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 2hxg_1_C 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 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.619 32.600 0.032 0.000 1.302 2 T N 4.097 118.703 114.554 0.086 0.000 2.906 2 T HA 0.214 4.565 4.350 0.001 0.000 0.320 2 T C 1.087 175.888 174.700 0.169 0.000 1.088 2 T CA 0.102 62.291 62.100 0.149 0.000 1.120 2 T CB 0.462 69.446 68.868 0.194 0.000 1.000 2 T HN 0.505 nan 8.240 nan 0.000 0.550 3 I N -1.953 118.734 120.570 0.195 0.000 3.749 3 I HA 0.254 4.424 4.170 0.001 0.000 0.314 3 I C 0.901 177.121 176.117 0.173 0.000 1.278 3 I CA 0.393 61.771 61.300 0.130 0.000 1.158 3 I CB -0.522 37.523 38.000 0.074 0.000 1.018 3 I HN 0.367 nan 8.210 nan 0.000 0.435 4 F N 1.699 121.722 119.950 0.122 0.000 2.335 4 F HA 0.018 4.545 4.527 0.000 0.000 0.296 4 F C 1.841 177.726 175.800 0.142 0.000 1.091 4 F CA 1.045 59.135 58.000 0.151 0.000 1.399 4 F CB -0.100 38.949 39.000 0.082 0.000 1.067 4 F HN 0.150 nan 8.300 nan 0.000 0.520 5 D N -0.606 119.948 120.400 0.258 0.000 2.347 5 D HA -0.085 4.555 4.640 0.001 0.000 0.215 5 D C 1.308 177.654 176.300 0.076 0.000 0.976 5 D CA 0.603 54.694 54.000 0.152 0.000 0.884 5 D CB -0.543 40.322 40.800 0.108 0.000 0.915 5 D HN 0.352 nan 8.370 nan 0.000 0.526 6 N N -0.339 118.372 118.700 0.019 0.000 2.521 6 N HA -0.056 4.684 4.740 0.001 0.000 0.188 6 N C -0.393 174.934 175.510 -0.306 0.000 1.146 6 N CA 0.347 53.302 53.050 -0.159 0.000 0.893 6 N CB 0.435 38.763 38.487 -0.265 0.000 0.975 6 N HN 0.201 nan 8.380 nan 0.000 0.451 7 Y N 0.421 120.729 120.300 0.013 0.000 2.602 7 Y HA 0.395 4.945 4.550 0.001 0.000 0.342 7 Y C -0.225 175.717 175.900 0.071 0.000 1.029 7 Y CA -0.849 57.257 58.100 0.009 0.000 1.080 7 Y CB 1.686 40.107 38.460 -0.066 0.000 1.284 7 Y HN -0.204 nan 8.280 nan 0.000 0.485 8 E N 0.439 120.823 120.200 0.307 0.000 2.331 8 E HA 0.617 4.967 4.350 0.001 0.000 0.275 8 E C -1.780 175.010 176.600 0.318 0.000 0.895 8 E CA -0.835 55.742 56.400 0.294 0.000 0.753 8 E CB 2.988 32.888 29.700 0.332 0.000 1.216 8 E HN 0.236 nan 8.360 nan 0.000 0.434 9 V N 2.207 122.332 119.914 0.350 0.000 2.555 9 V HA 0.393 4.513 4.120 0.001 0.000 0.302 9 V C -0.985 175.463 176.094 0.590 0.000 1.038 9 V CA -0.776 61.756 62.300 0.387 0.000 0.887 9 V CB 0.972 32.994 31.823 0.331 0.000 0.991 9 V HN 0.592 nan 8.190 nan 0.000 0.434 10 W N 3.593 125.036 121.300 0.238 0.000 2.417 10 W HA 0.494 5.154 4.660 0.000 0.000 0.317 10 W C -0.276 176.431 176.519 0.315 0.000 1.121 10 W CA -1.386 56.101 57.345 0.237 0.000 1.208 10 W CB 0.917 30.488 29.460 0.185 0.000 1.253 10 W HN 0.458 nan 8.180 nan 0.000 0.533 11 F N 4.005 124.139 119.950 0.308 0.000 2.319 11 F HA 0.442 4.970 4.527 0.001 0.000 0.356 11 F C -0.296 175.628 175.800 0.207 0.000 1.100 11 F CA -1.062 57.083 58.000 0.242 0.000 1.220 11 F CB -0.007 39.111 39.000 0.196 0.000 1.506 11 F HN -0.119 nan 8.300 nan 0.000 0.512 12 V N 6.112 126.042 119.914 0.027 0.000 2.583 12 V HA 0.251 4.371 4.120 0.001 0.000 0.287 12 V C 0.376 176.383 176.094 -0.145 0.000 1.051 12 V CA -0.283 62.035 62.300 0.031 0.000 1.010 12 V CB 1.281 33.228 31.823 0.207 0.000 0.988 12 V HN 0.417 nan 8.190 nan 0.000 0.478 13 I N 3.271 123.780 120.570 -0.102 0.000 2.436 13 I HA 0.575 4.745 4.170 0.001 0.000 0.289 13 I C 0.601 176.685 176.117 -0.055 0.000 1.010 13 I CA -0.283 60.910 61.300 -0.178 0.000 1.098 13 I CB 1.982 39.835 38.000 -0.245 0.000 1.266 13 I HN 0.729 nan 8.210 nan 0.000 0.434 14 G N 3.229 112.021 108.800 -0.013 0.000 2.343 14 G HA2 0.558 4.518 3.960 0.001 0.000 0.319 14 G HA3 0.558 4.518 3.960 0.001 0.000 0.319 14 G C -0.509 174.371 174.900 -0.033 0.000 1.126 14 G CA -0.074 45.121 45.100 0.158 0.000 0.889 14 G HN 0.570 nan 8.290 nan 0.000 0.457 15 S N 1.020 116.701 115.700 -0.031 0.000 4.323 15 S HA 0.702 5.172 4.470 0.001 0.000 0.245 15 S C -0.972 173.643 174.600 0.025 0.000 1.102 15 S CA -0.341 57.824 58.200 -0.059 0.000 1.550 15 S CB 1.066 64.167 63.200 -0.166 0.000 1.359 15 S HN 0.797 nan 8.310 nan 0.000 0.725 16 Q N -0.370 119.466 119.800 0.059 0.000 2.443 16 Q HA 0.253 4.594 4.340 0.001 0.000 0.258 16 Q C 0.220 176.262 176.000 0.070 0.000 0.967 16 Q CA -0.599 55.256 55.803 0.086 0.000 0.951 16 Q CB 0.704 29.509 28.738 0.112 0.000 1.459 16 Q HN 0.960 nan 8.270 nan 0.000 0.415 17 H N 4.354 123.432 119.070 0.014 0.000 2.422 17 H HA -0.133 4.424 4.556 0.001 0.000 0.298 17 H C 1.089 176.427 175.328 0.017 0.000 1.098 17 H CA 1.766 57.813 56.048 -0.001 0.000 1.315 17 H CB -0.017 29.729 29.762 -0.027 0.000 1.382 17 H HN 0.693 nan 8.280 nan 0.000 0.523 18 L N -0.001 120.856 121.223 -0.610 0.000 2.064 18 L HA -0.285 4.055 4.340 0.001 0.000 0.216 18 L C 2.543 179.278 176.870 -0.224 0.000 1.077 18 L CA 1.961 56.527 54.840 -0.456 0.000 0.766 18 L CB -0.850 40.937 42.059 -0.454 0.000 0.890 18 L HN 0.200 nan 8.230 nan 0.000 0.435 19 Y N -0.118 120.101 120.300 -0.133 0.000 2.403 19 Y HA -0.015 4.536 4.550 0.000 0.000 0.291 19 Y C 1.465 177.318 175.900 -0.078 0.000 1.143 19 Y CA 0.895 58.940 58.100 -0.091 0.000 1.257 19 Y CB -0.196 38.207 38.460 -0.094 0.000 0.984 19 Y HN 0.314 nan 8.280 nan 0.000 0.550 20 G N -1.597 107.239 108.800 0.060 0.000 2.525 20 G HA2 -0.108 3.852 3.960 0.001 0.000 0.685 20 G HA3 -0.108 3.852 3.960 0.001 0.000 0.685 20 G C -2.097 172.808 174.900 0.009 0.000 1.285 20 G CA -0.696 44.418 45.100 0.023 0.000 0.849 20 G HN -0.128 nan 8.290 nan 0.000 0.653 21 P HA -0.161 nan 4.420 nan 0.000 0.217 21 P C 1.463 178.733 177.300 -0.050 0.000 1.162 21 P CA 1.645 64.731 63.100 -0.023 0.000 0.901 21 P CB 0.167 31.855 31.700 -0.020 0.000 0.793 22 E N -0.977 119.196 120.200 -0.047 0.000 2.204 22 E HA -0.086 4.264 4.350 0.001 0.000 0.194 22 E C 1.925 178.459 176.600 -0.110 0.000 0.989 22 E CA 1.135 57.494 56.400 -0.067 0.000 0.824 22 E CB -0.758 28.915 29.700 -0.046 0.000 0.756 22 E HN 0.272 nan 8.360 nan 0.000 0.477 23 T N 1.294 115.783 114.554 -0.108 0.000 2.867 23 T HA -0.045 4.306 4.350 0.001 0.000 0.268 23 T C 2.006 176.540 174.700 -0.275 0.000 1.057 23 T CA 0.614 62.601 62.100 -0.188 0.000 1.136 23 T CB -0.030 68.754 68.868 -0.140 0.000 0.874 23 T HN 0.147 nan 8.240 nan 0.000 0.466 24 L N 0.627 121.731 121.223 -0.199 0.000 2.217 24 L HA 0.015 4.356 4.340 0.001 0.000 0.211 24 L C 3.350 180.087 176.870 -0.221 0.000 1.107 24 L CA 1.046 55.756 54.840 -0.217 0.000 0.783 24 L CB -0.810 41.171 42.059 -0.130 0.000 0.919 24 L HN 0.203 nan 8.230 nan 0.000 0.442 25 R N 0.313 120.705 120.500 -0.180 0.000 2.148 25 R HA -0.123 4.217 4.340 0.001 0.000 0.227 25 R C 1.919 178.086 176.300 -0.221 0.000 1.103 25 R CA 1.342 57.345 56.100 -0.162 0.000 0.983 25 R CB -1.035 29.198 30.300 -0.111 0.000 0.874 25 R HN 0.500 nan 8.270 nan 0.000 0.451 26 Q N 0.173 119.792 119.800 -0.302 0.000 2.096 26 Q HA -0.063 4.278 4.340 0.001 0.000 0.197 26 Q C 2.536 178.099 176.000 -0.729 0.000 0.964 26 Q CA 1.694 57.236 55.803 -0.434 0.000 0.838 26 Q CB -0.124 28.367 28.738 -0.411 0.000 0.906 26 Q HN 0.591 nan 8.270 nan 0.000 0.444 27 V N -0.761 118.699 119.914 -0.755 0.000 2.295 27 V HA -0.231 3.890 4.120 0.001 0.000 0.246 27 V C 2.327 178.163 176.094 -0.430 0.000 1.049 27 V CA 2.121 63.900 62.300 -0.868 0.000 1.024 27 V CB -1.835 29.399 31.823 -0.981 0.000 0.648 27 V HN 0.396 nan 8.190 nan 0.000 0.447 28 T N -0.968 113.401 114.554 -0.308 0.000 2.778 28 T HA -0.324 4.026 4.350 0.001 0.000 0.269 28 T C 1.919 176.559 174.700 -0.100 0.000 1.050 28 T CA 2.131 64.135 62.100 -0.160 0.000 1.137 28 T CB -0.698 68.091 68.868 -0.132 0.000 0.860 28 T HN 0.657 nan 8.240 nan 0.000 0.468 29 Q N 0.336 120.051 119.800 -0.141 0.000 2.050 29 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 29 Q C 2.329 178.326 176.000 -0.005 0.000 0.980 29 Q CA 1.666 57.434 55.803 -0.059 0.000 0.840 29 Q CB -0.343 28.354 28.738 -0.069 0.000 0.898 29 Q HN 0.771 nan 8.270 nan 0.000 0.424 30 H N 0.048 118.932 119.070 -0.310 0.000 2.265 30 H HA -0.181 4.375 4.556 0.000 0.000 0.295 30 H C 2.215 177.535 175.328 -0.015 0.000 1.084 30 H CA 0.538 56.307 56.048 -0.465 0.000 1.261 30 H CB -0.077 29.453 29.762 -0.386 0.000 1.360 30 H HN 0.355 nan 8.280 nan 0.000 0.487 31 A N 1.442 124.402 122.820 0.233 0.000 1.870 31 A HA -0.308 4.012 4.320 0.001 0.000 0.219 31 A C 2.112 179.792 177.584 0.161 0.000 1.224 31 A CA 2.306 54.526 52.037 0.305 0.000 0.650 31 A CB -0.802 18.323 19.000 0.208 0.000 0.836 31 A HN 0.519 nan 8.150 nan 0.000 0.454 32 E N -2.192 118.061 120.200 0.090 0.000 2.265 32 E HA -0.215 4.136 4.350 0.001 0.000 0.196 32 E C 1.816 178.431 176.600 0.026 0.000 0.996 32 E CA 1.179 57.604 56.400 0.041 0.000 0.832 32 E CB -0.172 29.544 29.700 0.026 0.000 0.756 32 E HN 0.882 nan 8.360 nan 0.000 0.491 33 H N -0.568 118.493 119.070 -0.016 0.000 2.294 33 H HA -0.053 4.503 4.556 0.001 0.000 0.306 33 H C 2.009 177.216 175.328 -0.201 0.000 1.065 33 H CA 1.582 57.624 56.048 -0.010 0.000 1.343 33 H CB 0.028 29.884 29.762 0.157 0.000 1.396 33 H HN -0.077 nan 8.280 nan 0.000 0.506 34 V N -0.066 119.720 119.914 -0.214 0.000 2.220 34 V HA -0.293 3.828 4.120 0.001 0.000 0.246 34 V C 2.529 178.365 176.094 -0.430 0.000 1.049 34 V CA 1.774 63.612 62.300 -0.770 0.000 1.003 34 V CB -0.814 30.496 31.823 -0.856 0.000 0.634 34 V HN 0.336 nan 8.190 nan 0.000 0.444 35 V N 0.804 120.494 119.914 -0.373 0.000 2.277 35 V HA -0.377 3.743 4.120 0.001 0.000 0.253 35 V C 2.397 178.383 176.094 -0.179 0.000 1.067 35 V CA 2.786 64.883 62.300 -0.339 0.000 1.047 35 V CB -1.014 30.682 31.823 -0.212 0.000 0.649 35 V HN 0.731 nan 8.190 nan 0.000 0.447 36 N N 0.181 118.796 118.700 -0.142 0.000 2.106 36 N HA -0.106 4.634 4.740 0.001 0.000 0.188 36 N C 1.719 177.176 175.510 -0.089 0.000 1.029 36 N CA 1.749 54.735 53.050 -0.106 0.000 0.848 36 N CB -0.387 38.030 38.487 -0.117 0.000 1.007 36 N HN 0.418 nan 8.380 nan 0.000 0.423 37 A N 0.432 123.195 122.820 -0.095 0.000 1.972 37 A HA -0.034 4.286 4.320 0.001 0.000 0.219 37 A C 2.304 179.924 177.584 0.059 0.000 1.169 37 A CA 1.018 53.076 52.037 0.036 0.000 0.635 37 A CB -0.705 18.448 19.000 0.255 0.000 0.810 37 A HN 0.382 nan 8.150 nan 0.000 0.446 38 L N -0.507 120.723 121.223 0.011 0.000 2.109 38 L HA -0.131 4.209 4.340 0.001 0.000 0.207 38 L C 2.298 179.131 176.870 -0.061 0.000 1.086 38 L CA 0.864 55.683 54.840 -0.034 0.000 0.760 38 L CB -0.612 41.420 42.059 -0.046 0.000 0.910 38 L HN 0.379 nan 8.230 nan 0.000 0.437 39 N N -0.350 118.320 118.700 -0.050 0.000 2.080 39 N HA -0.128 4.613 4.740 0.001 0.000 0.189 39 N C 1.771 177.267 175.510 -0.024 0.000 1.036 39 N CA 1.832 54.866 53.050 -0.028 0.000 0.846 39 N CB -0.489 37.986 38.487 -0.020 0.000 1.015 39 N HN 0.237 nan 8.380 nan 0.000 0.423 40 T N 2.213 116.752 114.554 -0.024 0.000 2.486 40 T HA -0.135 4.215 4.350 0.001 0.000 0.257 40 T C 1.141 175.830 174.700 -0.018 0.000 1.175 40 T CA 1.366 63.457 62.100 -0.016 0.000 1.207 40 T CB -0.296 68.565 68.868 -0.012 0.000 0.864 40 T HN 0.349 nan 8.240 nan 0.000 0.405 41 E N -0.225 119.963 120.200 -0.020 0.000 4.034 41 E HA 0.550 4.901 4.350 0.001 0.000 0.297 41 E C 0.757 177.300 176.600 -0.095 0.000 1.372 41 E CA 0.076 56.453 56.400 -0.037 0.000 1.555 41 E CB 0.043 29.734 29.700 -0.015 0.000 1.488 41 E HN 0.371 nan 8.360 nan 0.000 0.782 42 A N 0.451 123.179 122.820 -0.154 0.000 2.860 42 A HA -0.279 4.041 4.320 0.001 0.000 0.267 42 A C 0.437 177.931 177.584 -0.150 0.000 1.421 42 A CA 1.237 53.087 52.037 -0.312 0.000 0.831 42 A CB -2.250 16.349 19.000 -0.669 0.000 1.041 42 A HN 0.439 nan 8.150 nan 0.000 0.623 43 K N -0.133 120.224 120.400 -0.071 0.000 2.237 43 K HA 0.059 4.379 4.320 0.001 0.000 0.249 43 K C 0.114 176.700 176.600 -0.023 0.000 1.351 43 K CA 0.740 57.005 56.287 -0.036 0.000 1.325 43 K CB -0.649 31.837 32.500 -0.024 0.000 0.752 43 K HN 0.609 nan 8.250 nan 0.000 0.510 44 L N 5.468 126.685 121.223 -0.010 0.000 2.387 44 L HA 0.368 4.708 4.340 0.001 0.000 0.266 44 L C -0.982 175.904 176.870 0.026 0.000 1.059 44 L CA -2.113 52.740 54.840 0.021 0.000 0.801 44 L CB 0.966 43.056 42.059 0.051 0.000 1.223 44 L HN 0.500 nan 8.230 nan 0.000 0.456 45 P HA 0.042 nan 4.420 nan 0.000 0.252 45 P C -0.702 176.718 177.300 0.200 0.000 1.265 45 P CA 0.135 63.265 63.100 0.050 0.000 0.775 45 P CB -0.207 31.476 31.700 -0.029 0.000 1.128 46 C N -4.413 114.984 119.300 0.161 0.000 3.302 46 C HA 0.557 5.017 4.460 0.001 0.000 0.347 46 C C -0.549 174.517 174.990 0.127 0.000 1.218 46 C CA -1.026 58.093 59.018 0.169 0.000 1.234 46 C CB 1.370 29.237 27.740 0.210 0.000 1.551 46 C HN -0.078 nan 8.230 nan 0.000 0.501 47 K N 0.203 120.668 120.400 0.108 0.000 4.132 47 K HA -0.083 4.237 4.320 0.001 0.000 0.335 47 K C -0.891 175.807 176.600 0.163 0.000 1.113 47 K CA 0.542 56.904 56.287 0.126 0.000 0.999 47 K CB -2.055 30.533 32.500 0.147 0.000 1.483 47 K HN 0.831 nan 8.250 nan 0.000 0.434 48 L N 0.970 122.269 121.223 0.128 0.000 2.257 48 L HA 0.467 4.807 4.340 0.001 0.000 0.290 48 L C 0.634 177.583 176.870 0.131 0.000 1.044 48 L CA -0.946 53.989 54.840 0.159 0.000 0.810 48 L CB 1.596 43.697 42.059 0.069 0.000 1.193 48 L HN 0.195 nan 8.230 nan 0.000 0.425 49 V N 4.901 124.917 119.914 0.170 0.000 2.432 49 V HA 0.194 4.314 4.120 0.001 0.000 0.275 49 V C 0.108 176.239 176.094 0.063 0.000 1.043 49 V CA -0.552 61.777 62.300 0.048 0.000 0.925 49 V CB 1.768 33.541 31.823 -0.082 0.000 0.985 49 V HN 0.423 nan 8.190 nan 0.000 0.466 50 L N 7.215 128.469 121.223 0.052 0.000 2.290 50 L HA 0.510 4.851 4.340 0.001 0.000 0.284 50 L C 0.054 176.902 176.870 -0.037 0.000 1.078 50 L CA 0.204 55.111 54.840 0.112 0.000 0.815 50 L CB 0.531 42.675 42.059 0.141 0.000 1.162 50 L HN 0.432 nan 8.230 nan 0.000 0.435 51 K N 5.129 125.504 120.400 -0.042 0.000 2.095 51 K HA 0.544 4.864 4.320 0.001 0.000 0.252 51 K C -2.322 174.234 176.600 -0.073 0.000 0.977 51 K CA -2.070 54.139 56.287 -0.131 0.000 0.900 51 K CB 0.303 32.725 32.500 -0.130 0.000 1.060 51 K HN 0.433 nan 8.250 nan 0.000 0.449 52 P HA 0.006 nan 4.420 nan 0.000 0.266 52 P C -0.137 177.117 177.300 -0.077 0.000 1.193 52 P CA 0.037 63.090 63.100 -0.079 0.000 0.770 52 P CB 0.319 31.970 31.700 -0.083 0.000 0.836 53 L N 1.288 122.459 121.223 -0.087 0.000 2.514 53 L HA 0.123 4.463 4.340 0.001 0.000 0.280 53 L C 1.378 178.182 176.870 -0.110 0.000 1.223 53 L CA 0.154 54.934 54.840 -0.101 0.000 0.864 53 L CB -0.351 41.636 42.059 -0.119 0.000 1.118 53 L HN 0.488 nan 8.230 nan 0.000 0.494 54 G N 0.613 109.336 108.800 -0.130 0.000 2.571 54 G HA2 0.382 4.342 3.960 0.001 0.000 0.327 54 G HA3 0.382 4.342 3.960 0.001 0.000 0.327 54 G C 0.658 175.436 174.900 -0.203 0.000 1.008 54 G CA -0.161 44.801 45.100 -0.230 0.000 1.136 54 G HN 0.797 nan 8.290 nan 0.000 0.444 55 T N -1.643 112.827 114.554 -0.140 0.000 3.040 55 T HA 0.338 4.688 4.350 0.001 0.000 0.266 55 T C 0.875 175.569 174.700 -0.011 0.000 1.005 55 T CA 0.396 62.467 62.100 -0.050 0.000 0.906 55 T CB 0.366 69.238 68.868 0.007 0.000 1.082 55 T HN 0.768 nan 8.240 nan 0.000 0.531 56 T N -1.837 112.653 114.554 -0.106 0.000 2.868 56 T HA 0.529 4.880 4.350 0.001 0.000 0.306 56 T C -2.726 171.876 174.700 -0.163 0.000 1.224 56 T CA -1.473 60.573 62.100 -0.091 0.000 1.012 56 T CB 1.777 70.574 68.868 -0.118 0.000 1.221 56 T HN -0.337 nan 8.240 nan 0.000 0.499 57 P HA -0.030 nan 4.420 nan 0.000 0.218 57 P C 0.715 177.933 177.300 -0.136 0.000 1.146 57 P CA 1.065 64.086 63.100 -0.132 0.000 0.813 57 P CB 0.111 31.771 31.700 -0.067 0.000 0.778 58 D N -1.100 119.228 120.400 -0.119 0.000 2.201 58 D HA -0.052 4.588 4.640 0.001 0.000 0.209 58 D C 1.880 178.116 176.300 -0.108 0.000 0.961 58 D CA 0.758 54.700 54.000 -0.097 0.000 0.861 58 D CB -0.381 40.370 40.800 -0.083 0.000 0.997 58 D HN 0.232 nan 8.370 nan 0.000 0.486 59 E N 0.457 120.579 120.200 -0.130 0.000 2.130 59 E HA -0.155 4.195 4.350 0.001 0.000 0.196 59 E C 2.166 178.667 176.600 -0.164 0.000 0.998 59 E CA 0.688 57.009 56.400 -0.133 0.000 0.806 59 E CB -0.008 29.606 29.700 -0.144 0.000 0.738 59 E HN 0.315 nan 8.360 nan 0.000 0.459 60 I N 0.391 120.806 120.570 -0.260 0.000 2.353 60 I HA -0.189 3.981 4.170 0.001 0.000 0.248 60 I C 2.327 178.350 176.117 -0.157 0.000 1.119 60 I CA 0.894 61.979 61.300 -0.358 0.000 1.417 60 I CB -0.114 37.447 38.000 -0.732 0.000 1.078 60 I HN 0.057 nan 8.210 nan 0.000 0.421 61 T N 0.711 115.198 114.554 -0.111 0.000 2.821 61 T HA -0.090 4.261 4.350 0.001 0.000 0.267 61 T C 2.067 176.766 174.700 -0.002 0.000 1.046 61 T CA 1.353 63.432 62.100 -0.035 0.000 1.139 61 T CB -0.195 68.652 68.868 -0.035 0.000 0.871 61 T HN 0.438 nan 8.240 nan 0.000 0.454 62 A N 1.395 124.205 122.820 -0.016 0.000 1.858 62 A HA -0.028 4.292 4.320 0.001 0.000 0.216 62 A C 2.251 179.880 177.584 0.074 0.000 1.190 62 A CA 1.249 53.293 52.037 0.012 0.000 0.617 62 A CB -0.906 18.086 19.000 -0.013 0.000 0.827 62 A HN 0.493 nan 8.150 nan 0.000 0.443 63 I N -0.303 120.314 120.570 0.078 0.000 2.185 63 I HA -0.428 3.742 4.170 0.001 0.000 0.246 63 I C 2.539 178.820 176.117 0.273 0.000 1.088 63 I CA 1.644 63.064 61.300 0.199 0.000 1.347 63 I CB -0.441 37.644 38.000 0.141 0.000 1.041 63 I HN 0.433 nan 8.210 nan 0.000 0.415 64 C N 0.098 119.496 119.300 0.164 0.000 2.466 64 C HA -0.119 4.342 4.460 0.001 0.000 0.278 64 C C 2.960 178.014 174.990 0.106 0.000 1.288 64 C CA 0.875 59.975 59.018 0.137 0.000 1.722 64 C CB -1.157 26.656 27.740 0.122 0.000 2.017 64 C HN 0.517 nan 8.230 nan 0.000 0.488 65 R N 1.573 122.131 