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 3f48_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 0.000 176.080 176.300 -0.367 0.000 0.893 5 R CA 0.000 55.980 56.100 -0.199 0.000 0.921 5 R CB 0.000 30.158 30.300 -0.237 0.000 0.687 6 E N 1.765 121.770 120.200 -0.325 0.000 2.408 6 E HA 0.109 4.462 4.350 0.006 0.000 0.259 6 E C -0.743 175.491 176.600 -0.610 0.000 1.110 6 E CA 0.329 56.487 56.400 -0.402 0.000 0.929 6 E CB 0.570 29.956 29.700 -0.523 0.000 0.971 6 E HN 0.414 nan 8.360 nan 0.000 0.438 7 H N -0.754 118.185 119.070 -0.219 0.000 3.012 7 H HA 0.210 4.770 4.556 0.006 0.000 0.367 7 H C -1.207 173.973 175.328 -0.247 0.000 1.211 7 H CA -0.799 55.148 56.048 -0.170 0.000 1.139 7 H CB 0.714 30.464 29.762 -0.020 0.000 1.838 7 H HN 0.424 nan 8.280 nan 0.000 0.550 8 W N 1.322 122.691 121.300 0.114 0.000 2.210 8 W HA 0.317 4.981 4.660 0.006 0.000 0.330 8 W C 1.141 177.684 176.519 0.040 0.000 1.334 8 W CA 0.112 57.471 57.345 0.023 0.000 1.227 8 W CB 0.504 29.981 29.460 0.028 0.000 1.178 8 W HN 0.805 nan 8.180 nan 0.000 0.560 9 A N 2.255 125.208 122.820 0.222 0.000 1.854 9 A HA -0.017 4.307 4.320 0.006 0.000 0.214 9 A C 1.104 178.766 177.584 0.130 0.000 1.192 9 A CA 1.776 53.892 52.037 0.131 0.000 0.611 9 A CB -0.864 18.185 19.000 0.082 0.000 0.832 9 A HN 0.566 nan 8.150 nan 0.000 0.442 10 T N -4.788 109.850 114.554 0.141 0.000 2.930 10 T HA 0.544 4.898 4.350 0.006 0.000 0.290 10 T C 0.449 175.203 174.700 0.090 0.000 1.052 10 T CA -0.226 61.931 62.100 0.096 0.000 1.017 10 T CB 1.939 70.844 68.868 0.062 0.000 1.137 10 T HN 0.224 nan 8.240 nan 0.000 0.511 11 R N 0.119 120.655 120.500 0.060 0.000 2.081 11 R HA 0.024 4.367 4.340 0.006 0.000 0.235 11 R C 2.103 178.409 176.300 0.009 0.000 1.131 11 R CA 1.599 57.724 56.100 0.042 0.000 0.960 11 R CB -1.146 29.173 30.300 0.033 0.000 0.856 11 R HN 0.608 nan 8.270 nan 0.000 0.436 12 L N 0.230 121.457 121.223 0.007 0.000 2.017 12 L HA 0.088 4.431 4.340 0.006 0.000 0.208 12 L C 2.134 178.987 176.870 -0.028 0.000 1.073 12 L CA 2.434 57.267 54.840 -0.012 0.000 0.745 12 L CB -1.216 40.839 42.059 -0.006 0.000 0.894 12 L HN 0.320 nan 8.230 nan 0.000 0.432 13 G N -0.229 108.569 108.800 -0.005 0.000 2.446 13 G HA2 -0.310 3.654 3.960 0.006 0.000 0.217 13 G HA3 -0.310 3.654 3.960 0.006 0.000 0.217 13 G C 1.586 176.404 174.900 -0.136 0.000 1.168 13 G CA 1.052 46.148 45.100 -0.006 0.000 0.771 13 G HN 0.455 nan 8.290 nan 0.000 0.551 14 L N 0.811 121.915 121.223 -0.199 0.000 2.012 14 L HA -0.052 4.291 4.340 0.006 0.000 0.210 14 L C 2.537 179.178 176.870 -0.381 0.000 1.073 14 L CA 1.521 56.014 54.840 -0.579 0.000 0.748 14 L CB -0.426 41.419 42.059 -0.356 0.000 0.891 14 L HN 0.128 nan 8.230 nan 0.000 0.431 15 I N -0.432 120.058 120.570 -0.133 0.000 2.226 15 I HA -0.275 3.898 4.170 0.006 0.000 0.245 15 I C 2.581 178.661 176.117 -0.062 0.000 1.100 15 I CA 1.417 62.694 61.300 -0.039 0.000 1.374 15 I CB -1.184 36.804 38.000 -0.019 0.000 1.057 15 I HN 0.348 nan 8.210 nan 0.000 0.413 16 L N 0.338 121.509 121.223 -0.086 0.000 2.156 16 L HA -0.091 4.252 4.340 0.006 0.000 0.208 16 L C 2.752 179.582 176.870 -0.067 0.000 1.095 16 L CA 0.973 55.773 54.840 -0.067 0.000 0.770 16 L CB -0.619 41.404 42.059 -0.060 0.000 0.914 16 L HN 0.158 nan 8.230 nan 0.000 0.439 17 A N -0.230 122.509 122.820 -0.134 0.000 1.897 17 A HA -0.164 4.159 4.320 0.006 0.000 0.215 17 A C 2.323 179.935 177.584 0.046 0.000 1.181 17 A CA 1.185 53.177 52.037 -0.075 0.000 0.620 17 A CB -0.302 18.484 19.000 -0.357 0.000 0.821 17 A HN 0.213 nan 8.150 nan 0.000 0.443 18 M N -0.341 119.220 119.600 -0.066 0.000 2.159 18 M HA -0.112 4.372 4.480 0.006 0.000 0.263 18 M C 2.490 178.790 176.300 0.000 0.000 1.063 18 M CA 1.537 56.839 55.300 0.003 0.000 1.110 18 M CB -1.266 31.365 32.600 0.052 0.000 1.374 18 M HN 0.503 nan 8.290 nan 0.000 0.411 19 A N 0.062 122.883 122.820 0.001 0.000 1.933 19 A HA -0.006 4.317 4.320 0.006 0.000 0.218 19 A C 2.376 179.954 177.584 -0.010 0.000 1.175 19 A CA 1.882 53.916 52.037 -0.005 0.000 0.628 19 A CB -1.304 17.688 19.000 -0.013 0.000 0.814 19 A HN 0.520 nan 8.150 nan 0.000 0.444 20 G N -0.108 108.692 108.800 -0.000 0.000 2.421 20 G HA2 -0.251 3.712 3.960 0.006 0.000 0.217 20 G HA3 -0.251 3.712 3.960 0.006 0.000 0.217 20 G C 1.522 176.408 174.900 -0.023 0.000 1.143 20 G CA 1.039 46.145 45.100 0.009 0.000 0.784 20 G HN 0.545 nan 8.290 nan 0.000 0.541 21 N N 1.638 120.298 118.700 -0.066 0.000 2.058 21 N HA -0.092 4.651 4.740 0.006 0.000 0.191 21 N C 2.428 177.793 175.510 -0.241 0.000 1.037 21 N CA 1.754 54.665 53.050 -0.232 0.000 0.848 21 N CB -0.410 37.832 38.487 -0.408 0.000 1.021 21 N HN 0.236 nan 8.380 nan 0.000 0.422 22 A N 0.963 123.681 122.820 -0.170 0.000 1.855 22 A HA 0.097 4.420 4.320 0.006 0.000 0.213 22 A C 1.007 178.543 177.584 -0.081 0.000 1.195 22 A CA 0.500 52.444 52.037 -0.154 0.000 0.610 22 A CB -0.644 18.297 19.000 -0.099 0.000 0.837 22 A HN 0.085 nan 8.150 nan 0.000 0.444 23 V N 0.988 120.886 119.914 -0.026 0.000 2.403 23 V HA 0.483 4.607 4.120 0.006 0.000 0.265 23 V C 0.821 176.978 176.094 0.106 0.000 1.034 23 V CA 0.448 62.768 62.300 0.033 0.000 1.036 23 V CB -0.361 31.506 31.823 0.074 0.000 1.032 23 V HN 0.631 nan 8.190 nan 0.000 0.478 24 G N 2.935 111.824 108.800 0.148 0.000 2.871 24 G HA2 0.429 4.392 3.960 0.006 0.000 0.282 24 G HA3 0.429 4.392 3.960 0.006 0.000 0.282 24 G C 0.332 175.433 174.900 0.334 0.000 1.212 24 G CA -0.807 44.450 45.100 0.262 0.000 0.812 24 G HN 0.436 nan 8.290 nan 0.000 0.547 25 L N 0.949 122.388 121.223 0.360 0.000 2.187 25 L HA -0.003 4.340 4.340 0.006 0.000 0.213 25 L C 2.955 180.021 176.870 0.327 0.000 1.100 25 L CA 1.362 56.364 54.840 0.270 0.000 0.765 25 L CB -0.536 41.558 42.059 0.058 0.000 0.904 25 L HN 0.636 nan 8.230 nan 0.000 0.437 26 G N 0.160 109.243 108.800 0.471 0.000 2.432 26 G HA2 -0.257 3.706 3.960 0.006 0.000 0.219 26 G HA3 -0.257 3.706 3.960 0.006 0.000 0.219 26 G C 1.311 176.354 174.900 0.238 0.000 1.135 26 G CA 0.933 46.312 45.100 0.464 0.000 0.767 26 G HN 0.399 nan 8.290 nan 0.000 0.550 27 N N 0.062 118.803 118.700 0.070 0.000 2.171 27 N HA 0.026 4.769 4.740 0.006 0.000 0.184 27 N C 1.508 176.821 175.510 -0.327 0.000 1.021 27 N CA 0.966 53.863 53.050 -0.254 0.000 0.854 27 N CB -0.250 37.853 38.487 -0.641 0.000 0.994 27 N HN 0.374 nan 8.380 nan 0.000 0.426 28 F N -0.549 119.495 119.950 0.156 0.000 2.656 28 F HA 0.346 4.876 4.527 0.005 0.000 0.291 28 F C 1.612 177.537 175.800 0.208 0.000 1.122 28 F CA 0.208 58.316 58.000 0.180 0.000 1.427 28 F CB 0.153 39.173 39.000 0.034 0.000 1.125 28 F HN -0.059 nan 8.300 nan 0.000 0.583 29 L N -1.341 120.049 121.223 0.279 0.000 2.515 29 L HA 0.191 4.535 4.340 0.006 0.000 0.202 29 L C 2.428 179.360 176.870 0.103 0.000 1.056 29 L CA 0.283 55.248 54.840 0.209 0.000 0.847 29 L CB -0.266 41.917 42.059 0.207 0.000 1.131 29 L HN -0.140 nan 8.230 nan 0.000 0.484 30 R N 0.071 120.622 120.500 0.085 0.000 2.057 30 R HA -0.157 4.186 4.340 0.006 0.000 0.229 30 R C 2.382 178.673 176.300 -0.014 0.000 1.136 30 R CA 1.589 57.681 56.100 -0.014 0.000 0.952 30 R CB -0.294 29.972 30.300 -0.057 0.000 0.848 30 R HN 0.116 nan 8.270 nan 0.000 0.430 31 F N 2.008 121.923 119.950 -0.059 0.000 2.065 31 F HA -0.105 4.425 4.527 0.005 0.000 0.298 31 F C -1.194 174.490 175.800 -0.195 0.000 1.112 31 F CA 1.410 59.339 58.000 -0.119 0.000 1.212 31 F CB -1.036 37.898 39.000 -0.109 0.000 0.975 31 F HN 0.056 nan 8.300 nan 0.000 0.476 32 P HA -0.176 nan 4.420 nan 0.000 0.215 32 P C 2.114 179.197 177.300 -0.363 0.000 1.153 32 P CA 1.993 64.915 63.100 -0.296 0.000 0.853 32 P CB -0.082 31.602 31.700 -0.026 0.000 0.788 33 V N -0.319 119.432 119.914 -0.273 0.000 2.307 33 V HA -0.247 3.876 4.120 0.006 0.000 0.245 33 V C 2.559 178.412 176.094 -0.401 0.000 1.045 33 V CA 1.721 63.860 62.300 -0.269 0.000 1.024 33 V CB -1.155 30.547 31.823 -0.202 0.000 0.651 33 V HN 0.116 nan 8.190 nan 0.000 0.449 34 Q N 0.143 119.636 119.800 -0.512 0.000 2.061 34 Q HA -0.181 4.162 4.340 0.006 0.000 0.204 34 Q C 2.444 177.729 176.000 -1.192 0.000 0.984 34 Q CA 2.169 57.538 55.803 -0.724 0.000 0.846 34 Q CB -0.895 27.449 28.738 -0.657 0.000 0.902 34 Q HN 0.638 nan 8.270 nan 0.000 0.421 35 A N 0.977 122.952 122.820 -1.409 0.000 1.902 35 A HA -0.061 4.263 4.320 0.006 0.000 0.217 35 A C 2.332 179.521 177.584 -0.657 0.000 1.181 35 A CA 1.986 53.231 52.037 -1.320 0.000 0.623 35 A CB -0.674 17.571 19.000 -1.258 0.000 0.818 35 A HN 0.371 nan 8.150 nan 0.000 0.443 36 A N -0.142 122.420 122.820 -0.430 0.000 1.898 36 A HA -0.148 4.175 4.320 0.006 0.000 0.216 36 A C 1.907 179.431 177.584 -0.099 0.000 1.181 36 A CA 1.558 53.536 52.037 -0.097 0.000 0.620 36 A CB -0.511 18.430 19.000 -0.098 0.000 0.819 36 A HN 0.627 nan 8.150 nan 0.000 0.442 37 E N 0.164 120.228 120.200 -0.225 0.000 2.150 37 E HA -0.099 4.254 4.350 0.006 0.000 0.193 37 E C 0.294 176.801 176.600 -0.156 0.000 0.985 37 E CA 0.820 57.114 56.400 -0.177 0.000 0.814 37 E CB -0.135 29.440 29.700 -0.207 0.000 0.752 37 E HN 0.511 nan 8.360 nan 0.000 0.466 38 N N 0.138 118.696 118.700 -0.237 0.000 2.455 38 N HA 0.070 4.813 4.740 0.006 0.000 0.258 38 N C 0.277 175.721 175.510 -0.111 0.000 1.158 38 N CA 0.547 53.507 53.050 -0.150 0.000 0.893 38 N CB 1.251 39.671 38.487 -0.111 0.000 1.173 38 N HN 0.214 nan 8.380 nan 0.000 0.503 39 G N 0.376 109.126 108.800 -0.083 0.000 2.160 39 G HA2 -0.309 3.654 3.960 0.006 0.000 0.251 39 G HA3 -0.309 3.654 3.960 0.006 0.000 0.251 39 G C 1.020 175.687 174.900 -0.389 0.000 1.008 39 G CA 0.601 45.642 45.100 -0.098 0.000 0.724 39 G HN 0.666 nan 8.290 nan 0.000 0.514 40 G N -0.121 108.356 108.800 -0.538 0.000 2.774 40 G HA2 -0.119 3.844 3.960 0.006 0.000 0.342 40 G HA3 -0.119 3.844 3.960 0.006 0.000 0.342 40 G C 2.231 176.759 174.900 -0.620 0.000 1.185 40 G CA 2.228 46.768 45.100 -0.933 0.000 0.956 40 G HN 1.967 nan 8.290 nan 0.000 0.561 41 G N 0.559 108.963 108.800 -0.661 0.000 2.475 41 G HA2 0.164 4.127 3.960 0.006 0.000 0.220 41 G HA3 0.164 4.127 3.960 0.006 0.000 0.220 41 G C 2.045 176.751 174.900 -0.324 0.000 1.125 41 G CA 2.774 47.622 45.100 -0.420 0.000 0.755 41 G HN 1.795 nan 8.290 nan 0.000 0.565 42 A N -0.184 122.462 122.820 -0.291 0.000 2.119 42 A HA 0.210 4.534 4.320 0.006 0.000 0.217 42 A C 2.004 179.476 177.584 -0.188 0.000 1.153 42 A CA 1.198 53.100 52.037 -0.226 0.000 0.692 42 A CB -0.352 18.552 19.000 -0.161 0.000 0.799 42 A HN 0.426 nan 8.150 nan 0.000 0.458 43 F N -0.302 119.443 119.950 -0.341 0.000 2.335 43 F HA 0.005 4.535 4.527 0.004 0.000 0.296 43 F C 2.002 177.644 175.800 -0.264 0.000 1.091 43 F CA 1.076 58.885 58.000 -0.318 0.000 1.399 43 F CB -0.066 38.721 39.000 -0.355 0.000 1.067 43 F HN 0.056 nan 8.300 nan 0.000 0.520 44 M N 0.207 119.649 119.600 -0.262 0.000 2.213 44 M HA -0.179 4.305 4.480 0.006 0.000 0.263 44 M C 2.143 178.334 176.300 -0.181 0.000 1.062 44 M CA 1.066 56.215 55.300 -0.253 0.000 1.105 44 M CB -1.146 31.285 32.600 -0.282 0.000 1.385 44 M HN 0.167 nan 8.290 nan 0.000 0.417 45 I N 0.396 120.834 120.570 -0.221 0.000 2.133 45 I HA -0.165 4.008 4.170 0.006 0.000 0.238 45 I C -0.335 175.637 176.117 -0.241 0.000 1.074 45 I CA 1.550 62.762 61.300 -0.147 0.000 1.342 45 I CB -2.821 35.112 38.000 -0.111 0.000 1.053 45 I HN 0.107 nan 8.210 nan 0.000 0.404 46 P HA -0.199 nan 4.420 nan 0.000 0.218 46 P C 1.875 178.918 177.300 -0.429 0.000 1.148 46 P CA 1.329 63.866 63.100 -0.939 0.000 0.822 46 P CB -0.202 30.578 31.700 -1.533 0.000 0.784 47 Y N 0.235 120.188 120.300 -0.578 0.000 2.145 47 Y HA -0.183 4.371 4.550 0.006 0.000 0.286 47 Y C 2.063 177.888 175.900 -0.125 0.000 1.145 47 Y CA 1.498 59.346 58.100 -0.420 0.000 1.148 47 Y CB -0.859 37.257 38.460 -0.573 0.000 0.981 47 Y HN -0.178 nan 8.280 nan 0.000 0.507 48 I N -0.296 120.276 120.570 0.003 0.000 2.179 48 I HA -0.331 3.842 4.170 0.006 0.000 0.242 48 I C 2.283 178.433 176.117 0.056 0.000 1.088 48 I CA 1.559 62.893 61.300 0.057 0.000 1.357 48 I CB -0.422 37.650 38.000 0.120 0.000 1.051 48 I HN 0.239 nan 8.210 nan 0.000 0.409 49 I N 0.856 121.453 120.570 0.045 0.000 2.226 49 I HA -0.288 3.885 4.170 0.006 0.000 0.245 49 I C 2.815 178.937 176.117 0.008 0.000 1.100 49 I CA 1.356 62.702 61.300 0.076 0.000 1.374 49 I CB -0.501 37.637 38.000 0.231 0.000 1.057 49 I HN 0.188 nan 8.210 nan 0.000 0.413 50 A N 0.645 123.484 122.820 0.031 0.000 1.933 50 A HA -0.262 4.062 4.320 0.006 0.000 0.218 50 A C 2.218 179.758 177.584 -0.072 0.000 1.175 50 A CA 1.441 53.490 52.037 0.021 0.000 0.628 50 A CB -0.916 18.153 19.000 0.116 0.000 0.814 50 A HN 0.459 nan 8.150 nan 0.000 0.444 51 F N 0.632 120.416 119.950 -0.276 0.000 2.134 51 F HA -0.111 4.420 4.527 0.006 0.000 0.299 51 F C 1.841 177.527 175.800 -0.190 0.000 1.097 51 F CA 1.606 59.431 58.000 -0.292 0.000 1.264 51 F CB -0.326 38.469 39.000 -0.341 0.000 1.001 51 F HN 0.142 nan 8.300 nan 0.000 0.479 52 L N -0.500 120.592 121.223 -0.219 0.000 2.072 52 L HA -0.158 4.186 4.340 0.006 0.000 0.205 52 L C 2.224 179.033 176.870 -0.101 0.000 1.079 52 L CA 1.024 55.746 54.840 -0.196 0.000 0.752 52 L CB -0.604 41.439 42.059 -0.027 0.000 0.906 52 L HN 0.166 nan 8.230 nan 0.000 0.436 53 L N -1.715 119.414 121.223 -0.158 0.000 2.529 53 L HA 0.032 4.375 4.340 0.006 0.000 0.223 53 L C 1.646 178.408 176.870 -0.181 0.000 1.113 53 L CA -0.020 54.716 54.840 -0.173 0.000 0.861 53 L CB 0.378 42.209 42.059 -0.379 0.000 1.012 53 L HN 0.046 nan 8.230 nan 0.000 0.461 54 V N -1.498 118.291 119.914 -0.208 0.000 3.161 54 V HA 0.205 4.328 4.120 0.006 0.000 0.221 54 V C 2.285 178.192 176.094 -0.310 0.000 1.296 54 V CA 0.925 63.117 62.300 -0.179 0.000 1.306 54 V CB -0.311 31.481 31.823 -0.051 0.000 1.171 54 V HN 0.281 nan 8.190 nan 0.000 0.513 55 G N 1.374 109.964 108.800 -0.350 0.000 2.545 55 G HA2 -0.230 3.733 3.960 0.006 0.000 0.217 55 G HA3 -0.230 3.733 3.960 0.006 0.000 0.217 55 G C 1.455 176.025 174.900 -0.550 0.000 1.218 55 G CA 1.499 46.363 45.100 -0.393 0.000 0.787 55 G HN 0.294 nan 8.290 nan 0.000 0.571 56 I N 2.533 122.595 120.570 -0.847 0.000 2.099 56 I HA -0.106 4.067 4.170 0.006 0.000 0.239 56 I C 0.435 176.005 176.117 -0.912 0.000 1.066 56 I CA 1.508 62.176 61.300 -1.054 0.000 1.324 56 I CB -2.083 35.187 38.000 -1.215 0.000 1.037 56 I HN 0.196 nan 8.210 nan 0.000 0.401 57 P HA -0.170 nan 4.420 nan 0.000 0.215 57 P C 2.281 179.492 177.300 -0.149 0.000 1.157 57 P CA 1.632 64.574 63.100 -0.264 0.000 0.868 57 P CB -0.096 31.535 31.700 -0.115 0.000 0.788 58 L N -1.867 119.240 121.223 -0.193 0.000 2.131 58 L HA -0.152 4.192 4.340 0.006 0.000 0.210 58 L C 2.884 179.713 176.870 -0.068 0.000 1.092 58 L CA 1.246 56.019 54.840 -0.112 0.000 0.759 58 L CB -0.782 41.181 42.059 -0.160 0.000 0.903 58 L HN -0.015 nan 8.230 nan 0.000 0.435 59 M N -0.580 118.916 119.600 -0.174 0.000 2.080 59 M HA -0.244 4.239 4.480 0.006 0.000 0.260 59 M C 1.983 178.339 176.300 0.094 0.000 1.068 59 M CA 1.995 57.249 55.300 -0.076 0.000 1.109 59 M CB -0.530 31.896 32.600 -0.289 0.000 1.342 59 M HN 0.157 nan 8.290 nan 0.000 0.405 60 W N 0.326 121.573 121.300 -0.089 0.000 2.358 60 W HA -0.124 4.540 4.660 0.006 0.000 0.303 60 W C 2.348 178.901 176.519 0.056 0.000 1.208 60 W CA 1.221 58.514 57.345 -0.087 0.000 1.274 60 W CB -1.217 28.137 29.460 -0.177 0.000 1.138 60 W HN 0.277 nan 8.180 nan 0.000 0.515 61 I N 0.194 120.933 120.570 0.281 0.000 2.208 61 I HA -0.304 3.870 4.170 0.006 0.000 0.245 61 I C 2.267 178.394 176.117 0.017 0.000 1.097 61 I CA 1.541 62.960 61.300 0.199 0.000 1.363 61 I CB -0.495 37.619 38.000 0.189 0.000 1.051 61 I HN -0.019 nan 8.210 nan 0.000 0.413 62 E N -0.266 119.988 120.200 0.089 0.000 2.072 62 E HA -0.229 4.124 4.350 0.006 0.000 0.191 62 E C 2.056 178.719 176.600 0.105 0.000 0.985 62 E CA 1.294 57.726 56.400 0.054 0.000 0.801 62 E CB -0.149 29.595 29.700 0.073 0.000 0.750 62 E HN 0.478 nan 8.360 nan 0.000 0.452 63 W N 1.058 122.365 121.300 0.011 0.000 2.358 63 W HA -0.156 4.507 4.660 0.006 0.000 0.303 63 W C 2.573 179.112 176.519 0.033 0.000 1.208 63 W CA 1.458 58.832 57.345 0.049 0.000 1.274 63 W CB -0.576 28.941 29.460 0.096 0.000 1.138 63 W HN 0.080 nan 8.180 nan 0.000 0.515 64 A N -0.337 122.636 122.820 0.255 0.000 1.877 64 A HA -0.229 4.095 4.320 0.006 0.000 0.216 64 A C 1.961 179.531 177.584 -0.024 0.000 1.186 64 A CA 2.086 54.205 52.037 0.137 0.000 0.620 64 A CB -0.883 18.222 19.000 0.175 0.000 0.822 64 A HN 0.260 nan 8.150 nan 0.000 0.443 65 M N -0.613 118.818 119.600 -0.281 0.000 2.117 65 M HA -0.104 4.379 4.480 0.006 0.000 0.262 65 M C 2.321 178.611 176.300 -0.018 0.000 1.065 65 M CA 1.466 56.585 55.300 -0.301 0.000 1.114 65 M CB -0.647 31.727 32.600 -0.377 0.000 1.361 65 M HN 0.517 nan 8.290 nan 0.000 0.408 66 G N 0.037 108.834 108.800 -0.005 0.000 2.421 66 G HA2 -0.227 3.736 3.960 0.006 0.000 0.216 66 G HA3 -0.227 3.736 3.960 0.006 0.000 0.216 66 G C 1.583 176.503 174.900 0.032 0.000 1.171 66 G CA 0.835 45.934 45.100 -0.002 0.000 0.775 66 G HN 0.385 nan 8.290 nan 0.000 0.543 67 R N -0.957 119.603 120.500 0.099 0.000 2.081 67 R HA -0.147 4.196 4.340 0.006 0.000 0.235 67 R C 2.265 178.644 176.300 0.133 0.000 1.131 67 R CA 1.531 57.709 56.100 0.132 0.000 0.960 67 R CB -0.543 29.875 30.300 0.198 0.000 0.856 67 R HN 0.433 nan 8.270 nan 0.000 0.436 68 Y N 0.266 120.589 120.300 0.039 0.000 2.128 68 Y HA -0.108 4.446 4.550 0.006 0.000 0.284 68 Y C 2.109 178.028 175.900 0.032 0.000 1.154 68 Y CA 2.044 60.170 58.100 0.043 0.000 1.149 68 Y CB -0.706 37.769 38.460 0.025 0.000 0.976 68 Y HN 0.167 nan 8.280 nan 0.000 0.505 69 G N -0.846 108.005 108.800 0.085 0.000 2.402 69 G HA2 -0.186 3.777 3.960 0.006 0.000 0.216 69 G HA3 -0.186 3.777 3.960 0.006 0.000 0.216 69 G C 1.899 176.771 174.900 -0.046 0.000 1.162 69 G CA 0.624 45.736 45.100 0.021 0.000 0.777 69 G HN 0.608 nan 8.290 nan 0.000 0.539 70 G N 1.208 109.967 108.800 -0.069 0.000 2.442 70 G HA2 0.004 3.968 3.960 0.006 0.000 0.219 70 G HA3 0.004 3.968 3.960 0.006 0.000 0.219 70 G C 2.004 176.850 174.900 -0.090 0.000 1.141 70 G CA 1.462 46.488 45.100 -0.124 0.000 0.763 70 G HN 0.642 nan 8.290 nan 0.000 0.554 71 A N -0.042 122.736 122.820 -0.069 0.000 2.070 71 A HA -0.036 4.288 4.320 0.006 0.000 0.220 71 A C 2.152 179.677 177.584 -0.098 0.000 1.159 71 A CA 1.607 53.608 52.037 -0.060 0.000 0.656 71 A CB -0.175 18.779 19.000 -0.077 0.000 0.800 71 A HN 0.490 nan 8.150 nan 0.000 0.453 72 Q N -1.835 117.886 119.800 -0.132 0.000 2.198 72 Q HA 0.323 4.666 4.340 0.006 0.000 0.209 72 Q C 0.775 176.643 176.000 -0.220 0.000 0.848 72 Q CA 0.233 55.969 55.803 -0.113 0.000 0.974 72 Q CB 0.485 29.194 28.738 -0.049 0.000 1.115 72 Q HN 0.823 nan 8.270 nan 0.000 0.494 73 G N 1.543 110.190 108.800 -0.255 0.000 2.137 73 G HA2 -0.201 3.763 3.960 0.006 0.000 0.237 73 G HA3 -0.201 3.763 3.960 0.006 0.000 0.237 73 G C -0.393 174.151 174.900 -0.593 0.000 1.002 73 G CA -0.253 44.610 45.100 -0.395 0.000 0.702 73 G HN 0.405 nan 8.290 nan 0.000 0.515 74 H N -1.017 117.991 119.070 -0.103 0.000 2.689 74 H HA 0.563 5.122 4.556 0.006 0.000 0.346 74 H C 0.887 176.148 175.328 -0.112 0.000 1.037 74 H CA -0.025 55.971 56.048 -0.086 0.000 1.234 74 H CB 1.613 31.353 29.762 -0.037 0.000 1.572 74 H HN 0.271 nan 8.280 nan 0.000 0.524 75 G N 1.903 110.695 108.800 -0.013 0.000 3.192 75 G HA2 0.019 3.982 3.960 0.006 0.000 0.239 75 G HA3 0.019 3.982 3.960 0.006 0.000 0.239 75 G C 0.375 175.266 174.900 -0.015 0.000 1.084 75 G CA 0.122 45.161 45.100 -0.102 0.000 0.784 75 G HN 0.574 nan 8.290 nan 0.000 0.540 76 T N -2.916 111.668 114.554 0.051 0.000 2.932 76 T HA 0.436 4.790 4.350 0.006 0.000 0.289 76 T C 1.582 176.274 174.700 -0.013 0.000 1.039 76 T CA 0.434 62.560 62.100 0.044 0.000 1.024 76 T CB 1.543 70.481 68.868 0.116 0.000 1.090 76 T HN 0.042 nan 8.240 nan 0.000 0.496 77 T N -1.580 112.903 114.554 -0.118 0.000 2.849 77 T HA -0.017 4.337 4.350 0.006 0.000 0.270 77 T C -1.037 173.456 174.700 -0.344 0.000 1.066 77 T CA 0.980 62.849 62.100 -0.386 0.000 1.130 77 T CB -1.826 66.639 68.868 -0.671 0.000 0.864 77 T HN 0.454 nan 8.240 nan 0.000 0.481 78 P HA 0.049 nan 4.420 nan 0.000 0.215 78 P C 1.798 179.099 177.300 0.002 0.000 1.153 78 P CA 1.581 64.631 63.100 -0.084 0.000 0.853 78 P CB -0.326 31.328 31.700 -0.076 0.000 0.788 79 A N -1.051 121.762 122.820 -0.011 0.000 1.878 79 A HA -0.068 4.256 4.320 0.006 0.000 0.213 79 A C 2.174 179.775 177.584 0.030 0.000 1.192 79 A CA 0.992 52.977 52.037 -0.085 0.000 0.619 79 A CB -1.443 17.348 19.000 -0.349 0.000 0.837 79 A HN 0.056 nan 8.150 nan 0.000 0.446 80 I N -1.159 119.452 120.570 0.070 0.000 2.226 80 I HA -0.228 3.946 4.170 0.006 0.000 0.245 80 I C 2.146 178.467 176.117 0.340 0.000 1.100 80 I CA 1.141 62.547 61.300 0.176 0.000 1.374 80 I CB -0.400 37.688 38.000 0.145 0.000 1.057 80 I HN 0.217 nan 8.210 nan 0.000 0.413 81 F N 0.101 120.129 119.950 0.130 0.000 2.216 81 F HA -0.240 4.290 4.527 0.005 0.000 0.300 81 F C 2.467 178.403 175.800 0.227 0.000 1.085 81 F CA 1.057 59.161 58.000 0.173 0.000 1.326 81 F CB -1.269 37.846 39.000 0.192 0.000 1.027 81 F HN 0.101 nan 8.300 nan 0.000 0.497 82 Y N 0.244 120.692 120.300 0.246 0.000 2.314 82 Y HA -0.102 4.452 4.550 0.006 0.000 0.293 82 Y C 2.115 178.099 175.900 0.140 0.000 1.129 82 Y CA 1.160 59.332 58.100 0.120 0.000 1.201 82 Y CB -0.452 38.020 38.460 0.019 0.000 0.999 82 Y HN -0.032 nan 8.280 nan 0.000 0.541 83 L N -0.820 120.490 121.223 0.145 0.000 2.141 83 L HA -0.201 4.143 4.340 0.006 0.000 0.209 83 L C 2.068 179.037 176.870 0.165 0.000 1.094 83 L CA 1.009 55.923 54.840 0.123 0.000 0.763 83 L CB -0.429 41.763 42.059 0.222 0.000 0.908 83 L HN 0.238 nan 8.230 nan 0.000 0.437 84 L N -2.263 119.056 121.223 0.160 0.000 2.341 84 L HA -0.037 4.306 4.340 0.006 0.000 0.214 84 L C 0.259 177.337 176.870 0.348 0.000 1.115 84 L CA 0.171 55.077 54.840 0.110 0.000 0.820 84 L CB 0.070 42.107 42.059 -0.037 0.000 0.944 84 L HN 0.311 nan 8.230 nan 0.000 0.452 85 W N 1.157 122.489 121.300 0.053 0.000 2.680 85 W HA 0.307 4.970 4.660 0.006 0.000 0.305 85 W C -0.516 175.974 176.519 -0.048 0.000 1.033 85 W CA -1.352 56.021 57.345 0.047 0.000 1.242 85 W CB 0.636 30.142 29.460 0.076 0.000 1.138 85 W HN -0.219 nan 8.180 nan 0.000 0.358 86 R N 4.694 125.120 120.500 -0.124 0.000 3.152 86 R HA 0.092 4.435 4.340 0.006 0.000 0.209 86 R C -0.227 175.895 176.300 -0.296 0.000 1.649 86 R CA 0.166 55.965 56.100 -0.501 0.000 1.185 86 R CB -0.824 29.286 30.300 -0.317 0.000 1.258 86 R HN 0.430 nan 8.270 nan 0.000 0.656 87 N N 0.742 119.226 118.700 -0.359 0.000 2.324 87 N HA 0.086 4.830 4.740 0.006 0.000 0.285 87 N C 0.581 176.009 175.510 -0.135 0.000 1.076 87 N CA -0.490 52.321 53.050 -0.398 0.000 0.864 87 N CB 1.758 39.520 38.487 -1.208 0.000 1.632 87 N HN 0.027 nan 8.380 nan 0.000 0.478 88 R N 2.300 122.795 120.500 -0.008 0.000 2.117 88 R HA -0.073 4.271 4.340 0.006 0.000 0.243 88 R C 1.542 177.873 176.300 0.051 0.000 1.143 88 R CA 1.638 57.748 56.100 0.016 0.000 0.968 88 R CB -0.789 29.537 30.300 0.043 0.000 0.863 88 R HN 0.610 nan 8.270 nan 0.000 0.444 89 F N 0.317 120.163 119.950 -0.173 0.000 2.333 89 F HA 0.044 4.575 4.527 0.006 0.000 0.300 89 F C 1.912 177.694 175.800 -0.030 0.000 1.083 89 F CA 0.849 58.802 58.000 -0.080 0.000 1.395 89 F CB -0.582 38.391 39.000 -0.045 0.000 1.056 89 F HN 0.143 nan 8.300 nan 0.000 0.529 90 A N -0.017 122.682 122.820 -0.203 0.000 1.930 90 A HA -0.190 4.134 4.320 0.006 0.000 0.217 90 A C 2.306 180.013 177.584 0.204 0.000 1.175 90 A CA 1.634 53.704 52.037 0.055 0.000 0.627 90 A CB -0.527 18.525 19.000 0.087 0.000 0.815 90 A HN 0.396 nan 8.150 nan 0.000 0.443 91 K N -0.418 120.032 120.400 0.083 0.000 2.097 91 K HA -0.008 4.315 4.320 0.006 0.000 0.205 91 K C 1.763 178.358 176.600 -0.009 0.000 1.050 91 K CA 1.430 57.726 56.287 0.015 0.000 0.938 91 K CB -0.320 32.109 32.500 -0.118 0.000 0.718 91 K HN 0.537 nan 8.250 nan 0.000 0.442 92 I N 1.086 121.648 120.570 -0.013 0.000 2.202 92 I HA -0.270 3.904 4.170 0.006 0.000 0.242 92 I C 2.176 178.327 176.117 0.056 0.000 1.091 92 I CA 1.170 62.463 61.300 -0.011 0.000 1.368 92 I CB -0.265 37.769 38.000 0.056 0.000 1.058 92 I HN 0.102 nan 8.210 nan 0.000 0.410 93 L N 0.580 121.825 121.223 0.036 0.000 2.131 93 L HA -0.138 4.205 4.340 0.006 0.000 0.210 93 L C 2.601 179.835 176.870 0.607 0.000 1.092 93 L CA 1.409 56.467 54.840 0.364 0.000 0.759 93 L CB -1.000 41.207 42.059 0.246 0.000 0.903 93 L HN 0.336 nan 8.230 nan 0.000 0.435 94 G N -0.692 108.334 108.800 0.376 0.000 2.470 94 G HA2 -0.158 3.806 3.960 0.006 0.000 0.220 94 G HA3 -0.158 3.806 3.960 0.006 0.000 0.220 94 G C 1.557 176.403 174.900 -0.089 0.000 1.121 94 G CA 0.594 45.688 45.100 -0.010 0.000 0.766 94 G HN 0.216 nan 8.290 nan 0.000 0.553 95 V N 0.338 120.169 119.914 -0.139 0.000 2.469 95 V HA -0.154 3.969 4.120 0.006 0.000 0.251 95 V C 2.380 178.270 176.094 -0.340 0.000 1.064 95 V CA 1.283 63.329 62.300 -0.425 0.000 1.066 95 V CB -0.634 30.681 31.823 -0.847 0.000 0.667 95 V HN 0.350 nan 8.190 nan 0.000 0.461 96 F N 1.359 121.273 119.950 -0.059 0.000 2.333 96 F HA -0.040 4.491 4.527 0.006 0.000 0.300 96 F C 2.300 177.734 175.800 -0.609 0.000 1.083 96 F CA 1.347 59.259 58.000 -0.146 0.000 1.395 96 F CB -0.887 38.029 39.000 -0.140 0.000 1.056 96 F HN 0.235 nan 8.300 nan 0.000 0.529 97 G N -0.809 107.673 108.800 -0.529 0.000 2.679 97 G HA2 -0.018 3.946 3.960 0.006 0.000 0.212 97 G HA3 -0.018 3.946 3.960 0.006 0.000 0.212 97 G C 1.465 176.253 174.900 -0.187 0.000 1.137 97 G CA 0.436 45.291 45.100 -0.408 0.000 0.787 97 G HN 0.360 nan 8.290 nan 0.000 0.534 98 L N -2.503 118.606 121.223 -0.189 0.000 2.547 98 L HA 0.280 4.624 4.340 0.006 0.000 0.218 98 L C 2.335 179.162 176.870 -0.072 0.000 1.048 98 L CA -0.189 54.554 54.840 -0.161 0.000 0.859 98 L CB -0.207 41.660 42.059 -0.321 0.000 1.128 98 L HN 0.314 nan 8.230 nan 0.000 0.483 99 W N 1.878 123.031 121.300 -0.244 0.000 2.379 99 W HA -0.139 4.525 4.660 0.006 0.000 0.307 99 W C 2.193 178.684 176.519 -0.047 0.000 1.200 99 W CA 1.655 58.921 57.345 -0.132 0.000 1.297 99 W CB -0.085 29.315 29.460 -0.099 0.000 1.140 99 W HN -0.071 nan 8.180 nan 0.000 0.507 100 I N 1.889 122.503 120.570 0.074 0.000 2.127 100 I HA -0.288 3.886 4.170 0.006 0.000 0.241 100 I C -0.287 175.664 176.117 -0.276 0.000 1.075 100 I CA 1.711 62.905 61.300 -0.177 0.000 1.334 100 I CB -2.054 35.881 38.000 -0.108 0.000 1.040 100 I HN -0.041 nan 8.210 nan 0.000 0.405 101 P HA -0.177 nan 4.420 nan 0.000 0.218 101 P C 1.909 179.139 177.300 -0.116 0.000 1.149 101 P CA 1.327 64.369 63.100 -0.096 0.000 0.817 101 P CB -0.024 31.668 31.700 -0.013 0.000 0.785 102 L N 0.120 121.266 121.223 -0.127 0.000 2.027 102 L HA -0.089 4.255 4.340 0.006 0.000 0.206 102 L C 2.460 179.252 176.870 -0.130 0.000 1.074 102 L CA 1.677 56.466 54.840 -0.086 0.000 0.745 102 L CB -1.244 40.783 42.059 -0.053 0.000 0.898 102 L HN -0.247 nan 8.230 nan 0.000 0.433 103 V N -1.162 118.570 119.914 -0.303 0.000 2.358 103 V HA -0.248 3.875 4.120 0.006 0.000 0.246 103 V C 2.497 178.534 176.094 -0.095 0.000 1.047 103 V CA 1.585 63.728 62.300 -0.262 0.000 1.035 103 V CB -0.395 31.053 31.823 -0.626 0.000 0.658 103 V HN 0.342 nan 8.190 nan 0.000 0.452 104 V N 0.336 120.134 119.914 -0.194 0.000 2.343 104 V HA -0.251 3.873 4.120 0.006 0.000 0.247 104 V C 2.706 178.535 176.094 -0.440 0.000 1.051 104 V CA 1.942 64.019 62.300 -0.372 0.000 1.036 104 V CB -1.097 30.576 31.823 -0.251 0.000 0.654 104 V HN 0.561 nan 8.190 nan 0.000 0.451 105 A N -0.021 122.688 122.820 -0.185 0.000 1.940 105 A HA -0.200 4.124 4.320 0.006 0.000 0.219 105 A C 2.161 179.767 177.584 0.036 0.000 1.176 105 A CA 1.918 53.921 52.037 -0.057 0.000 0.631 105 A CB -0.608 18.389 19.000 -0.004 0.000 0.814 105 A HN 0.520 nan 8.150 nan 0.000 0.446 106 I N -1.102 119.500 120.570 0.053 0.000 2.335 106 I HA -0.318 3.856 4.170 0.006 0.000 0.251 106 I C 2.355 178.587 176.117 0.191 0.000 1.129 106 I CA 1.957 63.347 61.300 0.149 0.000 1.402 106 I CB -0.299 37.799 38.000 0.165 0.000 1.069 106 I HN 0.770 nan 8.210 nan 0.000 0.424 107 Y N -2.842 117.547 120.300 0.149 0.000 2.535 107 Y HA 0.085 4.638 4.550 0.005 0.000 0.266 107 Y C 2.242 178.231 175.900 0.149 0.000 1.088 107 Y CA -0.249 57.930 58.100 0.132 0.000 1.285 107 Y CB -1.056 37.480 38.460 0.126 0.000 1.166 107 Y HN -0.032 nan 8.280 nan 0.000 0.525 108 Y N 1.460 121.566 120.300 -0.323 0.000 2.181 108 Y HA -0.163 4.390 4.550 0.006 0.000 0.288 108 Y C 2.271 178.162 175.900 -0.016 0.000 1.146 108 Y CA 2.180 60.181 58.100 -0.165 0.000 1.164 108 Y CB -0.186 38.142 38.460 -0.220 0.000 0.982 108 Y HN 0.035 nan 8.280 nan 0.000 0.515 109 V N -0.622 119.458 119.914 0.276 0.000 2.515 109 V HA -0.288 3.835 4.120 0.006 0.000 0.250 109 V C 1.900 178.215 176.094 0.367 0.000 1.058 109 V CA 1.926 64.415 62.300 0.315 0.000 1.064 109 V CB -1.035 31.001 31.823 0.355 0.000 0.675 109 V HN 0.504 nan 8.190 nan 0.000 0.461 110 Y N 0.779 121.140 120.300 0.101 0.000 2.163 110 Y HA -0.148 4.405 4.550 0.006 0.000 0.288 110 Y C 2.228 177.773 175.900 -0.592 0.000 1.136 110 Y CA 1.271 59.274 58.100 -0.160 0.000 1.147 110 Y CB -0.329 37.904 38.460 -0.379 0.000 0.987 110 Y HN 0.193 nan 8.280 nan 0.000 0.509 111 I N 0.219 120.244 120.570 -0.909 0.000 2.286 111 I HA -0.295 3.878 4.170 0.006 0.000 0.248 111 I C 2.506 178.209 176.117 -0.690 0.000 1.115 111 I CA 1.869 62.255 61.300 -1.523 0.000 1.392 111 I CB -0.499 36.935 38.000 -0.943 0.000 1.065 111 I HN 0.299 nan 8.210 nan 0.000 0.418 112 E N 1.222 121.231 120.200 -0.317 0.000 2.085 112 E HA -0.265 4.088 4.350 0.006 0.000 0.194 112 E C 2.260 178.973 176.600 0.187 0.000 0.994 112 E CA 1.865 58.255 56.400 -0.017 0.000 0.801 112 E CB 0.012 29.750 29.700 0.063 0.000 0.743 112 E HN 0.541 nan 8.360 nan 0.000 0.453 113 S N -0.350 115.455 115.700 0.176 0.000 2.402 113 S HA -0.146 4.327 4.470 0.006 0.000 0.229 113 S C 1.640 176.437 174.600 0.329 0.000 1.021 113 S CA 0.797 59.181 58.200 0.306 0.000 0.974 113 S CB -0.653 62.844 63.200 0.494 0.000 0.800 113 S HN 0.418 nan 8.310 nan 0.000 0.484 114 W N 2.968 124.268 121.300 -0.000 0.000 2.358 114 W HA 0.004 4.667 4.660 0.005 0.000 0.303 114 W C 3.073 179.575 176.519 -0.029 0.000 1.208 114 W CA 1.357 58.638 57.345 -0.108 0.000 1.274 114 W CB -1.827 27.321 29.460 -0.520 0.000 1.138 114 W HN 0.619 nan 8.180 nan 0.000 0.515 115 T N -1.041 113.701 114.554 0.314 0.000 2.788 115 T HA -0.189 4.164 4.350 0.006 0.000 0.268 115 T C 1.927 176.748 174.700 0.203 0.000 1.044 115 T CA 1.410 63.670 62.100 0.267 0.000 1.139 115 T CB -0.768 68.249 68.868 0.248 0.000 0.867 115 T HN -0.006 nan 8.240 nan 0.000 0.454 116 L N 2.129 123.412 121.223 0.100 0.000 2.056 116 L HA 0.306 4.649 4.340 0.006 0.000 0.207 116 L C 2.701 179.627 176.870 0.094 0.000 1.078 116 L CA 2.043 56.772 54.840 -0.186 0.000 0.749 116 L CB -1.301 40.433 42.059 -0.541 0.000 0.901 116 L HN 0.368 nan 8.230 nan 0.000 0.433 117 G N -1.148 107.773 108.800 0.201 0.000 2.418 117 G HA2 -0.295 3.668 3.960 0.006 0.000 0.217 117 G HA3 -0.295 3.668 3.960 0.006 0.000 0.217 117 G C 1.427 176.606 174.900 0.465 0.000 1.158 117 G CA 0.917 46.220 45.100 0.338 0.000 0.771 117 G HN 0.390 nan 8.290 nan 0.000 0.545 118 F N 1.796 121.746 119.950 -0.000 0.000 2.146 118 F HA 0.106 4.636 4.527 0.006 0.000 0.298 118 F C 3.012 178.961 175.800 0.248 0.000 1.096 118 F CA 0.592 58.571 58.000 -0.035 0.000 1.275 118 F CB -0.608 37.822 39.000 -0.950 0.000 1.008 118 F HN 0.244 nan 8.300 nan 0.000 0.480 119 A N 0.429 123.512 122.820 0.439 0.000 1.883 119 A HA -0.188 4.135 4.320 0.006 0.000 0.217 119 A C 2.316 180.282 177.584 0.636 0.000 1.186 119 A CA 1.882 54.284 52.037 0.607 0.000 0.624 119 A CB -1.149 18.140 19.000 0.482 0.000 0.822 119 A HN 0.363 nan 8.150 nan 0.000 0.444 120 I N -0.574 120.279 120.570 0.471 0.000 2.127 120 I HA -0.306 3.868 4.170 0.006 0.000 0.241 120 I C 2.544 178.854 176.117 0.321 0.000 1.075 120 I CA 1.833 63.364 61.300 0.386 0.000 1.334 120 I CB -0.322 37.943 38.000 0.443 0.000 1.040 120 I HN 0.306 nan 8.210 nan 0.000 0.405 121 K N 0.062 120.677 120.400 0.358 0.000 2.097 121 K HA -0.149 4.175 4.320 0.006 0.000 0.206 121 K C 2.079 178.773 176.600 0.155 0.000 1.049 121 K CA 1.466 57.869 56.287 0.194 0.000 0.933 121 K CB -0.188 32.441 32.500 0.215 0.000 0.717 121 K HN 0.137 nan 8.250 nan 0.000 0.442 122 F N 0.832 120.901 119.950 0.198 0.000 2.206 122 F HA -0.138 4.392 4.527 0.006 0.000 0.298 122 F C 2.113 178.016 175.800 0.172 0.000 1.090 122 F CA 0.596 58.731 58.000 0.226 0.000 1.323 122 F CB -0.370 38.882 39.000 0.420 0.000 1.028 122 F HN -0.040 nan 8.300 nan 0.000 0.492 123 L N 0.414 121.801 121.223 0.273 0.000 2.017 123 L HA -0.114 4.229 4.340 0.006 0.000 0.208 123 L C 2.067 178.922 176.870 -0.024 0.000 1.073 123 L CA 1.696 56.482 54.840 -0.091 0.000 0.745 123 L CB -0.740 41.091 42.059 -0.380 0.000 0.894 123 L HN 0.078 nan 8.230 nan 0.000 0.432 124 V N -2.440 117.480 119.914 0.010 0.000 3.620 124 V HA 0.451 4.575 4.120 0.006 0.000 0.286 124 V C 1.452 177.529 176.094 -0.028 0.000 1.288 124 V CA 0.264 62.556 62.300 -0.013 0.000 1.178 124 V CB -1.091 30.724 31.823 -0.014 0.000 0.986 124 V HN 0.634 nan 8.190 nan 0.000 0.431 125 G N 1.117 109.901 108.800 -0.027 0.000 2.168 125 G HA2 -0.272 3.692 3.960 0.006 0.000 0.257 125 G HA3 -0.272 3.692 3.960 0.006 0.000 0.257 125 G C 0.092 174.911 174.900 -0.134 0.000 0.997 125 G CA 0.572 45.628 45.100 -0.074 0.000 0.708 125 G HN 0.638 nan 8.290 nan 0.000 0.520 126 L N 0.898 122.036 121.223 -0.142 0.000 2.536 126 L HA 0.463 4.806 4.340 0.006 0.000 0.242 126 L C 0.827 177.564 176.870 -0.222 0.000 1.280 126 L CA -0.568 54.188 54.840 -0.141 0.000 1.221 126 L CB 0.046 42.040 42.059 -0.108 0.000 1.449 126 L HN 0.275 nan 8.230 nan 0.000 0.405 127 V N -1.326 118.359 119.914 -0.382 0.000 3.074 127 V HA 0.719 4.843 4.120 0.006 0.000 0.314 127 V C -2.346 173.424 176.094 -0.540 0.000 1.117 127 V CA -2.138 59.729 62.300 -0.721 0.000 1.014 127 V CB 1.540 32.738 31.823 -1.041 0.000 1.057 127 V HN 0.174 nan 8.190 nan 0.000 0.438 128 P HA 0.250 nan 4.420 nan 0.000 0.269 128 P C -0.790 176.252 177.300 -0.430 0.000 1.215 128 P CA 0.059 62.820 63.100 -0.565 0.000 0.780 128 P CB 0.551 31.750 31.700 -0.835 0.000 0.898 129 E N 2.502 122.553 120.200 -0.248 0.000 2.101 129 E HA 0.329 4.683 4.350 0.006 0.000 0.260 129 E C -2.180 174.379 176.600 -0.068 0.000 0.897 129 E CA -1.787 54.540 56.400 -0.121 0.000 0.744 129 E CB 0.453 30.104 29.700 -0.081 0.000 1.140 129 E HN 0.377 nan 8.360 nan 0.000 0.419 130 P HA 0.065 nan 4.420 nan 0.000 0.269 130 P C -2.428 174.902 177.300 0.050 0.000 1.209 130 P CA -1.091 62.050 63.100 0.068 0.000 0.776 130 P CB 0.039 31.857 31.700 0.196 0.000 0.876 131 P HA 0.223 nan 4.420 nan 0.000 0.279 131 P C -2.209 175.118 177.300 0.045 0.000 1.318 131 P CA -1.059 62.062 63.100 0.035 0.000 0.819 131 P CB -0.237 31.481 31.700 0.029 0.000 0.927 136 D N 5.098 125.533 120.400 0.058 0.000 2.451 136 D HA 0.156 4.799 4.640 0.006 0.000 0.254 136 D C -0.607 175.754 176.300 0.101 0.000 1.204 136 D CA -1.419 52.621 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 0.164 nan 8.370 nan 0.000 0.499 137 P HA -0.161 nan 4.420 nan 0.000 0.218 137 P C 0.618 178.014 177.300 0.160 0.000 1.148 137 P CA 0.977 64.202 63.100 0.208 0.000 0.822 137 P CB 0.449 32.312 31.700 0.272 0.000 0.784 138 D N -0.034 120.425 120.400 0.099 0.000 2.194 138 D HA -0.073 4.570 4.640 0.006 0.000 0.204 138 D C 2.151 178.496 176.300 0.075 