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 2c78_1_A DATA FIRST_RESID 9 DATA SEQUENCE KPHVNVGTIG HVDHGKTTLT AALTYVAAAE NPNVEVKDYG DIDKAPEERA DATA SEQUENCE RGITINTAHV EYETAKRHYS HVDCPGHADY IKNMITGAAQ MDGAILVVSA DATA SEQUENCE ADGPMPQTRE HILLARQVGV PYIVVFMNKV DMVDDPELLD LVEMEVRDLL DATA SEQUENCE NQYEFPGDEV PVIRGSALLA LEQMHRNPKT RRGENEWVDK IWELLDAIDE DATA SEQUENCE YIPTPVRDVD KPFLMPVEDV FTITGRGTVA TGRIERGKVK VGDEVEIVGL DATA SEQUENCE APETRKTVVT GVEMHRKTLQ EGIAGDNVGV LLRGVSREEV ERGQVLAKPG DATA SEQUENCE SITPHTKFEA SVYVLKKEEG GRHTGFFSGY RPQFYFRTTD VTGVVQLPPG DATA SEQUENCE VEMVMPGDNV TFTVELIKPV ALEEGLRFAI REGGRTVGAG VVTKILE 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.637 176.600 0.061 0.000 0.988 9 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 9 K CB 0.000 32.335 32.500 -0.275 0.000 1.064 10 P HA -0.005 nan 4.420 nan 0.000 0.269 10 P C -1.030 176.279 177.300 0.014 0.000 1.215 10 P CA -0.090 63.023 63.100 0.021 0.000 0.780 10 P CB 0.348 32.035 31.700 -0.022 0.000 0.898 11 H N 1.246 120.298 119.070 -0.030 0.000 2.473 11 H HA 0.566 5.122 4.556 -0.000 0.000 0.327 11 H C -1.025 174.248 175.328 -0.091 0.000 1.105 11 H CA -0.351 55.666 56.048 -0.052 0.000 1.280 11 H CB 0.582 30.336 29.762 -0.013 0.000 1.450 11 H HN 0.024 nan 8.280 nan 0.000 0.492 12 V N 5.069 124.508 119.914 -0.790 0.000 2.841 12 V HA 0.245 4.364 4.120 -0.001 0.000 0.310 12 V C -0.676 175.167 176.094 -0.419 0.000 1.090 12 V CA -1.202 60.826 62.300 -0.453 0.000 0.930 12 V CB 2.133 33.781 31.823 -0.292 0.000 1.014 12 V HN 0.846 nan 8.190 nan 0.000 0.425 13 N N 2.620 121.232 118.700 -0.147 0.000 2.419 13 N HA 0.702 5.441 4.740 -0.001 0.000 0.277 13 N C -0.347 175.168 175.510 0.008 0.000 1.006 13 N CA -0.146 52.880 53.050 -0.041 0.000 0.923 13 N CB 2.326 40.833 38.487 0.033 0.000 1.140 13 N HN 0.680 nan 8.380 nan 0.000 0.488 14 V N -1.257 118.637 119.914 -0.034 0.000 3.119 14 V HA 1.062 5.182 4.120 -0.001 0.000 0.311 14 V C 0.302 176.200 176.094 -0.327 0.000 1.259 14 V CA -0.787 61.443 62.300 -0.116 0.000 1.067 14 V CB 1.578 33.339 31.823 -0.103 0.000 1.123 14 V HN 0.703 nan 8.190 nan 0.000 0.463 15 G N -0.382 108.129 108.800 -0.482 0.000 2.441 15 G HA2 0.634 4.594 3.960 -0.001 0.000 0.294 15 G HA3 0.634 4.594 3.960 -0.001 0.000 0.294 15 G C -0.937 173.690 174.900 -0.454 0.000 1.393 15 G CA 0.051 44.740 45.100 -0.685 0.000 0.796 15 G HN 1.532 nan 8.290 nan 0.000 0.494 16 T N -0.807 113.609 114.554 -0.231 0.000 2.807 16 T HA 0.737 5.086 4.350 -0.001 0.000 0.279 16 T C 0.098 174.801 174.700 0.005 0.000 0.993 16 T CA -0.506 61.582 62.100 -0.021 0.000 0.970 16 T CB 1.376 70.332 68.868 0.146 0.000 0.950 16 T HN 1.257 nan 8.240 nan 0.000 0.441 17 I N -1.172 119.421 120.570 0.038 0.000 3.145 17 I HA 0.992 5.162 4.170 -0.001 0.000 0.313 17 I C 0.050 176.284 176.117 0.194 0.000 1.122 17 I CA -1.211 60.160 61.300 0.120 0.000 0.987 17 I CB 2.026 40.054 38.000 0.046 0.000 1.236 17 I HN 1.118 nan 8.210 nan 0.000 0.453 18 G N 0.642 109.653 108.800 0.353 0.000 2.339 18 G HA2 0.095 4.054 3.960 -0.001 0.000 0.381 18 G HA3 0.095 4.054 3.960 -0.001 0.000 0.381 18 G C -1.581 173.208 174.900 -0.184 0.000 1.400 18 G CA -0.902 44.225 45.100 0.045 0.000 1.002 18 G HN 1.178 nan 8.290 nan 0.000 0.633 19 H N -0.813 117.993 119.070 -0.440 0.000 2.929 19 H HA 0.365 4.921 4.556 -0.001 0.000 0.358 19 H C 1.230 176.317 175.328 -0.401 0.000 1.111 19 H CA 1.063 56.765 56.048 -0.577 0.000 1.409 19 H CB 1.157 30.387 29.762 -0.886 0.000 1.373 19 H HN 0.941 nan 8.280 nan 0.000 0.610 20 V N 4.778 124.256 119.914 -0.727 0.000 2.720 20 V HA -0.110 4.009 4.120 -0.001 0.000 0.307 20 V C 0.275 176.356 176.094 -0.021 0.000 1.071 20 V CA 1.217 63.341 62.300 -0.294 0.000 1.199 20 V CB -0.115 31.521 31.823 -0.311 0.000 0.900 20 V HN 1.164 nan 8.190 nan 0.000 0.494 21 D N 2.850 123.308 120.400 0.097 0.000 3.046 21 D HA -0.217 4.423 4.640 -0.001 0.000 0.210 21 D C 0.937 177.407 176.300 0.283 0.000 1.124 21 D CA 1.762 55.873 54.000 0.185 0.000 0.986 21 D CB -1.233 39.672 40.800 0.174 0.000 1.118 21 D HN 0.973 nan 8.370 nan 0.000 0.416 22 H N -0.449 118.677 119.070 0.093 0.000 2.546 22 H HA 0.170 4.725 4.556 -0.001 0.000 0.277 22 H C 1.898 177.280 175.328 0.090 0.000 1.004 22 H CA 0.898 57.001 56.048 0.092 0.000 1.231 22 H CB 0.465 30.289 29.762 0.103 0.000 1.382 22 H HN 0.399 nan 8.280 nan 0.000 0.580 23 G N 0.583 109.505 108.800 0.204 0.000 2.155 23 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.130 23 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.130 23 G C 0.919 175.892 174.900 0.121 0.000 1.027 23 G CA 0.014 45.200 45.100 0.145 0.000 0.705 23 G HN 0.244 nan 8.290 nan 0.000 0.496 24 K N -0.055 120.422 120.400 0.128 0.000 2.044 24 K HA -0.091 4.228 4.320 -0.001 0.000 0.210 24 K C 2.496 179.137 176.600 0.067 0.000 1.049 24 K CA 2.024 58.370 56.287 0.098 0.000 0.927 24 K CB -0.266 32.296 32.500 0.104 0.000 0.713 24 K HN 0.313 nan 8.250 nan 0.000 0.443 25 T N 0.502 115.102 114.554 0.077 0.000 2.857 25 T HA -0.082 4.268 4.350 -0.001 0.000 0.266 25 T C 1.932 176.686 174.700 0.089 0.000 1.048 25 T CA 1.554 63.666 62.100 0.021 0.000 1.139 25 T CB -0.265 68.539 68.868 -0.107 0.000 0.874 25 T HN 0.262 nan 8.240 nan 0.000 0.455 26 T N 2.482 117.160 114.554 0.206 0.000 2.788 26 T HA -0.018 4.331 4.350 -0.001 0.000 0.268 26 T C 1.869 176.560 174.700 -0.016 0.000 1.044 26 T CA 0.728 62.923 62.100 0.158 0.000 1.139 26 T CB -0.401 68.514 68.868 0.079 0.000 0.867 26 T HN 0.114 nan 8.240 nan 0.000 0.454 27 L N 1.171 122.352 121.223 -0.070 0.000 2.093 27 L HA -0.043 4.297 4.340 -0.001 0.000 0.208 27 L C 2.447 179.170 176.870 -0.244 0.000 1.085 27 L CA 1.781 56.489 54.840 -0.221 0.000 0.755 27 L CB -1.207 40.684 42.059 -0.280 0.000 0.904 27 L HN 0.160 nan 8.230 nan 0.000 0.435 28 T N -0.056 114.385 114.554 -0.188 0.000 2.708 28 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 28 T C 1.922 176.478 174.700 -0.239 0.000 1.037 28 T CA 1.429 63.337 62.100 -0.319 0.000 1.146 28 T CB -0.575 68.122 68.868 -0.286 0.000 0.865 28 T HN 0.531 nan 8.240 nan 0.000 0.435 29 A N 1.573 124.330 122.820 -0.104 0.000 1.877 29 A HA 0.115 4.435 4.320 -0.001 0.000 0.216 29 A C 2.684 180.258 177.584 -0.017 0.000 1.186 29 A CA 1.952 53.987 52.037 -0.003 0.000 0.620 29 A CB -1.234 17.824 19.000 0.096 0.000 0.822 29 A HN 0.512 nan 8.150 nan 0.000 0.443 30 A N -0.360 122.388 122.820 -0.121 0.000 1.908 30 A HA -0.101 4.219 4.320 -0.001 0.000 0.218 30 A C 2.190 179.622 177.584 -0.253 0.000 1.181 30 A CA 1.618 53.549 52.037 -0.177 0.000 0.627 30 A CB -0.662 18.201 19.000 -0.228 0.000 0.818 30 A HN 0.484 nan 8.150 nan 0.000 0.445 31 L N -0.158 120.833 121.223 -0.387 0.000 2.042 31 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 31 L C 3.115 179.637 176.870 -0.580 0.000 1.076 31 L CA 1.998 56.469 54.840 -0.615 0.000 0.749 31 L CB -0.854 40.685 42.059 -0.866 0.000 0.893 31 L HN 0.701 nan 8.230 nan 0.000 0.432 32 T N -3.404 110.924 114.554 -0.376 0.000 2.746 32 T HA -0.248 4.102 4.350 -0.001 0.000 0.267 32 T C 1.786 176.367 174.700 -0.197 0.000 1.039 32 T CA 1.221 63.184 62.100 -0.229 0.000 1.142 32 T CB -0.687 68.103 68.868 -0.129 0.000 0.866 32 T HN 0.221 nan 8.240 nan 0.000 0.444 33 Y N 1.250 121.440 120.300 -0.184 0.000 2.200 33 Y HA 0.017 4.567 4.550 -0.000 0.000 0.290 33 Y C 2.907 178.716 175.900 -0.152 0.000 1.137 33 Y CA 1.028 59.048 58.100 -0.135 0.000 