120.500 0.097 0.000 2.083 65 R HA -0.174 4.166 4.340 0.001 0.000 0.237 65 R C 1.480 177.860 176.300 0.134 0.000 1.137 65 R CA 2.550 58.701 56.100 0.084 0.000 0.951 65 R CB -0.717 29.609 30.300 0.043 0.000 0.851 65 R HN 0.366 nan 8.270 nan 0.000 0.434 66 D N 0.633 121.146 120.400 0.188 0.000 2.123 66 D HA -0.102 4.538 4.640 0.001 0.000 0.196 66 D C 1.861 178.382 176.300 0.368 0.000 0.992 66 D CA 1.777 55.972 54.000 0.325 0.000 0.833 66 D CB -0.200 40.834 40.800 0.389 0.000 0.954 66 D HN 0.468 nan 8.370 nan 0.000 0.455 67 A N 0.912 123.808 122.820 0.127 0.000 1.845 67 A HA -0.228 4.093 4.320 0.001 0.000 0.215 67 A C 2.007 179.456 177.584 -0.225 0.000 1.195 67 A CA 1.552 53.294 52.037 -0.492 0.000 0.616 67 A CB -0.733 18.014 19.000 -0.421 0.000 0.832 67 A HN 0.112 nan 8.150 nan 0.000 0.443 68 N N -1.437 117.234 118.700 -0.048 0.000 2.133 68 N HA -0.236 4.504 4.740 0.001 0.000 0.193 68 N C 1.497 177.045 175.510 0.064 0.000 1.012 68 N CA 2.041 55.095 53.050 0.008 0.000 0.871 68 N CB -0.629 37.894 38.487 0.058 0.000 1.011 68 N HN 0.733 nan 8.380 nan 0.000 0.435 69 Y N 0.832 121.132 120.300 0.000 0.000 2.206 69 Y HA -0.052 4.498 4.550 0.000 0.000 0.292 69 Y C 0.329 176.259 175.900 0.050 0.000 1.123 69 Y CA 0.398 58.521 58.100 0.039 0.000 1.142 69 Y CB -0.028 38.475 38.460 0.072 0.000 1.006 69 Y HN -0.107 nan 8.280 nan 0.000 0.518 70 D N 1.256 121.730 120.400 0.123 0.000 2.363 70 D HA -0.065 4.576 4.640 0.001 0.000 0.263 70 D C 0.762 177.060 176.300 -0.003 0.000 1.258 70 D CA 0.333 54.396 54.000 0.105 0.000 0.907 70 D CB 0.430 41.434 40.800 0.340 0.000 1.107 70 D HN 0.478 nan 8.370 nan 0.000 0.495 71 D N 3.448 123.815 120.400 -0.055 0.000 2.218 71 D HA -0.133 4.507 4.640 0.001 0.000 0.204 71 D C -1.228 175.087 176.300 0.026 0.000 0.976 71 D CA 0.362 54.343 54.000 -0.031 0.000 0.853 71 D CB -1.123 39.623 40.800 -0.091 0.000 0.939 71 D HN 0.386 nan 8.370 nan 0.000 0.481 72 P HA 0.160 nan 4.420 nan 0.000 0.262 72 P C -0.102 177.343 177.300 0.241 0.000 1.304 72 P CA -0.474 62.679 63.100 0.089 0.000 0.859 72 P CB -0.163 31.552 31.700 0.026 0.000 1.310 73 C N 0.878 120.238 119.300 0.099 0.000 2.227 73 C HA 0.659 5.119 4.460 0.001 0.000 0.333 73 C C 1.713 176.607 174.990 -0.161 0.000 1.145 73 C CA -0.042 58.883 59.018 -0.156 0.000 1.643 73 C CB -1.599 25.707 27.740 -0.723 0.000 2.185 73 C HN 0.340 nan 8.230 nan 0.000 0.497 74 A N 4.271 127.026 122.820 -0.108 0.000 2.147 74 A HA 0.614 4.934 4.320 0.001 0.000 0.211 74 A C 1.031 178.476 177.584 -0.232 0.000 1.160 74 A CA 0.753 52.653 52.037 -0.228 0.000 0.781 74 A CB -0.133 18.639 19.000 -0.380 0.000 0.842 74 A HN 1.263 nan 8.150 nan 0.000 0.475 75 G N -1.480 107.236 108.800 -0.140 0.000 2.559 75 G HA2 0.523 4.483 3.960 0.001 0.000 0.291 75 G HA3 0.523 4.483 3.960 0.001 0.000 0.291 75 G C -1.514 173.483 174.900 0.162 0.000 1.424 75 G CA -0.714 44.405 45.100 0.032 0.000 0.786 75 G HN 0.243 nan 8.290 nan 0.000 0.485 76 L N -0.027 121.378 121.223 0.304 0.000 2.354 76 L HA 0.808 5.148 4.340 0.001 0.000 0.269 76 L C -0.463 176.567 176.870 0.267 0.000 1.005 76 L CA -1.341 53.682 54.840 0.304 0.000 0.819 76 L CB 2.204 44.398 42.059 0.225 0.000 1.311 76 L HN 0.475 nan 8.230 nan 0.000 0.423 77 V N 3.667 123.717 119.914 0.227 0.000 2.385 77 V HA 0.406 4.526 4.120 0.001 0.000 0.277 77 V C -0.338 175.750 176.094 -0.010 0.000 1.012 77 V CA -0.553 61.786 62.300 0.065 0.000 0.832 77 V CB 1.675 33.600 31.823 0.169 0.000 1.028 77 V HN 0.521 nan 8.190 nan 0.000 0.436 78 V N 4.286 124.112 119.914 -0.147 0.000 2.583 78 V HA 0.672 4.793 4.120 0.001 0.000 0.287 78 V C -0.561 175.411 176.094 -0.203 0.000 1.051 78 V CA -0.396 61.746 62.300 -0.265 0.000 1.010 78 V CB 1.257 32.787 31.823 -0.488 0.000 0.988 78 V HN 1.073 nan 8.190 nan 0.000 0.478 79 W N 6.496 127.512 121.300 -0.474 0.000 2.471 79 W HA 0.673 5.333 4.660 0.000 0.000 0.318 79 W C -1.227 175.121 176.519 -0.284 0.000 1.034 79 W CA -2.245 54.892 57.345 -0.346 0.000 1.224 79 W CB 1.324 30.578 29.460 -0.342 0.000 1.335 79 W HN 0.643 nan 8.180 nan 0.000 0.452 80 L N 7.661 128.831 121.223 -0.088 0.000 2.387 80 L HA 0.050 4.391 4.340 0.001 0.000 0.267 80 L C 1.999 178.635 176.870 -0.391 0.000 1.197 80 L CA -0.245 54.449 54.840 -0.243 0.000 1.070 80 L CB -0.185 41.794 42.059 -0.133 0.000 1.349 80 L HN 0.620 nan 8.230 nan 0.000 0.422 81 H N 0.855 119.352 119.070 -0.955 0.000 2.319 81 H HA -0.056 4.500 4.556 0.000 0.000 0.297 81 H C 0.454 175.499 175.328 -0.471 0.000 1.097 81 H CA 1.259 56.718 56.048 -0.981 0.000 1.285 81 H CB 0.536 29.637 29.762 -1.101 0.000 1.368 81 H HN 0.425 nan 8.280 nan 0.000 0.495 82 T N -0.807 113.631 114.554 -0.194 0.000 2.907 82 T HA 0.239 4.590 4.350 0.001 0.000 0.290 82 T C -0.933 173.738 174.700 -0.047 0.000 1.066 82 T CA -0.726 61.262 62.100 -0.187 0.000 1.012 82 T CB 1.332 69.968 68.868 -0.386 0.000 1.184 82 T HN 0.105 nan 8.240 nan 0.000 0.522 83 F N 2.414 122.283 119.950 -0.135 0.000 2.623 83 F HA 0.247 4.775 4.527 0.001 0.000 0.383 83 F C 0.672 176.538 175.800 0.110 0.000 1.077 83 F CA 0.693 58.701 58.000 0.014 0.000 1.268 83 F CB 0.405 39.479 39.000 0.124 0.000 1.053 83 F HN 0.355 nan 8.300 nan 0.000 0.571 84 S N 7.842 123.340 115.700 -0.338 0.000 2.381 84 S HA 0.390 4.861 4.470 0.001 0.000 0.193 84 S C -2.783 171.744 174.600 -0.122 0.000 1.287 84 S CA -1.422 56.725 58.200 -0.089 0.000 1.199 84 S CB 0.398 63.691 63.200 0.155 0.000 1.214 84 S HN 0.337 nan 8.310 nan 0.000 0.444 85 P HA 0.093 nan 4.420 nan 0.000 0.261 85 P C 0.758 178.118 177.300 0.100 0.000 1.173 85 P CA 0.191 63.157 63.100 -0.223 0.000 0.760 85 P CB 0.534 32.197 31.700 -0.063 0.000 0.783 86 A N 4.960 127.845 122.820 0.108 0.000 1.969 86 A HA -0.202 4.119 4.320 0.001 0.000 0.218 86 A C 1.843 179.585 177.584 0.263 0.000 1.169 86 A CA 1.336 53.516 52.037 0.237 0.000 0.635 86 A CB -0.773 18.310 19.000 0.137 0.000 0.810 86 A HN 0.500 nan 8.150 nan 0.000 0.445 87 K N -0.651 119.851 120.400 0.171 0.000 2.152 87 K HA -0.139 4.181 4.320 0.001 0.000 0.206 87 K C 1.887 178.560 176.600 0.123 0.000 1.048 87 K CA 1.629 57.995 56.287 0.131 0.000 0.933 87 K CB -0.347 32.209 32.500 0.092 0.000 0.721 87 K HN 0.550 nan 8.250 nan 0.000 0.447 88 M N -1.085 118.588 119.600 0.122 0.000 2.202 88 M HA -0.196 4.284 4.480 0.001 0.000 0.262 88 M C 1.216 177.488 176.300 -0.045 0.000 1.063 88 M CA 1.683 56.980 55.300 -0.004 0.000 1.097 88 M CB -0.312 32.225 32.600 -0.104 0.000 1.382 88 M HN 0.260 nan 8.290 nan 0.000 0.413 89 W N -0.233 121.099 121.300 0.054 0.000 3.077 89 W HA 0.196 4.856 4.660 0.001 0.000 0.266 89 W C 1.845 178.394 176.519 0.050 0.000 1.300 89 W CA -0.147 57.246 57.345 0.080 0.000 1.586 89 W CB -0.365 29.185 29.460 0.150 0.000 1.103 89 W HN 0.075 nan 8.180 nan 0.000 0.652 90 I N 1.003 121.701 120.570 0.215 0.000 2.118 90 I HA -0.389 3.781 4.170 0.001 0.000 0.241 90 I C 1.846 178.017 176.117 0.090 0.000 1.070 90 I CA 1.531 62.903 61.300 0.121 0.000 1.327 90 I CB -0.480 37.567 38.000 0.078 0.000 1.034 90 I HN -0.014 nan 8.210 nan 0.000 0.405 91 N N 0.913 119.653 118.700 0.068 0.000 2.331 91 N HA -0.083 4.657 4.740 0.001 0.000 0.180 91 N C 1.749 177.292 175.510 0.056 0.000 1.019 91 N CA 1.291 54.368 53.050 0.044 0.000 0.881 91 N CB -0.519 37.979 38.487 0.020 0.000 0.972 91 N HN 0.401 nan 8.380 nan 0.000 0.435 92 G N 0.640 109.488 108.800 0.081 0.000 2.404 92 G HA2 -0.105 3.855 3.960 0.001 0.000 0.214 92 G HA3 -0.105 3.855 3.960 0.001 0.000 0.214 92 G C 1.427 176.419 174.900 0.153 0.000 1.189 92 G CA 0.178 45.342 45.100 0.107 0.000 0.789 92 G HN 0.233 nan 8.290 nan 0.000 0.533 93 L N 0.819 122.168 121.223 0.210 0.000 2.353 93 L HA -0.041 4.299 4.340 0.001 0.000 0.220 93 L C 2.957 179.893 176.870 0.110 0.000 1.133 93 L CA 0.932 55.890 54.840 0.197 0.000 0.798 93 L CB -0.385 41.798 42.059 0.207 0.000 0.922 93 L HN 0.168 nan 8.230 nan 0.000 0.445 94 T N 0.040 114.642 114.554 0.080 0.000 2.857 94 T HA -0.140 4.211 4.350 0.001 0.000 0.266 94 T C 1.775 176.500 174.700 0.041 0.000 1.048 94 T CA 1.570 63.696 62.100 0.044 0.000 1.139 94 T CB -0.033 68.854 68.868 0.032 0.000 0.874 94 T HN 0.463 nan 8.240 nan 0.000 0.455 95 M N 0.153 119.783 119.600 0.052 0.000 2.516 95 M HA 0.312 4.792 4.480 0.001 0.000 0.259 95 M C 0.474 176.801 176.300 0.046 0.000 1.146 95 M CA 0.125 55.450 55.300 0.041 0.000 1.122 95 M CB -0.234 32.389 32.600 0.039 0.000 1.341 95 M HN 0.033 nan 8.290 nan 0.000 0.478 96 L N 3.805 125.068 121.223 0.067 0.000 2.628 96 L HA 0.128 4.469 4.340 0.001 0.000 0.274 96 L C 0.636 177.528 176.870 0.037 0.000 1.209 96 L CA 1.467 56.346 54.840 0.065 0.000 0.930 96 L CB 0.024 42.149 42.059 0.110 0.000 1.183 96 L HN 0.476 nan 8.230 nan 0.000 0.492 97 N N 3.905 122.610 118.700 0.009 0.000 2.338 97 N HA 0.292 5.033 4.740 0.001 0.000 0.251 97 N C 0.115 175.600 175.510 -0.042 0.000 1.199 97 N CA -0.308 52.732 53.050 -0.016 0.000 0.879 97 N CB 0.110 38.583 38.487 -0.022 0.000 1.159 97 N HN 0.600 nan 8.380 nan 0.000 0.514 98 K N 0.958 121.337 120.400 -0.034 0.000 2.318 98 K HA 0.570 4.891 4.320 0.001 0.000 0.249 98 K C -2.733 173.869 176.600 0.002 0.000 0.942 98 K CA -1.970 54.281 56.287 -0.059 0.000 0.808 98 K CB 2.468 34.900 32.500 -0.114 0.000 1.189 98 K HN 0.013 nan 8.250 nan 0.000 0.428 99 P HA -0.092 nan 4.420 nan 0.000 0.264 99 P C -1.338 176.183 177.300 0.368 0.000 1.179 99 P CA -0.132 63.062 63.100 0.157 0.000 0.763 99 P CB 0.339 32.032 31.700 -0.012 0.000 0.806 100 L N 4.410 125.840 121.223 0.344 0.000 2.436 100 L HA 0.659 4.999 4.340 0.001 0.000 0.268 100 L C -1.781 174.974 176.870 -0.191 0.000 0.974 100 L CA -0.788 54.105 54.840 0.087 0.000 0.826 100 L CB 1.561 43.517 42.059 -0.173 0.000 1.291 100 L HN 0.274 nan 8.230 nan 0.000 0.406 101 L N 4.139 125.028 121.223 -0.556 0.000 2.376 101 L HA 0.529 4.869 4.340 0.001 0.000 0.275 101 L C -0.740 175.885 176.870 -0.409 0.000 0.987 101 L CA -0.321 54.047 54.840 -0.787 0.000 0.828 101 L CB 1.556 42.548 42.059 -1.778 0.000 1.249 101 L HN 0.850 nan 8.230 nan 0.000 0.409 102 Q N 4.172 123.843 119.800 -0.213 0.000 2.337 102 Q HA 0.141 4.481 4.340 0.001 0.000 0.255 102 Q C -1.283 174.747 176.000 0.049 0.000 0.997 102 Q CA -0.602 55.138 55.803 -0.106 0.000 0.925 102 Q CB 0.824 29.548 28.738 -0.023 0.000 1.212 102 Q HN 0.584 nan 8.270 nan 0.000 0.436 103 F N 5.687 125.587 119.950 -0.083 0.000 2.464 103 F HA 0.068 4.595 4.527 0.000 0.000 0.353 103 F C -0.125 175.675 175.800 -0.001 0.000 1.191 103 F CA -0.568 57.414 58.000 -0.030 0.000 1.147 103 F CB -0.147 38.866 39.000 0.021 0.000 1.294 103 F HN 0.580 nan 8.300 nan 0.000 0.583 104 H N 4.763 123.991 119.070 0.263 0.000 3.224 104 H HA 0.140 4.696 4.556 0.001 0.000 0.265 104 H C 0.064 175.370 175.328 -0.037 0.000 1.461 104 H CA 0.406 56.516 56.048 0.104 0.000 1.509 104 H CB 0.286 30.117 29.762 0.115 0.000 1.686 104 H HN 0.678 nan 8.280 nan 0.000 0.514 105 T N 2.537 116.789 114.554 -0.504 0.000 2.598 105 T HA 0.359 4.709 4.350 0.001 0.000 0.254 105 T C -1.229 173.167 174.700 -0.507 0.000 0.889 105 T CA -0.564 61.090 62.100 -0.743 0.000 1.091 105 T CB 2.048 69.959 68.868 -1.594 0.000 1.437 105 T HN 0.683 nan 8.240 nan 0.000 0.542 106 Q N -0.377 119.151 119.800 -0.454 0.000 2.468 106 Q HA 0.284 4.625 4.340 0.001 0.000 0.263 106 Q C -0.805 175.291 176.000 0.159 0.000 0.979 106 Q CA -0.568 55.229 55.803 -0.010 0.000 0.932 106 Q CB 1.238 30.019 28.738 0.073 0.000 1.462 106 Q HN 0.611 nan 8.270 nan 0.000 0.403 107 F N 2.938 122.967 119.950 0.132 0.000 2.075 107 F HA -0.067 4.460 4.527 0.000 0.000 0.297 107 F C 1.125 177.176 175.800 0.419 0.000 1.113 107 F CA 1.622 59.720 58.000 0.162 0.000 1.218 107 F CB 0.125 39.003 39.000 -0.203 0.000 0.984 107 F HN 0.667 nan 8.300 nan 0.000 0.472 108 N N 1.027 119.883 118.700 0.261 0.000 2.529 108 N HA 0.247 4.987 4.740 0.001 0.000 0.278 108 N C -0.590 174.848 175.510 -0.120 0.000 1.146 108 N CA 0.374 53.462 53.050 0.062 0.000 0.980 108 N CB 1.327 39.905 38.487 0.152 0.000 1.124 108 N HN 0.191 nan 8.380 nan 0.000 0.458 109 A N 0.973 123.430 122.820 -0.604 0.000 3.232 109 A HA 0.659 4.980 4.320 0.001 0.000 0.312 109 A C -0.211 177.149 177.584 -0.373 0.000 1.185 109 A CA -0.225 51.380 52.037 -0.720 0.000 1.011 109 A CB -0.843 17.308 19.000 -1.414 0.000 1.096 109 A HN 1.154 nan 8.150 nan 0.000 0.543 110 A N 0.442 123.117 122.820 -0.242 0.000 2.601 110 A HA 0.481 4.801 4.320 0.001 0.000 0.303 110 A C -1.907 175.496 177.584 -0.301 0.000 1.004 110 A CA -0.452 51.455 52.037 -0.216 0.000 0.742 110 A CB 0.392 19.286 19.000 -0.178 0.000 1.250 110 A HN 0.940 nan 8.150 nan 0.000 0.406 111 L N 3.592 124.502 121.223 -0.522 0.000 2.272 111 L HA 0.520 4.861 4.340 0.001 0.000 0.284 111 L C -2.110 174.157 176.870 -1.005 0.000 1.045 111 L CA -2.113 52.186 54.840 -0.901 0.000 0.842 111 L CB 0.981 42.134 42.059 -1.511 0.000 1.224 111 L HN 0.464 nan 8.230 nan 0.000 0.430 112 P HA -0.007 nan 4.420 nan 0.000 0.252 112 P C 0.209 177.296 177.300 -0.356 0.000 1.635 112 P CA 0.192 63.030 63.100 -0.437 0.000 1.206 112 P CB -0.402 31.037 31.700 -0.435 0.000 1.911 113 W N 2.301 123.525 121.300 -0.127 0.000 2.332 113 W HA -0.178 4.482 4.660 0.000 0.000 0.321 113 W C 1.950 178.423 176.519 -0.077 0.000 1.219 113 W CA 1.625 58.915 57.345 -0.091 0.000 1.277 113 W CB -1.263 28.161 29.460 -0.061 0.000 1.161 113 W HN 0.246 nan 8.180 nan 0.000 0.476 114 D N -0.106 120.407 120.400 0.189 0.000 2.350 114 D HA -0.103 4.537 4.640 0.001 0.000 0.216 114 D C 1.390 177.711 176.300 0.034 0.000 0.968 114 D CA 1.538 55.594 54.000 0.093 0.000 0.894 114 D CB -0.869 39.977 40.800 0.077 0.000 0.909 114 D HN 0.342 nan 8.370 nan 0.000 0.520 115 S N -0.651 115.039 115.700 -0.015 0.000 2.632 115 S HA 0.228 4.698 4.470 0.001 0.000 0.237 115 S C 0.893 175.449 174.600 -0.075 0.000 1.037 115 S CA -0.617 57.559 58.200 -0.040 0.000 1.009 115 S CB 0.452 63.622 63.200 -0.050 0.000 0.974 115 S HN 0.083 nan 8.310 nan 0.000 0.544 116 I N 4.364 124.856 120.570 -0.129 0.000 2.496 116 I HA 0.246 4.417 4.170 0.001 0.000 0.285 116 I C -0.551 175.566 176.117 -0.000 0.000 1.080 116 I CA -0.074 61.132 61.300 -0.157 0.000 1.404 116 I CB 0.572 38.414 38.000 -0.263 0.000 1.403 116 I HN 0.332 nan 8.210 nan 0.000 0.539 117 D N 5.439 125.889 120.400 0.082 0.000 2.533 117 D HA 0.314 4.954 4.640 0.001 0.000 0.247 117 D C 0.722 177.115 176.300 0.154 0.000 1.056 117 D CA -0.793 53.269 54.000 0.103 0.000 1.054 117 D CB 0.614 41.467 40.800 0.089 0.000 1.400 117 D HN 0.147 nan 8.370 nan 0.000 0.533 118 M N 0.339 120.009 119.600 0.117 0.000 2.113 118 M HA -0.184 4.297 4.480 0.001 0.000 0.255 118 M C 0.902 177.284 176.300 0.135 0.000 1.073 118 M CA 1.771 57.141 55.300 0.117 0.000 1.091 118 M CB -1.184 31.466 32.600 0.083 0.000 1.309 118 M HN 0.503 nan 8.290 nan 0.000 0.407 119 D N -0.148 120.325 120.400 0.122 0.000 2.355 119 D HA -0.247 4.393 4.640 0.001 0.000 0.192 119 D C 1.770 178.146 176.300 0.127 0.000 1.014 119 D CA 1.660 55.728 54.000 0.113 0.000 0.862 119 D CB -0.730 40.136 40.800 0.110 0.000 0.986 119 D HN 0.403 nan 8.370 nan 0.000 0.456 120 F N 0.434 120.412 119.950 0.047 0.000 2.154 120 F HA -0.250 4.277 4.527 0.000 0.000 0.301 120 F C 2.351 178.189 175.800 0.063 0.000 1.087 120 F CA 1.410 59.442 58.000 0.054 0.000 1.274 120 F CB -0.062 38.965 39.000 0.046 0.000 1.009 120 F HN -0.082 nan 8.300 nan 0.000 0.485 121 M N 0.495 120.220 119.600 0.209 0.000 2.132 121 M HA -0.140 4.341 4.480 0.001 0.000 0.263 121 M C 2.396 178.740 176.300 0.073 0.000 1.065 121 M CA 1.653 57.044 55.300 0.151 0.000 1.122 121 M CB -2.341 30.370 32.600 0.186 0.000 1.365 121 M HN 0.435 nan 8.290 nan 0.000 0.411 122 N N 1.017 119.767 118.700 0.084 0.000 2.149 122 N HA -0.114 4.627 4.740 0.001 0.000 0.188 122 N C 1.932 177.282 175.510 -0.265 0.000 1.019 122 N CA 1.590 54.700 53.050 0.101 0.000 0.857 122 N CB -0.555 38.073 38.487 0.235 0.000 0.997 122 N HN 0.373 nan 8.380 nan 0.000 0.426 123 L N -0.614 120.451 121.223 -0.264 0.000 2.071 123 L HA 0.075 4.415 4.340 0.001 0.000 0.201 123 L C -0.056 176.651 176.870 -0.271 0.000 1.076 123 L CA 0.973 55.590 54.840 -0.372 0.000 0.755 123 L CB -0.130 41.743 42.059 -0.310 0.000 0.915 123 L HN 0.352 nan 8.230 nan 0.000 0.445 124 N N 0.665 119.190 118.700 -0.292 0.000 3.083 124 N HA 0.097 4.838 4.740 0.001 0.000 0.260 124 N C 0.085 175.525 175.510 -0.116 0.000 1.163 124 N CA -0.075 52.878 53.050 -0.161 0.000 1.060 124 N CB 0.757 39.027 38.487 -0.361 0.000 1.345 124 N HN 0.240 nan 8.380 nan 0.000 0.515 125 Q N -0.406 119.325 119.800 -0.115 0.000 2.280 125 Q HA 0.045 4.386 4.340 0.001 0.000 0.201 125 Q C 0.894 176.741 176.000 -0.254 0.000 0.890 125 Q CA 0.205 55.876 55.803 -0.219 0.000 0.947 125 Q CB 0.278 28.798 28.738 -0.363 0.000 1.081 125 Q HN 0.514 nan 8.270 nan 0.000 0.502 126 T N 1.391 115.886 114.554 -0.098 0.000 2.684 126 T HA -0.320 4.030 4.350 0.001 0.000 0.267 126 T C 1.987 176.671 174.700 -0.027 0.000 1.032 126 T CA 1.650 63.714 62.100 -0.059 0.000 1.155 126 T CB -0.279 68.586 68.868 -0.005 0.000 0.857 126 T HN 0.469 nan 8.240 nan 0.000 0.457 127 A N 2.207 125.041 122.820 0.023 0.000 1.884 127 A HA -0.262 4.059 4.320 0.001 0.000 0.219 127 A C 1.990 179.778 177.584 0.340 0.000 1.197 127 A CA 2.418 54.582 52.037 0.213 0.000 0.637 127 A CB -1.042 18.096 19.000 0.230 0.000 0.827 127 A HN 0.954 nan 8.150 nan 0.000 0.450 128 H N -3.100 116.092 119.070 0.204 0.000 2.465 128 H HA 0.330 4.886 4.556 