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 2a65_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPPXX TDPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHESAG T 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.022 176.300 -0.463 0.000 0.893 5 R CA 0.000 55.942 56.100 -0.263 0.000 0.921 5 R CB 0.000 30.139 30.300 -0.269 0.000 0.687 6 E N 1.679 121.664 120.200 -0.359 0.000 2.408 6 E HA 0.111 4.464 4.350 0.005 0.000 0.259 6 E C -0.766 175.484 176.600 -0.583 0.000 1.110 6 E CA 0.357 56.501 56.400 -0.426 0.000 0.929 6 E CB 0.637 30.037 29.700 -0.500 0.000 0.971 6 E HN 0.423 nan 8.360 nan 0.000 0.438 7 H N -0.471 118.479 119.070 -0.199 0.000 2.961 7 H HA 0.198 4.757 4.556 0.005 0.000 0.371 7 H C -1.153 174.038 175.328 -0.228 0.000 1.190 7 H CA -0.894 55.062 56.048 -0.153 0.000 1.138 7 H CB 0.837 30.593 29.762 -0.010 0.000 1.816 7 H HN 0.430 nan 8.280 nan 0.000 0.551 8 W N 1.393 122.774 121.300 0.134 0.000 2.251 8 W HA 0.274 4.937 4.660 0.005 0.000 0.327 8 W C 1.097 177.643 176.519 0.044 0.000 1.361 8 W CA 0.062 57.427 57.345 0.033 0.000 1.234 8 W CB 0.472 29.954 29.460 0.037 0.000 1.212 8 W HN 0.783 nan 8.180 nan 0.000 0.557 9 A N 2.392 125.346 122.820 0.224 0.000 1.872 9 A HA -0.016 4.307 4.320 0.005 0.000 0.214 9 A C 1.113 178.776 177.584 0.132 0.000 1.187 9 A CA 1.754 53.872 52.037 0.134 0.000 0.614 9 A CB -0.785 18.264 19.000 0.082 0.000 0.826 9 A HN 0.561 nan 8.150 nan 0.000 0.442 10 T N -5.113 109.528 114.554 0.144 0.000 2.930 10 T HA 0.565 4.918 4.350 0.005 0.000 0.290 10 T C 0.447 175.201 174.700 0.089 0.000 1.052 10 T CA -0.443 61.715 62.100 0.097 0.000 1.017 10 T CB 1.894 70.800 68.868 0.064 0.000 1.137 10 T HN 0.107 nan 8.240 nan 0.000 0.511 11 R N 0.012 120.546 120.500 0.057 0.000 2.075 11 R HA 0.084 4.426 4.340 0.005 0.000 0.232 11 R C 2.091 178.394 176.300 0.005 0.000 1.126 11 R CA 1.471 57.593 56.100 0.036 0.000 0.963 11 R CB -1.390 28.926 30.300 0.028 0.000 0.858 11 R HN 0.629 nan 8.270 nan 0.000 0.435 12 L N 0.004 121.230 121.223 0.004 0.000 2.046 12 L HA 0.092 4.434 4.340 0.005 0.000 0.208 12 L C 2.038 178.891 176.870 -0.028 0.000 1.077 12 L CA 2.375 57.207 54.840 -0.013 0.000 0.747 12 L CB -1.182 40.873 42.059 -0.007 0.000 0.896 12 L HN 0.300 nan 8.230 nan 0.000 0.432 13 G N -0.300 108.497 108.800 -0.005 0.000 2.440 13 G HA2 -0.296 3.667 3.960 0.005 0.000 0.218 13 G HA3 -0.296 3.667 3.960 0.005 0.000 0.218 13 G C 1.575 176.392 174.900 -0.138 0.000 1.154 13 G CA 1.007 46.105 45.100 -0.003 0.000 0.767 13 G HN 0.445 nan 8.290 nan 0.000 0.552 14 L N 0.753 121.850 121.223 -0.211 0.000 2.017 14 L HA -0.025 4.318 4.340 0.005 0.000 0.208 14 L C 2.539 179.180 176.870 -0.381 0.000 1.073 14 L CA 1.469 55.946 54.840 -0.605 0.000 0.745 14 L CB -0.417 41.408 42.059 -0.390 0.000 0.894 14 L HN 0.106 nan 8.230 nan 0.000 0.432 15 I N -0.323 120.167 120.570 -0.133 0.000 2.179 15 I HA -0.286 3.887 4.170 0.005 0.000 0.242 15 I C 2.603 178.687 176.117 -0.055 0.000 1.088 15 I CA 1.496 62.775 61.300 -0.035 0.000 1.357 15 I CB -1.257 36.732 38.000 -0.019 0.000 1.051 15 I HN 0.338 nan 8.210 nan 0.000 0.409 16 L N 0.382 121.558 121.223 -0.078 0.000 2.141 16 L HA -0.123 4.220 4.340 0.005 0.000 0.209 16 L C 2.743 179.580 176.870 -0.056 0.000 1.094 16 L CA 1.069 55.874 54.840 -0.059 0.000 0.763 16 L CB -0.656 41.370 42.059 -0.055 0.000 0.908 16 L HN 0.172 nan 8.230 nan 0.000 0.437 17 A N -0.340 122.404 122.820 -0.126 0.000 1.898 17 A HA -0.165 4.158 4.320 0.005 0.000 0.216 17 A C 2.327 179.950 177.584 0.065 0.000 1.181 17 A CA 1.225 53.222 52.037 -0.067 0.000 0.620 17 A CB -0.283 18.504 19.000 -0.354 0.000 0.819 17 A HN 0.227 nan 8.150 nan 0.000 0.442 18 M N -0.471 119.102 119.600 -0.045 0.000 2.175 18 M HA -0.071 4.412 4.480 0.005 0.000 0.264 18 M C 2.491 178.814 176.300 0.038 0.000 1.063 18 M CA 1.491 56.816 55.300 0.041 0.000 1.119 18 M CB -1.226 31.429 32.600 0.093 0.000 1.377 18 M HN 0.494 nan 8.290 nan 0.000 0.415 19 A N 0.072 122.910 122.820 0.029 0.000 1.930 19 A HA 0.008 4.331 4.320 0.005 0.000 0.217 19 A C 2.356 179.950 177.584 0.016 0.000 1.175 19 A CA 1.839 53.889 52.037 0.022 0.000 0.627 19 A CB -1.261 17.743 19.000 0.008 0.000 0.815 19 A HN 0.520 nan 8.150 nan 0.000 0.443 20 G N -0.100 108.713 108.800 0.022 0.000 2.448 20 G HA2 -0.237 3.725 3.960 0.005 0.000 0.218 20 G HA3 -0.237 3.725 3.960 0.005 0.000 0.218 20 G C 1.514 176.412 174.900 -0.003 0.000 1.135 20 G CA 1.010 46.126 45.100 0.027 0.000 0.784 20 G HN 0.546 nan 8.290 nan 0.000 0.543 21 N N 1.657 120.336 118.700 -0.035 0.000 2.084 21 N HA -0.081 4.662 4.740 0.005 0.000 0.190 21 N C 2.428 177.821 175.510 -0.195 0.000 1.030 21 N CA 1.715 54.647 53.050 -0.196 0.000 0.849 21 N CB -0.404 37.867 38.487 -0.360 0.000 1.012 21 N HN 0.229 nan 8.380 nan 0.000 0.423 22 A N 1.033 123.785 122.820 -0.113 0.000 1.854 22 A HA 0.092 4.415 4.320 0.005 0.000 0.214 22 A C 1.016 178.579 177.584 -0.035 0.000 1.192 22 A CA 0.550 52.536 52.037 -0.085 0.000 0.611 22 A CB -0.683 18.300 19.000 -0.028 0.000 0.832 22 A HN 0.086 nan 8.150 nan 0.000 0.442 23 V N 0.897 120.817 119.914 0.009 0.000 2.403 23 V HA 0.491 4.614 4.120 0.005 0.000 0.265 23 V C 0.827 176.995 176.094 0.123 0.000 1.034 23 V CA 0.448 62.786 62.300 0.063 0.000 1.036 23 V CB -0.285 31.599 31.823 0.101 0.000 1.032 23 V HN 0.645 nan 8.190 nan 0.000 0.478 24 G N 3.001 111.900 108.800 0.166 0.000 2.896 24 G HA2 0.411 4.374 3.960 0.005 0.000 0.247 24 G HA3 0.411 4.374 3.960 0.005 0.000 0.247 24 G C 0.317 175.417 174.900 0.332 0.000 1.187 24 G CA -0.786 44.468 45.100 0.256 0.000 0.837 24 G HN 0.438 nan 8.290 nan 0.000 0.559 25 L N 1.065 122.490 121.223 0.337 0.000 2.265 25 L HA 0.031 4.374 4.340 0.005 0.000 0.215 25 L C 2.916 179.978 176.870 0.320 0.000 1.117 25 L CA 1.261 56.247 54.840 0.244 0.000 0.782 25 L CB -0.506 41.559 42.059 0.010 0.000 0.914 25 L HN 0.623 nan 8.230 nan 0.000 0.441 26 G N 0.259 109.343 108.800 0.472 0.000 2.432 26 G HA2 -0.244 3.719 3.960 0.005 0.000 0.219 26 G HA3 -0.244 3.719 3.960 0.005 0.000 0.219 26 G C 1.308 176.359 174.900 0.252 0.000 1.135 26 G CA 0.829 46.219 45.100 0.483 0.000 0.767 26 G HN 0.397 nan 8.290 nan 0.000 0.550 27 N N 0.092 118.844 118.700 0.086 0.000 2.171 27 N HA 0.030 4.772 4.740 0.005 0.000 0.184 27 N C 1.503 176.819 175.510 -0.324 0.000 1.021 27 N CA 0.920 53.829 53.050 -0.234 0.000 0.854 27 N CB -0.250 37.877 38.487 -0.600 0.000 0.994 27 N HN 0.373 nan 8.380 nan 0.000 0.426 28 F N -0.496 119.548 119.950 0.158 0.000 2.656 28 F HA 0.341 4.870 4.527 0.004 0.000 0.291 28 F C 1.634 177.563 175.800 0.215 0.000 1.122 28 F CA 0.242 58.352 58.000 0.183 0.000 1.427 28 F CB 0.149 39.170 39.000 0.036 0.000 1.125 28 F HN -0.062 nan 8.300 nan 0.000 0.583 29 L N -1.373 120.017 121.223 0.278 0.000 2.515 29 L HA 0.192 4.534 4.340 0.005 0.000 0.202 29 L C 2.414 179.345 176.870 0.102 0.000 1.056 29 L CA 0.276 55.240 54.840 0.208 0.000 0.847 29 L CB -0.279 41.898 42.059 0.198 0.000 1.131 29 L HN -0.141 nan 8.230 nan 0.000 0.484 30 R N 0.120 120.667 120.500 0.078 0.000 2.057 30 R HA -0.158 4.184 4.340 0.005 0.000 0.229 30 R C 2.385 178.678 176.300 -0.011 0.000 1.136 30 R CA 1.603 57.689 56.100 -0.025 0.000 0.952 30 R CB -0.299 29.941 30.300 -0.099 0.000 0.848 30 R HN 0.122 nan 8.270 nan 0.000 0.430 31 F N 1.999 121.919 119.950 -0.050 0.000 2.091 31 F HA -0.105 4.424 4.527 0.004 0.000 0.299 31 F C -1.204 174.488 175.800 -0.181 0.000 1.103 31 F CA 1.398 59.338 58.000 -0.099 0.000 1.228 31 F CB -0.996 37.950 39.000 -0.090 0.000 0.984 31 F HN 0.062 nan 8.300 nan 0.000 0.477 32 P HA -0.170 nan 4.420 nan 0.000 0.215 32 P C 2.122 179.214 177.300 -0.346 0.000 1.153 32 P CA 1.961 64.894 63.100 -0.278 0.000 0.853 32 P CB -0.072 31.618 31.700 -0.017 0.000 0.788 33 V N -0.242 119.518 119.914 -0.258 0.000 2.307 33 V HA -0.244 3.879 4.120 0.005 0.000 0.245 33 V C 2.545 178.405 176.094 -0.390 0.000 1.045 33 V CA 1.719 63.865 62.300 -0.257 0.000 1.024 33 V CB -1.153 30.555 31.823 -0.193 0.000 0.651 33 V HN 0.124 nan 8.190 nan 0.000 0.449 34 Q N 0.022 119.521 119.800 -0.503 0.000 2.084 34 Q HA -0.154 4.189 4.340 0.005 0.000 0.202 34 Q C 2.427 177.693 176.000 -1.223 0.000 0.978 34 Q CA 2.041 57.410 55.803 -0.724 0.000 0.844 34 Q CB -0.773 27.584 28.738 -0.634 0.000 0.898 34 Q HN 0.646 nan 8.270 nan 0.000 0.426 35 A N 1.001 123.002 122.820 -1.365 0.000 1.898 35 A HA -0.029 4.294 4.320 0.005 0.000 0.216 35 A C 2.337 179.532 177.584 -0.648 0.000 1.181 35 A CA 1.860 53.131 52.037 -1.277 0.000 0.620 35 A CB -0.660 17.607 19.000 -1.222 0.000 0.819 35 A HN 0.359 nan 8.150 nan 0.000 0.442 36 A N -0.101 122.474 122.820 -0.408 0.000 1.898 36 A HA -0.152 4.171 4.320 0.005 0.000 0.216 36 A C 1.880 179.414 177.584 -0.083 0.000 1.181 36 A CA 1.552 53.551 52.037 -0.065 0.000 0.620 36 A CB -0.515 18.446 19.000 -0.065 0.000 0.819 36 A HN 0.624 nan 8.150 nan 0.000 0.442 37 E N 0.003 120.074 120.200 -0.215 0.000 2.268 37 E HA -0.078 4.275 4.350 0.005 0.000 0.195 37 E C 0.207 176.716 176.600 -0.151 0.000 0.995 37 E CA 0.620 56.919 56.400 -0.168 0.000 0.836 37 E CB -0.080 29.502 29.700 -0.197 0.000 0.763 37 E HN 0.511 nan 8.360 nan 0.000 0.491 38 N N -0.021 118.542 118.700 -0.229 0.000 2.453 38 N HA 0.082 4.825 4.740 0.005 0.000 0.270 38 N C 0.251 175.701 175.510 -0.100 0.000 1.195 38 N CA 0.457 53.421 53.050 -0.144 0.000 0.902 38 N CB 1.459 39.870 38.487 -0.126 0.000 1.186 38 N HN 0.182 nan 8.380 nan 0.000 0.510 39 G N 0.504 109.265 108.800 -0.064 0.000 2.147 39 G HA2 -0.306 3.657 3.960 0.005 0.000 0.244 39 G HA3 -0.306 3.657 3.960 0.005 0.000 0.244 39 G C 1.024 175.701 174.900 -0.371 0.000 1.005 39 G CA 0.608 45.668 45.100 -0.066 0.000 0.713 39 G HN 0.657 nan 8.290 nan 0.000 0.515 40 G N -0.126 108.339 108.800 -0.557 0.000 2.952 40 G HA2 -0.125 3.838 3.960 0.005 0.000 0.346 40 G HA3 -0.125 3.838 3.960 0.005 0.000 0.346 40 G C 2.225 176.744 174.900 -0.636 0.000 1.191 40 G CA 2.211 46.715 45.100 -0.993 0.000 0.961 40 G HN 1.970 nan 8.290 nan 0.000 0.588 41 G N 0.571 108.976 108.800 -0.659 0.000 2.450 41 G HA2 0.181 4.144 3.960 0.005 0.000 0.220 41 G HA3 0.181 4.144 3.960 0.005 0.000 0.220 41 G C 2.038 176.756 174.900 -0.303 0.000 1.130 41 G CA 2.702 47.555 45.100 -0.412 0.000 0.760 41 G HN 1.784 nan 8.290 nan 0.000 0.557 42 A N -0.172 122.488 122.820 -0.267 0.000 2.121 42 A HA 0.209 4.532 4.320 0.005 0.000 0.218 42 A C 1.990 179.480 177.584 -0.157 0.000 1.154 42 A CA 1.172 53.090 52.037 -0.198 0.000 0.679 42 A CB -0.353 18.564 19.000 -0.137 0.000 0.795 42 A HN 0.428 nan 8.150 nan 0.000 0.458 43 F N -0.374 119.384 119.950 -0.320 0.000 2.387 43 F HA 0.020 4.549 4.527 0.003 0.000 0.294 43 F C 1.992 177.648 175.800 -0.239 0.000 1.093 43 F CA 1.010 58.832 58.000 -0.297 0.000 1.420 43 F CB -0.055 38.740 39.000 -0.342 0.000 1.086 43 F HN 0.054 nan 8.300 nan 0.000 0.531 44 M N 0.215 119.669 119.600 -0.245 0.000 2.213 44 M HA -0.175 4.307 4.480 0.005 0.000 0.263 44 M C 2.164 178.375 176.300 -0.149 0.000 1.062 44 M CA 1.089 56.250 55.300 -0.232 0.000 1.105 44 M CB -1.146 31.298 32.600 -0.260 0.000 1.385 44 M HN 0.159 nan 8.290 nan 0.000 0.417 45 I N 0.397 120.859 120.570 -0.179 0.000 2.113 45 I HA -0.175 3.997 4.170 0.005 0.000 0.238 45 I C -0.334 175.651 176.117 -0.220 0.000 1.070 45 I CA 1.627 62.863 61.300 -0.106 0.000 1.332 45 I CB -2.823 35.148 38.000 -0.049 0.000 1.044 45 I HN 0.110 nan 8.210 nan 0.000 0.402 46 P HA -0.199 nan 4.420 nan 0.000 0.217 46 P C 1.889 178.930 177.300 -0.431 0.000 1.150 46 P CA 1.319 63.865 63.100 -0.922 0.000 0.832 46 P CB -0.211 30.599 31.700 -1.483 0.000 0.787 47 Y N 0.312 120.265 120.300 -0.579 0.000 2.128 47 Y HA -0.200 4.353 4.550 0.005 0.000 0.284 47 Y C 2.061 177.893 175.900 -0.113 0.000 1.154 47 Y CA 1.561 59.408 58.100 -0.422 0.000 1.149 47 Y CB -0.895 37.215 38.460 -0.582 0.000 0.976 47 Y HN -0.180 nan 8.280 nan 0.000 0.505 48 I N -0.293 120.291 120.570 0.023 0.000 2.226 48 I HA -0.317 3.856 4.170 0.005 0.000 0.245 48 I C 2.249 178.412 176.117 0.076 0.000 1.100 48 I CA 1.439 62.784 61.300 0.075 0.000 1.374 48 I CB -0.362 37.723 38.000 0.142 0.000 1.057 48 I HN 0.257 nan 8.210 nan 0.000 0.413 49 I N 0.745 121.348 120.570 0.054 0.000 2.252 49 I HA -0.261 3.912 4.170 0.005 0.000 0.245 49 I C 2.779 178.916 176.117 0.033 0.000 1.102 49 I CA 1.257 62.610 61.300 0.089 0.000 1.385 49 I CB -0.447 37.691 38.000 0.230 0.000 1.064 49 I HN 0.170 nan 8.210 nan 0.000 0.414 50 A N 0.616 123.468 122.820 0.054 0.000 1.933 50 A HA -0.246 4.077 4.320 0.005 0.000 0.218 50 A C 2.207 179.764 177.584 -0.045 0.000 1.175 50 A CA 1.288 53.360 52.037 0.057 0.000 0.628 50 A CB -0.877 18.212 19.000 0.148 0.000 0.814 50 A HN 0.449 nan 8.150 nan 0.000 0.444 51 F N 0.681 120.483 119.950 -0.246 0.000 2.134 51 F HA -0.125 4.405 4.527 0.005 0.000 0.299 51 F C 1.841 177.544 175.800 -0.161 0.000 1.097 51 F CA 1.679 59.521 58.000 -0.263 0.000 1.264 51 F CB -0.303 38.512 39.000 -0.309 0.000 1.001 51 F HN 0.141 nan 8.300 nan 0.000 0.479 52 L N -0.496 120.627 121.223 -0.167 0.000 2.109 52 L HA -0.152 4.191 4.340 0.005 0.000 0.207 52 L C 2.205 179.031 176.870 -0.073 0.000 1.086 52 L CA 0.981 55.732 54.840 -0.148 0.000 0.760 52 L CB -0.564 41.501 42.059 0.011 0.000 0.910 52 L HN 0.183 nan 8.230 nan 0.000 0.437 53 L N -1.768 119.375 121.223 -0.133 0.000 2.477 53 L HA 0.036 4.378 4.340 0.005 0.000 0.220 53 L C 1.668 178.441 176.870 -0.161 0.000 1.106 53 L CA -0.008 54.736 54.840 -0.160 0.000 0.851 53 L CB 0.388 42.225 42.059 -0.370 0.000 0.994 53 L HN 0.039 nan 8.230 nan 0.000 0.462 54 V N -1.488 118.318 119.914 -0.180 0.000 3.102 54 V HA 0.204 4.326 4.120 0.005 0.000 0.225 54 V C 2.284 178.196 176.094 -0.303 0.000 1.301 54 V CA 0.935 63.138 62.300 -0.161 0.000 1.308 54 V CB -0.194 31.616 31.823 -0.022 0.000 1.129 54 V HN 0.287 nan 8.190 nan 0.000 0.502 55 G N 1.243 109.834 108.800 -0.348 0.000 2.545 55 G HA2 -0.212 3.751 3.960 0.005 0.000 0.217 55 G HA3 -0.212 3.751 3.960 0.005 0.000 0.217 55 G C 1.463 176.032 174.900 -0.551 0.000 1.218 55 G CA 1.382 46.239 45.100 -0.406 0.000 0.787 55 G HN 0.292 nan 8.290 nan 0.000 0.571 56 I N 2.453 122.523 120.570 -0.833 0.000 2.127 56 I HA -0.099 4.074 4.170 0.005 0.000 0.241 56 I C 0.344 175.938 176.117 -0.872 0.000 1.075 56 I CA 1.397 62.077 61.300 -1.034 0.000 1.334 56 I CB -1.977 35.312 38.000 -1.184 0.000 1.040 56 I HN 0.187 nan 8.210 nan 0.000 0.405 57 P HA -0.162 nan 4.420 nan 0.000 0.215 57 P C 2.267 179.486 177.300 -0.136 0.000 1.153 57 P CA 1.566 64.524 63.100 -0.237 0.000 0.853 57 P CB -0.063 31.579 31.700 -0.097 0.000 0.788 58 L N -1.875 119.231 121.223 -0.195 0.000 2.141 58 L HA -0.121 4.222 4.340 0.005 0.000 0.209 58 L C 2.826 179.652 176.870 -0.072 0.000 1.094 58 L CA 1.111 55.877 54.840 -0.124 0.000 0.763 58 L CB -0.719 41.228 42.059 -0.188 0.000 0.908 58 L HN -0.018 nan 8.230 nan 0.000 0.437 59 M N -0.581 118.917 119.600 -0.169 0.000 2.086 59 M HA -0.236 4.246 4.480 0.005 0.000 0.261 59 M C 1.981 178.342 176.300 0.103 0.000 1.067 59 M CA 1.983 57.245 55.300 -0.062 0.000 1.116 59 M CB -0.508 31.931 32.600 -0.268 0.000 1.348 59 M HN 0.151 nan 8.290 nan 0.000 0.407 60 W N 0.324 121.573 121.300 -0.085 0.000 2.358 60 W HA -0.118 4.545 4.660 0.005 0.000 0.303 60 W C 2.335 178.881 176.519 0.046 0.000 1.208 60 W CA 1.222 58.518 57.345 -0.082 0.000 1.274 60 W CB -1.197 28.158 29.460 -0.175 0.000 1.138 60 W HN 0.273 nan 8.180 nan 0.000 0.515 61 I N 0.199 120.930 120.570 0.268 0.000 2.226 61 I HA -0.295 3.878 4.170 0.005 0.000 0.245 61 I C 2.260 178.371 176.117 -0.010 0.000 1.100 61 I CA 1.499 62.899 61.300 0.167 0.000 1.374 61 I CB -0.487 37.611 38.000 0.163 0.000 1.057 61 I HN -0.027 nan 8.210 nan 0.000 0.413 62 E N -0.287 119.959 120.200 0.077 0.000 2.106 62 E HA -0.226 4.126 4.350 0.005 0.000 0.192 62 E C 2.047 178.709 176.600 0.102 0.000 0.984 62 E CA 1.252 57.681 56.400 0.048 0.000 0.806 62 E CB -0.130 29.615 29.700 0.074 0.000 0.750 62 E HN 0.494 nan 8.360 nan 0.000 0.458 63 W N 1.016 122.322 121.300 0.011 0.000 2.358 63 W HA -0.116 4.546 4.660 0.004 0.000 0.303 63 W C 2.556 179.092 176.519 0.028 0.000 1.208 63 W CA 1.390 58.765 57.345 0.050 0.000 1.274 63 W CB -0.487 29.032 29.460 0.098 0.000 1.138 63 W HN 0.068 nan 8.180 nan 0.000 0.515 64 A N -0.328 122.635 122.820 0.238 0.000 1.877 64 A HA -0.218 4.105 4.320 0.005 0.000 0.216 64 A C 1.948 179.503 177.584 -0.050 0.000 1.186 64 A CA 2.009 54.114 52.037 0.114 0.000 0.620 64 A CB -0.858 18.226 19.000 0.139 0.000 0.822 64 A HN 0.252 nan 8.150 nan 0.000 0.443 65 M N -0.590 118.824 119.600 -0.309 0.000 2.117 65 M HA -0.097 4.386 4.480 0.005 0.000 0.262 65 M C 2.304 178.590 176.300 -0.024 0.000 1.065 65 M CA 1.441 56.551 55.300 -0.317 0.000 1.114 65 M CB -0.594 31.769 32.600 -0.395 0.000 1.361 65 M HN 0.513 nan 8.290 nan 0.000 0.408 66 G N -0.026 108.770 108.800 -0.007 0.000 2.404 66 G HA2 -0.216 3.746 3.960 0.005 0.000 0.215 66 G HA3 -0.216 3.746 3.960 0.005 0.000 0.215 66 G C 1.597 176.519 174.900 0.038 0.000 1.174 66 G CA 0.720 45.822 45.100 0.003 0.000 0.780 66 G HN 0.382 nan 8.290 nan 0.000 0.537 67 R N -1.014 119.547 120.500 0.102 0.000 2.096 67 R HA -0.120 4.223 4.340 0.005 0.000 0.235 67 R C 2.237 178.621 176.300 0.140 0.000 1.127 67 R CA 1.351 57.532 56.100 0.134 0.000 0.968 67 R CB -0.492 29.925 30.300 0.195 0.000 0.861 67 R HN 0.430 nan 8.270 nan 0.000 0.440 68 Y N 0.257 120.580 120.300 0.040 0.000 2.145 68 Y HA -0.085 4.467 4.550 0.005 0.000 0.286 68 Y C 2.115 178.039 175.900 0.041 0.000 1.145 68 Y CA 2.002 60.130 58.100 0.047 0.000 1.148 68 Y CB -0.724 37.753 38.460 0.028 0.000 0.981 68 Y HN 0.147 nan 8.280 nan 0.000 0.507 69 G N -0.796 108.056 108.800 0.085 0.000 2.402 69 G HA2 -0.203 3.759 3.960 