1.163 33 Y CB -0.506 37.861 38.460 -0.155 0.000 0.988 33 Y HN 0.056 nan 8.280 nan 0.000 0.518 34 V N -0.453 119.395 119.914 -0.110 0.000 2.295 34 V HA -0.337 3.783 4.120 -0.001 0.000 0.246 34 V C 2.458 178.387 176.094 -0.275 0.000 1.049 34 V CA 1.784 63.931 62.300 -0.255 0.000 1.024 34 V CB -1.331 30.159 31.823 -0.555 0.000 0.648 34 V HN 0.463 nan 8.190 nan 0.000 0.447 35 A N -0.077 122.528 122.820 -0.357 0.000 1.972 35 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 35 A C 2.354 179.977 177.584 0.066 0.000 1.169 35 A CA 1.866 53.804 52.037 -0.165 0.000 0.635 35 A CB -0.659 18.251 19.000 -0.150 0.000 0.810 35 A HN 0.581 nan 8.150 nan 0.000 0.446 36 A N -0.340 122.486 122.820 0.011 0.000 2.067 36 A HA 0.259 4.578 4.320 -0.001 0.000 0.219 36 A C 2.341 179.980 177.584 0.091 0.000 1.158 36 A CA 1.597 53.657 52.037 0.038 0.000 0.661 36 A CB -0.702 18.267 19.000 -0.051 0.000 0.801 36 A HN 0.960 nan 8.150 nan 0.000 0.452 37 A N -0.483 122.420 122.820 0.138 0.000 1.969 37 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 37 A C 1.836 179.529 177.584 0.181 0.000 1.169 37 A CA 1.574 53.712 52.037 0.168 0.000 0.635 37 A CB -0.263 18.866 19.000 0.216 0.000 0.810 37 A HN 0.574 nan 8.150 nan 0.000 0.445 38 E N -1.022 119.331 120.200 0.254 0.000 2.474 38 E HA 0.054 4.404 4.350 -0.001 0.000 0.195 38 E C -0.527 176.166 176.600 0.155 0.000 1.039 38 E CA -0.230 56.293 56.400 0.205 0.000 0.881 38 E CB 0.271 30.133 29.700 0.269 0.000 0.970 38 E HN 0.429 nan 8.360 nan 0.000 0.486 39 N N 0.039 118.825 118.700 0.144 0.000 2.599 39 N HA 0.079 4.819 4.740 -0.001 0.000 0.283 39 N C -2.435 173.128 175.510 0.088 0.000 1.160 39 N CA -1.345 51.773 53.050 0.113 0.000 0.869 39 N CB 1.653 40.221 38.487 0.135 0.000 1.448 39 N HN -0.185 nan 8.380 nan 0.000 0.535 40 P HA -0.038 nan 4.420 nan 0.000 0.231 40 P C 0.215 177.544 177.300 0.049 0.000 1.158 40 P CA 0.912 64.043 63.100 0.052 0.000 0.763 40 P CB 0.398 32.125 31.700 0.045 0.000 0.805 41 N N -0.689 118.051 118.700 0.068 0.000 2.424 41 N HA 0.035 4.775 4.740 -0.001 0.000 0.178 41 N C 0.138 175.690 175.510 0.070 0.000 1.060 41 N CA -0.192 52.900 53.050 0.071 0.000 0.901 41 N CB 0.221 38.769 38.487 0.102 0.000 0.979 41 N HN -0.017 nan 8.380 nan 0.000 0.451 42 V N 2.393 122.353 119.914 0.076 0.000 2.555 42 V HA 0.039 4.159 4.120 -0.001 0.000 0.286 42 V C 0.145 176.243 176.094 0.007 0.000 1.044 42 V CA 0.055 62.396 62.300 0.069 0.000 1.026 42 V CB 1.020 32.894 31.823 0.086 0.000 0.981 42 V HN 0.147 nan 8.190 nan 0.000 0.480 43 E N 3.281 123.479 120.200 -0.003 0.000 2.167 43 E HA 0.347 4.697 4.350 -0.001 0.000 0.284 43 E C -0.241 176.290 176.600 -0.116 0.000 1.016 43 E CA -0.518 55.852 56.400 -0.050 0.000 0.817 43 E CB 1.740 31.424 29.700 -0.027 0.000 1.080 43 E HN 0.665 nan 8.360 nan 0.000 0.397 44 V N 1.284 121.054 119.914 -0.240 0.000 2.811 44 V HA 0.277 4.396 4.120 -0.001 0.000 0.302 44 V C -0.197 175.720 176.094 -0.296 0.000 1.063 44 V CA -0.369 61.636 62.300 -0.491 0.000 1.088 44 V CB 0.752 31.898 31.823 -1.129 0.000 0.982 44 V HN 0.472 nan 8.190 nan 0.000 0.485 45 K N 2.787 123.071 120.400 -0.194 0.000 2.426 45 K HA 0.496 4.816 4.320 -0.001 0.000 0.254 45 K C -1.072 175.652 176.600 0.207 0.000 0.936 45 K CA -0.495 55.799 56.287 0.011 0.000 0.801 45 K CB 1.893 34.394 32.500 0.001 0.000 1.139 45 K HN 0.828 nan 8.250 nan 0.000 0.424 46 D N 0.874 121.427 120.400 0.255 0.000 2.354 46 D HA 0.017 4.657 4.640 -0.001 0.000 0.247 46 D C 1.253 177.685 176.300 0.220 0.000 1.138 46 D CA -0.227 53.970 54.000 0.328 0.000 0.958 46 D CB 0.660 41.627 40.800 0.278 0.000 1.144 46 D HN 0.464 nan 8.370 nan 0.000 0.458 47 Y N 1.284 121.642 120.300 0.097 0.000 2.102 47 Y HA -0.231 4.319 4.550 -0.001 0.000 0.280 47 Y C 2.154 178.075 175.900 0.035 0.000 1.178 47 Y CA 2.465 60.592 58.100 0.045 0.000 1.146 47 Y CB -0.333 38.147 38.460 0.033 0.000 0.968 47 Y HN 0.496 nan 8.280 nan 0.000 0.504 48 G N -0.915 108.000 108.800 0.191 0.000 2.559 48 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.216 48 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.216 48 G C 1.097 176.001 174.900 0.005 0.000 1.126 48 G CA 0.944 46.090 45.100 0.077 0.000 0.778 48 G HN 0.443 nan 8.290 nan 0.000 0.543 49 D N 0.012 120.422 120.400 0.016 0.000 2.348 49 D HA 0.095 4.735 4.640 -0.001 0.000 0.211 49 D C 2.234 178.514 176.300 -0.033 0.000 0.998 49 D CA 0.150 54.152 54.000 0.003 0.000 0.873 49 D CB 0.485 41.301 40.800 0.028 0.000 0.925 49 D HN 0.408 nan 8.370 nan 0.000 0.524 50 I N 0.205 120.726 120.570 -0.082 0.000 2.681 50 I HA -0.042 4.128 4.170 -0.001 0.000 0.247 50 I C 0.281 176.307 176.117 -0.150 0.000 1.091 50 I CA 0.299 61.534 61.300 -0.108 0.000 1.442 50 I CB 0.276 38.196 38.000 -0.134 0.000 1.219 50 I HN -0.314 nan 8.210 nan 0.000 0.451 51 D N 2.490 122.731 120.400 -0.265 0.000 2.619 51 D HA 0.043 4.683 4.640 -0.001 0.000 0.224 51 D C 1.050 177.265 176.300 -0.141 0.000 1.133 51 D CA 0.157 54.012 54.000 -0.241 0.000 1.017 51 D CB 0.306 40.871 40.800 -0.391 0.000 1.077 51 D HN 0.420 nan 8.370 nan 0.000 0.503 52 K N -0.238 120.108 120.400 -0.089 0.000 2.379 52 K HA 0.268 4.588 4.320 -0.001 0.000 0.194 52 K C 0.791 177.369 176.600 -0.036 0.000 1.031 52 K CA -0.297 55.961 56.287 -0.049 0.000 1.037 52 K CB 0.584 33.063 32.500 -0.035 0.000 0.824 52 K HN 0.087 nan 8.250 nan 0.000 0.516 53 A N 2.746 125.538 122.820 -0.047 0.000 2.407 53 A HA 0.236 4.555 4.320 -0.001 0.000 0.248 53 A C -1.700 175.868 177.584 -0.026 0.000 1.082 53 A CA -1.368 50.646 52.037 -0.037 0.000 0.785 53 A CB 0.305 19.274 19.000 -0.051 0.000 1.020 53 A HN 0.015 nan 8.150 nan 0.000 0.489 54 P HA -0.212 nan 4.420 nan 0.000 0.216 54 P C 1.319 178.616 177.300 -0.004 0.000 1.154 54 P CA 1.801 64.897 63.100 -0.006 0.000 0.865 54 P CB 0.234 31.933 31.700 -0.003 0.000 0.789 55 E N -0.331 119.863 120.200 -0.011 0.000 2.106 55 E HA -0.206 4.144 4.350 -0.001 0.000 0.192 55 E C 1.796 178.389 176.600 -0.011 0.000 0.984 55 E CA 0.965 57.360 56.400 -0.008 0.000 0.806 55 E CB -0.150 29.543 29.700 -0.011 0.000 0.750 55 E HN 0.316 nan 8.360 nan 0.000 0.458 56 E N -0.020 120.162 120.200 -0.031 0.000 2.072 56 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 56 E C 2.243 178.845 176.600 0.002 0.000 0.985 56 E CA 0.723 57.102 56.400 -0.036 0.000 0.801 56 E CB 0.024 29.678 29.700 -0.078 0.000 0.750 56 E HN 0.164 nan 8.360 nan 0.000 0.452 57 R N 0.514 121.019 120.500 0.008 0.000 2.092 57 R HA -0.040 4.300 4.340 -0.001 0.000 0.231 57 R C 2.379 178.707 176.300 0.048 0.000 1.119 57 R CA 0.988 57.113 56.100 0.042 0.000 0.970 57 R CB -0.240 30.079 30.300 0.032 0.000 0.864 57 R HN 0.090 nan 8.270 nan 0.000 0.440 58 A N 1.324 124.162 122.820 0.029 0.000 1.865 58 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 58 A C 1.829 179.434 177.584 0.035 0.000 1.191 58 A CA 1.315 53.368 52.037 0.028 0.000 0.623 58 A CB -0.221 18.790 19.000 0.018 0.000 0.826 58 A HN 0.217 nan 8.150 nan 0.000 0.444 59 R N -1.380 119.142 120.500 0.037 0.000 2.393 59 R HA 0.272 4.612 4.340 -0.001 0.000 0.244 59 R C 0.756 177.095 176.300 0.065 0.000 0.920 59 R CA 0.399 56.525 56.100 0.043 0.000 1.076 59 R CB 0.110 30.429 30.300 0.033 0.000 1.119 59 R HN 0.649 nan 8.270 nan 0.000 0.524 60 G N 2.669 111.522 108.800 0.088 0.000 2.359 60 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.298 60 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.298 60 G