0.001 0.000 0.289 128 H C 2.080 177.633 175.328 0.374 0.000 1.022 128 H CA 0.479 56.657 56.048 0.218 0.000 1.340 128 H CB -0.677 29.131 29.762 0.077 0.000 1.437 128 H HN 0.330 nan 8.280 nan 0.000 0.539 129 G N 0.820 109.730 108.800 0.183 0.000 2.440 129 G HA2 -0.266 3.695 3.960 0.001 0.000 0.218 129 G HA3 -0.266 3.695 3.960 0.001 0.000 0.218 129 G C 1.857 176.905 174.900 0.245 0.000 1.154 129 G CA 0.690 45.952 45.100 0.269 0.000 0.767 129 G HN 0.571 nan 8.290 nan 0.000 0.552 130 G N -0.018 108.964 108.800 0.303 0.000 2.484 130 G HA2 -0.051 3.909 3.960 0.001 0.000 0.218 130 G HA3 -0.051 3.909 3.960 0.001 0.000 0.218 130 G C 1.917 176.992 174.900 0.292 0.000 1.130 130 G CA 0.477 45.800 45.100 0.370 0.000 0.784 130 G HN 0.459 nan 8.290 nan 0.000 0.543 131 R N -0.124 120.544 120.500 0.280 0.000 2.127 131 R HA 0.099 4.439 4.340 0.001 0.000 0.217 131 R C 2.290 178.736 176.300 0.243 0.000 1.074 131 R CA 0.988 57.215 56.100 0.211 0.000 0.991 131 R CB -0.114 30.305 30.300 0.198 0.000 0.895 131 R HN 0.423 nan 8.270 nan 0.000 0.450 132 E N 1.089 121.468 120.200 0.299 0.000 2.051 132 E HA -0.213 4.138 4.350 0.001 0.000 0.192 132 E C 1.572 178.299 176.600 0.210 0.000 0.991 132 E CA 1.271 57.836 56.400 0.274 0.000 0.799 132 E CB -0.316 29.551 29.700 0.278 0.000 0.748 132 E HN 0.234 nan 8.360 nan 0.000 0.449 133 F N 0.804 120.762 119.950 0.013 0.000 2.095 133 F HA -0.041 4.486 4.527 0.001 0.000 0.298 133 F C 2.120 177.903 175.800 -0.029 0.000 1.104 133 F CA 2.180 60.120 58.000 -0.101 0.000 1.232 133 F CB -0.796 38.077 39.000 -0.213 0.000 0.987 133 F HN 0.170 nan 8.300 nan 0.000 0.475 134 G N -0.529 108.369 108.800 0.162 0.000 2.475 134 G HA2 -0.363 3.597 3.960 0.001 0.000 0.220 134 G HA3 -0.363 3.597 3.960 0.001 0.000 0.220 134 G C 1.620 176.501 174.900 -0.033 0.000 1.125 134 G CA 0.950 46.084 45.100 0.057 0.000 0.755 134 G HN 0.489 nan 8.290 nan 0.000 0.565 135 F N 0.778 120.675 119.950 -0.089 0.000 2.163 135 F HA 0.089 4.616 4.527 0.000 0.000 0.297 135 F C 2.179 177.880 175.800 -0.166 0.000 1.094 135 F CA 0.931 58.876 58.000 -0.092 0.000 1.290 135 F CB -0.156 38.826 39.000 -0.030 0.000 1.017 135 F HN 0.107 nan 8.300 nan 0.000 0.483 136 I N 0.941 121.311 120.570 -0.333 0.000 2.252 136 I HA -0.008 4.162 4.170 0.001 0.000 0.245 136 I C 2.538 178.302 176.117 -0.588 0.000 1.102 136 I CA 1.626 62.645 61.300 -0.468 0.000 1.385 136 I CB -1.366 36.493 38.000 -0.236 0.000 1.064 136 I HN 0.216 nan 8.210 nan 0.000 0.414 137 G N 0.239 108.612 108.800 -0.710 0.000 2.586 137 G HA2 -0.357 3.603 3.960 0.001 0.000 0.218 137 G HA3 -0.357 3.603 3.960 0.001 0.000 0.218 137 G C 1.751 176.307 174.900 -0.574 0.000 1.216 137 G CA 1.115 45.691 45.100 -0.875 0.000 0.786 137 G HN 0.593 nan 8.290 nan 0.000 0.583 138 A N 0.286 122.831 122.820 -0.457 0.000 1.972 138 A HA 0.008 4.328 4.320 0.001 0.000 0.219 138 A C 2.337 179.684 177.584 -0.395 0.000 1.169 138 A CA 2.191 54.024 52.037 -0.340 0.000 0.635 138 A CB -0.366 18.491 19.000 -0.239 0.000 0.810 138 A HN 0.359 nan 8.150 nan 0.000 0.446 139 R N -0.103 120.025 120.500 -0.620 0.000 2.057 139 R HA 0.073 4.413 4.340 0.001 0.000 0.229 139 R C 1.769 177.863 176.300 -0.343 0.000 1.136 139 R CA 2.029 57.775 56.100 -0.591 0.000 0.952 139 R CB -0.596 29.126 30.300 -0.962 0.000 0.848 139 R HN 0.483 nan 8.270 nan 0.000 0.430 140 M N 0.198 119.599 119.600 -0.332 0.000 2.659 140 M HA 0.130 4.610 4.480 0.001 0.000 0.243 140 M C 0.023 176.206 176.300 -0.195 0.000 1.111 140 M CA 0.503 55.669 55.300 -0.223 0.000 1.070 140 M CB 0.151 32.628 32.600 -0.205 0.000 1.525 140 M HN 0.053 nan 8.290 nan 0.000 0.517 141 R N 1.224 121.593 120.500 -0.218 0.000 3.416 141 R HA -0.163 4.178 4.340 0.001 0.000 0.263 141 R C -0.583 175.637 176.300 -0.133 0.000 1.053 141 R CA 0.460 56.468 56.100 -0.153 0.000 0.705 141 R CB -1.568 28.676 30.300 -0.093 0.000 1.124 141 R HN 0.532 nan 8.270 nan 0.000 0.444 142 Q N -0.293 119.379 119.800 -0.213 0.000 2.256 142 Q HA 0.084 4.424 4.340 0.001 0.000 0.232 142 Q C 0.970 176.927 176.000 -0.072 0.000 0.965 142 Q CA -0.486 55.229 55.803 -0.147 0.000 0.908 142 Q CB 1.191 29.792 28.738 -0.228 0.000 1.209 142 Q HN 0.272 nan 8.270 nan 0.000 0.489 143 Q N 0.890 120.741 119.800 0.084 0.000 1.891 143 Q HA -0.195 4.146 4.340 0.001 0.000 0.214 143 Q C -0.597 175.529 176.000 0.209 0.000 0.995 143 Q CA 1.352 57.232 55.803 0.128 0.000 0.866 143 Q CB -0.037 28.784 28.738 0.139 0.000 0.931 143 Q HN 0.698 nan 8.270 nan 0.000 0.422 144 H N -0.317 118.774 119.070 0.036 0.000 2.862 144 H HA -0.141 4.415 4.556 0.001 0.000 0.299 144 H C -0.429 174.900 175.328 0.001 0.000 0.877 144 H CA -0.205 55.858 56.048 0.026 0.000 0.955 144 H CB -1.046 28.713 29.762 -0.004 0.000 1.579 144 H HN 0.511 nan 8.280 nan 0.000 0.321 145 A N 3.245 126.081 122.820 0.026 0.000 2.406 145 A HA 0.537 4.857 4.320 0.001 0.000 0.243 145 A C 0.449 177.974 177.584 -0.098 0.000 1.082 145 A CA -0.060 51.936 52.037 -0.068 0.000 0.786 145 A CB 0.880 19.731 19.000 -0.248 0.000 1.029 145 A HN 0.348 nan 8.150 nan 0.000 0.495 146 V N 1.096 120.970 119.914 -0.066 0.000 2.668 146 V HA 0.500 4.621 4.120 0.001 0.000 0.304 146 V C -0.625 175.447 176.094 -0.037 0.000 1.071 146 V CA -0.588 61.691 62.300 -0.035 0.000 0.894 146 V CB 1.416 33.248 31.823 0.015 0.000 1.008 146 V HN 0.672 nan 8.190 nan 0.000 0.425 147 V N 2.979 122.875 119.914 -0.030 0.000 2.604 147 V HA 0.680 4.800 4.120 0.001 0.000 0.305 147 V C 0.099 176.294 176.094 0.168 0.000 1.043 147 V CA -0.172 62.123 62.300 -0.008 0.000 0.888 147 V CB 2.382 34.096 31.823 -0.182 0.000 0.995 147 V HN 0.987 nan 8.190 nan 0.000 0.429 148 T N 2.654 117.312 114.554 0.174 0.000 2.912 148 T HA 0.901 5.252 4.350 0.001 0.000 0.288 148 T C 0.087 174.918 174.700 0.218 0.000 1.030 148 T CA 0.127 62.383 62.100 0.259 0.000 1.020 148 T CB 1.749 70.755 68.868 0.230 0.000 1.056 148 T HN 1.400 nan 8.240 nan 0.000 0.480 149 G N 0.710 109.630 108.800 0.199 0.000 2.359 149 G HA2 0.130 4.091 3.960 0.001 0.000 0.314 149 G HA3 0.130 4.091 3.960 0.001 0.000 0.314 149 G C -1.258 173.679 174.900 0.063 0.000 1.364 149 G CA -1.057 44.117 45.100 0.124 0.000 0.978 149 G HN 0.939 nan 8.290 nan 0.000 0.615 150 H N 0.598 119.614 119.070 -0.091 0.000 2.771 150 H HA 0.126 4.683 4.556 0.000 0.000 0.364 150 H C 1.605 176.829 175.328 -0.173 0.000 1.133 150 H CA 0.619 56.548 56.048 -0.199 0.000 1.423 150 H CB 0.518 30.118 29.762 -0.270 0.000 1.425 150 H HN 0.729 nan 8.280 nan 0.000 0.606 151 W N 3.649 124.379 121.300 -0.950 0.000 2.519 151 W HA -0.048 4.612 4.660 0.000 0.000 0.266 151 W C 0.433 176.829 176.519 -0.206 0.000 1.253 151 W CA 0.103 57.122 57.345 -0.543 0.000 1.274 151 W CB -0.169 28.862 29.460 -0.715 0.000 1.114 151 W HN 0.566 nan 8.180 nan 0.000 0.596 152 Q N 1.445 120.596 119.800 -1.082 0.000 2.242 152 Q HA 0.017 4.358 4.340 0.001 0.000 0.246 152 Q C -0.966 174.844 176.000 -0.317 0.000 0.883 152 Q CA -0.116 55.228 55.803 -0.765 0.000 0.984 152 Q CB -0.142 27.927 28.738 -1.115 0.000 1.096 152 Q HN -0.054 nan 8.270 nan 0.000 0.452 153 D N -0.450 119.732 120.400 -0.362 0.000 2.453 153 D HA 0.202 4.843 4.640 0.001 0.000 0.238 153 D C 0.900 176.851 176.300 -0.581 0.000 1.088 153 D CA -0.016 53.797 54.000 -0.311 0.000 0.854 153 D CB 1.176 41.877 40.800 -0.165 0.000 1.076 153 D HN 0.084 nan 8.370 nan 0.000 0.533 154 K N 2.811 123.004 120.400 -0.344 0.000 2.160 154 K HA -0.260 4.061 4.320 0.001 0.000 0.206 154 K C 1.845 178.353 176.600 -0.153 0.000 1.047 154 K CA 2.072 58.252 56.287 -0.178 0.000 0.930 154 K CB -0.826 31.686 32.500 0.021 0.000 0.720 154 K HN 0.583 nan 8.250 nan 0.000 0.450 155 Q N -0.677 119.042 119.800 -0.135 0.000 2.061 155 Q HA 0.008 4.348 4.340 0.001 0.000 0.204 155 Q C 2.578 178.526 176.000 -0.085 0.000 0.984 155 Q CA 1.990 57.748 55.803 -0.074 0.000 0.846 155 Q CB -0.346 28.362 28.738 -0.050 0.000 0.902 155 Q HN 0.681 nan 8.270 nan 0.000 0.421 156 A N -0.107 122.623 122.820 -0.149 0.000 1.902 156 A HA -0.258 4.063 4.320 0.001 0.000 0.217 156 A C 1.611 179.124 177.584 -0.118 0.000 1.181 156 A CA 1.838 53.789 52.037 -0.144 0.000 0.623 156 A CB -0.965 17.986 19.000 -0.082 0.000 0.818 156 A HN 0.555 nan 8.150 nan 0.000 0.443 157 H N -1.239 117.816 119.070 -0.026 0.000 2.289 157 H HA -0.180 4.376 4.556 0.001 0.000 0.296 157 H C 2.248 177.568 175.328 -0.013 0.000 1.091 157 H CA 1.452 57.491 56.048 -0.015 0.000 1.274 157 H CB -0.021 29.752 29.762 0.017 0.000 1.364 157 H HN 0.600 nan 8.280 nan 0.000 0.490 158 E N 1.334 121.601 120.200 0.113 0.000 2.033 158 E HA -0.205 4.146 4.350 0.001 0.000 0.199 158 E C 2.257 178.889 176.600 0.055 0.000 1.011 158 E CA 1.569 58.010 56.400 0.067 0.000 0.815 158 E CB 0.004 29.727 29.700 0.039 0.000 0.755 158 E HN 0.328 nan 8.360 nan 0.000 0.451 159 R N -0.252 120.263 120.500 0.025 0.000 2.096 159 R HA -0.051 4.289 4.340 0.001 0.000 0.235 159 R C 2.622 178.950 176.300 0.047 0.000 1.127 159 R CA 1.449 57.566 56.100 0.028 0.000 0.968 159 R CB -0.422 29.873 30.300 -0.008 0.000 0.861 159 R HN 0.299 nan 8.270 nan 0.000 0.440 160 I N 0.086 120.649 120.570 -0.013 0.000 2.113 160 I HA -0.201 3.969 4.170 0.001 0.000 0.238 160 I C 2.618 178.845 176.117 0.184 0.000 1.070 160 I CA 1.590 62.897 61.300 0.012 0.000 1.332 160 I CB -0.847 37.067 38.000 -0.142 0.000 1.044 160 I HN 0.308 nan 8.210 nan 0.000 0.402 161 G N -0.335 108.547 108.800 0.137 0.000 2.505 161 G HA2 -0.370 3.590 3.960 0.001 0.000 0.220 161 G HA3 -0.370 3.590 3.960 0.001 0.000 0.220 161 G C 1.780 176.771 174.900 0.151 0.000 1.145 161 G CA 1.367 46.551 45.100 0.140 0.000 0.761 161 G HN 0.398 nan 8.290 nan 0.000 0.571 162 S N -0.738 115.047 115.700 0.142 0.000 2.382 162 S HA -0.143 4.328 4.470 0.001 0.000 0.228 162 S C 1.917 176.631 174.600 0.191 0.000 1.027 162 S CA 1.633 59.917 58.200 0.139 0.000 0.991 162 S CB -0.344 62.927 63.200 0.117 0.000 0.823 162 S HN 0.666 nan 8.310 nan 0.000 0.469 163 W N 1.493 122.820 121.300 0.044 0.000 2.409 163 W HA 0.021 4.681 4.660 0.001 0.000 0.299 163 W C 2.004 178.558 176.519 0.058 0.000 1.203 163 W CA 1.202 58.575 57.345 0.046 0.000 1.298 163 W CB -0.407 29.066 29.460 0.022 0.000 1.127 163 W HN 0.224 nan 8.180 nan 0.000 0.528 164 M N 0.682 120.345 119.600 0.105 0.000 2.108 164 M HA -0.300 4.181 4.480 0.001 0.000 0.257 164 M C 2.185 178.421 176.300 -0.108 0.000 1.071 164 M CA 2.115 57.348 55.300 -0.112 0.000 1.093 164 M CB -0.684 32.009 32.600 0.155 0.000 1.345 164 M HN 0.015 nan 8.290 nan 0.000 0.403 165 R N -0.141 120.395 120.500 0.061 0.000 2.080 165 R HA -0.166 4.174 4.340 0.001 0.000 0.236 165 R C 2.331 178.643 176.300 0.019 0.000 1.137 165 R CA 1.365 57.575 56.100 0.183 0.000 0.943 165 R CB -0.441 29.962 30.300 0.171 0.000 0.846 165 R HN 0.457 nan 8.270 nan 0.000 0.431 166 Q N 0.110 119.873 119.800 -0.062 0.000 2.124 166 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 166 Q C 2.158 177.996 176.000 -0.270 0.000 0.977 166 Q CA 1.669 57.423 55.803 -0.082 0.000 0.850 166 Q CB -0.383 28.323 28.738 -0.053 0.000 0.901 166 Q HN 0.359 nan 8.270 nan 0.000 0.429 167 A N 0.511 123.004 122.820 -0.545 0.000 1.883 167 A HA -0.143 4.177 4.320 0.001 0.000 0.217 167 A C 2.452 179.738 177.584 -0.497 0.000 1.186 167 A CA 1.804 53.454 52.037 -0.644 0.000 0.624 167 A CB -0.704 17.705 19.000 -0.985 0.000 0.822 167 A HN 0.219 nan 8.150 nan 0.000 0.444 168 V N -0.707 118.907 119.914 -0.501 0.000 2.427 168 V HA -0.180 3.941 4.120 0.001 0.000 0.248 168 V C 2.729 178.476 176.094 -0.578 0.000 1.051 168 V CA 2.108 63.976 62.300 -0.721 0.000 1.048 168 V CB -0.817 30.499 31.823 -0.846 0.000 0.666 168 V HN 0.627 nan 8.190 nan 0.000 0.456 169 S N -0.196 115.307 115.700 -0.328 0.000 2.353 169 S HA -0.319 4.151 4.470 0.001 0.000 0.222 169 S C 2.153 176.718 174.600 -0.058 0.000 1.035 169 S CA 2.390 60.514 58.200 -0.127 0.000 1.025 169 S CB -0.308 62.923 63.200 0.051 0.000 0.902 169 S HN 0.630 nan 8.310 nan 0.000 0.440 170 K N 0.095 120.454 120.400 -0.068 0.000 2.074 170 K HA -0.178 4.142 4.320 0.001 0.000 0.209 170 K C 2.272 178.818 176.600 -0.090 0.000 1.048 170 K CA 1.628 57.892 56.287 -0.038 0.000 0.926 170 K CB -0.180 32.207 32.500 -0.188 0.000 0.713 170 K HN 0.245 nan 8.250 nan 0.000 0.444 171 Q N 1.103 120.768 119.800 -0.224 0.000 2.020 171 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 171 Q C 1.889 177.898 176.000 0.016 0.000 0.982 171 Q CA 1.734 57.436 55.803 -0.168 0.000 0.838 171 Q CB -0.690 27.792 28.738 -0.427 0.000 0.899 171 Q HN 0.533 nan 8.270 nan 0.000 0.423 172 D N -0.340 120.032 120.400 -0.046 0.000 2.144 172 D HA -0.125 4.515 4.640 0.001 0.000 0.199 172 D C 1.223 177.555 176.300 0.052 0.000 0.984 172 D CA 1.624 55.662 54.000 0.063 0.000 0.834 172 D CB 0.369 41.154 40.800 -0.024 0.000 0.955 172 D HN 0.259 nan 8.370 nan 0.000 0.465 173 T N 0.303 114.892 114.554 0.058 0.000 2.759 173 T HA -0.190 4.161 4.350 0.001 0.000 0.269 173 T C 2.013 176.789 174.700 0.127 0.000 1.042 173 T CA 1.090 63.273 62.100 0.138 0.000 1.140 173 T CB -0.248 68.771 68.868 0.252 0.000 0.864 173 T HN 0.079 nan 8.240 nan 0.000 0.455 174 R N 0.357 120.872 120.500 0.024 0.000 2.285 174 R HA -0.019 4.322 4.340 0.001 0.000 0.213 174 R C 1.159 177.309 176.300 -0.250 0.000 1.068 174 R CA 1.110 57.138 56.100 -0.120 0.000 1.004 174 R CB -0.235 29.928 30.300 -0.229 0.000 0.873 174 R HN 0.581 nan 8.270 nan 0.000 0.467 175 H N -1.635 117.454 119.070 0.032 0.000 2.672 175 H HA 0.224 4.781 4.556 0.001 0.000 0.277 175 H C -0.554 174.768 175.328 -0.009 0.000 1.074 175 H CA -0.434 55.623 56.048 0.016 0.000 1.173 175 H CB 0.573 30.332 29.762 -0.005 0.000 1.558 175 H HN 0.032 nan 8.280 nan 0.000 0.539 176 L N 1.961 123.243 121.223 0.098 0.000 2.360 176 L HA 0.185 4.525 4.340 0.001 0.000 0.276 176 L C -0.232 176.829 176.870 0.319 0.000 1.121 176 L CA -0.049 54.854 54.840 0.105 0.000 0.845 176 L CB 0.390 42.525 42.059 0.127 0.000 1.143 176 L HN 0.080 nan 8.230 nan 0.000 0.452 177 K N 3.941 124.643 120.400 0.502 0.000 2.413 177 K HA 0.502 4.822 4.320 0.001 0.000 0.257 177 K C -1.361 175.586 176.600 0.578 0.000 0.946 177 K CA -0.653 55.911 56.287 0.460 0.000 0.823 177 K CB 1.726 34.427 32.500 0.336 0.000 1.109 177 K HN 0.386 nan 8.250 nan 0.000 0.427 178 V N 3.271 123.453 119.914 0.447 0.000 2.612 178 V HA 0.361 4.481 4.120 0.001 0.000 0.301 178 V C -0.306 175.889 176.094 0.169 0.000 1.046 178 V CA -0.990 61.503 62.300 0.323 0.000 0.946 178 V CB 1.495 33.443 31.823 0.209 0.000 1.003 178 V HN 0.898 nan 8.190 nan 0.000 0.459 179 C N 5.239 124.486 119.300 -0.088 0.000 2.351 179 C HA 0.660 5.120 4.460 0.001 0.000 0.326 179 C C 0.082 174.843 174.990 -0.383 0.000 1.272 179 C CA -0.673 58.040 59.018 -0.508 0.000 1.650 179 C CB 0.510 27.607 27.740 -1.072 0.000 2.257 179 C HN 0.972 nan 8.230 nan 0.000 0.505 180 R N 4.166 124.417 120.500 -0.414 0.000 2.310 180 R HA 0.466 4.807 4.340 0.001 0.000 0.324 180 R C -1.494 174.589 176.300 -0.362 0.000 0.955 180 R CA -0.148 55.776 56.100 -0.292 0.000 0.830 180 R CB 1.010 31.216 30.300 -0.157 0.000 1.154 180 R HN 0.697 nan 8.270 nan 0.000 0.458 181 F N 2.501 122.517 119.950 0.110 0.000 2.313 181 F HA 0.401 4.928 4.527 0.001 0.000 0.369 181 F C 1.209 177.046 175.800 0.062 0.000 1.109 181 F CA -0.215 57.832 58.000 0.079 0.000 1.132 181 F CB 1.562 40.596 39.000 0.055 0.000 1.291 181 F HN 0.772 nan 8.300 nan 0.000 0.496 182 G N 2.338 111.249 108.800 0.186 0.000 2.787 182 G HA2 -0.212 3.748 3.960 0.001 0.000 0.685 182 G HA3 -0.212 3.748 3.960 0.001 0.000 0.685 182 G C -0.718 174.221 174.900 0.066 0.000 1.437 182 G CA -0.963 44.202 45.100 0.108 0.000 0.872 182 G HN 0.572 nan 8.290 nan 0.000 0.566 183 D N -0.019 120.407 120.400 0.043 0.000 2.325 183 D HA 0.285 4.925 4.640 0.001 0.000 0.262 183 D C 1.310 177.636 176.300 0.044 0.000 1.263 183 D CA -0.085 53.938 54.000 0.039 0.000 1.020 183 D CB 0.136 40.954 40.800 0.029 0.000 1.117 183 D HN 0.540 nan 8.370 nan 0.000 0.545 184 N N -0.173 118.563 118.700 0.061 0.000 2.444 184 N HA 0.079 4.819 4.740 0.001 0.000 0.255 184 N C 0.136 175.635 175.510 -0.018 0.000 1.255 184 N CA -0.112 52.964 53.050 0.043 0.000 0.933 184 N CB 0.215 38.745 38.487 0.073 0.000 1.143 184 N HN 0.379 nan 8.380 nan 0.000 0.453 185 M N 1.600 121.160 119.600 -0.067 0.000 2.248 185 M HA -0.023 4.457 4.480 0.001 0.000 0.343 185 M C 0.830 177.111 176.300 -0.031 0.000 1.243 185 M CA 0.251 55.477 55.300 -0.123 0.000 1.025 185 M CB 0.211 32.732 32.600 -0.132 0.000 1.759 185 M HN 0.716 nan 8.290 nan 0.000 0.452 186 R N 3.048 123.537 120.500 -0.018 0.000 2.641 186 R HA 0.129 4.469 4.340 0.001 0.000 0.269 186 R C 0.841 177.157 176.300 0.027 0.000 1.074 186 R CA 0.401 56.510 56.100 0.014 0.000 1.133 186 R CB -0.214 30.099 30.300 0.023 0.000 1.029 186 R HN 0.890 nan 8.270 nan 0.000 0.488 187 E N -1.742 118.475 120.200 0.028 0.000 3.912 187 E HA -0.175 4.175 4.350 0.001 0.000 0.335 187 E C 0.410 177.026 176.600 0.027 0.000 0.654 187 E CA 1.461 57.878 56.400 0.028 0.000 1.177 187 E CB -2.636 27.083 29.700 0.031 0.000 1.650 187 E HN 0.637 nan 8.360 nan 0.000 0.430 188 V N -0.196 119.735 119.914 0.029 0.000 3.237 188 V HA 0.401 4.521 4.120 0.001 0.000 0.305 188 V C 1.508 177.617 176.094 0.025 0.000 1.096 188 V CA 0.944 63.261 62.300 0.027 0.000 1.130 188 V CB 1.452 33.298 31.823 0.038 0.000 1.048 188 V HN 0.324 nan 8.190 nan 0.000 0.484 189 A N 1.416 124.248 122.820 0.020 0.000 1.917 189 A HA 0.188 4.508 4.320 0.001 