0.005 0.000 0.216 69 G HA3 -0.203 3.759 3.960 0.005 0.000 0.216 69 G C 1.905 176.787 174.900 -0.030 0.000 1.162 69 G CA 0.666 45.783 45.100 0.028 0.000 0.777 69 G HN 0.611 nan 8.290 nan 0.000 0.539 70 G N 1.166 109.935 108.800 -0.051 0.000 2.442 70 G HA2 0.016 3.979 3.960 0.005 0.000 0.219 70 G HA3 0.016 3.979 3.960 0.005 0.000 0.219 70 G C 1.994 176.856 174.900 -0.065 0.000 1.141 70 G CA 1.438 46.480 45.100 -0.098 0.000 0.763 70 G HN 0.649 nan 8.290 nan 0.000 0.554 71 A N -0.138 122.653 122.820 -0.049 0.000 2.070 71 A HA -0.010 4.313 4.320 0.005 0.000 0.220 71 A C 2.134 179.666 177.584 -0.086 0.000 1.159 71 A CA 1.546 53.556 52.037 -0.045 0.000 0.656 71 A CB -0.157 18.808 19.000 -0.059 0.000 0.800 71 A HN 0.485 nan 8.150 nan 0.000 0.453 72 Q N -1.876 117.853 119.800 -0.119 0.000 2.198 72 Q HA 0.320 4.663 4.340 0.005 0.000 0.209 72 Q C 0.778 176.649 176.000 -0.216 0.000 0.848 72 Q CA 0.240 55.981 55.803 -0.102 0.000 0.974 72 Q CB 0.518 29.235 28.738 -0.034 0.000 1.115 72 Q HN 0.814 nan 8.270 nan 0.000 0.494 73 G N 1.503 110.150 108.800 -0.254 0.000 2.137 73 G HA2 -0.200 3.763 3.960 0.005 0.000 0.237 73 G HA3 -0.200 3.763 3.960 0.005 0.000 0.237 73 G C -0.387 174.149 174.900 -0.606 0.000 1.002 73 G CA -0.249 44.609 45.100 -0.402 0.000 0.702 73 G HN 0.401 nan 8.290 nan 0.000 0.515 74 H N -1.023 117.992 119.070 -0.092 0.000 2.609 74 H HA 0.567 5.126 4.556 0.005 0.000 0.344 74 H C 0.873 176.141 175.328 -0.100 0.000 1.040 74 H CA -0.039 55.964 56.048 -0.075 0.000 1.216 74 H CB 1.646 31.392 29.762 -0.028 0.000 1.529 74 H HN 0.277 nan 8.280 nan 0.000 0.519 75 G N 1.872 110.671 108.800 -0.002 0.000 3.192 75 G HA2 0.025 3.988 3.960 0.005 0.000 0.239 75 G HA3 0.025 3.988 3.960 0.005 0.000 0.239 75 G C 0.342 175.241 174.900 -0.002 0.000 1.084 75 G CA 0.093 45.140 45.100 -0.088 0.000 0.784 75 G HN 0.576 nan 8.290 nan 0.000 0.540 76 T N -2.916 111.675 114.554 0.062 0.000 2.932 76 T HA 0.441 4.793 4.350 0.005 0.000 0.289 76 T C 1.565 176.263 174.700 -0.003 0.000 1.039 76 T CA 0.411 62.542 62.100 0.053 0.000 1.024 76 T CB 1.555 70.496 68.868 0.122 0.000 1.090 76 T HN 0.032 nan 8.240 nan 0.000 0.496 77 T N -1.541 112.950 114.554 -0.106 0.000 2.803 77 T HA -0.010 4.343 4.350 0.005 0.000 0.269 77 T C -1.042 173.470 174.700 -0.314 0.000 1.052 77 T CA 0.964 62.850 62.100 -0.356 0.000 1.136 77 T CB -1.830 66.649 68.868 -0.649 0.000 0.864 77 T HN 0.450 nan 8.240 nan 0.000 0.467 78 P HA 0.045 nan 4.420 nan 0.000 0.215 78 P C 1.762 179.064 177.300 0.003 0.000 1.153 78 P CA 1.565 64.613 63.100 -0.086 0.000 0.853 78 P CB -0.316 31.326 31.700 -0.096 0.000 0.788 79 A N -1.186 121.632 122.820 -0.004 0.000 1.903 79 A HA -0.051 4.272 4.320 0.005 0.000 0.213 79 A C 2.159 179.763 177.584 0.032 0.000 1.185 79 A CA 0.918 52.910 52.037 -0.075 0.000 0.628 79 A CB -1.384 17.429 19.000 -0.313 0.000 0.830 79 A HN 0.062 nan 8.150 nan 0.000 0.446 80 I N -1.178 119.439 120.570 0.079 0.000 2.226 80 I HA -0.208 3.964 4.170 0.005 0.000 0.245 80 I C 2.115 178.445 176.117 0.355 0.000 1.100 80 I CA 1.071 62.481 61.300 0.183 0.000 1.374 80 I CB -0.360 37.732 38.000 0.153 0.000 1.057 80 I HN 0.218 nan 8.210 nan 0.000 0.413 81 F N 0.116 120.149 119.950 0.138 0.000 2.171 81 F HA -0.241 4.288 4.527 0.004 0.000 0.300 81 F C 2.475 178.420 175.800 0.242 0.000 1.090 81 F CA 1.051 59.162 58.000 0.185 0.000 1.293 81 F CB -1.316 37.806 39.000 0.203 0.000 1.013 81 F HN 0.098 nan 8.300 nan 0.000 0.486 82 Y N 0.377 120.832 120.300 0.259 0.000 2.293 82 Y HA -0.125 4.428 4.550 0.004 0.000 0.291 82 Y C 2.122 178.112 175.900 0.150 0.000 1.137 82 Y CA 1.208 59.387 58.100 0.132 0.000 1.202 82 Y CB -0.476 38.000 38.460 0.026 0.000 0.990 82 Y HN -0.029 nan 8.280 nan 0.000 0.537 83 L N -0.863 120.457 121.223 0.161 0.000 2.141 83 L HA -0.203 4.140 4.340 0.005 0.000 0.209 83 L C 2.113 179.100 176.870 0.195 0.000 1.094 83 L CA 0.997 55.918 54.840 0.135 0.000 0.763 83 L CB -0.462 41.725 42.059 0.214 0.000 0.908 83 L HN 0.242 nan 8.230 nan 0.000 0.437 84 L N -2.251 119.087 121.223 0.192 0.000 2.270 84 L HA -0.044 4.299 4.340 0.005 0.000 0.210 84 L C 0.383 177.486 176.870 0.389 0.000 1.104 84 L CA 0.272 55.207 54.840 0.158 0.000 0.804 84 L CB 0.008 42.067 42.059 -0.000 0.000 0.937 84 L HN 0.310 nan 8.230 nan 0.000 0.450 85 W N 1.140 122.489 121.300 0.082 0.000 2.642 85 W HA 0.319 4.982 4.660 0.005 0.000 0.304 85 W C -0.400 176.102 176.519 -0.028 0.000 1.023 85 W CA -1.361 56.024 57.345 0.067 0.000 1.290 85 W CB 0.626 30.142 29.460 0.095 0.000 1.190 85 W HN -0.209 nan 8.180 nan 0.000 0.374 86 R N 4.606 125.042 120.500 -0.107 0.000 4.045 86 R HA 0.066 4.409 4.340 0.005 0.000 0.174 86 R C -0.236 175.881 176.300 -0.305 0.000 1.805 86 R CA 0.171 55.976 56.100 -0.491 0.000 1.368 86 R CB -0.924 29.190 30.300 -0.309 0.000 1.362 86 R HN 0.412 nan 8.270 nan 0.000 0.777 87 N N 0.599 119.070 118.700 -0.381 0.000 2.287 87 N HA 0.094 4.837 4.740 0.005 0.000 0.289 87 N C 0.572 176.008 175.510 -0.123 0.000 1.066 87 N CA -0.494 52.311 53.050 -0.408 0.000 0.841 87 N CB 1.802 39.555 38.487 -1.224 0.000 1.599 87 N HN -0.003 nan 8.380 nan 0.000 0.476 88 R N 2.307 122.811 120.500 0.006 0.000 2.170 88 R HA -0.059 4.284 4.340 0.005 0.000 0.242 88 R C 1.505 177.831 176.300 0.044 0.000 1.145 88 R CA 1.497 57.608 56.100 0.019 0.000 0.984 88 R CB -0.712 29.612 30.300 0.040 0.000 0.869 88 R HN 0.609 nan 8.270 nan 0.000 0.455 89 F N 0.155 119.997 119.950 -0.180 0.000 2.293 89 F HA 0.052 4.582 4.527 0.005 0.000 0.300 89 F C 1.894 177.682 175.800 -0.020 0.000 1.086 89 F CA 0.881 58.829 58.000 -0.086 0.000 1.375 89 F CB -0.492 38.464 39.000 -0.074 0.000 1.045 89 F HN 0.127 nan 8.300 nan 0.000 0.516 90 A N 0.081 122.796 122.820 -0.174 0.000 1.930 90 A HA -0.184 4.139 4.320 0.005 0.000 0.217 90 A C 2.285 180.005 177.584 0.226 0.000 1.175 90 A CA 1.622 53.723 52.037 0.108 0.000 0.627 90 A CB -0.528 18.566 19.000 0.156 0.000 0.815 90 A HN 0.404 nan 8.150 nan 0.000 0.443 91 K N -0.379 120.077 120.400 0.094 0.000 2.097 91 K HA -0.019 4.304 4.320 0.005 0.000 0.205 91 K C 1.747 178.337 176.600 -0.015 0.000 1.050 91 K CA 1.456 57.752 56.287 0.015 0.000 0.938 91 K CB -0.332 32.096 32.500 -0.121 0.000 0.718 91 K HN 0.538 nan 8.250 nan 0.000 0.442 92 I N 1.097 121.650 120.570 -0.029 0.000 2.202 92 I HA -0.262 3.911 4.170 0.005 0.000 0.242 92 I C 2.172 178.323 176.117 0.057 0.000 1.091 92 I CA 1.144 62.423 61.300 -0.034 0.000 1.368 92 I CB -0.266 37.728 38.000 -0.010 0.000 1.058 92 I HN 0.096 nan 8.210 nan 0.000 0.410 93 L N 0.577 121.843 121.223 0.070 0.000 2.131 93 L HA -0.133 4.210 4.340 0.005 0.000 0.210 93 L C 2.623 179.863 176.870 0.617 0.000 1.092 93 L CA 1.408 56.499 54.840 0.418 0.000 0.759 93 L CB -1.050 41.210 42.059 0.334 0.000 0.903 93 L HN 0.336 nan 8.230 nan 0.000 0.435 94 G N -0.571 108.446 108.800 0.361 0.000 2.470 94 G HA2 -0.167 3.795 3.960 0.005 0.000 0.220 94 G HA3 -0.167 3.795 3.960 0.005 0.000 0.220 94 G C 1.560 176.398 174.900 -0.103 0.000 1.121 94 G CA 0.629 45.706 45.100 -0.039 0.000 0.766 94 G HN 0.218 nan 8.290 nan 0.000 0.553 95 V N 0.322 120.143 119.914 -0.154 0.000 2.568 95 V HA -0.150 3.972 4.120 0.005 0.000 0.253 95 V C 2.374 178.256 176.094 -0.353 0.000 1.072 95 V CA 1.259 63.295 62.300 -0.439 0.000 1.084 95 V CB -0.630 30.675 31.823 -0.864 0.000 0.676 95 V HN 0.347 nan 8.190 nan 0.000 0.469 96 F N 1.328 121.245 119.950 -0.055 0.000 2.333 96 F HA -0.021 4.509 4.527 0.005 0.000 0.300 96 F C 2.301 177.730 175.800 -0.619 0.000 1.083 96 F CA 1.320 59.241 58.000 -0.132 0.000 1.395 96 F CB -0.874 38.065 39.000 -0.101 0.000 1.056 96 F HN 0.235 nan 8.300 nan 0.000 0.529 97 G N -0.838 107.637 108.800 -0.541 0.000 2.744 97 G HA2 -0.013 3.949 3.960 0.005 0.000 0.211 97 G HA3 -0.013 3.949 3.960 0.005 0.000 0.211 97 G C 1.467 176.253 174.900 -0.191 0.000 1.143 97 G CA 0.411 45.257 45.100 -0.423 0.000 0.788 97 G HN 0.358 nan 8.290 nan 0.000 0.534 98 L N -2.489 118.621 121.223 -0.188 0.000 2.547 98 L HA 0.281 4.623 4.340 0.005 0.000 0.218 98 L C 2.324 179.162 176.870 -0.054 0.000 1.048 98 L CA -0.189 54.556 54.840 -0.157 0.000 0.859 98 L CB -0.166 41.697 42.059 -0.328 0.000 1.128 98 L HN 0.319 nan 8.230 nan 0.000 0.483 99 W N 1.798 122.964 121.300 -0.224 0.000 2.379 99 W HA -0.128 4.535 4.660 0.005 0.000 0.307 99 W C 2.182 178.707 176.519 0.010 0.000 1.200 99 W CA 1.601 58.887 57.345 -0.098 0.000 1.297 99 W CB -0.074 29.346 29.460 -0.066 0.000 1.140 99 W HN -0.070 nan 8.180 nan 0.000 0.507 100 I N 1.902 122.540 120.570 0.113 0.000 2.127 100 I HA -0.285 3.887 4.170 0.005 0.000 0.241 100 I C -0.294 175.780 176.117 -0.073 0.000 1.075 100 I CA 1.689 62.948 61.300 -0.068 0.000 1.334 100 I CB -2.048 35.935 38.000 -0.028 0.000 1.040 100 I HN -0.052 nan 8.210 nan 0.000 0.405 101 P HA -0.185 nan 4.420 nan 0.000 0.217 101 P C 1.914 179.177 177.300 -0.062 0.000 1.150 101 P CA 1.380 64.483 63.100 0.006 0.000 0.832 101 P CB -0.040 31.662 31.700 0.003 0.000 0.787 102 L N 0.125 121.302 121.223 -0.076 0.000 2.027 102 L HA -0.100 4.243 4.340 0.005 0.000 0.206 102 L C 2.490 179.306 176.870 -0.089 0.000 1.074 102 L CA 1.714 56.522 54.840 -0.053 0.000 0.745 102 L CB -1.261 40.786 42.059 -0.019 0.000 0.898 102 L HN -0.244 nan 8.230 nan 0.000 0.433 103 V N -1.146 118.625 119.914 -0.238 0.000 2.343 103 V HA -0.255 3.868 4.120 0.005 0.000 0.247 103 V C 2.479 178.552 176.094 -0.036 0.000 1.051 103 V CA 1.612 63.792 62.300 -0.200 0.000 1.036 103 V CB -0.418 31.073 31.823 -0.553 0.000 0.654 103 V HN 0.350 nan 8.190 nan 0.000 0.451 104 V N 0.285 120.142 119.914 -0.094 0.000 2.427 104 V HA -0.219 3.904 4.120 0.005 0.000 0.248 104 V C 2.697 178.528 176.094 -0.438 0.000 1.051 104 V CA 1.812 63.936 62.300 -0.294 0.000 1.048 104 V CB -1.083 30.707 31.823 -0.055 0.000 0.666 104 V HN 0.555 nan 8.190 nan 0.000 0.456 105 A N 0.084 122.786 122.820 -0.197 0.000 1.940 105 A HA -0.204 4.119 4.320 0.005 0.000 0.219 105 A C 2.171 179.759 177.584 0.005 0.000 1.176 105 A CA 1.927 53.905 52.037 -0.098 0.000 0.631 105 A CB -0.596 18.382 19.000 -0.037 0.000 0.814 105 A HN 0.517 nan 8.150 nan 0.000 0.446 106 I N -1.113 119.480 120.570 0.039 0.000 2.248 106 I HA -0.328 3.845 4.170 0.005 0.000 0.248 106 I C 2.444 178.667 176.117 0.177 0.000 1.107 106 I CA 2.053 63.437 61.300 0.140 0.000 1.373 106 I CB -0.354 37.746 38.000 0.166 0.000 1.055 106 I HN 0.760 nan 8.210 nan 0.000 0.418 107 Y N -2.493 117.893 120.300 0.144 0.000 2.524 107 Y HA 0.049 4.602 4.550 0.004 0.000 0.270 107 Y C 2.286 178.260 175.900 0.125 0.000 1.094 107 Y CA -0.133 58.042 58.100 0.125 0.000 1.276 107 Y CB -1.125 37.412 38.460 0.128 0.000 1.130 107 Y HN -0.002 nan 8.280 nan 0.000 0.536 108 Y N 1.325 121.416 120.300 -0.348 0.000 2.200 108 Y HA -0.151 4.401 4.550 0.004 0.000 0.290 108 Y C 2.247 178.111 175.900 -0.060 0.000 1.137 108 Y CA 2.033 60.011 58.100 -0.204 0.000 1.163 108 Y CB -0.146 38.127 38.460 -0.311 0.000 0.988 108 Y HN 0.036 nan 8.280 nan 0.000 0.518 109 V N -0.619 119.435 119.914 0.234 0.000 2.515 109 V HA -0.290 3.833 4.120 0.005 0.000 0.250 109 V C 1.911 178.213 176.094 0.346 0.000 1.058 109 V CA 1.938 64.408 62.300 0.284 0.000 1.064 109 V CB -1.032 30.989 31.823 0.330 0.000 0.675 109 V HN 0.500 nan 8.190 nan 0.000 0.461 110 Y N 0.758 121.111 120.300 0.089 0.000 2.200 110 Y HA -0.151 4.402 4.550 0.005 0.000 0.290 110 Y C 2.218 177.760 175.900 -0.597 0.000 1.137 110 Y CA 1.246 59.251 58.100 -0.159 0.000 1.163 110 Y CB -0.330 37.910 38.460 -0.367 0.000 0.988 110 Y HN 0.197 nan 8.280 nan 0.000 0.518 111 I N 0.171 120.195 120.570 -0.911 0.000 2.286 111 I HA -0.287 3.885 4.170 0.005 0.000 0.248 111 I C 2.513 178.197 176.117 -0.720 0.000 1.115 111 I CA 1.838 62.208 61.300 -1.550 0.000 1.392 111 I CB -0.500 36.906 38.000 -0.991 0.000 1.065 111 I HN 0.281 nan 8.210 nan 0.000 0.418 112 E N 1.252 121.250 120.200 -0.338 0.000 2.085 112 E HA -0.272 4.081 4.350 0.005 0.000 0.194 112 E C 2.260 178.961 176.600 0.167 0.000 0.994 112 E CA 1.905 58.282 56.400 -0.038 0.000 0.801 112 E CB -0.003 29.724 29.700 0.044 0.000 0.743 112 E HN 0.541 nan 8.360 nan 0.000 0.453 113 S N -0.266 115.533 115.700 0.165 0.000 2.399 113 S HA -0.157 4.316 4.470 0.005 0.000 0.231 113 S C 1.656 176.450 174.600 0.322 0.000 1.022 113 S CA 0.899 59.278 58.200 0.299 0.000 0.983 113 S CB -0.706 62.795 63.200 0.502 0.000 0.803 113 S HN 0.431 nan 8.310 nan 0.000 0.480 114 W N 2.940 124.231 121.300 -0.014 0.000 2.358 114 W HA 0.005 4.667 4.660 0.004 0.000 0.303 114 W C 3.058 179.557 176.519 -0.033 0.000 1.208 114 W CA 1.350 58.617 57.345 -0.131 0.000 1.274 114 W CB -1.865 27.268 29.460 -0.545 0.000 1.138 114 W HN 0.623 nan 8.180 nan 0.000 0.515 115 T N -1.128 113.607 114.554 0.303 0.000 2.833 115 T HA -0.180 4.173 4.350 0.005 0.000 0.269 115 T C 1.916 176.738 174.700 0.203 0.000 1.054 115 T CA 1.378 63.633 62.100 0.259 0.000 1.135 115 T CB -0.722 68.278 68.868 0.219 0.000 0.869 115 T HN 0.000 nan 8.240 nan 0.000 0.466 116 L N 2.025 123.307 121.223 0.099 0.000 2.072 116 L HA 0.335 4.678 4.340 0.005 0.000 0.205 116 L C 2.699 179.629 176.870 0.100 0.000 1.079 116 L CA 1.978 56.708 54.840 -0.182 0.000 0.752 116 L CB -1.265 40.460 42.059 -0.556 0.000 0.906 116 L HN 0.358 nan 8.230 nan 0.000 0.436 117 G N -1.074 107.852 108.800 0.210 0.000 2.418 117 G HA2 -0.298 3.665 3.960 0.005 0.000 0.217 117 G HA3 -0.298 3.665 3.960 0.005 0.000 0.217 117 G C 1.428 176.631 174.900 0.505 0.000 1.158 117 G CA 0.938 46.261 45.100 0.372 0.000 0.771 117 G HN 0.384 nan 8.290 nan 0.000 0.545 118 F N 1.795 121.762 119.950 0.029 0.000 2.146 118 F HA 0.100 4.630 4.527 0.004 0.000 0.298 118 F C 3.018 178.974 175.800 0.261 0.000 1.096 118 F CA 0.614 58.608 58.000 -0.009 0.000 1.275 118 F CB -0.614 37.832 39.000 -0.923 0.000 1.008 118 F HN 0.245 nan 8.300 nan 0.000 0.480 119 A N 0.394 123.484 122.820 0.449 0.000 1.883 119 A HA -0.184 4.139 4.320 0.005 0.000 0.217 119 A C 2.310 180.279 177.584 0.641 0.000 1.186 119 A CA 1.870 54.269 52.037 0.604 0.000 0.624 119 A CB -1.135 18.145 19.000 0.467 0.000 0.822 119 A HN 0.367 nan 8.150 nan 0.000 0.444 120 I N -0.473 120.386 120.570 0.481 0.000 2.127 120 I HA -0.304 3.869 4.170 0.005 0.000 0.241 120 I C 2.491 178.802 176.117 0.324 0.000 1.075 120 I CA 1.852 63.390 61.300 0.397 0.000 1.334 120 I CB -0.334 37.941 38.000 0.459 0.000 1.040 120 I HN 0.307 nan 8.210 nan 0.000 0.405 121 K N 0.145 120.756 120.400 0.352 0.000 2.097 121 K HA -0.153 4.170 4.320 0.005 0.000 0.206 121 K C 2.068 178.752 176.600 0.139 0.000 1.049 121 K CA 1.491 57.884 56.287 0.178 0.000 0.933 121 K CB -0.242 32.383 32.500 0.209 0.000 0.717 121 K HN 0.136 nan 8.250 nan 0.000 0.442 122 F N 0.892 120.958 119.950 0.194 0.000 2.206 122 F HA -0.119 4.410 4.527 0.004 0.000 0.298 122 F C 2.126 178.035 175.800 0.182 0.000 1.090 122 F CA 0.572 58.707 58.000 0.225 0.000 1.323 122 F CB -0.387 38.860 39.000 0.412 0.000 1.028 122 F HN -0.054 nan 8.300 nan 0.000 0.492 123 L N -0.184 121.216 121.223 0.295 0.000 2.017 123 L HA -0.150 4.193 4.340 0.005 0.000 0.208 123 L C 1.917 178.779 176.870 -0.014 0.000 1.073 123 L CA 1.695 56.485 54.840 -0.083 0.000 0.745 123 L CB -0.756 41.086 42.059 -0.361 0.000 0.894 123 L HN -0.039 nan 8.230 nan 0.000 0.432 124 V N 0.262 120.187 119.914 0.017 0.000 3.573 124 V HA 0.243 4.366 4.120 0.005 0.000 0.270 124 V C 1.704 177.783 176.094 -0.025 0.000 1.221 124 V CA 0.772 63.066 62.300 -0.010 0.000 1.163 124 V CB -1.038 30.777 31.823 -0.013 0.000 0.847 124 V HN 0.753 nan 8.190 nan 0.000 0.468 125 G N 0.810 109.593 108.800 -0.028 0.000 2.143 125 G HA2 -0.259 3.704 3.960 0.005 0.000 0.248 125 G HA3 -0.259 3.704 3.960 0.005 0.000 0.248 125 G C 0.199 175.014 174.900 -0.141 0.000 0.991 125 G CA 0.138 45.192 45.100 -0.076 0.000 0.689 125 G HN 0.496 nan 8.290 nan 0.000 0.522 126 L N 1.065 122.196 121.223 -0.153 0.000 2.536 126 L HA 0.474 4.816 4.340 0.005 0.000 0.242 126 L C 0.858 177.585 176.870 -0.238 0.000 1.280 126 L CA -0.555 54.194 54.840 -0.151 0.000 1.221 126 L CB 0.087 42.075 42.059 -0.118 0.000 1.449 126 L HN 0.297 nan 8.230 nan 0.000 0.405 127 V N -1.392 118.284 119.914 -0.396 0.000 3.074 127 V HA 0.718 4.840 4.120 0.005 0.000 0.314 127 V C -2.357 173.416 176.094 -0.536 0.000 1.117 127 V CA -2.189 59.670 62.300 -0.735 0.000 1.014 127 V CB 1.548 32.723 31.823 -1.080 0.000 1.057 127 V HN 0.172 nan 8.190 nan 0.000 0.438 128 P HA 0.210 nan 4.420 nan 0.000 0.267 128 P C -0.724 176.331 177.300 -0.409 0.000 1.200 128 P CA 0.130 62.898 63.100 -0.553 0.000 0.772 128 P CB 0.487 31.681 31.700 -0.844 0.000 0.855 129 E N 2.753 122.814 120.200 -0.233 0.000 2.267 129 E HA 0.306 4.658 4.350 0.005 0.000 0.241 129 E C -2.189 174.373 176.600 -0.064 0.000 0.950 129 E CA -1.758 54.573 56.400 -0.114 0.000 0.776 129 E CB 0.243 29.896 29.700 -0.078 0.000 1.207 129 E HN 0.375 nan 8.360 nan 0.000 0.436 130 P HA 0.047 nan 4.420 nan 0.000 0.268 130 P C -2.386 174.945 177.300 0.052 0.000 1.204 130 P CA -1.029 62.105 63.100 0.057 0.000 0.768 130 P CB 0.013 31.827 31.700 0.189 0.000 0.842 131 P HA 0.158 nan 4.420 nan 0.000 0.269 131 P C -2.238 175.091 177.300 0.048 0.000 1.252 131 P CA -0.895 62.226 63.100 0.035 0.000 0.780 131 P CB -0.263 31.453 31.700 0.028 0.000 0.829 136 D N 5.065 125.499 120.400 0.058 0.000 2.451 136 D HA 0.155 4.798 4.640 0.005 0.000 0.254 136 D C -0.625 175.736 176.300 0.101 0.000 1.204 136 D CA -1.422 52.618 54.000 0.067 0.000 0.896 136 D CB 1.501 42.333 40.800 0.053 0.000 1.136 136 D HN 0.155 nan 8.370 nan 0.000 0.499 137 P HA -0.166 nan 4.420 nan 0.000 0.217 137 P C 0.666 178.068 177.300 0.169 0.000 1.148 137 P CA 0.969 64.195 63.100 0.210 0.000 0.828 137 P CB 0.461 32.323 31.700 0.270 0.000 0.783 138 D N -0.207 120.256 