0.147 nan 8.150 nan 0.000 0.448 485 F N 0.667 120.583 119.950 -0.057 0.000 2.095 485 F HA -0.204 4.322 4.527 -0.002 0.000 0.298 485 F C 2.246 177.985 175.800 -0.102 0.000 1.104 485 F CA 2.336 60.305 58.000 -0.051 0.000 1.232 485 F CB -0.176 38.813 39.000 -0.018 0.000 0.987 485 F HN 0.145 nan 8.300 nan 0.000 0.475 486 K N -0.034 120.397 120.400 0.052 0.000 2.026 486 K HA -0.203 4.115 4.320 -0.002 0.000 0.208 486 K C 1.691 178.098 176.600 -0.323 0.000 1.048 486 K CA 1.938 58.169 56.287 -0.093 0.000 0.929 486 K CB -0.463 32.023 32.500 -0.023 0.000 0.713 486 K HN 0.248 nan 8.250 nan 0.000 0.439 487 D N 0.622 120.747 120.400 -0.458 0.000 2.123 487 D HA -0.170 4.468 4.640 -0.002 0.000 0.196 487 D C 1.786 177.425 176.300 -1.102 0.000 0.992 487 D CA 1.488 54.882 54.000 -1.010 0.000 0.833 487 D CB -0.202 39.810 40.800 -1.314 0.000 0.954 487 D HN 0.253 nan 8.370 nan 0.000 0.455 488 A N 0.295 122.768 122.820 -0.577 0.000 1.902 488 A HA -0.138 4.180 4.320 -0.002 0.000 0.217 488 A C 2.253 179.708 177.584 -0.215 0.000 1.181 488 A CA 0.945 52.833 52.037 -0.249 0.000 0.623 488 A CB -0.781 18.114 19.000 -0.175 0.000 0.818 488 A HN 0.212 nan 8.150 nan 0.000 0.443 489 L N -0.969 120.051 121.223 -0.338 0.000 1.989 489 L HA -0.251 4.088 4.340 -0.002 0.000 0.211 489 L C 2.953 179.751 176.870 -0.120 0.000 1.071 489 L CA 1.824 56.523 54.840 -0.236 0.000 0.749 489 L CB -0.545 41.353 42.059 -0.268 0.000 0.890 489 L HN 0.390 nan 8.230 nan 0.000 0.431 490 R N -0.913 119.468 120.500 -0.198 0.000 2.083 490 R HA -0.200 4.138 4.340 -0.002 0.000 0.237 490 R C 2.145 178.498 176.300 0.087 0.000 1.137 490 R CA 1.778 57.813 56.100 -0.108 0.000 0.951 490 R CB -0.437 29.724 30.300 -0.232 0.000 0.851 490 R HN 0.406 nan 8.270 nan 0.000 0.434 491 W N 1.234 122.554 121.300 0.033 0.000 2.388 491 W HA -0.021 4.638 4.660 -0.002 0.000 0.294 491 W C 1.715 178.290 176.519 0.094 0.000 1.212 491 W CA 0.164 57.538 57.345 0.048 0.000 1.271 491 W CB -1.010 28.461 29.460 0.018 0.000 1.126 491 W HN 0.138 nan 8.180 nan 0.000 0.535 492 N N 0.604 119.492 118.700 0.313 0.000 2.244 492 N HA -0.166 4.572 4.740 -0.002 0.000 0.183 492 N C 1.581 177.321 175.510 0.383 0.000 1.016 492 N CA 1.613 54.886 53.050 0.372 0.000 0.866 492 N CB -0.505 38.196 38.487 0.356 0.000 0.980 492 N HN 0.232 nan 8.380 nan 0.000 0.430 493 E N 0.727 121.071 120.200 0.240 0.000 2.072 493 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 493 E C 1.810 178.525 176.600 0.192 0.000 0.985 493 E CA 1.056 57.566 56.400 0.183 0.000 0.801 493 E CB 0.015 29.773 29.700 0.097 0.000 0.750 493 E HN 0.197 nan 8.360 nan 0.000 0.452 494 V N -0.444 119.600 119.914 0.216 0.000 2.358 494 V HA -0.191 3.927 4.120 -0.002 0.000 0.246 494 V C 2.317 178.582 176.094 0.285 0.000 1.047 494 V CA 1.870 64.315 62.300 0.242 0.000 1.035 494 V CB -1.293 30.675 31.823 0.243 0.000 0.658 494 V HN 0.335 nan 8.190 nan 0.000 0.452 495 Y N 1.270 121.643 120.300 0.120 0.000 2.089 495 Y HA -0.241 4.308 4.550 -0.002 0.000 0.282 495 Y C 2.435 178.315 175.900 -0.033 0.000 1.139 495 Y CA 1.943 60.023 58.100 -0.033 0.000 1.123 495 Y CB -0.701 37.623 38.460 -0.227 0.000 0.980 495 Y HN 0.244 nan 8.280 nan 0.000 0.493 496 Y N 0.062 120.393 120.300 0.052 0.000 2.571 496 Y HA 0.103 4.651 4.550 -0.002 0.000 0.294 496 Y C 2.103 177.973 175.900 -0.050 0.000 1.141 496 Y CA 0.701 58.769 58.100 -0.054 0.000 1.308 496 Y CB -0.640 37.873 38.460 0.088 0.000 1.002 496 Y HN 0.226 nan 8.280 nan 0.000 0.551 497 G N -0.606 108.256 108.800 0.105 0.000 3.455 497 G HA2 0.340 4.299 3.960 -0.002 0.000 0.250 497 G HA3 0.340 4.299 3.960 -0.002 0.000 0.250 497 G C -0.613 174.182 174.900 -0.174 0.000 1.071 497 G CA 0.255 45.339 45.100 -0.027 0.000 1.812 497 G HN 0.195 nan 8.290 nan 0.000 0.643 498 F N 0.000 119.871 119.950 -0.132 0.000 2.286 498 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 498 F CA 0.000 57.906 58.000 -0.156 0.000 1.383 498 F CB 0.000 38.872 39.000 -0.213 0.000 1.145 498 F HN 0.000 nan 8.300 nan 0.000 0.574