0.000 0.200 189 A C 1.646 179.232 177.584 0.004 0.000 1.671 189 A CA 0.946 52.993 52.037 0.017 0.000 1.034 189 A CB -0.270 18.739 19.000 0.015 0.000 1.057 189 A HN 0.650 nan 8.150 nan 0.000 0.507 190 V N 1.379 121.294 119.914 0.002 0.000 2.469 190 V HA -0.196 3.925 4.120 0.001 0.000 0.251 190 V C 2.713 178.754 176.094 -0.089 0.000 1.064 190 V CA 3.217 65.502 62.300 -0.024 0.000 1.066 190 V CB -0.502 31.329 31.823 0.013 0.000 0.667 190 V HN 0.788 nan 8.190 nan 0.000 0.461 191 T N -2.195 112.306 114.554 -0.088 0.000 2.951 191 T HA -0.092 4.258 4.350 0.001 0.000 0.268 191 T C 1.055 175.642 174.700 -0.188 0.000 1.073 191 T CA 0.942 62.942 62.100 -0.168 0.000 1.134 191 T CB -0.368 68.448 68.868 -0.086 0.000 0.884 191 T HN 0.563 nan 8.240 nan 0.000 0.479 192 D N 0.563 120.942 120.400 -0.035 0.000 2.393 192 D HA 0.566 5.207 4.640 0.001 0.000 0.246 192 D C 0.494 176.860 176.300 0.111 0.000 1.275 192 D CA 1.101 55.164 54.000 0.105 0.000 0.979 192 D CB 1.116 41.980 40.800 0.107 0.000 1.101 192 D HN 0.657 nan 8.370 nan 0.000 0.505 193 G N 0.130 109.121 108.800 0.318 0.000 2.352 193 G HA2 0.086 4.046 3.960 0.001 0.000 0.302 193 G HA3 0.086 4.046 3.960 0.001 0.000 0.302 193 G C -1.533 173.670 174.900 0.505 0.000 1.370 193 G CA -0.719 44.600 45.100 0.366 0.000 0.918 193 G HN 0.426 nan 8.290 nan 0.000 0.610 194 D N -0.039 120.588 120.400 0.379 0.000 2.312 194 D HA 0.334 4.975 4.640 0.001 0.000 0.252 194 D C 1.117 177.571 176.300 0.256 0.000 1.150 194 D CA -0.205 53.941 54.000 0.244 0.000 0.870 194 D CB 1.564 42.456 40.800 0.153 0.000 1.153 194 D HN 0.403 nan 8.370 nan 0.000 0.457 195 K N 2.088 122.457 120.400 -0.052 0.000 2.166 195 K HA 0.005 4.326 4.320 0.001 0.000 0.201 195 K C 1.919 178.418 176.600 -0.169 0.000 1.052 195 K CA 0.212 56.285 56.287 -0.357 0.000 0.969 195 K CB 0.302 32.428 32.500 -0.623 0.000 0.761 195 K HN 0.240 nan 8.250 nan 0.000 0.459 196 V N 1.934 121.794 119.914 -0.091 0.000 2.282 196 V HA -0.319 3.801 4.120 0.001 0.000 0.249 196 V C 2.412 178.502 176.094 -0.007 0.000 1.057 196 V CA 2.225 64.492 62.300 -0.054 0.000 1.032 196 V CB -0.721 31.082 31.823 -0.032 0.000 0.645 196 V HN 0.349 nan 8.190 nan 0.000 0.447 197 A N -0.141 122.724 122.820 0.074 0.000 1.892 197 A HA -0.205 4.116 4.320 0.001 0.000 0.218 197 A C 2.405 180.106 177.584 0.195 0.000 1.188 197 A CA 2.467 54.608 52.037 0.173 0.000 0.631 197 A CB -0.841 18.329 19.000 0.283 0.000 0.822 197 A HN 0.627 nan 8.150 nan 0.000 0.447 198 A N -1.347 121.577 122.820 0.174 0.000 1.930 198 A HA -0.152 4.169 4.320 0.001 0.000 0.217 198 A C 2.180 179.598 177.584 -0.278 0.000 1.175 198 A CA 1.689 53.723 52.037 -0.004 0.000 0.627 198 A CB -0.465 18.541 19.000 0.011 0.000 0.815 198 A HN 0.665 nan 8.150 nan 0.000 0.443 199 Q N -0.384 119.263 119.800 -0.255 0.000 2.049 199 Q HA -0.091 4.250 4.340 0.001 0.000 0.198 199 Q C 1.970 177.878 176.000 -0.153 0.000 0.971 199 Q CA 1.329 56.984 55.803 -0.247 0.000 0.833 199 Q CB -0.230 28.408 28.738 -0.166 0.000 0.896 199 Q HN 0.693 nan 8.270 nan 0.000 0.434 200 I N 0.801 121.311 120.570 -0.101 0.000 2.068 200 I HA -0.379 3.791 4.170 0.001 0.000 0.238 200 I C 2.479 178.519 176.117 -0.128 0.000 1.046 200 I CA 1.619 62.868 61.300 -0.084 0.000 1.306 200 I CB -0.360 37.613 38.000 -0.045 0.000 1.023 200 I HN 0.164 nan 8.210 nan 0.000 0.399 201 K N 0.793 121.096 120.400 -0.162 0.000 1.978 201 K HA -0.167 4.153 4.320 0.001 0.000 0.214 201 K C 1.712 178.033 176.600 -0.465 0.000 1.049 201 K CA 2.203 58.261 56.287 -0.383 0.000 0.939 201 K CB -0.371 31.766 32.500 -0.604 0.000 0.721 201 K HN 0.252 nan 8.250 nan 0.000 0.441 202 F N -2.430 117.408 119.950 -0.186 0.000 2.500 202 F HA 0.291 4.819 4.527 0.000 0.000 0.285 202 F C 1.440 177.176 175.800 -0.107 0.000 1.088 202 F CA 0.362 58.305 58.000 -0.094 0.000 1.432 202 F CB 0.493 39.419 39.000 -0.123 0.000 1.131 202 F HN 0.279 nan 8.300 nan 0.000 0.582 203 G N 1.057 109.819 108.800 -0.064 0.000 2.131 203 G HA2 -0.253 3.707 3.960 0.001 0.000 0.201 203 G HA3 -0.253 3.707 3.960 0.001 0.000 0.201 203 G C -0.009 174.894 174.900 0.005 0.000 1.000 203 G CA -0.141 44.919 45.100 -0.067 0.000 0.680 203 G HN 0.363 nan 8.290 nan 0.000 0.514 204 F N 0.813 120.817 119.950 0.090 0.000 2.394 204 F HA 0.856 5.383 4.527 0.000 0.000 0.340 204 F C 0.384 176.218 175.800 0.056 0.000 1.105 204 F CA -0.869 57.174 58.000 0.073 0.000 1.124 204 F CB 1.578 40.622 39.000 0.073 0.000 1.145 204 F HN 0.095 nan 8.300 nan 0.000 0.505 205 S N 2.205 118.058 115.700 0.255 0.000 2.646 205 S HA 0.856 5.326 4.470 0.001 0.000 0.276 205 S C -0.523 174.201 174.600 0.207 0.000 1.222 205 S CA -0.086 58.202 58.200 0.147 0.000 1.014 205 S CB 1.272 64.545 63.200 0.122 0.000 0.991 205 S HN 1.445 nan 8.310 nan 0.000 0.533 206 V N 2.951 122.897 119.914 0.053 0.000 2.671 206 V HA 0.587 4.708 4.120 0.001 0.000 0.292 206 V C -0.948 175.059 176.094 -0.145 0.000 1.115 206 V CA -0.872 61.424 62.300 -0.006 0.000 0.918 206 V CB 1.269 33.056 31.823 -0.060 0.000 1.036 206 V HN 0.901 nan 8.190 nan 0.000 0.445 207 N N 2.701 121.324 118.700 -0.128 0.000 2.321 207 N HA 0.879 5.619 4.740 0.001 0.000 0.290 207 N C -0.119 175.145 175.510 -0.409 0.000 1.212 207 N CA -0.005 52.882 53.050 -0.273 0.000 0.767 207 N CB 2.073 40.388 38.487 -0.286 0.000 1.494 207 N HN 0.943 nan 8.380 nan 0.000 0.479 208 T N 0.190 114.462 114.554 -0.471 0.000 2.733 208 T HA 0.373 4.723 4.350 0.001 0.000 0.294 208 T C -0.962 173.456 174.700 -0.471 0.000 0.956 208 T CA -0.174 61.700 62.100 -0.377 0.000 0.987 208 T CB -0.130 nan 68.868 nan 0.000 0.920 208 T HN 0.356 nan 8.240 nan 0.000 0.470 209 W N 2.302 123.591 121.300 -0.019 0.000 2.570 209 W HA 0.588 5.249 4.660 0.001 0.000 0.337 209 W C 0.541 177.128 176.519 0.112 0.000 1.067 209 W CA -1.203 56.186 57.345 0.073 0.000 1.229 209 W CB 1.558 31.104 29.460 0.145 0.000 1.355 209 W HN 0.857 nan 8.180 nan 0.000 0.555 210 A N 1.312 124.404 122.820 0.454 0.000 2.466 210 A HA 0.380 4.700 4.320 0.001 0.000 0.238 210 A C 1.239 178.965 177.584 0.237 0.000 1.074 210 A CA 0.396 52.595 52.037 0.270 0.000 0.774 210 A CB 0.023 19.152 19.000 0.216 0.000 1.015 210 A HN 1.162 nan 8.150 nan 0.000 0.498 211 V N 2.082 122.089 119.914 0.154 0.000 2.392 211 V HA -0.090 4.030 4.120 0.001 0.000 0.249 211 V C 2.194 178.297 176.094 0.016 0.000 1.059 211 V CA 3.115 65.456 62.300 0.068 0.000 1.051 211 V CB -1.360 nan 31.823 nan 0.000 0.658 211 V HN 1.144 nan 8.190 nan 0.000 0.455 212 G N -0.808 108.022 108.800 0.050 0.000 2.708 212 G HA2 -0.072 3.888 3.960 0.001 0.000 0.210 212 G HA3 -0.072 3.888 3.960 0.001 0.000 0.210 212 G C 0.999 175.914 174.900 0.025 0.000 1.141 212 G CA 0.912 46.031 45.100 0.031 0.000 0.788 212 G HN 0.638 nan 8.290 nan 0.000 0.531 213 D N -0.224 120.196 120.400 0.033 0.000 2.369 213 D HA 0.122 4.762 4.640 0.001 0.000 0.231 213 D C 2.810 179.040 176.300 -0.117 0.000 0.967 213 D CA 0.829 54.839 54.000 0.017 0.000 0.905 213 D CB -0.516 40.346 40.800 0.104 0.000 1.044 213 D HN 0.179 nan 8.370 nan 0.000 0.487 214 L N 0.681 121.724 121.223 -0.301 0.000 2.291 214 L HA 0.046 4.386 4.340 0.001 0.000 0.214 214 L C 2.576 179.266 176.870 -0.300 0.000 1.120 214 L CA 1.034 55.559 54.840 -0.527 0.000 0.799 214 L CB -1.471 40.056 42.059 -0.887 0.000 0.925 214 L HN 0.012 nan 8.230 nan 0.000 0.446 215 V N -0.584 119.215 119.914 -0.191 0.000 2.252 215 V HA -0.415 3.705 4.120 0.001 0.000 0.249 215 V C 2.811 178.851 176.094 -0.089 0.000 1.056 215 V CA 2.593 64.822 62.300 -0.119 0.000 1.022 215 V CB -0.648 31.134 31.823 -0.068 0.000 0.641 215 V HN 0.792 nan 8.190 nan 0.000 0.445 216 Q N -0.907 118.855 119.800 -0.063 0.000 2.084 216 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 216 Q C 2.346 178.324 176.000 -0.036 0.000 0.978 216 Q CA 2.063 57.845 55.803 -0.035 0.000 0.844 216 Q CB -0.546 28.186 28.738 -0.010 0.000 0.898 216 Q HN 0.723 nan 8.270 nan 0.000 0.426 217 V N 0.025 119.912 119.914 -0.045 0.000 2.469 217 V HA -0.195 3.926 4.120 0.001 0.000 0.251 217 V C 2.213 178.266 176.094 -0.067 0.000 1.064 217 V CA 2.120 64.402 62.300 -0.031 0.000 1.066 217 V CB -0.470 nan 31.823 nan 0.000 0.667 217 V HN 0.091 nan 8.190 nan 0.000 0.461 218 V N -0.108 119.743 119.914 -0.104 0.000 2.825 218 V HA -0.081 4.039 4.120 0.001 0.000 0.246 218 V C 2.332 178.386 176.094 -0.067 0.000 1.068 218 V CA 1.527 63.767 62.300 -0.099 0.000 1.088 218 V CB -0.233 31.510 31.823 -0.134 0.000 0.733 218 V HN 0.721 nan 8.190 nan 0.000 0.468 219 N N 1.189 119.854 118.700 -0.059 0.000 2.109 219 N HA -0.072 4.668 4.740 0.001 0.000 0.188 219 N C 1.208 176.698 175.510 -0.033 0.000 1.034 219 N CA 1.435 54.460 53.050 -0.042 0.000 0.846 219 N CB -0.312 38.153 38.487 -0.036 0.000 1.010 219 N HN 0.530 nan 8.380 nan 0.000 0.425 220 S N 1.106 116.788 115.700 -0.029 0.000 2.681 220 S HA 0.502 4.972 4.470 0.001 0.000 0.313 220 S C 0.120 174.705 174.600 -0.024 0.000 1.137 220 S CA -0.678 57.509 58.200 -0.023 0.000 1.045 220 S CB -0.572 62.618 63.200 -0.017 0.000 1.208 220 S HN 0.328 nan 8.310 nan 0.000 0.523 221 I N 0.441 120.996 120.570 -0.026 0.000 2.842 221 I HA 0.463 4.633 4.170 0.001 0.000 0.296 221 I C -0.469 175.632 176.117 -0.026 0.000 1.538 221 I CA -0.572 60.712 61.300 -0.027 0.000 0.994 221 I CB 1.573 39.553 38.000 -0.033 0.000 1.372 221 I HN 0.562 nan 8.210 nan 0.000 0.478 222 S N 3.365 119.050 115.700 -0.026 0.000 2.573 222 S HA 0.109 4.579 4.470 0.001 0.000 0.277 222 S C 0.395 174.979 174.600 -0.027 0.000 1.346 222 S CA 0.604 58.789 58.200 -0.025 0.000 1.034 222 S CB 0.822 64.007 63.200 -0.025 0.000 0.879 222 S HN 0.713 nan 8.310 nan 0.000 0.528 223 D N 2.917 123.302 120.400 -0.024 0.000 2.249 223 D HA 0.144 4.784 4.640 0.001 0.000 0.205 223 D C 2.020 178.304 176.300 -0.026 0.000 0.962 223 D CA 1.161 55.147 54.000 -0.024 0.000 0.860 223 D CB -0.688 40.099 40.800 -0.020 0.000 0.955 223 D HN 0.680 nan 8.370 nan 0.000 0.505 224 G N 0.780 109.564 108.800 -0.026 0.000 2.408 224 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 224 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 224 G C 1.166 176.044 174.900 -0.037 0.000 1.150 224 G CA 0.528 45.610 45.100 -0.029 0.000 0.776 224 G HN 0.097 nan 8.290 nan 0.000 0.542 225 D N 0.226 120.603 120.400 -0.039 0.000 2.178 225 D HA -0.079 4.561 4.640 0.001 0.000 0.201 225 D C 2.669 178.932 176.300 -0.062 0.000 0.980 225 D CA 0.471 54.442 54.000 -0.049 0.000 0.842 225 D CB -0.192 40.581 40.800 -0.044 0.000 0.948 225 D HN 0.227 nan 8.370 nan 0.000 0.472 226 V N 1.070 120.954 119.914 -0.050 0.000 2.307 226 V HA -0.214 3.906 4.120 0.001 0.000 0.245 226 V C 2.080 178.139 176.094 -0.059 0.000 1.045 226 V CA 1.450 63.720 62.300 -0.050 0.000 1.024 226 V CB -0.454 31.352 31.823 -0.027 0.000 0.651 226 V HN 0.184 nan 8.190 nan 0.000 0.449 227 N N 0.505 119.178 118.700 -0.045 0.000 2.149 227 N HA -0.143 4.597 4.740 0.001 0.000 0.188 227 N C 1.905 177.377 175.510 -0.063 0.000 1.019 227 N CA 1.669 54.694 53.050 -0.042 0.000 0.857 227 N CB -0.544 37.925 38.487 -0.030 0.000 0.997 227 N HN 0.489 nan 8.380 nan 0.000 0.426 228 A N 1.139 123.916 122.820 -0.071 0.000 1.892 228 A HA -0.114 4.206 4.320 0.001 0.000 0.218 228 A C 2.737 180.238 177.584 -0.138 0.000 1.188 228 A CA 2.406 54.393 52.037 -0.084 0.000 0.631 228 A CB -1.183 17.772 19.000 -0.074 0.000 0.822 228 A HN 0.280 nan 8.150 nan 0.000 0.447 229 L N -0.749 120.357 121.223 -0.196 0.000 2.156 229 L HA 0.328 4.668 4.340 0.001 0.000 0.208 229 L C 2.941 179.496 176.870 -0.525 0.000 1.095 229 L CA 2.330 56.935 54.840 -0.392 0.000 0.770 229 L CB -2.071 nan 42.059 nan 0.000 0.914 229 L HN 0.655 nan 8.230 nan 0.000 0.439 230 V N -1.110 118.667 119.914 -0.228 0.000 2.358 230 V HA -0.302 3.819 4.120 0.001 0.000 0.246 230 V C 2.269 178.363 176.094 -0.001 0.000 1.047 230 V CA 2.667 64.947 62.300 -0.032 0.000 1.035 230 V CB -0.776 31.064 31.823 0.029 0.000 0.658 230 V HN 0.578 nan 8.190 nan 0.000 0.452 231 D N 0.400 120.776 120.400 -0.040 0.000 2.104 231 D HA -0.154 4.486 4.640 0.001 0.000 0.194 231 D C 2.292 178.579 176.300 -0.022 0.000 0.994 231 D CA 2.034 56.024 54.000 -0.018 0.000 0.830 231 D CB -0.141 40.643 40.800 -0.028 0.000 0.959 231 D HN 0.714 nan 8.370 nan 0.000 0.452 232 E N 0.617 120.762 120.200 -0.091 0.000 2.160 232 E HA -0.214 4.136 4.350 0.001 0.000 0.195 232 E C 1.879 178.475 176.600 -0.007 0.000 0.991 232 E CA 1.098 57.444 56.400 -0.091 0.000 0.810 232 E CB -1.348 28.243 29.700 -0.181 0.000 0.742 232 E HN 0.573 nan 8.360 nan 0.000 0.466 233 Y N 0.403 120.708 120.300 0.007 0.000 2.109 233 Y HA -0.112 4.438 4.550 0.001 0.000 0.285 233 Y C 2.847 178.756 175.900 0.014 0.000 1.131 233 Y CA 1.107 59.215 58.100 0.012 0.000 1.121 233 Y CB 0.148 38.615 38.460 0.011 0.000 0.987 233 Y HN 0.244 nan 8.280 nan 0.000 0.495 234 E N 0.202 120.510 120.200 0.179 0.000 2.085 234 E HA -0.220 4.131 4.350 0.001 0.000 0.194 234 E C 2.243 178.888 176.600 0.076 0.000 0.994 234 E CA 1.792 58.253 56.400 0.103 0.000 0.801 234 E CB -0.302 29.442 29.700 0.072 0.000 0.743 234 E HN 0.481 nan 8.360 nan 0.000 0.453 235 S N 0.092 115.831 115.700 0.064 0.000 2.419 235 S HA -0.133 4.338 4.470 0.001 0.000 0.233 235 S C 2.165 176.797 174.600 0.052 0.000 1.016 235 S CA 0.912 59.140 58.200 0.045 0.000 0.974 235 S CB -0.430 62.788 63.200 0.029 0.000 0.786 235 S HN 0.212 nan 8.310 nan 0.000 0.492 236 C N 0.655 120.002 119.300 0.079 0.000 6.476 236 C HA 0.384 4.844 4.460 0.001 0.000 0.265 236 C C 1.942 176.977 174.990 0.076 0.000 1.505 236 C CA 0.083 59.150 59.018 0.081 0.000 1.778 236 C CB -1.329 26.482 27.740 0.118 0.000 1.938 236 C HN 0.727 nan 8.230 nan 0.000 0.478 237 Y N -0.057 120.299 120.300 0.093 0.000 2.480 237 Y HA 0.421 4.972 4.550 0.001 0.000 0.338 237 Y C 0.973 176.904 175.900 0.051 0.000 1.220 237 Y CA 0.025 58.166 58.100 0.068 0.000 1.430 237 Y CB -0.999 37.489 38.460 0.047 0.000 1.311 237 Y HN 0.678 nan 8.280 nan 0.000 0.575 238 T N 4.100 118.681 114.554 0.045 0.000 3.474 238 T HA 0.474 4.824 4.350 0.001 0.000 0.270 238 T C 0.141 174.853 174.700 0.021 0.000 1.079 238 T CA -0.259 61.861 62.100 0.033 0.000 1.110 238 T CB -1.137 nan 68.868 nan 0.000 1.087 238 T HN 0.677 nan 8.240 nan 0.000 0.784 239 M N 3.932 123.544 119.600 0.020 0.000 2.143 239 M HA 0.218 4.698 4.480 0.001 0.000 0.348 239 M C 1.064 177.367 176.300 0.007 0.000 1.375 239 M CA -0.691 54.614 55.300 0.008 0.000 1.124 239 M CB 0.749 33.357 32.600 0.013 0.000 1.669 239 M HN 0.667 nan 8.290 nan 0.000 0.469 240 T N 1.257 115.810 114.554 -0.002 0.000 2.926 240 T HA 0.138 4.488 4.350 0.001 0.000 0.307 240 T C -1.916 172.785 174.700 0.003 0.000 1.059 240 T CA -1.424 60.674 62.100 -0.002 0.000 1.122 240 T CB 0.299 69.161 68.868 -0.010 0.000 0.972 240 T HN 0.414 nan 8.240 nan 0.000 0.545 241 P HA -0.206 nan 4.420 nan 0.000 0.219 241 P C 1.440 178.749 177.300 0.015 0.000 1.153 241 P CA 1.804 64.912 63.100 0.013 0.000 0.865 241 P CB -0.315 31.390 31.700 0.009 0.000 0.788 242 A N -1.799 121.024 122.820 0.006 0.000 2.248 242 A HA -0.050 4.270 4.320 0.001 0.000 0.210 242 A C 1.660 179.244 177.584 0.000 0.000 1.174 242 A CA 1.679 53.718 52.037 0.004 0.000 0.750 242 A CB -1.112 17.886 19.000 -0.005 0.000 0.780 242 A HN 0.258 nan 8.150 nan 0.000 0.478 243 T N -1.216 113.339 114.554 0.001 0.000 2.999 243 T HA 0.116 4.466 4.350 0.001 0.000 0.247 243 T C 0.914 175.620 174.700 0.010 0.000 1.012 243 T CA -0.048 62.050 62.100 -0.004 0.000 1.048 243 T CB 0.083 68.942 68.868 -0.016 0.000 1.020 243 T HN 0.554 nan 8.240 nan 0.000 0.478 244 Q N 0.606 120.418 119.800 0.020 0.000 2.471 244 Q HA 0.407 4.747 4.340 0.001 0.000 0.223 244 Q C 0.067 176.087 176.000 0.034 0.000 1.045 244 Q CA -0.339 55.483 55.803 0.031 0.000 0.956 244 Q CB 0.718 29.479 28.738 0.038 0.000 1.249 244 Q HN 0.329 nan 8.270 nan 0.000 0.549 245 I N 1.609 122.198 120.570 0.031 0.000 2.948 245 I HA -0.247 3.923 4.170 0.001 0.000 0.290 245 I C 0.662 176.821 176.117 0.070 0.000 1.226 245 I CA 0.779 62.075 61.300 -0.006 0.000 1.413 245 I CB 0.103 38.074 38.000 -0.047 0.000 1.352 245 I HN 0.827 nan 8.210 nan 0.000 0.597 246 H N 1.185 120.257 119.070 0.003 0.000 4.158 246 H HA -0.148 4.408 4.556 0.001 0.000 0.150 246 H C 0.833 176.160 175.328 -0.001 0.000 0.823 246 H CA 0.828 56.876 56.048 0.001 0.000 1.252 246 H CB -1.530 28.232 29.762 0.001 0.000 0.889 246 H HN 0.786 nan 8.280 nan 0.000 0.437 247 G N -0.041 108.811 108.800 0.087 0.000 2.569 247 G HA2 0.351 4.312 3.960 0.001 0.000 0.249 247 G HA3 0.351 4.312 3.960 0.001 0.000 0.249 247 G C 1.012 175.929 174.900 0.028 0.000 1.216 247 G CA 0.708 45.839 45.100 0.050 0.000 0.845 247 G HN 0.471 nan 8.290 nan 0.000 0.568 248 E N -0.001 120.211 120.200 0.019 0.000 2.118 248 E HA 0.040 4.391 4.350 0.001 0.000 0.195 248 E C 1.715 178.316 176.600 0.001 0.000 0.992 248 E CA 1.944 58.350 56.400 0.009 0.000 0.804 248 E CB -0.604 nan 29.700 nan 0.000 0.741 248 E HN 1.033 nan 8.360 nan 0.000 0.458 249 K N -0.178 120.221 120.400 -0.002 0.000 2.655 249 K HA 0.689 5.009 4.320 0.001 0.000 0.213 249 K C 1.230 177.826 176.600 -0.008 0.000 1.126 249 K CA 0.489 56.771 56.287 -0.008 0.000 1.076 249 K CB -0.281 32.211 32.500 -0.014 0.000 1.644 249 K HN 0.554 nan 8.250 nan 0.000 0.523 250 R N -0.358 120.138 120.500 -0.006 0.000 2.215 250 R HA 0.190 4.530 4.340 0.001 0.000 0.190 250 R C 2.037 178.331 176.300 -0.011 0.000 0.968 250 R CA 1.155 57.251 56.100 -0.007 0.000 1.122 250 R