120.400 0.105 0.000 2.194 138 D HA -0.066 4.577 4.640 0.005 0.000 0.204 138 D C 2.157 178.505 176.300 0.079 0.000 0.964 138 D CA 1.329 55.374 54.000 0.074 0.000 0.846 138 D CB -0.091 40.734 40.800 0.042 0.000 0.962 138 D HN 0.269 nan 8.370 nan 0.000 0.490 139 S N 0.038 115.786 115.700 0.081 0.000 2.447 139 S HA -0.034 4.439 4.470 0.005 0.000 0.233 139 S C 2.059 176.722 174.600 0.104 0.000 1.006 139 S CA 0.414 58.657 58.200 0.073 0.000 0.957 139 S CB -0.241 62.995 63.200 0.060 0.000 0.773 139 S HN 0.235 nan 8.310 nan 0.000 0.507 140 I N 0.339 120.997 120.570 0.148 0.000 2.628 140 I HA 0.104 4.277 4.170 0.005 0.000 0.255 140 I C 2.230 178.532 176.117 0.309 0.000 1.119 140 I CA 0.496 61.926 61.300 0.217 0.000 1.448 140 I CB -0.174 37.952 38.000 0.210 0.000 1.133 140 I HN 0.227 nan 8.210 nan 0.000 0.438 141 L N 0.498 121.864 121.223 0.239 0.000 2.109 141 L HA -0.093 4.250 4.340 0.005 0.000 0.207 141 L C 2.744 179.736 176.870 0.202 0.000 1.086 141 L CA 0.971 55.951 54.840 0.234 0.000 0.760 141 L CB -0.468 41.663 42.059 0.121 0.000 0.910 141 L HN 0.187 nan 8.230 nan 0.000 0.437 142 R N 0.476 121.044 120.500 0.113 0.000 2.096 142 R HA -0.193 4.150 4.340 0.005 0.000 0.240 142 R C -0.447 175.871 176.300 0.031 0.000 1.139 142 R CA 1.937 58.061 56.100 0.041 0.000 0.952 142 R CB -1.103 29.207 30.300 0.018 0.000 0.854 142 R HN 0.229 nan 8.270 nan 0.000 0.436 143 P HA -0.128 nan 4.420 nan 0.000 0.216 143 P C 0.621 177.833 177.300 -0.148 0.000 1.150 143 P CA 1.370 64.409 63.100 -0.102 0.000 0.837 143 P CB -0.057 31.523 31.700 -0.201 0.000 0.786 144 F N -0.142 119.858 119.950 0.083 0.000 2.293 144 F HA -0.002 4.528 4.527 0.005 0.000 0.297 144 F C 2.377 178.296 175.800 0.199 0.000 1.089 144 F CA 1.130 59.228 58.000 0.163 0.000 1.377 144 F CB -0.536 38.563 39.000 0.166 0.000 1.051 144 F HN -0.178 nan 8.300 nan 0.000 0.511 145 K N 0.895 121.412 120.400 0.195 0.000 2.057 145 K HA -0.173 4.150 4.320 0.005 0.000 0.206 145 K C 1.771 178.277 176.600 -0.157 0.000 1.050 145 K CA 1.692 57.947 56.287 -0.052 0.000 0.935 145 K CB -0.137 32.212 32.500 -0.253 0.000 0.715 145 K HN 0.254 nan 8.250 nan 0.000 0.439 146 E N -0.205 119.950 120.200 -0.076 0.000 2.110 146 E HA -0.204 4.149 4.350 0.005 0.000 0.193 146 E C 1.832 178.492 176.600 0.099 0.000 0.988 146 E CA 1.136 57.522 56.400 -0.022 0.000 0.804 146 E CB -0.215 29.476 29.700 -0.015 0.000 0.745 146 E HN 0.307 nan 8.360 nan 0.000 0.458 147 F N 1.522 121.463 119.950 -0.015 0.000 2.075 147 F HA -0.211 4.319 4.527 0.005 0.000 0.297 147 F C 2.148 178.016 175.800 0.113 0.000 1.113 147 F CA 1.175 59.168 58.000 -0.013 0.000 1.218 147 F CB -0.206 38.748 39.000 -0.076 0.000 0.984 147 F HN -0.001 nan 8.300 nan 0.000 0.472 148 L N -0.487 120.987 121.223 0.418 0.000 2.017 148 L HA -0.218 4.125 4.340 0.005 0.000 0.208 148 L C 2.118 179.126 176.870 0.229 0.000 1.073 148 L CA 1.855 56.935 54.840 0.400 0.000 0.745 148 L CB -1.402 40.944 42.059 0.478 0.000 0.894 148 L HN 0.164 nan 8.230 nan 0.000 0.432 149 Y N -0.149 120.149 120.300 -0.003 0.000 2.207 149 Y HA -0.154 4.399 4.550 0.005 0.000 0.287 149 Y C 2.836 178.678 175.900 -0.097 0.000 1.156 149 Y CA 1.207 59.270 58.100 -0.062 0.000 1.182 149 Y CB -1.143 37.306 38.460 -0.018 0.000 0.979 149 Y HN 0.260 nan 8.280 nan 0.000 0.521 150 S N -1.392 114.346 115.700 0.064 0.000 2.436 150 S HA -0.147 4.326 4.470 0.005 0.000 0.228 150 S C 1.778 176.312 174.600 -0.110 0.000 1.014 150 S CA 0.564 58.738 58.200 -0.043 0.000 0.950 150 S CB -0.486 62.669 63.200 -0.075 0.000 0.784 150 S HN 0.536 nan 8.310 nan 0.000 0.504 151 Y N 2.886 123.019 120.300 -0.278 0.000 2.133 151 Y HA -0.048 4.505 4.550 0.005 0.000 0.287 151 Y C 1.969 177.677 175.900 -0.321 0.000 1.134 151 Y CA 1.702 59.618 58.100 -0.307 0.000 1.133 151 Y CB -0.192 38.068 38.460 -0.334 0.000 0.987 151 Y HN 0.304 nan 8.280 nan 0.000 0.502 152 I N -2.753 117.663 120.570 -0.256 0.000 3.419 152 I HA 0.334 4.507 4.170 0.005 0.000 0.286 152 I C 1.324 177.267 176.117 -0.290 0.000 1.268 152 I CA 0.792 61.844 61.300 -0.413 0.000 1.414 152 I CB -0.487 37.069 38.000 -0.739 0.000 1.074 152 I HN 0.305 nan 8.210 nan 0.000 0.457 153 G N 2.439 111.105 108.800 -0.223 0.000 2.291 153 G HA2 -0.187 3.776 3.960 0.005 0.000 0.271 153 G HA3 -0.187 3.776 3.960 0.005 0.000 0.271 153 G C 0.017 174.812 174.900 -0.175 0.000 1.099 153 G CA 0.095 45.095 45.100 -0.166 0.000 0.919 153 G HN 0.278 nan 8.290 nan 0.000 0.496 154 V N 0.798 120.571 119.914 -0.235 0.000 2.694 154 V HA 0.173 4.296 4.120 0.005 0.000 0.306 154 V C -0.895 175.101 176.094 -0.162 0.000 1.054 154 V CA -0.352 61.768 62.300 -0.301 0.000 1.161 154 V CB 0.660 32.086 31.823 -0.660 0.000 0.916 154 V HN 0.367 nan 8.190 nan 0.000 0.490 155 P HA 0.121 nan 4.420 nan 0.000 0.264 155 P C 0.159 177.433 177.300 -0.043 0.000 1.193 155 P CA 0.135 63.188 63.100 -0.079 0.000 0.763 155 P CB 0.348 31.995 31.700 -0.088 0.000 0.810 156 K N 1.390 121.780 120.400 -0.016 0.000 2.361 156 K HA 0.195 4.518 4.320 0.005 0.000 0.194 156 K C 1.230 177.834 176.600 0.007 0.000 1.032 156 K CA 0.137 56.430 56.287 0.009 0.000 1.048 156 K CB 0.539 33.048 32.500 0.016 0.000 0.842 156 K HN 0.568 nan 8.250 nan 0.000 0.526 157 G N 0.295 109.093 108.800 -0.004 0.000 3.234 157 G HA2 0.048 4.011 3.960 0.005 0.000 0.159 157 G HA3 0.048 4.011 3.960 0.005 0.000 0.159 157 G C -0.212 174.685 174.900 -0.006 0.000 1.175 157 G CA -0.271 44.830 45.100 0.001 0.000 0.900 157 G HN -0.111 nan 8.290 nan 0.000 0.621 158 D N 0.254 120.657 120.400 0.003 0.000 2.338 158 D HA 0.068 4.710 4.640 0.005 0.000 0.208 158 D C 0.364 176.657 176.300 -0.010 0.000 0.997 158 D CA 0.362 54.364 54.000 0.004 0.000 0.880 158 D CB 0.560 41.380 40.800 0.034 0.000 0.980 158 D HN 0.422 nan 8.370 nan 0.000 0.509 159 E N 2.594 122.795 120.200 0.002 0.000 2.384 159 E HA 0.049 4.401 4.350 0.005 0.000 0.266 159 E C -1.909 174.654 176.600 -0.062 0.000 1.012 159 E CA -1.144 55.258 56.400 0.002 0.000 0.901 159 E CB 0.805 30.520 29.700 0.024 0.000 0.967 159 E HN 0.063 nan 8.360 nan 0.000 0.435 160 P HA 0.131 nan 4.420 nan 0.000 0.226 160 P C -0.730 176.508 177.300 -0.103 0.000 1.758 160 P CA 0.203 63.195 63.100 -0.180 0.000 0.896 160 P CB -0.051 31.452 31.700 -0.328 0.000 1.784 161 I N 1.040 121.577 120.570 -0.055 0.000 2.441 161 I HA 0.337 4.510 4.170 0.005 0.000 0.295 161 I C 0.673 176.779 176.117 -0.019 0.000 0.994 161 I CA -1.363 59.931 61.300 -0.011 0.000 1.144 161 I CB 1.850 39.863 38.000 0.023 0.000 1.314 161 I HN -0.059 nan 8.210 nan 0.000 0.445 162 L N 5.720 126.938 121.223 -0.009 0.000 2.343 162 L HA 0.478 4.821 4.340 0.005 0.000 0.275 162 L C 0.568 177.419 176.870 -0.033 0.000 1.056 162 L CA -0.590 54.206 54.840 -0.073 0.000 0.804 162 L CB 0.954 42.925 42.059 -0.147 0.000 1.203 162 L HN 0.383 nan 8.230 nan 0.000 0.440 163 K N 3.371 123.722 120.400 -0.081 0.000 2.753 163 K HA 0.377 4.700 4.320 0.005 0.000 0.185 163 K C -2.628 173.894 176.600 -0.130 0.000 1.071 163 K CA -1.988 54.276 56.287 -0.039 0.000 0.999 163 K CB 0.958 33.453 32.500 -0.008 0.000 1.244 163 K HN 0.152 nan 8.250 nan 0.000 0.594 164 P HA -0.020 nan 4.420 nan 0.000 0.267 164 P C -0.106 177.082 177.300 -0.186 0.000 1.200 164 P CA 0.155 63.097 63.100 -0.263 0.000 0.772 164 P CB 0.569 32.072 31.700 -0.328 0.000 0.855 165 S N 2.471 118.027 115.700 -0.239 0.000 2.584 165 S HA 0.031 4.504 4.470 0.005 0.000 0.270 165 S C 1.123 175.678 174.600 -0.076 0.000 1.346 165 S CA -0.498 57.609 58.200 -0.156 0.000 1.018 165 S CB 0.085 63.172 63.200 -0.188 0.000 0.899 165 S HN 0.373 nan 8.310 nan 0.000 0.542 166 L N 1.329 122.557 121.223 0.008 0.000 2.083 166 L HA 0.048 4.391 4.340 0.005 0.000 0.209 166 L C 1.978 178.934 176.870 0.144 0.000 1.083 166 L CA 1.763 56.654 54.840 0.085 0.000 0.752 166 L CB -1.318 40.791 42.059 0.083 0.000 0.899 166 L HN 0.837 nan 8.230 nan 0.000 0.433 167 F N 0.557 120.481 119.950 -0.043 0.000 2.095 167 F HA -0.192 4.337 4.527 0.004 0.000 0.298 167 F C 2.324 178.093 175.800 -0.051 0.000 1.104 167 F CA 1.572 59.559 58.000 -0.023 0.000 1.232 167 F CB -0.875 38.104 39.000 -0.035 0.000 0.987 167 F HN 0.160 nan 8.300 nan 0.000 0.475 168 A N -0.713 121.873 122.820 -0.390 0.000 1.908 168 A HA -0.271 4.052 4.320 0.005 0.000 0.218 168 A C 2.175 179.704 177.584 -0.091 0.000 1.181 168 A CA 1.803 53.482 52.037 -0.597 0.000 0.627 168 A CB -1.702 16.675 19.000 -1.037 0.000 0.818 168 A HN 0.604 nan 8.150 nan 0.000 0.445 169 Y N 0.312 120.551 120.300 -0.101 0.000 2.163 169 Y HA -0.149 4.404 4.550 0.004 0.000 0.288 169 Y C 2.067 178.049 175.900 0.137 0.000 1.136 169 Y CA 1.743 59.878 58.100 0.059 0.000 1.147 169 Y CB -0.215 38.280 38.460 0.059 0.000 0.987 169 Y HN 0.269 nan 8.280 nan 0.000 0.509 170 I N -1.209 119.440 120.570 0.133 0.000 2.226 170 I HA -0.296 3.877 4.170 0.005 0.000 0.245 170 I C 2.133 178.220 176.117 -0.050 0.000 1.100 170 I CA 1.151 62.480 61.300 0.050 0.000 1.374 170 I CB -0.483 37.566 38.000 0.082 0.000 1.057 170 I HN 0.059 nan 8.210 nan 0.000 0.413 171 V N 0.526 120.349 119.914 -0.152 0.000 2.515 171 V HA -0.281 3.842 4.120 0.005 0.000 0.250 171 V C 2.224 178.356 176.094 0.064 0.000 1.058 171 V CA 1.650 63.872 62.300 -0.130 0.000 1.064 171 V CB -0.696 30.956 31.823 -0.284 0.000 0.675 171 V HN 0.375 nan 8.190 nan 0.000 0.461 172 F N 0.423 120.362 119.950 -0.017 0.000 2.146 172 F HA -0.115 4.415 4.527 0.005 0.000 0.298 172 F C 1.978 177.800 175.800 0.037 0.000 1.096 172 F CA 1.438 59.476 58.000 0.063 0.000 1.275 172 F CB -0.308 38.720 39.000 0.047 0.000 1.008 172 F HN 0.037 nan 8.300 nan 0.000 0.480 173 L N -0.101 121.045 121.223 -0.128 0.000 2.012 173 L HA -0.261 4.082 4.340 0.005 0.000 0.210 173 L C 2.524 179.304 176.870 -0.151 0.000 1.073 173 L CA 1.633 56.339 54.840 -0.223 0.000 0.748 173 L CB -0.719 41.248 42.059 -0.153 0.000 0.891 173 L HN 0.145 nan 8.230 nan 0.000 0.431 174 I N -0.754 119.779 120.570 -0.062 0.000 2.226 174 I HA -0.291 3.882 4.170 0.005 0.000 0.245 174 I C 2.480 178.647 176.117 0.085 0.000 1.100 174 I CA 1.523 62.840 61.300 0.029 0.000 1.374 174 I CB -0.525 37.488 38.000 0.022 0.000 1.057 174 I HN 0.276 nan 8.210 nan 0.000 0.413 175 T N 0.690 115.262 114.554 0.031 0.000 2.746 175 T HA -0.154 4.199 4.350 0.005 0.000 0.267 175 T C 1.952 176.640 174.700 -0.019 0.000 1.039 175 T CA 1.220 63.377 62.100 0.094 0.000 1.142 175 T CB -0.097 68.865 68.868 0.158 0.000 0.866 175 T HN 0.158 nan 8.240 nan 0.000 0.444 176 M N 0.424 119.905 119.600 -0.199 0.000 2.117 176 M HA 0.044 4.527 4.480 0.005 0.000 0.262 176 M C 2.099 178.339 176.300 -0.099 0.000 1.065 176 M CA 1.221 56.394 55.300 -0.211 0.000 1.114 176 M CB -1.247 31.140 32.600 -0.354 0.000 1.361 176 M HN 0.277 nan 8.290 nan 0.000 0.408 177 F N 1.261 121.105 119.950 -0.176 0.000 2.134 177 F HA -0.170 4.360 4.527 0.004 0.000 0.299 177 F C 2.103 177.849 175.800 -0.090 0.000 1.097 177 F CA 1.417 59.339 58.000 -0.129 0.000 1.264 177 F CB -0.333 38.600 39.000 -0.111 0.000 1.001 177 F HN 0.010 nan 8.300 nan 0.000 0.479 178 I N 0.282 120.788 120.570 -0.106 0.000 2.252 178 I HA -0.323 3.850 4.170 0.005 0.000 0.245 178 I C 2.284 178.227 176.117 -0.290 0.000 1.102 178 I CA 1.306 62.495 61.300 -0.185 0.000 1.385 178 I CB -0.686 37.362 38.000 0.079 0.000 1.064 178 I HN 0.216 nan 8.210 nan 0.000 0.414 179 N N 0.608 119.184 118.700 -0.208 0.000 2.120 179 N HA -0.148 4.595 4.740 0.005 0.000 0.188 179 N C 1.978 177.341 175.510 -0.246 0.000 1.024 179 N CA 1.375 54.293 53.050 -0.220 0.000 0.852 179 N CB -0.082 38.327 38.487 -0.131 0.000 1.003 179 N HN 0.156 nan 8.380 nan 0.000 0.424 180 V N 1.710 121.469 119.914 -0.259 0.000 2.343 180 V HA -0.223 3.900 4.120 0.005 0.000 0.247 180 V C 2.626 178.521 176.094 -0.331 0.000 1.051 180 V CA 2.006 64.152 62.300 -0.257 0.000 1.036 180 V CB -0.739 30.943 31.823 -0.235 0.000 0.654 180 V HN 0.447 nan 8.190 nan 0.000 0.451 181 S N -0.023 115.373 115.700 -0.507 0.000 2.400 181 S HA -0.179 4.294 4.470 0.005 0.000 0.232 181 S C 1.889 176.302 174.600 -0.313 0.000 1.025 181 S CA 1.873 59.789 58.200 -0.474 0.000 0.993 181 S CB -0.595 62.234 63.200 -0.618 0.000 0.808 181 S HN 0.565 nan 8.310 nan 0.000 0.478 182 I N 0.959 121.333 120.570 -0.327 0.000 2.296 182 I HA -0.014 4.159 4.170 0.005 0.000 0.242 182 I C 2.437 178.428 176.117 -0.210 0.000 1.087 182 I CA 0.826 61.954 61.300 -0.287 0.000 1.393 182 I CB -0.338 37.411 38.000 -0.419 0.000 1.093 182 I HN 0.237 nan 8.210 nan 0.000 0.421 183 L N 0.427 121.531 121.223 -0.198 0.000 2.083 183 L HA -0.214 4.129 4.340 0.005 0.000 0.209 183 L C 2.517 179.299 176.870 -0.147 0.000 1.083 183 L CA 1.371 56.120 54.840 -0.152 0.000 0.752 183 L CB -0.362 41.628 42.059 -0.115 0.000 0.899 183 L HN 0.271 nan 8.230 nan 0.000 0.433 184 I N -0.362 120.117 120.570 -0.151 0.000 2.756 184 I HA -0.232 3.941 4.170 0.005 0.000 0.262 184 I C 2.342 178.380 176.117 -0.132 0.000 1.225 184 I CA 0.979 62.201 61.300 -0.130 0.000 1.472 184 I CB -0.059 37.864 38.000 -0.128 0.000 1.094 184 I HN 0.202 nan 8.210 nan 0.000 0.454 185 R N 0.771 121.186 120.500 -0.142 0.000 2.297 185 R HA 0.208 4.550 4.340 0.005 0.000 0.197 185 R C 0.946 177.150 176.300 -0.159 0.000 0.943 185 R CA 0.533 56.555 56.100 -0.131 0.000 1.038 185 R CB 0.085 30.318 30.300 -0.112 0.000 0.957 185 R HN 0.503 nan 8.270 nan 0.000 0.484 186 G N 0.832 109.517 108.800 -0.193 0.000 2.660 186 G HA2 -0.232 3.730 3.960 0.005 0.000 0.247 186 G HA3 -0.232 3.730 3.960 0.005 0.000 0.247 186 G C 0.444 175.133 174.900 -0.352 0.000 1.328 186 G CA -0.556 44.382 45.100 -0.270 0.000 0.884 186 G HN -0.055 nan 8.290 nan 0.000 0.531 187 I N 1.222 121.462 120.570 -0.550 0.000 2.090 187 I HA -0.142 4.031 4.170 0.005 0.000 0.236 187 I C 3.250 179.052 176.117 -0.525 0.000 1.064 187 I CA 3.042 63.867 61.300 -0.791 0.000 1.324 187 I CB -1.810 35.377 38.000 -1.356 0.000 1.044 187 I HN 0.938 nan 8.210 nan 0.000 0.399 188 S N 1.035 116.497 115.700 -0.397 0.000 2.357 188 S HA -0.116 4.357 4.470 0.005 0.000 0.221 188 S C 1.844 176.394 174.600 -0.083 0.000 1.031 188 S CA 0.733 58.832 58.200 -0.167 0.000 0.982 188 S CB -0.444 62.682 63.200 -0.124 0.000 0.853 188 S HN 0.403 nan 8.310 nan 0.000 0.458 189 K N 1.097 121.432 120.400 -0.109 0.000 2.418 189 K HA 0.216 4.539 4.320 0.005 0.000 0.195 189 K C 1.793 178.359 176.600 -0.057 0.000 1.035 189 K CA 0.572 56.820 56.287 -0.065 0.000 1.003 189 K CB 0.006 32.463 32.500 -0.071 0.000 0.793 189 K HN 0.537 nan 8.250 nan 0.000 0.494 190 G N 1.042 109.787 108.800 -0.091 0.000 2.598 190 G HA2 0.017 3.980 3.960 0.005 0.000 0.225 190 G HA3 0.017 3.980 3.960 0.005 0.000 0.225 190 G C 1.308 176.198 174.900 -0.017 0.000 1.631 190 G CA -0.282 44.770 45.100 -0.080 0.000 0.821 190 G HN -0.029 nan 8.290 nan 0.000 0.610 191 I N 0.875 121.415 120.570 -0.049 0.000 2.127 191 I HA -0.153 4.020 4.170 0.005 0.000 0.241 191 I C 2.690 178.909 176.117 0.170 0.000 1.075 191 I CA 1.698 63.033 61.300 0.059 0.000 1.334 191 I CB -0.212 37.783 38.000 -0.007 0.000 1.040 191 I HN 0.350 nan 8.210 nan 0.000 0.405 192 E N 1.219 121.534 120.200 0.190 0.000 2.031 192 E HA -0.232 4.121 4.350 0.005 0.000 0.193 192 E C 2.438 179.109 176.600 0.119 0.000 0.994 192 E CA 1.211 57.751 56.400 0.233 0.000 0.800 192 E CB 0.045 29.925 29.700 0.300 0.000 0.752 192 E HN 0.331 nan 8.360 nan 0.000 0.447 193 R N -0.474 120.081 120.500 0.091 0.000 2.091 193 R HA -0.170 4.173 4.340 0.005 0.000 0.238 193 R C 2.367 178.716 176.300 0.083 0.000 1.136 193 R CA 1.493 57.636 56.100 0.072 0.000 0.959 193 R CB -0.485 29.851 30.300 0.060 0.000 0.856 193 R HN 0.261 nan 8.270 nan 0.000 0.437 194 F N 1.371 121.300 119.950 -0.035 0.000 2.146 194 F HA -0.085 4.445 4.527 0.005 0.000 0.298 194 F C 2.276 178.029 175.800 -0.080 0.000 1.096 194 F CA 1.128 59.084 58.000 -0.074 0.000 1.275 194 F CB -0.364 38.564 39.000 -0.120 0.000 1.008 194 F HN -0.031 nan 8.300 nan 0.000 0.480 195 A N 0.223 122.999 122.820 -0.074 0.000 1.972 195 A HA -0.211 4.111 4.320 0.005 0.000 0.219 195 A C 2.219 179.703 177.584 -0.166 0.000 1.169 195 A CA 1.718 53.667 52.037 -0.146 0.000 0.635 195 A CB -0.690 18.305 19.000 -0.008 0.000 0.810 195 A HN 0.452 nan 8.150 nan 0.000 0.446 196 K N -0.793 119.546 120.400 -0.101 0.000 2.362 196 K HA 0.043 4.366 4.320 0.005 0.000 0.200 196 K C 1.408 177.954 176.600 -0.089 0.000 1.046 196 K CA 1.078 57.324 56.287 -0.068 0.000 0.952 196 K CB -0.172 32.315 32.500 -0.022 0.000 0.753 196 K HN 0.597 nan 8.250 nan 0.000 0.466 197 I N -0.361 120.101 120.570 -0.180 0.000 2.729 197 I HA -0.048 4.125 4.170 0.005 0.000 0.256 197 I C 2.317 178.321 176.117 -0.188 0.000 1.115 197 I CA 0.357 61.566 61.300 -0.152 0.000 1.446 197 I CB -0.113 37.794 38.000 -0.154 0.000 1.176 197 I HN -0.008 nan 8.210 nan 0.000 0.446 198 A N 1.148 123.640 122.820 -0.547 0.000 1.898 198 A HA -0.152 4.171 4.320 0.005 0.000 0.216 198 A C 2.304 179.837 177.584 -0.084 0.000 1.181 198 A CA 1.344 53.083 52.037 -0.497 0.000 0.620 198 A CB -0.354 17.898 19.000 -1.247 0.000 0.819 198 A HN 0.226 nan 8.150 nan 0.000 0.442 199 M N -0.639 118.899 119.600 -0.105 0.000 2.086 199 M HA -0.050 4.433 4.480 0.005 0.000 0.261 199 M C -0.410 175.950 176.300 0.099 0.000 1.067 199 M CA 1.374 56.683 55.300 0.014 0.000 1.116 199 M CB -2.531 30.058 32.600 -0.018 0.000 1.348 199 M HN 0.131 nan 8.290 nan 0.000 0.407 200 P HA -0.057 nan 4.420 nan 0.000 0.217 200 P C 1.549 178.969 177.300 0.200 0.000 1.150 200 P CA 1.362 64.548 63.100 0.143 0.000 0.832 200 P CB -0.182 31.569 31.700 0.085 0.000 0.787 201 T N 0.029 114.690 114.554 0.177 0.000 2.708 201 T HA -0.145 4.208 4.350 0.005 0.000 0.266 201 T C 1.723 176.531 174.700 0.181 0.000 1.037 201 T CA 0.979 63.194 62.100 0.193 0.000 1.146 201 T CB -1.008 68.047 68.868 0.312 0.000 0.865 