0.000 0.964 138 D CA 1.454 55.495 54.000 0.069 0.000 0.846 138 D CB -0.196 40.628 40.800 0.039 0.000 0.962 138 D HN 0.292 nan 8.370 nan 0.000 0.490 139 S N 0.100 115.846 115.700 0.077 0.000 2.481 139 S HA -0.019 4.454 4.470 0.006 0.000 0.231 139 S C 2.050 176.711 174.600 0.101 0.000 0.996 139 S CA 0.355 58.597 58.200 0.070 0.000 0.942 139 S CB -0.232 63.002 63.200 0.057 0.000 0.768 139 S HN 0.238 nan 8.310 nan 0.000 0.520 140 I N 0.282 120.938 120.570 0.143 0.000 2.927 140 I HA 0.119 4.293 4.170 0.006 0.000 0.268 140 I C 2.153 178.450 176.117 0.300 0.000 1.153 140 I CA 0.471 61.897 61.300 0.210 0.000 1.459 140 I CB -0.128 37.993 38.000 0.202 0.000 1.149 140 I HN 0.230 nan 8.210 nan 0.000 0.443 141 L N 0.480 121.841 121.223 0.229 0.000 2.131 141 L HA -0.066 4.278 4.340 0.006 0.000 0.206 141 L C 2.728 179.716 176.870 0.197 0.000 1.087 141 L CA 0.859 55.836 54.840 0.228 0.000 0.767 141 L CB -0.458 41.672 42.059 0.117 0.000 0.917 141 L HN 0.186 nan 8.230 nan 0.000 0.441 142 R N 0.631 121.196 120.500 0.108 0.000 2.096 142 R HA -0.196 4.147 4.340 0.006 0.000 0.240 142 R C -0.447 175.869 176.300 0.027 0.000 1.139 142 R CA 1.962 58.084 56.100 0.038 0.000 0.952 142 R CB -1.148 29.162 30.300 0.016 0.000 0.854 142 R HN 0.216 nan 8.270 nan 0.000 0.436 143 P HA -0.131 nan 4.420 nan 0.000 0.216 143 P C 0.636 177.840 177.300 -0.161 0.000 1.150 143 P CA 1.396 64.428 63.100 -0.113 0.000 0.837 143 P CB -0.069 31.500 31.700 -0.218 0.000 0.786 144 F N -0.230 119.767 119.950 0.079 0.000 2.293 144 F HA 0.003 4.534 4.527 0.006 0.000 0.297 144 F C 2.365 178.285 175.800 0.200 0.000 1.089 144 F CA 1.099 59.197 58.000 0.162 0.000 1.377 144 F CB -0.527 38.572 39.000 0.165 0.000 1.051 144 F HN -0.177 nan 8.300 nan 0.000 0.511 145 K N 0.918 121.431 120.400 0.187 0.000 2.025 145 K HA -0.172 4.152 4.320 0.006 0.000 0.207 145 K C 1.774 178.268 176.600 -0.176 0.000 1.049 145 K CA 1.687 57.933 56.287 -0.069 0.000 0.933 145 K CB -0.138 32.204 32.500 -0.263 0.000 0.714 145 K HN 0.256 nan 8.250 nan 0.000 0.438 146 E N -0.193 119.957 120.200 -0.084 0.000 2.110 146 E HA -0.205 4.148 4.350 0.006 0.000 0.193 146 E C 1.843 178.505 176.600 0.103 0.000 0.988 146 E CA 1.126 57.514 56.400 -0.020 0.000 0.804 146 E CB -0.216 29.477 29.700 -0.011 0.000 0.745 146 E HN 0.305 nan 8.360 nan 0.000 0.458 147 F N 1.529 121.472 119.950 -0.012 0.000 2.102 147 F HA -0.203 4.328 4.527 0.006 0.000 0.298 147 F C 2.144 178.015 175.800 0.118 0.000 1.105 147 F CA 1.175 59.171 58.000 -0.007 0.000 1.239 147 F CB -0.189 38.770 39.000 -0.068 0.000 0.991 147 F HN -0.002 nan 8.300 nan 0.000 0.474 148 L N -0.581 120.880 121.223 0.396 0.000 2.056 148 L HA -0.202 4.141 4.340 0.006 0.000 0.207 148 L C 2.097 179.105 176.870 0.230 0.000 1.078 148 L CA 1.806 56.877 54.840 0.385 0.000 0.749 148 L CB -1.363 40.975 42.059 0.464 0.000 0.901 148 L HN 0.149 nan 8.230 nan 0.000 0.433 149 Y N -0.090 120.208 120.300 -0.004 0.000 2.256 149 Y HA -0.156 4.398 4.550 0.006 0.000 0.288 149 Y C 2.829 178.673 175.900 -0.094 0.000 1.155 149 Y CA 1.194 59.259 58.100 -0.059 0.000 1.203 149 Y CB -1.140 37.310 38.460 -0.016 0.000 0.980 149 Y HN 0.266 nan 8.280 nan 0.000 0.530 150 S N -1.423 114.316 115.700 0.065 0.000 2.436 150 S HA -0.145 4.328 4.470 0.006 0.000 0.228 150 S C 1.778 176.315 174.600 -0.105 0.000 1.014 150 S CA 0.551 58.726 58.200 -0.041 0.000 0.950 150 S CB -0.491 62.666 63.200 -0.072 0.000 0.784 150 S HN 0.532 nan 8.310 nan 0.000 0.504 151 Y N 2.893 123.030 120.300 -0.272 0.000 2.133 151 Y HA -0.042 4.512 4.550 0.006 0.000 0.287 151 Y C 1.954 177.667 175.900 -0.311 0.000 1.134 151 Y CA 1.672 59.594 58.100 -0.297 0.000 1.133 151 Y CB -0.178 38.090 38.460 -0.321 0.000 0.987 151 Y HN 0.308 nan 8.280 nan 0.000 0.502 152 I N -2.996 117.419 120.570 -0.259 0.000 3.419 152 I HA 0.357 4.531 4.170 0.006 0.000 0.286 152 I C 1.314 177.256 176.117 -0.292 0.000 1.268 152 I CA 0.775 61.832 61.300 -0.405 0.000 1.414 152 I CB -0.389 37.199 38.000 -0.687 0.000 1.074 152 I HN 0.287 nan 8.210 nan 0.000 0.457 153 G N 2.465 111.129 108.800 -0.227 0.000 2.291 153 G HA2 -0.183 3.780 3.960 0.006 0.000 0.271 153 G HA3 -0.183 3.780 3.960 0.006 0.000 0.271 153 G C 0.011 174.801 174.900 -0.182 0.000 1.099 153 G CA 0.069 45.065 45.100 -0.174 0.000 0.919 153 G HN 0.273 nan 8.290 nan 0.000 0.496 154 V N 0.713 120.479 119.914 -0.247 0.000 2.788 154 V HA 0.181 4.305 4.120 0.006 0.000 0.307 154 V C -0.885 175.108 176.094 -0.168 0.000 1.069 154 V CA -0.374 61.739 62.300 -0.312 0.000 1.173 154 V CB 0.580 31.998 31.823 -0.675 0.000 0.925 154 V HN 0.369 nan 8.190 nan 0.000 0.492 155 P HA 0.128 nan 4.420 nan 0.000 0.264 155 P C 0.231 177.505 177.300 -0.043 0.000 1.193 155 P CA 0.113 63.165 63.100 -0.080 0.000 0.763 155 P CB 0.395 32.043 31.700 -0.086 0.000 0.810 156 K N 1.459 121.849 120.400 -0.017 0.000 2.334 156 K HA 0.149 4.472 4.320 0.006 0.000 0.195 156 K C 1.349 177.953 176.600 0.007 0.000 1.045 156 K CA 0.331 56.623 56.287 0.007 0.000 1.004 156 K CB 0.363 32.871 32.500 0.013 0.000 0.837 156 K HN 0.559 nan 8.250 nan 0.000 0.510 157 G N 0.494 109.293 108.800 -0.001 0.000 3.019 157 G HA2 0.031 3.994 3.960 0.006 0.000 0.152 157 G HA3 0.031 3.994 3.960 0.006 0.000 0.152 157 G C -0.048 174.852 174.900 0.001 0.000 1.320 157 G CA -0.230 44.873 45.100 0.005 0.000 1.013 157 G HN -0.070 nan 8.290 nan 0.000 0.593 158 D N -0.010 120.396 120.400 0.010 0.000 2.417 158 D HA 0.095 4.738 4.640 0.006 0.000 0.207 158 D C 0.205 176.509 176.300 0.006 0.000 1.075 158 D CA 0.218 54.226 54.000 0.013 0.000 0.851 158 D CB 0.782 41.605 40.800 0.039 0.000 0.976 158 D HN 0.419 nan 8.370 nan 0.000 0.505 159 E N 2.646 122.852 120.200 0.009 0.000 2.344 159 E HA 0.079 4.432 4.350 0.006 0.000 0.270 159 E C -1.931 174.637 176.600 -0.053 0.000 1.021 159 E CA -1.363 55.043 56.400 0.010 0.000 0.887 159 E CB 0.951 30.668 29.700 0.028 0.000 0.997 159 E HN 0.006 nan 8.360 nan 0.000 0.429 160 P HA 0.101 nan 4.420 nan 0.000 0.237 160 P C -0.736 176.496 177.300 -0.114 0.000 1.723 160 P CA 0.277 63.265 63.100 -0.186 0.000 0.882 160 P CB -0.081 31.403 31.700 -0.361 0.000 1.810 161 I N 1.020 121.553 120.570 -0.062 0.000 2.530 161 I HA 0.359 4.532 4.170 0.006 0.000 0.297 161 I C 0.620 176.720 176.117 -0.027 0.000 1.011 161 I CA -1.355 59.934 61.300 -0.017 0.000 1.107 161 I CB 2.007 40.019 38.000 0.019 0.000 1.285 161 I HN -0.048 nan 8.210 nan 0.000 0.436 162 L N 5.363 126.577 121.223 -0.016 0.000 2.334 162 L HA 0.521 4.865 4.340 0.006 0.000 0.275 162 L C 0.447 177.288 176.870 -0.048 0.000 1.036 162 L CA -0.684 54.106 54.840 -0.083 0.000 0.807 162 L CB 1.267 43.232 42.059 -0.157 0.000 1.231 162 L HN 0.399 nan 8.230 nan 0.000 0.438 163 K N 4.010 124.351 120.400 -0.097 0.000 2.753 163 K HA 0.324 4.647 4.320 0.006 0.000 0.185 163 K C -2.624 173.885 176.600 -0.151 0.000 1.071 163 K CA -1.782 54.471 56.287 -0.056 0.000 0.999 163 K CB 1.148 33.644 32.500 -0.006 0.000 1.244 163 K HN 0.215 nan 8.250 nan 0.000 0.594 164 P HA -0.033 nan 4.420 nan 0.000 0.267 164 P C 0.097 177.281 177.300 -0.194 0.000 1.200 164 P CA 0.116 63.049 63.100 -0.277 0.000 0.772 164 P CB 0.621 32.125 31.700 -0.326 0.000 0.855 165 S N 2.267 117.827 115.700 -0.232 0.000 2.584 165 S HA -0.011 4.462 4.470 0.006 0.000 0.270 165 S C 1.315 175.872 174.600 -0.071 0.000 1.346 165 S CA -0.593 57.520 58.200 -0.145 0.000 1.018 165 S CB 0.099 63.199 63.200 -0.166 0.000 0.899 165 S HN 0.408 nan 8.310 nan 0.000 0.542 166 L N 1.274 122.503 121.223 0.010 0.000 2.083 166 L HA 0.047 4.390 4.340 0.006 0.000 0.209 166 L C 1.964 178.924 176.870 0.150 0.000 1.083 166 L CA 1.746 56.637 54.840 0.084 0.000 0.752 166 L CB -1.267 40.841 42.059 0.082 0.000 0.899 166 L HN 0.832 nan 8.230 nan 0.000 0.433 167 F N 0.509 120.437 119.950 -0.038 0.000 2.102 167 F HA -0.172 4.358 4.527 0.005 0.000 0.298 167 F C 2.328 178.104 175.800 -0.040 0.000 1.105 167 F CA 1.503 59.495 58.000 -0.014 0.000 1.239 167 F CB -0.873 38.115 39.000 -0.020 0.000 0.991 167 F HN 0.156 nan 8.300 nan 0.000 0.474 168 A N -0.699 121.897 122.820 -0.373 0.000 1.908 168 A HA -0.269 4.054 4.320 0.006 0.000 0.218 168 A C 2.174 179.704 177.584 -0.091 0.000 1.181 168 A CA 1.800 53.481 52.037 -0.594 0.000 0.627 168 A CB -1.699 16.677 19.000 -1.040 0.000 0.818 168 A HN 0.597 nan 8.150 nan 0.000 0.445 169 Y N 0.365 120.605 120.300 -0.100 0.000 2.145 169 Y HA -0.161 4.392 4.550 0.006 0.000 0.286 169 Y C 2.079 178.061 175.900 0.138 0.000 1.145 169 Y CA 1.801 59.936 58.100 0.059 0.000 1.148 169 Y CB -0.232 38.263 38.460 0.058 0.000 0.981 169 Y HN 0.269 nan 8.280 nan 0.000 0.507 170 I N -1.187 119.471 120.570 0.146 0.000 2.286 170 I HA -0.295 3.878 4.170 0.006 0.000 0.248 170 I C 2.132 178.226 176.117 -0.039 0.000 1.115 170 I CA 1.130 62.465 61.300 0.059 0.000 1.392 170 I CB -0.497 37.558 38.000 0.092 0.000 1.065 170 I HN 0.067 nan 8.210 nan 0.000 0.418 171 V N 0.565 120.399 119.914 -0.133 0.000 2.515 171 V HA -0.282 3.842 4.120 0.006 0.000 0.250 171 V C 2.240 178.380 176.094 0.077 0.000 1.058 171 V CA 1.672 63.905 62.300 -0.112 0.000 1.064 171 V CB -0.707 30.964 31.823 -0.253 0.000 0.675 171 V HN 0.372 nan 8.190 nan 0.000 0.461 172 F N 0.452 120.398 119.950 -0.008 0.000 2.146 172 F HA -0.128 4.403 4.527 0.006 0.000 0.298 172 F C 1.993 177.817 175.800 0.040 0.000 1.096 172 F CA 1.462 59.504 58.000 0.070 0.000 1.275 172 F CB -0.342 38.693 39.000 0.058 0.000 1.008 172 F HN 0.036 nan 8.300 nan 0.000 0.480 173 L N -0.135 121.012 121.223 -0.128 0.000 2.012 173 L HA -0.262 4.081 4.340 0.006 0.000 0.210 173 L C 2.523 179.302 176.870 -0.152 0.000 1.073 173 L CA 1.594 56.298 54.840 -0.227 0.000 0.748 173 L CB -0.678 41.289 42.059 -0.153 0.000 0.891 173 L HN 0.154 nan 8.230 nan 0.000 0.431 174 I N -0.822 119.711 120.570 -0.062 0.000 2.226 174 I HA -0.293 3.881 4.170 0.006 0.000 0.245 174 I C 2.475 178.650 176.117 0.096 0.000 1.100 174 I CA 1.538 62.853 61.300 0.026 0.000 1.374 174 I CB -0.514 37.499 38.000 0.021 0.000 1.057 174 I HN 0.268 nan 8.210 nan 0.000 0.413 175 T N 0.718 115.301 114.554 0.049 0.000 2.720 175 T HA -0.168 4.186 4.350 0.006 0.000 0.268 175 T C 1.949 176.653 174.700 0.006 0.000 1.037 175 T CA 1.252 63.422 62.100 0.116 0.000 1.144 175 T CB -0.109 68.865 68.868 0.177 0.000 0.864 175 T HN 0.155 nan 8.240 nan 0.000 0.444 176 M N 0.389 119.883 119.600 -0.176 0.000 2.117 176 M HA 0.040 4.524 4.480 0.006 0.000 0.262 176 M C 2.095 178.342 176.300 -0.088 0.000 1.065 176 M CA 1.223 56.404 55.300 -0.198 0.000 1.114 176 M CB -1.274 31.113 32.600 -0.355 0.000 1.361 176 M HN 0.272 nan 8.290 nan 0.000 0.408 177 F N 1.231 121.079 119.950 -0.171 0.000 2.126 177 F HA -0.185 4.346 4.527 0.006 0.000 0.299 177 F C 2.134 177.883 175.800 -0.085 0.000 1.096 177 F CA 1.484 59.409 58.000 -0.125 0.000 1.255 177 F CB -0.337 38.600 39.000 -0.106 0.000 0.997 177 F HN 0.011 nan 8.300 nan 0.000 0.479 178 I N 0.278 120.824 120.570 -0.039 0.000 2.226 178 I HA -0.328 3.845 4.170 0.006 0.000 0.245 178 I C 2.273 178.242 176.117 -0.245 0.000 1.100 178 I CA 1.298 62.525 61.300 -0.122 0.000 1.374 178 I CB -0.657 37.411 38.000 0.114 0.000 1.057 178 I HN 0.225 nan 8.210 nan 0.000 0.413 179 N N 0.518 119.112 118.700 -0.176 0.000 2.120 179 N HA -0.142 4.601 4.740 0.006 0.000 0.188 179 N C 1.972 177.348 175.510 -0.223 0.000 1.024 179 N CA 1.320 54.255 53.050 -0.192 0.000 0.852 179 N CB -0.056 38.368 38.487 -0.106 0.000 1.003 179 N HN 0.159 nan 8.380 nan 0.000 0.424 180 V N 1.236 121.004 119.914 -0.244 0.000 2.343 180 V HA -0.177 3.946 4.120 0.006 0.000 0.247 180 V C 2.249 178.150 176.094 -0.322 0.000 1.051 180 V CA 1.418 63.567 62.300 -0.251 0.000 1.036 180 V CB -0.502 31.176 31.823 -0.242 0.000 0.654 180 V HN 0.266 nan 8.190 nan 0.000 0.451 181 S N -0.015 115.399 115.700 -0.477 0.000 2.370 181 S HA -0.149 4.324 4.470 0.006 0.000 0.226 181 S C 1.840 176.265 174.600 -0.291 0.000 1.033 181 S CA 1.764 59.705 58.200 -0.431 0.000 1.011 181 S CB -0.319 62.568 63.200 -0.521 0.000 0.852 181 S HN 0.524 nan 8.310 nan 0.000 0.457 182 I N 1.057 121.442 120.570 -0.308 0.000 2.193 182 I HA -0.128 4.046 4.170 0.006 0.000 0.240 182 I C 2.090 178.086 176.117 -0.201 0.000 1.084 182 I CA 1.014 62.148 61.300 -0.276 0.000 1.365 182 I CB -0.367 37.389 38.000 -0.408 0.000 1.064 182 I HN 0.203 nan 8.210 nan 0.000 0.410 183 L N 0.342 121.453 121.223 -0.187 0.000 2.083 183 L HA -0.217 4.126 4.340 0.006 0.000 0.209 183 L C 2.522 179.308 176.870 -0.139 0.000 1.083 183 L CA 1.355 56.111 54.840 -0.140 0.000 0.752 183 L CB -0.357 41.640 42.059 -0.103 0.000 0.899 183 L HN 0.263 nan 8.230 nan 0.000 0.433 184 I N -0.364 120.119 120.570 -0.146 0.000 2.756 184 I HA -0.238 3.935 4.170 0.006 0.000 0.262 184 I C 2.272 178.311 176.117 -0.130 0.000 1.225 184 I CA 0.996 62.219 61.300 -0.128 0.000 1.472 184 I CB -0.042 37.880 38.000 -0.131 0.000 1.094 184 I HN 0.199 nan 8.210 nan 0.000 0.454 185 R N 0.552 120.968 120.500 -0.140 0.000 2.297 185 R HA 0.229 4.573 4.340 0.006 0.000 0.197 185 R C 0.874 177.079 176.300 -0.157 0.000 0.943 185 R CA 0.491 56.513 56.100 -0.130 0.000 1.038 185 R CB 0.227 30.460 30.300 -0.111 0.000 0.957 185 R HN 0.480 nan 8.270 nan 0.000 0.484 186 G N 0.774 109.460 108.800 -0.190 0.000 2.660 186 G HA2 -0.229 3.734 3.960 0.006 0.000 0.247 186 G HA3 -0.229 3.734 3.960 0.006 0.000 0.247 186 G C 0.401 175.090 174.900 -0.351 0.000 1.328 186 G CA -0.585 44.353 45.100 -0.270 0.000 0.884 186 G HN -0.059 nan 8.290 nan 0.000 0.531 187 I N 1.232 121.468 120.570 -0.556 0.000 2.133 187 I HA -0.127 4.047 4.170 0.006 0.000 0.238 187 I C 3.225 179.027 176.117 -0.525 0.000 1.074 187 I CA 3.005 63.825 61.300 -0.800 0.000 1.342 187 I CB -1.797 35.365 38.000 -1.397 0.000 1.053 187 I HN 0.907 nan 8.210 nan 0.000 0.404 188 S N 1.111 116.573 115.700 -0.396 0.000 2.345 188 S HA -0.111 4.363 4.470 0.006 0.000 0.219 188 S C 1.868 176.419 174.600 -0.082 0.000 1.031 188 S CA 0.693 58.791 58.200 -0.169 0.000 0.984 188 S CB -0.461 62.660 63.200 -0.131 0.000 0.874 188 S HN 0.391 nan 8.310 nan 0.000 0.451 189 K N 1.140 121.477 120.400 -0.106 0.000 2.418 189 K HA 0.205 4.528 4.320 0.006 0.000 0.195 189 K C 1.891 178.459 176.600 -0.053 0.000 1.035 189 K CA 0.637 56.887 56.287 -0.062 0.000 1.003 189 K CB -0.087 32.372 32.500 -0.069 0.000 0.793 189 K HN 0.536 nan 8.250 nan 0.000 0.494 190 G N 1.045 109.792 108.800 -0.087 0.000 2.687 190 G HA2 0.006 3.969 3.960 0.006 0.000 0.222 190 G HA3 0.006 3.969 3.960 0.006 0.000 0.222 190 G C 1.344 176.236 174.900 -0.013 0.000 1.445 190 G CA -0.251 44.804 45.100 -0.076 0.000 0.836 190 G HN -0.022 nan 8.290 nan 0.000 0.598 191 I N 0.799 121.346 120.570 -0.038 0.000 2.179 191 I HA -0.119 4.054 4.170 0.006 0.000 0.242 191 I C 2.677 178.896 176.117 0.171 0.000 1.088 191 I CA 1.546 62.887 61.300 0.069 0.000 1.357 191 I CB -0.190 37.818 38.000 0.014 0.000 1.051 191 I HN 0.319 nan 8.210 nan 0.000 0.409 192 E N 1.163 121.477 120.200 0.189 0.000 2.051 192 E HA -0.272 4.081 4.350 0.006 0.000 0.192 192 E C 2.404 179.076 176.600 0.120 0.000 0.991 192 E CA 1.153 57.689 56.400 0.227 0.000 0.799 192 E CB 0.005 29.884 29.700 0.298 0.000 0.748 192 E HN 0.258 nan 8.360 nan 0.000 0.449 193 R N -0.538 120.020 120.500 0.096 0.000 2.081 193 R HA -0.171 4.172 4.340 0.006 0.000 0.235 193 R C 2.258 178.618 176.300 0.101 0.000 1.131 193 R CA 1.533 57.681 56.100 0.080 0.000 0.960 193 R CB -0.354 29.986 30.300 0.067 0.000 0.856 193 R HN 0.218 nan 8.270 nan 0.000 0.436 194 F N 0.882 120.815 119.950 -0.028 0.000 2.146 194 F HA -0.023 4.507 4.527 0.006 0.000 0.298 194 F C 2.076 177.834 175.800 -0.070 0.000 1.096 194 F CA 1.229 59.191 58.000 -0.065 0.000 1.275 194 F CB -0.531 38.403 39.000 -0.111 0.000 1.008 194 F HN 0.091 nan 8.300 nan 0.000 0.480 195 A N 0.327 123.108 122.820 -0.065 0.000 1.940 195 A HA -0.236 4.088 4.320 0.006 0.000 0.219 195 A C 2.231 179.719 177.584 -0.161 0.000 1.176 195 A CA 1.872 53.823 52.037 -0.143 0.000 0.631 195 A CB -0.724 18.267 19.000 -0.015 0.000 0.814 195 A HN 0.462 nan 8.150 nan 0.000 0.446 196 K N -0.804 119.541 120.400 -0.093 0.000 2.362 196 K HA 0.028 4.351 4.320 0.006 0.000 0.200 196 K C 1.456 178.010 176.600 -0.077 0.000 1.046 196 K CA 1.168 57.418 56.287 -0.061 0.000 0.952 196 K CB -0.190 32.300 32.500 -0.016 0.000 0.753 196 K HN 0.606 nan 8.250 nan 0.000 0.466 197 I N -0.326 120.149 120.570 -0.159 0.000 2.810 197 I HA -0.046 4.127 4.170 0.006 0.000 0.262 197 I C 2.327 178.347 176.117 -0.161 0.000 1.131 197 I CA 0.336 61.561 61.300 -0.126 0.000 1.453 197 I CB -0.095 37.837 38.000 -0.114 0.000 1.161 197 I HN 0.002 nan 8.210 nan 0.000 0.444 198 A N 1.244 123.761 122.820 -0.505 0.000 1.872 198 A HA -0.138 4.186 4.320 0.006 0.000 0.214 198 A C 2.316 179.859 177.584 -0.069 0.000 1.187 198 A CA 1.269 53.025 52.037 -0.469 0.000 0.614 198 A CB -0.358 17.900 19.000 -1.238 0.000 0.826 198 A HN 0.200 nan 8.150 nan 0.000 0.442 199 M N -0.507 119.033 119.600 -0.099 0.000 2.086 199 M HA -0.070 4.413 4.480 0.006 0.000 0.261 199 M C -0.333 176.026 176.300 0.097 0.000 1.067 199 M CA 1.540 56.848 55.300 0.014 0.000 1.116 199 M CB -2.604 29.983 32.600 -0.022 0.000 1.348 199 M HN 0.130 nan 8.290 nan 0.000 0.407 200 P HA -0.076 nan 4.420 nan 0.000 0.216 200 P C 1.567 178.983 177.300 0.194 0.000 1.153 200 P CA 1.455 64.638 63.100 0.137 0.000 0.848 200 P CB -0.219 31.531 31.700 0.083 0.000 0.787 201 T N -0.009 114.648 114.554 0.173 0.000 2.708 201 T HA -0.153 4.200 4.350 0.006 0.000 0.266 201 T C 1.732 176.534 174.700 0.169 0.000 1.037 201 T CA 0.984 63.192 62.100 0.180 0.000 1.146 201 T CB -1.014 68.014 68.868 0.267 0.000 0.865 201 T HN 0.058 nan 8.240 nan 0.000 0.435 202 L N 0.060 121.411 121.223 0.212 0.000 2.012 202 L HA -0.105 4.239 4.340 0.006 0.000 0.210 202 L C 2.274 179.252 176.870 0.180 0.000 1.073 202 L CA 1.664 56.605 54.840 0.169 0.000 0.748 202 L CB -0.381 41.794 42.059 0.195 0.000 0.891 202 L HN 0.216 nan 8.230 nan 0.000 0.431 203 F N 0.626 120.626 119.950 0.083 0.000 2.095 203 F HA -0.258 4.272 4.527 0.006 0.000 0.298 203 F C 2.127 177.970 175.800 0.072 0.000 1.104 203 F CA 1.865 59.915 58.000 0.083 0.000 1.232 203 F CB -0.301 38.737 39.000 0.064 0.000 0.987 203 F HN 0.017 nan 8.300 nan 0.000 0.475 204 I N -0.190 120.375 120.570 -0.008 0.000 2.226 204 I HA -0.325 3.849 4.170 0.006 0.000 0.245 204 I C 2.416 178.485 176.117 -0.080 0.000 1.100 204 I CA 1.247 62.482 61.300 -0.109 0.000 1.374 204 I CB -0.569 37.437 38.000 0.011 0.000 1.057 204 I HN 0.178 nan 8.210 nan 0.000 0.413 205 L N 0.450 121.657 121.223 -0.028 0.000 2.046 205 L HA -0.208 4.135 4.340 0.006 0.000 0.208 205 L C 2.860 179.731 176.870 0.002 0.000 1.077 205 L CA 1.376 56.213 54.840 -0.006 0.000 0.747 205 L CB -0.713 41.326 42.059 -0.033 0.000 0.896 205 L HN 0.248 nan 8.230 nan 0.000 0.432 206 A N -0.374 122.414 122.820 -0.055 0.000 1.877 206 A HA -0.148 4.175 4.320 0.006 0.000 0.216 206 A C 2.330 179.864 177.584 -0.083 0.000 1.186 206 A CA 1.750 53.766 52.037 -0.034 0.000 0.620 206 A CB -0.838 18.209 19.000 0.078 0.000 0.822 206 A HN 0.180 nan 8.150 nan 0.000 0.443 207 V N -1.156 118.626 119.914 -0.220 0.000 2.295 207 V HA -0.248 3.875 4.120 0.006 0.000 0.246 207 V C 2.294 178.296 176.094 -0.153 0.000 1.049 207 V CA 2.187 64.327 62.300 -0.268 0.000 1.024 207 V CB -0.952 30.599 31.823 -0.454 0.000 0.648 207 V HN 0.628 nan 8.190 nan 0.000 0.447 208 F N 0.284 120.113 119.950 -0.203 0.000 2.126 208 F HA -0.185 4.346 4.527 0.007 0.000 0.299 208 F C 2.033 177.743 175.800 -0.150 0.000 1.096 208 F CA 1.636 59.545 58.000 -0.151 0.000 1.255 208 F CB -0.286 38.646 39.000 -0.113 0.000 0.997 208 F HN 0.029 nan 8.300 nan 0.000 0.479 209 L N -0.902 120.223 121.223 -0.165 0.000 2.093 209 L HA -0.206 4.137 4.340 0.006 0.000 0.208 209 L C 2.370 179.072 176.870 -0.280 0.000 1.085 209 L CA 0.897 55.598 54.840 -0.232 0.000 0.755 209 L CB -0.743 41.302 42.059 -0.023 0.000 0.904 209 L HN -0.003 nan 8.230 nan 0.000 0.435 210 V N 0.183 119.930 119.914 -0.280 0.000 2.343 210 V HA -0.304 3.819 4.120 0.006 0.000 0.247 210 V C 2.309 178.014 176.094 -0.648 0.000 1.051 210 V CA 1.822 63.849 62.300 -0.454 0.000 1.036 210 V CB -0.316 31.205 31.823 -0.503 0.000 0.654 210 V HN 0.318 nan 8.190 nan 0.000 0.451 211 I N -0.707 119.557 120.570 -0.510 0.000 2.179 211 I HA -0.214 3.959 4.170 0.006 0.000 0.242 211 I C 2.805 178.740 176.117 -0.303 0.000 1.088 211 I CA 1.324 62.392 61.300 -0.387 0.000 1.357 211 I CB -0.440 37.381 38.000 -0.297 0.000 1.051 211 I HN 0.209 nan 8.210 nan 0.000 0.409 212 R N 0.412 120.639 120.500 -0.454 0.000 2.081 212 R HA -0.085 4.259 4.340 0.006 0.000 0.235 212 R C 2.287 178.486 176.300 -0.168 0.000 1.131 212 R CA 1.050 56.920 56.100 -0.384 0.000 0.960 212 R CB -0.973 28.968 30.300 -0.599 0.000 0.856 212 R HN 0.269 nan 8.270 nan 0.000 0.436 213 V N 0.715 120.561 119.914 -0.113 0.000 2.407 213 V HA -0.193 3.931 4.120 0.006 0.000 0.248 213 V C 1.978 178.219 176.094 0.245 0.000 1.055 213 V CA 1.307 63.652 62.300 0.074 0.000 1.049 213 V CB -0.588 31.292 31.823 0.096 0.000 0.662 213 V HN 0.066 nan 8.190 nan 0.000 0.455 214 F N -0.255 119.667 119.950 -0.046 0.000 2.494 214 F HA 0.005 4.537 4.527 0.009 0.000 0.298 214 F C 1.808 177.592 175.800 -0.027 0.000 1.106 214 F CA 0.649 58.634 58.000 -0.026 0.000 1.452 214 F CB -0.744 38.238 39.000 -0.030 0.000 1.085 214 F HN 0.149 nan 8.300 nan 0.000 0.569 215 L N -0.807 120.499 121.223 0.138 0.000 2.592 215 L HA 0.091 4.434 4.340 0.006 0.000 0.227 215 L C 0.543 177.444 176.870 0.052 0.000 1.127 215 L CA -0.010 54.867 54.840 0.061 0.000 0.884 215 L CB -0.167 41.901 42.059 0.014 0.000 1.065 215 L HN -0.137 nan 8.230 nan 0.000 0.457 216 L N 1.244 122.520 121.223 0.089 0.000 2.367 216 L HA 0.184 4.527 4.340 0.006 0.000 0.275 216 L C 0.086 176.977 176.870 0.034 0.000 1.129 216 L CA 0.388 55.297 54.840 0.115 0.000 0.839 216 L CB 0.706 42.906 42.059 0.235 0.000 1.133 216 L HN 0.122 nan 8.230 nan 0.000 0.453 217 E N 2.574 122.749 120.200 -0.041 0.000 2.311 217 E HA 0.473 4.827 4.350 0.006 0.000 0.281 217 E C -1.129 175.336 176.600 -0.225 0.000 0.905 217 E CA -0.578 55.756 56.400 -0.110 0.000 0.778 217 E CB 1.918 31.573 29.700 -0.076 0.000 1.240 217 E HN 0.625 nan 8.360 nan 0.000 0.410 218 T N 0.410 114.791 114.554 -0.288 0.000 2.804 218 T HA 0.504 4.857 4.350 0.006 0.000 0.290 218 T C -2.193 172.364 174.700 -0.238 0.000 1.099 218 T CA -1.642 60.234 62.100 -0.374 0.000 1.011 218 T CB 1.300 69.762 68.868 -0.676 0.000 1.291 218 T HN 0.203 nan 8.240 nan 0.000 0.523 219 P HA 0.091 nan 4.420 nan 0.000 0.225 219 P C 0.913 178.139 177.300 -0.122 0.000 1.148 219 P CA 0.597 63.613 63.100 -0.139 0.000 0.779 219 P CB 0.026 31.654 31.700 -0.120 0.000 0.780 220 N N -1.112 117.495 118.700 -0.154 0.000 2.373 220 N HA 0.152 4.895 4.740 0.006 0.000 0.181 220 N C 1.110 176.564 175.510 -0.093 0.000 1.082 220 N CA 0.922 53.907 53.050 -0.110 0.000 0.885 220 N CB 0.677 39.099 38.487 -0.108 0.000 0.977 220 N HN 0.147 nan 8.380 nan 0.000 0.462 221 G N -0.555 108.177 108.800 -0.114 0.000 2.343 221 G HA2 0.209 4.172 3.960 0.006 0.000 0.289 221 G HA3 0.209 4.172 3.960 0.006 0.000 0.289 221 G C -1.266 173.583 174.900 -0.085 0.000 1.295 221 G CA -0.258 44.793 45.100 -0.082 0.000 0.869 221 G HN 0.165 nan 8.290 nan 0.000 0.522 222 T N -2.954 111.566 114.554 -0.057 0.000 2.907 222 T HA 0.754 5.108 4.350 0.006 0.000 0.290 222 T C 1.531 176.211 174.700 -0.033 0.000 1.066 222 T CA 0.635 62.705 62.100 -0.050 0.000 1.012 222 T CB 1.567 70.397 68.868 -0.062 0.000 1.184 222 T HN 2.050 nan 8.240 nan 0.000 0.522 223 A N 0.592 123.393 122.820 -0.032 0.000 1.972 223 A HA 0.241 4.564 4.320 0.006 0.000 0.219 223 A C 2.555 180.070 177.584 -0.115 0.000 1.169 223 A CA 1.961 53.978 52.037 -0.033 0.000 0.635 223 A CB -1.540 17.454 19.000 -0.009 0.000 0.810 223 A HN 1.357 nan 8.150 nan 0.000 0.446 224 A N 0.307 123.027 122.820 -0.167 0.000 1.940 224 A HA -0.234 4.089 4.320 0.006 0.000 0.219 224 A C 1.721 179.274 177.584 -0.051 0.000 1.176 224 A CA 1.864 53.805 52.037 -0.161 0.000 0.631 224 A CB -0.585 18.332 19.000 -0.139 0.000 0.814 224 A HN 0.512 nan 8.150 nan 0.000 0.446 225 D N -0.434 119.951 120.400 -0.024 0.000 2.218 225 D HA -0.094 4.549 4.640 0.006 0.000 0.204 225 D C 1.997 178.341 176.300 0.073 0.000 0.976 225 D CA 1.365 55.376 54.000 0.019 0.000 0.853 225 D CB -0.521 40.278 40.800 -0.002 0.000 0.939 225 D HN 0.489 nan 8.370 nan 0.000 0.481 226 G N 0.867 109.706 108.800 0.066 0.000 2.394 226 G HA2 -0.147 3.816 3.960 0.006 0.000 0.215 226 G HA3 -0.147 3.816 3.960 0.006 0.000 0.215 226 G C 1.814 176.839 174.900 0.208 0.000 1.165 226 G CA 0.057 45.237 45.100 0.132 0.000 0.784 226 G HN 0.231 nan 8.290 nan 0.000 0.535 227 L N 0.661 121.981 121.223 0.163 0.000 2.093 227 L HA -0.048 4.295 4.340 0.006 0.000 0.208 227 L C 2.559 179.609 176.870 0.299 0.000 1.085 227 L CA 0.732 55.733 54.840 0.268 0.000 0.755 227 L CB -0.370 41.782 42.059 0.155 0.000 0.904 227 L HN 0.157 nan 8.230 nan 0.000 0.435 228 N N -0.069 118.741 118.700 0.183 0.000 2.270 228 N HA -0.176 4.568 4.740 0.006 0.000 0.181 228 N C 1.742 177.341 175.510 0.149 0.000 1.016 228 N CA 1.078 54.222 53.050 0.156 0.000 0.870 228 N CB -0.217 38.329 38.487 0.098 0.000 0.979 228 N HN 0.260 nan 8.380 nan 0.000 0.431 229 F N 1.668 121.633 119.950 0.025 0.000 2.186 229 F HA -0.041 4.487 4.527 0.002 0.000 0.299 229 F C 1.984 177.745 175.800 -0.064 0.000 1.090 229 F CA 0.642 58.629 58.000 -0.022 0.000 1.307 229 F CB -0.230 38.748 39.000 -0.037 0.000 1.019 229 F HN -0.078 nan 8.300 nan 0.000 0.489 230 L N -1.015 120.058 121.223 -0.251 0.000 2.131 230 L HA 0.010 4.353 4.340 0.006 0.000 0.206 230 L C 0.847 177.374 176.870 -0.571 0.000 1.087 230 L CA 1.590 56.114 54.840 -0.527 0.000 0.767 230 L CB -0.825 41.001 42.059 -0.389 0.000 0.917 230 L HN 0.209 nan 8.230 nan 0.000 0.441 231 W N -0.481 120.753 121.300 -0.110 0.000 3.194 231 W HA 0.351 5.012 4.660 0.003 0.000 0.408 231 W C 0.180 176.642 176.519 -0.096 0.000 1.072 231 W CA -0.345 56.952 57.345 -0.079 0.000 1.953 231 W CB -0.020 29.425 29.460 -0.026 0.000 1.091 231 W HN -0.172 nan 8.180 nan 0.000 0.699 232 T N 1.995 116.544 114.554 -0.009 0.000 2.801 232 T HA 0.263 4.617 4.350 0.006 0.000 0.306 232 T C -2.359 172.247 174.700 -0.155 0.000 1.020 232 T CA -1.550 60.526 62.100 -0.039 0.000 0.948 232 T CB 1.073 69.928 68.868 -0.022 0.000 0.962 232 T HN -0.433 nan 8.240 nan 0.000 0.465 233 P HA 0.113 nan 4.420 nan 0.000 0.267 233 P C -0.418 176.608 177.300 -0.456 0.000 1.200 233 P CA -0.058 62.787 63.100 -0.426 0.000 0.772 233 P CB 0.486 31.817 31.700 -0.614 0.000 0.855 234 D N 2.581 122.689 120.400 -0.485 0.000 2.363 234 D HA 0.122 4.765 4.640 0.006 0.000 0.258 234 D C 0.231 176.385 176.300 -0.244 0.000 1.259 234 D CA -0.357 53.475 54.000 -0.280 0.000 0.921 234 D CB 0.142 40.847 40.800 -0.157 0.000 1.201 234 D HN 0.064 nan 8.370 nan 0.000 0.524 235 F N 1.208 121.168 119.950 0.018 0.000 2.408 235 F HA -0.038 4.491 4.527 0.003 0.000 0.300 235 F C 2.128 177.958 175.800 0.049 0.000 1.090 235 F CA 0.746 58.769 58.000 0.038 0.000 1.427 235 F CB -0.096 38.931 39.000 0.045 0.000 1.070 235 F HN 0.347 nan 8.300 nan 0.000 0.549 236 E N -0.023 120.282 120.200 0.175 0.000 2.516 236 E HA -0.092 4.262 4.350 0.006 0.000 0.199 236 E C 1.531 178.192 176.600 0.102 0.000 1.069 236 E CA 0.326 56.804 56.400 0.130 0.000 0.876 236 E CB -0.034 29.722 29.700 0.094 0.000 0.843 236 E HN 0.307 nan 8.360 nan 0.000 0.530 237 K N 0.129 120.577 120.400 0.080 0.000 2.355 237 K HA 0.152 4.476 4.320 0.006 0.000 0.198 237 K C 1.658 178.320 176.600 0.104 0.000 1.039 237 K CA 0.007 56.328 56.287 0.058 0.000 1.075 237 K CB 0.490 32.983 32.500 -0.012 0.000 0.870 237 K HN 0.172 nan 8.250 nan 0.000 0.540 238 L N 0.898 122.224 121.223 0.173 0.000 2.549 238 L HA -0.072 4.272 4.340 0.006 0.000 0.229 238 L C 1.569 178.722 176.870 0.471 0.000 1.158 238 L CA 0.814 55.854 54.840 0.333 0.000 0.842 238 L CB -0.113 42.171 42.059 0.375 0.000 0.952 238 L HN -0.052 nan 8.230 nan 0.000 0.452 239 K N -0.852 119.721 120.400 0.288 0.000 2.367 239 K HA 0.088 4.412 4.320 0.006 0.000 0.194 239 K C 0.263 176.996 176.600 0.223 0.000 1.027 239 K CA 0.133 56.556 56.287 0.227 0.000 1.075 239 K CB 0.061 32.649 32.500 0.147 0.000 0.845 239 K HN 0.100 nan 8.250 nan 0.000 0.529 240 D N 2.026 122.572 120.400 0.244 0.000 2.339 240 D HA 0.091 4.734 4.640 0.006 0.000 0.241 240 D C -1.911 174.573 176.300 0.306 0.000 1.183 240 D CA -2.031 52.093 54.000 0.208 0.000 0.859 240 D CB 1.821 42.699 40.800 0.130 0.000 1.067 240 D HN -0.151 nan 8.370 nan 0.000 0.484 241 P HA -0.069 nan 4.420 nan 0.000 0.216 241 P C 1.341 178.739 177.300 0.164 0.000 1.150 241 P CA 0.950 64.207 63.100 0.263 0.000 0.837 241 P CB 0.225 32.064 31.700 0.231 0.000 0.786 242 G N -0.252 108.595 108.800 0.079 0.000 2.469 242 G HA2 -0.255 3.708 3.960 0.006 0.000 0.219 242 G HA3 -0.255 3.708 3.960 0.006 0.000 0.219 242 G C 1.588 176.420 174.900 -0.114 0.000 1.150 242 G CA 0.852 45.847 45.100 -0.175 0.000 0.763 242 G HN 0.175 nan 8.290 nan 0.000 0.561 243 V N -0.718 119.189 119.914 -0.013 0.000 2.427 243 V HA -0.125 3.998 4.120 0.006 0.000 0.248 243 V C 2.395 178.423 176.094 -0.109 0.000 1.051 243 V CA 1.536 63.806 62.300 -0.050 0.000 1.048 243 V CB -0.579 31.176 31.823 -0.114 0.000 0.666 243 V HN 0.568 nan 8.190 nan 0.000 0.456 244 W N -0.203 121.083 121.300 -0.023 0.000 2.388 244 W HA -0.020 4.644 4.660 0.006 0.000 0.294 244 W C 2.311 178.795 176.519 -0.059 0.000 1.212 244 W CA 0.893 58.230 57.345 -0.014 0.000 1.271 244 W CB -0.350 29.102 29.460 -0.014 0.000 1.126 244 W HN 0.143 nan 8.180 nan 0.000 0.535 245 I N -0.046 120.532 120.570 0.013 0.000 2.226 245 I HA -0.298 3.876 4.170 0.006 0.000 0.245 245 I C 2.547 178.562 176.117 -0.171 0.000 1.100 245 I CA 1.333 62.477 61.300 -0.259 0.000 1.374 245 I CB -0.962 36.604 38.000 -0.724 0.000 1.057 245 I HN -0.043 nan 8.210 nan 0.000 0.413 246 A N 0.871 123.642 122.820 -0.082 0.000 1.877 246 A HA -0.163 4.160 4.320 0.006 0.000 0.216 246 A C 2.561 180.351 177.584 0.344 0.000 1.186 246 A CA 1.905 53.998 52.037 0.094 0.000 0.620 246 A CB -0.848 18.227 19.000 0.125 0.000 0.822 246 A HN 0.422 nan 8.150 nan 0.000 0.443 247 A N -0.639 122.341 122.820 0.267 0.000 1.877 247 A HA -0.007 4.317 4.320 0.006 0.000 0.216 247 A C 2.238 179.974 177.584 0.254 0.000 1.186 247 A CA 1.848 53.937 52.037 0.087 0.000 0.620 247 A CB -0.969 17.803 19.000 -0.380 0.000 0.822 247 A HN 0.406 nan 8.150 nan 0.000 0.443 248 V N -0.062 120.025 119.914 0.288 0.000 2.358 248 V HA -0.159 3.965 4.120 0.006 0.000 0.246 248 V C 2.808 179.218 176.094 0.527 0.000 1.047 248 V CA 1.868 64.422 62.300 0.423 0.000 1.035 248 V CB -1.431 30.677 31.823 0.475 0.000 0.658 248 V HN 0.618 nan 8.190 nan 0.000 0.452 249 G N -0.720 108.336 108.800 0.426 0.000 2.418 249 G HA2 -0.359 3.605 3.960 0.006 0.000 0.217 249 G HA3 -0.359 3.605 3.960 0.006 0.000 0.217 249 G C 1.527 176.738 174.900 0.518 0.000 1.158 249 G CA 1.136 46.517 45.100 0.468 0.000 0.771 249 G HN 0.507 nan 8.290 nan 0.000 0.545 250 Q N 0.227 120.317 119.800 0.483 0.000 2.079 250 Q HA -0.032 4.311 4.340 0.006 0.000 0.200 250 Q C 2.441 178.766 176.000 0.541 0.000 0.974 250 Q CA 0.940 57.064 55.803 0.536 0.000 0.840 250 Q CB -0.334 28.800 28.738 0.660 0.000 0.898 250 Q HN 0.380 nan 8.270 nan 0.000 0.430 251 I N 0.021 120.852 120.570 0.435 0.000 2.163 251 I HA -0.247 3.926 4.170 0.006 0.000 0.243 251 I C 1.938 178.199 176.117 0.240 0.000 1.085 251 I CA 1.381 62.818 61.300 0.227 0.000 1.347 251 I CB -1.137 36.900 38.000 0.062 0.000 1.044 251 I HN 0.213 nan 8.210 nan 0.000 0.408 252 F N 0.235 120.368 119.950 0.305 0.000 2.075 252 F HA -0.257 4.273 4.527 0.005 0.000 0.297 252 F C 2.533 178.568 175.800 0.391 0.000 1.113 252 F CA 1.771 59.966 58.000 0.325 0.000 1.218 252 F CB -0.832 38.387 39.000 0.364 0.000 0.984 252 F HN -0.083 nan 8.300 nan 0.000 0.472 253 F N 0.151 120.440 119.950 0.566 0.000 2.095 253 F HA -0.261 4.270 4.527 0.006 0.000 0.298 253 F C 2.749 178.683 175.800 0.223 0.000 1.104 253 F CA 2.154 60.460 58.000 0.510 0.000 1.232 253 F CB -0.871 38.403 39.000 0.456 0.000 0.987 253 F HN -0.115 nan 8.300 nan 0.000 0.475 254 T N 0.010 114.828 114.554 0.441 0.000 2.881 254 T HA -0.104 4.249 4.350 0.006 0.000 0.270 254 T C 1.753 176.459 174.700 0.010 0.000 1.068 254 T CA 1.332 63.573 62.100 0.234 0.000 1.131 254 T CB -0.340 68.682 68.868 0.256 0.000 0.871 254 T HN 0.240 nan 8.240 nan 0.000 0.479 255 L N 0.420 121.638 121.223 -0.009 0.000 2.592 255 L HA 0.267 4.611 4.340 0.006 0.000 0.227 255 L C 1.079 177.815 176.870 -0.223 0.000 1.127 255 L CA 0.008 54.796 54.840 -0.086 0.000 0.884 255 L CB 0.041 42.073 42.059 -0.044 0.000 1.065 255 L HN 0.142 nan 8.230 nan 0.000 0.457 256 S N 0.405 115.836 115.700 -0.448 0.000 3.561 256 S HA -0.152 4.321 4.470 0.006 0.000 0.318 256 S C 0.323 174.706 174.600 -0.362 0.000 1.181 256 S CA 0.359 57.986 58.200 -0.955 0.000 0.916 256 S CB -1.705 61.018 63.200 -0.795 0.000 0.966 256 S HN 0.285 nan 8.310 nan 0.000 0.550 257 L N 0.555 121.813 121.223 0.058 0.000 2.349 257 L HA 0.541 4.884 4.340 0.006 0.000 0.275 257 L C 1.532 178.849 176.870 0.746 0.000 1.115 257 L CA 0.536 55.548 54.840 0.287 0.000 0.820 257 L CB 0.693 42.761 42.059 0.016 0.000 1.135 257 L HN 0.445 nan 8.230 nan 0.000 0.445 258 G N 1.988 111.164 108.800 0.627 0.000 2.159 258 G HA2 -0.316 3.647 3.960 0.006 0.000 0.256 258 G HA3 -0.316 3.647 3.960 0.006 0.000 0.256 258 G C 0.434 175.691 174.900 0.595 0.000 0.977 258 G CA 0.284 45.798 45.100 0.689 0.000 0.652 258 G HN 0.620 nan 8.290 nan 0.000 0.531 259 F N 0.158 120.238 119.950 0.217 0.000 2.746 259 F HA 0.365 4.895 4.527 0.005 0.000 0.297 259 F C 2.244 178.068 175.800 0.040 0.000 1.113 259 F CA 0.621 58.654 58.000 0.054 0.000 1.367 259 F CB 0.667 39.621 39.000 -0.075 0.000 1.111 259 F HN 0.602 nan 8.300 nan 0.000 0.590 260 G N 0.635 109.639 108.800 0.340 0.000 2.184 260 G HA2 -0.385 3.579 3.960 0.006 0.000 0.264 260 G HA3 -0.385 3.579 3.960 0.006 0.000 0.264 260 G C 1.176 176.134 174.900 0.097 0.000 0.975 260 G CA 0.476 45.713 45.100 0.229 0.000 0.642 260 G HN 0.494 nan 8.290 nan 0.000 0.536 261 A N 0.149 123.000 122.820 0.052 0.000 1.898 261 A HA 0.391 4.714 4.320 0.006 0.000 0.214 261 A C 2.313 179.772 177.584 -0.208 0.000 1.183 261 A CA 1.726 53.694 52.037 -0.115 0.000 0.622 261 A CB -0.236 18.617 19.000 -0.246 0.000 0.824 261 A HN 0.464 nan 8.150 nan 0.000 0.444 262 I N 0.297 120.756 120.570 -0.186 0.000 2.315 262 I HA -0.207 3.966 4.170 0.006 0.000 0.248 262 I C 2.375 178.376 176.117 -0.193 0.000 1.117 262 I CA 1.217 62.369 61.300 -0.247 0.000 1.404 262 I CB -1.093 36.802 38.000 -0.175 0.000 1.071 262 I HN 0.305 nan 8.210 nan 0.000 0.419 263 I N 0.507 121.033 120.570 -0.073 0.000 2.179 263 I HA -0.300 3.874 4.170 0.006 0.000 0.242 263 I C 2.465 178.559 176.117 -0.038 0.000 1.088 263 I CA 1.551 62.825 61.300 -0.043 0.000 1.357 263 I CB -0.563 37.449 38.000 0.019 0.000 1.051 263 I HN 0.194 nan 8.210 nan 0.000 0.409 264 T N -0.303 114.257 114.554 0.010 0.000 2.777 264 T HA -0.180 4.173 4.350 0.006 0.000 0.266 264 T C 1.820 176.610 174.700 0.151 0.000 1.040 264 T CA 1.285 63.409 62.100 0.041 0.000 1.141 264 T CB -0.311 68.635 68.868 0.130 0.000 0.868 264 T HN 0.176 nan 8.240 nan 0.000 0.444 265 Y N 1.510 121.842 120.300 0.053 0.000 2.181 265 Y HA 0.080 4.634 4.550 0.006 0.000 0.288 265 Y C 2.663 