C -0.203 174.777 174.900 0.134 0.000 1.030 60 G CA 0.427 45.615 45.100 0.147 0.000 1.149 60 G HN 0.420 nan 8.290 nan 0.000 0.512 61 I N -0.370 120.249 120.570 0.081 0.000 2.752 61 I HA 0.515 4.685 4.170 -0.001 0.000 0.295 61 I C -0.014 176.100 176.117 -0.004 0.000 1.219 61 I CA -0.808 60.532 61.300 0.065 0.000 1.030 61 I CB 1.866 39.910 38.000 0.072 0.000 1.259 61 I HN 0.058 nan 8.210 nan 0.000 0.423 62 T N 7.268 121.818 114.554 -0.007 0.000 2.832 62 T HA 0.425 4.775 4.350 -0.001 0.000 0.296 62 T C 0.934 175.529 174.700 -0.174 0.000 0.968 62 T CA 0.052 62.103 62.100 -0.081 0.000 1.107 62 T CB 1.098 69.938 68.868 -0.047 0.000 0.916 62 T HN 0.419 nan 8.240 nan 0.000 0.517 63 I N 2.151 122.525 120.570 -0.326 0.000 3.345 63 I HA 0.150 4.320 4.170 -0.001 0.000 0.258 63 I C 0.548 176.342 176.117 -0.537 0.000 1.134 63 I CA -0.057 60.783 61.300 -0.766 0.000 1.457 63 I CB 0.227 37.841 38.000 -0.643 0.000 1.425 63 I HN 0.496 nan 8.210 nan 0.000 0.461 64 N N 1.010 119.543 118.700 -0.278 0.000 2.509 64 N HA 0.238 4.978 4.740 -0.001 0.000 0.287 64 N C -0.319 175.149 175.510 -0.071 0.000 1.121 64 N CA -0.390 52.575 53.050 -0.140 0.000 0.977 64 N CB 0.961 39.399 38.487 -0.081 0.000 1.167 64 N HN 0.128 nan 8.380 nan 0.000 0.476 65 T N -1.127 113.420 114.554 -0.012 0.000 2.926 65 T HA 0.487 4.837 4.350 -0.001 0.000 0.307 65 T C 0.036 174.779 174.700 0.071 0.000 1.059 65 T CA -0.910 61.196 62.100 0.010 0.000 1.122 65 T CB 0.753 69.632 68.868 0.019 0.000 0.972 65 T HN 0.494 nan 8.240 nan 0.000 0.545 66 A N 2.460 125.305 122.820 0.042 0.000 2.355 66 A HA 0.601 4.921 4.320 -0.001 0.000 0.324 66 A C -0.364 177.277 177.584 0.095 0.000 1.117 66 A CA -0.940 51.159 52.037 0.103 0.000 0.785 66 A CB 0.884 19.900 19.000 0.028 0.000 1.254 66 A HN 1.015 nan 8.150 nan 0.000 0.453 67 H N 1.141 120.236 119.070 0.041 0.000 2.551 67 H HA 0.498 5.054 4.556 -0.001 0.000 0.321 67 H C -0.619 174.741 175.328 0.054 0.000 1.028 67 H CA -0.456 55.631 56.048 0.065 0.000 1.215 67 H CB 1.632 31.427 29.762 0.056 0.000 1.414 67 H HN 0.639 nan 8.280 nan 0.000 0.480 68 V N 0.720 120.724 119.914 0.150 0.000 2.914 68 V HA 0.512 4.631 4.120 -0.001 0.000 0.314 68 V C -0.416 175.732 176.094 0.091 0.000 1.084 68 V CA -0.956 61.407 62.300 0.105 0.000 0.963 68 V CB 2.831 34.694 31.823 0.067 0.000 1.025 68 V HN 0.581 nan 8.190 nan 0.000 0.432 69 E N 2.932 123.180 120.200 0.081 0.000 2.195 69 E HA 0.675 5.025 4.350 -0.001 0.000 0.271 69 E C -1.330 175.345 176.600 0.125 0.000 0.923 69 E CA -0.139 56.287 56.400 0.043 0.000 0.790 69 E CB 2.281 32.020 29.700 0.065 0.000 1.155 69 E HN 0.941 nan 8.360 nan 0.000 0.402 70 Y N -1.534 118.861 120.300 0.158 0.000 2.764 70 Y HA 0.615 5.165 4.550 -0.001 0.000 0.331 70 Y C -0.837 175.206 175.900 0.238 0.000 1.280 70 Y CA -1.282 56.899 58.100 0.136 0.000 1.065 70 Y CB 1.124 39.611 38.460 0.045 0.000 1.319 70 Y HN 0.456 nan 8.280 nan 0.000 0.453 71 E N -0.246 120.233 120.200 0.464 0.000 2.412 71 E HA 0.659 5.009 4.350 -0.001 0.000 0.279 71 E C -1.424 175.385 176.600 0.350 0.000 0.984 71 E CA -1.002 55.608 56.400 0.349 0.000 0.788 71 E CB 2.693 32.486 29.700 0.156 0.000 1.277 71 E HN 0.876 nan 8.360 nan 0.000 0.455 72 T N -2.496 112.240 114.554 0.303 0.000 2.804 72 T HA 0.641 4.991 4.350 -0.001 0.000 0.272 72 T C 1.029 175.822 174.700 0.154 0.000 0.986 72 T CA -0.276 62.011 62.100 0.312 0.000 0.999 72 T CB 1.143 70.250 68.868 0.398 0.000 1.307 72 T HN 0.601 nan 8.240 nan 0.000 0.586 73 A N -0.264 122.641 122.820 0.141 0.000 2.066 73 A HA 0.096 4.416 4.320 -0.001 0.000 0.218 73 A C 2.161 179.752 177.584 0.011 0.000 1.157 73 A CA 1.446 53.515 52.037 0.054 0.000 0.670 73 A CB -0.727 18.294 19.000 0.036 0.000 0.804 73 A HN 0.846 nan 8.150 nan 0.000 0.453 74 K N -1.263 119.156 120.400 0.031 0.000 2.276 74 K HA 0.127 4.446 4.320 -0.001 0.000 0.198 74 K C 0.328 176.871 176.600 -0.095 0.000 1.052 74 K CA 0.227 56.506 56.287 -0.012 0.000 0.984 74 K CB 0.259 32.778 32.500 0.031 0.000 0.836 74 K HN 0.420 nan 8.250 nan 0.000 0.490 75 R N -0.649 119.761 120.500 -0.150 0.000 2.781 75 R HA 0.325 4.665 4.340 -0.001 0.000 0.269 75 R C -1.250 174.805 176.300 -0.409 0.000 1.025 75 R CA -0.885 55.010 56.100 -0.342 0.000 0.914 75 R CB 1.206 31.143 30.300 -0.604 0.000 1.236 75 R HN 0.073 nan 8.270 nan 0.000 0.465 76 H N 0.871 119.776 119.070 -0.274 0.000 2.476 76 H HA 0.297 4.852 4.556 -0.001 0.000 0.328 76 H C -0.929 174.162 175.328 -0.395 0.000 1.073 76 H CA -0.107 55.856 56.048 -0.142 0.000 1.229 76 H CB 0.983 30.767 29.762 0.037 0.000 1.432 76 H HN 0.398 nan 8.280 nan 0.000 0.477 77 Y N 0.616 120.861 120.300 -0.091 0.000 2.377 77 Y HA 0.221 4.771 4.550 -0.000 0.000 0.339 77 Y C 0.437 176.145 175.900 -0.320 0.000 1.011 77 Y CA -0.485 57.409 58.100 -0.343 0.000 1.093 77 Y CB 1.752 39.890 38.460 -0.537 0.000 1.201 77 Y HN 0.404 nan 8.280 nan 0.000 0.455 78 S N 1.833 117.491 115.700 -0.070 0.000 2.456 78 S HA 0.216 4.686 4.470 -0.001 0.000 0.316 78 S C -1.339 173.271 174.600 0.017 0.000 1.089 78 S CA -0.621 57.625 58.200 0.076 0.000 1.101 78 S CB 0.058 63.431 63.200 0.289 0.000 0.995 78 S HN 0.655 nan 8.310 nan 0.000 0.468 79 H N 2.420 121.423 119.070 -0.113 0.000 2.511 79 H HA 0.574 5.130 4.556 -0.001 0.000 0.328 79 H C -1.052 174.212 175.328 -0.107 0.000 1.044 79 H CA -0.643 55.353 56.048 -0.087 0.000 1.212 79 H CB 0.650 30.406 29.762 -0.010 0.000 1.428 79 H HN 0.347 nan 8.280 nan 0.000 0.483 80 V N 5.393 125.215 119.914 -0.153 0.000 2.333 80 V HA 0.052 4.171 4.120 -0.001 0.000 0.274 80 V C -0.082 175.968 176.094 -0.072 0.000 1.028 80 V CA -0.649 61.512 62.300 -0.232 0.000 0.851 80 V CB 0.901 32.505 31.823 -0.365 0.000 1.000 80 V HN 0.819 nan 8.190 nan 0.000 0.456 81 D N 4.265 124.709 120.400 0.072 0.000 2.339 81 D HA 0.295 4.934 4.640 -0.001 0.000 0.241 81 D C -0.239 176.063 176.300 0.004 0.000 1.183 81 D CA -0.005 54.054 54.000 0.099 0.000 0.859 81 D CB 0.716 41.575 40.800 0.098 0.000 1.067 81 D HN 0.537 nan 8.370 nan 0.000 0.484 82 C N 5.999 125.297 119.300 -0.004 0.000 2.364 82 C HA 0.589 5.049 4.460 -0.001 0.000 0.356 82 C C -1.947 173.060 174.990 0.028 0.000 1.201 82 C CA -1.370 57.639 59.018 -0.016 0.000 2.227 82 C CB 1.292 28.995 27.740 -0.063 0.000 2.387 82 C HN 0.594 nan 8.230 nan 0.000 0.546 83 P HA 0.202 nan 4.420 nan 0.000 0.275 83 P C 0.202 177.605 177.300 0.171 0.000 1.228 83 P CA 0.362 63.520 63.100 0.097 0.000 0.786 83 P CB 0.851 32.618 31.700 0.112 0.000 0.927 84 G N 0.620 109.515 108.800 0.159 0.000 2.796 84 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.210 84 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.210 84 G C 0.661 175.569 174.900 0.014 0.000 1.146 84 G CA 0.263 45.429 45.100 0.109 0.000 0.779 84 G HN 0.612 nan 8.290 nan 0.000 0.535 85 H N 1.198 120.292 119.070 0.041 0.000 2.886 85 H HA 0.290 4.845 4.556 -0.001 0.000 0.329 85 H C 1.661 176.976 175.328 -0.023 0.000 1.044 85 H CA 0.313 56.358 56.048 -0.006 0.000 1.456 85 H CB 1.610 31.420 29.762 0.081 0.000 1.464 85 H HN 0.071 nan 8.280 nan 0.000 0.573 86 A N 4.498 127.136 122.820 -0.302 0.000 1.986 86 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 86 A C 1.899 179.469 177.584 -0.022 0.000 1.171 86 A CA 1.773 53.733 52.037 -0.128 0.000 0.640 86 A CB -0.125 18.754 19.000 -0.203 0.000 0.811 86 A HN 0.759 nan 8.150 nan 0.000 0.451 87 D N -1.705 118.756 120.400 0.101 0.000 2.264 87 D HA -0.092 4.548 4.640 -0.001 