201 T HN 0.060 nan 8.240 nan 0.000 0.435 202 L N 0.098 121.455 121.223 0.224 0.000 2.042 202 L HA -0.091 4.252 4.340 0.005 0.000 0.210 202 L C 2.270 179.246 176.870 0.176 0.000 1.076 202 L CA 1.606 56.548 54.840 0.170 0.000 0.749 202 L CB -0.377 41.795 42.059 0.189 0.000 0.893 202 L HN 0.216 nan 8.230 nan 0.000 0.432 203 F N 0.756 120.756 119.950 0.083 0.000 2.095 203 F HA -0.262 4.267 4.527 0.004 0.000 0.298 203 F C 2.135 177.977 175.800 0.071 0.000 1.104 203 F CA 1.923 59.973 58.000 0.083 0.000 1.232 203 F CB -0.352 38.687 39.000 0.065 0.000 0.987 203 F HN 0.010 nan 8.300 nan 0.000 0.475 204 I N -0.105 120.449 120.570 -0.027 0.000 2.226 204 I HA -0.332 3.841 4.170 0.005 0.000 0.245 204 I C 2.434 178.493 176.117 -0.096 0.000 1.100 204 I CA 1.303 62.525 61.300 -0.131 0.000 1.374 204 I CB -0.600 37.400 38.000 0.001 0.000 1.057 204 I HN 0.197 nan 8.210 nan 0.000 0.413 205 L N 0.458 121.656 121.223 -0.042 0.000 2.046 205 L HA -0.198 4.145 4.340 0.005 0.000 0.208 205 L C 2.875 179.739 176.870 -0.010 0.000 1.077 205 L CA 1.379 56.205 54.840 -0.023 0.000 0.747 205 L CB -0.720 41.309 42.059 -0.051 0.000 0.896 205 L HN 0.242 nan 8.230 nan 0.000 0.432 206 A N -0.374 122.411 122.820 -0.058 0.000 1.902 206 A HA -0.148 4.175 4.320 0.005 0.000 0.217 206 A C 2.328 179.866 177.584 -0.078 0.000 1.181 206 A CA 1.762 53.782 52.037 -0.028 0.000 0.623 206 A CB -0.823 18.234 19.000 0.095 0.000 0.818 206 A HN 0.189 nan 8.150 nan 0.000 0.443 207 V N -1.207 118.576 119.914 -0.218 0.000 2.295 207 V HA -0.238 3.885 4.120 0.005 0.000 0.246 207 V C 2.280 178.280 176.094 -0.157 0.000 1.049 207 V CA 2.129 64.268 62.300 -0.268 0.000 1.024 207 V CB -0.957 30.583 31.823 -0.472 0.000 0.648 207 V HN 0.625 nan 8.190 nan 0.000 0.447 208 F N 0.396 120.221 119.950 -0.209 0.000 2.126 208 F HA -0.197 4.334 4.527 0.006 0.000 0.299 208 F C 2.043 177.749 175.800 -0.157 0.000 1.096 208 F CA 1.686 59.592 58.000 -0.156 0.000 1.255 208 F CB -0.300 38.630 39.000 -0.118 0.000 0.997 208 F HN 0.028 nan 8.300 nan 0.000 0.479 209 L N -0.885 120.251 121.223 -0.145 0.000 2.083 209 L HA -0.216 4.127 4.340 0.005 0.000 0.209 209 L C 2.380 179.080 176.870 -0.284 0.000 1.083 209 L CA 0.918 55.626 54.840 -0.221 0.000 0.752 209 L CB -0.800 41.251 42.059 -0.014 0.000 0.899 209 L HN 0.005 nan 8.230 nan 0.000 0.433 210 V N 0.219 119.959 119.914 -0.290 0.000 2.343 210 V HA -0.304 3.819 4.120 0.005 0.000 0.247 210 V C 2.314 177.991 176.094 -0.694 0.000 1.051 210 V CA 1.863 63.867 62.300 -0.493 0.000 1.036 210 V CB -0.310 31.193 31.823 -0.533 0.000 0.654 210 V HN 0.318 nan 8.190 nan 0.000 0.451 211 I N -0.258 119.997 120.570 -0.526 0.000 2.179 211 I HA -0.267 3.906 4.170 0.005 0.000 0.242 211 I C 2.731 178.659 176.117 -0.315 0.000 1.088 211 I CA 1.742 62.806 61.300 -0.394 0.000 1.357 211 I CB -0.401 37.413 38.000 -0.310 0.000 1.051 211 I HN 0.233 nan 8.210 nan 0.000 0.409 212 R N 1.015 121.234 120.500 -0.469 0.000 2.081 212 R HA -0.115 4.227 4.340 0.005 0.000 0.235 212 R C 2.075 178.265 176.300 -0.183 0.000 1.131 212 R CA 1.557 57.418 56.100 -0.397 0.000 0.960 212 R CB -0.837 29.101 30.300 -0.604 0.000 0.856 212 R HN 0.148 nan 8.270 nan 0.000 0.436 213 V N 0.368 120.202 119.914 -0.133 0.000 2.407 213 V HA -0.189 3.934 4.120 0.005 0.000 0.248 213 V C 1.775 178.019 176.094 0.250 0.000 1.055 213 V CA 1.518 63.858 62.300 0.067 0.000 1.049 213 V CB -0.641 31.239 31.823 0.095 0.000 0.662 213 V HN 0.217 nan 8.190 nan 0.000 0.455 214 F N -0.356 119.567 119.950 -0.047 0.000 2.546 214 F HA 0.010 4.542 4.527 0.008 0.000 0.298 214 F C 1.849 177.633 175.800 -0.028 0.000 1.120 214 F CA 0.593 58.578 58.000 -0.025 0.000 1.456 214 F CB -0.766 38.216 39.000 -0.030 0.000 1.088 214 F HN 0.149 nan 8.300 nan 0.000 0.572 215 L N -0.741 120.564 121.223 0.137 0.000 2.567 215 L HA 0.065 4.408 4.340 0.005 0.000 0.225 215 L C 0.595 177.497 176.870 0.053 0.000 1.119 215 L CA 0.008 54.884 54.840 0.059 0.000 0.871 215 L CB -0.209 41.855 42.059 0.008 0.000 1.036 215 L HN -0.127 nan 8.230 nan 0.000 0.459 216 L N 1.377 122.655 121.223 0.091 0.000 2.410 216 L HA 0.115 4.458 4.340 0.005 0.000 0.273 216 L C 0.112 177.005 176.870 0.040 0.000 1.144 216 L CA 0.436 55.346 54.840 0.117 0.000 0.863 216 L CB 0.489 42.687 42.059 0.232 0.000 1.140 216 L HN 0.124 nan 8.230 nan 0.000 0.463 217 E N 2.797 122.979 120.200 -0.029 0.000 2.291 217 E HA 0.486 4.839 4.350 0.005 0.000 0.276 217 E C -0.964 175.514 176.600 -0.203 0.000 0.896 217 E CA -0.582 55.761 56.400 -0.096 0.000 0.774 217 E CB 1.855 31.515 29.700 -0.067 0.000 1.227 217 E HN 0.606 nan 8.360 nan 0.000 0.413 218 T N 0.476 114.868 114.554 -0.271 0.000 2.804 218 T HA 0.508 4.861 4.350 0.005 0.000 0.290 218 T C -2.144 172.412 174.700 -0.239 0.000 1.099 218 T CA -1.653 60.227 62.100 -0.367 0.000 1.011 218 T CB 1.276 69.734 68.868 -0.683 0.000 1.291 218 T HN 0.201 nan 8.240 nan 0.000 0.523 219 P HA 0.106 nan 4.420 nan 0.000 0.225 219 P C 0.908 178.132 177.300 -0.126 0.000 1.148 219 P CA 0.582 63.596 63.100 -0.144 0.000 0.779 219 P CB 0.038 31.663 31.700 -0.126 0.000 0.780 220 N N -1.079 117.525 118.700 -0.161 0.000 2.373 220 N HA 0.160 4.903 4.740 0.005 0.000 0.181 220 N C 1.090 176.542 175.510 -0.096 0.000 1.082 220 N CA 0.879 53.860 53.050 -0.115 0.000 0.885 220 N CB 0.772 39.189 38.487 -0.116 0.000 0.977 220 N HN 0.146 nan 8.380 nan 0.000 0.462 221 G N -0.426 108.305 108.800 -0.115 0.000 2.356 221 G HA2 0.189 4.152 3.960 0.005 0.000 0.288 221 G HA3 0.189 4.152 3.960 0.005 0.000 0.288 221 G C -1.252 173.599 174.900 -0.082 0.000 1.302 221 G CA -0.287 44.765 45.100 -0.080 0.000 0.887 221 G HN 0.157 nan 8.290 nan 0.000 0.521 222 T N -2.938 111.584 114.554 -0.053 0.000 2.887 222 T HA 0.754 5.107 4.350 0.005 0.000 0.292 222 T C 1.528 176.213 174.700 -0.025 0.000 1.087 222 T CA 0.622 62.695 62.100 -0.044 0.000 1.009 222 T CB 1.562 70.396 68.868 -0.056 0.000 1.203 222 T HN 2.059 nan 8.240 nan 0.000 0.518 223 A N 0.501 123.308 122.820 -0.022 0.000 1.972 223 A HA 0.241 4.563 4.320 0.005 0.000 0.219 223 A C 2.522 180.041 177.584 -0.108 0.000 1.169 223 A CA 1.915 53.939 52.037 -0.022 0.000 0.635 223 A CB -1.508 17.498 19.000 0.010 0.000 0.810 223 A HN 1.327 nan 8.150 nan 0.000 0.446 224 A N 0.217 122.944 122.820 -0.156 0.000 1.940 224 A HA -0.206 4.116 4.320 0.005 0.000 0.219 224 A C 1.717 179.275 177.584 -0.043 0.000 1.176 224 A CA 1.767 53.715 52.037 -0.149 0.000 0.631 224 A CB -0.536 18.384 19.000 -0.133 0.000 0.814 224 A HN 0.498 nan 8.150 nan 0.000 0.446 225 D N -0.323 120.066 120.400 -0.019 0.000 2.218 225 D HA -0.101 4.542 4.640 0.005 0.000 0.204 225 D C 1.988 178.333 176.300 0.076 0.000 0.976 225 D CA 1.373 55.386 54.000 0.021 0.000 0.853 225 D CB -0.491 40.310 40.800 0.001 0.000 0.939 225 D HN 0.485 nan 8.370 nan 0.000 0.481 226 G N 0.848 109.691 108.800 0.072 0.000 2.394 226 G HA2 -0.148 3.815 3.960 0.005 0.000 0.215 226 G HA3 -0.148 3.815 3.960 0.005 0.000 0.215 226 G C 1.826 176.848 174.900 0.203 0.000 1.165 226 G CA 0.060 45.244 45.100 0.141 0.000 0.784 226 G HN 0.228 nan 8.290 nan 0.000 0.535 227 L N 0.649 121.966 121.223 0.157 0.000 2.083 227 L HA -0.077 4.266 4.340 0.005 0.000 0.209 227 L C 2.685 179.723 176.870 0.279 0.000 1.083 227 L CA 0.816 55.813 54.840 0.261 0.000 0.752 227 L CB -0.435 41.717 42.059 0.155 0.000 0.899 227 L HN 0.147 nan 8.230 nan 0.000 0.433 228 N N 0.074 118.876 118.700 0.171 0.000 2.166 228 N HA -0.218 4.525 4.740 0.005 0.000 0.186 228 N C 1.745 177.340 175.510 0.141 0.000 1.019 228 N CA 1.309 54.447 53.050 0.146 0.000 0.856 228 N CB -0.402 38.142 38.487 0.095 0.000 0.993 228 N HN 0.246 nan 8.380 nan 0.000 0.426 229 F N 1.639 121.598 119.950 0.015 0.000 2.134 229 F HA -0.076 4.452 4.527 0.001 0.000 0.299 229 F C 2.047 177.799 175.800 -0.079 0.000 1.097 229 F CA 0.758 58.739 58.000 -0.032 0.000 1.264 229 F CB -0.389 38.584 39.000 -0.045 0.000 1.001 229 F HN -0.047 nan 8.300 nan 0.000 0.479 230 L N -1.159 119.877 121.223 -0.311 0.000 2.179 230 L HA -0.022 4.320 4.340 0.005 0.000 0.208 230 L C 0.872 177.358 176.870 -0.640 0.000 1.096 230 L CA 1.572 56.049 54.840 -0.604 0.000 0.779 230 L CB -0.705 41.074 42.059 -0.468 0.000 0.922 230 L HN 0.225 nan 8.230 nan 0.000 0.443 231 W N -0.675 120.551 121.300 -0.122 0.000 3.102 231 W HA 0.344 5.005 4.660 0.002 0.000 0.401 231 W C 0.188 176.648 176.519 -0.099 0.000 1.070 231 W CA -0.392 56.901 57.345 -0.085 0.000 1.921 231 W CB 0.046 29.487 29.460 -0.032 0.000 1.118 231 W HN -0.194 nan 8.180 nan 0.000 0.647 232 T N 2.019 116.569 114.554 -0.008 0.000 2.770 232 T HA 0.270 4.623 4.350 0.005 0.000 0.297 232 T C -2.317 172.289 174.700 -0.157 0.000 0.997 232 T CA -1.537 60.539 62.100 -0.040 0.000 0.949 232 T CB 1.185 70.038 68.868 -0.026 0.000 0.941 232 T HN -0.436 nan 8.240 nan 0.000 0.457 233 P HA 0.121 nan 4.420 nan 0.000 0.266 233 P C -0.387 176.606 177.300 -0.513 0.000 1.193 233 P CA -0.015 62.808 63.100 -0.462 0.000 0.770 233 P CB 0.464 31.770 31.700 -0.656 0.000 0.836 234 D N 2.332 122.396 120.400 -0.561 0.000 2.517 234 D HA 0.116 4.759 4.640 0.005 0.000 0.263 234 D C 0.087 176.229 176.300 -0.263 0.000 1.233 234 D CA -0.300 53.502 54.000 -0.330 0.000 0.849 234 D CB 0.038 40.730 40.800 -0.179 0.000 1.261 234 D HN 0.052 nan 8.370 nan 0.000 0.516 235 F N 0.956 120.919 119.950 0.023 0.000 2.583 235 F HA 0.011 4.540 4.527 0.003 0.000 0.297 235 F C 1.994 177.825 175.800 0.051 0.000 1.131 235 F CA 0.633 58.657 58.000 0.040 0.000 1.467 235 F CB -0.126 38.902 39.000 0.046 0.000 1.097 235 F HN 0.293 nan 8.300 nan 0.000 0.586 236 E N -0.121 120.174 120.200 0.158 0.000 2.476 236 E HA -0.025 4.328 4.350 0.005 0.000 0.191 236 E C 1.440 178.099 176.600 0.099 0.000 1.064 236 E CA 0.123 56.597 56.400 0.123 0.000 0.866 236 E CB 0.100 29.852 29.700 0.088 0.000 0.952 236 E HN 0.224 nan 8.360 nan 0.000 0.492 237 K N -0.092 120.361 120.400 0.089 0.000 2.402 237 K HA 0.179 4.502 4.320 0.005 0.000 0.203 237 K C 1.617 178.295 176.600 0.130 0.000 1.077 237 K CA -0.029 56.303 56.287 0.076 0.000 1.051 237 K CB 0.542 33.049 32.500 0.011 0.000 0.907 237 K HN 0.137 nan 8.250 nan 0.000 0.554 238 L N 0.721 122.059 121.223 0.192 0.000 2.349 238 L HA -0.149 4.194 4.340 0.005 0.000 0.220 238 L C 1.098 178.272 176.870 0.507 0.000 1.130 238 L CA 1.156 56.212 54.840 0.359 0.000 0.791 238 L CB -0.227 42.059 42.059 0.377 0.000 0.918 238 L HN -0.065 nan 8.230 nan 0.000 0.444 239 K N -0.886 119.693 120.400 0.299 0.000 2.404 239 K HA 0.069 4.392 4.320 0.005 0.000 0.194 239 K C 0.145 176.874 176.600 0.216 0.000 1.023 239 K CA 0.074 56.498 56.287 0.227 0.000 1.094 239 K CB -0.075 32.510 32.500 0.142 0.000 0.841 239 K HN 0.004 nan 8.250 nan 0.000 0.523 240 D N 0.477 121.035 120.400 0.263 0.000 2.317 240 D HA 0.114 4.756 4.640 0.005 0.000 0.234 240 D C -1.954 174.533 176.300 0.311 0.000 1.112 240 D CA -2.240 51.889 54.000 0.214 0.000 0.840 240 D CB 1.687 42.572 40.800 0.142 0.000 1.078 240 D HN -0.140 nan 8.370 nan 0.000 0.486 241 P HA -0.064 nan 4.420 nan 0.000 0.216 241 P C 1.335 178.737 177.300 0.170 0.000 1.150 241 P CA 0.967 64.200 63.100 0.221 0.000 0.837 241 P CB 0.250 32.044 31.700 0.157 0.000 0.786 242 G N -0.248 108.634 108.800 0.137 0.000 2.440 242 G HA2 -0.254 3.709 3.960 0.005 0.000 0.218 242 G HA3 -0.254 3.709 3.960 0.005 0.000 0.218 242 G C 1.592 176.473 174.900 -0.032 0.000 1.154 242 G CA 0.904 45.994 45.100 -0.017 0.000 0.767 242 G HN 0.168 nan 8.290 nan 0.000 0.552 243 V N -0.649 119.288 119.914 0.039 0.000 2.427 243 V HA -0.138 3.984 4.120 0.005 0.000 0.248 243 V C 2.414 178.475 176.094 -0.056 0.000 1.051 243 V CA 1.621 63.920 62.300 -0.002 0.000 1.048 243 V CB -0.642 31.136 31.823 -0.076 0.000 0.666 243 V HN 0.563 nan 8.190 nan 0.000 0.456 244 W N -0.193 121.107 121.300 -0.001 0.000 2.388 244 W HA -0.042 4.621 4.660 0.005 0.000 0.294 244 W C 2.333 178.814 176.519 -0.063 0.000 1.212 244 W CA 0.954 58.296 57.345 -0.005 0.000 1.271 244 W CB -0.363 29.088 29.460 -0.014 0.000 1.126 244 W HN 0.143 nan 8.180 nan 0.000 0.535 245 I N -0.122 120.453 120.570 0.008 0.000 2.252 245 I HA -0.291 3.882 4.170 0.005 0.000 0.245 245 I C 2.533 178.565 176.117 -0.142 0.000 1.102 245 I CA 1.326 62.447 61.300 -0.297 0.000 1.385 245 I CB -0.893 36.630 38.000 -0.795 0.000 1.064 245 I HN -0.038 nan 8.210 nan 0.000 0.414 246 A N 0.791 123.593 122.820 -0.031 0.000 1.873 246 A HA -0.133 4.189 4.320 0.005 0.000 0.215 246 A C 2.556 180.373 177.584 0.388 0.000 1.186 246 A CA 1.761 53.890 52.037 0.153 0.000 0.616 246 A CB -0.794 18.304 19.000 0.165 0.000 0.823 246 A HN 0.415 nan 8.150 nan 0.000 0.442 247 A N -0.498 122.495 122.820 0.289 0.000 1.877 247 A HA -0.031 4.292 4.320 0.005 0.000 0.216 247 A C 2.235 179.969 177.584 0.250 0.000 1.186 247 A CA 1.919 53.999 52.037 0.071 0.000 0.620 247 A CB -1.038 17.758 19.000 -0.340 0.000 0.822 247 A HN 0.421 nan 8.150 nan 0.000 0.443 248 V N -0.012 120.081 119.914 0.298 0.000 2.343 248 V HA -0.169 3.954 4.120 0.005 0.000 0.247 248 V C 2.813 179.239 176.094 0.554 0.000 1.051 248 V CA 1.904 64.467 62.300 0.438 0.000 1.036 248 V CB -1.510 30.596 31.823 0.471 0.000 0.654 248 V HN 0.624 nan 8.190 nan 0.000 0.451 249 G N -0.723 108.354 108.800 0.462 0.000 2.418 249 G HA2 -0.355 3.607 3.960 0.005 0.000 0.217 249 G HA3 -0.355 3.607 3.960 0.005 0.000 0.217 249 G C 1.533 176.760 174.900 0.545 0.000 1.158 249 G CA 1.127 46.528 45.100 0.503 0.000 0.771 249 G HN 0.510 nan 8.290 nan 0.000 0.545 250 Q N 0.175 120.283 119.800 0.514 0.000 2.079 250 Q HA -0.016 4.327 4.340 0.005 0.000 0.200 250 Q C 2.424 178.764 176.000 0.567 0.000 0.974 250 Q CA 0.909 57.052 55.803 0.567 0.000 0.840 250 Q CB -0.325 28.836 28.738 0.705 0.000 0.898 250 Q HN 0.373 nan 8.270 nan 0.000 0.430 251 I N 0.011 120.847 120.570 0.443 0.000 2.226 251 I HA -0.231 3.941 4.170 0.005 0.000 0.245 251 I C 1.891 178.177 176.117 0.281 0.000 1.100 251 I CA 1.301 62.748 61.300 0.246 0.000 1.374 251 I CB -1.086 36.950 38.000 0.061 0.000 1.057 251 I HN 0.215 nan 8.210 nan 0.000 0.413 252 F N 0.248 120.385 119.950 0.312 0.000 2.075 252 F HA -0.273 4.256 4.527 0.004 0.000 0.297 252 F C 2.529 178.609 175.800 0.467 0.000 1.113 252 F CA 1.828 60.024 58.000 0.326 0.000 1.218 252 F CB -0.818 38.355 39.000 0.289 0.000 0.984 252 F HN -0.070 nan 8.300 nan 0.000 0.472 253 F N 0.132 120.449 119.950 0.612 0.000 2.069 253 F HA -0.258 4.272 4.527 0.005 0.000 0.298 253 F C 2.746 178.719 175.800 0.289 0.000 1.113 253 F CA 2.161 60.489 58.000 0.547 0.000 1.214 253 F CB -0.872 38.398 39.000 0.451 0.000 0.978 253 F HN -0.121 nan 8.300 nan 0.000 0.474 254 T N 0.003 114.860 114.554 0.504 0.000 2.867 254 T HA -0.089 4.263 4.350 0.005 0.000 0.268 254 T C 1.765 176.532 174.700 0.112 0.000 1.057 254 T CA 1.277 63.555 62.100 0.297 0.000 1.136 254 T CB -0.335 68.719 68.868 0.310 0.000 0.874 254 T HN 0.235 nan 8.240 nan 0.000 0.466 255 L N 0.558 121.855 121.223 0.124 0.000 2.592 255 L HA 0.253 4.595 4.340 0.005 0.000 0.227 255 L C 0.968 177.846 176.870 0.013 0.000 1.127 255 L CA 0.016 54.890 54.840 0.056 0.000 0.884 255 L CB 0.007 42.098 42.059 0.053 0.000 1.065 255 L HN 0.148 nan 8.230 nan 0.000 0.457 256 S N 0.432 116.116 115.700 -0.026 0.000 3.635 256 S HA -0.149 4.323 4.470 0.005 0.000 0.328 256 S C 0.237 175.015 174.600 0.297 0.000 1.135 256 S CA 0.348 58.476 58.200 -0.120 0.000 0.942 256 S CB -1.854 61.174 63.200 -0.287 0.000 0.930 256 S HN 0.284 nan 8.310 nan 0.000 0.512 257 L N 0.518 121.985 121.223 0.405 0.000 2.326 257 L HA 0.580 4.923 4.340 0.005 0.000 0.278 257 L C 1.499 178.678 176.870 0.514 0.000 1.092 257 L CA 0.421 55.462 54.840 0.334 0.000 0.810 257 L CB 0.844 42.911 42.059 0.013 0.000 1.153 257 L HN 0.455 nan 8.230 nan 0.000 0.439 258 G N 2.017 111.059 108.800 0.403 0.000 2.143 258 G HA2 -0.313 3.649 3.960 0.005 0.000 0.249 258 G HA3 -0.313 3.649 3.960 0.005 0.000 0.249 258 G C 0.286 175.286 174.900 0.166 0.000 0.981 258 G CA 0.177 45.507 45.100 0.384 0.000 0.665 258 G HN 0.576 nan 8.290 nan 0.000 0.528 259 F N 0.289 120.362 119.950 0.205 0.000 2.678 259 F HA 0.417 4.947 4.527 0.004 0.000 0.305 259 F C 2.144 177.955 175.800 0.019 0.000 1.090 259 F CA 0.733 58.759 58.000 0.043 0.000 1.272 259 F CB 0.757 39.710 39.000 -0.079 0.000 1.060 259 F HN 0.626 nan 8.300 nan 0.000 0.576 260 G N 0.622 109.594 108.800 0.287 0.000 2.189 260 G HA2 -0.395 3.568 3.960 0.005 0.000 0.267 260 G HA3 -0.395 3.568 3.960 0.005 0.000 0.267 260 G C 1.365 176.317 174.900 0.086 0.000 0.975 260 G CA 0.585 45.804 45.100 0.199 0.000 0.644 260 G HN 0.527 nan 8.290 nan 0.000 0.537 261 A N 0.172 123.018 122.820 0.043 0.000 1.897 261 A HA 0.336 4.658 4.320 0.005 0.000 0.215 261 A C 2.328 179.797 177.584 -0.191 0.000 1.181 261 A CA 1.793 53.757 52.037 -0.121 0.000 0.620 261 A CB -0.247 18.596 19.000 -0.262 0.000 0.821 261 A HN 0.475 nan 8.150 nan 0.000 0.443 262 I N 0.242 120.727 120.570 -0.142 0.000 2.252 262 I HA -0.204 3.969 4.170 0.005 0.000 0.245 262 I C 2.403 178.420 176.117 -0.167 0.000 1.102 262 I CA 1.165 62.342 61.300 -0.205 0.000 1.385 262 I CB -1.128 36.798 38.000 -0.124 0.000 1.064 262 I HN 0.307 nan 8.210 nan 0.000 0.414 263 I N 0.555 121.093 120.570 -0.055 0.000 2.163 263 I HA -0.314 3.858 4.170 0.005 0.000 0.243 263 I C 2.490 178.593 176.117 -0.023 0.000 1.085 263 I CA 1.646 62.928 61.300 -0.030 0.000 1.347 263 I CB -0.634 37.383 38.000 0.027 0.000 1.044 263 I HN 0.202 nan 8.210 nan 0.000 0.408 264 T N -0.198 114.372 114.554 0.027 0.000 2.746 264 T HA -0.196 4.157 4.350 0.005 0.000 0.267 264 T C 1.840 176.644 174.700 0.174 0.000 1.039 264 T CA 1.360 63.497 62.100 0.061 0.000 1.142 264 T CB -0.356 68.602 68.868 0.150 0.000 0.866 264 T HN 0.173 nan 8.240 nan 0.000 0.444 265 Y N 1.521 121.865 120.300 