178.701 175.900 0.230 0.000 1.146 265 Y CA 0.088 58.365 58.100 0.294 0.000 1.164 265 Y CB -1.014 37.521 38.460 0.126 0.000 0.982 265 Y HN 0.204 nan 8.280 nan 0.000 0.515 266 A N -0.736 122.097 122.820 0.022 0.000 2.121 266 A HA -0.122 4.202 4.320 0.006 0.000 0.218 266 A C 2.339 179.928 177.584 0.009 0.000 1.154 266 A CA 1.457 53.441 52.037 -0.087 0.000 0.679 266 A CB -0.940 17.911 19.000 -0.248 0.000 0.795 266 A HN 0.445 nan 8.150 nan 0.000 0.458 267 S N -1.603 114.007 115.700 -0.151 0.000 2.547 267 S HA -0.080 4.393 4.470 0.006 0.000 0.235 267 S C 1.104 175.436 174.600 -0.447 0.000 0.980 267 S CA 0.818 58.825 58.200 -0.321 0.000 0.941 267 S CB -0.639 62.269 63.200 -0.486 0.000 0.763 267 S HN 0.569 nan 8.310 nan 0.000 0.532 268 Y N 0.907 121.224 120.300 0.029 0.000 2.458 268 Y HA 0.484 5.037 4.550 0.006 0.000 0.256 268 Y C 0.582 176.589 175.900 0.179 0.000 1.159 268 Y CA -0.973 57.041 58.100 -0.144 0.000 1.261 268 Y CB 0.017 38.098 38.460 -0.631 0.000 1.119 268 Y HN 0.088 nan 8.280 nan 0.000 0.524 269 V N 2.027 122.195 119.914 0.423 0.000 2.583 269 V HA 0.174 4.297 4.120 0.006 0.000 0.287 269 V C 0.603 176.900 176.094 0.338 0.000 1.051 269 V CA -1.085 61.486 62.300 0.453 0.000 1.010 269 V CB 0.840 32.881 31.823 0.364 0.000 0.988 269 V HN 0.209 nan 8.190 nan 0.000 0.478 270 R N 2.928 123.587 120.500 0.265 0.000 2.679 270 R HA 0.033 4.376 4.340 0.006 0.000 0.268 270 R C 1.583 177.947 176.300 0.107 0.000 1.044 270 R CA -0.119 56.041 56.100 0.099 0.000 1.105 270 R CB 0.411 30.681 30.300 -0.050 0.000 0.989 270 R HN 0.654 nan 8.270 nan 0.000 0.447 271 K N 2.017 122.462 120.400 0.075 0.000 2.127 271 K HA -0.246 4.077 4.320 0.006 0.000 0.208 271 K C 1.130 177.774 176.600 0.073 0.000 1.047 271 K CA 2.302 58.634 56.287 0.075 0.000 0.927 271 K CB 0.029 32.557 32.500 0.047 0.000 0.716 271 K HN 0.711 nan 8.250 nan 0.000 0.450 272 D N -0.360 120.070 120.400 0.048 0.000 2.305 272 D HA -0.127 4.517 4.640 0.006 0.000 0.206 272 D C 0.445 176.775 176.300 0.049 0.000 0.974 272 D CA 0.078 54.103 54.000 0.041 0.000 0.871 272 D CB -0.183 40.629 40.800 0.020 0.000 0.947 272 D HN 0.251 nan 8.370 nan 0.000 0.516 273 Q N 1.441 121.283 119.800 0.070 0.000 2.315 273 Q HA -0.007 4.337 4.340 0.006 0.000 0.289 273 Q C -0.490 175.564 176.000 0.090 0.000 1.044 273 Q CA -0.042 55.813 55.803 0.085 0.000 0.920 273 Q CB 0.697 29.512 28.738 0.128 0.000 1.214 273 Q HN 0.164 nan 8.270 nan 0.000 0.392 274 D N 2.261 122.694 120.400 0.056 0.000 2.423 274 D HA 0.007 4.650 4.640 0.006 0.000 0.238 274 D C 0.672 176.995 176.300 0.039 0.000 1.142 274 D CA 0.344 54.354 54.000 0.016 0.000 0.884 274 D CB 0.490 41.277 40.800 -0.023 0.000 1.199 274 D HN 0.566 nan 8.370 nan 0.000 0.438 275 I N -0.084 120.472 120.570 -0.023 0.000 4.655 275 I HA 0.107 4.281 4.170 0.006 0.000 0.333 275 I C 0.872 176.823 176.117 -0.276 0.000 1.312 275 I CA -0.498 60.752 61.300 -0.083 0.000 1.270 275 I CB 0.196 38.322 38.000 0.210 0.000 1.318 275 I HN 0.275 nan 8.210 nan 0.000 0.456 276 V N 1.747 121.517 119.914 -0.239 0.000 2.270 276 V HA -0.208 3.916 4.120 0.006 0.000 0.245 276 V C 2.476 178.544 176.094 -0.043 0.000 1.043 276 V CA 2.215 64.325 62.300 -0.316 0.000 1.014 276 V CB -0.418 31.123 31.823 -0.470 0.000 0.645 276 V HN 0.470 nan 8.190 nan 0.000 0.447 277 L N -0.156 121.001 121.223 -0.110 0.000 2.072 277 L HA -0.038 4.305 4.340 0.006 0.000 0.205 277 L C 2.481 179.265 176.870 -0.143 0.000 1.079 277 L CA 1.900 56.699 54.840 -0.070 0.000 0.752 277 L CB -0.616 41.405 42.059 -0.063 0.000 0.906 277 L HN 0.248 nan 8.230 nan 0.000 0.436 278 S N -0.107 115.446 115.700 -0.246 0.000 2.356 278 S HA -0.115 4.359 4.470 0.006 0.000 0.223 278 S C 1.896 176.103 174.600 -0.656 0.000 1.032 278 S CA 1.173 59.168 58.200 -0.341 0.000 1.005 278 S CB -1.020 62.012 63.200 -0.279 0.000 0.867 278 S HN 0.684 nan 8.310 nan 0.000 0.449 279 G N 1.666 109.760 108.800 -1.176 0.000 2.421 279 G HA2 -0.172 3.791 3.960 0.006 0.000 0.216 279 G HA3 -0.172 3.791 3.960 0.006 0.000 0.216 279 G C 1.407 175.971 174.900 -0.560 0.000 1.171 279 G CA 0.961 45.248 45.100 -1.356 0.000 0.775 279 G HN 0.429 nan 8.290 nan 0.000 0.543 280 L N 0.976 122.002 121.223 -0.329 0.000 2.083 280 L HA 0.011 4.354 4.340 0.006 0.000 0.209 280 L C 2.811 179.598 176.870 -0.139 0.000 1.083 280 L CA 2.561 57.253 54.840 -0.247 0.000 0.752 280 L CB -0.885 41.172 42.059 -0.004 0.000 0.899 280 L HN 0.175 nan 8.230 nan 0.000 0.433 281 T N -0.150 114.334 114.554 -0.116 0.000 2.777 281 T HA -0.094 4.259 4.350 0.006 0.000 0.266 281 T C 1.935 176.606 174.700 -0.048 0.000 1.040 281 T CA 1.257 63.317 62.100 -0.066 0.000 1.141 281 T CB -0.527 68.304 68.868 -0.061 0.000 0.868 281 T HN 0.524 nan 8.240 nan 0.000 0.444 282 A N 1.603 124.401 122.820 -0.036 0.000 1.877 282 A HA 0.111 4.434 4.320 0.006 0.000 0.216 282 A C 2.655 180.244 177.584 0.008 0.000 1.186 282 A CA 1.928 53.984 52.037 0.031 0.000 0.620 282 A CB -1.180 17.931 19.000 0.185 0.000 0.822 282 A HN 0.505 nan 8.150 nan 0.000 0.443 283 A N -1.082 121.729 122.820 -0.016 0.000 1.877 283 A HA -0.096 4.227 4.320 0.006 0.000 0.216 283 A C 2.313 179.927 177.584 0.051 0.000 1.186 283 A CA 2.343 54.395 52.037 0.026 0.000 0.620 283 A CB -1.303 17.681 19.000 -0.027 0.000 0.822 283 A HN 0.437 nan 8.150 nan 0.000 0.443 284 T N 0.439 115.016 114.554 0.038 0.000 2.821 284 T HA -0.051 4.303 4.350 0.006 0.000 0.267 284 T C 1.797 176.468 174.700 -0.049 0.000 1.046 284 T CA 1.312 63.418 62.100 0.009 0.000 1.139 284 T CB -0.356 68.525 68.868 0.022 0.000 0.871 284 T HN 0.352 nan 8.240 nan 0.000 0.454 285 L N 1.128 122.327 121.223 -0.040 0.000 2.046 285 L HA -0.143 4.201 4.340 0.006 0.000 0.208 285 L C 2.615 179.454 176.870 -0.052 0.000 1.077 285 L CA 1.368 56.180 54.840 -0.047 0.000 0.747 285 L CB -0.561 41.471 42.059 -0.044 0.000 0.896 285 L HN 0.300 nan 8.230 nan 0.000 0.432 286 N N -0.220 118.445 118.700 -0.058 0.000 2.084 286 N HA -0.212 4.531 4.740 0.006 0.000 0.190 286 N C 1.801 177.228 175.510 -0.139 0.000 1.030 286 N CA 1.191 54.193 53.050 -0.079 0.000 0.849 286 N CB 0.102 38.550 38.487 -0.065 0.000 1.012 286 N HN 0.128 nan 8.380 nan 0.000 0.423 287 E N 0.663 120.743 120.200 -0.201 0.000 2.110 287 E HA -0.159 4.194 4.350 0.006 0.000 0.193 287 E C 1.784 178.271 176.600 -0.187 0.000 0.988 287 E CA 0.950 57.175 56.400 -0.292 0.000 0.804 287 E CB -0.154 29.202 29.700 -0.572 0.000 0.745 287 E HN 0.527 nan 8.360 nan 0.000 0.458 288 K N 0.508 120.840 120.400 -0.114 0.000 2.025 288 K HA -0.022 4.302 4.320 0.006 0.000 0.207 288 K C 2.189 178.775 176.600 -0.023 0.000 1.049 288 K CA 1.154 57.418 56.287 -0.039 0.000 0.933 288 K CB -0.167 32.331 32.500 -0.003 0.000 0.714 288 K HN 0.052 nan 8.250 nan 0.000 0.438 289 A N 1.391 124.193 122.820 -0.030 0.000 1.972 289 A HA -0.241 4.083 4.320 0.006 0.000 0.219 289 A C 2.049 179.507 177.584 -0.211 0.000 1.169 289 A CA 1.810 53.834 52.037 -0.022 0.000 0.635 289 A CB -0.375 18.629 19.000 0.007 0.000 0.810 289 A HN 0.414 nan 8.150 nan 0.000 0.446 290 E N -0.203 119.821 120.200 -0.293 0.000 2.014 290 E HA -0.108 4.246 4.350 0.006 0.000 0.190 290 E C 2.004 178.249 176.600 -0.592 0.000 0.980 290 E CA 1.708 57.805 56.400 -0.504 0.000 0.807 290 E CB -0.167 29.218 29.700 -0.525 0.000 0.770 290 E HN 0.457 nan 8.360 nan 0.000 0.451 291 V N -0.754 118.891 119.914 -0.448 0.000 2.488 291 V HA -0.074 4.049 4.120 0.006 0.000 0.246 291 V C 2.150 178.349 176.094 0.174 0.000 1.046 291 V CA 1.328 63.502 62.300 -0.211 0.000 1.053 291 V CB -0.508 31.345 31.823 0.049 0.000 0.679 291 V HN 0.271 nan 8.190 nan 0.000 0.458 292 I N -0.443 120.200 120.570 0.122 0.000 2.494 292 I HA 0.000 4.174 4.170 0.006 0.000 0.250 292 I C 2.443 178.651 176.117 0.152 0.000 1.112 292 I CA 1.230 62.632 61.300 0.170 0.000 1.438 292 I CB -0.121 37.945 38.000 0.111 0.000 1.111 292 I HN 0.248 nan 8.210 nan 0.000 0.431 293 L N 0.104 121.396 121.223 0.115 0.000 2.185 293 L HA 0.153 4.496 4.340 0.006 0.000 0.198 293 L C 2.710 179.724 176.870 0.241 0.000 1.079 293 L CA 1.194 56.143 54.840 0.182 0.000 0.780 293 L CB -1.252 40.970 42.059 0.272 0.000 0.955 293 L HN 0.204 nan 8.230 nan 0.000 0.462 294 G N 0.077 108.914 108.800 0.062 0.000 2.440 294 G HA2 -0.204 3.759 3.960 0.006 0.000 0.218 294 G HA3 -0.204 3.759 3.960 0.006 0.000 0.218 294 G C 1.545 176.595 174.900 0.250 0.000 1.154 294 G CA 0.820 45.968 45.100 0.081 0.000 0.767 294 G HN 0.487 nan 8.290 nan 0.000 0.552 295 G N -0.031 108.914 108.800 0.240 0.000 2.484 295 G HA2 0.024 3.987 3.960 0.006 0.000 0.218 295 G HA3 0.024 3.987 3.960 0.006 0.000 0.218 295 G C 1.755 176.835 174.900 0.301 0.000 1.130 295 G CA 1.139 46.459 45.100 0.366 0.000 0.784 295 G HN 0.418 nan 8.290 nan 0.000 0.543 296 S N -0.231 115.643 115.700 0.290 0.000 2.575 296 S HA 0.304 4.778 4.470 0.006 0.000 0.215 296 S C 1.692 176.431 174.600 0.231 0.000 0.966 296 S CA -0.251 58.141 58.200 0.320 0.000 0.911 296 S CB 0.173 63.558 63.200 0.308 0.000 0.780 296 S HN 0.360 nan 8.310 nan 0.000 0.514 297 I N 0.345 121.013 120.570 0.163 0.000 3.325 297 I HA -0.008 4.166 4.170 0.006 0.000 0.237 297 I C 2.161 178.239 176.117 -0.063 0.000 1.068 297 I CA 0.421 61.747 61.300 0.045 0.000 1.511 297 I CB -0.527 37.500 38.000 0.045 0.000 1.409 297 I HN 0.121 nan 8.210 nan 0.000 0.464 298 S N 1.510 117.150 115.700 -0.101 0.000 2.353 298 S HA -0.116 4.357 4.470 0.006 0.000 0.222 298 S C 2.024 176.573 174.600 -0.085 0.000 1.035 298 S CA 1.212 59.303 58.200 -0.181 0.000 1.025 298 S CB -0.265 62.875 63.200 -0.099 0.000 0.902 298 S HN 0.222 nan 8.310 nan 0.000 0.440 299 I N 2.193 122.763 120.570 -0.001 0.000 2.142 299 I HA -0.079 4.095 4.170 0.006 0.000 0.240 299 I C -0.807 175.337 176.117 0.045 0.000 1.078 299 I CA 1.222 62.535 61.300 0.023 0.000 1.343 299 I CB -2.739 35.306 38.000 0.075 0.000 1.046 299 I HN 0.180 nan 8.210 nan 0.000 0.405 300 P HA -0.081 nan 4.420 nan 0.000 0.217 300 P C 1.681 179.026 177.300 0.075 0.000 1.150 300 P CA 1.825 64.988 63.100 0.105 0.000 0.832 300 P CB 0.027 31.843 31.700 0.192 0.000 0.787 301 A N 0.043 122.882 122.820 0.032 0.000 1.873 301 A HA -0.085 4.238 4.320 0.006 0.000 0.215 301 A C 2.316 179.895 177.584 -0.008 0.000 1.186 301 A CA 2.048 54.077 52.037 -0.013 0.000 0.616 301 A CB -1.607 17.296 19.000 -0.163 0.000 0.823 301 A HN 0.181 nan 8.150 nan 0.000 0.442 302 A N -0.573 122.240 122.820 -0.012 0.000 1.877 302 A HA 0.005 4.328 4.320 0.006 0.000 0.216 302 A C 2.239 179.919 177.584 0.160 0.000 1.186 302 A CA 1.816 53.920 52.037 0.111 0.000 0.620 302 A CB -0.966 18.063 19.000 0.048 0.000 0.822 302 A HN 0.386 nan 8.150 nan 0.000 0.443 303 V N -0.062 119.884 119.914 0.054 0.000 2.295 303 V HA -0.244 3.880 4.120 0.006 0.000 0.246 303 V C 3.073 179.186 176.094 0.032 0.000 1.049 303 V CA 1.888 64.196 62.300 0.013 0.000 1.024 303 V CB -1.313 30.485 31.823 -0.043 0.000 0.648 303 V HN 0.620 nan 8.190 nan 0.000 0.447 304 A N -0.518 122.336 122.820 0.056 0.000 1.917 304 A HA -0.237 4.086 4.320 0.006 0.000 0.219 304 A C 2.034 179.606 177.584 -0.020 0.000 1.182 304 A CA 2.192 54.254 52.037 0.040 0.000 0.633 304 A CB -0.688 18.381 19.000 0.114 0.000 0.819 304 A HN 0.482 nan 8.150 nan 0.000 0.448 305 F N -2.469 117.334 119.950 -0.245 0.000 2.335 305 F HA 0.160 4.691 4.527 0.007 0.000 0.296 305 F C 1.557 176.992 175.800 -0.608 0.000 1.091 305 F CA 0.855 58.563 58.000 -0.487 0.000 1.399 305 F CB -0.067 38.480 39.000 -0.755 0.000 1.067 305 F HN 0.216 nan 8.300 nan 0.000 0.520 306 F N -0.735 119.271 119.950 0.093 0.000 2.727 306 F HA 0.490 5.020 4.527 0.004 0.000 0.302 306 F C 1.192 176.967 175.800 -0.040 0.000 1.107 306 F CA 0.277 58.285 58.000 0.013 0.000 1.277 306 F CB -0.237 38.759 39.000 -0.006 0.000 1.079 306 F HN -0.073 nan 8.300 nan 0.000 0.594 307 G N 0.350 109.202 108.800 0.087 0.000 2.699 307 G HA2 -0.145 3.818 3.960 0.006 0.000 0.686 307 G HA3 -0.145 3.818 3.960 0.006 0.000 0.686 307 G C 0.432 175.296 174.900 -0.059 0.000 1.301 307 G CA -0.618 44.482 45.100 -0.000 0.000 0.816 307 G HN -0.066 nan 8.290 nan 0.000 0.595 308 V N 1.350 121.178 119.914 -0.145 0.000 2.233 308 V HA -0.088 4.035 4.120 0.006 0.000 0.247 308 V C 3.490 179.416 176.094 -0.282 0.000 1.050 308 V CA 3.574 65.681 62.300 -0.322 0.000 1.010 308 V CB -1.476 30.127 31.823 -0.367 0.000 0.637 308 V HN 1.948 nan 8.190 nan 0.000 0.444 309 A N 0.579 123.300 122.820 -0.165 0.000 1.884 309 A HA -0.307 4.016 4.320 0.006 0.000 0.219 309 A C 2.079 179.593 177.584 -0.117 0.000 1.197 309 A CA 2.458 54.422 52.037 -0.122 0.000 0.637 309 A CB -0.817 18.142 19.000 -0.068 0.000 0.827 309 A HN 0.634 nan 8.150 nan 0.000 0.450 310 N N -0.005 118.644 118.700 -0.085 0.000 2.188 310 N HA -0.064 4.680 4.740 0.006 0.000 0.184 310 N C 1.942 177.360 175.510 -0.153 0.000 1.018 310 N CA 1.364 54.355 53.050 -0.099 0.000 0.858 310 N CB -0.505 37.964 38.487 -0.030 0.000 0.989 310 N HN 0.501 nan 8.380 nan 0.000 0.426 311 A N 1.041 123.785 122.820 -0.126 0.000 1.877 311 A HA -0.087 4.236 4.320 0.006 0.000 0.216 311 A C 2.535 180.006 177.584 -0.188 0.000 1.186 311 A CA 1.306 53.256 52.037 -0.146 0.000 0.620 311 A CB -0.815 18.090 19.000 -0.158 0.000 0.822 311 A HN 0.092 nan 8.150 nan 0.000 0.443 312 V N -0.089 119.689 119.914 -0.227 0.000 2.343 312 V HA -0.257 3.866 4.120 0.006 0.000 0.247 312 V C 3.054 179.067 176.094 -0.134 0.000 1.051 312 V CA 1.941 64.134 62.300 -0.179 0.000 1.036 312 V CB -1.280 30.444 31.823 -0.165 0.000 0.654 312 V HN 0.626 nan 8.190 nan 0.000 0.451 313 A N -0.054 122.686 122.820 -0.132 0.000 1.902 313 A HA -0.190 4.134 4.320 0.006 0.000 0.217 313 A C 2.186 179.696 177.584 -0.123 0.000 1.181 313 A CA 1.978 53.947 52.037 -0.114 0.000 0.623 313 A CB -0.557 18.376 19.000 -0.111 0.000 0.818 313 A HN 0.515 nan 8.150 nan 0.000 0.443 314 I N -0.322 120.153 120.570 -0.160 0.000 2.226 314 I HA -0.288 3.886 4.170 0.006 0.000 0.245 314 I C 2.953 179.002 176.117 -0.113 0.000 1.100 314 I CA 1.044 62.248 61.300 -0.160 0.000 1.374 314 I CB -0.353 37.511 38.000 -0.227 0.000 1.057 314 I HN 0.372 nan 8.210 nan 0.000 0.413 315 A N 0.822 123.571 122.820 -0.119 0.000 1.933 315 A HA -0.208 4.116 4.320 0.006 0.000 0.218 315 A C 2.278 179.797 177.584 -0.109 0.000 1.175 315 A CA 1.546 53.516 52.037 -0.113 0.000 0.628 315 A CB -0.392 18.529 19.000 -0.132 0.000 0.814 315 A HN 0.341 nan 8.150 nan 0.000 0.444 316 K N -0.283 120.056 120.400 -0.102 0.000 2.288 316 K HA 0.093 4.417 4.320 0.006 0.000 0.201 316 K C 2.177 178.736 176.600 -0.069 0.000 1.048 316 K CA 0.701 56.935 56.287 -0.089 0.000 0.956 316 K CB -0.248 32.205 32.500 -0.079 0.000 0.746 316 K HN 0.435 nan 8.250 nan 0.000 0.461 317 A N 1.575 124.359 122.820 -0.060 0.000 1.948 317 A HA -0.042 4.281 4.320 0.006 0.000 0.220 317 A C 1.152 178.731 177.584 -0.009 0.000 1.177 317 A CA 1.811 53.830 52.037 -0.031 0.000 0.636 317 A CB -0.281 18.701 19.000 -0.030 0.000 0.815 317 A HN 0.420 nan 8.150 nan 0.000 0.449 318 G N -4.797 103.990 108.800 -0.022 0.000 2.495 318 G HA2 0.533 4.497 3.960 0.006 0.000 0.294 318 G HA3 0.533 4.497 3.960 0.006 0.000 0.294 318 G C 0.249 175.091 174.900 -0.096 0.000 1.397 318 G CA -0.023 45.064 45.100 -0.022 0.000 0.790 318 G HN 0.784 nan 8.290 nan 0.000 0.486 319 A N -1.149 121.535 122.820 -0.228 0.000 2.095 319 A HA 0.506 4.829 4.320 0.006 0.000 0.212 319 A C 1.298 178.631 177.584 -0.419 0.000 1.162 319 A CA 1.010 52.792 52.037 -0.425 0.000 0.753 319 A CB -0.206 18.378 19.000 -0.695 0.000 0.840 319 A HN 0.505 nan 8.150 nan 0.000 0.468 320 F N -0.747 119.312 119.950 0.182 0.000 2.704 320 F HA 0.203 4.733 4.527 0.006 0.000 0.304 320 F C 1.869 177.867 175.800 0.330 0.000 1.094 320 F CA -0.562 57.639 58.000 0.335 0.000 1.275 320 F CB -0.275 38.903 39.000 0.297 0.000 1.073 320 F HN 0.143 nan 8.300 nan 0.000 0.586 321 N N 1.051 119.941 118.700 0.316 0.000 2.061 321 N HA -0.187 4.556 4.740 0.006 0.000 0.193 321 N C 2.006 177.621 175.510 0.175 0.000 1.030 321 N CA 1.390 54.577 53.050 0.227 0.000 0.856 321 N CB -0.286 38.264 38.487 0.106 0.000 1.023 321 N HN 0.248 nan 8.380 nan 0.000 0.424 322 L N 0.683 121.973 121.223 0.112 0.000 2.027 322 L HA 0.013 4.356 4.340 0.006 0.000 0.206 322 L C 2.143 179.043 176.870 0.049 0.000 1.074 322 L CA 2.022 56.882 54.840 0.034 0.000 0.745 322 L CB -1.077 40.977 42.059 -0.008 0.000 0.898 322 L HN 0.154 nan 8.230 nan 0.000 0.433 323 G N -2.316 106.599 108.800 0.192 0.000 2.494 323 G HA2 -0.157 3.806 3.960 0.006 0.000 0.216 323 G HA3 -0.157 3.806 3.960 0.006 0.000 0.216 323 G C 1.136 176.143 174.900 0.178 0.000 1.140 323 G CA 0.426 45.661 45.100 0.226 0.000 0.801 323 G HN 0.414 nan 8.290 nan 0.000 0.536 324 F N -0.608 119.566 119.950 0.374 0.000 2.717 324 F HA 0.466 4.996 4.527 0.006 0.000 0.297 324 F C 1.940 178.009 175.800 0.448 0.000 1.113 324 F CA -0.027 58.217 58.000 0.406 0.000 1.319 324 F CB 0.494 39.590 39.000 0.160 0.000 1.097 324 F HN 0.043 nan 8.300 nan 0.000 0.595 325 I N -1.981 118.854 120.570 0.442 0.000 3.518 325 I HA -0.060 4.114 4.170 0.006 0.000 0.260 325 I C 2.009 178.178 176.117 0.087 0.000 1.148 325 I CA 0.547 62.052 61.300 0.342 0.000 1.440 325 I CB -0.421 37.751 38.000 0.286 0.000 1.485 325 I HN -0.201 nan 8.210 nan 0.000 0.456 326 T N 2.004 116.563 114.554 0.008 0.000 2.674 326 T HA -0.157 4.196 4.350 0.006 0.000 0.265 326 T C 1.855 176.371 174.700 -0.307 0.000 1.039 326 T CA 1.507 63.542 62.100 -0.108 0.000 1.150 326 T CB -0.308 68.507 68.868 -0.087 0.000 0.864 326 T HN 0.073 nan 8.240 nan 0.000 0.427 327 L N 2.678 123.635 121.223 -0.443 0.000 2.012 327 L HA -0.018 4.326 4.340 0.006 0.000 0.210 327 L C -0.702 175.540 176.870 -1.047 0.000 1.073 327 L CA 1.946 56.245 54.840 -0.901 0.000 0.748 327 L CB -1.271 40.051 42.059 -1.228 0.000 