CB -0.655 29.639 30.300 -0.010 0.000 1.151 250 R HN 0.587 nan 8.270 nan 0.000 0.582 251 Q N 1.792 121.582 119.800 -0.017 0.000 2.061 251 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 251 Q C 1.863 177.857 176.000 -0.011 0.000 0.984 251 Q CA 2.315 58.107 55.803 -0.018 0.000 0.846 251 Q CB -0.079 28.647 28.738 -0.020 0.000 0.902 251 Q HN 0.802 nan 8.270 nan 0.000 0.421 252 N N -0.557 118.137 118.700 -0.010 0.000 2.457 252 N HA -0.124 4.617 4.740 0.001 0.000 0.180 252 N C 1.882 177.389 175.510 -0.004 0.000 1.050 252 N CA 1.087 54.132 53.050 -0.008 0.000 0.906 252 N CB -0.414 38.067 38.487 -0.011 0.000 0.968 252 N HN 0.293 nan 8.380 nan 0.000 0.445 253 V N 1.644 121.556 119.914 -0.003 0.000 2.469 253 V HA -0.128 3.993 4.120 0.001 0.000 0.251 253 V C 3.124 179.239 176.094 0.035 0.000 1.064 253 V CA 2.643 64.945 62.300 0.002 0.000 1.066 253 V CB -1.126 nan 31.823 nan 0.000 0.667 253 V HN 0.344 nan 8.190 nan 0.000 0.461 254 L N -1.221 120.023 121.223 0.035 0.000 2.376 254 L HA 0.018 4.359 4.340 0.001 0.000 0.219 254 L C 2.365 179.263 176.870 0.046 0.000 1.133 254 L CA 2.014 56.886 54.840 0.052 0.000 0.816 254 L CB -0.993 nan 42.059 nan 0.000 0.933 254 L HN 0.631 nan 8.230 nan 0.000 0.449 255 E N 0.206 120.420 120.200 0.025 0.000 2.216 255 E HA 0.008 4.359 4.350 0.001 0.000 0.192 255 E C 2.515 179.126 176.600 0.019 0.000 0.988 255 E CA 1.163 57.570 56.400 0.011 0.000 0.834 255 E CB -0.146 29.551 29.700 -0.005 0.000 0.772 255 E HN 0.748 nan 8.360 nan 0.000 0.479 256 A N 1.562 124.402 122.820 0.034 0.000 1.972 256 A HA -0.043 4.277 4.320 0.001 0.000 0.219 256 A C 2.385 180.042 177.584 0.122 0.000 1.169 256 A CA 1.710 53.771 52.037 0.039 0.000 0.635 256 A CB -0.356 18.635 19.000 -0.014 0.000 0.810 256 A HN 0.255 nan 8.150 nan 0.000 0.446 257 A N -0.346 122.600 122.820 0.210 0.000 1.872 257 A HA 0.078 4.399 4.320 0.001 0.000 0.214 257 A C 2.445 180.055 177.584 0.042 0.000 1.187 257 A CA 2.277 54.426 52.037 0.186 0.000 0.614 257 A CB -0.950 18.127 19.000 0.128 0.000 0.826 257 A HN 0.739 nan 8.150 nan 0.000 0.442 258 R N 0.478 120.989 120.500 0.019 0.000 2.303 258 R HA 0.003 4.343 4.340 0.001 0.000 0.225 258 R C 1.798 178.074 176.300 -0.040 0.000 1.114 258 R CA 1.713 57.803 56.100 -0.018 0.000 1.007 258 R CB -1.468 28.821 30.300 -0.018 0.000 0.861 258 R HN 1.053 nan 8.270 nan 0.000 0.471 259 I N -4.289 116.258 120.570 -0.038 0.000 3.081 259 I HA 0.216 4.386 4.170 0.001 0.000 0.274 259 I C 2.207 178.268 176.117 -0.092 0.000 1.178 259 I CA 0.877 62.130 61.300 -0.079 0.000 1.460 259 I CB 0.180 38.131 38.000 -0.082 0.000 1.137 259 I HN 0.281 nan 8.210 nan 0.000 0.443 260 E N 2.090 122.265 120.200 -0.043 0.000 2.072 260 E HA -0.166 4.185 4.350 0.001 0.000 0.191 260 E C 2.417 178.973 176.600 -0.072 0.000 0.985 260 E CA 1.725 58.096 56.400 -0.048 0.000 0.801 260 E CB -0.081 29.642 29.700 0.037 0.000 0.750 260 E HN 0.575 nan 8.360 nan 0.000 0.452 261 L N 0.128 121.316 121.223 -0.058 0.000 2.549 261 L HA 0.126 4.466 4.340 0.001 0.000 0.229 261 L C 2.175 179.005 176.870 -0.067 0.000 1.158 261 L CA 1.948 56.749 54.840 -0.065 0.000 0.842 261 L CB -1.297 nan 42.059 nan 0.000 0.952 261 L HN 0.351 nan 8.230 nan 0.000 0.452 262 G N -2.345 106.405 108.800 -0.085 0.000 2.662 262 G HA2 0.052 4.013 3.960 0.001 0.000 0.207 262 G HA3 0.052 4.013 3.960 0.001 0.000 0.207 262 G C 1.607 176.443 174.900 -0.106 0.000 1.154 262 G CA 0.915 45.961 45.100 -0.091 0.000 0.837 262 G HN 0.371 nan 8.290 nan 0.000 0.580 263 M N 0.609 120.103 119.600 -0.177 0.000 2.180 263 M HA -0.086 4.394 4.480 0.001 0.000 0.260 263 M C 2.575 178.774 176.300 -0.168 0.000 1.071 263 M CA 2.286 57.445 55.300 -0.235 0.000 1.096 263 M CB -0.275 32.123 32.600 -0.336 0.000 1.276 263 M HN 0.256 nan 8.290 nan 0.000 0.426 264 K N -0.172 120.101 120.400 -0.211 0.000 2.127 264 K HA -0.253 4.067 4.320 0.001 0.000 0.212 264 K C 1.975 178.495 176.600 -0.133 0.000 1.050 264 K CA 1.789 57.934 56.287 -0.237 0.000 0.929 264 K CB -0.151 32.251 32.500 -0.163 0.000 0.715 264 K HN 0.276 nan 8.250 nan 0.000 0.457 265 R N -0.619 119.849 120.500 -0.054 0.000 2.075 265 R HA -0.077 4.264 4.340 0.001 0.000 0.226 265 R C 2.341 178.664 176.300 0.038 0.000 1.114 265 R CA 1.408 57.502 56.100 -0.010 0.000 0.972 265 R CB -0.435 29.861 30.300 -0.008 0.000 0.869 265 R HN 0.345 nan 8.270 nan 0.000 0.437 266 F N 2.021 121.928 119.950 -0.072 0.000 2.161 266 F HA -0.241 4.286 4.527 0.000 0.000 0.300 266 F C 2.409 178.254 175.800 0.075 0.000 1.089 266 F CA 1.675 59.665 58.000 -0.017 0.000 1.282 266 F CB -0.290 38.694 39.000 -0.027 0.000 1.010 266 F HN -0.083 nan 8.300 nan 0.000 0.485 267 L N -0.139 121.218 121.223 0.224 0.000 2.109 267 L HA -0.111 4.230 4.340 0.001 0.000 0.207 267 L C 2.200 179.150 176.870 0.133 0.000 1.086 267 L CA 2.319 57.287 54.840 0.214 0.000 0.760 267 L CB -1.544 40.459 42.059 -0.094 0.000 0.910 267 L HN 0.357 nan 8.230 nan 0.000 0.437 268 E N -0.800 119.418 120.200 0.031 0.000 2.028 268 E HA -0.283 4.067 4.350 0.001 0.000 0.191 268 E C 2.281 178.850 176.600 -0.052 0.000 0.988 268 E CA 1.443 57.863 56.400 0.033 0.000 0.799 268 E CB -0.037 29.679 29.700 0.026 0.000 0.755 268 E HN 0.822 nan 8.360 nan 0.000 0.447 269 Q N -0.245 119.499 119.800 -0.094 0.000 2.224 269 Q HA -0.080 4.260 4.340 0.001 0.000 0.203 269 Q C 2.138 177.994 176.000 -0.240 0.000 0.970 269 Q CA 1.068 56.783 55.803 -0.146 0.000 0.865 269 Q CB -0.058 28.599 28.738 -0.135 0.000 0.922 269 Q HN 0.308 nan 8.270 nan 0.000 0.445 270 G N -0.521 108.093 108.800 -0.311 0.000 2.443 270 G HA2 -0.057 3.903 3.960 0.001 0.000 0.219 270 G HA3 -0.057 3.903 3.960 0.001 0.000 0.219 270 G C 0.974 175.448 174.900 -0.710 0.000 1.131 270 G CA 0.588 45.367 45.100 -0.534 0.000 0.775 270 G HN 0.524 nan 8.290 nan 0.000 0.547 271 G N -1.431 107.118 108.800 -0.419 0.000 2.141 271 G HA2 -0.242 3.719 3.960 0.001 0.000 0.242 271 G HA3 -0.242 3.719 3.960 0.001 0.000 0.242 271 G C 0.207 174.815 174.900 -0.486 0.000 0.982 271 G CA -0.012 44.865 45.100 -0.373 0.000 0.662 271 G HN 0.326 nan 8.290 nan 0.000 0.527 272 F N 0.336 120.202 119.950 -0.140 0.000 2.444 272 F HA 0.505 5.032 4.527 0.000 0.000 0.331 272 F C 1.725 177.427 175.800 -0.164 0.000 1.167 272 F CA 0.229 58.193 58.000 -0.060 0.000 1.262 272 F CB 0.578 39.658 39.000 0.133 0.000 1.196 272 F HN 0.148 nan 8.300 nan 0.000 0.583 273 H N 0.532 119.873 119.070 0.452 0.000 3.058 273 H HA 0.645 5.201 4.556 0.001 0.000 0.266 273 H C -0.090 175.449 175.328 0.352 0.000 1.135 273 H CA 0.322 56.529 56.048 0.265 0.000 1.174 273 H CB 0.548 30.385 29.762 0.125 0.000 1.581 273 H HN 0.540 nan 8.280 nan 0.000 0.553 274 A N 1.032 124.195 122.820 0.570 0.000 2.586 274 A HA 0.544 4.864 4.320 0.001 0.000 0.291 274 A C -1.869 176.039 177.584 0.540 0.000 1.062 274 A CA -0.730 51.609 52.037 0.502 0.000 0.666 274 A CB 1.427 20.567 19.000 0.234 0.000 1.281 274 A HN 0.164 nan 8.150 nan 0.000 0.421 275 F N -1.755 118.298 119.950 0.172 0.000 2.773 275 F HA 0.873 5.400 4.527 0.001 0.000 0.314 275 F C -0.415 175.508 175.800 0.205 0.000 1.160 275 F CA -0.114 57.942 58.000 0.094 0.000 0.920 275 F CB 0.969 40.030 39.000 0.102 0.000 1.323 275 F HN 1.244 nan 8.300 nan 0.000 0.457 276 T N -1.637 113.023 114.554 0.177 0.000 2.841 276 T HA 0.805 5.155 4.350 0.001 0.000 0.296 276 T C -1.002 173.931 174.700 0.388 0.000 1.166 276 T CA -0.300 61.880 62.100 0.133 0.000 1.007 276 T CB 1.545 70.407 68.868 -0.010 0.000 1.253 276 T HN 1.576 nan 8.240 nan 0.000 0.511 277 T N -0.142 114.609 114.554 0.329 0.000 2.993 277 T HA 0.592 4.943 4.350 0.001 0.000 0.312 277 T C -1.255 173.550 174.700 0.175 0.000 1.115 277 T CA -0.516 61.781 62.100 0.327 0.000 1.027 277 T CB 1.672 70.754 68.868 0.357 0.000 1.116 277 T HN 0.826 nan 8.240 nan 0.000 0.464 278 T N 5.306 119.923 114.554 0.105 0.000 2.772 278 T HA 0.347 4.697 4.350 0.001 0.000 0.288 278 T C 1.188 175.864 174.700 -0.041 0.000 0.994 278 T CA -0.666 61.395 62.100 -0.065 0.000 0.951 278 T CB 0.457 69.269 68.868 -0.093 0.000 0.933 278 T HN 0.660 nan 8.240 nan 0.000 0.447 279 F N 1.547 121.572 119.950 0.125 0.000 2.269 279 F HA 0.017 4.544 4.527 0.000 0.000 0.301 279 F C 1.929 177.774 175.800 0.076 0.000 1.082 279 F CA 0.727 58.785 58.000 0.097 0.000 1.360 279 F CB -0.572 38.486 39.000 0.096 0.000 1.041 279 F HN 0.605 nan 8.300 nan 0.000 0.512 280 E N 0.528 120.690 120.200 -0.064 0.000 2.267 280 E HA -0.239 4.111 4.350 0.001 0.000 0.197 280 E C -0.171 176.470 176.600 0.069 0.000 0.998 280 E CA 1.105 57.535 56.400 0.051 0.000 0.830 280 E CB -0.126 29.511 29.700 -0.106 0.000 0.751 280 E HN 0.463 nan 8.360 nan 0.000 0.491 281 D N -0.614 119.819 120.400 0.055 0.000 2.358 281 D HA 0.149 4.790 4.640 0.001 0.000 0.253 281 D C -0.891 175.454 176.300 0.075 0.000 1.288 281 D CA -0.299 53.740 54.000 0.066 0.000 0.950 281 D CB 0.765 41.598 40.800 0.055 0.000 1.197 281 D HN 0.066 nan 8.370 nan 0.000 0.550 282 L N 2.997 124.265 121.223 0.076 0.000 3.289 282 L HA 0.287 4.627 4.340 0.001 0.000 0.291 282 L C 2.084 178.971 176.870 0.029 0.000 1.279 282 L CA -0.043 54.830 54.840 0.055 0.000 1.025 282 L CB -0.251 41.857 42.059 0.082 0.000 1.413 282 L HN 0.697 nan 8.230 nan 0.000 0.593 283 H N -0.336 118.752 119.070 0.031 0.000 2.296 283 H HA -0.160 4.396 4.556 0.001 0.000 0.291 283 H C 1.757 177.090 175.328 0.010 0.000 1.074 283 H CA 1.883 57.946 56.048 0.025 0.000 1.176 283 H CB -0.793 28.986 29.762 0.027 0.000 1.357 283 H HN 0.389 nan 8.280 nan 0.000 0.520 284 G N -0.267 108.531 108.800 -0.003 0.000 3.518 284 G HA2 0.455 4.415 3.960 0.001 0.000 0.273 284 G HA3 0.455 4.415 3.960 0.001 0.000 0.273 284 G C -0.340 174.544 174.900 -0.027 0.000 1.199 284 G CA 0.215 45.307 45.100 -0.012 0.000 0.899 284 G HN 0.507 nan 8.290 nan 0.000 0.533 285 L N -1.602 119.603 121.223 -0.029 0.000 2.371 285 L HA 0.489 4.830 4.340 0.001 0.000 0.262 285 L C 0.716 177.567 176.870 -0.031 0.000 1.006 285 L CA -0.770 54.042 54.840 -0.046 0.000 0.818 285 L CB 2.280 44.292 42.059 -0.079 0.000 1.354 285 L HN -0.176 nan 8.230 nan 0.000 0.415 286 K N 1.174 121.552 120.400 -0.037 0.000 2.520 286 K HA 0.512 4.832 4.320 0.001 0.000 0.205 286 K C -0.451 176.137 176.600 -0.020 0.000 1.035 286 K CA 0.459 56.731 56.287 -0.025 0.000 1.188 286 K CB 0.277 32.761 32.500 -0.027 0.000 0.894 286 K HN 0.685 nan 8.250 nan 0.000 0.497 287 Q N -1.671 118.119 119.800 -0.017 0.000 3.195 287 Q HA 0.249 4.589 4.340 0.001 0.000 0.175 287 Q C -1.060 174.938 176.000 -0.002 0.000 1.010 287 Q CA -0.091 55.707 55.803 -0.008 0.000 1.149 287 Q CB -1.178 27.552 28.738 -0.013 0.000 2.015 287 Q HN 0.276 nan 8.270 nan 0.000 0.571 288 L N 1.400 122.636 121.223 0.022 0.000 2.597 288 L HA 0.632 4.972 4.340 0.001 0.000 0.271 288 L C -1.459 175.434 176.870 0.038 0.000 1.157 288 L CA -0.477 54.394 54.840 0.052 0.000 0.928 288 L CB -0.491 41.626 42.059 0.096 0.000 1.216 288 L HN 0.730 nan 8.230 nan 0.000 0.481 289 P HA 0.034 nan 4.420 nan 0.000 0.251 289 P C 1.144 178.446 177.300 0.003 0.000 1.154 289 P CA 1.417 64.508 63.100 -0.014 0.000 0.805 289 P CB 0.329 32.009 31.700 -0.033 0.000 0.759 290 G N 2.400 111.198 108.800 -0.003 0.000 2.808 290 G HA2 -0.012 3.948 3.960 0.001 0.000 0.210 290 G HA3 -0.012 3.948 3.960 0.001 0.000 0.210 290 G C 0.716 175.616 174.900 -0.000 0.000 1.177 290 G CA 0.075 45.182 45.100 0.012 0.000 0.853 290 G HN 0.477 nan 8.290 nan 0.000 0.625 291 L N 0.963 122.179 121.223 -0.013 0.000 2.693 291 L HA 0.587 4.927 4.340 0.001 0.000 0.235 291 L C 2.551 179.435 176.870 0.024 0.000 1.127 291 L CA 1.149 55.990 54.840 0.002 0.000 0.914 291 L CB 0.273 42.300 42.059 -0.053 0.000 1.193 291 L HN 0.203 nan 8.230 nan 0.000 0.502 292 A N -0.340 122.479 122.820 -0.002 0.000 1.933 292 A HA -0.078 4.242 4.320 0.001 0.000 0.218 292 A C 2.163 179.725 177.584 -0.037 0.000 1.175 292 A CA 2.139 54.163 52.037 -0.022 0.000 0.628 292 A CB -1.094 17.864 19.000 -0.070 0.000 0.814 292 A HN 0.392 nan 8.150 nan 0.000 0.444 293 V N -1.578 118.291 119.914 -0.074 0.000 2.878 293 V HA -0.109 4.012 4.120 0.001 0.000 0.250 293 V C 2.188 178.232 176.094 -0.083 0.000 1.075 293 V CA 1.921 64.120 62.300 -0.168 0.000 1.096 293 V CB -0.520 30.882 31.823 -0.702 0.000 0.724 293 V HN 0.538 nan 8.190 nan 0.000 0.467 294 Q N -0.454 119.351 119.800 0.009 0.000 2.083 294 Q HA -0.093 4.247 4.340 0.001 0.000 0.198 294 Q C 2.425 178.499 176.000 0.123 0.000 0.969 294 Q CA 1.385 57.252 55.803 0.107 0.000 0.838 294 Q CB 0.074 28.907 28.738 0.158 0.000 0.900 294 Q HN 0.711 nan 8.270 nan 0.000 0.436 295 R N -0.349 120.219 120.500 0.112 0.000 2.161 295 R HA 0.004 4.345 4.340 0.001 0.000 0.213 295 R C 2.484 178.865 176.300 0.135 0.000 1.055 295 R CA 0.810 56.983 56.100 0.121 0.000 0.996 295 R CB -0.442 29.942 30.300 0.141 0.000 0.901 295 R HN 0.200 nan 8.270 nan 0.000 0.456 296 L N 0.073 121.376 121.223 0.133 0.000 2.093 296 L HA -0.015 4.325 4.340 0.001 0.000 0.208 296 L C 2.382 179.455 176.870 0.339 0.000 1.085 296 L CA 1.733 56.693 54.840 0.199 0.000 0.755 296 L CB -1.090 41.016 42.059 0.077 0.000 0.904 296 L HN 0.173 nan 8.230 nan 0.000 0.435 297 M N -1.300 118.460 119.600 0.267 0.000 2.080 297 M HA -0.290 4.190 4.480 0.001 0.000 0.260 297 M C 2.462 178.879 176.300 0.196 0.000 1.068 297 M CA 2.476 57.927 55.300 0.252 0.000 1.109 297 M CB -0.272 32.459 32.600 0.219 0.000 1.342 297 M HN 0.761 nan 8.290 nan 0.000 0.405 298 Q N 0.457 120.349 119.800 0.153 0.000 2.077 298 Q HA -0.266 4.075 4.340 0.001 0.000 0.206 298 Q C 1.866 177.935 176.000 0.115 0.000 0.989 298 Q CA 1.899 57.764 55.803 0.103 0.000 0.853 298 Q CB -0.055 28.725 28.738 0.071 0.000 0.907 298 Q HN 0.555 nan 8.270 nan 0.000 0.418 299 Q N -1.608 118.290 119.800 0.164 0.000 2.181 299 Q HA -0.099 4.241 4.340 0.001 0.000 0.205 299 Q C 1.212 177.288 176.000 0.126 0.000 0.980 299 Q CA 1.135 57.041 55.803 0.171 0.000 0.862 299 Q CB 0.156 29.061 28.738 0.278 0.000 0.905 299 Q HN 0.664 nan 8.270 nan 0.000 0.429 300 G N -1.801 107.088 108.800 0.148 0.000 3.033 300 G HA2 -0.168 3.792 3.960 0.001 0.000 0.208 300 G HA3 -0.168 3.792 3.960 0.001 0.000 0.208 300 G C -0.535 174.407 174.900 0.071 0.000 1.006 300 G CA -0.669 44.463 45.100 0.054 0.000 0.808 300 G HN 0.179 nan 8.290 nan 0.000 0.499 301 Y N 2.192 122.613 120.300 0.202 0.000 2.620 301 Y HA 0.393 4.943 4.550 0.001 0.000 0.330 301 Y C 1.585 177.654 175.900 0.280 0.000 1.186 301 Y CA 0.875 59.149 58.100 0.289 0.000 1.467 301 Y CB 0.744 39.433 38.460 0.381 0.000 1.262 301 Y HN 0.272 nan 8.280 nan 0.000 0.550 302 G N 2.946 111.959 108.800 0.356 0.000 2.527 302 G HA2 0.348 4.308 3.960 0.001 0.000 0.248 302 G HA3 0.348 4.308 3.960 0.001 0.000 0.248 302 G C -1.556 173.399 174.900 0.092 0.000 1.231 302 G CA -0.088 45.118 45.100 0.177 0.000 0.838 302 G HN 0.557 nan 8.290 nan 0.000 0.570 303 F N 0.680 120.443 119.950 -0.311 0.000 2.704 303 F HA 0.585 5.112 4.527 0.001 0.000 0.312 303 F C -0.549 174.821 175.800 -0.716 0.000 1.108 303 F CA -0.382 57.218 58.000 -0.668 0.000 1.005 303 F CB 0.613 39.055 39.000 -0.930 0.000 1.277 303 F HN 0.937 nan 8.300 nan 0.000 0.445 304 A N 3.014 124.681 122.820 -1.922 0.000 2.548 304 A HA 0.878 5.198 4.320 0.001 0.000 0.282 304 A C 0.207 176.485 177.584 -2.178 0.000 1.288 304 A CA -0.343 50.393 52.037 -2.168 0.000 0.748 304 A CB 0.470 18.891 19.000 -0.964 0.000 1.339 304 A HN 1.520 nan 8.150 nan 0.000 0.475 305 G N -0.682 107.285 108.800 -1.389 0.000 2.961 305 G HA2 0.359 4.319 3.960 0.001 0.000 0.150 305 G HA3 0.359 4.319 3.960 0.001 0.000 0.150 305 G C -0.390 174.402 174.900 -0.180 0.000 1.864 305 G CA 0.251 44.991 45.100 -0.601 0.000 0.992 305 G HN 0.662 nan 8.290 nan 0.000 0.458 306 E N 0.341 120.597 120.200 0.094 0.000 1.964 306 E HA 0.446 4.796 4.350 0.001 0.000 0.264 306 E C 0.756 177.356 176.600 0.001 0.000 1.120 306 E CA 0.602 57.011 56.400 0.015 0.000 1.061 306 E CB 0.159 29.819 29.700 -0.068 0.000 1.190 306 E HN 0.822 nan 8.360 nan 0.000 0.459 307 G N 2.622 111.422 108.800 -0.001 0.000 2.159 307 G HA2 -0.325 3.635 3.960 0.001 0.000 0.256 307 G HA3 -0.325 3.635 3.960 0.001 0.000 0.256 307 G C 0.093 175.032 174.900 0.065 0.000 0.977 307 G CA 0.050 45.184 45.100 0.058 0.000 0.652 307 G HN 0.522 nan 8.290 nan 0.000 0.531 308 D N 1.297 121.663 120.400 -0.056 0.000 2.498 308 D HA 0.198 4.838 4.640 0.001 0.000 0.229 308 D C 1.821 177.996 176.300 -0.209 0.000 1.188 308 D CA -0.304 53.596 54.000 -0.167 0.000 1.028 308 D CB -0.698 40.081 40.800 -0.035 0.000 1.087 308 D HN 0.534 nan 8.370 nan 0.000 0.510 309 W N 2.927 124.184 121.300 -0.072 0.000 2.402 309 W HA -0.050 4.610 4.660 0.001 0.000 0.286 309 W C 1.143 177.594 176.519 -0.113 0.000 1.221 309 W CA -0.103 57.192 57.345 -0.084 0.000 1.257 309 W CB -0.509 28.948 29.460 -0.004 0.000 1.120 309 W HN 0.208 nan 8.180 nan 0.000 0.551 310 K N 0.986 121.071 120.400 -0.525 0.000 1.991 310 K HA -0.137 4.183 4.320 0.001 0.000 0.212 310 K C 2.199 178.629 176.600 -0.283 0.000 1.049 310 K CA 2.925 58.976 56.287 -0.394 0.000 0.932 310 K CB -0.619 31.556 32.500 -0.542 0.000 0.717 310 K HN -0.023 nan 8.250 nan 0.000 0.441 311 T N 1.097 115.503 114.554 -0.246 0.000 2.833 311 T HA -0.134 4.217 4.350 0.001 0.000 0.269 311 T C 1.915 176.486 174.700 -0.216 0.000 1.054 311 T CA 1.168 63.169 62.100 -0.165 0.000 1.135 311 T CB -0.276 68.568 68.868 -0.040 0.000 0.869 311 T HN 0.328 nan 8.240 nan 0.000 0.466 312 A N 1.935 124.592 122.820 -0.272 