0.072 0.000 2.181 265 Y HA 0.034 4.587 4.550 0.005 0.000 0.288 265 Y C 2.685 178.727 175.900 0.237 0.000 1.146 265 Y CA 0.132 58.416 58.100 0.305 0.000 1.164 265 Y CB -1.072 37.472 38.460 0.139 0.000 0.982 265 Y HN 0.212 nan 8.280 nan 0.000 0.515 266 A N -0.710 122.128 122.820 0.030 0.000 2.121 266 A HA -0.126 4.196 4.320 0.005 0.000 0.218 266 A C 2.344 179.940 177.584 0.020 0.000 1.154 266 A CA 1.484 53.470 52.037 -0.084 0.000 0.679 266 A CB -0.940 17.919 19.000 -0.236 0.000 0.795 266 A HN 0.453 nan 8.150 nan 0.000 0.458 267 S N -1.620 113.998 115.700 -0.137 0.000 2.555 267 S HA -0.075 4.398 4.470 0.005 0.000 0.230 267 S C 1.121 175.474 174.600 -0.412 0.000 0.978 267 S CA 0.788 58.807 58.200 -0.302 0.000 0.934 267 S CB -0.643 62.277 63.200 -0.467 0.000 0.766 267 S HN 0.569 nan 8.310 nan 0.000 0.533 268 Y N 1.021 121.372 120.300 0.084 0.000 2.458 268 Y HA 0.474 5.027 4.550 0.004 0.000 0.256 268 Y C 0.558 176.629 175.900 0.284 0.000 1.159 268 Y CA -0.961 57.113 58.100 -0.043 0.000 1.261 268 Y CB 0.001 38.107 38.460 -0.590 0.000 1.119 268 Y HN 0.089 nan 8.280 nan 0.000 0.524 269 V N 2.075 122.268 119.914 0.466 0.000 2.498 269 V HA 0.179 4.302 4.120 0.005 0.000 0.279 269 V C 0.576 176.831 176.094 0.268 0.000 1.048 269 V CA -1.151 61.417 62.300 0.446 0.000 0.967 269 V CB 0.800 32.839 31.823 0.361 0.000 0.988 269 V HN 0.206 nan 8.190 nan 0.000 0.473 270 R N 2.945 123.516 120.500 0.119 0.000 2.640 270 R HA 0.017 4.360 4.340 0.005 0.000 0.270 270 R C 1.577 177.892 176.300 0.025 0.000 1.024 270 R CA -0.102 55.947 56.100 -0.086 0.000 1.085 270 R CB 0.428 30.613 30.300 -0.192 0.000 0.963 270 R HN 0.667 nan 8.270 nan 0.000 0.426 271 K N 2.115 122.523 120.400 0.012 0.000 2.173 271 K HA -0.233 4.089 4.320 0.005 0.000 0.207 271 K C 0.921 177.552 176.600 0.052 0.000 1.046 271 K CA 2.243 58.559 56.287 0.047 0.000 0.929 271 K CB 0.065 32.583 32.500 0.030 0.000 0.720 271 K HN 0.690 nan 8.250 nan 0.000 0.453 272 D N -0.395 120.020 120.400 0.026 0.000 2.333 272 D HA -0.111 4.531 4.640 0.005 0.000 0.208 272 D C 0.373 176.693 176.300 0.034 0.000 0.984 272 D CA 0.091 54.106 54.000 0.026 0.000 0.873 272 D CB -0.105 40.700 40.800 0.007 0.000 0.935 272 D HN 0.264 nan 8.370 nan 0.000 0.521 273 Q N 1.401 121.232 119.800 0.051 0.000 2.337 273 Q HA 0.049 4.392 4.340 0.005 0.000 0.270 273 Q C -0.550 175.498 176.000 0.080 0.000 1.002 273 Q CA -0.217 55.628 55.803 0.070 0.000 0.888 273 Q CB 0.938 29.740 28.738 0.107 0.000 1.222 273 Q HN 0.124 nan 8.270 nan 0.000 0.400 274 D N 2.183 122.612 120.400 0.048 0.000 2.443 274 D HA -0.019 4.624 4.640 0.005 0.000 0.239 274 D C 0.677 176.997 176.300 0.034 0.000 1.136 274 D CA 0.354 54.361 54.000 0.012 0.000 0.879 274 D CB 0.493 41.278 40.800 -0.024 0.000 1.195 274 D HN 0.573 nan 8.370 nan 0.000 0.443 275 I N 0.133 120.692 120.570 -0.018 0.000 4.526 275 I HA 0.106 4.279 4.170 0.005 0.000 0.330 275 I C 0.839 176.797 176.117 -0.265 0.000 1.323 275 I CA -0.498 60.759 61.300 -0.072 0.000 1.218 275 I CB 0.228 38.365 38.000 0.229 0.000 1.233 275 I HN 0.281 nan 8.210 nan 0.000 0.430 276 V N 1.675 121.462 119.914 -0.211 0.000 2.255 276 V HA -0.199 3.924 4.120 0.005 0.000 0.243 276 V C 2.473 178.559 176.094 -0.013 0.000 1.038 276 V CA 2.097 64.252 62.300 -0.242 0.000 1.008 276 V CB -0.432 31.141 31.823 -0.416 0.000 0.645 276 V HN 0.456 nan 8.190 nan 0.000 0.449 277 L N -0.062 121.104 121.223 -0.095 0.000 2.072 277 L HA -0.060 4.283 4.340 0.005 0.000 0.205 277 L C 2.489 179.272 176.870 -0.145 0.000 1.079 277 L CA 1.944 56.746 54.840 -0.064 0.000 0.752 277 L CB -0.656 41.369 42.059 -0.058 0.000 0.906 277 L HN 0.251 nan 8.230 nan 0.000 0.436 278 S N -0.182 115.366 115.700 -0.253 0.000 2.356 278 S HA -0.116 4.357 4.470 0.005 0.000 0.223 278 S C 1.884 176.080 174.600 -0.673 0.000 1.032 278 S CA 1.166 59.149 58.200 -0.361 0.000 1.005 278 S CB -0.965 62.046 63.200 -0.314 0.000 0.867 278 S HN 0.691 nan 8.310 nan 0.000 0.449 279 G N 1.522 109.619 108.800 -1.171 0.000 2.418 279 G HA2 -0.159 3.804 3.960 0.005 0.000 0.217 279 G HA3 -0.159 3.804 3.960 0.005 0.000 0.217 279 G C 1.396 175.958 174.900 -0.563 0.000 1.158 279 G CA 0.868 45.170 45.100 -1.329 0.000 0.771 279 G HN 0.424 nan 8.290 nan 0.000 0.545 280 L N 0.979 121.991 121.223 -0.351 0.000 2.083 280 L HA 0.013 4.356 4.340 0.005 0.000 0.209 280 L C 2.836 179.620 176.870 -0.143 0.000 1.083 280 L CA 2.482 57.163 54.840 -0.265 0.000 0.752 280 L CB -0.862 41.183 42.059 -0.023 0.000 0.899 280 L HN 0.172 nan 8.230 nan 0.000 0.433 281 T N -0.220 114.262 114.554 -0.120 0.000 2.737 281 T HA -0.104 4.248 4.350 0.005 0.000 0.265 281 T C 1.923 176.598 174.700 -0.042 0.000 1.038 281 T CA 1.270 63.331 62.100 -0.065 0.000 1.144 281 T CB -0.502 68.329 68.868 -0.061 0.000 0.866 281 T HN 0.520 nan 8.240 nan 0.000 0.434 282 A N 1.528 124.331 122.820 -0.030 0.000 1.902 282 A HA 0.116 4.439 4.320 0.005 0.000 0.217 282 A C 2.638 180.239 177.584 0.029 0.000 1.181 282 A CA 1.904 53.969 52.037 0.046 0.000 0.623 282 A CB -1.125 17.995 19.000 0.199 0.000 0.818 282 A HN 0.505 nan 8.150 nan 0.000 0.443 283 A N -1.151 121.669 122.820 -0.000 0.000 1.902 283 A HA -0.077 4.246 4.320 0.005 0.000 0.217 283 A C 2.306 179.934 177.584 0.074 0.000 1.181 283 A CA 2.279 54.343 52.037 0.045 0.000 0.623 283 A CB -1.213 17.771 19.000 -0.025 0.000 0.818 283 A HN 0.429 nan 8.150 nan 0.000 0.443 284 T N 0.385 114.966 114.554 0.045 0.000 2.777 284 T HA -0.037 4.316 4.350 0.005 0.000 0.266 284 T C 1.800 176.480 174.700 -0.033 0.000 1.040 284 T CA 1.310 63.420 62.100 0.016 0.000 1.141 284 T CB -0.342 68.539 68.868 0.021 0.000 0.868 284 T HN 0.352 nan 8.240 nan 0.000 0.444 285 L N 1.168 122.376 121.223 -0.024 0.000 2.083 285 L HA -0.125 4.218 4.340 0.005 0.000 0.209 285 L C 2.589 179.442 176.870 -0.028 0.000 1.083 285 L CA 1.292 56.115 54.840 -0.029 0.000 0.752 285 L CB -0.545 41.498 42.059 -0.026 0.000 0.899 285 L HN 0.298 nan 8.230 nan 0.000 0.433 286 N N -0.227 118.458 118.700 -0.026 0.000 2.120 286 N HA -0.210 4.533 4.740 0.005 0.000 0.188 286 N C 1.813 177.264 175.510 -0.099 0.000 1.024 286 N CA 1.160 54.186 53.050 -0.039 0.000 0.852 286 N CB 0.116 38.594 38.487 -0.014 0.000 1.003 286 N HN 0.130 nan 8.380 nan 0.000 0.424 287 E N 0.652 120.761 120.200 -0.150 0.000 2.110 287 E HA -0.146 4.206 4.350 0.005 0.000 0.193 287 E C 1.772 178.270 176.600 -0.170 0.000 0.988 287 E CA 0.936 57.188 56.400 -0.246 0.000 0.804 287 E CB -0.149 29.244 29.700 -0.511 0.000 0.745 287 E HN 0.523 nan 8.360 nan 0.000 0.458 288 K N 0.488 120.827 120.400 -0.102 0.000 2.057 288 K HA -0.015 4.308 4.320 0.005 0.000 0.206 288 K C 2.140 178.726 176.600 -0.023 0.000 1.050 288 K CA 1.103 57.367 56.287 -0.039 0.000 0.935 288 K CB -0.104 32.394 32.500 -0.003 0.000 0.715 288 K HN 0.041 nan 8.250 nan 0.000 0.439 289 A N 1.308 124.109 122.820 -0.032 0.000 1.969 289 A HA -0.210 4.113 4.320 0.005 0.000 0.218 289 A C 2.033 179.480 177.584 -0.229 0.000 1.169 289 A CA 1.632 53.652 52.037 -0.028 0.000 0.635 289 A CB -0.302 18.708 19.000 0.017 0.000 0.810 289 A HN 0.388 nan 8.150 nan 0.000 0.445 290 E N -0.082 119.941 120.200 -0.294 0.000 2.014 290 E HA -0.110 4.243 4.350 0.005 0.000 0.190 290 E C 1.984 178.217 176.600 -0.611 0.000 0.980 290 E CA 1.759 57.855 56.400 -0.506 0.000 0.807 290 E CB -0.187 29.215 29.700 -0.496 0.000 0.770 290 E HN 0.440 nan 8.360 nan 0.000 0.451 291 V N -0.753 118.878 119.914 -0.472 0.000 2.591 291 V HA -0.068 4.055 4.120 0.005 0.000 0.249 291 V C 2.148 178.336 176.094 0.157 0.000 1.053 291 V CA 1.349 63.505 62.300 -0.240 0.000 1.068 291 V CB -0.501 31.345 31.823 0.039 0.000 0.689 291 V HN 0.282 nan 8.190 nan 0.000 0.462 292 I N -0.443 120.188 120.570 0.101 0.000 2.429 292 I HA 0.001 4.173 4.170 0.005 0.000 0.247 292 I C 2.459 178.664 176.117 0.146 0.000 1.099 292 I CA 1.253 62.647 61.300 0.156 0.000 1.422 292 I CB -0.129 37.931 38.000 0.099 0.000 1.112 292 I HN 0.242 nan 8.210 nan 0.000 0.430 293 L N 0.132 121.418 121.223 0.104 0.000 2.121 293 L HA 0.129 4.472 4.340 0.005 0.000 0.200 293 L C 2.696 179.700 176.870 0.223 0.000 1.077 293 L CA 1.243 56.187 54.840 0.174 0.000 0.766 293 L CB -1.182 41.039 42.059 0.269 0.000 0.931 293 L HN 0.220 nan 8.230 nan 0.000 0.452 294 G N -0.025 108.783 108.800 0.013 0.000 2.418 294 G HA2 -0.190 3.773 3.960 0.005 0.000 0.217 294 G HA3 -0.190 3.773 3.960 0.005 0.000 0.217 294 G C 1.551 176.587 174.900 0.226 0.000 1.158 294 G CA 0.770 45.892 45.100 0.036 0.000 0.771 294 G HN 0.483 nan 8.290 nan 0.000 0.545 295 G N 0.015 108.946 108.800 0.218 0.000 2.484 295 G HA2 0.021 3.984 3.960 0.005 0.000 0.218 295 G HA3 0.021 3.984 3.960 0.005 0.000 0.218 295 G C 1.743 176.824 174.900 0.302 0.000 1.130 295 G CA 1.152 46.464 45.100 0.353 0.000 0.784 295 G HN 0.417 nan 8.290 nan 0.000 0.543 296 S N -0.282 115.594 115.700 0.293 0.000 2.556 296 S HA 0.305 4.778 4.470 0.005 0.000 0.216 296 S C 1.700 176.450 174.600 0.249 0.000 0.970 296 S CA -0.279 58.126 58.200 0.342 0.000 0.912 296 S CB 0.196 63.604 63.200 0.346 0.000 0.790 296 S HN 0.356 nan 8.310 nan 0.000 0.504 297 I N 0.404 121.076 120.570 0.171 0.000 3.025 297 I HA -0.007 4.166 4.170 0.005 0.000 0.236 297 I C 2.184 178.270 176.117 -0.051 0.000 1.063 297 I CA 0.443 61.776 61.300 0.055 0.000 1.476 297 I CB -0.520 37.516 38.000 0.060 0.000 1.331 297 I HN 0.111 nan 8.210 nan 0.000 0.457 298 S N 1.425 117.065 115.700 -0.100 0.000 2.348 298 S HA -0.114 4.359 4.470 0.005 0.000 0.221 298 S C 2.021 176.574 174.600 -0.079 0.000 1.033 298 S CA 1.211 59.300 58.200 -0.184 0.000 1.010 298 S CB -0.252 62.880 63.200 -0.113 0.000 0.891 298 S HN 0.223 nan 8.310 nan 0.000 0.442 299 I N 2.106 122.681 120.570 0.009 0.000 2.142 299 I HA -0.068 4.105 4.170 0.005 0.000 0.240 299 I C -0.804 175.351 176.117 0.064 0.000 1.078 299 I CA 1.145 62.468 61.300 0.039 0.000 1.343 299 I CB -2.702 35.351 38.000 0.089 0.000 1.046 299 I HN 0.169 nan 8.210 nan 0.000 0.405 300 P HA -0.087 nan 4.420 nan 0.000 0.217 300 P C 1.686 179.041 177.300 0.092 0.000 1.150 300 P CA 1.860 65.032 63.100 0.121 0.000 0.832 300 P CB 0.033 31.858 31.700 0.208 0.000 0.787 301 A N 0.024 122.877 122.820 0.054 0.000 1.873 301 A HA -0.096 4.227 4.320 0.005 0.000 0.215 301 A C 2.315 179.911 177.584 0.020 0.000 1.186 301 A CA 2.069 54.115 52.037 0.015 0.000 0.616 301 A CB -1.615 17.309 19.000 -0.127 0.000 0.823 301 A HN 0.181 nan 8.150 nan 0.000 0.442 302 A N -0.594 122.230 122.820 0.006 0.000 1.902 302 A HA 0.002 4.324 4.320 0.005 0.000 0.217 302 A C 2.220 179.905 177.584 0.169 0.000 1.181 302 A CA 1.818 53.928 52.037 0.123 0.000 0.623 302 A CB -0.929 18.102 19.000 0.051 0.000 0.818 302 A HN 0.401 nan 8.150 nan 0.000 0.443 303 V N -0.158 119.796 119.914 0.066 0.000 2.427 303 V HA -0.213 3.910 4.120 0.005 0.000 0.248 303 V C 3.026 179.144 176.094 0.039 0.000 1.051 303 V CA 1.783 64.096 62.300 0.022 0.000 1.048 303 V CB -1.200 30.607 31.823 -0.027 0.000 0.666 303 V HN 0.612 nan 8.190 nan 0.000 0.456 304 A N -0.590 122.270 122.820 0.067 0.000 1.902 304 A HA -0.181 4.142 4.320 0.005 0.000 0.217 304 A C 2.020 179.592 177.584 -0.020 0.000 1.181 304 A CA 1.853 53.916 52.037 0.044 0.000 0.623 304 A CB -0.612 18.457 19.000 0.115 0.000 0.818 304 A HN 0.467 nan 8.150 nan 0.000 0.443 305 F N -2.302 117.513 119.950 -0.225 0.000 2.335 305 F HA 0.154 4.684 4.527 0.006 0.000 0.296 305 F C 1.480 176.912 175.800 -0.613 0.000 1.091 305 F CA 0.925 58.639 58.000 -0.476 0.000 1.399 305 F CB -0.030 38.533 39.000 -0.728 0.000 1.067 305 F HN 0.221 nan 8.300 nan 0.000 0.520 306 F N -0.817 119.188 119.950 0.093 0.000 2.746 306 F HA 0.491 5.020 4.527 0.003 0.000 0.313 306 F C 1.145 176.921 175.800 -0.040 0.000 1.095 306 F CA 0.260 58.268 58.000 0.014 0.000 1.224 306 F CB -0.152 38.847 39.000 -0.001 0.000 1.060 306 F HN -0.071 nan 8.300 nan 0.000 0.584 307 G N 0.405 109.258 108.800 0.089 0.000 2.707 307 G HA2 -0.149 3.813 3.960 0.005 0.000 0.686 307 G HA3 -0.149 3.813 3.960 0.005 0.000 0.686 307 G C 0.436 175.299 174.900 -0.060 0.000 1.315 307 G CA -0.612 44.488 45.100 0.001 0.000 0.832 307 G HN -0.069 nan 8.290 nan 0.000 0.573 308 V N 1.217 121.043 119.914 -0.147 0.000 2.261 308 V HA -0.073 4.050 4.120 0.005 0.000 0.246 308 V C 3.467 179.381 176.094 -0.300 0.000 1.047 308 V CA 3.504 65.605 62.300 -0.331 0.000 1.015 308 V CB -1.457 30.143 31.823 -0.371 0.000 0.642 308 V HN 1.904 nan 8.190 nan 0.000 0.446 309 A N 0.574 123.288 122.820 -0.175 0.000 1.892 309 A HA -0.284 4.039 4.320 0.005 0.000 0.218 309 A C 2.079 179.588 177.584 -0.124 0.000 1.188 309 A CA 2.364 54.322 52.037 -0.132 0.000 0.631 309 A CB -0.752 18.203 19.000 -0.075 0.000 0.822 309 A HN 0.617 nan 8.150 nan 0.000 0.447 310 N N 0.023 118.669 118.700 -0.090 0.000 2.270 310 N HA -0.040 4.703 4.740 0.005 0.000 0.181 310 N C 1.903 177.321 175.510 -0.154 0.000 1.016 310 N CA 1.342 54.331 53.050 -0.101 0.000 0.870 310 N CB -0.506 37.963 38.487 -0.029 0.000 0.979 310 N HN 0.489 nan 8.380 nan 0.000 0.431 311 A N 0.905 123.647 122.820 -0.130 0.000 1.877 311 A HA -0.072 4.251 4.320 0.005 0.000 0.216 311 A C 2.506 179.976 177.584 -0.190 0.000 1.186 311 A CA 1.215 53.164 52.037 -0.147 0.000 0.620 311 A CB -0.767 18.138 19.000 -0.158 0.000 0.822 311 A HN 0.087 nan 8.150 nan 0.000 0.443 312 V N -0.090 119.682 119.914 -0.236 0.000 2.343 312 V HA -0.250 3.873 4.120 0.005 0.000 0.247 312 V C 3.040 179.054 176.094 -0.134 0.000 1.051 312 V CA 1.908 64.097 62.300 -0.185 0.000 1.036 312 V CB -1.210 30.505 31.823 -0.180 0.000 0.654 312 V HN 0.615 nan 8.190 nan 0.000 0.451 313 A N -0.248 122.492 122.820 -0.133 0.000 1.933 313 A HA -0.162 4.160 4.320 0.005 0.000 0.218 313 A C 2.179 179.691 177.584 -0.120 0.000 1.175 313 A CA 1.790 53.760 52.037 -0.112 0.000 0.628 313 A CB -0.510 18.424 19.000 -0.109 0.000 0.814 313 A HN 0.523 nan 8.150 nan 0.000 0.444 314 I N -0.462 120.016 120.570 -0.153 0.000 2.252 314 I HA -0.248 3.925 4.170 0.005 0.000 0.245 314 I C 2.956 179.010 176.117 -0.105 0.000 1.102 314 I CA 0.980 62.190 61.300 -0.151 0.000 1.385 314 I CB -0.319 37.555 38.000 -0.209 0.000 1.064 314 I HN 0.360 nan 8.210 nan 0.000 0.414 315 A N 0.815 123.568 122.820 -0.112 0.000 1.933 315 A HA -0.204 4.119 4.320 0.005 0.000 0.218 315 A C 2.243 179.765 177.584 -0.104 0.000 1.175 315 A CA 1.510 53.483 52.037 -0.107 0.000 0.628 315 A CB -0.406 18.519 19.000 -0.125 0.000 0.814 315 A HN 0.325 nan 8.150 nan 0.000 0.444 316 K N -0.201 120.140 120.400 -0.097 0.000 2.365 316 K HA 0.101 4.424 4.320 0.005 0.000 0.199 316 K C 2.106 178.667 176.600 -0.065 0.000 1.045 316 K CA 0.618 56.854 56.287 -0.085 0.000 0.962 316 K CB -0.214 32.241 32.500 -0.074 0.000 0.759 316 K HN 0.455 nan 8.250 nan 0.000 0.469 317 A N 1.572 124.359 122.820 -0.056 0.000 1.902 317 A HA 0.007 4.329 4.320 0.005 0.000 0.217 317 A C 1.155 178.734 177.584 -0.008 0.000 1.181 317 A CA 1.710 53.731 52.037 -0.026 0.000 0.623 317 A CB -0.214 18.774 19.000 -0.019 0.000 0.818 317 A HN 0.402 nan 8.150 nan 0.000 0.443 318 G N -4.674 104.113 108.800 -0.022 0.000 2.495 318 G HA2 0.522 4.485 3.960 0.005 0.000 0.294 318 G HA3 0.522 4.485 3.960 0.005 0.000 0.294 318 G C 0.297 175.129 174.900 -0.112 0.000 1.397 318 G CA -0.012 45.068 45.100 -0.033 0.000 0.790 318 G HN 0.782 nan 8.290 nan 0.000 0.486 319 A N -1.057 121.599 122.820 -0.274 0.000 2.123 319 A HA 0.456 4.778 4.320 0.005 0.000 0.214 319 A C 1.290 178.589 177.584 -0.475 0.000 1.152 319 A CA 1.205 52.950 52.037 -0.487 0.000 0.728 319 A CB -0.306 18.219 19.000 -0.792 0.000 0.814 319 A HN 0.529 nan 8.150 nan 0.000 0.464 320 F N -0.575 119.481 119.950 0.177 0.000 2.706 320 F HA 0.190 4.720 4.527 0.005 0.000 0.308 320 F C 1.842 177.839 175.800 0.329 0.000 1.095 320 F CA -0.659 57.537 58.000 0.328 0.000 1.244 320 F CB -0.324 38.849 39.000 0.289 0.000 1.063 320 F HN 0.149 nan 8.300 nan 0.000 0.582 321 N N 0.819 119.710 118.700 0.319 0.000 2.069 321 N HA -0.179 4.564 4.740 0.005 0.000 0.191 321 N C 1.951 177.567 175.510 0.176 0.000 1.031 321 N CA 1.350 54.541 53.050 0.235 0.000 0.852 321 N CB -0.317 38.240 38.487 0.116 0.000 1.018 321 N HN 0.215 nan 8.380 nan 0.000 0.423 322 L N 1.170 122.459 121.223 0.109 0.000 2.017 322 L HA -0.024 4.319 4.340 0.005 0.000 0.208 322 L C 2.214 179.109 176.870 0.042 0.000 1.073 322 L CA 1.839 56.696 54.840 0.030 0.000 0.745 322 L CB -1.054 41.000 42.059 -0.008 0.000 0.894 322 L HN 0.101 nan 8.230 nan 0.000 0.432 323 G N -2.247 106.661 108.800 0.181 0.000 2.453 323 G HA2 -0.176 3.787 3.960 0.005 0.000 0.215 323 G HA3 -0.176 3.787 3.960 0.005 0.000 0.215 323 G C 1.183 176.191 174.900 0.180 0.000 1.147 323 G CA 0.506 45.733 45.100 0.211 0.000 0.802 323 G HN 0.418 nan 8.290 nan 0.000 0.535 324 F N -0.525 119.647 119.950 0.370 0.000 2.717 324 F HA 0.456 4.986 4.527 0.005 0.000 0.295 324 F C 1.967 178.042 175.800 0.457 0.000 1.117 324 F CA 0.016 58.261 58.000 0.407 0.000 1.361 324 F CB 0.459 39.550 39.000 0.150 0.000 1.112 324 F HN 0.049 nan 8.300 nan 0.000 0.594 325 I N -1.985 118.854 120.570 0.448 0.000 3.534 325 I HA -0.062 4.111 4.170 0.005 0.000 0.251 325 I C 2.016 178.183 176.117 0.083 0.000 1.136 325 I CA 0.546 62.055 61.300 0.348 0.000 1.475 325 I CB -0.473 37.705 38.000 0.295 0.000 1.526 325 I HN -0.207 nan 8.210 nan 0.000 0.454 326 T N 2.057 116.615 114.554 0.006 0.000 2.674 326 T HA -0.160 4.193 4.350 0.005 0.000 0.265 326 T C 1.858 176.372 174.700 -0.308 0.000 1.039 326 T CA 1.492 63.526 62.100 -0.109 0.000 1.150 326 T CB -0.309 68.505 68.868 -0.089 0.000 0.864 326 T HN 0.073 nan 8.240 nan 0.000 0.427 327 L N 2.645 123.602 121.223 -0.443 0.000 2.017 327 L HA -0.012 4.331 4.340 0.005 0.000 0.208 327 L C -0.693 175.542 176.870 -1.058 0.000 1.073 327 L CA 1.925 56.222 54.840 -0.906 