0.891 327 L HN 0.156 nan 8.230 nan 0.000 0.431 328 P HA -0.148 nan 4.420 nan 0.000 0.218 328 P C 1.391 178.244 177.300 -0.745 0.000 1.149 328 P CA 1.929 64.773 63.100 -0.426 0.000 0.817 328 P CB -0.135 31.635 31.700 0.116 0.000 0.785 329 A N 0.231 122.420 122.820 -1.053 0.000 1.902 329 A HA -0.148 4.176 4.320 0.006 0.000 0.217 329 A C 2.389 179.656 177.584 -0.527 0.000 1.181 329 A CA 1.361 52.731 52.037 -1.112 0.000 0.623 329 A CB -1.559 17.113 19.000 -0.546 0.000 0.818 329 A HN 0.102 nan 8.150 nan 0.000 0.443 330 I N -1.355 118.883 120.570 -0.553 0.000 2.179 330 I HA -0.234 3.939 4.170 0.006 0.000 0.242 330 I C 2.206 178.066 176.117 -0.428 0.000 1.088 330 I CA 1.188 62.050 61.300 -0.730 0.000 1.357 330 I CB -0.395 37.045 38.000 -0.933 0.000 1.051 330 I HN 0.251 nan 8.210 nan 0.000 0.409 331 F N 1.309 121.007 119.950 -0.420 0.000 2.161 331 F HA -0.218 4.312 4.527 0.005 0.000 0.300 331 F C 3.019 178.762 175.800 -0.096 0.000 1.089 331 F CA 1.384 59.243 58.000 -0.234 0.000 1.282 331 F CB -1.604 37.294 39.000 -0.171 0.000 1.010 331 F HN 0.199 nan 8.300 nan 0.000 0.485 332 S N -0.579 115.186 115.700 0.107 0.000 2.469 332 S HA -0.172 4.301 4.470 0.006 0.000 0.238 332 S C 1.462 176.142 174.600 0.134 0.000 0.998 332 S CA 0.804 59.104 58.200 0.167 0.000 0.957 332 S CB -0.391 62.966 63.200 0.262 0.000 0.764 332 S HN 0.368 nan 8.310 nan 0.000 0.514 333 Q N 1.716 121.572 119.800 0.093 0.000 2.403 333 Q HA 0.185 4.528 4.340 0.006 0.000 0.203 333 Q C 0.605 176.692 176.000 0.144 0.000 0.932 333 Q CA 0.551 56.436 55.803 0.137 0.000 0.945 333 Q CB 0.263 29.133 28.738 0.220 0.000 1.045 333 Q HN 0.871 nan 8.270 nan 0.000 0.511 334 T N -3.321 111.303 114.554 0.116 0.000 2.908 334 T HA 0.742 5.095 4.350 0.006 0.000 0.290 334 T C -0.183 174.557 174.700 0.068 0.000 1.034 334 T CA -0.829 61.325 62.100 0.090 0.000 1.010 334 T CB 2.143 71.050 68.868 0.065 0.000 1.068 334 T HN 0.080 nan 8.240 nan 0.000 0.481 335 A N 0.764 123.614 122.820 0.050 0.000 2.520 335 A HA 0.541 4.865 4.320 0.006 0.000 0.245 335 A C 1.644 179.257 177.584 0.049 0.000 1.072 335 A CA 0.325 52.389 52.037 0.045 0.000 0.761 335 A CB -1.353 17.665 19.000 0.029 0.000 1.004 335 A HN 2.451 nan 8.150 nan 0.000 0.499 336 G N 1.572 110.414 108.800 0.070 0.000 2.148 336 G HA2 -0.150 3.814 3.960 0.006 0.000 0.254 336 G HA3 -0.150 3.814 3.960 0.006 0.000 0.254 336 G C 1.250 176.241 174.900 0.151 0.000 0.981 336 G CA 0.944 46.108 45.100 0.106 0.000 0.670 336 G HN 1.881 nan 8.290 nan 0.000 0.528 337 G N -0.509 108.365 108.800 0.123 0.000 2.450 337 G HA2 -0.021 3.942 3.960 0.006 0.000 0.220 337 G HA3 -0.021 3.942 3.960 0.006 0.000 0.220 337 G C 1.610 176.679 174.900 0.281 0.000 1.130 337 G CA 2.244 47.428 45.100 0.141 0.000 0.760 337 G HN 0.622 nan 8.290 nan 0.000 0.557 338 T N 0.368 115.110 114.554 0.314 0.000 2.857 338 T HA -0.056 4.297 4.350 0.006 0.000 0.266 338 T C 1.893 176.911 174.700 0.530 0.000 1.048 338 T CA 0.815 63.173 62.100 0.431 0.000 1.139 338 T CB -0.226 68.795 68.868 0.255 0.000 0.874 338 T HN 0.245 nan 8.240 nan 0.000 0.455 339 F N 1.322 121.436 119.950 0.274 0.000 2.234 339 F HA 0.088 4.618 4.527 0.005 0.000 0.299 339 F C 1.853 177.844 175.800 0.319 0.000 1.087 339 F CA 0.406 58.589 58.000 0.305 0.000 1.340 339 F CB -0.322 38.785 39.000 0.178 0.000 1.031 339 F HN 0.010 nan 8.300 nan 0.000 0.500 340 L N 0.339 121.702 121.223 0.234 0.000 2.083 340 L HA 0.030 4.373 4.340 0.006 0.000 0.209 340 L C 2.459 179.363 176.870 0.056 0.000 1.083 340 L CA 2.041 56.854 54.840 -0.046 0.000 0.752 340 L CB -1.442 40.324 42.059 -0.489 0.000 0.899 340 L HN 0.183 nan 8.230 nan 0.000 0.433 341 G N -1.154 107.834 108.800 0.313 0.000 2.418 341 G HA2 -0.350 3.614 3.960 0.006 0.000 0.217 341 G HA3 -0.350 3.614 3.960 0.006 0.000 0.217 341 G C 1.548 176.546 174.900 0.164 0.000 1.158 341 G CA 0.797 46.071 45.100 0.291 0.000 0.771 341 G HN 0.478 nan 8.290 nan 0.000 0.545 342 F N 1.467 121.523 119.950 0.176 0.000 2.134 342 F HA 0.012 4.542 4.527 0.006 0.000 0.299 342 F C 2.309 178.104 175.800 -0.008 0.000 1.097 342 F CA 1.169 59.243 58.000 0.124 0.000 1.264 342 F CB -0.343 38.626 39.000 -0.051 0.000 1.001 342 F HN 0.058 nan 8.300 nan 0.000 0.479 343 L N -0.563 120.333 121.223 -0.545 0.000 2.083 343 L HA -0.235 4.108 4.340 0.006 0.000 0.209 343 L C 2.607 179.326 176.870 -0.251 0.000 1.083 343 L CA 1.514 56.017 54.840 -0.561 0.000 0.752 343 L CB -1.044 40.849 42.059 -0.276 0.000 0.899 343 L HN 0.545 nan 8.230 nan 0.000 0.433 344 W N 0.867 121.952 121.300 -0.359 0.000 2.354 344 W HA -0.256 4.408 4.660 0.007 0.000 0.315 344 W C 2.114 178.314 176.519 -0.531 0.000 1.206 344 W CA 1.205 58.283 57.345 -0.445 0.000 1.290 344 W CB -0.289 28.860 29.460 -0.518 0.000 1.152 344 W HN 0.054 nan 8.180 nan 0.000 0.489 345 F N -0.164 119.598 119.950 -0.314 0.000 2.234 345 F HA -0.109 4.422 4.527 0.006 0.000 0.299 345 F C 2.240 177.884 175.800 -0.260 0.000 1.087 345 F CA 1.246 59.009 58.000 -0.394 0.000 1.340 345 F CB -1.580 37.336 39.000 -0.140 0.000 1.031 345 F HN -0.160 nan 8.300 nan 0.000 0.500 346 F N 0.141 119.903 119.950 -0.313 0.000 2.186 346 F HA -0.142 4.388 4.527 0.005 0.000 0.299 346 F C 2.206 177.850 175.800 -0.261 0.000 1.090 346 F CA 0.925 58.734 58.000 -0.319 0.000 1.307 346 F CB -0.427 38.132 39.000 -0.735 0.000 1.019 346 F HN -0.041 nan 8.300 nan 0.000 0.489 347 L N 0.421 121.487 121.223 -0.262 0.000 1.994 347 L HA -0.192 4.151 4.340 0.006 0.000 0.208 347 L C 2.068 178.689 176.870 -0.415 0.000 1.071 347 L CA 1.894 56.525 54.840 -0.348 0.000 0.745 347 L CB -1.039 40.759 42.059 -0.436 0.000 0.892 347 L HN 0.212 nan 8.230 nan 0.000 0.431 348 L N -1.479 119.413 121.223 -0.553 0.000 2.042 348 L HA -0.238 4.106 4.340 0.006 0.000 0.210 348 L C 2.516 179.309 176.870 -0.127 0.000 1.076 348 L CA 1.571 56.148 54.840 -0.438 0.000 0.749 348 L CB -0.803 40.894 42.059 -0.603 0.000 0.893 348 L HN 0.346 nan 8.230 nan 0.000 0.432 349 F N 0.321 120.149 119.950 -0.204 0.000 2.102 349 F HA -0.259 4.271 4.527 0.005 0.000 0.298 349 F C 2.261 178.098 175.800 0.061 0.000 1.105 349 F CA 1.438 59.393 58.000 -0.075 0.000 1.239 349 F CB -0.420 38.513 39.000 -0.112 0.000 0.991 349 F HN -0.111 nan 8.300 nan 0.000 0.474 350 F N 0.607 120.295 119.950 -0.436 0.000 2.171 350 F HA -0.052 4.478 4.527 0.006 0.000 0.300 350 F C 2.576 178.256 175.800 -0.199 0.000 1.090 350 F CA 0.880 58.657 58.000 -0.372 0.000 1.293 350 F CB -1.520 37.310 39.000 -0.283 0.000 1.013 350 F HN 0.084 nan 8.300 nan 0.000 0.486 351 A N -0.104 122.738 122.820 0.036 0.000 1.902 351 A HA -0.055 4.269 4.320 0.006 0.000 0.217 351 A C 2.615 180.253 177.584 0.090 0.000 1.181 351 A CA 1.793 53.889 52.037 0.098 0.000 0.623 351 A CB -1.522 17.588 19.000 0.183 0.000 0.818 351 A HN 0.389 nan 8.150 nan 0.000 0.443 352 G N -0.272 108.548 108.800 0.034 0.000 2.404 352 G HA2 -0.116 3.848 3.960 0.006 0.000 0.215 352 G HA3 -0.116 3.848 3.960 0.006 0.000 0.215 352 G C 1.486 176.428 174.900 0.071 0.000 1.174 352 G CA 1.149 46.315 45.100 0.110 0.000 0.780 352 G HN 0.458 nan 8.290 nan 0.000 0.537 353 L N 1.839 122.940 121.223 -0.203 0.000 2.012 353 L HA -0.094 4.250 4.340 0.006 0.000 0.210 353 L C 3.131 179.942 176.870 -0.098 0.000 1.073 353 L CA 2.908 57.589 54.840 -0.266 0.000 0.748 353 L CB -1.142 40.559 42.059 -0.598 0.000 0.891 353 L HN 0.389 nan 8.230 nan 0.000 0.431 354 T N -4.719 109.823 114.554 -0.020 0.000 2.929 354 T HA -0.095 4.258 4.350 0.006 0.000 0.271 354 T C 1.877 176.584 174.700 0.013 0.000 1.085 354 T CA 1.433 63.567 62.100 0.057 0.000 1.125 354 T CB -0.516 68.376 68.868 0.040 0.000 0.874 354 T HN 0.330 nan 8.240 nan 0.000 0.494 355 S N 1.569 117.264 115.700 -0.008 0.000 2.421 355 S HA 0.014 4.487 4.470 0.006 0.000 0.224 355 S C 2.481 176.962 174.600 -0.199 0.000 1.035 355 S CA 0.789 58.915 58.200 -0.123 0.000 0.953 355 S CB -0.242 62.894 63.200 -0.106 0.000 0.810 355 S HN 0.832 nan 8.310 nan 0.000 0.497 356 S N 3.042 118.701 115.700 -0.069 0.000 2.402 356 S HA -0.073 4.400 4.470 0.006 0.000 0.229 356 S C 1.978 176.542 174.600 -0.061 0.000 1.021 356 S CA 1.113 59.273 58.200 -0.066 0.000 0.974 356 S CB -0.985 62.275 63.200 0.100 0.000 0.800 356 S HN 0.704 nan 8.310 nan 0.000 0.484 357 I N 0.187 120.732 120.570 -0.042 0.000 2.394 357 I HA 0.068 4.241 4.170 0.006 0.000 0.251 357 I C 2.585 178.737 176.117 0.057 0.000 1.136 357 I CA 1.176 62.472 61.300 -0.006 0.000 1.425 357 I CB -0.859 37.135 38.000 -0.011 0.000 1.079 357 I HN 0.321 nan 8.210 nan 0.000 0.425 358 A N 2.831 125.651 122.820 -0.001 0.000 1.929 358 A HA -0.045 4.279 4.320 0.006 0.000 0.216 358 A C 2.385 179.867 177.584 -0.171 0.000 1.176 358 A CA 1.681 53.628 52.037 -0.149 0.000 0.628 358 A CB -0.807 17.895 19.000 -0.495 0.000 0.816 358 A HN 0.718 nan 8.150 nan 0.000 0.444 359 I N -4.523 115.942 120.570 -0.175 0.000 3.111 359 I HA 0.040 4.213 4.170 0.006 0.000 0.272 359 I C 1.902 177.993 176.117 -0.042 0.000 1.268 359 I CA 1.066 62.291 61.300 -0.125 0.000 1.467 359 I CB -0.159 37.734 38.000 -0.178 0.000 1.087 359 I HN 0.162 nan 8.210 nan 0.000 0.467 360 M N 0.310 119.902 119.600 -0.013 0.000 2.492 360 M HA 0.035 4.518 4.480 0.006 0.000 0.255 360 M C 2.021 178.360 176.300 0.064 0.000 1.139 360 M CA 0.505 55.822 55.300 0.029 0.000 1.096 360 M CB 0.096 32.715 32.600 0.032 0.000 1.360 360 M HN 0.214 nan 8.290 nan 0.000 0.480 361 Q N 1.494 121.349 119.800 0.091 0.000 2.226 361 Q HA -0.073 4.270 4.340 0.006 0.000 0.204 361 Q C -1.064 175.025 176.000 0.148 0.000 0.975 361 Q CA 1.836 57.726 55.803 0.145 0.000 0.866 361 Q CB -1.089 27.814 28.738 0.275 0.000 0.915 361 Q HN 0.222 nan 8.270 nan 0.000 0.440 362 P HA -0.138 nan 4.420 nan 0.000 0.216 362 P C 1.108 178.480 177.300 0.119 0.000 1.153 362 P CA 1.363 64.524 63.100 0.102 0.000 0.848 362 P CB -0.125 31.607 31.700 0.053 0.000 0.787 363 M N -1.129 118.532 119.600 0.101 0.000 2.175 363 M HA -0.087 4.396 4.480 0.006 0.000 0.264 363 M C 1.820 178.230 176.300 0.183 0.000 1.063 363 M CA 1.747 57.127 55.300 0.132 0.000 1.119 363 M CB -1.164 31.504 32.600 0.113 0.000 1.377 363 M HN -0.201 nan 8.290 nan 0.000 0.415 364 I N -0.236 120.420 120.570 0.143 0.000 2.179 364 I HA -0.253 3.920 4.170 0.006 0.000 0.242 364 I C 2.382 178.568 176.117 0.114 0.000 1.088 364 I CA 1.218 62.591 61.300 0.122 0.000 1.357 364 I CB -0.752 37.297 38.000 0.082 0.000 1.051 364 I HN 0.377 nan 8.210 nan 0.000 0.409 365 A N 0.492 123.394 122.820 0.137 0.000 1.933 365 A HA -0.256 4.068 4.320 0.006 0.000 0.218 365 A C 2.238 179.876 177.584 0.090 0.000 1.175 365 A CA 1.471 53.583 52.037 0.126 0.000 0.628 365 A CB -0.950 18.141 19.000 0.152 0.000 0.814 365 A HN 0.474 nan 8.150 nan 0.000 0.444 366 F N 0.641 120.595 119.950 0.006 0.000 2.102 366 F HA -0.111 4.420 4.527 0.006 0.000 0.298 366 F C 1.870 177.653 175.800 -0.029 0.000 1.105 366 F CA 1.701 59.687 58.000 -0.023 0.000 1.239 366 F CB -0.272 38.696 39.000 -0.053 0.000 0.991 366 F HN 0.131 nan 8.300 nan 0.000 0.474 367 L N 0.007 121.232 121.223 0.003 0.000 2.083 367 L HA -0.190 4.153 4.340 0.006 0.000 0.209 367 L C 2.314 179.098 176.870 -0.144 0.000 1.083 367 L CA 1.662 56.450 54.840 -0.087 0.000 0.752 367 L CB -0.746 41.368 42.059 0.091 0.000 0.899 367 L HN 0.240 nan 8.230 nan 0.000 0.433 368 E N -0.097 120.052 120.200 -0.085 0.000 2.033 368 E HA -0.165 4.189 4.350 0.006 0.000 0.189 368 E C 1.757 178.274 176.600 -0.138 0.000 0.979 368 E CA 1.120 57.470 56.400 -0.084 0.000 0.802 368 E CB -0.002 29.672 29.700 -0.043 0.000 0.763 368 E HN 0.437 nan 8.360 nan 0.000 0.449 369 D N 0.679 120.987 120.400 -0.153 0.000 2.097 369 D HA -0.123 4.520 4.640 0.006 0.000 0.197 369 D C 1.840 178.011 176.300 -0.215 0.000 0.984 369 D CA 1.048 54.948 54.000 -0.166 0.000 0.826 369 D CB -0.045 40.692 40.800 -0.105 0.000 0.973 369 D HN 0.114 nan 8.370 nan 0.000 0.460 370 E N -0.159 119.803 120.200 -0.398 0.000 2.216 370 E HA 0.123 4.476 4.350 0.006 0.000 0.192 370 E C 2.007 178.342 176.600 -0.441 0.000 0.973 370 E CA 0.134 56.248 56.400 -0.476 0.000 0.851 370 E CB 0.313 29.499 29.700 -0.856 0.000 0.804 370 E HN 0.296 nan 8.360 nan 0.000 0.477 371 L N 0.655 121.604 121.223 -0.457 0.000 2.693 371 L HA 0.169 4.512 4.340 0.006 0.000 0.235 371 L C -0.091 176.668 176.870 -0.185 0.000 1.127 371 L CA -0.155 54.508 54.840 -0.296 0.000 0.914 371 L CB 0.236 42.131 42.059 -0.274 0.000 1.193 371 L HN -0.152 nan 8.230 nan 0.000 0.502 372 K N 0.165 120.461 120.400 -0.173 0.000 3.069 372 K HA -0.181 4.142 4.320 0.006 0.000 0.267 372 K C -0.291 176.270 176.600 -0.065 0.000 1.082 372 K CA 0.549 56.769 56.287 -0.112 0.000 0.782 372 K CB -2.148 30.294 32.500 -0.098 0.000 1.230 372 K HN 0.154 nan 8.250 nan 0.000 0.488 373 L N 0.806 122.001 121.223 -0.047 0.000 2.436 373 L HA 0.149 4.493 4.340 0.006 0.000 0.265 373 L C 1.379 178.254 176.870 0.008 0.000 1.168 373 L CA 0.308 55.167 54.840 0.032 0.000 0.815 373 L CB 0.855 42.968 42.059 0.090 0.000 1.109 373 L HN 0.299 nan 8.230 nan 0.000 0.462 374 S N 1.948 117.647 115.700 -0.001 0.000 2.589 374 S HA 0.168 4.641 4.470 0.006 0.000 0.265 374 S C 1.213 175.780 174.600 -0.056 0.000 1.342 374 S CA -0.268 57.878 58.200 -0.090 0.000 1.005 374 S CB 0.521 63.578 63.200 -0.238 0.000 0.909 374 S HN 0.658 nan 8.310 nan 0.000 0.555 375 R N 1.208 121.660 120.500 -0.080 0.000 2.091 375 R HA -0.147 4.196 4.340 0.006 0.000 0.238 375 R C 2.308 178.583 176.300 -0.040 0.000 1.136 375 R CA 1.813 57.876 56.100 -0.062 0.000 0.959 375 R CB -0.408 29.833 30.300 -0.098 0.000 0.856 375 R HN 0.855 nan 8.270 nan 0.000 0.437 376 K N -0.347 120.002 120.400 -0.084 0.000 2.009 376 K HA -0.227 4.096 4.320 0.006 0.000 0.210 376 K C 1.853 178.496 176.600 0.071 0.000 1.049 376 K CA 2.178 58.431 56.287 -0.057 0.000 0.929 376 K CB -0.282 32.141 32.500 -0.129 0.000 0.714 376 K HN 0.497 nan 8.250 nan 0.000 0.440 377 H N -0.794 118.307 119.070 0.051 0.000 2.387 377 H HA -0.078 4.481 4.556 0.006 0.000 0.299 377 H C 2.085 177.552 175.328 0.231 0.000 1.090 377 H CA 0.646 56.781 56.048 0.146 0.000 1.332 377 H CB 0.051 29.933 29.762 0.200 0.000 1.386 377 H HN 0.419 nan 8.280 nan 0.000 0.516 378 A N 0.653 123.636 122.820 0.273 0.000 1.902 378 A HA -0.131 4.192 4.320 0.006 0.000 0.217 378 A C 2.603 180.301 177.584 0.189 0.000 1.181 378 A CA 1.464 53.633 52.037 0.221 0.000 0.623 378 A CB -0.747 18.324 19.000 0.118 0.000 0.818 378 A HN 0.197 nan 8.150 nan 0.000 0.443 379 V N 0.142 120.121 119.914 0.109 0.000 2.307 379 V HA -0.236 3.888 4.120 0.006 0.000 0.245 379 V C 2.565 178.696 176.094 0.062 0.000 1.045 379 V CA 1.883 64.219 62.300 0.059 0.000 1.024 379 V CB -0.754 31.063 31.823 -0.009 0.000 0.651 379 V HN 0.557 nan 8.190 nan 0.000 0.449 380 L N -1.898 119.351 121.223 0.043 0.000 2.056 380 L HA -0.181 4.163 4.340 0.006 0.000 0.207 380 L C 2.409 179.248 176.870 -0.051 0.000 1.078 380 L CA 1.917 56.727 54.840 -0.051 0.000 0.749 380 L CB -0.504 41.474 42.059 -0.135 0.000 0.901 380 L HN 0.384 nan 8.230 nan 0.000 0.433 381 W N 0.041 121.387 121.300 0.077 0.000 2.388 381 W HA -0.151 4.512 4.660 0.006 0.000 0.294 381 W C 2.687 179.276 176.519 0.117 0.000 1.212 381 W CA 1.247 58.646 57.345 0.090 0.000 1.271 381 W CB -0.414 29.104 29.460 0.097 0.000 1.126 381 W HN 0.010 nan 8.180 nan 0.000 0.535 382 T N -0.011 114.739 114.554 0.327 0.000 2.708 382 T HA -0.192 4.162 4.350 0.006 0.000 0.266 382 T C 1.976 176.799 174.700 0.205 0.000 1.037 382 T CA 1.732 63.981 62.100 0.249 0.000 1.146 382 T CB -0.731 68.246 68.868 0.181 0.000 0.865 382 T HN 0.178 nan 8.240 nan 0.000 0.435 383 A N 1.426 124.331 122.820 0.142 0.000 1.933 383 A HA 0.117 4.440 4.320 0.006 0.000 0.218 383 A C 2.623 180.323 177.584 0.193 0.000 1.175 383 A CA 1.886 53.992 52.037 0.114 0.000 0.628 383 A CB -1.071 17.940 19.000 0.018 0.000 0.814 383 A HN 0.508 nan 8.150 nan 0.000 0.444 384 A N -0.002 122.924 122.820 0.178 0.000 1.902 384 A HA -0.082 4.242 4.320 0.006 0.000 0.217 384 A C 2.115 179.923 177.584 0.373 0.000 1.181 384 A CA 1.535 53.720 52.037 0.247 0.000 0.623 384 A CB -0.604 18.454 19.000 0.097 0.000 0.818 384 A HN 0.505 nan 8.150 nan 0.000 0.443 385 I N -0.531 120.246 120.570 0.345 0.000 2.226 385 I HA -0.201 3.973 4.170 0.006 0.000 0.245 385 I C 2.314 178.656 176.117 0.374 0.000 1.100 385 I CA 1.060 62.566 61.300 0.344 0.000 1.374 385 I CB -0.329 37.848 38.000 0.294 0.000 1.057 385 I HN 0.148 nan 8.210 nan 0.000 0.413 386 V N 0.644 120.754 119.914 0.326 0.000 2.307 386 V HA -0.284 3.839 4.120 0.006 0.000 0.245 386 V C 2.277 178.608 176.094 0.394 0.000 1.045 386 V CA 1.831 64.317 62.300 0.310 0.000 1.024 386 V CB -0.682 31.289 31.823 0.247 0.000 0.651 386 V HN 0.363 nan 8.190 nan 0.000 0.449 387 F N 0.728 120.850 119.950 0.286 0.000 2.069 387 F HA -0.246 4.284 4.527 0.006 0.000 0.298 387 F C 2.139 178.232 175.800 0.488 0.000 1.113 387 F CA 1.958 60.172 58.000 0.358 0.000 1.214 387 F CB -0.667 38.464 39.000 0.219 0.000 0.978 387 F HN 0.203 nan 8.300 nan 0.000 0.474 388 F N 0.887 120.943 119.950 0.176 0.000 2.069 388 F HA -0.192 4.339 4.527 0.006 0.000 0.298 388 F C 2.515 178.364 175.800 0.082 0.000 1.113 388 F CA 2.205 60.225 58.000 0.033 0.000 1.214 388 F CB -1.080 37.974 39.000 0.088 0.000 0.978 388 F HN -0.045 nan 8.300 nan 0.000 0.474 389 S N 0.625 116.382 115.700 0.095 0.000 2.400 389 S HA -0.190 4.283 4.470 0.006 0.000 0.232 389 S C 2.241 176.762 174.600 -0.132 0.000 1.025 389 S CA 1.001 59.184 58.200 -0.028 0.000 0.993 389 S CB -0.933 62.470 63.200 0.338 0.000 0.808 389 S HN 0.574 nan 8.310 nan 0.000 0.478 390 A N 1.027 123.815 122.820 -0.055 0.000 2.070 390 A HA -0.151 4.172 4.320 0.006 0.000 0.220 390 A C 1.609 178.927 177.584 -0.444 0.000 1.159 390 A CA 1.470 53.373 52.037 -0.225 0.000 0.656 390 A