0.000 1.859 312 A HA 0.036 4.357 4.320 0.001 0.000 0.217 312 A C 2.721 180.173 177.584 -0.221 0.000 1.198 312 A CA 2.120 53.993 52.037 -0.273 0.000 0.629 312 A CB -1.405 17.465 19.000 -0.217 0.000 0.830 312 A HN 0.522 nan 8.150 nan 0.000 0.446 313 A N -0.645 121.987 122.820 -0.313 0.000 1.873 313 A HA -0.143 4.178 4.320 0.001 0.000 0.218 313 A C 2.163 179.506 177.584 -0.402 0.000 1.193 313 A CA 1.986 53.705 52.037 -0.530 0.000 0.629 313 A CB -0.832 17.361 19.000 -1.344 0.000 0.826 313 A HN 0.852 nan 8.150 nan 0.000 0.447 314 L N -0.939 120.065 121.223 -0.366 0.000 2.127 314 L HA -0.149 4.191 4.340 0.001 0.000 0.211 314 L C 2.215 178.972 176.870 -0.188 0.000 1.089 314 L CA 1.952 56.625 54.840 -0.277 0.000 0.757 314 L CB -0.565 41.352 42.059 -0.235 0.000 0.899 314 L HN 0.393 nan 8.230 nan 0.000 0.434 315 L N -0.158 120.985 121.223 -0.134 0.000 2.027 315 L HA -0.155 4.186 4.340 0.001 0.000 0.206 315 L C 2.988 179.831 176.870 -0.044 0.000 1.074 315 L CA 2.496 57.301 54.840 -0.057 0.000 0.745 315 L CB -1.018 41.033 42.059 -0.012 0.000 0.898 315 L HN 0.291 nan 8.230 nan 0.000 0.433 316 R N 0.012 120.480 120.500 -0.053 0.000 2.091 316 R HA -0.121 4.219 4.340 0.001 0.000 0.238 316 R C 2.107 178.383 176.300 -0.040 0.000 1.136 316 R CA 2.222 58.312 56.100 -0.017 0.000 0.959 316 R CB -1.817 28.486 30.300 0.006 0.000 0.856 316 R HN 0.608 nan 8.270 nan 0.000 0.437 317 I N 0.221 120.736 120.570 -0.091 0.000 2.142 317 I HA -0.274 3.896 4.170 0.001 0.000 0.240 317 I C 2.865 178.934 176.117 -0.080 0.000 1.078 317 I CA 1.948 63.204 61.300 -0.074 0.000 1.343 317 I CB -0.246 37.690 38.000 -0.106 0.000 1.046 317 I HN 0.289 nan 8.210 nan 0.000 0.405 318 M N -0.089 119.429 119.600 -0.136 0.000 2.229 318 M HA -0.183 4.298 4.480 0.001 0.000 0.264 318 M C 2.317 178.585 176.300 -0.054 0.000 1.063 318 M CA 1.542 56.760 55.300 -0.138 0.000 1.114 318 M CB -0.289 32.204 32.600 -0.178 0.000 1.387 318 M HN 0.094 nan 8.290 nan 0.000 0.420 319 K N 0.237 120.623 120.400 -0.023 0.000 2.116 319 K HA -0.054 4.266 4.320 0.001 0.000 0.203 319 K C 1.700 178.327 176.600 0.045 0.000 1.052 319 K CA 0.792 57.088 56.287 0.016 0.000 0.952 319 K CB 0.201 32.721 32.500 0.033 0.000 0.729 319 K HN 0.091 nan 8.250 nan 0.000 0.446 320 V N 1.630 121.573 119.914 0.048 0.000 2.307 320 V HA -0.266 3.854 4.120 0.001 0.000 0.245 320 V C 2.345 178.547 176.094 0.181 0.000 1.045 320 V CA 1.931 64.290 62.300 0.097 0.000 1.024 320 V CB -0.421 31.429 31.823 0.045 0.000 0.651 320 V HN 0.474 nan 8.190 nan 0.000 0.449 321 M N 1.372 121.041 119.600 0.114 0.000 2.143 321 M HA -0.203 4.278 4.480 0.001 0.000 0.258 321 M C 1.886 178.294 176.300 0.179 0.000 1.071 321 M CA 2.511 57.907 55.300 0.158 0.000 1.088 321 M CB -0.225 32.403 32.600 0.047 0.000 1.360 321 M HN 0.532 nan 8.290 nan 0.000 0.404 322 S N -0.803 114.948 115.700 0.085 0.000 2.660 322 S HA 0.107 4.577 4.470 0.001 0.000 0.227 322 S C 0.201 174.789 174.600 -0.019 0.000 0.948 322 S CA -0.331 57.879 58.200 0.017 0.000 0.948 322 S CB -0.919 62.277 63.200 -0.006 0.000 0.779 322 S HN 0.422 nan 8.310 nan 0.000 0.487 323 T N 2.154 116.703 114.554 -0.007 0.000 2.769 323 T HA 0.527 4.878 4.350 0.001 0.000 0.293 323 T C 1.422 175.977 174.700 -0.241 0.000 0.931 323 T CA 0.329 62.385 62.100 -0.073 0.000 1.139 323 T CB 0.590 69.492 68.868 0.056 0.000 0.881 323 T HN 0.754 nan 8.240 nan 0.000 0.532 324 G N 2.918 111.633 108.800 -0.142 0.000 2.424 324 G HA2 -0.194 3.766 3.960 0.001 0.000 0.207 324 G HA3 -0.194 3.766 3.960 0.001 0.000 0.207 324 G C 0.056 174.900 174.900 -0.093 0.000 1.061 324 G CA -0.696 44.319 45.100 -0.141 0.000 0.657 324 G HN 0.674 nan 8.290 nan 0.000 0.508 325 L N 1.724 122.893 121.223 -0.090 0.000 2.461 325 L HA 0.347 4.687 4.340 0.001 0.000 0.272 325 L C 0.874 177.725 176.870 -0.032 0.000 1.197 325 L CA 0.020 54.829 54.840 -0.053 0.000 0.836 325 L CB 0.497 42.528 42.059 -0.046 0.000 1.105 325 L HN 0.304 nan 8.230 nan 0.000 0.477 326 Q N 1.842 121.632 119.800 -0.017 0.000 2.322 326 Q HA 0.517 4.857 4.340 0.001 0.000 0.256 326 Q C 0.155 176.162 176.000 0.012 0.000 0.960 326 Q CA -0.098 55.702 55.803 -0.005 0.000 0.934 326 Q CB 1.656 30.393 28.738 -0.001 0.000 1.200 326 Q HN 0.865 nan 8.270 nan 0.000 0.435 327 G N 0.689 109.497 108.800 0.013 0.000 2.529 327 G HA2 0.491 4.452 3.960 0.001 0.000 0.238 327 G HA3 0.491 4.452 3.960 0.001 0.000 0.238 327 G C -0.281 174.629 174.900 0.017 0.000 1.207 327 G CA 0.091 45.215 45.100 0.040 0.000 0.928 327 G HN 0.556 nan 8.290 nan 0.000 0.495 328 G N -1.897 106.928 108.800 0.042 0.000 2.451 328 G HA2 0.473 4.433 3.960 0.001 0.000 0.188 328 G HA3 0.473 4.433 3.960 0.001 0.000 0.188 328 G C -0.000 174.940 174.900 0.068 0.000 1.512 328 G CA 1.286 46.414 45.100 0.048 0.000 0.679 328 G HN 1.847 nan 8.290 nan 0.000 0.640 329 T N 0.716 115.334 114.554 0.105 0.000 2.506 329 T HA -0.064 4.286 4.350 0.001 0.000 0.515 329 T C -0.377 174.410 174.700 0.145 0.000 0.826 329 T CA 0.384 62.537 62.100 0.089 0.000 2.733 329 T CB -1.601 67.285 68.868 0.029 0.000 1.744 329 T HN 0.523 nan 8.240 nan 0.000 0.548 330 S N 1.715 117.551 115.700 0.227 0.000 2.621 330 S HA 0.839 5.309 4.470 0.001 0.000 0.302 330 S C -0.111 174.608 174.600 0.197 0.000 1.093 330 S CA -1.004 57.320 58.200 0.207 0.000 1.017 330 S CB 1.207 64.514 63.200 0.178 0.000 1.077 330 S HN 0.594 nan 8.310 nan 0.000 0.517 331 F N 2.155 122.134 119.950 0.048 0.000 2.450 331 F HA 0.698 5.225 4.527 0.001 0.000 0.339 331 F C -0.295 175.499 175.800 -0.009 0.000 1.146 331 F CA -0.263 57.717 58.000 -0.035 0.000 1.267 331 F CB 0.576 39.498 39.000 -0.130 0.000 1.178 331 F HN 0.507 nan 8.300 nan 0.000 0.585 332 M N 4.241 123.181 119.600 -1.100 0.000 2.562 332 M HA 0.316 4.797 4.480 0.001 0.000 0.281 332 M C -1.972 173.887 176.300 -0.736 0.000 1.195 332 M CA -0.275 54.558 55.300 -0.778 0.000 0.888 332 M CB 2.048 34.488 32.600 -0.266 0.000 1.731 332 M HN 0.746 nan 8.290 nan 0.000 0.493 333 E N 0.406 120.380 120.200 -0.377 0.000 2.393 333 E HA 0.635 4.985 4.350 0.001 0.000 0.273 333 E C -1.637 174.962 176.600 -0.003 0.000 0.918 333 E CA -1.035 55.325 56.400 -0.066 0.000 0.773 333 E CB 1.380 31.180 29.700 0.166 0.000 1.275 333 E HN 0.559 nan 8.360 nan 0.000 0.451 334 D N 0.966 121.368 120.400 0.004 0.000 2.338 334 D HA 0.145 4.786 4.640 0.001 0.000 0.255 334 D C 0.411 176.591 176.300 -0.199 0.000 1.237 334 D CA 0.409 54.328 54.000 -0.135 0.000 0.883 334 D CB 0.192 40.863 40.800 -0.215 0.000 1.087 334 D HN 0.591 nan 8.370 nan 0.000 0.485 335 Y N 1.098 121.249 120.300 -0.248 0.000 2.177 335 Y HA 0.140 4.690 4.550 0.001 0.000 0.291 335 Y C 1.363 177.095 175.900 -0.279 0.000 1.117 335 Y CA 0.529 58.503 58.100 -0.211 0.000 1.114 335 Y CB -0.010 38.346 38.460 -0.174 0.000 1.017 335 Y HN 0.398 nan 8.280 nan 0.000 0.505 336 T N -2.434 111.891 114.554 -0.382 0.000 2.843 336 T HA 0.529 4.879 4.350 0.001 0.000 0.302 336 T C -1.924 172.462 174.700 -0.522 0.000 1.232 336 T CA -0.567 61.312 62.100 -0.369 0.000 1.009 336 T CB 1.517 70.279 68.868 -0.176 0.000 1.254 336 T HN 0.321 nan 8.240 nan 0.000 0.504 337 Y N 0.343 120.545 120.300 -0.163 0.000 2.488 337 Y HA 0.571 5.121 4.550 0.001 0.000 0.325 337 Y C 0.618 176.400 175.900 -0.197 0.000 1.204 337 Y CA -0.817 57.112 58.100 -0.284 0.000 1.229 337 Y CB 1.184 39.403 38.460 -0.401 0.000 1.274 337 Y HN 0.570 nan 8.280 nan 0.000 0.493 338 H N 1.961 120.896 119.070 -0.225 0.000 2.744 338 H HA 0.346 4.903 4.556 0.001 0.000 0.339 338 H C -2.022 173.125 175.328 -0.302 0.000 1.004 338 H CA -0.909 55.040 56.048 -0.166 0.000 1.257 338 H CB 0.855 30.535 29.762 -0.136 0.000 1.552 338 H HN 0.592 nan 8.280 nan 0.000 0.522 339 F N 3.551 123.271 119.950 -0.384 0.000 2.388 339 F HA 0.340 4.867 4.527 0.000 0.000 0.358 339 F C 0.384 176.009 175.800 -0.291 0.000 1.122 339 F CA -0.344 57.508 58.000 -0.247 0.000 1.056 339 F CB 1.389 40.275 39.000 -0.191 0.000 1.155 339 F HN 0.413 nan 8.300 nan 0.000 0.461 340 E N 1.262 121.477 120.200 0.025 0.000 2.340 340 E HA 0.452 4.802 4.350 0.001 0.000 0.273 340 E C -0.719 175.916 176.600 0.059 0.000 0.891 340 E CA -1.081 55.345 56.400 0.044 0.000 0.757 340 E CB 1.835 31.599 29.700 0.107 0.000 1.231 340 E HN 0.500 nan 8.360 nan 0.000 0.439 341 K N 0.653 121.078 120.400 0.042 0.000 2.395 341 K HA 0.262 4.582 4.320 0.001 0.000 0.283 341 K C 0.840 177.461 176.600 0.034 0.000 1.068 341 K CA 0.604 56.911 56.287 0.034 0.000 1.039 341 K CB -0.707 31.805 32.500 0.021 0.000 0.924 341 K HN 0.854 nan 8.250 nan 0.000 0.468 342 G N 1.286 110.106 108.800 0.033 0.000 2.160 342 G HA2 -0.280 3.681 3.960 0.001 0.000 0.251 342 G HA3 -0.280 3.681 3.960 0.001 0.000 0.251 342 G C 0.146 175.065 174.900 0.032 0.000 1.008 342 G CA 0.550 45.667 45.100 0.029 0.000 0.724 342 G HN 1.071 nan 8.290 nan 0.000 0.514 343 N N 0.064 118.788 118.700 0.041 0.000 2.679 343 N HA 0.130 4.871 4.740 0.001 0.000 0.240 343 N C -1.472 174.074 175.510 0.059 0.000 1.537 343 N CA -0.476 52.603 53.050 0.048 0.000 0.793 343 N CB 0.587 39.112 38.487 0.063 0.000 1.391 343 N HN 0.112 nan 8.380 nan 0.000 0.524 344 D N 1.843 122.247 120.400 0.006 0.000 2.359 344 D HA 0.266 4.907 4.640 0.001 0.000 0.230 344 D C -0.402 175.829 176.300 -0.115 0.000 1.118 344 D CA -0.070 53.883 54.000 -0.079 0.000 0.844 344 D CB 1.742 42.480 40.800 -0.105 0.000 1.059 344 D HN 0.185 nan 8.370 nan 0.000 0.493 345 L N 1.616 122.760 121.223 -0.132 0.000 2.301 345 L HA 0.552 4.892 4.340 0.001 0.000 0.264 345 L C -0.091 176.598 176.870 -0.301 0.000 1.016 345 L CA -1.242 53.486 54.840 -0.188 0.000 0.821 345 L CB 1.903 43.870 42.059 -0.153 0.000 1.346 345 L HN 0.047 nan 8.230 nan 0.000 0.429 346 V N 1.500 121.080 119.914 -0.555 0.000 2.525 346 V HA 0.715 4.835 4.120 0.001 0.000 0.299 346 V C -0.151 175.327 176.094 -1.028 0.000 1.034 346 V CA -0.844 60.975 62.300 -0.803 0.000 0.863 346 V CB 1.652 32.868 31.823 -1.011 0.000 0.999 346 V HN 0.632 nan 8.190 nan 0.000 0.423 347 L N 3.394 124.198 121.223 -0.699 0.000 2.265 347 L HA 1.033 5.373 4.340 0.001 0.000 0.289 347 L C 0.704 177.281 176.870 -0.489 0.000 1.033 347 L CA 0.059 54.577 54.840 -0.537 0.000 0.814 347 L CB 0.821 42.692 42.059 -0.312 0.000 1.203 347 L HN 0.882 nan 8.230 nan 0.000 0.423 348 G N 1.093 109.661 108.800 -0.386 0.000 2.437 348 G HA2 0.718 4.678 3.960 0.001 0.000 0.319 348 G HA3 0.718 4.678 3.960 0.001 0.000 0.319 348 G C 0.061 174.921 174.900 -0.067 0.000 1.158 348 G CA 0.413 45.453 45.100 -0.100 0.000 0.899 348 G HN 1.539 nan 8.290 nan 0.000 0.502 349 S N -0.986 114.676 115.700 -0.064 0.000 2.764 349 S HA 0.495 4.965 4.470 0.001 0.000 0.289 349 S C -1.782 172.828 174.600 0.017 0.000 1.235 349 S CA -0.572 57.602 58.200 -0.042 0.000 1.081 349 S CB 0.616 63.780 63.200 -0.059 0.000 1.319 349 S HN 1.033 nan 8.310 nan 0.000 0.492 350 H N 0.181 119.232 119.070 -0.033 0.000 3.014 350 H HA 0.354 4.910 4.556 0.000 0.000 0.337 350 H C 0.920 176.288 175.328 0.068 0.000 1.320 350 H CA 0.160 56.236 56.048 0.046 0.000 1.128 350 H CB 1.357 31.220 29.762 0.169 0.000 1.862 350 H HN 0.740 nan 8.280 nan 0.000 0.536 351 M N 1.307 120.728 119.600 -0.299 0.000 2.186 351 M HA -0.276 4.204 4.480 0.001 0.000 0.249 351 M C 0.496 176.877 176.300 0.136 0.000 1.081 351 M CA 2.615 57.881 55.300 -0.057 0.000 1.072 351 M CB 0.039 32.614 32.600 -0.041 0.000 1.318 351 M HN 0.628 nan 8.290 nan 0.000 0.405 352 L N -3.352 118.068 121.223 0.328 0.000 3.337 352 L HA 0.137 4.478 4.340 0.001 0.000 0.313 352 L C -0.603 176.386 176.870 0.199 0.000 1.071 352 L CA -0.225 54.734 54.840 0.198 0.000 1.192 352 L CB 0.849 43.011 42.059 0.173 0.000 1.895 352 L HN 0.000 nan 8.230 nan 0.000 0.596 353 E N 0.845 121.238 120.200 0.321 0.000 2.346 353 E HA 0.470 4.820 4.350 0.001 0.000 0.239 353 E C -0.995 175.820 176.600 0.358 0.000 0.943 353 E CA -0.093 56.485 56.400 0.296 0.000 0.751 353 E CB 2.089 31.991 29.700 0.337 0.000 1.241 353 E HN -0.198 nan 8.360 nan 0.000 0.423 354 V N 1.999 122.080 119.914 0.278 0.000 2.495 354 V HA 0.226 4.346 4.120 0.001 0.000 0.298 354 V C 0.040 176.358 176.094 0.373 0.000 1.031 354 V CA -1.226 61.246 62.300 0.287 0.000 0.871 354 V CB 1.836 33.778 31.823 0.197 0.000 0.988 354 V HN 0.884 nan 8.190 nan 0.000 0.432 355 C N 7.942 127.413 119.300 0.285 0.000 2.648 355 C HA 0.240 4.700 4.460 0.001 0.000 0.419 355 C C -0.669 174.354 174.990 0.055 0.000 1.352 355 C CA -0.879 58.256 59.018 0.196 0.000 1.816 355 C CB 0.345 28.184 27.740 0.165 0.000 2.598 355 C HN 0.827 nan 8.230 nan 0.000 0.598 356 P HA -0.071 nan 4.420 nan 0.000 0.236 356 P C 1.382 178.444 177.300 -0.396 0.000 1.172 356 P CA 1.355 64.046 63.100 -0.681 0.000 0.759 356 P CB -0.128 31.270 31.700 -0.503 0.000 0.843 357 S N -0.005 115.600 115.700 -0.159 0.000 2.447 357 S HA -0.116 4.355 4.470 0.001 0.000 0.233 357 S C 1.545 176.094 174.600 -0.085 0.000 1.006 357 S CA 0.712 58.859 58.200 -0.088 0.000 0.957 357 S CB -1.340 61.856 63.200 -0.008 0.000 0.773 357 S HN 0.385 nan 8.310 nan 0.000 0.507 358 I N -0.972 119.549 120.570 -0.082 0.000 3.855 358 I HA 0.604 4.774 4.170 0.001 0.000 0.327 358 I C 0.828 176.888 176.117 -0.096 0.000 1.359 358 I CA -0.768 60.500 61.300 -0.054 0.000 1.142 358 I CB -0.424 37.606 38.000 0.049 0.000 1.041 358 I HN 0.225 nan 8.210 nan 0.000 0.403 359 A N 1.027 123.740 122.820 -0.178 0.000 2.260 359 A HA 0.701 5.021 4.320 0.001 0.000 0.278 359 A C 1.133 178.673 177.584 -0.073 0.000 1.269 359 A CA 0.738 52.694 52.037 -0.135 0.000 0.824 359 A CB 0.214 19.041 19.000 -0.289 0.000 1.238 359 A HN 0.378 nan 8.150 nan 0.000 0.507 360 V N -2.100 117.795 119.914 -0.031 0.000 3.279 360 V HA 0.260 4.381 4.120 0.001 0.000 0.213 360 V C 1.501 177.587 176.094 -0.013 0.000 1.335 360 V CA 1.465 63.753 62.300 -0.021 0.000 1.317 360 V CB -0.719 31.105 31.823 0.000 0.000 1.209 360 V HN 0.882 nan 8.190 nan 0.000 0.525 361 E N -0.364 119.838 120.200 0.003 0.000 3.416 361 E HA 0.341 4.691 4.350 0.001 0.000 0.363 361 E C -0.100 176.504 176.600 0.006 0.000 0.572 361 E CA -0.254 56.150 56.400 0.007 0.000 1.746 361 E CB 0.533 30.242 29.700 0.017 0.000 2.273 361 E HN 0.585 nan 8.360 nan 0.000 0.514 362 E N -0.306 119.907 120.200 0.021 0.000 2.222 362 E HA 0.384 4.735 4.350 0.001 0.000 0.267 362 E C -1.092 175.543 176.600 0.059 0.000 0.963 362 E CA -0.438 55.978 56.400 0.026 0.000 0.837 362 E CB 1.654 31.372 29.700 0.030 0.000 1.183 362 E HN 0.162 nan 8.360 nan 0.000 0.403 363 K N 2.272 122.713 120.400 0.069 0.000 2.284 363 K HA 0.265 4.585 4.320 0.001 0.000 0.287 363 K C -2.476 174.203 176.600 0.132 0.000 1.081 363 K CA -1.644 54.743 56.287 0.167 0.000 0.910 363 K CB 0.216 32.809 32.500 0.154 0.000 1.088 363 K HN 0.205 nan 8.250 nan 0.000 0.478 364 P HA 0.287 nan 4.420 nan 0.000 0.214 364 P C -0.059 177.261 177.300 0.033 0.000 1.849 364 P CA -0.348 62.788 63.100 0.059 0.000 1.022 364 P CB -0.393 31.328 31.700 0.036 0.000 1.912 365 I N 0.363 120.959 120.570 0.044 0.000 2.575 365 I HA 0.601 4.771 4.170 0.001 0.000 0.285 365 I C 0.716 176.805 176.117 -0.047 0.000 1.085 365 I CA -0.203 61.092 61.300 -0.007 0.000 1.403 365 I CB 0.132 38.133 38.000 0.002 0.000 1.409 365 I HN 0.322 nan 8.210 nan 0.000 0.557 366 L N 2.487 123.669 121.223 -0.068 0.000 2.813 366 L HA 0.992 5.332 4.340 0.001 0.000 0.233 366 L C 0.466 177.292 176.870 -0.073 0.000 1.313 366 L CA 0.393 55.195 54.840 -0.064 0.000 1.390 366 L CB 0.300 42.333 42.059 -0.045 0.000 1.671 366 L HN 1.733 nan 8.230 nan 0.000 0.481 367 D N -1.747 118.618 120.400 -0.057 0.000 3.602 367 D HA 0.685 5.326 4.640 0.001 0.000 0.275 367 D C 0.704 176.979 176.300 -0.042 0.000 1.348 367 D CA 0.794 54.762 54.000 -0.053 0.000 0.768 367 D CB -0.094 40.676 40.800 -0.050 0.000 1.373 367 D HN 2.124 nan 8.370 nan 0.000 0.683 368 V N -0.804 119.084 119.914 -0.044 0.000 2.568 368 V HA 0.159 4.280 4.120 0.001 0.000 0.253 368 V C 1.367 177.440 176.094 -0.034 0.000 1.072 368 V CA 2.328 64.605 62.300 -0.037 0.000 1.084 368 V CB -0.123 31.676 31.823 -0.041 0.000 0.676 368 V HN 0.531 nan 8.190 nan 0.000 0.469 369 Q N -2.678 117.099 119.800 -0.037 0.000 3.110 369 Q HA 0.781 5.121 4.340 0.001 0.000 0.360 369 Q C -0.377 175.603 176.000 -0.033 0.000 0.820 369 Q CA 0.444 56.226 55.803 -0.035 0.000 0.845 369 Q CB 1.427 30.141 28.738 -0.040 0.000 1.357 369 Q HN 1.371 nan 8.270 nan 0.000 0.480 370 H N -2.730 116.321 119.070 -0.032 0.000 4.147 370 H HA 0.515 5.071 4.556 0.001 0.000 0.549 370 H C -0.667 174.637 175.328 -0.040 0.000 1.742 370 H CA 0.058 56.086 56.048 -0.033 0.000 1.830 370 H CB -1.509 28.233 29.762 -0.033 0.000 3.355 370 H HN 1.573 nan 8.280 nan 0.000 0.545 371 L N 0.179 121.376 121.223 -0.044 0.000 3.375 371 L HA 0.655 4.995 4.340 0.001 0.000 0.389 371 L C 1.997 178.839 176.870 -0.046 0.000 1.025 371 L CA 1.552 56.369 54.840 -0.038 0.000 1.784 371 L CB -1.074 nan 42.059 nan 0.000 2.584 371 L HN 2.436 nan 8.230 nan 0.000 0.529 372 G N -0.556 108.206 108.800 -0.063 0.000 2.608 372 G HA2 0.506 4.467 3.960 0.001 0.000 0.212 372 G HA3 0.506 4.467 3.960 0.001 0.000 0.212 372 G C 0.861 175.690 174.900 -0.118 0.000 1.572 372 G CA 0.329 45.382 45.100 -0.078 0.000 1.064 372 G HN 1.224 nan 8.290 nan 0.000 0.556 373 I N 0.311 120.777 120.570 -0.174 0.000 6.679 373 I HA -0.241 3.929 4.170 0.001 0.000 0.126 373 I C 1.601 177.618 176.117 -0.167 0.000 1.811 373 I CA 1.132 62.246 61.300 -0.309 0.000 2.117 373 I CB -2.418 35.235 38.000 -0.578 0.000 3.492 373 I HN 