0.000 0.745 327 L CB -1.272 40.047 42.059 -1.234 0.000 0.894 327 L HN 0.153 nan 8.230 nan 0.000 0.432 328 P HA -0.135 nan 4.420 nan 0.000 0.218 328 P C 1.363 178.186 177.300 -0.794 0.000 1.149 328 P CA 1.852 64.682 63.100 -0.449 0.000 0.817 328 P CB -0.115 31.646 31.700 0.103 0.000 0.785 329 A N 0.226 122.383 122.820 -1.104 0.000 1.902 329 A HA -0.139 4.184 4.320 0.005 0.000 0.217 329 A C 2.372 179.639 177.584 -0.528 0.000 1.181 329 A CA 1.304 52.658 52.037 -1.138 0.000 0.623 329 A CB -1.537 17.140 19.000 -0.539 0.000 0.818 329 A HN 0.101 nan 8.150 nan 0.000 0.443 330 I N -1.341 118.896 120.570 -0.555 0.000 2.179 330 I HA -0.229 3.944 4.170 0.005 0.000 0.242 330 I C 2.193 178.052 176.117 -0.429 0.000 1.088 330 I CA 1.159 62.012 61.300 -0.746 0.000 1.357 330 I CB -0.390 37.035 38.000 -0.958 0.000 1.051 330 I HN 0.248 nan 8.210 nan 0.000 0.409 331 F N 1.303 120.996 119.950 -0.428 0.000 2.202 331 F HA -0.226 4.303 4.527 0.004 0.000 0.301 331 F C 3.018 178.764 175.800 -0.091 0.000 1.082 331 F CA 1.390 59.249 58.000 -0.235 0.000 1.313 331 F CB -1.627 37.271 39.000 -0.171 0.000 1.024 331 F HN 0.209 nan 8.300 nan 0.000 0.495 332 S N -0.557 115.210 115.700 0.112 0.000 2.469 332 S HA -0.178 4.295 4.470 0.005 0.000 0.238 332 S C 1.474 176.159 174.600 0.141 0.000 0.998 332 S CA 0.825 59.132 58.200 0.178 0.000 0.957 332 S CB -0.399 62.965 63.200 0.273 0.000 0.764 332 S HN 0.366 nan 8.310 nan 0.000 0.514 333 Q N 1.795 121.654 119.800 0.099 0.000 2.365 333 Q HA 0.186 4.528 4.340 0.005 0.000 0.203 333 Q C 0.621 176.712 176.000 0.152 0.000 0.929 333 Q CA 0.548 56.439 55.803 0.146 0.000 0.948 333 Q CB 0.181 29.062 28.738 0.238 0.000 1.043 333 Q HN 0.878 nan 8.270 nan 0.000 0.505 334 T N -3.533 111.093 114.554 0.120 0.000 2.924 334 T HA 0.737 5.090 4.350 0.005 0.000 0.291 334 T C -0.227 174.516 174.700 0.072 0.000 1.045 334 T CA -0.850 61.306 62.100 0.092 0.000 1.015 334 T CB 2.104 71.009 68.868 0.061 0.000 1.103 334 T HN 0.071 nan 8.240 nan 0.000 0.496 335 A N 0.604 123.456 122.820 0.053 0.000 2.524 335 A HA 0.548 4.871 4.320 0.005 0.000 0.250 335 A C 1.619 179.236 177.584 0.056 0.000 1.078 335 A CA 0.299 52.365 52.037 0.049 0.000 0.761 335 A CB -1.391 17.628 19.000 0.032 0.000 1.012 335 A HN 2.440 nan 8.150 nan 0.000 0.500 336 G N 1.677 110.524 108.800 0.078 0.000 2.143 336 G HA2 -0.143 3.820 3.960 0.005 0.000 0.248 336 G HA3 -0.143 3.820 3.960 0.005 0.000 0.248 336 G C 1.215 176.216 174.900 0.169 0.000 0.991 336 G CA 0.869 46.040 45.100 0.118 0.000 0.689 336 G HN 1.859 nan 8.290 nan 0.000 0.522 337 G N -0.526 108.358 108.800 0.140 0.000 2.432 337 G HA2 -0.017 3.946 3.960 0.005 0.000 0.219 337 G HA3 -0.017 3.946 3.960 0.005 0.000 0.219 337 G C 1.607 176.692 174.900 0.307 0.000 1.135 337 G CA 2.233 47.430 45.100 0.162 0.000 0.767 337 G HN 0.628 nan 8.290 nan 0.000 0.550 338 T N 0.378 115.134 114.554 0.337 0.000 2.857 338 T HA -0.052 4.300 4.350 0.005 0.000 0.266 338 T C 1.891 176.923 174.700 0.554 0.000 1.048 338 T CA 0.776 63.153 62.100 0.462 0.000 1.139 338 T CB -0.221 68.811 68.868 0.273 0.000 0.874 338 T HN 0.241 nan 8.240 nan 0.000 0.455 339 F N 1.361 121.485 119.950 0.291 0.000 2.259 339 F HA 0.093 4.622 4.527 0.004 0.000 0.298 339 F C 1.852 177.856 175.800 0.339 0.000 1.088 339 F CA 0.379 58.568 58.000 0.316 0.000 1.358 339 F CB -0.337 38.773 39.000 0.183 0.000 1.040 339 F HN 0.009 nan 8.300 nan 0.000 0.505 340 L N 0.330 121.708 121.223 0.258 0.000 2.083 340 L HA 0.030 4.373 4.340 0.005 0.000 0.209 340 L C 2.451 179.385 176.870 0.107 0.000 1.083 340 L CA 2.059 56.896 54.840 -0.004 0.000 0.752 340 L CB -1.460 40.344 42.059 -0.425 0.000 0.899 340 L HN 0.181 nan 8.230 nan 0.000 0.433 341 G N -1.174 107.834 108.800 0.346 0.000 2.402 341 G HA2 -0.344 3.618 3.960 0.005 0.000 0.216 341 G HA3 -0.344 3.618 3.960 0.005 0.000 0.216 341 G C 1.545 176.563 174.900 0.197 0.000 1.162 341 G CA 0.783 46.059 45.100 0.294 0.000 0.777 341 G HN 0.474 nan 8.290 nan 0.000 0.539 342 F N 1.550 121.619 119.950 0.198 0.000 2.095 342 F HA -0.030 4.499 4.527 0.005 0.000 0.298 342 F C 2.356 178.163 175.800 0.012 0.000 1.104 342 F CA 1.276 59.363 58.000 0.145 0.000 1.232 342 F CB -0.454 38.516 39.000 -0.050 0.000 0.987 342 F HN 0.058 nan 8.300 nan 0.000 0.475 343 L N -0.469 120.436 121.223 -0.530 0.000 2.079 343 L HA -0.264 4.078 4.340 0.005 0.000 0.210 343 L C 2.634 179.349 176.870 -0.259 0.000 1.081 343 L CA 1.763 56.267 54.840 -0.559 0.000 0.752 343 L CB -1.112 40.788 42.059 -0.264 0.000 0.896 343 L HN 0.567 nan 8.230 nan 0.000 0.433 344 W N 0.881 121.970 121.300 -0.352 0.000 2.355 344 W HA -0.261 4.403 4.660 0.006 0.000 0.309 344 W C 2.124 178.315 176.519 -0.548 0.000 1.206 344 W CA 1.241 58.317 57.345 -0.448 0.000 1.284 344 W CB -0.311 28.841 29.460 -0.513 0.000 1.145 344 W HN 0.054 nan 8.180 nan 0.000 0.502 345 F N -0.237 119.515 119.950 -0.331 0.000 2.293 345 F HA -0.095 4.435 4.527 0.005 0.000 0.300 345 F C 2.225 177.853 175.800 -0.286 0.000 1.086 345 F CA 1.197 58.947 58.000 -0.416 0.000 1.375 345 F CB -1.532 37.382 39.000 -0.145 0.000 1.045 345 F HN -0.163 nan 8.300 nan 0.000 0.516 346 F N 0.127 119.875 119.950 -0.337 0.000 2.146 346 F HA -0.141 4.389 4.527 0.004 0.000 0.298 346 F C 2.226 177.850 175.800 -0.293 0.000 1.096 346 F CA 0.926 58.717 58.000 -0.349 0.000 1.275 346 F CB -0.422 38.116 39.000 -0.769 0.000 1.008 346 F HN -0.046 nan 8.300 nan 0.000 0.480 347 L N 0.487 121.549 121.223 -0.269 0.000 2.012 347 L HA -0.206 4.136 4.340 0.005 0.000 0.210 347 L C 2.050 178.659 176.870 -0.434 0.000 1.073 347 L CA 1.910 56.538 54.840 -0.353 0.000 0.748 347 L CB -1.046 40.743 42.059 -0.450 0.000 0.891 347 L HN 0.221 nan 8.230 nan 0.000 0.431 348 L N -1.574 119.302 121.223 -0.578 0.000 2.083 348 L HA -0.226 4.117 4.340 0.005 0.000 0.209 348 L C 2.503 179.278 176.870 -0.158 0.000 1.083 348 L CA 1.467 56.026 54.840 -0.468 0.000 0.752 348 L CB -0.768 40.907 42.059 -0.641 0.000 0.899 348 L HN 0.343 nan 8.230 nan 0.000 0.433 349 F N 0.303 120.112 119.950 -0.235 0.000 2.102 349 F HA -0.244 4.286 4.527 0.004 0.000 0.298 349 F C 2.246 178.068 175.800 0.038 0.000 1.105 349 F CA 1.394 59.329 58.000 -0.109 0.000 1.239 349 F CB -0.381 38.521 39.000 -0.162 0.000 0.991 349 F HN -0.109 nan 8.300 nan 0.000 0.474 350 F N 0.597 120.272 119.950 -0.459 0.000 2.186 350 F HA -0.032 4.498 4.527 0.004 0.000 0.299 350 F C 2.572 178.246 175.800 -0.210 0.000 1.090 350 F CA 0.831 58.606 58.000 -0.376 0.000 1.307 350 F CB -1.519 37.326 39.000 -0.257 0.000 1.019 350 F HN 0.082 nan 8.300 nan 0.000 0.489 351 A N -0.096 122.734 122.820 0.017 0.000 1.877 351 A HA -0.050 4.273 4.320 0.005 0.000 0.216 351 A C 2.614 180.238 177.584 0.067 0.000 1.186 351 A CA 1.792 53.874 52.037 0.074 0.000 0.620 351 A CB -1.514 17.566 19.000 0.133 0.000 0.822 351 A HN 0.385 nan 8.150 nan 0.000 0.443 352 G N -0.298 108.507 108.800 0.007 0.000 2.404 352 G HA2 -0.106 3.857 3.960 0.005 0.000 0.215 352 G HA3 -0.106 3.857 3.960 0.005 0.000 0.215 352 G C 1.482 176.402 174.900 0.034 0.000 1.174 352 G CA 1.137 46.288 45.100 0.085 0.000 0.780 352 G HN 0.462 nan 8.290 nan 0.000 0.537 353 L N 1.889 122.971 121.223 -0.235 0.000 2.042 353 L HA -0.087 4.256 4.340 0.005 0.000 0.210 353 L C 3.081 179.868 176.870 -0.138 0.000 1.076 353 L CA 2.883 57.538 54.840 -0.309 0.000 0.749 353 L CB -1.131 40.533 42.059 -0.658 0.000 0.893 353 L HN 0.377 nan 8.230 nan 0.000 0.432 354 T N -4.747 109.782 114.554 -0.042 0.000 2.962 354 T HA -0.070 4.283 4.350 0.005 0.000 0.270 354 T C 1.830 176.526 174.700 -0.007 0.000 1.088 354 T CA 1.355 63.482 62.100 0.045 0.000 1.127 354 T CB -0.452 68.446 68.868 0.049 0.000 0.883 354 T HN 0.333 nan 8.240 nan 0.000 0.493 355 S N 1.523 117.196 115.700 -0.045 0.000 2.441 355 S HA 0.029 4.502 4.470 0.005 0.000 0.224 355 S C 2.452 176.881 174.600 -0.285 0.000 1.043 355 S CA 0.692 58.783 58.200 -0.183 0.000 0.948 355 S CB -0.180 62.906 63.200 -0.189 0.000 0.810 355 S HN 0.817 nan 8.310 nan 0.000 0.504 356 S N 3.149 118.760 115.700 -0.148 0.000 2.383 356 S HA -0.079 4.394 4.470 0.005 0.000 0.227 356 S C 1.987 176.514 174.600 -0.122 0.000 1.026 356 S CA 1.127 59.241 58.200 -0.144 0.000 0.981 356 S CB -0.998 62.227 63.200 0.042 0.000 0.818 356 S HN 0.696 nan 8.310 nan 0.000 0.472 357 I N 0.159 120.676 120.570 -0.088 0.000 2.394 357 I HA 0.070 4.242 4.170 0.005 0.000 0.251 357 I C 2.570 178.699 176.117 0.020 0.000 1.136 357 I CA 1.181 62.455 61.300 -0.042 0.000 1.425 357 I CB -0.844 37.131 38.000 -0.041 0.000 1.079 357 I HN 0.328 nan 8.210 nan 0.000 0.425 358 A N 2.757 125.551 122.820 -0.043 0.000 1.968 358 A HA -0.001 4.322 4.320 0.005 0.000 0.217 358 A C 2.307 179.762 177.584 -0.214 0.000 1.169 358 A CA 1.597 53.526 52.037 -0.180 0.000 0.638 358 A CB -0.780 17.906 19.000 -0.523 0.000 0.812 358 A HN 0.709 nan 8.150 nan 0.000 0.446 359 I N -4.606 115.818 120.570 -0.243 0.000 3.578 359 I HA 0.126 4.299 4.170 0.005 0.000 0.295 359 I C 1.877 177.938 176.117 -0.093 0.000 1.280 359 I CA 0.613 61.786 61.300 -0.211 0.000 1.347 359 I CB -0.132 37.668 38.000 -0.333 0.000 1.051 359 I HN 0.129 nan 8.210 nan 0.000 0.460 360 M N 0.337 119.908 119.600 -0.049 0.000 2.516 360 M HA 0.032 4.515 4.480 0.005 0.000 0.259 360 M C 2.092 178.421 176.300 0.049 0.000 1.146 360 M CA 0.609 55.914 55.300 0.007 0.000 1.122 360 M CB 0.082 32.688 32.600 0.009 0.000 1.341 360 M HN 0.178 nan 8.290 nan 0.000 0.478 361 Q N 1.447 121.291 119.800 0.075 0.000 2.170 361 Q HA -0.088 4.255 4.340 0.005 0.000 0.203 361 Q C -1.070 175.016 176.000 0.142 0.000 0.976 361 Q CA 1.903 57.786 55.803 0.133 0.000 0.858 361 Q CB -1.129 27.766 28.738 0.262 0.000 0.907 361 Q HN 0.229 nan 8.270 nan 0.000 0.433 362 P HA -0.135 nan 4.420 nan 0.000 0.216 362 P C 1.103 178.476 177.300 0.121 0.000 1.153 362 P CA 1.341 64.502 63.100 0.101 0.000 0.848 362 P CB -0.127 31.603 31.700 0.049 0.000 0.787 363 M N -1.099 118.564 119.600 0.104 0.000 2.175 363 M HA -0.085 4.398 4.480 0.005 0.000 0.264 363 M C 1.826 178.241 176.300 0.191 0.000 1.063 363 M CA 1.734 57.120 55.300 0.144 0.000 1.119 363 M CB -1.181 31.494 32.600 0.125 0.000 1.377 363 M HN -0.204 nan 8.290 nan 0.000 0.415 364 I N -0.192 120.464 120.570 0.144 0.000 2.179 364 I HA -0.269 3.904 4.170 0.005 0.000 0.242 364 I C 2.387 178.571 176.117 0.112 0.000 1.088 364 I CA 1.280 62.652 61.300 0.121 0.000 1.357 364 I CB -0.772 37.274 38.000 0.078 0.000 1.051 364 I HN 0.384 nan 8.210 nan 0.000 0.409 365 A N 0.477 123.378 122.820 0.136 0.000 1.933 365 A HA -0.256 4.067 4.320 0.005 0.000 0.218 365 A C 2.235 179.875 177.584 0.093 0.000 1.175 365 A CA 1.468 53.581 52.037 0.127 0.000 0.628 365 A CB -0.953 18.144 19.000 0.161 0.000 0.814 365 A HN 0.478 nan 8.150 nan 0.000 0.444 366 F N 0.675 120.630 119.950 0.008 0.000 2.102 366 F HA -0.123 4.407 4.527 0.005 0.000 0.298 366 F C 1.857 177.640 175.800 -0.028 0.000 1.105 366 F CA 1.736 59.724 58.000 -0.021 0.000 1.239 366 F CB -0.317 38.653 39.000 -0.050 0.000 0.991 366 F HN 0.136 nan 8.300 nan 0.000 0.474 367 L N 0.052 121.246 121.223 -0.048 0.000 2.083 367 L HA -0.193 4.149 4.340 0.005 0.000 0.209 367 L C 2.361 179.126 176.870 -0.175 0.000 1.083 367 L CA 1.698 56.452 54.840 -0.144 0.000 0.752 367 L CB -0.774 41.323 42.059 0.064 0.000 0.899 367 L HN 0.224 nan 8.230 nan 0.000 0.433 368 E N -0.033 120.108 120.200 -0.098 0.000 2.028 368 E HA -0.179 4.174 4.350 0.005 0.000 0.190 368 E C 1.776 178.290 176.600 -0.143 0.000 0.984 368 E CA 1.239 57.584 56.400 -0.092 0.000 0.800 368 E CB -0.031 29.640 29.700 -0.048 0.000 0.758 368 E HN 0.453 nan 8.360 nan 0.000 0.448 369 D N 0.552 120.860 120.400 -0.154 0.000 2.097 369 D HA -0.121 4.522 4.640 0.005 0.000 0.197 369 D C 1.839 178.017 176.300 -0.204 0.000 0.984 369 D CA 1.042 54.945 54.000 -0.162 0.000 0.826 369 D CB -0.036 40.706 40.800 -0.095 0.000 0.973 369 D HN 0.123 nan 8.370 nan 0.000 0.460 370 E N -0.143 119.830 120.200 -0.378 0.000 2.251 370 E HA 0.130 4.483 4.350 0.005 0.000 0.194 370 E C 2.100 178.440 176.600 -0.433 0.000 0.964 370 E CA 0.112 56.248 56.400 -0.441 0.000 0.868 370 E CB 0.246 29.501 29.700 -0.742 0.000 0.828 370 E HN 0.286 nan 8.360 nan 0.000 0.481 371 L N 0.666 121.599 121.223 -0.483 0.000 2.640 371 L HA 0.160 4.502 4.340 0.005 0.000 0.230 371 L C -0.049 176.700 176.870 -0.202 0.000 1.123 371 L CA -0.105 54.542 54.840 -0.322 0.000 0.900 371 L CB 0.188 42.058 42.059 -0.316 0.000 1.146 371 L HN -0.131 nan 8.230 nan 0.000 0.484 372 K N 0.205 120.493 120.400 -0.186 0.000 3.069 372 K HA -0.178 4.145 4.320 0.005 0.000 0.267 372 K C -0.319 176.237 176.600 -0.074 0.000 1.082 372 K CA 0.530 56.744 56.287 -0.121 0.000 0.782 372 K CB -2.161 30.276 32.500 -0.104 0.000 1.230 372 K HN 0.153 nan 8.250 nan 0.000 0.488 373 L N 0.761 121.950 121.223 -0.057 0.000 2.436 373 L HA 0.161 4.503 4.340 0.005 0.000 0.265 373 L C 1.395 178.267 176.870 0.003 0.000 1.168 373 L CA 0.278 55.133 54.840 0.025 0.000 0.815 373 L CB 0.830 42.938 42.059 0.083 0.000 1.109 373 L HN 0.294 nan 8.230 nan 0.000 0.462 374 S N 1.633 117.332 115.700 -0.003 0.000 2.589 374 S HA 0.176 4.649 4.470 0.005 0.000 0.265 374 S C 1.197 175.761 174.600 -0.061 0.000 1.342 374 S CA -0.286 57.857 58.200 -0.095 0.000 1.005 374 S CB 0.546 63.596 63.200 -0.250 0.000 0.909 374 S HN 0.657 nan 8.310 nan 0.000 0.555 375 R N 1.237 121.685 120.500 -0.086 0.000 2.091 375 R HA -0.148 4.195 4.340 0.005 0.000 0.238 375 R C 2.314 178.588 176.300 -0.044 0.000 1.136 375 R CA 1.820 57.880 56.100 -0.067 0.000 0.959 375 R CB -0.418 29.820 30.300 -0.104 0.000 0.856 375 R HN 0.856 nan 8.270 nan 0.000 0.437 376 K N -0.379 119.968 120.400 -0.088 0.000 2.009 376 K HA -0.227 4.095 4.320 0.005 0.000 0.210 376 K C 1.832 178.473 176.600 0.069 0.000 1.049 376 K CA 2.163 58.414 56.287 -0.060 0.000 0.929 376 K CB -0.256 32.164 32.500 -0.133 0.000 0.714 376 K HN 0.508 nan 8.250 nan 0.000 0.440 377 H N -0.850 118.250 119.070 0.050 0.000 2.389 377 H HA -0.051 4.507 4.556 0.005 0.000 0.299 377 H C 2.092 177.563 175.328 0.239 0.000 1.081 377 H CA 0.606 56.742 56.048 0.147 0.000 1.345 377 H CB 0.074 29.957 29.762 0.201 0.000 1.393 377 H HN 0.405 nan 8.280 nan 0.000 0.520 378 A N 0.684 123.670 122.820 0.276 0.000 1.902 378 A HA -0.133 4.189 4.320 0.005 0.000 0.217 378 A C 2.591 180.291 177.584 0.193 0.000 1.181 378 A CA 1.474 53.645 52.037 0.223 0.000 0.623 378 A CB -0.761 18.308 19.000 0.115 0.000 0.818 378 A HN 0.196 nan 8.150 nan 0.000 0.443 379 V N 0.146 120.126 119.914 0.110 0.000 2.307 379 V HA -0.235 3.888 4.120 0.005 0.000 0.245 379 V C 2.570 178.701 176.094 0.063 0.000 1.045 379 V CA 1.882 64.218 62.300 0.060 0.000 1.024 379 V CB -0.761 31.056 31.823 -0.010 0.000 0.651 379 V HN 0.558 nan 8.190 nan 0.000 0.449 380 L N -1.860 119.389 121.223 0.043 0.000 2.046 380 L HA -0.189 4.154 4.340 0.005 0.000 0.208 380 L C 2.417 179.253 176.870 -0.056 0.000 1.077 380 L CA 1.959 56.767 54.840 -0.054 0.000 0.747 380 L CB -0.524 41.451 42.059 -0.139 0.000 0.896 380 L HN 0.384 nan 8.230 nan 0.000 0.432 381 W N 0.036 121.382 121.300 0.077 0.000 2.388 381 W HA -0.153 4.510 4.660 0.004 0.000 0.294 381 W C 2.696 179.286 176.519 0.118 0.000 1.212 381 W CA 1.263 58.663 57.345 0.092 0.000 1.271 381 W CB -0.452 29.067 29.460 0.099 0.000 1.126 381 W HN 0.008 nan 8.180 nan 0.000 0.535 382 T N -0.043 114.710 114.554 0.332 0.000 2.746 382 T HA -0.184 4.169 4.350 0.005 0.000 0.267 382 T C 1.959 176.783 174.700 0.206 0.000 1.039 382 T CA 1.681 63.932 62.100 0.252 0.000 1.142 382 T CB -0.670 68.306 68.868 0.181 0.000 0.866 382 T HN 0.183 nan 8.240 nan 0.000 0.444 383 A N 1.382 124.288 122.820 0.143 0.000 1.933 383 A HA 0.174 4.496 4.320 0.005 0.000 0.218 383 A C 2.628 180.328 177.584 0.194 0.000 1.175 383 A CA 1.781 53.887 52.037 0.115 0.000 0.628 383 A CB -1.049 17.963 19.000 0.021 0.000 0.814 383 A HN 0.499 nan 8.150 nan 0.000 0.444 384 A N 0.098 123.023 122.820 0.176 0.000 1.877 384 A HA -0.101 4.222 4.320 0.005 0.000 0.216 384 A C 2.115 179.922 177.584 0.372 0.000 1.186 384 A CA 1.580 53.759 52.037 0.237 0.000 0.620 384 A CB -0.622 18.431 19.000 0.089 0.000 0.822 384 A HN 0.504 nan 8.150 nan 0.000 0.443 385 I N -0.524 120.256 120.570 0.350 0.000 2.226 385 I HA -0.201 3.972 4.170 0.005 0.000 0.245 385 I C 2.323 178.666 176.117 0.377 0.000 1.100 385 I CA 1.068 62.581 61.300 0.354 0.000 1.374 385 I CB -0.339 37.840 38.000 0.298 0.000 1.057 385 I HN 0.151 nan 8.210 nan 0.000 0.413 386 V N 0.651 120.760 119.914 0.324 0.000 2.307 386 V HA -0.289 3.833 4.120 0.005 0.000 0.245 386 V C 2.288 178.612 176.094 0.383 0.000 1.045 386 V CA 1.874 64.357 62.300 0.304 0.000 1.024 386 V CB -0.703 31.264 31.823 0.240 0.000 0.651 386 V HN 0.358 nan 8.190 nan 0.000 0.449 387 F N 0.656 120.777 119.950 0.284 0.000 2.095 387 F HA -0.244 4.286 4.527 0.005 0.000 0.298 387 F C 2.134 178.228 175.800 0.490 0.000 1.104 387 F CA 1.926 60.142 58.000 0.359 0.000 1.232 387 F CB -0.612 38.522 39.000 0.223 0.000 0.987 387 F HN 0.200 nan 8.300 nan 0.000 0.475 388 F N 0.817 120.898 119.950 0.218 0.000 2.075 388 F HA -0.178 4.352 4.527 0.005 0.000 0.297 388 F C 2.525 178.391 175.800 0.110 0.000 1.113 388 F CA 2.155 60.210 58.000 0.092 0.000 1.218 388 F CB -1.114 37.962 39.000 0.128 0.000 0.984 388 F HN -0.059 nan 8.300 nan 0.000 0.472 389 S N 0.635 116.366 115.700 0.052 0.000 2.383 389 S HA -0.196 4.276 4.470 0.005 0.000 0.229 389 S C 2.245 176.742 174.600 -0.171 0.000 1.030 389 S CA 1.037 59.189 58.200 -0.080 0.000 1.002 389 S CB -0.954 62.434 63.200 0.314 0.000 0.829 389 S HN 0.573 nan 8.310 nan 0.000 0.467 390 A N 0.972 123.740 122.820 -0.087 0.000 2.070 390 A HA -0.154 4.168 4.320 0.005 0.000 0.220 390 A C 1.600 178.898 177.584 -0.476 0.000 1.159 390 A