CB -0.777 18.094 19.000 -0.214 0.000 0.800 390 A HN 0.544 nan 8.150 nan 0.000 0.453 391 H N -1.326 117.492 119.070 -0.419 0.000 2.489 391 H HA -0.065 4.495 4.556 0.006 0.000 0.293 391 H C 1.771 176.994 175.328 -0.175 0.000 1.066 391 H CA 1.401 57.291 56.048 -0.263 0.000 1.305 391 H CB -0.108 29.471 29.762 -0.305 0.000 1.386 391 H HN 0.423 nan 8.280 nan 0.000 0.551 392 L N -0.178 120.925 121.223 -0.200 0.000 2.056 392 L HA -0.095 4.248 4.340 0.006 0.000 0.207 392 L C 2.012 178.817 176.870 -0.108 0.000 1.078 392 L CA 1.113 55.857 54.840 -0.159 0.000 0.749 392 L CB -0.367 41.547 42.059 -0.242 0.000 0.901 392 L HN 0.098 nan 8.230 nan 0.000 0.433 393 V N -0.672 119.146 119.914 -0.160 0.000 2.548 393 V HA -0.244 3.879 4.120 0.006 0.000 0.249 393 V C 2.435 178.381 176.094 -0.247 0.000 1.055 393 V CA 1.778 64.001 62.300 -0.128 0.000 1.065 393 V CB -0.467 31.317 31.823 -0.065 0.000 0.681 393 V HN 0.415 nan 8.190 nan 0.000 0.462 394 M N -1.608 117.662 119.600 -0.550 0.000 2.349 394 M HA 0.018 4.501 4.480 0.006 0.000 0.266 394 M C 1.594 177.443 176.300 -0.752 0.000 1.076 394 M CA 1.854 56.655 55.300 -0.832 0.000 1.126 394 M CB -0.080 31.788 32.600 -1.221 0.000 1.392 394 M HN 0.346 nan 8.290 nan 0.000 0.440 395 F N -1.106 118.724 119.950 -0.199 0.000 2.752 395 F HA 0.256 4.786 4.527 0.006 0.000 0.310 395 F C 0.336 176.070 175.800 -0.110 0.000 1.097 395 F CA -0.427 57.493 58.000 -0.134 0.000 1.238 395 F CB 0.521 39.446 39.000 -0.125 0.000 1.061 395 F HN -0.093 nan 8.300 nan 0.000 0.591 396 L N 1.432 122.676 121.223 0.034 0.000 2.265 396 L HA 0.408 4.752 4.340 0.006 0.000 0.289 396 L C -0.141 176.698 176.870 -0.052 0.000 1.033 396 L CA -0.645 54.186 54.840 -0.015 0.000 0.814 396 L CB 0.232 42.279 42.059 -0.021 0.000 1.203 396 L HN -0.091 nan 8.230 nan 0.000 0.423 397 N N 4.592 123.243 118.700 -0.082 0.000 2.412 397 N HA 0.056 4.800 4.740 0.006 0.000 0.258 397 N C 0.230 175.684 175.510 -0.094 0.000 1.236 397 N CA 0.592 53.583 53.050 -0.098 0.000 0.882 397 N CB 0.366 38.771 38.487 -0.136 0.000 1.066 397 N HN 0.475 nan 8.380 nan 0.000 0.465 398 K N 0.134 120.500 120.400 -0.057 0.000 3.553 398 K HA -0.202 4.122 4.320 0.006 0.000 0.303 398 K C 1.159 177.745 176.600 -0.023 0.000 1.327 398 K CA 1.105 57.366 56.287 -0.043 0.000 0.983 398 K CB -2.151 30.303 32.500 -0.076 0.000 1.275 398 K HN 0.521 nan 8.250 nan 0.000 0.453 399 S N 0.732 116.424 115.700 -0.013 0.000 2.368 399 S HA 0.010 4.484 4.470 0.006 0.000 0.224 399 S C 1.815 176.423 174.600 0.014 0.000 1.029 399 S CA 1.347 59.555 58.200 0.014 0.000 0.988 399 S CB -0.041 63.166 63.200 0.011 0.000 0.838 399 S HN 0.428 nan 8.310 nan 0.000 0.462 400 L N 1.222 122.448 121.223 0.006 0.000 2.013 400 L HA -0.201 4.143 4.340 0.006 0.000 0.212 400 L C 1.793 178.552 176.870 -0.185 0.000 1.073 400 L CA 2.481 57.287 54.840 -0.055 0.000 0.753 400 L CB -0.671 41.425 42.059 0.062 0.000 0.890 400 L HN 0.280 nan 8.230 nan 0.000 0.432 401 D N -0.530 119.825 120.400 -0.075 0.000 2.123 401 D HA -0.240 4.403 4.640 0.006 0.000 0.196 401 D C 2.063 178.340 176.300 -0.037 0.000 0.992 401 D CA 1.324 55.278 54.000 -0.077 0.000 0.833 401 D CB -0.091 40.682 40.800 -0.045 0.000 0.954 401 D HN 0.357 nan 8.370 nan 0.000 0.455 402 E N 0.061 120.274 120.200 0.023 0.000 2.077 402 E HA -0.103 4.250 4.350 0.006 0.000 0.193 402 E C 1.991 178.753 176.600 0.269 0.000 0.989 402 E CA 0.983 57.482 56.400 0.164 0.000 0.800 402 E CB -0.112 29.696 29.700 0.179 0.000 0.746 402 E HN 0.262 nan 8.360 nan 0.000 0.452 403 M N -0.060 119.616 119.600 0.127 0.000 2.132 403 M HA -0.127 4.356 4.480 0.006 0.000 0.263 403 M C 1.914 178.251 176.300 0.061 0.000 1.065 403 M CA 1.832 57.218 55.300 0.144 0.000 1.122 403 M CB -0.313 32.375 32.600 0.148 0.000 1.365 403 M HN 0.080 nan 8.290 nan 0.000 0.411 404 D N 0.206 120.438 120.400 -0.280 0.000 2.178 404 D HA -0.190 4.453 4.640 0.006 0.000 0.201 404 D C 1.659 177.988 176.300 0.049 0.000 0.980 404 D CA 1.120 55.001 54.000 -0.198 0.000 0.842 404 D CB 0.014 40.582 40.800 -0.386 0.000 0.948 404 D HN 0.267 nan 8.370 nan 0.000 0.472 405 F N -0.518 119.365 119.950 -0.112 0.000 2.060 405 F HA -0.021 4.509 4.527 0.005 0.000 0.295 405 F C 1.625 177.284 175.800 -0.235 0.000 1.120 405 F CA 1.429 59.302 58.000 -0.212 0.000 1.205 405 F CB -0.763 38.003 39.000 -0.390 0.000 0.986 405 F HN 0.024 nan 8.300 nan 0.000 0.470 406 W N 0.239 121.494 121.300 -0.075 0.000 2.358 406 W HA -0.044 4.620 4.660 0.007 0.000 0.303 406 W C 2.539 179.046 176.519 -0.020 0.000 1.208 406 W CA 1.762 59.042 57.345 -0.109 0.000 1.274 406 W CB -0.896 28.689 29.460 0.208 0.000 1.138 406 W HN 0.137 nan 8.180 nan 0.000 0.515 407 A N -0.290 122.635 122.820 0.175 0.000 1.887 407 A HA 0.206 4.530 4.320 0.006 0.000 0.210 407 A C 2.159 179.715 177.584 -0.046 0.000 1.221 407 A CA 1.232 53.279 52.037 0.017 0.000 0.635 407 A CB -1.365 17.483 19.000 -0.252 0.000 0.881 407 A HN 0.220 nan 8.150 nan 0.000 0.456 408 G N -1.526 107.316 108.800 0.070 0.000 2.598 408 G HA2 0.170 4.133 3.960 0.006 0.000 0.215 408 G HA3 0.170 4.133 3.960 0.006 0.000 0.215 408 G C 1.155 176.166 174.900 0.185 0.000 1.131 408 G CA 1.680 46.890 45.100 0.183 0.000 0.785 408 G HN 0.460 nan 8.290 nan 0.000 0.539 409 T N 0.180 114.726 114.554 -0.014 0.000 3.311 409 T HA 0.191 4.544 4.350 0.006 0.000 0.239 409 T C 2.180 176.705 174.700 -0.292 0.000 0.976 409 T CA -0.085 61.998 62.100 -0.029 0.000 1.283 409 T CB 0.033 68.896 68.868 -0.008 0.000 1.113 409 T HN -0.046 nan 8.240 nan 0.000 0.392 410 I N 2.235 122.395 120.570 -0.683 0.000 2.163 410 I HA -0.009 4.164 4.170 0.006 0.000 0.240 410 I C 2.899 178.784 176.117 -0.387 0.000 1.081 410 I CA 1.698 62.507 61.300 -0.818 0.000 1.353 410 I CB -1.878 35.506 38.000 -1.026 0.000 1.054 410 I HN 0.394 nan 8.210 nan 0.000 0.407 411 G N 1.708 110.396 108.800 -0.187 0.000 2.491 411 G HA2 -0.250 3.713 3.960 0.006 0.000 0.218 411 G HA3 -0.250 3.713 3.960 0.006 0.000 0.218 411 G C 1.830 176.748 174.900 0.031 0.000 1.180 411 G CA 2.083 47.205 45.100 0.037 0.000 0.774 411 G HN 0.387 nan 8.290 nan 0.000 0.562 412 V N -0.928 118.936 119.914 -0.083 0.000 2.407 412 V HA -0.146 3.978 4.120 0.006 0.000 0.248 412 V C 2.719 178.612 176.094 -0.336 0.000 1.055 412 V CA 1.905 64.164 62.300 -0.068 0.000 1.049 412 V CB -0.919 30.898 31.823 -0.010 0.000 0.662 412 V HN 0.172 nan 8.190 nan 0.000 0.455 413 V N 0.133 119.707 119.914 -0.566 0.000 2.307 413 V HA -0.181 3.943 4.120 0.006 0.000 0.245 413 V C 2.379 178.302 176.094 -0.285 0.000 1.045 413 V CA 2.517 64.340 62.300 -0.794 0.000 1.024 413 V CB -0.993 30.577 31.823 -0.420 0.000 0.651 413 V HN 0.616 nan 8.190 nan 0.000 0.449 414 F N 0.314 120.101 119.950 -0.271 0.000 2.126 414 F HA -0.225 4.305 4.527 0.005 0.000 0.299 414 F C 2.043 177.813 175.800 -0.050 0.000 1.096 414 F CA 1.713 59.609 58.000 -0.174 0.000 1.255 414 F CB -0.459 38.396 39.000 -0.242 0.000 0.997 414 F HN 0.173 nan 8.300 nan 0.000 0.479 415 F N 0.993 120.779 119.950 -0.272 0.000 2.259 415 F HA 0.126 4.656 4.527 0.005 0.000 0.298 415 F C 2.403 178.155 175.800 -0.081 0.000 1.088 415 F CA 1.283 59.148 58.000 -0.226 0.000 1.358 415 F CB -1.075 37.947 39.000 0.037 0.000 1.040 415 F HN 0.008 nan 8.300 nan 0.000 0.505 416 G N 0.283 109.121 108.800 0.064 0.000 2.418 416 G HA2 -0.269 3.694 3.960 0.006 0.000 0.217 416 G HA3 -0.269 3.694 3.960 0.006 0.000 0.217 416 G C 1.623 176.513 174.900 -0.016 0.000 1.158 416 G CA 0.957 46.172 45.100 0.192 0.000 0.771 416 G HN 0.394 nan 8.290 nan 0.000 0.545 417 L N 0.943 122.106 121.223 -0.099 0.000 2.093 417 L HA 0.041 4.385 4.340 0.006 0.000 0.208 417 L C 2.847 179.512 176.870 -0.342 0.000 1.085 417 L CA 2.423 57.152 54.840 -0.185 0.000 0.755 417 L CB -0.915 41.050 42.059 -0.158 0.000 0.904 417 L HN 0.164 nan 8.230 nan 0.000 0.435 418 T N 0.206 114.480 114.554 -0.468 0.000 2.708 418 T HA -0.193 4.160 4.350 0.006 0.000 0.266 418 T C 1.577 175.965 174.700 -0.521 0.000 1.037 418 T CA 1.664 63.452 62.100 -0.521 0.000 1.146 418 T CB -0.269 68.235 68.868 -0.608 0.000 0.865 418 T HN 0.690 nan 8.240 nan 0.000 0.435 419 E N 1.238 121.131 120.200 -0.511 0.000 2.150 419 E HA -0.043 4.311 4.350 0.006 0.000 0.193 419 E C 2.309 178.767 176.600 -0.237 0.000 0.985 419 E CA 0.698 56.848 56.400 -0.417 0.000 0.814 419 E CB -0.560 28.973 29.700 -0.277 0.000 0.752 419 E HN 0.407 nan 8.360 nan 0.000 0.466 420 L N 0.649 121.741 121.223 -0.217 0.000 2.027 420 L HA -0.153 4.190 4.340 0.006 0.000 0.206 420 L C 2.341 179.043 176.870 -0.279 0.000 1.074 420 L CA 0.901 55.642 54.840 -0.165 0.000 0.745 420 L CB -0.137 41.784 42.059 -0.230 0.000 0.898 420 L HN 0.144 nan 8.230 nan 0.000 0.433 421 I N 0.601 120.885 120.570 -0.475 0.000 2.069 421 I HA -0.374 3.799 4.170 0.006 0.000 0.237 421 I C 2.623 178.580 176.117 -0.266 0.000 1.053 421 I CA 1.892 62.848 61.300 -0.573 0.000 1.311 421 I CB -1.067 36.649 38.000 -0.474 0.000 1.030 421 I HN 0.305 nan 8.210 nan 0.000 0.398 422 I N -0.331 120.064 120.570 -0.291 0.000 2.194 422 I HA -0.366 3.807 4.170 0.006 0.000 0.246 422 I C 2.539 178.661 176.117 0.008 0.000 1.093 422 I CA 1.662 62.819 61.300 -0.238 0.000 1.355 422 I CB -0.424 37.296 38.000 -0.467 0.000 1.046 422 I HN 0.130 nan 8.210 nan 0.000 0.413 423 F N 0.291 120.171 119.950 -0.117 0.000 2.179 423 F HA -0.081 4.449 4.527 0.005 0.000 0.292 423 F C 2.005 177.909 175.800 0.172 0.000 1.089 423 F CA 1.300 59.319 58.000 0.032 0.000 1.295 423 F CB -0.322 38.698 39.000 0.033 0.000 1.041 423 F HN -0.129 nan 8.300 nan 0.000 0.487 424 F N -1.940 117.992 119.950 -0.031 0.000 2.698 424 F HA 0.008 4.539 4.527 0.006 0.000 0.295 424 F C 1.155 177.066 175.800 0.185 0.000 1.124 424 F CA 0.500 58.465 58.000 -0.058 0.000 1.426 424 F CB -0.088 38.877 39.000 -0.058 0.000 1.120 424 F HN -0.028 nan 8.300 nan 0.000 0.583 425 W N -0.767 120.496 121.300 -0.061 0.000 2.922 425 W HA 0.280 4.943 4.660 0.005 0.000 0.260 425 W C 2.085 178.501 176.519 -0.172 0.000 1.088 425 W CA -0.041 57.229 57.345 -0.125 0.000 1.694 425 W CB -1.027 28.369 29.460 -0.106 0.000 1.064 425 W HN -0.207 nan 8.180 nan 0.000 0.611 426 I N -0.499 120.099 120.570 0.046 0.000 2.235 426 I HA -0.237 3.936 4.170 0.006 0.000 0.241 426 I C 2.360 178.463 176.117 -0.023 0.000 1.085 426 I CA 1.376 62.606 61.300 -0.117 0.000 1.378 426 I CB -0.824 36.934 38.000 -0.403 0.000 1.076 426 I HN -0.200 nan 8.210 nan 0.000 0.415 427 F N 1.962 121.836 119.950 -0.127 0.000 2.216 427 F HA 0.107 4.637 4.527 0.006 0.000 0.300 427 F C 1.027 176.713 175.800 -0.190 0.000 1.085 427 F CA 1.104 59.031 58.000 -0.120 0.000 1.326 427 F CB -0.215 38.716 39.000 -0.115 0.000 1.027 427 F HN 0.105 nan 8.300 nan 0.000 0.497 428 G N -0.790 107.816 108.800 -0.324 0.000 3.162 428 G HA2 0.306 4.269 3.960 0.006 0.000 0.599 428 G HA3 0.306 4.269 3.960 0.006 0.000 0.599 428 G C 0.375 174.941 174.900 -0.556 0.000 1.335 428 G CA -0.417 44.413 45.100 -0.450 0.000 1.091 428 G HN 0.607 nan 8.290 nan 0.000 0.570 429 A N 1.747 124.277 122.820 -0.484 0.000 1.892 429 A HA -0.055 4.268 4.320 0.006 0.000 0.218 429 A C 2.041 179.280 177.584 -0.575 0.000 1.188 429 A CA 2.557 54.134 52.037 -0.768 0.000 0.631 429 A CB -0.268 18.489 19.000 -0.405 0.000 0.822 429 A HN 0.686 nan 8.150 nan 0.000 0.447 430 D N -0.467 119.776 120.400 -0.263 0.000 2.149 430 D HA -0.083 4.560 4.640 0.006 0.000 0.201 430 D C 1.897 178.098 176.300 -0.164 0.000 0.972 430 D CA 1.252 55.183 54.000 -0.114 0.000 0.835 430 D CB -0.245 40.487 40.800 -0.112 0.000 0.966 430 D HN 0.534 nan 8.370 nan 0.000 0.476 431 K N 0.978 121.169 120.400 -0.347 0.000 2.097 431 K HA -0.007 4.317 4.320 0.006 0.000 0.205 431 K C 2.193 178.623 176.600 -0.283 0.000 1.050 431 K CA 0.958 57.015 56.287 -0.384 0.000 0.938 431 K CB 0.024 32.040 32.500 -0.807 0.000 0.718 431 K HN -0.010 nan 8.250 nan 0.000 0.442 432 A N 1.666 124.179 122.820 -0.512 0.000 1.873 432 A HA -0.181 4.143 4.320 0.006 0.000 0.215 432 A C 1.938 179.404 177.584 -0.196 0.000 1.186 432 A CA 0.997 52.612 52.037 -0.703 0.000 0.616 432 A CB -0.989 17.092 19.000 -1.531 0.000 0.823 432 A HN 0.598 nan 8.150 nan 0.000 0.442 433 W N 0.989 122.080 121.300 -0.349 0.000 2.338 433 W HA -0.233 4.431 4.660 0.005 0.000 0.304 433 W C 1.884 178.401 176.519 -0.004 0.000 1.212 433 W CA 2.364 59.703 57.345 -0.010 0.000 1.264 433 W CB -0.125 29.402 29.460 0.111 0.000 1.142 433 W HN 0.521 nan 8.180 nan 0.000 0.512 434 E N 0.992 121.237 120.200 0.076 0.000 2.077 434 E HA -0.290 4.063 4.350 0.006 0.000 0.193 434 E C 1.879 178.472 176.600 -0.011 0.000 0.989 434 E CA 2.109 58.510 56.400 0.001 0.000 0.800 434 E CB -0.515 29.199 29.700 0.023 0.000 0.746 434 E HN 0.139 nan 8.360 nan 0.000 0.452 435 E N 0.128 120.367 120.200 0.065 0.000 2.106 435 E HA -0.099 4.254 4.350 0.006 0.000 0.192 435 E C 1.940 178.613 176.600 0.122 0.000 0.984 435 E CA 1.350 57.847 56.400 0.162 0.000 0.806 435 E CB -0.290 29.597 29.700 0.311 0.000 0.750 435 E HN 0.462 nan 8.360 nan 0.000 0.458 436 I N 0.656 121.268 120.570 0.070 0.000 2.202 436 I HA -0.250 3.923 4.170 0.006 0.000 0.242 436 I C 1.940 177.920 176.117 -0.229 0.000 1.091 436 I CA 1.094 62.371 61.300 -0.037 0.000 1.368 436 I CB -0.346 37.597 38.000 -0.095 0.000 1.058 436 I HN 0.134 nan 8.210 nan 0.000 0.410 437 N N 0.886 119.362 118.700 -0.372 0.000 2.396 437 N HA -0.090 4.654 4.740 0.006 0.000 0.180 437 N C 0.921 176.311 175.510 -0.199 0.000 1.028 437 N CA 0.201 53.020 53.050 -0.384 0.000 0.893 437 N CB -0.139 38.041 38.487 -0.513 0.000 0.967 437 N HN 0.276 nan 8.380 nan 0.000 0.440 438 R N 0.761 121.195 120.500 -0.110 0.000 2.486 438 R HA 0.008 4.352 4.340 0.006 0.000 0.303 438 R C 0.897 177.179 176.300 -0.030 0.000 0.958 438 R CA 1.027 57.103 56.100 -0.041 0.000 1.077 438 R CB -0.163 30.150 30.300 0.021 0.000 0.921 438 R HN 0.314 nan 8.270 nan 0.000 0.406 439 G N 2.608 111.390 108.800 -0.031 0.000 2.184 439 G HA2 -0.272 3.691 3.960 0.006 0.000 0.264 439 G HA3 -0.272 3.691 3.960 0.006 0.000 0.264 439 G C 0.394 175.268 174.900 -0.043 0.000 0.975 439 G CA 0.031 45.119 45.100 -0.020 0.000 0.642 439 G HN 0.957 nan 8.290 nan 0.000 0.536 440 G N -0.503 108.245 108.800 -0.086 0.000 2.398 440 G HA2 0.466 4.429 3.960 0.006 0.000 0.246 440 G HA3 0.466 4.429 3.960 0.006 0.000 0.246 440 G C 1.181 176.027 174.900 -0.090 0.000 1.289 440 G CA -0.057 44.972 45.100 -0.118 0.000 0.869 440 G HN 0.431 nan 8.290 nan 0.000 0.543 441 I N 1.391 121.914 120.570 -0.079 0.000 2.676 441 I HA 0.051 4.225 4.170 0.006 0.000 0.259 441 I C 1.052 177.130 176.117 -0.064 0.000 1.194 441 I CA 0.968 62.234 61.300 -0.056 0.000 1.473 441 I CB -0.349 37.625 38.000 -0.044 0.000 1.096 441 I HN 0.501 nan 8.210 nan 0.000 0.443 442 I N -3.229 117.284 120.570 -0.095 0.000 3.095 442 I HA 0.464 4.638 4.170 0.006 0.000 0.310 442 I C -0.931 175.085 176.117 -0.167 0.000 1.196 442 I CA -1.068 60.174 61.300 -0.097 0.000 0.985 442 I CB 2.080 40.037 38.000 -0.071 0.000 1.250 442 I HN -0.263 nan 8.210 nan 0.000 0.446 443 K N 2.009 122.317 120.400 -0.154 0.000 2.123 443 K HA 0.600 4.924 4.320 0.006 0.000 0.259 443 K C -0.946 175.488 176.600 -0.278 0.000 0.960 443 K CA -0.910 55.241 56.287 -0.228 0.000 0.872 443 K CB 2.500 34.925 32.500 -0.125 0.000 1.079 443 K HN 0.425 nan 8.250 nan 0.000 0.440 444 V N 4.088 123.707 119.914 -0.491 0.000 2.572 444 V HA 0.052 4.175 4.120 0.006 0.000 0.291 444 V C -2.083 174.034 176.094 0.039 0.000 1.039 444 V CA -1.418 60.576 62.300 -0.510 0.000 1.055 444 V CB 0.379 31.657 31.823 -0.908 0.000 0.969 444 V HN 0.659 nan 8.190 nan 0.000 0.482 445 P HA 0.036 nan 4.420 nan 0.000 0.262 445 P C 0.850 178.418 177.300 0.446 0.000 1.182 445 P CA 0.180 63.466 63.100 0.309 0.000 0.761 445 P CB 0.390 32.294 31.700 0.340 0.000 0.795 446 R N 3.099 123.800 120.500 0.336 0.000 2.133 446 R HA -0.216 4.128 4.340 0.006 0.000 0.247 446 R C 1.849 178.281 176.300 0.221 0.000 1.151 446 R CA 1.446 57.707 56.100 0.268 0.000 0.971 446 R CB -0.615 29.782 30.300 0.160 0.000 0.866 446 R HN 0.405 nan 8.270 nan 0.000 0.447 447 I N 0.197 120.900 120.570 0.222 0.000 2.335 447 I HA -0.287 3.886 4.170 0.006 0.000 0.251 447 I C 1.265 177.492 176.117 0.182 0.000 1.129 447 I CA 1.553 62.969 61.300 0.193 0.000 1.402 447 I CB -0.278 37.732 38.000 0.016 0.000 1.069 447 I HN 0.225 nan 8.210 nan 0.000 0.424 448 Y N -1.368 119.085 120.300 0.256 0.000 2.497 448 Y HA -0.284 4.270 4.550 0.005 0.000 0.292 448 Y C 2.252 178.241 175.900 0.147 0.000 1.137 448 Y CA 1.486 59.737 58.100 0.252 0.000 1.285 448 Y CB -0.466 38.227 38.460 0.387 0.000 0.991 448 Y HN 0.367 nan 8.280 nan 0.000 0.556 449 Y N -0.815 119.402 120.300 -0.137 0.000 2.181 449 Y HA -0.334 4.219 4.550 0.006 0.000 0.288 449 Y C 1.540 177.198 175.900 -0.404 0.000 1.146 449 Y CA 1.618 59.341 58.100 -0.629 0.000 1.164 449 Y CB -0.677 36.889 38.460 -1.490 0.000 0.982 449 Y HN 0.107 nan 8.280 nan 0.000 0.515 450 Y N -1.289 119.058 120.300 0.078 0.000 2.395 450 Y HA -0.113 4.440 4.550 0.006 0.000 0.293 450 Y C 2.444 178.384 175.900 0.066 0.000 1.123 450 Y CA 1.128 59.308 58.100 0.134 0.000 1.227 450 Y CB -0.752 37.853 38.460 0.242 0.000 1.012 450 Y HN -0.019 nan 8.280 nan 0.000 0.552 451 V N -0.038 119.964 119.914 0.145 0.000 2.270 451 V HA -0.334 3.789 4.120 0.006 0.000 0.245 451 V C 2.219 178.304 176.094 -0.015 0.000 1.043 451 V CA 2.010 64.365 62.300 0.091 0.000 1.014 451 V CB -0.599 31.287 31.823 0.106 0.000 0.645 451 V HN 0.405 nan 8.190 nan 0.000 0.447 452 M N -0.635 118.871 119.600 -0.157 0.000 2.117 452 M HA -0.203 4.280 4.480 0.006 0.000 0.262 452 M C 2.438 178.399 176.300 -0.565 0.000 1.065 452 M CA 1.930 56.938 55.300 -0.486 0.000 1.114 452 M CB -0.474 31.539 32.600 -0.978 0.000 1.361 452 M HN 0.178 nan 8.290 nan 0.000 0.408 453 R