0.000 0.208 87 D C 0.363 176.366 176.300 -0.494 0.000 0.966 87 D CA 1.058 54.884 54.000 -0.289 0.000 0.864 87 D CB -0.219 40.197 40.800 -0.640 0.000 0.933 87 D HN 0.740 nan 8.370 nan 0.000 0.499 88 Y N 0.001 120.365 120.300 0.107 0.000 2.720 88 Y HA 0.304 4.854 4.550 -0.000 0.000 0.277 88 Y C 1.723 177.636 175.900 0.022 0.000 1.144 88 Y CA -0.516 57.613 58.100 0.049 0.000 1.221 88 Y CB 0.242 38.730 38.460 0.046 0.000 1.163 88 Y HN -0.145 nan 8.280 nan 0.000 0.537 89 I N 0.694 121.315 120.570 0.084 0.000 2.335 89 I HA -0.352 3.818 4.170 -0.001 0.000 0.251 89 I C 2.500 178.612 176.117 -0.009 0.000 1.129 89 I CA 1.662 62.977 61.300 0.024 0.000 1.402 89 I CB 0.039 38.024 38.000 -0.025 0.000 1.069 89 I HN 0.287 nan 8.210 nan 0.000 0.424 90 K N 0.710 121.115 120.400 0.008 0.000 2.057 90 K HA -0.229 4.090 4.320 -0.001 0.000 0.207 90 K C 1.759 178.377 176.600 0.029 0.000 1.049 90 K CA 1.932 58.222 56.287 0.005 0.000 0.931 90 K CB -0.111 32.407 32.500 0.031 0.000 0.714 90 K HN 0.375 nan 8.250 nan 0.000 0.440 91 N N 0.770 119.511 118.700 0.070 0.000 2.244 91 N HA -0.165 4.575 4.740 -0.001 0.000 0.183 91 N C 1.651 177.166 175.510 0.008 0.000 1.016 91 N CA 1.074 54.156 53.050 0.052 0.000 0.866 91 N CB -0.233 38.290 38.487 0.061 0.000 0.980 91 N HN 0.316 nan 8.380 nan 0.000 0.430 92 M N 0.620 120.210 119.600 -0.017 0.000 2.099 92 M HA -0.075 4.405 4.480 -0.001 0.000 0.262 92 M C 1.478 177.704 176.300 -0.122 0.000 1.067 92 M CA 1.197 56.431 55.300 -0.110 0.000 1.124 92 M CB -0.257 32.211 32.600 -0.221 0.000 1.353 92 M HN -0.056 nan 8.290 nan 0.000 0.410 93 I N 0.529 121.043 120.570 -0.092 0.000 2.226 93 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 93 I C 2.230 178.329 176.117 -0.030 0.000 1.100 93 I CA 1.592 62.850 61.300 -0.070 0.000 1.374 93 I CB -1.854 36.113 38.000 -0.054 0.000 1.057 93 I HN 0.300 nan 8.210 nan 0.000 0.413 94 T N 0.679 115.230 114.554 -0.006 0.000 2.788 94 T HA -0.109 4.241 4.350 -0.001 0.000 0.268 94 T C 1.903 176.614 174.700 0.019 0.000 1.044 94 T CA 1.485 63.599 62.100 0.024 0.000 1.139 94 T CB -0.642 68.254 68.868 0.046 0.000 0.867 94 T HN 0.543 nan 8.240 nan 0.000 0.454 95 G N 0.942 109.735 108.800 -0.013 0.000 2.394 95 G HA2 0.053 4.012 3.960 -0.001 0.000 0.215 95 G HA3 0.053 4.012 3.960 -0.001 0.000 0.215 95 G C 1.843 176.709 174.900 -0.057 0.000 1.165 95 G CA 0.713 45.787 45.100 -0.044 0.000 0.784 95 G HN 0.561 nan 8.290 nan 0.000 0.535 96 A N 1.202 123.981 122.820 -0.069 0.000 1.972 96 A HA 0.277 4.597 4.320 -0.001 0.000 0.219 96 A C 2.691 180.263 177.584 -0.020 0.000 1.169 96 A CA 2.016 54.015 52.037 -0.063 0.000 0.635 96 A CB -0.623 18.325 19.000 -0.086 0.000 0.810 96 A HN 0.796 nan 8.150 nan 0.000 0.446 97 A N -0.972 121.847 122.820 -0.003 0.000 2.178 97 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 97 A C 1.888 179.492 177.584 0.034 0.000 1.157 97 A CA 1.419 53.469 52.037 0.022 0.000 0.689 97 A CB -0.350 18.669 19.000 0.032 0.000 0.787 97 A HN 0.690 nan 8.150 nan 0.000 0.465 98 Q N -1.167 118.650 119.800 0.028 0.000 2.319 98 Q HA 0.301 4.641 4.340 -0.001 0.000 0.209 98 Q C -0.082 175.938 176.000 0.034 0.000 0.884 98 Q CA -0.175 55.656 55.803 0.047 0.000 0.938 98 Q CB 0.302 29.081 28.738 0.068 0.000 1.098 98 Q HN 0.638 nan 8.270 nan 0.000 0.517 99 M N 0.928 120.534 119.600 0.010 0.000 2.216 99 M HA 0.096 4.576 4.480 -0.001 0.000 0.356 99 M C 0.052 176.375 176.300 0.038 0.000 1.205 99 M CA -0.018 55.285 55.300 0.004 0.000 1.122 99 M CB 0.932 33.514 32.600 -0.030 0.000 1.571 99 M HN -0.055 nan 8.290 nan 0.000 0.464 100 D N 1.556 121.984 120.400 0.047 0.000 2.346 100 D HA 0.199 4.838 4.640 -0.001 0.000 0.206 100 D C 0.602 176.966 176.300 0.106 0.000 1.001 100 D CA 0.540 54.586 54.000 0.075 0.000 0.871 100 D CB 0.718 41.558 40.800 0.066 0.000 0.943 100 D HN 0.812 nan 8.370 nan 0.000 0.518 101 G N -0.356 108.496 108.800 0.087 0.000 2.703 101 G HA2 0.567 4.527 3.960 -0.001 0.000 0.294 101 G HA3 0.567 4.527 3.960 -0.001 0.000 0.294 101 G C -1.766 173.152 174.900 0.031 0.000 1.451 101 G CA -0.308 44.860 45.100 0.114 0.000 0.869 101 G HN 0.122 nan 8.290 nan 0.000 0.516 102 A N 0.579 123.404 122.820 0.008 0.000 2.374 102 A HA 0.844 5.164 4.320 -0.001 0.000 0.317 102 A C -0.647 176.910 177.584 -0.045 0.000 1.094 102 A CA -0.676 51.326 52.037 -0.057 0.000 0.765 102 A CB 1.173 20.121 19.000 -0.086 0.000 1.268 102 A HN 0.717 nan 8.150 nan 0.000 0.438 103 I N 2.289 122.828 120.570 -0.053 0.000 2.307 103 I HA 0.212 4.381 4.170 -0.001 0.000 0.289 103 I C -0.592 175.533 176.117 0.013 0.000 1.021 103 I CA -0.506 60.792 61.300 -0.003 0.000 1.224 103 I CB 1.314 39.320 38.000 0.010 0.000 1.376 103 I HN 0.560 nan 8.210 nan 0.000 0.470 104 L N 9.045 130.277 121.223 0.015 0.000 2.278 104 L HA 0.375 4.715 4.340 -0.001 0.000 0.287 104 L C -0.396 176.535 176.870 0.102 0.000 1.072 104 L CA 0.009 54.870 54.840 0.034 0.000 0.819 104 L CB 0.987 43.035 42.059 -0.019 0.000 1.176 104 L HN 0.280 nan 8.230 nan 0.000 0.435 105 V N 6.310 126.306 119.914 0.136 0.000 2.383 105 V HA 0.468 4.588 4.120 -0.001 0.000 0.275 105 V C -0.211 176.017 176.094 0.223 0.000 1.036 105 V CA -0.542 61.881 62.300 0.204 0.000 0.889 105 V CB 1.438 33.382 31.823 0.202 0.000 0.985 105 V HN 0.534 nan 8.190 nan 0.000 0.459 106 V N 3.764 123.801 119.914 0.205 0.000 2.483 106 V HA 0.371 4.490 4.120 -0.001 0.000 0.297 106 V C 0.256 176.381 176.094 0.053 0.000 1.027 106 V CA -0.492 61.944 62.300 0.225 0.000 0.855 106 V CB 1.996 33.890 31.823 0.118 0.000 0.995 106 V HN 0.871 nan 8.190 nan 0.000 0.424 107 S N 3.602 119.172 115.700 -0.217 0.000 2.516 107 S HA 0.371 4.840 4.470 -0.001 0.000 0.282 107 S C 1.380 175.841 174.600 -0.232 0.000 1.286 107 S CA 0.187 58.155 58.200 -0.388 0.000 1.066 107 S CB 1.233 63.927 63.200 -0.843 0.000 0.884 107 S HN 1.058 nan 8.310 nan 0.000 0.491 108 A N 4.983 127.717 122.820 -0.144 0.000 2.014 108 A HA 0.206 4.525 4.320 -0.001 0.000 0.218 108 A C 2.241 179.766 177.584 -0.098 0.000 1.163 108 A CA 1.376 53.353 52.037 -0.101 0.000 0.652 108 A CB -0.951 18.001 19.000 -0.080 0.000 0.808 108 A HN 1.164 nan 8.150 nan 0.000 0.449 109 A N -0.236 122.512 122.820 -0.119 0.000 2.016 109 A HA -0.009 4.311 4.320 -0.001 0.000 0.217 109 A C 1.452 178.979 177.584 -0.095 0.000 1.162 109 A CA 1.690 53.671 52.037 -0.095 0.000 0.662 109 A CB -0.261 18.685 19.000 -0.090 0.000 0.812 109 A HN 0.523 nan 8.150 nan 0.000 0.450 110 D N -2.262 118.053 120.400 -0.143 0.000 2.454 110 D HA 0.399 5.038 4.640 -0.001 0.000 0.219 110 D C 1.071 177.334 176.300 -0.062 0.000 1.081 110 D CA 0.889 54.830 54.000 -0.099 0.000 0.867 110 D CB 0.393 41.131 40.800 -0.104 0.000 1.054 110 D HN 0.622 nan 8.370 nan 0.000 0.500 111 G N 1.170 109.926 108.800 -0.073 0.000 2.782 111 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.228 111 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.228 111 G C -2.616 172.308 174.900 0.040 0.000 1.372 111 G CA -1.213 43.873 45.100 -0.023 0.000 0.862 111 G HN -0.026 nan 8.290 nan 0.000 0.547 112 P HA 0.357 nan 4.420 nan 0.000 0.265 112 P C 0.210 177.481 177.300 -0.048 0.000 1.193 112 P CA 0.300 63.415 63.100 0.025 0.000 0.765 112 P CB 0.499 32.210 31.700 0.017 0.000 0.823 113 M N 4.316 123.820 119.600 -0.161 0.000 2.775 113 M HA 0.331 4.811 4.480 -0.001 0.000 0.296 113 M C -1.745 174.391 176.300 -0.273 0.000 1.248 113 M CA -2.607 52.458 55.300 -0.393 0.000 0.800 113 