CA 1.487 53.369 52.037 -0.259 0.000 0.656 390 A CB -0.778 18.062 19.000 -0.267 0.000 0.800 390 A HN 0.551 nan 8.150 nan 0.000 0.453 391 H N -1.310 117.499 119.070 -0.436 0.000 2.456 391 H HA -0.068 4.491 4.556 0.005 0.000 0.296 391 H C 1.785 177.007 175.328 -0.177 0.000 1.079 391 H CA 1.408 57.297 56.048 -0.264 0.000 1.322 391 H CB -0.108 29.488 29.762 -0.275 0.000 1.388 391 H HN 0.430 nan 8.280 nan 0.000 0.538 392 L N -0.094 121.004 121.223 -0.209 0.000 2.056 392 L HA -0.097 4.245 4.340 0.005 0.000 0.207 392 L C 1.985 178.787 176.870 -0.114 0.000 1.078 392 L CA 1.171 55.910 54.840 -0.167 0.000 0.749 392 L CB -0.418 41.482 42.059 -0.265 0.000 0.901 392 L HN 0.100 nan 8.230 nan 0.000 0.433 393 V N -0.601 119.213 119.914 -0.166 0.000 2.548 393 V HA -0.237 3.886 4.120 0.005 0.000 0.249 393 V C 2.438 178.386 176.094 -0.243 0.000 1.055 393 V CA 1.798 64.023 62.300 -0.124 0.000 1.065 393 V CB -0.479 31.314 31.823 -0.050 0.000 0.681 393 V HN 0.423 nan 8.190 nan 0.000 0.462 394 M N -1.586 117.677 119.600 -0.562 0.000 2.349 394 M HA 0.020 4.502 4.480 0.005 0.000 0.266 394 M C 1.632 177.491 176.300 -0.735 0.000 1.076 394 M CA 1.876 56.670 55.300 -0.843 0.000 1.126 394 M CB -0.095 31.741 32.600 -1.274 0.000 1.392 394 M HN 0.331 nan 8.290 nan 0.000 0.440 395 F N -0.973 118.861 119.950 -0.193 0.000 2.727 395 F HA 0.263 4.793 4.527 0.005 0.000 0.302 395 F C 0.356 176.095 175.800 -0.103 0.000 1.107 395 F CA -0.394 57.528 58.000 -0.129 0.000 1.277 395 F CB 0.495 39.423 39.000 -0.120 0.000 1.079 395 F HN -0.085 nan 8.300 nan 0.000 0.594 396 L N 1.354 122.599 121.223 0.036 0.000 2.265 396 L HA 0.398 4.741 4.340 0.005 0.000 0.289 396 L C -0.116 176.729 176.870 -0.041 0.000 1.033 396 L CA -0.638 54.197 54.840 -0.007 0.000 0.814 396 L CB 0.250 42.301 42.059 -0.013 0.000 1.203 396 L HN -0.087 nan 8.230 nan 0.000 0.423 397 N N 4.575 123.233 118.700 -0.069 0.000 2.412 397 N HA 0.033 4.775 4.740 0.005 0.000 0.258 397 N C 0.207 175.671 175.510 -0.077 0.000 1.236 397 N CA 0.596 53.594 53.050 -0.086 0.000 0.882 397 N CB 0.352 38.765 38.487 -0.124 0.000 1.066 397 N HN 0.465 nan 8.380 nan 0.000 0.465 398 K N 0.245 120.618 120.400 -0.044 0.000 3.500 398 K HA -0.207 4.116 4.320 0.005 0.000 0.313 398 K C 1.094 177.687 176.600 -0.011 0.000 1.338 398 K CA 1.068 57.338 56.287 -0.029 0.000 0.963 398 K CB -2.153 30.313 32.500 -0.056 0.000 1.267 398 K HN 0.540 nan 8.250 nan 0.000 0.448 399 S N 0.621 116.320 115.700 -0.002 0.000 2.368 399 S HA 0.013 4.486 4.470 0.005 0.000 0.224 399 S C 1.795 176.409 174.600 0.024 0.000 1.029 399 S CA 1.267 59.481 58.200 0.024 0.000 0.988 399 S CB -0.010 63.201 63.200 0.019 0.000 0.838 399 S HN 0.450 nan 8.310 nan 0.000 0.462 400 L N 1.161 122.393 121.223 0.015 0.000 2.042 400 L HA -0.194 4.148 4.340 0.005 0.000 0.210 400 L C 1.749 178.511 176.870 -0.180 0.000 1.076 400 L CA 2.474 57.283 54.840 -0.050 0.000 0.749 400 L CB -0.674 41.425 42.059 0.066 0.000 0.893 400 L HN 0.274 nan 8.230 nan 0.000 0.432 401 D N -0.486 119.872 120.400 -0.071 0.000 2.117 401 D HA -0.236 4.407 4.640 0.005 0.000 0.197 401 D C 2.060 178.338 176.300 -0.036 0.000 0.987 401 D CA 1.290 55.246 54.000 -0.074 0.000 0.829 401 D CB -0.037 40.736 40.800 -0.044 0.000 0.961 401 D HN 0.365 nan 8.370 nan 0.000 0.460 402 E N 0.037 120.252 120.200 0.025 0.000 2.072 402 E HA -0.088 4.265 4.350 0.005 0.000 0.191 402 E C 1.969 178.724 176.600 0.257 0.000 0.985 402 E CA 0.948 57.444 56.400 0.160 0.000 0.801 402 E CB -0.085 29.729 29.700 0.189 0.000 0.750 402 E HN 0.251 nan 8.360 nan 0.000 0.452 403 M N -0.017 119.663 119.600 0.134 0.000 2.132 403 M HA -0.130 4.353 4.480 0.005 0.000 0.263 403 M C 1.926 178.276 176.300 0.084 0.000 1.065 403 M CA 1.870 57.267 55.300 0.161 0.000 1.122 403 M CB -0.346 32.356 32.600 0.171 0.000 1.365 403 M HN 0.083 nan 8.290 nan 0.000 0.411 404 D N 0.174 120.418 120.400 -0.259 0.000 2.178 404 D HA -0.192 4.451 4.640 0.005 0.000 0.201 404 D C 1.650 177.990 176.300 0.066 0.000 0.980 404 D CA 1.108 55.004 54.000 -0.174 0.000 0.842 404 D CB 0.028 40.607 40.800 -0.368 0.000 0.948 404 D HN 0.265 nan 8.370 nan 0.000 0.472 405 F N -0.563 119.314 119.950 -0.122 0.000 2.074 405 F HA 0.004 4.533 4.527 0.004 0.000 0.293 405 F C 1.591 177.226 175.800 -0.275 0.000 1.116 405 F CA 1.340 59.187 58.000 -0.254 0.000 1.212 405 F CB -0.774 37.955 39.000 -0.452 0.000 0.998 405 F HN 0.023 nan 8.300 nan 0.000 0.471 406 W N 0.249 121.467 121.300 -0.136 0.000 2.381 406 W HA -0.033 4.630 4.660 0.005 0.000 0.301 406 W C 2.536 179.029 176.519 -0.043 0.000 1.205 406 W CA 1.673 58.918 57.345 -0.167 0.000 1.285 406 W CB -0.885 28.677 29.460 0.170 0.000 1.133 406 W HN 0.130 nan 8.180 nan 0.000 0.521 407 A N -0.217 122.721 122.820 0.198 0.000 1.881 407 A HA 0.197 4.520 4.320 0.005 0.000 0.210 407 A C 2.154 179.762 177.584 0.040 0.000 1.239 407 A CA 1.272 53.353 52.037 0.073 0.000 0.629 407 A CB -1.354 17.551 19.000 -0.158 0.000 0.906 407 A HN 0.222 nan 8.150 nan 0.000 0.460 408 G N -1.694 107.222 108.800 0.194 0.000 2.744 408 G HA2 0.215 4.177 3.960 0.005 0.000 0.211 408 G HA3 0.215 4.177 3.960 0.005 0.000 0.211 408 G C 1.100 176.126 174.900 0.209 0.000 1.143 408 G CA 1.586 46.895 45.100 0.349 0.000 0.788 408 G HN 0.450 nan 8.290 nan 0.000 0.534 409 T N 0.185 114.700 114.554 -0.065 0.000 3.330 409 T HA 0.179 4.531 4.350 0.005 0.000 0.240 409 T C 2.157 176.527 174.700 -0.549 0.000 0.988 409 T CA -0.069 61.922 62.100 -0.181 0.000 1.253 409 T CB 0.045 68.819 68.868 -0.157 0.000 1.163 409 T HN -0.045 nan 8.240 nan 0.000 0.382 410 I N 2.215 122.243 120.570 -0.903 0.000 2.202 410 I HA 0.009 4.182 4.170 0.005 0.000 0.242 410 I C 2.887 178.719 176.117 -0.474 0.000 1.091 410 I CA 1.646 62.363 61.300 -0.970 0.000 1.368 410 I CB -1.919 35.420 38.000 -1.102 0.000 1.058 410 I HN 0.394 nan 8.210 nan 0.000 0.410 411 G N 1.722 110.369 108.800 -0.256 0.000 2.476 411 G HA2 -0.239 3.723 3.960 0.005 0.000 0.218 411 G HA3 -0.239 3.723 3.960 0.005 0.000 0.218 411 G C 1.829 176.692 174.900 -0.062 0.000 1.164 411 G CA 1.986 47.075 45.100 -0.019 0.000 0.768 411 G HN 0.390 nan 8.290 nan 0.000 0.560 412 V N -1.035 118.727 119.914 -0.253 0.000 2.407 412 V HA -0.117 4.006 4.120 0.005 0.000 0.248 412 V C 2.689 178.509 176.094 -0.457 0.000 1.055 412 V CA 1.826 63.926 62.300 -0.333 0.000 1.049 412 V CB -0.784 30.703 31.823 -0.560 0.000 0.662 412 V HN 0.164 nan 8.190 nan 0.000 0.455 413 V N 0.043 119.559 119.914 -0.664 0.000 2.379 413 V HA -0.147 3.976 4.120 0.005 0.000 0.245 413 V C 2.352 178.288 176.094 -0.264 0.000 1.044 413 V CA 2.385 64.200 62.300 -0.808 0.000 1.036 413 V CB -0.937 30.572 31.823 -0.523 0.000 0.664 413 V HN 0.618 nan 8.190 nan 0.000 0.453 414 F N 0.441 120.225 119.950 -0.277 0.000 2.134 414 F HA -0.215 4.315 4.527 0.004 0.000 0.299 414 F C 2.053 177.818 175.800 -0.058 0.000 1.097 414 F CA 1.690 59.587 58.000 -0.171 0.000 1.264 414 F CB -0.509 38.348 39.000 -0.238 0.000 1.001 414 F HN 0.175 nan 8.300 nan 0.000 0.479 415 F N 1.108 120.854 119.950 -0.339 0.000 2.234 415 F HA 0.095 4.624 4.527 0.004 0.000 0.299 415 F C 2.419 178.140 175.800 -0.132 0.000 1.087 415 F CA 1.350 59.174 58.000 -0.293 0.000 1.340 415 F CB -1.089 37.885 39.000 -0.042 0.000 1.031 415 F HN 0.028 nan 8.300 nan 0.000 0.500 416 G N 0.215 109.030 108.800 0.024 0.000 2.418 416 G HA2 -0.270 3.693 3.960 0.005 0.000 0.217 416 G HA3 -0.270 3.693 3.960 0.005 0.000 0.217 416 G C 1.625 176.486 174.900 -0.064 0.000 1.158 416 G CA 0.946 46.127 45.100 0.135 0.000 0.771 416 G HN 0.397 nan 8.290 nan 0.000 0.545 417 L N 0.959 122.108 121.223 -0.124 0.000 2.093 417 L HA 0.032 4.374 4.340 0.005 0.000 0.208 417 L C 2.841 179.491 176.870 -0.366 0.000 1.085 417 L CA 2.494 57.209 54.840 -0.208 0.000 0.755 417 L CB -0.957 41.005 42.059 -0.162 0.000 0.904 417 L HN 0.169 nan 8.230 nan 0.000 0.435 418 T N 0.277 114.531 114.554 -0.499 0.000 2.708 418 T HA -0.201 4.152 4.350 0.005 0.000 0.266 418 T C 1.588 175.960 174.700 -0.546 0.000 1.037 418 T CA 1.690 63.463 62.100 -0.546 0.000 1.146 418 T CB -0.294 68.181 68.868 -0.654 0.000 0.865 418 T HN 0.698 nan 8.240 nan 0.000 0.435 419 E N 1.239 121.110 120.200 -0.548 0.000 2.153 419 E HA -0.077 4.276 4.350 0.005 0.000 0.194 419 E C 2.315 178.754 176.600 -0.269 0.000 0.988 419 E CA 0.814 56.942 56.400 -0.452 0.000 0.811 419 E CB -0.588 28.933 29.700 -0.299 0.000 0.746 419 E HN 0.416 nan 8.360 nan 0.000 0.466 420 L N 0.791 121.864 121.223 -0.250 0.000 2.056 420 L HA -0.100 4.243 4.340 0.005 0.000 0.207 420 L C 2.473 179.150 176.870 -0.321 0.000 1.078 420 L CA 1.096 55.817 54.840 -0.198 0.000 0.749 420 L CB -0.078 41.824 42.059 -0.262 0.000 0.901 420 L HN 0.152 nan 8.230 nan 0.000 0.433 421 I N -0.166 120.103 120.570 -0.502 0.000 2.179 421 I HA -0.337 3.835 4.170 0.005 0.000 0.242 421 I C 2.381 178.338 176.117 -0.266 0.000 1.088 421 I CA 1.479 62.429 61.300 -0.583 0.000 1.357 421 I CB -0.212 37.488 38.000 -0.500 0.000 1.051 421 I HN 0.245 nan 8.210 nan 0.000 0.409 422 I N -0.257 120.135 120.570 -0.298 0.000 2.226 422 I HA -0.306 3.867 4.170 0.005 0.000 0.245 422 I C 2.442 178.554 176.117 -0.008 0.000 1.100 422 I CA 1.512 62.665 61.300 -0.245 0.000 1.374 422 I CB -0.283 37.425 38.000 -0.487 0.000 1.057 422 I HN 0.178 nan 8.210 nan 0.000 0.413 423 F N 0.466 120.332 119.950 -0.141 0.000 2.179 423 F HA -0.075 4.455 4.527 0.004 0.000 0.292 423 F C 2.006 177.891 175.800 0.143 0.000 1.089 423 F CA 1.316 59.316 58.000 0.001 0.000 1.295 423 F CB -0.300 38.699 39.000 -0.002 0.000 1.041 423 F HN -0.128 nan 8.300 nan 0.000 0.487 424 F N -1.836 118.081 119.950 -0.055 0.000 2.698 424 F HA 0.006 4.536 4.527 0.005 0.000 0.295 424 F C 1.143 177.028 175.800 0.141 0.000 1.124 424 F CA 0.488 58.433 58.000 -0.092 0.000 1.426 424 F CB -0.052 38.887 39.000 -0.102 0.000 1.120 424 F HN -0.020 nan 8.300 nan 0.000 0.583 425 W N -0.740 120.520 121.300 -0.068 0.000 3.227 425 W HA 0.273 4.936 4.660 0.004 0.000 0.246 425 W C 2.103 178.516 176.519 -0.176 0.000 1.007 425 W CA -0.015 57.252 57.345 -0.129 0.000 1.925 425 W CB -1.065 28.328 29.460 -0.111 0.000 1.062 425 W HN -0.221 nan 8.180 nan 0.000 0.649 426 I N -0.382 120.218 120.570 0.049 0.000 2.193 426 I HA -0.261 3.911 4.170 0.005 0.000 0.240 426 I C 2.389 178.490 176.117 -0.027 0.000 1.084 426 I CA 1.464 62.693 61.300 -0.119 0.000 1.365 426 I CB -0.858 36.899 38.000 -0.405 0.000 1.064 426 I HN -0.195 nan 8.210 nan 0.000 0.410 427 F N 1.894 121.765 119.950 -0.132 0.000 2.126 427 F HA 0.057 4.587 4.527 0.004 0.000 0.299 427 F C 1.065 176.748 175.800 -0.196 0.000 1.096 427 F CA 1.276 59.200 58.000 -0.127 0.000 1.255 427 F CB -0.302 38.615 39.000 -0.140 0.000 0.997 427 F HN 0.117 nan 8.300 nan 0.000 0.479 428 G N -1.117 107.510 108.800 -0.288 0.000 3.162 428 G HA2 0.333 4.296 3.960 0.005 0.000 0.599 428 G HA3 0.333 4.296 3.960 0.005 0.000 0.599 428 G C 0.326 174.910 174.900 -0.528 0.000 1.335 428 G CA -0.399 44.454 45.100 -0.411 0.000 1.091 428 G HN 0.603 nan 8.290 nan 0.000 0.570 429 A N 1.699 124.234 122.820 -0.476 0.000 1.892 429 A HA -0.051 4.272 4.320 0.005 0.000 0.218 429 A C 2.031 179.284 177.584 -0.552 0.000 1.188 429 A CA 2.565 54.129 52.037 -0.788 0.000 0.631 429 A CB -0.275 18.489 19.000 -0.394 0.000 0.822 429 A HN 0.685 nan 8.150 nan 0.000 0.447 430 D N -0.468 119.781 120.400 -0.252 0.000 2.149 430 D HA -0.085 4.558 4.640 0.005 0.000 0.201 430 D C 1.905 178.110 176.300 -0.158 0.000 0.972 430 D CA 1.272 55.199 54.000 -0.122 0.000 0.835 430 D CB -0.241 40.484 40.800 -0.125 0.000 0.966 430 D HN 0.531 nan 8.370 nan 0.000 0.476 431 K N 0.982 121.185 120.400 -0.330 0.000 2.057 431 K HA -0.004 4.318 4.320 0.005 0.000 0.206 431 K C 2.213 178.665 176.600 -0.246 0.000 1.050 431 K CA 0.988 57.062 56.287 -0.354 0.000 0.935 431 K CB -0.010 32.022 32.500 -0.781 0.000 0.715 431 K HN -0.013 nan 8.250 nan 0.000 0.439 432 A N 1.591 124.125 122.820 -0.477 0.000 1.877 432 A HA -0.192 4.131 4.320 0.005 0.000 0.216 432 A C 1.941 179.424 177.584 -0.168 0.000 1.186 432 A CA 1.092 52.701 52.037 -0.714 0.000 0.620 432 A CB -0.979 17.100 19.000 -1.535 0.000 0.822 432 A HN 0.606 nan 8.150 nan 0.000 0.443 433 W N 0.920 122.035 121.300 -0.310 0.000 2.338 433 W HA -0.230 4.433 4.660 0.004 0.000 0.304 433 W C 1.932 178.452 176.519 0.003 0.000 1.212 433 W CA 2.300 59.649 57.345 0.007 0.000 1.264 433 W CB -0.136 29.385 29.460 0.103 0.000 1.142 433 W HN 0.538 nan 8.180 nan 0.000 0.512 434 E N 0.962 121.201 120.200 0.065 0.000 2.077 434 E HA -0.301 4.052 4.350 0.005 0.000 0.193 434 E C 1.898 178.486 176.600 -0.020 0.000 0.989 434 E CA 2.137 58.531 56.400 -0.011 0.000 0.800 434 E CB -0.517 29.195 29.700 0.021 0.000 0.746 434 E HN 0.126 nan 8.360 nan 0.000 0.452 435 E N 0.268 120.506 120.200 0.062 0.000 2.077 435 E HA -0.130 4.223 4.350 0.005 0.000 0.193 435 E C 1.956 178.621 176.600 0.109 0.000 0.989 435 E CA 1.559 58.050 56.400 0.151 0.000 0.800 435 E CB -0.337 29.534 29.700 0.285 0.000 0.746 435 E HN 0.475 nan 8.360 nan 0.000 0.452 436 I N 0.746 121.360 120.570 0.073 0.000 2.179 436 I HA -0.267 3.906 4.170 0.005 0.000 0.242 436 I C 1.907 177.885 176.117 -0.232 0.000 1.088 436 I CA 1.182 62.459 61.300 -0.038 0.000 1.357 436 I CB -0.349 37.593 38.000 -0.098 0.000 1.051 436 I HN 0.145 nan 8.210 nan 0.000 0.409 437 N N 0.798 119.278 118.700 -0.367 0.000 2.457 437 N HA -0.068 4.674 4.740 0.005 0.000 0.180 437 N C 0.896 176.286 175.510 -0.200 0.000 1.050 437 N CA 0.161 52.980 53.050 -0.385 0.000 0.906 437 N CB -0.099 38.069 38.487 -0.533 0.000 0.968 437 N HN 0.290 nan 8.380 nan 0.000 0.445 438 R N 0.678 121.112 120.500 -0.110 0.000 2.502 438 R HA 0.051 4.393 4.340 0.005 0.000 0.292 438 R C 0.939 177.220 176.300 -0.031 0.000 0.998 438 R CA 1.032 57.107 56.100 -0.042 0.000 1.056 438 R CB -0.062 30.249 30.300 0.020 0.000 0.939 438 R HN 0.289 nan 8.270 nan 0.000 0.411 439 G N 2.597 111.379 108.800 -0.030 0.000 2.184 439 G HA2 -0.279 3.684 3.960 0.005 0.000 0.264 439 G HA3 -0.279 3.684 3.960 0.005 0.000 0.264 439 G C 0.407 175.282 174.900 -0.042 0.000 0.975 439 G CA 0.084 45.172 45.100 -0.020 0.000 0.642 439 G HN 0.963 nan 8.290 nan 0.000 0.536 440 G N -0.474 108.276 108.800 -0.083 0.000 2.380 440 G HA2 0.458 4.420 3.960 0.005 0.000 0.242 440 G HA3 0.458 4.420 3.960 0.005 0.000 0.242 440 G C 1.184 176.032 174.900 -0.086 0.000 1.298 440 G CA -0.007 45.025 45.100 -0.113 0.000 0.878 440 G HN 0.423 nan 8.290 nan 0.000 0.542 441 I N 1.453 121.978 120.570 -0.075 0.000 2.546 441 I HA 0.041 4.214 4.170 0.005 0.000 0.255 441 I C 1.112 177.194 176.117 -0.058 0.000 1.163 441 I CA 0.999 62.267 61.300 -0.053 0.000 1.457 441 I CB -0.281 37.694 38.000 -0.041 0.000 1.092 441 I HN 0.510 nan 8.210 nan 0.000 0.434 442 I N -3.088 117.431 120.570 -0.085 0.000 3.074 442 I HA 0.467 4.640 4.170 0.005 0.000 0.310 442 I C -0.862 175.162 176.117 -0.154 0.000 1.153 442 I CA -1.044 60.205 61.300 -0.085 0.000 0.993 442 I CB 2.032 39.998 38.000 -0.056 0.000 1.237 442 I HN -0.252 nan 8.210 nan 0.000 0.443 443 K N 1.960 122.272 120.400 -0.146 0.000 2.118 443 K HA 0.597 4.919 4.320 0.005 0.000 0.254 443 K C -0.948 175.481 176.600 -0.285 0.000 0.961 443 K CA -0.929 55.221 56.287 -0.228 0.000 0.876 443 K CB 2.502 34.924 32.500 -0.130 0.000 1.077 443 K HN 0.417 nan 8.250 nan 0.000 0.440 444 V N 3.751 123.358 119.914 -0.512 0.000 2.572 444 V HA 0.053 4.176 4.120 0.005 0.000 0.291 444 V C -2.093 174.014 176.094 0.022 0.000 1.039 444 V CA -1.411 60.555 62.300 -0.557 0.000 1.055 444 V CB 0.367 31.611 31.823 -0.965 0.000 0.969 444 V HN 0.649 nan 8.190 nan 0.000 0.482 445 P HA 0.033 nan 4.420 nan 0.000 0.262 445 P C 0.863 178.431 177.300 0.448 0.000 1.182 445 P CA 0.139 63.426 63.100 0.313 0.000 0.761 445 P CB 0.380 32.290 31.700 0.351 0.000 0.795 446 R N 3.277 123.981 120.500 0.340 0.000 2.133 446 R HA -0.216 4.127 4.340 0.005 0.000 0.247 446 R C 1.780 178.224 176.300 0.241 0.000 1.151 446 R CA 1.552 57.818 56.100 0.277 0.000 0.971 446 R CB -0.612 29.792 30.300 0.174 0.000 0.866 446 R HN 0.390 nan 8.270 nan 0.000 0.447 447 I N 0.383 121.089 120.570 0.226 0.000 2.423 447 I HA -0.265 3.908 4.170 0.005 0.000 0.254 447 I C 1.270 177.492 176.117 0.175 0.000 1.151 447 I CA 1.453 62.869 61.300 0.193 0.000 1.421 447 I CB -0.270 37.734 38.000 0.007 0.000 1.079 447 I HN 0.226 nan 8.210 nan 0.000 0.431 448 Y N -1.498 118.956 120.300 0.258 0.000 2.497 448 Y HA -0.281 4.272 4.550 0.004 0.000 0.292 448 Y C 2.260 178.239 175.900 0.132 0.000 1.137 448 Y CA 1.462 59.711 58.100 0.247 0.000 1.285 448 Y CB -0.428 38.261 38.460 0.382 0.000 0.991 448 Y HN 0.345 nan 8.280 nan 0.000 0.556 449 Y N -0.767 119.452 120.300 -0.136 0.000 2.181 449 Y HA -0.339 4.214 4.550 0.004 0.000 0.288 449 Y C 1.571 177.219 175.900 -0.420 0.000 1.146 449 Y CA 1.606 59.337 58.100 -0.615 0.000 1.164 449 Y CB -0.714 36.871 38.460 -1.458 0.000 0.982 449 Y HN 0.110 nan 8.280 nan 0.000 0.515 450 Y N -1.234 119.093 120.300 0.045 0.000 2.314 450 Y HA -0.137 4.416 4.550 0.005 0.000 0.293 450 Y C 2.489 178.415 175.900 0.042 0.000 1.129 450 Y CA 1.266 59.432 58.100 0.110 0.000 1.201 450 Y CB -0.796 37.798 38.460 0.224 0.000 0.999 450 Y HN -0.025 nan 8.280 nan 0.000 0.541 451 V N 0.002 119.992 119.914 0.127 0.000 2.307 451 V HA -0.343 3.780 4.120 0.005 0.000 0.245 451 V C 2.206 178.276 176.094 -0.039 0.000 1.045 451 V CA 2.054 64.399 62.300 0.074 0.000 1.024 451 V CB -0.615 31.265 31.823 0.094 0.000 0.651 451 V HN 0.414 nan 8.190 nan 0.000 0.449 452 M N -0.627 118.860 119.600 -0.188 0.000 2.117 452 M HA -0.194 4.289 4.480 0.005 0.000 0.262 452 M C 2.448 178.376 176.300 -0.621 0.000 1.065 452 M CA 1.947 56.932 55.300 -0.526 0.000 1.114 452 M CB -0.494 31.484 32.600 -1.036 0.000 1.361 452 M