N -0.685 119.492 120.500 -0.539 0.000 2.093 453 R HA -0.104 4.239 4.340 0.006 0.000 0.224 453 R C 1.242 177.412 176.300 -0.217 0.000 1.101 453 R CA 1.415 57.304 56.100 -0.351 0.000 0.979 453 R CB 0.248 30.062 30.300 -0.809 0.000 0.877 453 R HN 0.347 nan 8.270 nan 0.000 0.441 454 Y N -1.378 119.018 120.300 0.161 0.000 2.673 454 Y HA 0.174 4.727 4.550 0.005 0.000 0.278 454 Y C 1.912 177.908 175.900 0.161 0.000 1.127 454 Y CA -0.398 57.821 58.100 0.198 0.000 1.261 454 Y CB 0.043 38.589 38.460 0.143 0.000 1.412 454 Y HN -0.132 nan 8.280 nan 0.000 0.496 455 I N 0.184 120.909 120.570 0.258 0.000 2.162 455 I HA -0.193 3.981 4.170 0.006 0.000 0.238 455 I C 2.028 178.236 176.117 0.153 0.000 1.076 455 I CA 1.689 63.092 61.300 0.170 0.000 1.353 455 I CB -1.665 36.390 38.000 0.091 0.000 1.063 455 I HN 0.191 nan 8.210 nan 0.000 0.408 456 T N 2.918 117.521 114.554 0.082 0.000 2.635 456 T HA -0.097 4.257 4.350 0.006 0.000 0.267 456 T C -0.307 174.475 174.700 0.138 0.000 1.040 456 T CA 2.094 64.245 62.100 0.085 0.000 1.156 456 T CB -1.537 67.325 68.868 -0.011 0.000 0.863 456 T HN 0.320 nan 8.240 nan 0.000 0.430 457 P HA 0.001 nan 4.420 nan 0.000 0.217 457 P C 1.374 178.746 177.300 0.119 0.000 1.150 457 P CA 1.395 64.493 63.100 -0.003 0.000 0.832 457 P CB -0.130 31.458 31.700 -0.186 0.000 0.787 458 A N -0.646 122.298 122.820 0.207 0.000 1.929 458 A HA -0.133 4.191 4.320 0.006 0.000 0.216 458 A C 2.126 179.831 177.584 0.201 0.000 1.176 458 A CA 0.925 53.087 52.037 0.208 0.000 0.628 458 A CB -1.752 17.379 19.000 0.219 0.000 0.816 458 A HN 0.089 nan 8.150 nan 0.000 0.444 459 F N 0.809 120.803 119.950 0.073 0.000 2.095 459 F HA -0.156 4.374 4.527 0.005 0.000 0.298 459 F C 1.936 177.795 175.800 0.098 0.000 1.104 459 F CA 1.819 59.857 58.000 0.064 0.000 1.232 459 F CB -0.254 38.787 39.000 0.069 0.000 0.987 459 F HN 0.136 nan 8.300 nan 0.000 0.475 460 L N -0.544 120.806 121.223 0.213 0.000 2.072 460 L HA -0.125 4.218 4.340 0.006 0.000 0.205 460 L C 2.773 179.689 176.870 0.077 0.000 1.079 460 L CA 0.971 55.895 54.840 0.139 0.000 0.752 460 L CB -1.316 40.865 42.059 0.204 0.000 0.906 460 L HN 0.207 nan 8.230 nan 0.000 0.436 461 A N 0.158 123.024 122.820 0.077 0.000 1.883 461 A HA -0.168 4.155 4.320 0.006 0.000 0.217 461 A C 2.355 179.979 177.584 0.066 0.000 1.186 461 A CA 2.015 54.097 52.037 0.075 0.000 0.624 461 A CB -0.903 18.151 19.000 0.090 0.000 0.822 461 A HN 0.178 nan 8.150 nan 0.000 0.444 462 V N -0.219 119.715 119.914 0.032 0.000 2.255 462 V HA -0.263 3.860 4.120 0.006 0.000 0.247 462 V C 2.489 178.588 176.094 0.009 0.000 1.051 462 V CA 2.025 64.328 62.300 0.005 0.000 1.018 462 V CB -0.989 30.804 31.823 -0.050 0.000 0.641 462 V HN 0.596 nan 8.190 nan 0.000 0.445 463 L N -0.236 120.956 121.223 -0.052 0.000 1.997 463 L HA -0.232 4.112 4.340 0.006 0.000 0.216 463 L C 2.264 179.272 176.870 0.230 0.000 1.074 463 L CA 2.065 56.916 54.840 0.019 0.000 0.763 463 L CB -0.560 41.479 42.059 -0.033 0.000 0.890 463 L HN 0.219 nan 8.230 nan 0.000 0.434 464 L N -1.868 119.485 121.223 0.217 0.000 2.083 464 L HA -0.223 4.120 4.340 0.006 0.000 0.209 464 L C 2.389 179.391 176.870 0.220 0.000 1.083 464 L CA 1.083 56.064 54.840 0.235 0.000 0.752 464 L CB -0.600 41.533 42.059 0.124 0.000 0.899 464 L HN 0.175 nan 8.230 nan 0.000 0.433 465 V N -0.764 119.246 119.914 0.160 0.000 2.270 465 V HA -0.238 3.885 4.120 0.006 0.000 0.245 465 V C 2.397 178.589 176.094 0.163 0.000 1.043 465 V CA 1.556 63.936 62.300 0.134 0.000 1.014 465 V CB -0.241 31.638 31.823 0.093 0.000 0.645 465 V HN 0.189 nan 8.190 nan 0.000 0.447 466 V N -1.098 118.916 119.914 0.166 0.000 2.490 466 V HA -0.256 3.868 4.120 0.006 0.000 0.250 466 V C 2.098 178.376 176.094 0.306 0.000 1.061 466 V CA 1.904 64.306 62.300 0.170 0.000 1.064 466 V CB -0.686 31.222 31.823 0.143 0.000 0.670 466 V HN 0.736 nan 8.190 nan 0.000 0.461 467 W N 1.101 122.512 121.300 0.185 0.000 2.378 467 W HA -0.133 4.531 4.660 0.007 0.000 0.313 467 W C 2.533 179.172 176.519 0.199 0.000 1.197 467 W CA 1.980 59.485 57.345 0.267 0.000 1.304 467 W CB -0.708 28.838 29.460 0.143 0.000 1.148 467 W HN 0.266 nan 8.180 nan 0.000 0.494 468 A N 0.908 123.960 122.820 0.385 0.000 2.067 468 A HA -0.142 4.182 4.320 0.006 0.000 0.219 468 A C 1.971 179.653 177.584 0.163 0.000 1.158 468 A CA 1.694 53.858 52.037 0.211 0.000 0.661 468 A CB -0.607 18.461 19.000 0.113 0.000 0.801 468 A HN 0.488 nan 8.150 nan 0.000 0.452 469 R N -2.108 118.474 120.500 0.136 0.000 2.437 469 R HA 0.286 4.629 4.340 0.006 0.000 0.257 469 R C -0.010 176.282 176.300 -0.012 0.000 0.927 469 R CA 0.305 56.442 56.100 0.062 0.000 1.078 469 R CB 0.317 30.646 30.300 0.048 0.000 1.161 469 R HN 0.201 nan 8.270 nan 0.000 0.529 470 E N -0.601 119.557 120.200 -0.071 0.000 2.665 470 E HA 0.122 4.476 4.350 0.006 0.000 0.225 470 E C -0.192 176.065 176.600 -0.571 0.000 0.922 470 E CA 0.176 56.365 56.400 -0.352 0.000 1.242 470 E CB 0.508 29.881 29.700 -0.545 0.000 1.197 470 E HN 0.298 nan 8.360 nan 0.000 0.581 471 Y N -0.558 119.822 120.300 0.134 0.000 2.476 471 Y HA 0.237 4.790 4.550 0.005 0.000 0.274 471 Y C 2.026 178.021 175.900 0.157 0.000 1.120 471 Y CA -0.054 58.125 58.100 0.131 0.000 1.214 471 Y CB 0.209 38.739 38.460 0.118 0.000 1.285 471 Y HN -0.038 nan 8.280 nan 0.000 0.520 472 I N -1.930 118.839 120.570 0.333 0.000 2.585 472 I HA 0.152 4.325 4.170 0.006 0.000 0.254 472 I C -1.102 175.086 176.117 0.117 0.000 1.129 472 I CA 0.087 61.513 61.300 0.211 0.000 1.455 472 I CB -1.317 36.817 38.000 0.224 0.000 1.111 472 I HN -0.150 nan 8.210 nan 0.000 0.433 473 P HA -0.186 nan 4.420 nan 0.000 0.217 473 P C 1.342 178.679 177.300 0.061 0.000 1.148 473 P CA 1.895 65.043 63.100 0.080 0.000 0.834 473 P CB -0.050 31.686 31.700 0.060 0.000 0.783 474 K N -0.949 119.482 120.400 0.052 0.000 2.031 474 K HA -0.022 4.301 4.320 0.006 0.000 0.205 474 K C 2.154 178.766 176.600 0.020 0.000 1.049 474 K CA 0.991 57.300 56.287 0.037 0.000 0.939 474 K CB -0.635 31.887 32.500 0.037 0.000 0.717 474 K HN 0.161 nan 8.250 nan 0.000 0.438 475 I N 0.954 121.522 120.570 -0.003 0.000 2.439 475 I HA -0.108 4.065 4.170 0.006 0.000 0.251 475 I C 0.713 176.784 176.117 -0.078 0.000 1.139 475 I CA 0.812 62.064 61.300 -0.079 0.000 1.438 475 I CB 0.245 38.126 38.000 -0.199 0.000 1.085 475 I HN 0.132 nan 8.210 nan 0.000 0.427 476 M N 0.904 120.493 119.600 -0.018 0.000 3.376 476 M HA 0.141 4.625 4.480 0.006 0.000 0.218 476 M C 0.579 176.930 176.300 0.086 0.000 1.295 476 M CA 0.781 56.108 55.300 0.045 0.000 1.386 476 M CB -0.832 31.843 32.600 0.124 0.000 1.205 476 M HN 0.413 nan 8.290 nan 0.000 0.496 477 E N -0.016 120.224 120.200 0.067 0.000 1.974 477 E HA -0.013 4.341 4.350 0.006 0.000 0.196 477 E C 0.385 177.035 176.600 0.084 0.000 0.972 477 E CA 0.143 56.602 56.400 0.098 0.000 1.303 477 E CB 0.578 30.331 29.700 0.089 0.000 3.584 477 E HN 0.322 nan 8.360 nan 0.000 0.907 478 E N 1.445 121.676 120.200 0.053 0.000 2.476 478 E HA 0.081 4.435 4.350 0.006 0.000 0.196 478 E C 0.338 176.969 176.600 0.051 0.000 1.029 478 E CA 0.543 56.973 56.400 0.051 0.000 0.896 478 E CB 1.144 30.864 29.700 0.032 0.000 1.012 478 E HN 0.304 nan 8.360 nan 0.000 0.475 479 T N -1.436 113.146 114.554 0.047 0.000 2.882 479 T HA 0.116 4.469 4.350 0.006 0.000 0.287 479 T C 0.403 175.170 174.700 0.110 0.000 1.014 479 T CA -0.634 61.494 62.100 0.046 0.000 1.049 479 T CB 1.639 70.496 68.868 -0.018 0.000 1.001 479 T HN 0.066 nan 8.240 nan 0.000 0.525 480 H N 1.900 120.973 119.070 0.004 0.000 2.771 480 H HA -0.015 4.544 4.556 0.006 0.000 0.364 480 H C 1.285 176.647 175.328 0.057 0.000 1.133 480 H CA -0.054 56.000 56.048 0.011 0.000 1.423 480 H CB 0.504 30.201 29.762 -0.109 0.000 1.425 480 H HN 0.961 nan 8.280 nan 0.000 0.606 481 W N 3.981 125.109 121.300 -0.286 0.000 2.364 481 W HA -0.188 4.475 4.660 0.006 0.000 0.281 481 W C 1.224 177.867 176.519 0.207 0.000 1.219 481 W CA 1.390 58.754 57.345 0.033 0.000 1.220 481 W CB -1.349 28.067 29.460 -0.073 0.000 1.127 481 W HN 0.572 nan 8.180 nan 0.000 0.556 482 T N 0.469 114.708 114.554 -0.526 0.000 2.977 482 T HA -0.187 4.167 4.350 0.006 0.000 0.271 482 T C 1.922 176.587 174.700 -0.058 0.000 1.105 482 T CA 1.836 63.659 62.100 -0.462 0.000 1.116 482 T CB -1.100 67.447 68.868 -0.534 0.000 0.878 482 T HN 0.223 nan 8.240 nan 0.000 0.509 483 V N -2.581 117.324 119.914 -0.015 0.000 2.594 483 V HA -0.034 4.090 4.120 0.006 0.000 0.253 483 V C 2.174 178.243 176.094 -0.042 0.000 1.069 483 V CA 0.745 63.011 62.300 -0.057 0.000 1.082 483 V CB -1.500 30.231 31.823 -0.152 0.000 0.680 483 V HN 0.627 nan 8.190 nan 0.000 0.469 484 W N 0.262 121.659 121.300 0.162 0.000 2.465 484 W HA 0.149 4.813 4.660 0.006 0.000 0.268 484 W C 2.287 178.941 176.519 0.225 0.000 1.242 484 W CA 0.901 58.360 57.345 0.189 0.000 1.248 484 W CB -0.334 29.242 29.460 0.194 0.000 1.118 484 W HN 0.222 nan 8.180 nan 0.000 0.587 485 I N -0.568 120.231 120.570 0.382 0.000 2.202 485 I HA -0.270 3.903 4.170 0.006 0.000 0.242 485 I C 2.240 178.574 176.117 0.362 0.000 1.091 485 I CA 1.408 62.916 61.300 0.346 0.000 1.368 485 I CB -0.965 37.161 38.000 0.209 0.000 1.058 485 I HN -0.151 nan 8.210 nan 0.000 0.410 486 T N 0.476 115.180 114.554 0.250 0.000 2.777 486 T HA -0.099 4.254 4.350 0.006 0.000 0.266 486 T C 2.028 176.889 174.700 0.269 0.000 1.040 486 T CA 1.098 63.347 62.100 0.248 0.000 1.141 486 T CB -0.188 68.783 68.868 0.172 0.000 0.868 486 T HN 0.272 nan 8.240 nan 0.000 0.444 487 R N 0.190 120.809 120.500 0.199 0.000 2.083 487 R HA -0.058 4.286 4.340 0.006 0.000 0.237 487 R C 2.211 178.649 176.300 0.230 0.000 1.137 487 R CA 1.529 57.689 56.100 0.100 0.000 0.951 487 R CB -0.620 29.647 30.300 -0.056 0.000 0.851 487 R HN 0.353 nan 8.270 nan 0.000 0.434 488 F N 0.635 120.725 119.950 0.232 0.000 2.069 488 F HA -0.299 4.232 4.527 0.006 0.000 0.298 488 F C 2.215 178.141 175.800 0.209 0.000 1.113 488 F CA 1.482 59.614 58.000 0.221 0.000 1.214 488 F CB -0.646 38.503 39.000 0.248 0.000 0.978 488 F HN -0.018 nan 8.300 nan 0.000 0.474 489 Y N 1.524 121.879 120.300 0.092 0.000 2.181 489 Y HA -0.195 4.359 4.550 0.006 0.000 0.288 489 Y C 2.304 178.222 175.900 0.031 0.000 1.146 489 Y CA 2.270 60.356 58.100 -0.023 0.000 1.164 489 Y CB -0.705 37.828 38.460 0.122 0.000 0.982 489 Y HN 0.293 nan 8.280 nan 0.000 0.515 490 I N -2.406 118.222 120.570 0.097 0.000 2.676 490 I HA -0.128 4.045 4.170 0.006 0.000 0.259 490 I C 1.938 178.213 176.117 0.263 0.000 1.194 490 I CA 1.244 62.659 61.300 0.193 0.000 1.473 490 I CB -0.592 37.626 38.000 0.364 0.000 1.096 490 I HN 0.153 nan 8.210 nan 0.000 0.443 491 I N 2.284 122.876 120.570 0.036 0.000 2.353 491 I HA -0.103 4.070 4.170 0.006 0.000 0.248 491 I C 2.766 178.827 176.117 -0.093 0.000 1.119 491 I CA 1.432 62.689 61.300 -0.071 0.000 1.417 491 I CB -0.694 37.243 38.000 -0.106 0.000 1.078 491 I HN 0.355 nan 8.210 nan 0.000 0.421 492 G N 1.061 109.711 108.800 -0.250 0.000 2.422 492 G HA2 -0.182 3.781 3.960 0.006 0.000 0.218 492 G HA3 -0.182 3.781 3.960 0.006 0.000 0.218 492 G C 1.712 176.532 174.900 -0.134 0.000 1.146 492 G CA 0.401 45.333 45.100 -0.281 0.000 0.769 492 G HN 0.250 nan 8.290 nan 0.000 0.547 493 L N -0.909 120.235 121.223 -0.131 0.000 2.083 493 L HA -0.006 4.338 4.340 0.006 0.000 0.209 493 L C 2.548 179.561 176.870 0.238 0.000 1.083 493 L CA 0.939 55.823 54.840 0.074 0.000 0.752 493 L CB -0.397 41.716 42.059 0.090 0.000 0.899 493 L HN 0.243 nan 8.230 nan 0.000 0.433 494 F N 0.605 120.580 119.950 0.043 0.000 2.134 494 F HA -0.220 4.310 4.527 0.006 0.000 0.299 494 F C 2.240 177.924 175.800 -0.193 0.000 1.097 494 F CA 1.463 59.312 58.000 -0.252 0.000 1.264 494 F CB -0.054 38.517 39.000 -0.715 0.000 1.001 494 F HN -0.116 nan 8.300 nan 0.000 0.479 495 L N -1.053 120.204 121.223 0.056 0.000 2.083 495 L HA -0.216 4.128 4.340 0.006 0.000 0.209 495 L C 2.404 179.278 176.870 0.007 0.000 1.083 495 L CA 1.320 56.168 54.840 0.013 0.000 0.752 495 L CB -0.972 41.090 42.059 0.004 0.000 0.899 495 L HN 0.241 nan 8.230 nan 0.000 0.433 496 F N 1.006 120.896 119.950 -0.100 0.000 2.102 496 F HA -0.203 4.327 4.527 0.006 0.000 0.298 496 F C 2.139 177.904 175.800 -0.057 0.000 1.105 496 F CA 1.523 59.494 58.000 -0.048 0.000 1.239 496 F CB -0.344 38.620 39.000 -0.061 0.000 0.991 496 F HN -0.134 nan 8.300 nan 0.000 0.474 497 L N -0.411 120.559 121.223 -0.421 0.000 2.141 497 L HA -0.193 4.151 4.340 0.006 0.000 0.209 497 L C 2.329 178.850 176.870 -0.582 0.000 1.094 497 L CA 1.636 56.084 54.840 -0.653 0.000 0.763 497 L CB -1.156 40.576 42.059 -0.544 0.000 0.908 497 L HN 0.155 nan 8.230 nan 0.000 0.437 498 T N -0.336 113.922 114.554 -0.493 0.000 2.821 498 T HA -0.196 4.158 4.350 0.006 0.000 0.267 498 T C 1.604 176.222 174.700 -0.138 0.000 1.046 498 T CA 1.230 63.119 62.100 -0.352 0.000 1.139 498 T CB -0.302 68.404 68.868 -0.269 0.000 0.871 498 T HN 0.207 nan 8.240 nan 0.000 0.454 499 F N 1.752 121.559 119.950 -0.238 0.000 2.171 499 F HA 0.045 4.575 4.527 0.006 0.000 0.300 499 F C 1.835 177.587 175.800 -0.080 0.000 1.090 499 F CA 0.853 58.775 58.000 -0.129 0.000 1.293 499 F CB -0.493 38.434 39.000 -0.122 0.000 1.013 499 F HN 0.067 nan 8.300 nan 0.000 0.486 500 L N -0.964 120.055 121.223 -0.339 0.000 2.093 500 L HA -0.186 4.157 4.340 0.006 0.000 0.208 500 L C 2.346 179.156 176.870 -0.099 0.000 1.085 500 L CA 0.833 55.484 54.840 -0.315 0.000 0.755 500 L CB -0.860 40.991 42.059 -0.347 0.000 0.904 500 L HN -0.011 nan 8.230 nan 0.000 0.435 501 V N -0.329 119.508 119.914 -0.128 0.000 2.427 501 V HA -0.301 3.822 4.120 0.006 0.000 0.248 501 V C 2.234 178.284 176.094 -0.072 0.000 1.051 501 V CA 1.773 64.060 62.300 -0.021 0.000 1.048 501 V CB -0.576 31.156 31.823 -0.152 0.000 0.666 501 V HN 0.359 nan 8.190 nan 0.000 0.456 502 F N 0.445 120.251 119.950 -0.239 0.000 2.134 502 F HA -0.161 4.369 4.527 0.006 0.000 0.299 502 F C 2.016 177.645 175.800 -0.285 0.000 1.097 502 F CA 1.685 59.543 58.000 -0.236 0.000 1.264 502 F CB -0.192 38.678 39.000 -0.217 0.000 1.001 502 F HN 0.030 nan 8.300 nan 0.000 0.479 503 L N -0.050 120.952 121.223 -0.368 0.000 2.093 503 L HA -0.160 4.184 4.340 0.006 0.000 0.208 503 L C 2.803 179.468 176.870 -0.342 0.000 1.085 503 L CA 1.038 55.623 54.840 -0.425 0.000 0.755 503 L CB -1.209 40.597 42.059 -0.421 0.000 0.904 503 L HN 0.275 nan 8.230 nan 0.000 0.435 504 A N 0.898 123.567 122.820 -0.253 0.000 1.933 504 A HA -0.213 4.110 4.320 0.006 0.000 0.218 504 A C 2.167 179.610 177.584 -0.235 0.000 1.175 504 A CA 1.689 53.590 52.037 -0.225 0.000 0.628 504 A CB -0.422 18.474 19.000 -0.173 0.000 0.814 504 A HN 0.633 nan 8.150 nan 0.000 0.444 505 E N -1.012 119.019 120.200 -0.282 0.000 2.152 505 E HA -0.136 4.217 4.350 0.006 0.000 0.192 505 E C 1.878 178.299 176.600 -0.298 0.000 0.983 505 E CA 0.559 56.788 56.400 -0.285 0.000 0.818 505 E CB -0.224 29.287 29.700 -0.315 0.000 0.758 505 E HN 0.290 nan 8.360 nan 0.000 0.467 506 R N 0.991 121.247 120.500 -0.407 0.000 2.115 506 R HA 0.035 4.378 4.340 0.006 0.000 0.226 506 R C 2.263 178.451 176.300 -0.187 0.000 1.100 506 R CA 0.950 56.847 56.100 -0.337 0.000 0.980 506 R CB -0.595 29.431 30.300 -0.458 0.000 0.875 506 R HN 0.251 nan 8.270 nan 0.000 0.445 507 R N 0.840 121.223 120.500 -0.195 0.000 2.092 507 R HA -0.044 4.300 4.340 0.006 0.000 0.231 507 R C 2.277 178.533 176.300 -0.073 0.000 1.119 507 R CA 1.160 57.178 56.100 -0.137 0.000 0.970 507 R CB -0.056 30.144 30.300 -0.166 0.000 0.864 507 R HN 0.060 nan 8.270 nan 0.000 0.440 508 R N 0.489 120.931 120.500 -0.096 0.000 2.073 508 R HA -0.103 4.240 4.340 0.006 0.000 0.234 508 R C 1.695 177.975 176.300 -0.033 0.000 1.134 508 R CA 2.103 58.168 56.100 -0.059 0.000 0.952 508 R CB -0.304 29.952 30.300 -0.074 0.000 0.850 508 R HN 0.404 nan 8.270 nan 0.000 0.433 509 N N -0.515 118.154 118.700 -0.051 0.000 2.069 509 N HA -0.240 4.503 4.740 0.006 0.000 0.191 509 N C 1.949 177.455 175.510 -0.008 0.000 1.031 509 N CA 1.149 54.177 53.050 -0.037 0.000 0.852 509 N CB -0.348 38.102 38.487 -0.062 0.000 1.018 509 N HN 0.327 nan 8.380 nan 0.000 0.423 510 H N 1.448 120.470 119.070 -0.080 0.000 2.353 510 H HA -0.069 4.491 4.556 0.006 0.000 0.300 510 H C 1.905 177.203 175.328 -0.051 0.000 1.090 510 H CA 1.300 57.310 56.048 -0.063 0.000 1.327 510 H CB 0.129 29.849 29.762 -0.069 0.000 1.383 510 H HN 0.198 nan 8.280 nan 0.000 0.508 511 E N 0.601 120.898 120.200 0.162 0.000 2.047 511 E HA -0.097 4.256 4.350 0.006 0.000 0.191 511 E C 2.430 179.034 176.600 0.007 0.000 0.987 511 E CA 1.028 57.488 56.400 0.100 0.000 0.799 511 E CB 0.020 29.747 29.700 0.046 0.000 0.752 511 E HN 0.407 nan 8.360 nan 0.000 0.449 512 S N 0.792 116.487 115.700 -0.009 0.000 2.351 512 S HA -0.175 4.298 4.470 0.006 0.000 0.220 512 S C 2.072 176.644 174.600 -0.046 0.000 1.035 512 S CA 1.425 59.612 58.200 -0.022 0.000 1.031 512 S CB -0.460 62.731 63.200 -0.015 0.000 0.928 512 S HN 0.475 nan 8.310 nan 0.000 0.433 513 A N 0.922 123.696 122.820 -0.076 0.000 2.131 513 A HA 0.053 4.376 4.320 0.006 0.000 0.220 513 A C 2.062 179.574 177.584 -0.121 0.000 1.158 513 A CA 1.572 53.548 52.037 -0.102 0.000 0.665 513 A CB -0.909 18.008 19.000 -0.138 0.000 0.795 513 A HN 0.543 nan 8.150 nan 0.000 0.460 514 G N -1.223 107.503 108.800 -0.123 0.000 2.838 514 G HA2 0.265 4.228 3.960 0.006 0.000 0.210 514 G HA3 0.265 4.228 3.960 0.006 0.000 0.210 514 G C 0.885 175.756 174.900 -0.049 0.000 1.153 514 G CA 1.065 46.105 45.100 -0.099 0.000 0.778 514 G HN 0.678 nan 8.290 nan 0.000 0.539 515 T N 0.000 114.531 114.554 -0.038 0.000 3.816 515 T HA 0.000 4.353 4.350 0.006 0.000 0.228 515 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 515 T CB 0.000 68.859 68.868 -0.016 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658