M CB 0.642 32.597 32.600 -1.075 0.000 1.765 113 M HN 0.026 nan 8.290 nan 0.000 0.472 114 P HA -0.182 nan 4.420 nan 0.000 0.216 114 P C 0.827 178.125 177.300 -0.003 0.000 1.157 114 P CA 1.764 64.844 63.100 -0.032 0.000 0.880 114 P CB 0.242 31.955 31.700 0.021 0.000 0.791 115 Q N -2.016 117.843 119.800 0.099 0.000 2.435 115 Q HA -0.001 4.338 4.340 -0.001 0.000 0.207 115 Q C 1.908 177.721 176.000 -0.311 0.000 0.956 115 Q CA 1.120 56.798 55.803 -0.208 0.000 0.917 115 Q CB -1.243 27.201 28.738 -0.489 0.000 0.997 115 Q HN 0.232 nan 8.270 nan 0.000 0.497 116 T N -0.056 114.415 114.554 -0.138 0.000 2.737 116 T HA -0.108 4.242 4.350 -0.001 0.000 0.265 116 T C 1.589 176.264 174.700 -0.042 0.000 1.038 116 T CA 1.214 63.262 62.100 -0.086 0.000 1.144 116 T CB -0.009 68.841 68.868 -0.031 0.000 0.866 116 T HN 0.282 nan 8.240 nan 0.000 0.434 117 R N 0.795 121.286 120.500 -0.014 0.000 2.057 117 R HA 0.029 4.368 4.340 -0.001 0.000 0.229 117 R C 2.595 178.793 176.300 -0.170 0.000 1.136 117 R CA 1.203 57.316 56.100 0.021 0.000 0.952 117 R CB -0.270 30.125 30.300 0.159 0.000 0.848 117 R HN 0.468 nan 8.270 nan 0.000 0.430 118 E N 0.552 120.702 120.200 -0.084 0.000 2.085 118 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 118 E C 1.748 178.351 176.600 0.006 0.000 0.994 118 E CA 1.286 57.652 56.400 -0.056 0.000 0.801 118 E CB 0.018 29.725 29.700 0.011 0.000 0.743 118 E HN 0.541 nan 8.360 nan 0.000 0.453 119 H N -0.449 118.549 119.070 -0.120 0.000 2.423 119 H HA -0.077 4.479 4.556 -0.000 0.000 0.297 119 H C 2.231 177.470 175.328 -0.148 0.000 1.075 119 H CA 0.961 56.942 56.048 -0.111 0.000 1.342 119 H CB 0.149 29.863 29.762 -0.080 0.000 1.395 119 H HN 0.228 nan 8.280 nan 0.000 0.530 120 I N 0.269 120.789 120.570 -0.083 0.000 2.202 120 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 120 I C 2.422 178.440 176.117 -0.164 0.000 1.091 120 I CA 0.536 61.741 61.300 -0.158 0.000 1.368 120 I CB -0.059 37.852 38.000 -0.150 0.000 1.058 120 I HN 0.172 nan 8.210 nan 0.000 0.410 121 L N 0.802 121.759 121.223 -0.442 0.000 2.046 121 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 121 L C 2.245 179.050 176.870 -0.108 0.000 1.077 121 L CA 1.910 56.538 54.840 -0.354 0.000 0.747 121 L CB -0.539 41.247 42.059 -0.455 0.000 0.896 121 L HN 0.146 nan 8.230 nan 0.000 0.432 122 L N -0.906 120.266 121.223 -0.086 0.000 2.156 122 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 122 L C 2.646 179.501 176.870 -0.025 0.000 1.095 122 L CA 0.908 55.718 54.840 -0.049 0.000 0.770 122 L CB -0.912 41.112 42.059 -0.059 0.000 0.914 122 L HN 0.355 nan 8.230 nan 0.000 0.439 123 A N 0.175 122.986 122.820 -0.016 0.000 1.908 123 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 123 A C 2.459 180.115 177.584 0.119 0.000 1.181 123 A CA 1.738 53.787 52.037 0.021 0.000 0.627 123 A CB -0.561 18.429 19.000 -0.017 0.000 0.818 123 A HN 0.318 nan 8.150 nan 0.000 0.445 124 R N -1.036 119.580 120.500 0.193 0.000 2.081 124 R HA -0.149 4.190 4.340 -0.001 0.000 0.235 124 R C 2.249 178.577 176.300 0.046 0.000 1.131 124 R CA 1.494 57.694 56.100 0.167 0.000 0.960 124 R CB -0.226 30.127 30.300 0.088 0.000 0.856 124 R HN 0.475 nan 8.270 nan 0.000 0.436 125 Q N 0.024 119.835 119.800 0.018 0.000 2.181 125 Q HA -0.112 4.228 4.340 -0.001 0.000 0.205 125 Q C 1.985 177.996 176.000 0.018 0.000 0.980 125 Q CA 1.692 57.493 55.803 -0.003 0.000 0.862 125 Q CB -0.113 28.612 28.738 -0.023 0.000 0.905 125 Q HN 0.440 nan 8.270 nan 0.000 0.429 126 V N -4.054 115.876 119.914 0.026 0.000 3.623 126 V HA 0.424 4.544 4.120 -0.001 0.000 0.271 126 V C 1.125 177.246 176.094 0.045 0.000 1.248 126 V CA 0.876 63.196 62.300 0.033 0.000 1.156 126 V CB -0.082 31.753 31.823 0.020 0.000 0.870 126 V HN 0.327 nan 8.190 nan 0.000 0.453 127 G N -0.055 108.777 108.800 0.054 0.000 2.134 127 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.209 127 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.209 127 G C -0.014 174.942 174.900 0.092 0.000 0.993 127 G CA -0.117 45.021 45.100 0.062 0.000 0.669 127 G HN 0.772 nan 8.290 nan 0.000 0.519 128 V N 2.288 122.275 119.914 0.121 0.000 2.446 128 V HA 0.218 4.338 4.120 -0.001 0.000 0.276 128 V C 0.280 176.525 176.094 0.252 0.000 1.030 128 V CA -0.083 62.307 62.300 0.150 0.000 1.033 128 V CB 1.197 33.087 31.823 0.111 0.000 0.993 128 V HN 0.314 nan 8.190 nan 0.000 0.477 129 P HA -0.015 nan 4.420 nan 0.000 0.230 129 P C -0.223 177.325 177.300 0.412 0.000 1.168 129 P CA 0.759 64.025 63.100 0.275 0.000 0.793 129 P CB 0.480 32.303 31.700 0.205 0.000 0.851 130 Y N -0.494 119.953 120.300 0.245 0.000 2.504 130 Y HA 0.532 5.082 4.550 -0.000 0.000 0.344 130 Y C -0.700 175.213 175.900 0.022 0.000 1.023 130 Y CA -0.968 57.249 58.100 0.195 0.000 1.020 130 Y CB 1.770 40.328 38.460 0.164 0.000 1.282 130 Y HN -0.322 nan 8.280 nan 0.000 0.454 131 I N 5.212 125.570 120.570 -0.353 0.000 2.545 131 I HA 0.524 4.694 4.170 -0.001 0.000 0.292 131 I C -1.232 174.835 176.117 -0.084 0.000 1.040 131 I CA -1.108 60.030 61.300 -0.269 0.000 1.068 131 I CB 1.933 39.572 38.000 -0.603 0.000 1.251 131 I HN 0.235 nan 8.210 nan 0.000 0.424 132 V N 6.405 126.338 119.914 0.032 0.000 2.628 132 V HA 0.470 4.590 4.120 -0.001 0.000 0.306 132 V C -0.225 175.877 176.094 0.013 0.000 1.045 132 V CA -0.704 61.625 62.300 0.048 0.000 0.905 132 V CB 2.479 34.356 31.823 0.090 0.000 0.997 132 V HN 0.381 nan 8.190 nan 0.000 0.436 133 V N 4.276 124.194 119.914 0.007 0.000 2.459 133 V HA 0.470 4.590 4.120 -0.001 0.000 0.295 133 V C -0.805 175.352 176.094 0.105 0.000 1.029 133 V CA -0.522 61.799 62.300 0.035 0.000 0.874 133 V CB 1.598 33.413 31.823 -0.014 0.000 0.985 133 V HN 0.711 nan 8.190 nan 0.000 0.438 134 F N 5.595 125.543 119.950 -0.003 0.000 2.382 134 F HA 0.556 5.083 4.527 -0.000 0.000 0.361 134 F C 0.085 175.894 175.800 0.016 0.000 1.109 134 F CA -0.644 57.361 58.000 0.009 0.000 1.031 134 F CB 1.397 40.405 39.000 0.013 0.000 1.234 134 F HN 0.490 nan 8.300 nan 0.000 0.445 135 M N 6.457 125.852 119.600 -0.341 0.000 2.156 135 M HA 0.229 4.709 4.480 -0.001 0.000 0.345 135 M C -0.918 175.177 176.300 -0.342 0.000 1.398 135 M CA -0.021 55.143 55.300 -0.226 0.000 1.148 135 M CB 0.013 32.495 32.600 -0.196 0.000 1.663 135 M HN 0.659 nan 8.290 nan 0.000 0.464 136 N N 3.348 122.006 118.700 -0.069 0.000 2.476 136 N HA 0.347 5.087 4.740 -0.001 0.000 0.276 136 N C -0.648 174.843 175.510 -0.031 0.000 1.204 136 N CA 0.074 53.156 53.050 0.053 0.000 0.974 136 N CB 0.851 39.486 38.487 0.247 0.000 1.204 136 N HN 0.653 nan 8.380 nan 0.000 0.543 137 K N -0.994 119.391 120.400 -0.026 0.000 3.160 137 K HA -0.151 4.169 4.320 -0.001 0.000 0.280 137 K C 0.879 177.424 176.600 -0.091 0.000 1.154 137 K CA 0.759 56.995 56.287 -0.086 0.000 0.822 137 K CB -2.439 30.007 32.500 -0.090 0.000 1.239 137 K HN 0.434 nan 8.250 nan 0.000 0.489 138 V N -1.125 118.748 119.914 -0.068 0.000 2.913 138 V HA -0.209 3.911 4.120 -0.001 0.000 0.260 138 V C 2.071 178.167 176.094 0.003 0.000 1.098 138 V CA 1.948 64.243 62.300 -0.010 0.000 1.121 138 V CB -0.356 31.507 31.823 0.066 0.000 0.714 138 V HN 0.401 nan 8.190 nan 0.000 0.487 139 D N -0.200 120.122 120.400 -0.130 0.000 2.310 139 D HA -0.173 4.467 4.640 -0.001 0.000 0.212 139 D C 1.746 177.999 176.300 -0.079 0.000 0.965 139 D CA 0.975 54.878 54.000 -0.161 0.000 0.879 139 D CB -0.108 40.437 40.800 -0.424 0.000 0.921 139 D HN 0.454 nan 8.370 nan 0.000 0.510 