1.636 nan 8.210 nan 0.000 0.193 374 G N 1.402 110.163 108.800 -0.066 0.000 2.379 374 G HA2 -0.122 3.839 3.960 0.001 0.000 0.297 374 G HA3 -0.122 3.839 3.960 0.001 0.000 0.297 374 G C 0.727 175.643 174.900 0.027 0.000 1.004 374 G CA 0.556 45.659 45.100 0.005 0.000 0.921 374 G HN 1.379 nan 8.290 nan 0.000 0.511 375 G N -1.424 107.377 108.800 0.002 0.000 2.367 375 G HA2 0.770 4.730 3.960 0.001 0.000 0.314 375 G HA3 0.770 4.730 3.960 0.001 0.000 0.314 375 G C 0.572 175.478 174.900 0.010 0.000 1.130 375 G CA 0.657 45.767 45.100 0.018 0.000 0.864 375 G HN 0.884 nan 8.290 nan 0.000 0.486 376 K N 1.585 121.994 120.400 0.015 0.000 1.993 376 K HA 0.034 4.355 4.320 0.001 0.000 0.220 376 K C 0.800 177.400 176.600 0.000 0.000 1.028 376 K CA 1.312 57.603 56.287 0.007 0.000 0.994 376 K CB -0.881 nan 32.500 nan 0.000 0.788 376 K HN 0.627 nan 8.250 nan 0.000 0.445 377 D N 1.416 121.815 120.400 -0.001 0.000 2.264 377 D HA 0.225 4.865 4.640 0.001 0.000 0.249 377 D C -0.803 175.492 176.300 -0.007 0.000 1.070 377 D CA -0.333 53.663 54.000 -0.006 0.000 0.912 377 D CB 1.108 41.903 40.800 -0.008 0.000 1.193 377 D HN 0.611 nan 8.370 nan 0.000 0.427 378 D N 0.522 120.915 120.400 -0.011 0.000 2.277 378 D HA 0.297 4.938 4.640 0.001 0.000 0.249 378 D C -2.390 173.901 176.300 -0.016 0.000 1.134 378 D CA -1.461 52.530 54.000 -0.015 0.000 0.863 378 D CB 1.060 41.848 40.800 -0.020 0.000 1.143 378 D HN 0.033 nan 8.370 nan 0.000 0.458 379 P HA 0.444 nan 4.420 nan 0.000 0.287 379 P C -0.854 176.428 177.300 -0.030 0.000 1.296 379 P CA -0.809 62.281 63.100 -0.017 0.000 0.811 379 P CB 0.858 32.554 31.700 -0.006 0.000 1.211 380 A N -0.529 122.266 122.820 -0.042 0.000 2.302 380 A HA 0.743 5.064 4.320 0.001 0.000 0.285 380 A C 0.495 178.038 177.584 -0.067 0.000 1.105 380 A CA -0.208 51.788 52.037 -0.068 0.000 0.816 380 A CB 0.006 18.942 19.000 -0.106 0.000 1.067 380 A HN 0.898 nan 8.150 nan 0.000 0.489 381 R N -1.229 119.223 120.500 -0.081 0.000 2.869 381 R HA 0.934 5.274 4.340 0.001 0.000 0.263 381 R C -0.806 175.440 176.300 -0.090 0.000 1.066 381 R CA 0.045 56.100 56.100 -0.076 0.000 0.960 381 R CB 0.425 30.675 30.300 -0.082 0.000 1.221 381 R HN 2.462 nan 8.270 nan 0.000 0.474 382 L N 0.469 121.626 121.223 -0.110 0.000 2.370 382 L HA 0.953 5.293 4.340 0.001 0.000 0.266 382 L C -0.222 176.311 176.870 -0.562 0.000 1.002 382 L CA -1.273 53.485 54.840 -0.136 0.000 0.818 382 L CB 1.443 nan 42.059 nan 0.000 1.325 382 L HN 0.788 nan 8.230 nan 0.000 0.418 383 I N 2.568 122.818 120.570 -0.534 0.000 2.465 383 I HA 0.875 5.045 4.170 0.001 0.000 0.291 383 I C -0.806 175.004 176.117 -0.511 0.000 1.014 383 I CA -0.539 60.383 61.300 -0.631 0.000 1.093 383 I CB 1.569 39.410 38.000 -0.265 0.000 1.267 383 I HN 0.752 nan 8.210 nan 0.000 0.431 384 F N 3.106 123.041 119.950 -0.024 0.000 2.713 384 F HA 0.547 5.074 4.527 0.000 0.000 0.311 384 F C -0.772 175.006 175.800 -0.036 0.000 1.141 384 F CA -1.158 56.827 58.000 -0.026 0.000 0.939 384 F CB 0.683 39.670 39.000 -0.020 0.000 1.325 384 F HN 0.206 nan 8.300 nan 0.000 0.453 385 N N -0.277 118.527 118.700 0.172 0.000 2.502 385 N HA 0.679 5.420 4.740 0.001 0.000 0.280 385 N C 0.365 175.925 175.510 0.082 0.000 1.223 385 N CA 0.121 53.220 53.050 0.081 0.000 0.966 385 N CB 0.736 39.245 38.487 0.037 0.000 1.203 385 N HN 1.081 nan 8.380 nan 0.000 0.565 386 T N -0.495 114.080 114.554 0.035 0.000 3.976 386 T HA 0.168 4.518 4.350 0.001 0.000 0.393 386 T C 0.507 175.209 174.700 0.003 0.000 1.208 386 T CA 0.654 62.759 62.100 0.008 0.000 0.970 386 T CB 0.072 nan 68.868 nan 0.000 1.759 386 T HN 0.206 nan 8.240 nan 0.000 0.527 387 Q N -1.003 118.799 119.800 0.002 0.000 2.962 387 Q HA 0.545 4.885 4.340 0.001 0.000 0.282 387 Q C -0.994 175.077 176.000 0.119 0.000 1.058 387 Q CA -0.591 55.185 55.803 -0.045 0.000 0.854 387 Q CB 1.382 29.896 28.738 -0.373 0.000 1.441 387 Q HN 0.677 nan 8.270 nan 0.000 0.497 388 T N -0.613 114.025 114.554 0.139 0.000 2.833 388 T HA 0.668 5.018 4.350 0.001 0.000 0.297 388 T C -0.343 174.493 174.700 0.227 0.000 1.015 388 T CA 0.430 62.633 62.100 0.171 0.000 0.963 388 T CB 0.047 68.970 68.868 0.091 0.000 0.955 388 T HN 0.798 nan 8.240 nan 0.000 0.449 389 G N 5.326 114.262 108.800 0.226 0.000 2.353 389 G HA2 0.179 4.140 3.960 0.001 0.000 0.424 389 G HA3 0.179 4.140 3.960 0.001 0.000 0.424 389 G C -3.316 171.553 174.900 -0.051 0.000 1.320 389 G CA -0.930 44.234 45.100 0.106 0.000 0.995 389 G HN 0.621 nan 8.290 nan 0.000 0.580 390 P HA 0.471 nan 4.420 nan 0.000 0.266 390 P C 0.108 177.112 177.300 -0.494 0.000 1.195 390 P CA 1.055 64.025 63.100 -0.216 0.000 0.768 390 P CB 1.372 32.993 31.700 -0.131 0.000 0.838 391 A N 2.727 125.250 122.820 -0.495 0.000 2.529 391 A HA 0.862 5.182 4.320 0.001 0.000 0.296 391 A C -0.996 176.297 177.584 -0.487 0.000 1.205 391 A CA -0.735 50.890 52.037 -0.687 0.000 0.671 391 A CB 1.099 19.462 19.000 -1.061 0.000 1.301 391 A HN 0.562 nan 8.150 nan 0.000 0.450 392 I N -3.094 117.140 120.570 -0.560 0.000 2.656 392 I HA 0.864 5.034 4.170 0.001 0.000 0.292 392 I C -0.564 175.308 176.117 -0.408 0.000 1.144 392 I CA -1.203 59.874 61.300 -0.371 0.000 1.038 392 I CB 1.515 39.379 38.000 -0.227 0.000 1.244 392 I HN 0.836 nan 8.210 nan 0.000 0.420 393 V N 3.679 123.438 119.914 -0.258 0.000 2.435 393 V HA 0.975 5.095 4.120 0.001 0.000 0.290 393 V C 0.011 176.158 176.094 0.088 0.000 1.030 393 V CA -0.308 61.907 62.300 -0.142 0.000 0.881 393 V CB 1.423 33.107 31.823 -0.233 0.000 0.983 393 V HN 1.154 nan 8.190 nan 0.000 0.445 394 A N 3.306 126.198 122.820 0.120 0.000 2.539 394 A HA 0.938 5.259 4.320 0.001 0.000 0.296 394 A C -0.497 177.179 177.584 0.153 0.000 1.073 394 A CA -0.139 51.987 52.037 0.149 0.000 0.700 394 A CB 1.906 20.901 19.000 -0.007 0.000 1.296 394 A HN 1.792 nan 8.150 nan 0.000 0.405 395 S N 0.288 116.031 115.700 0.071 0.000 2.546 395 S HA 0.618 5.089 4.470 0.001 0.000 0.272 395 S C -1.820 172.734 174.600 -0.075 0.000 1.140 395 S CA -0.385 57.829 58.200 0.022 0.000 0.920 395 S CB 1.060 64.329 63.200 0.114 0.000 1.083 395 S HN 1.129 nan 8.310 nan 0.000 0.476 396 L N 6.297 127.483 121.223 -0.063 0.000 2.272 396 L HA 0.738 5.078 4.340 0.001 0.000 0.289 396 L C -0.583 176.274 176.870 -0.022 0.000 1.032 396 L CA -0.401 54.417 54.840 -0.036 0.000 0.810 396 L CB 0.930 42.949 42.059 -0.068 0.000 1.205 396 L HN 0.713 nan 8.230 nan 0.000 0.422 397 I N 0.185 120.765 120.570 0.016 0.000 2.693 397 I HA 0.572 4.742 4.170 0.001 0.000 0.303 397 I C -0.919 175.247 176.117 0.081 0.000 1.025 397 I CA -0.767 60.534 61.300 0.002 0.000 1.086 397 I CB 1.919 39.880 38.000 -0.065 0.000 1.268 397 I HN 0.393 nan 8.210 nan 0.000 0.440 398 D N 4.555 124.962 120.400 0.012 0.000 2.443 398 D HA 0.321 4.961 4.640 0.001 0.000 0.221 398 D C 0.421 176.627 176.300 -0.156 0.000 1.097 398 D CA -0.260 53.662 54.000 -0.130 0.000 0.865 398 D CB 1.321 42.094 40.800 -0.046 0.000 1.034 398 D HN 0.684 nan 8.370 nan 0.000 0.511 399 L N 2.948 124.053 121.223 -0.196 0.000 2.610 399 L HA 0.152 4.492 4.340 0.001 0.000 0.232 399 L C 1.939 178.726 176.870 -0.139 0.000 1.149 399 L CA 0.666 55.423 54.840 -0.138 0.000 0.872 399 L CB -0.173 41.813 42.059 -0.121 0.000 0.992 399 L HN 0.763 nan 8.230 nan 0.000 0.447 400 G N 0.574 109.259 108.800 -0.192 0.000 2.729 400 G HA2 -0.370 3.590 3.960 0.001 0.000 0.216 400 G HA3 -0.370 3.590 3.960 0.001 0.000 0.216 400 G C 0.688 175.509 174.900 -0.132 0.000 1.252 400 G CA 0.382 45.405 45.100 -0.127 0.000 0.751 400 G HN 0.508 nan 8.290 nan 0.000 0.527 401 D N 0.940 121.267 120.400 -0.122 0.000 2.360 401 D HA 0.268 4.909 4.640 0.001 0.000 0.210 401 D C 1.124 177.352 176.300 -0.120 0.000 1.047 401 D CA 1.086 55.031 54.000 -0.092 0.000 0.854 401 D CB 0.070 40.839 40.800 -0.051 0.000 0.936 401 D HN 1.072 nan 8.370 nan 0.000 0.514 402 R N -2.448 117.921 120.500 -0.218 0.000 2.780 402 R HA 0.390 4.730 4.340 0.001 0.000 0.280 402 R C -1.665 174.402 176.300 -0.388 0.000 1.016 402 R CA -0.928 55.042 56.100 -0.218 0.000 0.854 402 R CB 0.197 30.459 30.300 -0.064 0.000 1.293 402 R HN -0.100 nan 8.270 nan 0.000 0.483 403 Y N -0.006 120.309 120.300 0.025 0.000 2.496 403 Y HA 0.609 5.159 4.550 0.001 0.000 0.331 403 Y C 0.182 176.058 175.900 -0.041 0.000 1.140 403 Y CA -0.779 57.349 58.100 0.048 0.000 1.166 403 Y CB 1.768 40.349 38.460 0.202 0.000 1.249 403 Y HN 0.476 nan 8.280 nan 0.000 0.479 404 R N 2.220 122.789 120.500 0.115 0.000 2.538 404 R HA 0.526 4.867 4.340 0.001 0.000 0.292 404 R C -2.260 174.047 176.300 0.011 0.000 1.008 404 R CA -0.945 55.147 56.100 -0.013 0.000 0.896 404 R CB 1.165 31.413 30.300 -0.087 0.000 1.187 404 R HN 0.689 nan 8.270 nan 0.000 0.440 405 L N 5.838 127.070 121.223 0.014 0.000 2.259 405 L HA 0.377 4.718 4.340 0.001 0.000 0.288 405 L C -1.447 175.395 176.870 -0.046 0.000 1.051 405 L CA -0.388 54.463 54.840 0.019 0.000 0.824 405 L CB 0.959 43.094 42.059 0.125 0.000 1.206 405 L HN 0.594 nan 8.230 nan 0.000 0.429 406 L N 5.814 126.951 121.223 -0.144 0.000 2.326 406 L HA 0.598 4.938 4.340 0.001 0.000 0.278 406 L C -0.406 176.409 176.870 -0.091 0.000 1.092 406 L CA -0.074 54.638 54.840 -0.214 0.000 0.810 406 L CB 1.561 43.243 42.059 -0.628 0.000 1.153 406 L HN 0.303 nan 8.230 nan 0.000 0.439 407 V N 2.240 122.173 119.914 0.032 0.000 2.610 407 V HA 0.386 4.507 4.120 0.001 0.000 0.298 407 V C -0.864 175.338 176.094 0.180 0.000 1.067 407 V CA -0.697 61.671 62.300 0.114 0.000 0.894 407 V CB 1.912 33.769 31.823 0.056 0.000 1.015 407 V HN 0.763 nan 8.190 nan 0.000 0.432 408 N N 3.496 122.355 118.700 0.264 0.000 2.443 408 N HA 0.472 5.212 4.740 0.001 0.000 0.269 408 N C -0.240 175.309 175.510 0.066 0.000 0.985 408 N CA -0.281 52.890 53.050 0.201 0.000 0.921 408 N CB 1.127 39.795 38.487 0.301 0.000 1.195 408 N HN 0.746 nan 8.380 nan 0.000 0.492 409 C N 3.569 122.884 119.300 0.025 0.000 2.656 409 C HA 0.648 5.108 4.460 0.001 0.000 0.391 409 C C 0.905 175.868 174.990 -0.044 0.000 1.300 409 C CA -0.876 58.114 59.018 -0.046 0.000 2.302 409 C CB -1.284 26.433 27.740 -0.038 0.000 2.655 409 C HN 0.724 nan 8.230 nan 0.000 0.656 410 I N -1.914 118.595 120.570 -0.102 0.000 3.263 410 I HA 0.719 4.889 4.170 0.001 0.000 0.314 410 I C -2.042 174.054 176.117 -0.035 0.000 1.269 410 I CA -0.739 60.533 61.300 -0.046 0.000 0.942 410 I CB 2.347 40.221 38.000 -0.211 0.000 1.305 410 I HN 0.407 nan 8.210 nan 0.000 0.474 411 D N 1.453 121.902 120.400 0.082 0.000 2.476 411 D HA 0.338 4.979 4.640 0.001 0.000 0.251 411 D C -0.618 175.799 176.300 0.195 0.000 1.291 411 D CA -0.186 53.864 54.000 0.083 0.000 0.939 411 D CB 1.957 42.796 40.800 0.066 0.000 1.221 411 D HN 0.817 nan 8.370 nan 0.000 0.567 412 T N -0.908 113.791 114.554 0.242 0.000 2.940 412 T HA 0.461 4.812 4.350 0.001 0.000 0.309 412 T C 0.308 175.128 174.700 0.199 0.000 1.056 412 T CA -0.399 61.888 62.100 0.312 0.000 1.137 412 T CB 0.748 69.865 68.868 0.414 0.000 0.976 412 T HN 0.080 nan 8.240 nan 0.000 0.547 413 V N 1.904 121.908 119.914 0.151 0.000 3.040 413 V HA 0.523 4.643 4.120 0.001 0.000 0.312 413 V C 0.263 176.390 176.094 0.055 0.000 1.115 413 V CA -1.414 60.937 62.300 0.086 0.000 0.998 413 V CB 2.206 34.062 31.823 0.054 0.000 1.042 413 V HN 1.042 nan 8.190 nan 0.000 0.433 414 K N 1.068 121.487 120.400 0.032 0.000 2.219 414 K HA 0.302 4.623 4.320 0.001 0.000 0.258 414 K C 0.205 176.794 176.600 -0.018 0.000 1.008 414 K CA -0.195 56.100 56.287 0.012 0.000 0.928 414 K CB 0.722 33.229 32.500 0.010 0.000 0.983 414 K HN 0.964 nan 8.250 nan 0.000 0.484 415 T N 1.533 116.069 114.554 -0.030 0.000 2.829 415 T HA 0.096 4.447 4.350 0.001 0.000 0.293 415 T C -1.344 173.320 174.700 -0.059 0.000 0.970 415 T CA -1.316 60.749 62.100 -0.059 0.000 1.168 415 T CB 0.705 69.540 68.868 -0.055 0.000 0.911 415 T HN 0.512 nan 8.240 nan 0.000 0.535 416 P HA 0.082 nan 4.420 nan 0.000 0.225 416 P C 0.750 178.014 177.300 -0.060 0.000 1.156 416 P CA 1.232 64.288 63.100 -0.073 0.000 0.787 416 P CB -0.100 31.537 31.700 -0.105 0.000 0.802 417 H N -1.544 117.485 119.070 -0.068 0.000 2.927 417 H HA 0.698 5.254 4.556 0.001 0.000 0.316 417 H C 0.280 175.580 175.328 -0.046 0.000 1.403 417 H CA -0.476 55.542 56.048 -0.050 0.000 1.288 417 H CB 0.450 30.182 29.762 -0.051 0.000 1.944 417 H HN -0.098 nan 8.280 nan 0.000 0.629 418 S N -0.671 115.007 115.700 -0.037 0.000 2.646 418 S HA 0.485 4.955 4.470 0.001 0.000 0.273 418 S C 0.834 175.410 174.600 -0.041 0.000 1.168 418 S CA 0.230 58.410 58.200 -0.034 0.000 1.013 418 S CB 0.140 63.324 63.200 -0.026 0.000 1.098 418 S HN 1.224 nan 8.310 nan 0.000 0.544 419 L N -1.716 119.484 121.223 -0.040 0.000 3.132 419 L HA 0.438 4.778 4.340 0.001 0.000 0.333 419 L C -2.252 174.590 176.870 -0.046 0.000 1.293 419 L CA -0.965 53.846 54.840 -0.048 0.000 0.809 419 L CB 0.442 42.468 42.059 -0.055 0.000 1.244 419 L HN 0.375 nan 8.230 nan 0.000 0.586 420 P HA -0.081 nan 4.420 nan 0.000 0.215 420 P C 1.654 178.929 177.300 -0.040 0.000 1.157 420 P CA 2.162 65.241 63.100 -0.036 0.000 0.859 420 P CB 0.267 31.950 31.700 -0.029 0.000 0.786 421 K N 0.209 120.585 120.400 -0.040 0.000 2.296 421 K HA 0.049 4.369 4.320 0.001 0.000 0.200 421 K C 1.512 178.081 176.600 -0.051 0.000 1.048 421 K CA 0.423 56.685 56.287 -0.041 0.000 0.966 421 K CB -1.457 31.022 32.500 -0.036 0.000 0.754 421 K HN 0.133 nan 8.250 nan 0.000 0.466 422 L N 2.144 123.332 121.223 -0.058 0.000 2.745 422 L HA 0.003 4.344 4.340 0.001 0.000 0.273 422 L C -1.027 175.795 176.870 -0.080 0.000 1.156 422 L CA -1.058 53.739 54.840 -0.071 0.000 0.982 422 L CB 1.012 43.024 42.059 -0.080 0.000 1.295 422 L HN 0.288 nan 8.230 nan 0.000 0.483 423 P HA -0.022 nan 4.420 nan 0.000 0.219 423 P C 0.317 177.556 177.300 -0.103 0.000 1.154 423 P CA 0.657 63.709 63.100 -0.080 0.000 0.826 423 P CB 0.335 31.995 31.700 -0.067 0.000 0.795 424 V N -0.076 119.772 119.914 -0.110 0.000 3.211 424 V HA 0.635 4.756 4.120 0.001 0.000 0.319 424 V C 0.754 176.725 176.094 -0.205 0.000 1.096 424 V CA -1.301 60.916 62.300 -0.138 0.000 1.029 424 V CB 0.558 32.329 31.823 -0.086 0.000 1.137 424 V HN 0.102 nan 8.190 nan 0.000 0.453 425 A N 1.835 124.467 122.820 -0.314 0.000 2.466 425 A HA 0.485 4.805 4.320 0.001 0.000 0.238 425 A C 0.130 177.590 177.584 -0.207 0.000 1.074 425 A CA 0.150 51.929 52.037 -0.429 0.000 0.774 425 A CB -0.485 18.008 19.000 -0.844 0.000 1.015 425 A HN 1.188 nan 8.150 nan 0.000 0.498 426 N N -0.858 117.751 118.700 -0.152 0.000 2.405 426 N HA 0.782 5.522 4.740 0.001 0.000 0.285 426 N C -0.940 174.539 175.510 -0.052 0.000 1.262 426 N CA -0.080 52.914 53.050 -0.095 0.000 0.773 426 N CB 2.050 40.476 38.487 -0.101 0.000 1.490 426 N HN 0.941 nan 8.380 nan 0.000 0.486 427 A N 0.180 122.967 122.820 -0.054 0.000 2.547 427 A HA 0.739 5.059 4.320 0.001 0.000 0.297 427 A C -1.842 175.755 177.584 0.021 0.000 1.056 427 A CA -0.605 51.418 52.037 -0.023 0.000 0.688 427 A CB 1.061 19.986 19.000 -0.125 0.000 1.282 427 A HN 0.677 nan 8.150 nan 0.000 0.400 428 L N 1.804 123.075 121.223 0.081 0.000 2.455 428 L HA 0.870 5.211 4.340 0.001 0.000 0.264 428 L C -1.469 175.504 176.870 0.171 0.000 0.968 428 L CA -0.200 54.614 54.840 -0.043 0.000 0.827 428 L CB 1.891 43.886 42.059 -0.107 0.000 1.317 428 L HN 1.048 nan 8.230 nan 0.000 0.407 429 W N 2.763 124.036 121.300 -0.045 0.000 3.005 429 W HA 0.610 5.270 4.660 0.000 0.000 0.343 429 W C -2.047 174.464 176.519 -0.013 0.000 1.243 429 W CA -1.114 56.232 57.345 0.001 0.000 1.186 429 W CB 0.992 30.488 29.460 0.059 0.000 1.453 429 W HN 0.180 nan 8.180 nan 0.000 0.575 430 K N 2.162 122.734 120.400 0.287 0.000 2.389 430 K HA 0.646 4.966 4.320 0.001 0.000 0.261 430 K C -0.162 176.581 176.600 0.239 0.000 1.014 430 K CA -0.741 55.638 56.287 0.154 0.000 0.920 430 K CB 1.637 34.192 32.500 0.091 0.000 1.149 430 K HN 0.600 nan 8.250 nan 0.000 0.444 431 A N 2.803 125.758 122.820 0.225 0.000 2.440 431 A HA 0.026 4.346 4.320 0.001 0.000 0.251 431 A C 1.179 178.833 177.584 0.116 0.000 1.089 431 A CA -0.212 51.963 52.037 0.230 0.000 0.779 431 A CB 0.482 19.604 19.000 0.202 0.000 1.022 431 A HN 0.764 nan 8.150 nan 0.000 0.492 432 Q N 1.836 121.694 119.800 0.097 0.000 1.895 432 Q HA -0.170 4.170 4.340 0.001 0.000 0.217 432 Q C -0.445 175.581 176.000 0.043 0.000 1.003 432 Q CA 2.583 58.423 55.803 0.061 0.000 0.871 432 Q CB -1.267 27.499 28.738 0.047 0.000 0.941 432 Q HN 0.727 nan 8.270 nan 0.000 0.421 433 P HA -0.115 nan 4.420 nan 0.000 0.213 433 P C -0.593 176.717 177.300 0.018 0.000 1.170 433 P CA 1.858 64.969 63.100 0.019 0.000 0.898 433 P CB -0.019 31.682 31.700 0.002 0.000 0.787 434 D N -4.695 115.714 120.400 0.015 0.000 2.766 434 D HA 0.072 4.712 4.640 0.001 0.000 0.244 434 D C 0.585 176.888 176.300 0.004 0.000 1.198 434 D CA -0.750 53.257 54.000 0.012 0.000 0.739 434 D CB 0.000 40.806 40.800 0.010 0.000 1.379 434 D HN -0.182 nan 8.370 nan 0.000 0.437 435 L N 0.503 121.720 121.223 -0.011 0.000 2.021 435 L HA -0.095 4.245 4.340 0.001 0.000 0.215 435 L C -0.656 176.195 176.870 -0.032 0.000 1.074 435 L CA 2.202 57.016 54.840 -0.043 0.000 0.760 435 L CB -1.030 40.951 42.059 -0.130 0.000 0.889 435 L HN 0.540 nan 8.230 nan 0.000 0.433 436 P HA -0.099 nan 4.420 nan 0.000 0.217 436 P C 1.443 178.735 177.300 -0.015 0.000 1.150 436 P CA 1.529 64.628 63.100 -0.002 0.000 0.832 436 P CB -0.069 31.638 31.700 0.012 0.000 0.787 437 T N 0.067 114.609 114.554 -0.020 0.000 2.852 437 T HA 0.087 4.438 4.350 0.001 0.000 0.256 