HN 0.166 nan 8.290 nan 0.000 0.408 453 R N -0.623 119.498 120.500 -0.631 0.000 2.090 453 R HA -0.117 4.225 4.340 0.005 0.000 0.228 453 R C 1.300 177.429 176.300 -0.285 0.000 1.110 453 R CA 1.502 57.344 56.100 -0.431 0.000 0.973 453 R CB 0.207 29.971 30.300 -0.893 0.000 0.869 453 R HN 0.349 nan 8.270 nan 0.000 0.440 454 Y N -1.236 119.142 120.300 0.130 0.000 2.678 454 Y HA 0.162 4.714 4.550 0.004 0.000 0.274 454 Y C 1.980 177.967 175.900 0.145 0.000 1.114 454 Y CA -0.376 57.833 58.100 0.181 0.000 1.274 454 Y CB -0.119 38.421 38.460 0.134 0.000 1.438 454 Y HN -0.149 nan 8.280 nan 0.000 0.493 455 I N 0.388 121.104 120.570 0.244 0.000 2.113 455 I HA -0.234 3.939 4.170 0.005 0.000 0.238 455 I C 2.055 178.253 176.117 0.135 0.000 1.070 455 I CA 1.903 63.295 61.300 0.153 0.000 1.332 455 I CB -1.744 36.298 38.000 0.071 0.000 1.044 455 I HN 0.219 nan 8.210 nan 0.000 0.402 456 T N 2.735 117.327 114.554 0.064 0.000 2.635 456 T HA -0.104 4.249 4.350 0.005 0.000 0.267 456 T C -0.291 174.484 174.700 0.125 0.000 1.040 456 T CA 2.095 64.240 62.100 0.074 0.000 1.156 456 T CB -1.584 67.269 68.868 -0.025 0.000 0.863 456 T HN 0.336 nan 8.240 nan 0.000 0.430 457 P HA -0.006 nan 4.420 nan 0.000 0.216 457 P C 1.485 178.855 177.300 0.116 0.000 1.153 457 P CA 1.464 64.553 63.100 -0.018 0.000 0.848 457 P CB -0.175 31.398 31.700 -0.212 0.000 0.787 458 A N -0.521 122.421 122.820 0.203 0.000 1.902 458 A HA -0.176 4.146 4.320 0.005 0.000 0.217 458 A C 2.171 179.874 177.584 0.199 0.000 1.181 458 A CA 1.226 53.386 52.037 0.206 0.000 0.623 458 A CB -1.829 17.300 19.000 0.215 0.000 0.818 458 A HN 0.086 nan 8.150 nan 0.000 0.443 459 F N 0.704 120.693 119.950 0.065 0.000 2.069 459 F HA -0.166 4.363 4.527 0.004 0.000 0.298 459 F C 2.013 177.866 175.800 0.089 0.000 1.113 459 F CA 1.857 59.890 58.000 0.055 0.000 1.214 459 F CB -0.349 38.688 39.000 0.061 0.000 0.978 459 F HN 0.137 nan 8.300 nan 0.000 0.474 460 L N -0.516 120.830 121.223 0.204 0.000 2.093 460 L HA -0.175 4.168 4.340 0.005 0.000 0.208 460 L C 2.749 179.662 176.870 0.072 0.000 1.085 460 L CA 1.064 55.982 54.840 0.130 0.000 0.755 460 L CB -1.310 40.862 42.059 0.188 0.000 0.904 460 L HN 0.226 nan 8.230 nan 0.000 0.435 461 A N 0.020 122.885 122.820 0.076 0.000 1.883 461 A HA -0.160 4.163 4.320 0.005 0.000 0.217 461 A C 2.343 179.967 177.584 0.066 0.000 1.186 461 A CA 1.916 54.001 52.037 0.079 0.000 0.624 461 A CB -0.867 18.192 19.000 0.097 0.000 0.822 461 A HN 0.189 nan 8.150 nan 0.000 0.444 462 V N -0.306 119.623 119.914 0.026 0.000 2.343 462 V HA -0.244 3.878 4.120 0.005 0.000 0.247 462 V C 2.496 178.581 176.094 -0.016 0.000 1.051 462 V CA 1.959 64.255 62.300 -0.007 0.000 1.036 462 V CB -0.879 30.907 31.823 -0.063 0.000 0.654 462 V HN 0.579 nan 8.190 nan 0.000 0.451 463 L N -0.371 120.810 121.223 -0.071 0.000 2.012 463 L HA -0.175 4.167 4.340 0.005 0.000 0.210 463 L C 2.221 179.208 176.870 0.196 0.000 1.073 463 L CA 1.941 56.769 54.840 -0.020 0.000 0.748 463 L CB -0.479 41.543 42.059 -0.061 0.000 0.891 463 L HN 0.205 nan 8.230 nan 0.000 0.431 464 L N -1.928 119.421 121.223 0.211 0.000 2.083 464 L HA -0.197 4.146 4.340 0.005 0.000 0.209 464 L C 2.386 179.401 176.870 0.240 0.000 1.083 464 L CA 0.912 55.909 54.840 0.263 0.000 0.752 464 L CB -0.575 41.582 42.059 0.163 0.000 0.899 464 L HN 0.131 nan 8.230 nan 0.000 0.433 465 V N -0.752 119.261 119.914 0.165 0.000 2.295 465 V HA -0.233 3.890 4.120 0.005 0.000 0.246 465 V C 2.395 178.585 176.094 0.160 0.000 1.049 465 V CA 1.483 63.867 62.300 0.139 0.000 1.024 465 V CB -0.246 31.634 31.823 0.095 0.000 0.648 465 V HN 0.202 nan 8.190 nan 0.000 0.447 466 V N -1.401 118.604 119.914 0.152 0.000 2.490 466 V HA -0.234 3.889 4.120 0.005 0.000 0.250 466 V C 2.130 178.391 176.094 0.278 0.000 1.061 466 V CA 1.699 64.087 62.300 0.147 0.000 1.064 466 V CB -0.647 31.232 31.823 0.093 0.000 0.670 466 V HN 0.681 nan 8.190 nan 0.000 0.461 467 W N 0.863 122.269 121.300 0.176 0.000 2.379 467 W HA -0.107 4.557 4.660 0.006 0.000 0.307 467 W C 2.530 179.170 176.519 0.201 0.000 1.200 467 W CA 1.872 59.363 57.345 0.242 0.000 1.297 467 W CB -0.607 28.925 29.460 0.120 0.000 1.140 467 W HN 0.282 nan 8.180 nan 0.000 0.507 468 A N 0.078 123.134 122.820 0.393 0.000 2.168 468 A HA -0.095 4.228 4.320 0.005 0.000 0.215 468 A C 2.051 179.747 177.584 0.186 0.000 1.152 468 A CA 1.159 53.343 52.037 0.246 0.000 0.716 468 A CB -0.381 18.718 19.000 0.166 0.000 0.794 468 A HN 0.321 nan 8.150 nan 0.000 0.465 469 R N -1.009 119.588 120.500 0.163 0.000 2.121 469 R HA 0.094 4.437 4.340 0.005 0.000 0.206 469 R C 0.637 176.939 176.300 0.003 0.000 1.094 469 R CA 0.739 56.885 56.100 0.077 0.000 1.055 469 R CB 0.069 30.402 30.300 0.054 0.000 0.964 469 R HN 0.287 nan 8.270 nan 0.000 0.473 470 E N -0.468 119.685 120.200 -0.077 0.000 2.499 470 E HA 0.093 4.446 4.350 0.005 0.000 0.199 470 E C -0.059 176.119 176.600 -0.704 0.000 1.016 470 E CA 0.277 56.446 56.400 -0.385 0.000 0.933 470 E CB 0.724 30.095 29.700 -0.548 0.000 1.050 470 E HN 0.353 nan 8.360 nan 0.000 0.462 471 Y N -1.139 119.231 120.300 0.117 0.000 3.032 471 Y HA 0.125 4.678 4.550 0.004 0.000 0.232 471 Y C 1.931 177.913 175.900 0.138 0.000 1.099 471 Y CA -0.266 57.913 58.100 0.132 0.000 1.328 471 Y CB -0.275 38.294 38.460 0.182 0.000 1.432 471 Y HN -0.044 nan 8.280 nan 0.000 0.433 472 I N 0.302 121.094 120.570 0.370 0.000 2.493 472 I HA -0.004 4.169 4.170 0.005 0.000 0.254 472 I C -0.872 175.322 176.117 0.129 0.000 1.160 472 I CA 0.556 61.985 61.300 0.215 0.000 1.445 472 I CB -1.378 36.776 38.000 0.258 0.000 1.086 472 I HN 0.016 nan 8.210 nan 0.000 0.433 473 P HA -0.178 nan 4.420 nan 0.000 0.218 473 P C 1.216 178.558 177.300 0.070 0.000 1.148 473 P CA 1.696 64.854 63.100 0.097 0.000 0.822 473 P CB -0.086 31.660 31.700 0.075 0.000 0.784 474 K N -0.370 120.059 120.400 0.049 0.000 2.155 474 K HA 0.025 4.348 4.320 0.005 0.000 0.203 474 K C 2.231 178.830 176.600 -0.003 0.000 1.052 474 K CA 0.924 57.227 56.287 0.026 0.000 0.948 474 K CB -0.364 32.150 32.500 0.023 0.000 0.728 474 K HN 0.206 nan 8.250 nan 0.000 0.448 475 I N 0.564 121.105 120.570 -0.048 0.000 2.761 475 I HA -0.128 4.045 4.170 0.005 0.000 0.261 475 I C 1.873 177.968 176.117 -0.037 0.000 1.198 475 I CA 0.616 61.828 61.300 -0.146 0.000 1.482 475 I CB -0.014 37.727 38.000 -0.431 0.000 1.100 475 I HN 0.163 nan 8.210 nan 0.000 0.445 476 M N -0.579 119.055 119.600 0.057 0.000 2.510 476 M HA 0.021 4.504 4.480 0.005 0.000 0.256 476 M C 1.768 178.158 176.300 0.149 0.000 1.132 476 M CA 1.107 56.485 55.300 0.130 0.000 1.105 476 M CB -0.372 32.343 32.600 0.192 0.000 1.375 476 M HN 0.235 nan 8.290 nan 0.000 0.477 477 E N -0.143 120.122 120.200 0.109 0.000 2.508 477 E HA 0.012 4.365 4.350 0.005 0.000 0.217 477 E C 0.422 177.077 176.600 0.092 0.000 0.896 477 E CA 0.138 56.607 56.400 0.115 0.000 1.118 477 E CB 0.908 30.667 29.700 0.098 0.000 1.133 477 E HN 0.112 nan 8.360 nan 0.000 0.526 478 E N 1.357 121.595 120.200 0.063 0.000 2.585 478 E HA 0.093 4.446 4.350 0.005 0.000 0.206 478 E C -0.306 176.323 176.600 0.048 0.000 1.007 478 E CA 0.142 56.573 56.400 0.052 0.000 1.028 478 E CB 1.185 30.904 29.700 0.032 0.000 1.087 478 E HN 0.210 nan 8.360 nan 0.000 0.455 479 T N -2.812 111.779 114.554 0.061 0.000 2.942 479 T HA 0.285 4.637 4.350 0.005 0.000 0.289 479 T C 0.184 174.957 174.700 0.123 0.000 1.044 479 T CA -0.758 61.378 62.100 0.059 0.000 1.023 479 T CB 2.136 71.004 68.868 0.001 0.000 1.123 479 T HN 0.087 nan 8.240 nan 0.000 0.512 480 H N 1.532 120.611 119.070 0.015 0.000 2.790 480 H HA -0.011 4.548 4.556 0.005 0.000 0.358 480 H C 1.185 176.552 175.328 0.064 0.000 1.103 480 H CA 0.123 56.181 56.048 0.017 0.000 1.426 480 H CB 0.561 30.261 29.762 -0.104 0.000 1.424 480 H HN 0.934 nan 8.280 nan 0.000 0.599 481 W N 4.135 125.227 121.300 -0.347 0.000 2.364 481 W HA -0.183 4.480 4.660 0.005 0.000 0.281 481 W C 1.196 177.796 176.519 0.136 0.000 1.219 481 W CA 1.335 58.661 57.345 -0.031 0.000 1.220 481 W CB -1.266 28.121 29.460 -0.121 0.000 1.127 481 W HN 0.566 nan 8.180 nan 0.000 0.556 482 T N 0.380 114.534 114.554 -0.668 0.000 3.025 482 T HA -0.170 4.182 4.350 0.005 0.000 0.270 482 T C 1.914 176.573 174.700 -0.069 0.000 1.126 482 T CA 1.709 63.487 62.100 -0.535 0.000 1.105 482 T CB -1.064 67.469 68.868 -0.558 0.000 0.884 482 T HN 0.221 nan 8.240 nan 0.000 0.522 483 V N -2.681 117.227 119.914 -0.010 0.000 2.594 483 V HA -0.020 4.102 4.120 0.005 0.000 0.253 483 V C 2.138 178.222 176.094 -0.016 0.000 1.069 483 V CA 0.680 62.961 62.300 -0.032 0.000 1.082 483 V CB -1.464 30.290 31.823 -0.114 0.000 0.680 483 V HN 0.623 nan 8.190 nan 0.000 0.469 484 W N 0.209 121.610 121.300 0.169 0.000 2.465 484 W HA 0.184 4.847 4.660 0.005 0.000 0.268 484 W C 2.256 178.915 176.519 0.234 0.000 1.242 484 W CA 0.829 58.294 57.345 0.200 0.000 1.248 484 W CB -0.298 29.283 29.460 0.201 0.000 1.118 484 W HN 0.222 nan 8.180 nan 0.000 0.587 485 I N -0.594 120.205 120.570 0.382 0.000 2.202 485 I HA -0.268 3.905 4.170 0.005 0.000 0.242 485 I C 2.249 178.586 176.117 0.366 0.000 1.091 485 I CA 1.392 62.900 61.300 0.346 0.000 1.368 485 I CB -0.931 37.193 38.000 0.207 0.000 1.058 485 I HN -0.161 nan 8.210 nan 0.000 0.410 486 T N 0.459 115.167 114.554 0.258 0.000 2.777 486 T HA -0.108 4.245 4.350 0.005 0.000 0.266 486 T C 2.030 176.905 174.700 0.291 0.000 1.040 486 T CA 1.124 63.381 62.100 0.261 0.000 1.141 486 T CB -0.197 68.782 68.868 0.186 0.000 0.868 486 T HN 0.267 nan 8.240 nan 0.000 0.444 487 R N 0.160 120.791 120.500 0.218 0.000 2.083 487 R HA -0.059 4.284 4.340 0.005 0.000 0.237 487 R C 2.209 178.660 176.300 0.252 0.000 1.137 487 R CA 1.541 57.713 56.100 0.119 0.000 0.951 487 R CB -0.606 29.650 30.300 -0.073 0.000 0.851 487 R HN 0.355 nan 8.270 nan 0.000 0.434 488 F N 0.563 120.663 119.950 0.249 0.000 2.095 488 F HA -0.293 4.237 4.527 0.004 0.000 0.298 488 F C 2.203 178.138 175.800 0.224 0.000 1.104 488 F CA 1.463 59.605 58.000 0.237 0.000 1.232 488 F CB -0.609 38.549 39.000 0.263 0.000 0.987 488 F HN -0.018 nan 8.300 nan 0.000 0.475 489 Y N 1.528 121.910 120.300 0.136 0.000 2.145 489 Y HA -0.206 4.346 4.550 0.004 0.000 0.286 489 Y C 2.328 178.263 175.900 0.059 0.000 1.145 489 Y CA 2.323 60.434 58.100 0.018 0.000 1.148 489 Y CB -0.737 37.809 38.460 0.143 0.000 0.981 489 Y HN 0.288 nan 8.280 nan 0.000 0.507 490 I N -2.272 118.385 120.570 0.145 0.000 2.676 490 I HA -0.146 4.027 4.170 0.005 0.000 0.259 490 I C 1.962 178.263 176.117 0.308 0.000 1.194 490 I CA 1.351 62.797 61.300 0.244 0.000 1.473 490 I CB -0.613 37.637 38.000 0.416 0.000 1.096 490 I HN 0.166 nan 8.210 nan 0.000 0.443 491 I N 2.250 122.860 120.570 0.067 0.000 2.353 491 I HA -0.106 4.067 4.170 0.005 0.000 0.248 491 I C 2.770 178.837 176.117 -0.083 0.000 1.119 491 I CA 1.412 62.679 61.300 -0.055 0.000 1.417 491 I CB -0.704 37.238 38.000 -0.096 0.000 1.078 491 I HN 0.360 nan 8.210 nan 0.000 0.421 492 G N 1.080 109.736 108.800 -0.239 0.000 2.418 492 G HA2 -0.193 3.770 3.960 0.005 0.000 0.217 492 G HA3 -0.193 3.770 3.960 0.005 0.000 0.217 492 G C 1.708 176.532 174.900 -0.126 0.000 1.158 492 G CA 0.434 45.364 45.100 -0.282 0.000 0.771 492 G HN 0.256 nan 8.290 nan 0.000 0.545 493 L N -0.887 120.263 121.223 -0.121 0.000 2.083 493 L HA -0.007 4.336 4.340 0.005 0.000 0.209 493 L C 2.543 179.567 176.870 0.257 0.000 1.083 493 L CA 0.891 55.783 54.840 0.088 0.000 0.752 493 L CB -0.359 41.762 42.059 0.104 0.000 0.899 493 L HN 0.254 nan 8.230 nan 0.000 0.433 494 F N 0.453 120.431 119.950 0.046 0.000 2.146 494 F HA -0.195 4.334 4.527 0.005 0.000 0.298 494 F C 2.193 177.871 175.800 -0.203 0.000 1.096 494 F CA 1.387 59.227 58.000 -0.265 0.000 1.275 494 F CB -0.005 38.534 39.000 -0.767 0.000 1.008 494 F HN -0.117 nan 8.300 nan 0.000 0.480 495 L N -1.046 120.204 121.223 0.044 0.000 2.093 495 L HA -0.195 4.148 4.340 0.005 0.000 0.208 495 L C 2.374 179.245 176.870 0.002 0.000 1.085 495 L CA 1.170 56.013 54.840 0.004 0.000 0.755 495 L CB -0.921 41.139 42.059 0.001 0.000 0.904 495 L HN 0.238 nan 8.230 nan 0.000 0.435 496 F N 1.008 120.900 119.950 -0.098 0.000 2.102 496 F HA -0.204 4.326 4.527 0.004 0.000 0.298 496 F C 2.131 177.898 175.800 -0.054 0.000 1.105 496 F CA 1.530 59.506 58.000 -0.040 0.000 1.239 496 F CB -0.338 38.632 39.000 -0.050 0.000 0.991 496 F HN -0.137 nan 8.300 nan 0.000 0.474 497 L N -0.336 120.644 121.223 -0.405 0.000 2.083 497 L HA -0.204 4.139 4.340 0.005 0.000 0.209 497 L C 2.344 178.866 176.870 -0.581 0.000 1.083 497 L CA 1.702 56.157 54.840 -0.642 0.000 0.752 497 L CB -1.194 40.544 42.059 -0.536 0.000 0.899 497 L HN 0.163 nan 8.230 nan 0.000 0.433 498 T N -0.295 113.958 114.554 -0.502 0.000 2.746 498 T HA -0.206 4.147 4.350 0.005 0.000 0.267 498 T C 1.613 176.230 174.700 -0.138 0.000 1.039 498 T CA 1.292 63.177 62.100 -0.359 0.000 1.142 498 T CB -0.331 68.368 68.868 -0.282 0.000 0.866 498 T HN 0.201 nan 8.240 nan 0.000 0.444 499 F N 1.825 121.629 119.950 -0.243 0.000 2.134 499 F HA 0.024 4.554 4.527 0.004 0.000 0.299 499 F C 1.868 177.618 175.800 -0.082 0.000 1.097 499 F CA 0.855 58.775 58.000 -0.133 0.000 1.264 499 F CB -0.557 38.366 39.000 -0.128 0.000 1.001 499 F HN 0.067 nan 8.300 nan 0.000 0.479 500 L N -0.937 120.077 121.223 -0.349 0.000 2.093 500 L HA -0.197 4.146 4.340 0.005 0.000 0.208 500 L C 2.350 179.162 176.870 -0.096 0.000 1.085 500 L CA 0.888 55.533 54.840 -0.324 0.000 0.755 500 L CB -0.875 40.974 42.059 -0.351 0.000 0.904 500 L HN -0.002 nan 8.230 nan 0.000 0.435 501 V N -0.410 119.425 119.914 -0.132 0.000 2.427 501 V HA -0.293 3.830 4.120 0.005 0.000 0.248 501 V C 2.219 178.268 176.094 -0.074 0.000 1.051 501 V CA 1.699 63.979 62.300 -0.034 0.000 1.048 501 V CB -0.550 31.174 31.823 -0.166 0.000 0.666 501 V HN 0.353 nan 8.190 nan 0.000 0.456 502 F N 0.489 120.298 119.950 -0.235 0.000 2.102 502 F HA -0.164 4.365 4.527 0.005 0.000 0.298 502 F C 2.024 177.656 175.800 -0.280 0.000 1.105 502 F CA 1.712 59.576 58.000 -0.227 0.000 1.239 502 F CB -0.208 38.676 39.000 -0.193 0.000 0.991 502 F HN 0.027 nan 8.300 nan 0.000 0.474 503 L N -0.026 120.976 121.223 -0.368 0.000 2.083 503 L HA -0.174 4.169 4.340 0.005 0.000 0.209 503 L C 2.812 179.473 176.870 -0.349 0.000 1.083 503 L CA 1.056 55.636 54.840 -0.434 0.000 0.752 503 L CB -1.237 40.553 42.059 -0.448 0.000 0.899 503 L HN 0.283 nan 8.230 nan 0.000 0.433 504 A N 0.956 123.621 122.820 -0.258 0.000 1.902 504 A HA -0.223 4.099 4.320 0.005 0.000 0.217 504 A C 2.174 179.617 177.584 -0.235 0.000 1.181 504 A CA 1.765 53.667 52.037 -0.226 0.000 0.623 504 A CB -0.471 18.431 19.000 -0.162 0.000 0.818 504 A HN 0.637 nan 8.150 nan 0.000 0.443 505 E N -1.080 118.952 120.200 -0.280 0.000 2.208 505 E HA -0.148 4.205 4.350 0.005 0.000 0.193 505 E C 1.888 178.306 176.600 -0.303 0.000 0.988 505 E CA 0.596 56.825 56.400 -0.286 0.000 0.828 505 E CB -0.218 29.292 29.700 -0.317 0.000 0.763 505 E HN 0.308 nan 8.360 nan 0.000 0.478 506 R N 1.020 121.272 120.500 -0.413 0.000 2.090 506 R HA 0.025 4.368 4.340 0.005 0.000 0.228 506 R C 2.321 178.505 176.300 -0.194 0.000 1.110 506 R CA 1.053 56.943 56.100 -0.350 0.000 0.973 506 R CB -0.639 29.374 30.300 -0.480 0.000 0.869 506 R HN 0.269 nan 8.270 nan 0.000 0.440 507 R N 1.005 121.386 120.500 -0.199 0.000 2.075 507 R HA -0.060 4.283 4.340 0.005 0.000 0.232 507 R C 2.265 178.523 176.300 -0.070 0.000 1.126 507 R CA 1.289 57.309 56.100 -0.135 0.000 0.963 507 R CB -0.140 30.062 30.300 -0.164 0.000 0.858 507 R HN 0.058 nan 8.270 nan 0.000 0.435 508 R N 0.568 121.010 120.500 -0.096 0.000 2.081 508 R HA -0.120 4.223 4.340 0.005 0.000 0.235 508 R C 1.659 177.937 176.300 -0.036 0.000 1.131 508 R CA 2.114 58.178 56.100 -0.059 0.000 0.960 508 R CB -0.352 29.904 30.300 -0.073 0.000 0.856 508 R HN 0.440 nan 8.270 nan 0.000 0.436 509 N N -0.563 118.103 118.700 -0.056 0.000 2.084 509 N HA -0.230 4.513 4.740 0.005 0.000 0.190 509 N C 1.951 177.453 175.510 -0.012 0.000 1.030 509 N CA 1.125 54.150 53.050 -0.042 0.000 0.849 509 N CB -0.322 38.124 38.487 -0.068 0.000 1.012 509 N HN 0.320 nan 8.380 nan 0.000 0.423 510 H N 1.462 120.483 119.070 -0.081 0.000 2.423 510 H HA -0.058 4.500 4.556 0.005 0.000 0.297 510 H C 1.832 177.129 175.328 -0.052 0.000 1.075 510 H CA 1.303 57.312 56.048 -0.064 0.000 1.342 510 H CB 0.195 29.915 29.762 -0.070 0.000 1.395 510 H HN 0.356 nan 8.280 nan 0.000 0.530 511 E N -0.044 120.230 120.200 0.124 0.000 2.072 511 E HA -0.090 4.263 4.350 0.005 0.000 0.190 511 E C 2.195 178.791 176.600 -0.007 0.000 0.982 511 E CA 0.963 57.407 56.400 0.074 0.000 0.803 511 E CB 0.240 29.962 29.700 0.036 0.000 0.755 511 E HN 0.316 nan 8.360 nan 0.000 0.453 512 S N 0.466 116.153 115.700 -0.020 0.000 2.383 512 S HA -0.096 4.376 4.470 0.005 0.000 0.227 512 S C 2.003 176.570 174.600 -0.054 0.000 1.026 512 S CA 0.860 59.043 58.200 -0.028 0.000 0.981 512 S CB -0.108 63.080 63.200 -0.019 0.000 0.818 512 S HN 0.456 nan 8.310 nan 0.000 0.472 513 A N 1.183 123.947 122.820 -0.093 0.000 2.015 513 A HA 0.126 4.449 4.320 0.005 0.000 0.219 513 A C 2.084 179.586 177.584 -0.136 0.000 1.163 513 A CA 1.461 53.424 52.037 -0.125 0.000 0.646 513 A CB -0.863 18.027 19.000 -0.184 0.000 0.806 513 A HN 0.513 nan 8.150 nan 0.000 0.448 514 G N -0.968 107.742 108.800 -0.149 0.000 3.141 514 G HA2 0.337 4.300 3.960 0.005 0.000 0.218 514 G HA3 0.337 4.300 3.960 0.005 0.000 0.218 514 G C 0.664 175.532 174.900 -0.054 0.000 1.170 514 G CA 0.999 46.034 45.100 -0.109 0.000 0.769 514 G HN 0.693 nan 8.290 nan 0.000 0.546 515 T N 0.000 114.527 114.554 -0.046 0.000 3.816 515 T HA 0.000 4.353 4.350 0.005 0.000 0.228 515 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 515 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658