140 M N 0.688 120.243 119.600 -0.075 0.000 2.428 140 M HA 0.167 4.646 4.480 -0.001 0.000 0.239 140 M C 0.056 176.336 176.300 -0.033 0.000 1.121 140 M CA 0.007 55.274 55.300 -0.056 0.000 1.019 140 M CB 1.130 33.689 32.600 -0.068 0.000 1.485 140 M HN -0.194 nan 8.290 nan 0.000 0.484 141 V N 1.312 121.215 119.914 -0.018 0.000 2.378 141 V HA 0.242 4.361 4.120 -0.001 0.000 0.288 141 V C 0.333 176.433 176.094 0.010 0.000 1.016 141 V CA -0.522 61.772 62.300 -0.010 0.000 0.840 141 V CB 1.948 33.761 31.823 -0.018 0.000 0.994 141 V HN 0.179 nan 8.190 nan 0.000 0.431 142 D N 2.010 122.414 120.400 0.006 0.000 2.349 142 D HA 0.051 4.691 4.640 -0.001 0.000 0.214 142 D C 0.273 176.577 176.300 0.007 0.000 1.063 142 D CA 0.360 54.368 54.000 0.013 0.000 0.847 142 D CB 0.761 41.568 40.800 0.010 0.000 0.933 142 D HN 0.646 nan 8.370 nan 0.000 0.513 143 D N 1.482 121.882 120.400 -0.000 0.000 2.412 143 D HA 0.089 4.729 4.640 -0.001 0.000 0.224 143 D C -1.336 174.961 176.300 -0.006 0.000 1.093 143 D CA -2.047 51.950 54.000 -0.004 0.000 0.850 143 D CB 1.749 42.544 40.800 -0.008 0.000 1.046 143 D HN -0.140 nan 8.370 nan 0.000 0.507 144 P HA -0.172 nan 4.420 nan 0.000 0.219 144 P C 0.774 178.067 177.300 -0.012 0.000 1.146 144 P CA 0.856 63.951 63.100 -0.008 0.000 0.808 144 P CB 0.528 32.223 31.700 -0.008 0.000 0.779 145 E N -0.090 120.103 120.200 -0.011 0.000 2.072 145 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 145 E C 2.087 178.678 176.600 -0.015 0.000 0.985 145 E CA 0.659 57.051 56.400 -0.013 0.000 0.801 145 E CB -0.959 28.734 29.700 -0.011 0.000 0.750 145 E HN 0.221 nan 8.360 nan 0.000 0.452 146 L N 0.963 122.176 121.223 -0.016 0.000 2.093 146 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 146 L C 2.218 179.073 176.870 -0.024 0.000 1.085 146 L CA 1.298 56.126 54.840 -0.020 0.000 0.755 146 L CB -0.504 41.542 42.059 -0.021 0.000 0.904 146 L HN 0.050 nan 8.230 nan 0.000 0.435 147 L N -0.816 120.393 121.223 -0.024 0.000 2.046 147 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 147 L C 2.220 179.072 176.870 -0.029 0.000 1.077 147 L CA 1.308 56.130 54.840 -0.029 0.000 0.747 147 L CB -0.861 41.182 42.059 -0.026 0.000 0.896 147 L HN 0.259 nan 8.230 nan 0.000 0.432 148 D N 0.020 120.406 120.400 -0.024 0.000 2.117 148 D HA -0.172 4.468 4.640 -0.001 0.000 0.197 148 D C 2.034 178.321 176.300 -0.021 0.000 0.987 148 D CA 0.982 54.969 54.000 -0.022 0.000 0.829 148 D CB -0.130 40.659 40.800 -0.017 0.000 0.961 148 D HN 0.114 nan 8.370 nan 0.000 0.460 149 L N 0.564 121.775 121.223 -0.021 0.000 2.017 149 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 149 L C 2.205 179.063 176.870 -0.021 0.000 1.073 149 L CA 1.373 56.201 54.840 -0.020 0.000 0.745 149 L CB -0.595 41.453 42.059 -0.019 0.000 0.894 149 L HN -0.115 nan 8.230 nan 0.000 0.432 150 V N 0.028 119.927 119.914 -0.025 0.000 2.332 150 V HA -0.325 3.794 4.120 -0.001 0.000 0.248 150 V C 2.613 178.692 176.094 -0.025 0.000 1.055 150 V CA 2.040 64.324 62.300 -0.027 0.000 1.038 150 V CB -0.761 31.041 31.823 -0.036 0.000 0.651 150 V HN 0.653 nan 8.190 nan 0.000 0.450 151 E N -0.156 120.026 120.200 -0.030 0.000 2.077 151 E HA -0.282 4.068 4.350 -0.001 0.000 0.193 151 E C 2.264 178.851 176.600 -0.022 0.000 0.989 151 E CA 1.834 58.216 56.400 -0.030 0.000 0.800 151 E CB -0.214 29.465 29.700 -0.034 0.000 0.746 151 E HN 0.579 nan 8.360 nan 0.000 0.452 152 M N 0.504 120.092 119.600 -0.020 0.000 2.117 152 M HA -0.203 4.276 4.480 -0.001 0.000 0.262 152 M C 1.754 178.044 176.300 -0.017 0.000 1.065 152 M CA 1.849 57.138 55.300 -0.017 0.000 1.114 152 M CB -0.026 32.565 32.600 -0.016 0.000 1.361 152 M HN 0.102 nan 8.290 nan 0.000 0.408 153 E N -0.619 119.571 120.200 -0.016 0.000 2.110 153 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 153 E C 1.943 178.539 176.600 -0.006 0.000 0.988 153 E CA 1.575 57.967 56.400 -0.013 0.000 0.804 153 E CB -0.173 29.520 29.700 -0.011 0.000 0.745 153 E HN 0.410 nan 8.360 nan 0.000 0.458 154 V N 1.181 121.092 119.914 -0.005 0.000 2.379 154 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 154 V C 2.217 178.310 176.094 -0.001 0.000 1.044 154 V CA 1.600 63.902 62.300 0.003 0.000 1.036 154 V CB -0.429 31.392 31.823 -0.003 0.000 0.664 154 V HN 0.178 nan 8.190 nan 0.000 0.453 155 R N 0.010 120.504 120.500 -0.010 0.000 2.096 155 R HA -0.155 4.185 4.340 -0.001 0.000 0.235 155 R C 2.052 178.346 176.300 -0.011 0.000 1.127 155 R CA 1.650 57.745 56.100 -0.010 0.000 0.968 155 R CB -0.434 29.860 30.300 -0.011 0.000 0.861 155 R HN 0.522 nan 8.270 nan 0.000 0.440 156 D N 0.665 121.053 120.400 -0.020 0.000 2.117 156 D HA -0.131 4.508 4.640 -0.001 0.000 0.197 156 D C 1.889 178.149 176.300 -0.066 0.000 0.987 156 D CA 1.026 55.002 54.000 -0.040 0.000 0.829 156 D CB -0.111 40.664 40.800 -0.042 0.000 0.961 156 D HN 0.021 nan 8.370 nan 0.000 0.460 157 L N 0.562 121.762 121.223 -0.038 0.000 2.012 157 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 157 L C 2.553 179.437 176.870 0.024 0.000 1.073 157 L CA 1.103 55.922 54.840 -0.034 0.000 0.748 157 L CB -0.838 41.282 42.059 0.102 0.000 0.891 157 L HN 0.064 nan 8.230 nan 0.000 0.431 158 L N -0.823 120.448 121.223 0.081 0.000 2.042 158 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 158 L C 2.373 179.323 176.870 0.133 0.000 1.076 158 L CA 1.093 56.025 54.840 0.152 0.000 0.749 158 L CB -0.621 41.474 42.059 0.060 0.000 0.893 158 L HN 0.373 nan 8.230 nan 0.000 0.432 159 N N -0.222 118.492 118.700 0.023 0.000 2.120 159 N HA -0.255 4.485 4.740 -0.001 0.000 0.188 159 N C 1.815 177.271 175.510 -0.090 0.000 1.024 159 N CA 1.250 54.289 53.050 -0.017 0.000 0.852 159 N CB -0.271 38.195 38.487 -0.035 0.000 1.003 159 N HN 0.416 nan 8.380 nan 0.000 0.424 160 Q N -0.360 119.318 119.800 -0.203 0.000 2.135 160 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 160 Q C 0.534 176.268 176.000 -0.443 0.000 0.981 160 Q CA 1.340 56.911 55.803 -0.387 0.000 0.856 160 Q CB -0.018 28.360 28.738 -0.600 0.000 0.902 160 Q HN 0.435 nan 8.270 nan 0.000 0.425 161 Y N 0.449 120.729 120.300 -0.034 0.000 2.495 161 Y HA 0.187 4.737 4.550 -0.001 0.000 0.293 161 Y C -0.116 175.721 175.900 -0.104 0.000 1.186 161 Y CA 0.397 58.471 58.100 -0.043 0.000 1.266 161 Y CB 0.243 38.757 38.460 0.089 0.000 1.101 161 Y HN 0.189 nan 8.280 nan 0.000 0.517 162 E N -2.081 118.097 120.200 -0.037 0.000 3.303 162 E HA -0.231 4.118 4.350 -0.001 0.000 0.302 162 E C -0.636 175.800 176.600 -0.274 0.000 0.902 162 E CA 0.148 56.452 56.400 -0.159 0.000 1.042 162 E CB -1.933 27.638 29.700 -0.214 0.000 1.528 162 E HN 0.318 nan 8.360 nan 0.000 0.424 163 F N 0.798 120.729 119.950 -0.031 0.000 2.403 163 F HA 0.343 4.870 4.527 -0.001 0.000 0.326 163 F C -1.557 174.197 175.800 -0.077 0.000 1.081 163 F CA -2.168 55.785 58.000 -0.078 0.000 1.041 163 F CB 0.636 39.571 39.000 -0.109 0.000 1.234 163 F HN -0.257 nan 8.300 nan 0.000 0.503 164 P HA 0.078 nan 4.420 nan 0.000 0.237 164 P C 0.686 178.018 177.300 0.052 0.000 1.788 164 P CA 0.248 63.388 63.100 0.068 0.000 1.061 164 P CB -0.025 31.735 31.700 0.101 0.000 1.967 165 G N 2.399 111.228 108.800 0.048 0.000 2.475 165 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.220 165 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.220 165 G C 0.942 175.853 174.900 0.018 0.000 1.125 165 G CA 0.566 45.680 45.100 0.023 0.000 0.755 165 G HN 0.300 nan 8.290 nan 0.000 0.565 166 D N -0.453 