437 T C 2.135 176.797 174.700 -0.064 0.000 1.038 437 T CA 1.251 63.323 62.100 -0.047 0.000 1.141 437 T CB -0.872 67.967 68.868 -0.048 0.000 0.869 437 T HN 0.031 nan 8.240 nan 0.000 0.439 438 A N 2.119 124.924 122.820 -0.025 0.000 1.978 438 A HA -0.123 4.197 4.320 0.001 0.000 0.220 438 A C 2.535 180.161 177.584 0.070 0.000 1.170 438 A CA 2.140 54.185 52.037 0.013 0.000 0.636 438 A CB -0.758 18.273 19.000 0.051 0.000 0.810 438 A HN 0.600 nan 8.150 nan 0.000 0.448 439 S N -0.417 115.315 115.700 0.053 0.000 2.371 439 S HA -0.080 4.391 4.470 0.001 0.000 0.221 439 S C 1.704 176.381 174.600 0.128 0.000 1.036 439 S CA 0.967 59.224 58.200 0.094 0.000 0.965 439 S CB -0.481 62.747 63.200 0.046 0.000 0.845 439 S HN 0.616 nan 8.310 nan 0.000 0.475 440 E N 2.137 122.369 120.200 0.054 0.000 2.070 440 E HA -0.127 4.224 4.350 0.001 0.000 0.197 440 E C 2.410 179.035 176.600 0.042 0.000 1.004 440 E CA 1.271 57.698 56.400 0.045 0.000 0.805 440 E CB -0.525 29.176 29.700 0.001 0.000 0.744 440 E HN 0.647 nan 8.360 nan 0.000 0.451 441 A N 1.639 124.410 122.820 -0.082 0.000 1.859 441 A HA -0.235 4.086 4.320 0.001 0.000 0.217 441 A C 1.987 179.616 177.584 0.076 0.000 1.198 441 A CA 1.487 53.340 52.037 -0.306 0.000 0.629 441 A CB -1.252 17.273 19.000 -0.792 0.000 0.830 441 A HN 0.597 nan 8.150 nan 0.000 0.446 442 W N 0.545 121.832 121.300 -0.022 0.000 2.304 442 W HA -0.238 4.423 4.660 0.000 0.000 0.315 442 W C 1.884 178.462 176.519 0.098 0.000 1.233 442 W CA 2.239 59.631 57.345 0.078 0.000 1.261 442 W CB -0.413 29.093 29.460 0.077 0.000 1.150 442 W HN 0.379 nan 8.180 nan 0.000 0.494 443 I N 0.163 120.947 120.570 0.356 0.000 2.286 443 I HA -0.323 3.847 4.170 0.001 0.000 0.245 443 I C 2.569 178.774 176.117 0.146 0.000 1.104 443 I CA 0.911 62.359 61.300 0.246 0.000 1.397 443 I CB -0.831 37.289 38.000 0.200 0.000 1.072 443 I HN -0.140 nan 8.210 nan 0.000 0.417 444 L N 0.703 122.017 121.223 0.151 0.000 2.042 444 L HA -0.196 4.145 4.340 0.001 0.000 0.210 444 L C 2.151 179.092 176.870 0.118 0.000 1.076 444 L CA 1.374 56.299 54.840 0.140 0.000 0.749 444 L CB -0.527 41.654 42.059 0.203 0.000 0.893 444 L HN 0.241 nan 8.230 nan 0.000 0.432 445 A N -0.837 122.069 122.820 0.143 0.000 2.476 445 A HA 0.448 4.768 4.320 0.001 0.000 0.263 445 A C 1.509 179.047 177.584 -0.076 0.000 1.342 445 A CA 0.575 52.633 52.037 0.035 0.000 0.926 445 A CB -0.746 18.310 19.000 0.094 0.000 1.019 445 A HN 0.543 nan 8.150 nan 0.000 0.515 446 G N -0.009 108.770 108.800 -0.034 0.000 5.426 446 G HA2 0.070 4.030 3.960 0.001 0.000 0.297 446 G HA3 0.070 4.030 3.960 0.001 0.000 0.297 446 G C 1.497 176.349 174.900 -0.081 0.000 1.422 446 G CA 0.615 45.686 45.100 -0.049 0.000 0.938 446 G HN 2.389 nan 8.290 nan 0.000 0.754 447 G N 0.837 109.460 108.800 -0.295 0.000 2.880 447 G HA2 0.359 4.319 3.960 0.001 0.000 0.220 447 G HA3 0.359 4.319 3.960 0.001 0.000 0.220 447 G C 0.435 175.401 174.900 0.110 0.000 0.486 447 G CA 1.104 45.832 45.100 -0.620 0.000 0.914 447 G HN 2.344 nan 8.290 nan 0.000 0.427 448 A N 3.844 126.762 122.820 0.163 0.000 2.371 448 A HA 0.619 4.939 4.320 0.001 0.000 0.257 448 A C 1.483 179.348 177.584 0.468 0.000 1.089 448 A CA 0.638 52.830 52.037 0.257 0.000 0.794 448 A CB 0.204 19.239 19.000 0.058 0.000 1.029 448 A HN 1.622 nan 8.150 nan 0.000 0.488 449 H N 1.488 120.685 119.070 0.212 0.000 2.457 449 H HA -0.066 4.490 4.556 0.000 0.000 0.294 449 H C 0.173 175.643 175.328 0.238 0.000 1.064 449 H CA 1.430 57.581 56.048 0.172 0.000 1.330 449 H CB -0.623 29.187 29.762 0.080 0.000 1.395 449 H HN 0.803 nan 8.280 nan 0.000 0.541 450 H N 0.589 119.460 119.070 -0.331 0.000 2.629 450 H HA 0.334 4.890 4.556 0.001 0.000 0.357 450 H C -0.006 175.334 175.328 0.019 0.000 1.121 450 H CA 0.330 56.282 56.048 -0.159 0.000 1.406 450 H CB 1.226 30.942 29.762 -0.077 0.000 1.456 450 H HN 0.217 nan 8.280 nan 0.000 0.579 451 T N 1.475 116.086 114.554 0.096 0.000 2.932 451 T HA 0.249 4.599 4.350 0.001 0.000 0.318 451 T C -1.291 173.429 174.700 0.034 0.000 1.265 451 T CA -0.819 61.347 62.100 0.110 0.000 1.036 451 T CB 1.088 70.017 68.868 0.102 0.000 1.209 451 T HN 0.272 nan 8.240 nan 0.000 0.484 452 V N 5.253 125.197 119.914 0.049 0.000 2.348 452 V HA 0.441 4.562 4.120 0.001 0.000 0.270 452 V C 0.022 176.121 176.094 0.008 0.000 1.037 452 V CA -0.708 61.610 62.300 0.030 0.000 0.872 452 V CB -0.017 31.794 31.823 -0.020 0.000 1.002 452 V HN 0.808 nan 8.190 nan 0.000 0.464 453 F N 4.561 124.433 119.950 -0.130 0.000 2.389 453 F HA 0.646 5.173 4.527 0.001 0.000 0.337 453 F C 0.450 176.191 175.800 -0.098 0.000 1.112 453 F CA 0.472 58.364 58.000 -0.180 0.000 1.192 453 F CB 1.348 40.214 39.000 -0.222 0.000 1.185 453 F HN 0.475 nan 8.300 nan 0.000 0.552 454 S N 3.429 118.593 115.700 -0.893 0.000 2.584 454 S HA 0.257 4.727 4.470 0.001 0.000 0.280 454 S C -0.531 173.724 174.600 -0.575 0.000 1.162 454 S CA -0.591 57.307 58.200 -0.503 0.000 0.951 454 S CB 0.569 63.613 63.200 -0.259 0.000 1.108 454 S HN 0.848 nan 8.310 nan 0.000 0.464 455 H N 2.914 121.742 119.070 -0.403 0.000 2.486 455 H HA 0.393 4.950 4.556 0.001 0.000 0.287 455 H C 2.081 177.315 175.328 -0.156 0.000 1.010 455 H CA 1.537 57.434 56.048 -0.251 0.000 1.324 455 H CB 0.324 30.028 29.762 -0.097 0.000 1.446 455 H HN 0.657 nan 8.280 nan 0.000 0.537 456 A N 0.183 122.995 122.820 -0.014 0.000 2.066 456 A HA 0.111 4.432 4.320 0.001 0.000 0.218 456 A C 0.670 178.217 177.584 -0.061 0.000 1.157 456 A CA 0.455 52.476 52.037 -0.027 0.000 0.670 456 A CB -0.158 18.831 19.000 -0.019 0.000 0.804 456 A HN 0.203 nan 8.150 nan 0.000 0.453 457 L N 0.692 121.853 121.223 -0.103 0.000 2.334 457 L HA 0.371 4.711 4.340 0.001 0.000 0.272 457 L C -0.037 176.759 176.870 -0.123 0.000 1.020 457 L CA -0.985 53.794 54.840 -0.102 0.000 0.812 457 L CB 1.515 43.505 42.059 -0.117 0.000 1.264 457 L HN 0.504 nan 8.230 nan 0.000 0.439 458 N N 1.227 119.878 118.700 -0.082 0.000 3.091 458 N HA 0.222 4.963 4.740 0.001 0.000 0.329 458 N C 0.200 175.683 175.510 -0.044 0.000 1.430 458 N CA -0.809 52.197 53.050 -0.074 0.000 0.755 458 N CB 0.479 38.937 38.487 -0.048 0.000 1.626 458 N HN 0.410 nan 8.380 nan 0.000 0.614 459 L N 0.536 121.745 121.223 -0.024 0.000 2.056 459 L HA 0.051 4.392 4.340 0.001 0.000 0.207 459 L C 1.846 178.736 176.870 0.033 0.000 1.078 459 L CA 1.699 56.544 54.840 0.007 0.000 0.749 459 L CB -1.136 40.933 42.059 0.017 0.000 0.901 459 L HN 0.788 nan 8.230 nan 0.000 0.433 460 N N -0.804 117.915 118.700 0.033 0.000 2.149 460 N HA -0.224 4.516 4.740 0.001 0.000 0.188 460 N C 1.180 176.736 175.510 0.076 0.000 1.019 460 N CA 1.573 54.655 53.050 0.054 0.000 0.857 460 N CB 0.005 38.519 38.487 0.045 0.000 0.997 460 N HN 0.441 nan 8.380 nan 0.000 0.426 461 D N 0.423 120.859 120.400 0.060 0.000 2.144 461 D HA -0.115 4.525 4.640 0.001 0.000 0.200 461 D C 2.019 178.393 176.300 0.124 0.000 0.978 461 D CA 0.799 54.848 54.000 0.081 0.000 0.833 461 D CB -0.146 40.676 40.800 0.037 0.000 0.961 461 D HN 0.346 nan 8.370 nan 0.000 0.470 462 M N 0.408 120.061 119.600 0.088 0.000 2.175 462 M HA -0.015 4.465 4.480 0.001 0.000 0.264 462 M C 2.113 178.545 176.300 0.220 0.000 1.063 462 M CA 1.046 56.422 55.300 0.127 0.000 1.119 462 M CB -0.774 31.853 32.600 0.044 0.000 1.377 462 M HN -0.011 nan 8.290 nan 0.000 0.415 463 R N -0.089 120.506 120.500 0.158 0.000 2.096 463 R HA -0.143 4.197 4.340 0.001 0.000 0.235 463 R C 2.202 178.608 176.300 0.177 0.000 1.127 463 R CA 1.227 57.419 56.100 0.155 0.000 0.968 463 R CB -0.319 30.050 30.300 0.115 0.000 0.861 463 R HN 0.549 nan 8.270 nan 0.000 0.440 464 Q N -0.487 119.425 119.800 0.186 0.000 2.167 464 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 464 Q C 1.742 177.877 176.000 0.226 0.000 0.970 464 Q CA 1.278 57.200 55.803 0.198 0.000 0.855 464 Q CB -0.076 28.781 28.738 0.197 0.000 0.911 464 Q HN 0.312 nan 8.270 nan 0.000 0.438 465 F N 0.820 120.845 119.950 0.126 0.000 2.098 465 F HA -0.112 4.416 4.527 0.000 0.000 0.294 465 F C 2.146 178.094 175.800 0.248 0.000 1.107 465 F CA 1.294 59.397 58.000 0.173 0.000 1.234 465 F CB -0.237 38.828 39.000 0.109 0.000 1.002 465 F HN -0.012 nan 8.300 nan 0.000 0.472 466 A N -0.012 122.954 122.820 0.244 0.000 1.933 466 A HA -0.194 4.126 4.320 0.001 0.000 0.218 466 A C 2.087 179.730 177.584 0.098 0.000 1.175 466 A CA 1.923 54.046 52.037 0.143 0.000 0.628 466 A CB -0.884 18.235 19.000 0.198 0.000 0.814 466 A HN 0.586 nan 8.150 nan 0.000 0.444 467 E N -0.863 119.407 120.200 0.116 0.000 2.028 467 E HA -0.146 4.204 4.350 0.001 0.000 0.191 467 E C 2.086 178.710 176.600 0.040 0.000 0.988 467 E CA 1.215 57.678 56.400 0.105 0.000 0.799 467 E CB -0.220 29.552 29.700 0.121 0.000 0.755 467 E HN 0.457 nan 8.360 nan 0.000 0.447 468 M N 0.068 119.663 119.600 -0.009 0.000 2.192 468 M HA -0.198 4.282 4.480 0.001 0.000 0.259 468 M C 1.186 177.252 176.300 -0.389 0.000 1.071 468 M CA 1.748 56.946 55.300 -0.171 0.000 1.082 468 M CB -0.612 31.854 32.600 -0.224 0.000 1.373 468 M HN 0.224 nan 8.290 nan 0.000 0.408 469 H N -1.682 117.252 119.070 -0.228 0.000 2.652 469 H HA 0.100 4.656 4.556 0.000 0.000 0.274 469 H C -0.107 175.137 175.328 -0.141 0.000 1.021 469 H CA -0.171 55.724 56.048 -0.255 0.000 1.187 469 H CB 0.143 29.691 29.762 -0.358 0.000 1.505 469 H HN 0.196 nan 8.280 nan 0.000 0.530 470 D N 0.985 121.418 120.400 0.054 0.000 2.697 470 D HA -0.173 4.468 4.640 0.001 0.000 0.238 470 D C -0.502 175.939 176.300 0.235 0.000 1.152 470 D CA 0.686 54.787 54.000 0.169 0.000 0.666 470 D CB -1.307 39.570 40.800 0.128 0.000 1.037 470 D HN 0.657 nan 8.370 nan 0.000 0.423 471 I N -2.872 117.784 120.570 0.143 0.000 2.740 471 I HA 0.518 4.689 4.170 0.001 0.000 0.303 471 I C 0.357 176.352 176.117 -0.202 0.000 1.044 471 I CA -1.240 60.044 61.300 -0.025 0.000 1.064 471 I CB 1.783 39.832 38.000 0.083 0.000 1.249 471 I HN -0.043 nan 8.210 nan 0.000 0.433 472 E N 3.420 123.228 120.200 -0.653 0.000 2.417 472 E HA 0.141 4.491 4.350 0.001 0.000 0.261 472 E C -1.133 175.377 176.600 -0.149 0.000 1.000 472 E CA -0.318 55.759 56.400 -0.537 0.000 0.919 472 E CB 1.034 30.365 29.700 -0.615 0.000 0.955 472 E HN 0.582 nan 8.360 nan 0.000 0.455 473 I N 4.271 124.824 120.570 -0.028 0.000 2.331 473 I HA 0.111 4.281 4.170 0.001 0.000 0.292 473 I C -0.557 175.558 176.117 -0.003 0.000 0.998 473 I CA 0.076 61.389 61.300 0.022 0.000 1.267 473 I CB 1.507 39.555 38.000 0.080 0.000 1.386 473 I HN 0.340 nan 8.210 nan 0.000 0.476 474 T N 6.841 121.386 114.554 -0.015 0.000 2.743 474 T HA 0.476 4.826 4.350 0.001 0.000 0.292 474 T C -0.458 174.308 174.700 0.111 0.000 0.972 474 T CA -0.366 61.734 62.100 0.001 0.000 0.967 474 T CB 0.837 69.673 68.868 -0.053 0.000 0.926 474 T HN 0.264 nan 8.240 nan 0.000 0.459 475 V N 5.675 125.699 119.914 0.183 0.000 2.547 475 V HA 0.586 4.707 4.120 0.001 0.000 0.299 475 V C -0.132 176.116 176.094 0.257 0.000 1.040 475 V CA -0.834 61.579 62.300 0.188 0.000 0.913 475 V CB 1.522 33.428 31.823 0.139 0.000 0.992 475 V HN 0.762 nan 8.190 nan 0.000 0.449 476 I N 4.473 125.148 120.570 0.174 0.000 2.500 476 I HA 0.621 4.792 4.170 0.001 0.000 0.286 476 I C -1.216 174.952 176.117 0.085 0.000 1.063 476 I CA -0.424 60.948 61.300 0.119 0.000 1.062 476 I CB 1.864 39.937 38.000 0.122 0.000 1.223 476 I HN 0.800 nan 8.210 nan 0.000 0.435 477 D N 3.065 123.502 120.400 0.063 0.000 2.768 477 D HA 0.224 4.864 4.640 0.001 0.000 0.327 477 D C 0.279 176.602 176.300 0.038 0.000 1.302 477 D CA -0.685 53.343 54.000 0.048 0.000 0.897 477 D CB 0.351 41.180 40.800 0.048 0.000 1.420 477 D HN 0.133 nan 8.370 nan 0.000 0.494 478 N N 0.037 118.757 118.700 0.033 0.000 2.096 478 N HA -0.173 4.568 4.740 0.001 0.000 0.195 478 N C 0.710 176.239 175.510 0.032 0.000 1.017 478 N CA 1.555 54.623 53.050 0.029 0.000 0.870 478 N CB -0.338 38.165 38.487 0.027 0.000 1.024 478 N HN 0.485 nan 8.380 nan 0.000 0.434 479 D N 0.323 120.748 120.400 0.040 0.000 2.312 479 D HA -0.044 4.596 4.640 0.001 0.000 0.211 479 D C -0.042 176.292 176.300 0.056 0.000 0.964 479 D CA 0.488 54.517 54.000 0.048 0.000 0.877 479 D CB -0.169 40.663 40.800 0.054 0.000 0.924 479 D HN 0.212 nan 8.370 nan 0.000 0.515 480 T N 2.195 116.782 114.554 0.054 0.000 2.758 480 T HA 0.078 4.428 4.350 0.001 0.000 0.281 480 T C 0.448 175.168 174.700 0.034 0.000 0.963 480 T CA 0.160 62.293 62.100 0.056 0.000 1.201 480 T CB 0.430 69.297 68.868 -0.003 0.000 0.906 480 T HN -0.095 nan 8.240 nan 0.000 0.528 481 R N 2.770 123.310 120.500 0.067 0.000 2.387 481 R HA 0.439 4.780 4.340 0.001 0.000 0.314 481 R C 1.182 177.532 176.300 0.083 0.000 0.958 481 R CA -0.693 55.439 56.100 0.053 0.000 0.846 481 R CB 0.720 31.054 30.300 0.057 0.000 1.147 481 R HN 0.536 nan 8.270 nan 0.000 0.447 482 L N 4.454 125.704 121.223 0.044 0.000 1.989 482 L HA -0.113 4.227 4.340 0.001 0.000 0.211 482 L C -0.744 176.196 176.870 0.117 0.000 1.071 482 L CA 1.584 56.469 54.840 0.075 0.000 0.749 482 L CB -0.764 41.306 42.059 0.017 0.000 0.890 482 L HN 0.546 nan 8.230 nan 0.000 0.431 483 P HA -0.184 nan 4.420 nan 0.000 0.216 483 P C 1.267 178.566 177.300 -0.002 0.000 1.150 483 P CA 1.817 64.933 63.100 0.026 0.000 0.843 483 P CB -0.025 31.687 31.700 0.020 0.000 0.787 484 A N -1.512 121.329 122.820 0.033 0.000 1.929 484 A HA -0.132 4.189 4.320 0.001 0.000 0.216 484 A C 2.062 179.645 177.584 -0.003 0.000 1.176 484 A CA 0.867 52.908 52.037 0.007 0.000 0.628 484 A CB -1.728 17.312 19.000 0.067 0.000 0.816 484 A HN 0.118 nan 8.150 nan 0.000 0.444 485 F N 1.100 121.014 119.950 -0.061 0.000 2.095 485 F HA -0.199 4.328 4.527 0.000 0.000 0.298 485 F C 2.178 177.916 175.800 -0.103 0.000 1.104 485 F CA 2.250 60.217 58.000 -0.055 0.000 1.232 485 F CB -0.083 38.904 39.000 -0.021 0.000 0.987 485 F HN 0.117 nan 8.300 nan 0.000 0.475 486 K N -0.158 120.248 120.400 0.011 0.000 2.057 486 K HA -0.164 4.156 4.320 0.001 0.000 0.206 486 K C 1.774 178.174 176.600 -0.333 0.000 1.050 486 K CA 1.488 57.699 56.287 -0.126 0.000 0.935 486 K CB -0.417 32.062 32.500 -0.035 0.000 0.715 486 K HN 0.267 nan 8.250 nan 0.000 0.439 487 D N 1.055 121.191 120.400 -0.439 0.000 2.092 487 D HA -0.167 4.473 4.640 0.001 0.000 0.193 487 D C 1.890 177.575 176.300 -1.024 0.000 0.994 487 D CA 1.550 54.984 54.000 -0.943 0.000 0.828 487 D CB -0.252 39.874 40.800 -1.124 0.000 0.963 487 D HN 0.198 nan 8.370 nan 0.000 0.450 488 A N 0.710 123.203 122.820 -0.545 0.000 1.972 488 A HA -0.123 4.197 4.320 0.001 0.000 0.219 488 A C 2.444 179.884 177.584 -0.241 0.000 1.169 488 A CA 0.811 52.707 52.037 -0.235 0.000 0.635 488 A CB -0.747 18.178 19.000 -0.125 0.000 0.810 488 A HN 0.213 nan 8.150 nan 0.000 0.446 489 L N -1.299 119.699 121.223 -0.374 0.000 2.042 489 L HA -0.237 4.104 4.340 0.001 0.000 0.210 489 L C 2.929 179.690 176.870 -0.182 0.000 1.076 489 L CA 1.732 56.395 54.840 -0.296 0.000 0.749 489 L CB -0.432 41.428 42.059 -0.332 0.000 0.893 489 L HN 0.394 nan 8.230 nan 0.000 0.432 490 R N -1.095 119.251 120.500 -0.257 0.000 2.062 490 R HA -0.170 4.170 4.340 0.001 0.000 0.231 490 R C 2.184 178.498 176.300 0.023 0.000 1.136 490 R CA 1.653 57.653 56.100 -0.168 0.000 0.948 490 R CB -0.252 29.871 30.300 -0.296 0.000 0.845 490 R HN 0.343 nan 8.270 nan 0.000 0.430 491 W N 1.166 122.457 121.300 -0.015 0.000 2.388 491 W HA -0.030 4.630 4.660 0.000 0.000 0.294 491 W C 1.720 178.255 176.519 0.027 0.000 1.212 491 W CA 0.322 57.666 57.345 -0.001 0.000 1.271 491 W CB -1.002 28.451 29.460 -0.012 0.000 1.126 491 W HN 0.152 nan 8.180 nan 0.000 0.535 492 N N 0.661 119.514 118.700 0.255 0.000 2.084 492 N HA -0.186 4.554 4.740 0.001 0.000 0.190 492 N C 1.596 177.268 175.510 0.270 0.000 1.030 492 N CA 1.830 55.058 53.050 0.295 0.000 0.849 492 N CB -0.796 37.836 38.487 0.241 0.000 1.012 492 N HN 0.134 nan 8.380 nan 0.000 0.423 493 E N 0.857 121.131 120.200 0.124 0.000 2.086 493 E HA -0.147 4.203 4.350 0.001 0.000 0.200 493 E C 1.798 178.406 176.600 0.013 0.000 1.012 493 E CA 1.084 57.517 56.400 0.056 0.000 0.812 493 E CB -0.492 29.213 29.700 0.008 0.000 0.743 493 E HN 0.117 nan 8.360 nan 0.000 0.453 494 V N -0.330 119.596 119.914 0.019 0.000 2.719 494 V HA -0.124 3.996 4.120 0.001 0.000 0.252 494 V C 1.811 177.722 176.094 -0.304 0.000 1.065 494 V CA 1.748 63.997 62.300 -0.086 0.000 1.086 494 V CB -0.506 31.332 31.823 0.026 0.000 0.700 494 V HN 0.514 nan 8.190 nan 0.000 0.467 495 Y N 0.637 120.771 120.300 -0.277 0.000 2.092 495 Y HA -0.225 4.325 4.550 0.000 0.000 0.282 495 Y C 2.080 177.565 175.900 -0.691 0.000 1.126 495 Y CA 2.200 60.012 58.100 -0.480 0.000 1.111 495 Y CB -0.640 37.592 38.460 -0.380 0.000 0.987 495 Y HN 0.411 nan 8.280 nan 0.000 0.489 496 Y N 0.064 120.163 120.300 -0.335 0.000 2.616 496 Y HA 0.125 4.676 4.550 0.001 0.000 0.296 496 Y C 1.996 177.669 175.900 -0.377 0.000 1.154 496 Y CA 0.482 58.370 58.100 -0.353 0.000 1.325 496 Y CB -0.549 37.862 38.460 -0.082 0.000 1.007 496 Y HN 0.216 nan 8.280 nan 0.000 0.542 497 G N 0.896 109.481 108.800 -0.357 0.000 3.353 497 G HA2 0.349 4.309 3.960 0.001 0.000 0.247 497 G HA3 0.349 4.309 3.960 0.001 0.000 0.247 497 G C -0.397 174.340 174.900 -0.271 0.000 1.025 497 G CA 0.142 45.088 45.100 -0.257 0.000 1.863 497 G HN 0.464 nan 8.290 nan 0.000 0.635 498 F N 0.000 119.900 119.950 -0.083 0.000 2.286 498 F HA 0.000 4.527 4.527 0.000 0.000 0.279 498 F CA 0.000 57.934 58.000 -0.109 0.000 1.383 498 F CB 0.000 38.939 39.000 -0.102 0.000 1.145 498 F HN 0.000 nan 8.300 nan 0.000 0.574