119.965 120.400 0.030 0.000 2.348 166 D HA 0.017 4.656 4.640 -0.001 0.000 0.211 166 D C 1.968 178.301 176.300 0.056 0.000 0.998 166 D CA 0.489 54.508 54.000 0.033 0.000 0.873 166 D CB 0.307 41.126 40.800 0.031 0.000 0.925 166 D HN 0.585 nan 8.370 nan 0.000 0.524 167 E N 0.983 121.234 120.200 0.085 0.000 2.244 167 E HA -0.030 4.319 4.350 -0.001 0.000 0.196 167 E C 0.836 177.522 176.600 0.143 0.000 0.939 167 E CA -0.032 56.459 56.400 0.151 0.000 0.884 167 E CB 0.686 30.519 29.700 0.221 0.000 0.850 167 E HN 0.033 nan 8.360 nan 0.000 0.481 168 V N 1.362 121.322 119.914 0.075 0.000 2.901 168 V HA 0.153 4.273 4.120 -0.001 0.000 0.307 168 V C -2.521 173.474 176.094 -0.166 0.000 1.084 168 V CA -1.353 60.931 62.300 -0.027 0.000 1.184 168 V CB 0.222 31.998 31.823 -0.078 0.000 0.941 168 V HN 0.018 nan 8.190 nan 0.000 0.493 169 P HA 0.426 nan 4.420 nan 0.000 0.280 169 P C -0.841 176.379 177.300 -0.132 0.000 1.244 169 P CA -0.174 62.746 63.100 -0.300 0.000 0.784 169 P CB 1.153 32.580 31.700 -0.455 0.000 0.913 170 V N 5.585 125.448 119.914 -0.084 0.000 2.325 170 V HA 0.262 4.382 4.120 -0.001 0.000 0.280 170 V C 0.016 176.063 176.094 -0.077 0.000 1.016 170 V CA -0.445 61.814 62.300 -0.067 0.000 0.818 170 V CB 0.866 32.653 31.823 -0.060 0.000 1.019 170 V HN 0.373 nan 8.190 nan 0.000 0.434 171 I N 5.231 125.748 120.570 -0.088 0.000 2.342 171 I HA 0.437 4.607 4.170 -0.001 0.000 0.291 171 I C 0.643 176.530 176.117 -0.383 0.000 1.010 171 I CA -0.032 61.185 61.300 -0.138 0.000 1.308 171 I CB 0.960 38.972 38.000 0.019 0.000 1.400 171 I HN 0.419 nan 8.210 nan 0.000 0.488 172 R N 4.845 125.175 120.500 -0.282 0.000 2.229 172 R HA 0.759 5.099 4.340 -0.001 0.000 0.332 172 R C 0.163 176.307 176.300 -0.259 0.000 0.989 172 R CA -0.477 55.444 56.100 -0.299 0.000 0.842 172 R CB 1.343 31.564 30.300 -0.131 0.000 1.119 172 R HN 0.904 nan 8.270 nan 0.000 0.456 173 G N -0.014 108.543 108.800 -0.403 0.000 2.634 173 G HA2 0.330 4.290 3.960 -0.001 0.000 0.309 173 G HA3 0.330 4.290 3.960 -0.001 0.000 0.309 173 G C -1.504 173.482 174.900 0.144 0.000 1.299 173 G CA -0.405 44.729 45.100 0.057 0.000 0.798 173 G HN 0.330 nan 8.290 nan 0.000 0.490 174 S N -0.914 114.957 115.700 0.285 0.000 2.789 174 S HA 0.562 5.031 4.470 -0.001 0.000 0.286 174 S C 1.044 175.677 174.600 0.055 0.000 1.153 174 S CA 0.632 58.809 58.200 -0.039 0.000 1.084 174 S CB 0.962 63.728 63.200 -0.723 0.000 1.036 174 S HN 1.582 nan 8.310 nan 0.000 0.484 175 A N 4.603 127.489 122.820 0.110 0.000 1.933 175 A HA 0.007 4.326 4.320 -0.001 0.000 0.218 175 A C 1.879 179.393 177.584 -0.117 0.000 1.175 175 A CA 1.453 53.465 52.037 -0.041 0.000 0.628 175 A CB -0.647 18.312 19.000 -0.069 0.000 0.814 175 A HN 0.823 nan 8.150 nan 0.000 0.444 176 L N -0.228 120.908 121.223 -0.145 0.000 2.027 176 L HA -0.065 4.275 4.340 -0.001 0.000 0.206 176 L C 2.279 179.007 176.870 -0.236 0.000 1.074 176 L CA 1.671 56.398 54.840 -0.187 0.000 0.745 176 L CB -0.448 41.498 42.059 -0.187 0.000 0.898 176 L HN 0.398 nan 8.230 nan 0.000 0.433 177 L N -0.871 120.140 121.223 -0.353 0.000 2.141 177 L HA -0.134 4.206 4.340 -0.001 0.000 0.209 177 L C 2.594 179.351 176.870 -0.189 0.000 1.094 177 L CA 0.927 55.522 54.840 -0.408 0.000 0.763 177 L CB -0.889 40.572 42.059 -0.997 0.000 0.908 177 L HN 0.381 nan 8.230 nan 0.000 0.437 178 A N 0.163 122.922 122.820 -0.101 0.000 1.873 178 A HA -0.203 4.116 4.320 -0.001 0.000 0.215 178 A C 2.190 179.689 177.584 -0.141 0.000 1.186 178 A CA 1.362 53.397 52.037 -0.003 0.000 0.616 178 A CB -0.602 18.413 19.000 0.025 0.000 0.823 178 A HN 0.298 nan 8.150 nan 0.000 0.442 179 L N 0.310 121.393 121.223 -0.232 0.000 2.046 179 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 179 L C 2.162 178.720 176.870 -0.519 0.000 1.077 179 L CA 2.392 56.975 54.840 -0.429 0.000 0.747 179 L CB -0.678 41.155 42.059 -0.377 0.000 0.896 179 L HN 0.530 nan 8.230 nan 0.000 0.432 180 E N -1.124 118.911 120.200 -0.276 0.000 2.110 180 E HA -0.294 4.056 4.350 -0.001 0.000 0.193 180 E C 2.081 178.621 176.600 -0.099 0.000 0.988 180 E CA 1.163 57.477 56.400 -0.143 0.000 0.804 180 E CB -0.113 29.533 29.700 -0.090 0.000 0.745 180 E HN 0.512 nan 8.360 nan 0.000 0.458 181 Q N 0.441 120.193 119.800 -0.081 0.000 2.119 181 Q HA -0.130 4.209 4.340 -0.001 0.000 0.201 181 Q C 1.930 177.907 176.000 -0.038 0.000 0.972 181 Q CA 1.427 57.223 55.803 -0.011 0.000 0.847 181 Q CB 0.031 28.806 28.738 0.061 0.000 0.903 181 Q HN 0.140 nan 8.270 nan 0.000 0.433 182 M N -0.804 118.713 119.600 -0.138 0.000 2.296 182 M HA -0.082 4.398 4.480 -0.001 0.000 0.265 182 M C 1.753 177.973 176.300 -0.133 0.000 1.064 182 M CA 1.546 56.770 55.300 -0.126 0.000 1.109 182 M CB -1.111 31.382 32.600 -0.180 0.000 1.396 182 M HN 0.423 nan 8.290 nan 0.000 0.430 183 H N -0.706 118.212 119.070 -0.254 0.000 2.395 183 H HA 0.014 4.570 4.556 -0.001 0.000 0.299 183 H C 2.286 177.574 175.328 -0.067 0.000 1.070 183 H CA 0.806 56.732 56.048 -0.203 0.000 1.356 183 H CB 0.268 29.898 29.762 -0.221 0.000 1.401 183 H HN 0.308 nan 8.280 nan 0.000 0.524 184 R N 0.172 120.717 120.500 0.076 0.000 2.090 184 R HA -0.034 4.306 4.340 -0.001 0.000 0.228 184 R C 0.233 176.568 176.300 0.058 0.000 1.110 184 R CA 0.820 56.953 56.100 0.055 0.000 0.973 184 R CB 0.181 30.505 30.300 0.040 0.000 0.869 184 R HN 0.126 nan 8.270 nan 0.000 0.440 185 N N -0.194 118.544 118.700 0.062 0.000 2.640 185 N HA 0.108 4.847 4.740 -0.001 0.000 0.262 185 N C -2.346 173.221 175.510 0.094 0.000 1.174 185 N CA -1.986 51.107 53.050 0.072 0.000 0.791 185 N CB 1.618 40.143 38.487 0.064 0.000 1.279 185 N HN -0.184 nan 8.380 nan 0.000 0.535 186 P HA -0.033 nan 4.420 nan 0.000 0.234 186 P C 0.101 177.486 177.300 0.141 0.000 1.167 186 P CA 0.847 64.050 63.100 0.173 0.000 0.763 186 P CB 0.403 32.224 31.700 0.202 0.000 0.835 187 K N -0.675 119.791 120.400 0.111 0.000 2.399 187 K HA 0.146 4.466 4.320 -0.001 0.000 0.204 187 K C 0.222 176.887 176.600 0.108 0.000 1.023 187 K CA -0.049 56.300 56.287 0.103 0.000 1.127 187 K CB 0.087 32.635 32.500 0.079 0.000 0.856 187 K HN 0.005 nan 8.250 nan 0.000 0.514 188 T N 3.412 118.035 114.554 0.115 0.000 2.866 188 T HA -0.045 4.305 4.350 -0.001 0.000 0.293 188 T C 0.405 175.204 174.700 0.164 0.000 1.005 188 T CA 0.443 62.615 62.100 0.120 0.000 1.162 188 T CB 0.160 69.099 68.868 0.118 0.000 0.968 188 T HN 0.387 nan 8.240 nan 0.000 0.530 189 R N 2.510 123.090 120.500 0.133 0.000 2.856 189 R HA 0.588 4.928 4.340 -0.001 0.000 0.258 189 R C -0.400 175.961 176.300 0.103 0.000 1.066 189 R CA -1.258 54.920 56.100 0.130 0.000 1.045 189 R CB 1.255 31.584 30.300 0.047 0.000 1.178 189 R HN 0.405 nan 8.270 nan 0.000 0.499 190 R N -0.131 120.346 120.500 -0.038 0.000 2.523 190 R HA 0.032 4.372 4.340 -0.001 0.000 0.281 190 R C 0.765 177.031 176.300 -0.056 0.000 0.969 190 R CA 1.871 57.876 56.100 -0.158 0.000 1.093 190 R CB 0.067 30.086 30.300 -0.468 0.000 0.917 190 R HN 1.034 nan 8.270 nan 0.000 0.408 191 G N 2.159 110.956 108.800 -0.005 0.000 2.241 191 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.244 191 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.244 191 G C 0.746 175.650 174.900 0.006 0.000 0.998 191 G CA 0.395 45.490 45.100 -0.008 0.000 0.621 191 G HN 0.697 nan 8.290 nan 0.000 0.519 192 E N -0.045 120.173 120.200 0.029 0.000 2.230 192 E HA 0.048 4.397 4.350 -0.001 0.000 0.192 192 E C 0.889 177.506 176.600 0.028 0.000 0.987 192 E CA 0.516 56.933 56.400 0.029 0.000 0.841 192 E CB 0.199 29.925 29.700 0.044 0.000 0.783 192 E HN 0.465 nan 8.360 nan 0.000 0.481 193 N N 0.377 119.102 118.700 0.042 0.000 2.260 193 N HA -0.021 4.719 4.740 -0.001 0.000 0.293 193 N C 0.399 175.892 175.510 -0.029 0.000 1.058 193 N CA 0.004 53.068 53.050 0.023 0.000 0.824 193 N CB 1.887 40.425 38.487 0.084 0.000 1.551 193 N HN 0.002 nan 8.380 nan 0.000 0.475 194 E N 2.292 122.382 120.200 -0.183 0.000 2.110 194 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 194 E C 0.695 177.104 176.600 -0.319 0.000 0.988 194 E CA 1.110 57.300 56.400 -0.349 0.000 0.804 194 E CB -0.166 29.155 29.700 -0.632 0.000 0.745 194 E HN 0.689 nan 8.360 nan 0.000 0.458 195 W N 1.027 122.352 121.300 0.043 0.000 2.409 195 W HA 0.006 4.666 4.660 -0.001 0.000 0.299 195 W C 2.400 178.951 176.519 0.052 0.000 1.203 195 W CA 0.205 57.577 57.345 0.046 0.000 1.298 195 W CB -0.223 29.250 29.460 0.022 0.000 1.127 195 W HN -0.096 nan 8.180 nan 0.000 0.528 196 V N 0.704 120.761 119.914 0.239 0.000 2.407 196 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 196 V C 1.668 177.880 176.094 0.197 0.000 1.055 196 V CA 2.045 64.439 62.300 0.157 0.000 1.049 196 V CB -0.797 31.122 31.823 0.159 0.000 0.662 196 V HN 0.069 nan 8.190 nan 0.000 0.455 197 D N -0.202 120.325 120.400 0.211 0.000 2.218 197 D HA -0.115 4.525 4.640 -0.001 0.000 0.204 197 D C 2.228 178.660 176.300 0.219 0.000 0.976 197 D CA 0.782 54.931 54.000 0.249 0.000 0.853 197 D CB -0.152 40.722 40.800 0.124 0.000 0.939 197 D HN 0.277 nan 8.370 nan 0.000 0.481 198 K N 0.437 120.948 120.400 0.185 0.000 2.148 198 K HA -0.027 4.293 4.320 -0.001 0.000 0.204 198 K C 1.975 178.740 176.600 0.275 0.000 1.050 198 K CA 0.261 56.684 56.287 0.227 0.000 0.942 198 K CB -0.145 32.520 32.500 0.275 0.000 0.724 198 K HN 0.224 nan 8.250 nan 0.000 0.446 199 I N -0.939 119.726 120.570 0.159 0.000 2.315 199 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 199 I C 2.064 178.108 176.117 -0.121 0.000 1.117 199 I CA 0.917 62.181 61.300 -0.060 0.000 1.404 199 I CB -1.139 36.705 38.000 -0.259 0.000 1.071 199 I HN 0.190 nan 8.210 nan 0.000 0.419 200 W N 1.687 123.019 121.300 0.053 0.000 2.402 200 W HA -0.130 4.529 4.660 -0.001 0.000 0.286 200 W C 2.565 179.120 176.519 0.060 0.000 1.221 200 W CA 0.574 57.943 57.345 0.041 0.000 1.257 200 W CB -0.178 29.304 29.460 0.036 0.000 1.120 200 W HN 0.174 nan 8.180 nan 0.000 0.551 201 E N -0.043 120.330 120.200 0.289 0.000 2.110 201 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 201 E C 2.015 178.731 176.600 0.193 0.000 0.988 201 E CA 1.366 57.896 56.400 0.216 0.000 0.804 201 E CB -0.434 29.368 29.700 0.170 0.000 0.745 201 E HN 0.181 nan 8.360 nan 0.000 0.458 202 L N 0.828 122.158 121.223 0.177 0.000 2.027 202 L HA -0.132 4.207 4.340 -0.001 0.000 0.206 202 L C 2.040 178.951 176.870 0.067 0.000 1.074 202 L CA 1.453 56.371 54.840 0.129 0.000 0.745 202 L CB -0.328 41.786 42.059 0.092 0.000 0.898 202 L HN 0.089 nan 8.230 nan 0.000 0.433 203 L N -0.517 120.725 121.223 0.031 0.000 2.046 203 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 203 L C 2.195 179.176 176.870 0.185 0.000 1.077 203 L CA 1.314 56.181 54.840 0.045 0.000 0.747 203 L CB -0.764 41.295 42.059 -0.000 0.000 0.896 203 L HN 0.281 nan 8.230 nan 0.000 0.432 204 D N -0.071 120.480 120.400 0.252 0.000 2.178 204 D HA -0.121 4.518 4.640 -0.001 0.000 0.202 204 D C 2.216 178.646 176.300 0.217 0.000 0.974 204 D CA 1.360 55.500 54.000 0.234 0.000 0.841 204 D CB -0.001 40.931 40.800 0.219 0.000 0.953 204 D HN 0.315 nan 8.370 nan 0.000 0.478 205 A N 1.280 124.232 122.820 0.219 0.000 1.898 205 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 205 A C 2.322 180.069 177.584 0.272 0.000 1.181 205 A CA 1.221 53.430 52.037 0.287 0.000 0.620 205 A CB -0.789 18.307 19.000 0.161 0.000 0.819 205 A HN 0.402 nan 8.150 nan 0.000 0.442 206 I N -2.679 117.986 120.570 0.158 0.000 2.315 206 I HA -0.157 4.013 4.170 -0.001 0.000 0.248 206 I C 1.495 177.739 176.117 0.211 0.000 1.117 206 I CA 1.951 63.328 61.300 0.128 0.000 1.404 206 I CB -0.644 37.322 38.000 -0.057 0.000 1.071 206 I HN 0.017 nan 8.210 nan 0.000 0.419 207 D N 1.824 122.368 120.400 0.240 0.000 2.117 207 D HA -0.211 4.428 4.640 -0.001 0.000 0.197 207 D C 2.201 178.573 176.300 0.119 0.000 0.987 207 D CA 2.085 56.231 54.000 0.244 0.000 0.829 207 D CB -0.094 40.836 40.800 0.217 0.000 0.961 207 D HN 0.777 nan 8.370 nan 0.000 0.460 208 E N -1.471 118.782 120.200 0.087 0.000 2.415 208 E HA -0.057 4.293 4.350 -0.001 0.000 0.197 208 E C 1.301 177.740 176.600 -0.268 0.000 1.007 208 E CA 0.305 56.658 56.400 -0.080 0.000 0.890 208 E CB -0.217 29.407 29.700 -0.126 0.000 0.891 208 E HN 0.318 nan 8.360 nan 0.000 0.496 209 Y N 1.104 121.330 120.300 -0.123 0.000 2.524 209 Y HA 0.324 4.874 4.550 -0.001 0.000 0.270 209 Y C 1.048 176.629 175.900 -0.531 0.000 1.094 209 Y CA -0.202 57.675 58.100 -0.371 0.000 1.276 209 Y CB 0.787 39.040 38.460 -0.345 0.000 1.130 209 Y HN -0.094 nan 8.280 nan 0.000 0.536 210 I N 3.289 123.814 120.570 -0.074 0.000 2.322 210 I HA 0.173 4.343 4.170 -0.001 0.000 0.292 210 I C -2.313 173.799 176.117 -0.007 0.000 1.060 210 I CA -2.011 59.282 61.300 -0.012 0.000 1.309 210 I CB 0.704 38.779 38.000 0.126 0.000 1.415 210 I HN -0.151 nan 8.210 nan 0.000 0.492 211 P HA 0.040 nan 4.420 nan 0.000 0.269 211 P C -0.405 176.907 177.300 0.019 0.000 1.209 211 P CA -0.161 62.936 63.100 -0.005 0.000 0.776 211 P CB 0.344 32.053 31.700 0.016 0.000 0.876 212 T N 5.289 119.846 114.554 0.006 0.000 2.829 212 T HA 0.161 4.511 4.350 -0.001 0.000 0.293 212 T C -1.738 172.973 174.700 0.019 0.000 0.970 212 T CA -0.575 61.527 62.100 0.004 0.000 1.168 212 T CB -0.580 68.285 68.868 -0.005 0.000 0.911 212 T HN 0.396 nan 8.240 nan 0.000 0.535 213 P HA 0.263 nan 4.420 nan 0.000 0.272 213 P C -1.061 176.262 177.300 0.038 0.000 1.223 213 P CA -0.404 62.720 63.100 0.040 0.000 0.784 213 P CB 0.713 32.441 31.700 0.047 0.000 0.923 214 V N 4.202 124.141 119.914 0.041 0.000 2.376 214 V HA 0.244 4.363 4.120 -0.001 0.000 0.287 214 V C 0.599 176.718 176.094 0.043 0.000 1.015 214 V CA -0.893 61.429 62.300 0.038 0.000 0.834 214 V CB 1.157 33.000 31.823 0.034 0.000 1.001 214 V HN 0.492 nan 8.190 nan 0.000 0.428 215 R N 2.189 122.716 120.500 0.045 0.000 2.570 215 R HA 0.094 4.434 4.340 -0.001 0.000 0.277 215 R C 0.183 176.511 176.300 0.046 0.000 1.039 215 R CA -0.367 55.763 56.100 0.049 0.000 1.065 215 R CB 0.093 30.423 30.300 0.050 0.000 0.964 215 R HN 0.653 nan 8.270 nan 0.000 0.428 216 D N 2.834 123.263 120.400 0.049 0.000 2.801 216 D HA 0.002 4.642 4.640 -0.001 0.000 0.232 216 D C 1.131 177.462 176.300 0.051 0.000 1.128 216 D CA -0.040 53.987 54.000 0.046 0.000 1.003 216 D CB 0.034 40.860 40.800 0.043 0.000 1.110 216 D HN 0.356 nan 8.370 nan 0.000 0.477 217 V N -1.426 118.518 119.914 0.050 0.000 3.235 217 V HA 0.119 4.239 4.120 -0.001 0.000 0.259 217 V C 0.471 176.595 176.094 0.051 0.000 1.133 217 V CA 0.347 62.681 62.300 0.056 0.000 1.128 217 V CB -0.009 31.843 31.823 0.047 0.000 0.757 217 V HN 0.038 nan 8.190 nan 0.000 0.469 218 D N 2.626 123.051 120.400 0.041 0.000 2.994 218 D HA 0.362 5.002 4.640 -0.001 0.000 0.240 218 D C 0.155 176.477 176.300 0.038 0.000 1.195 218 D CA 0.384 54.406 54.000 0.036 0.000 0.957 218 D CB 0.129 40.946 40.800 0.029 0.000 1.105 218 D HN 0.532 nan 8.370 nan 0.000 0.477 219 K N 0.555 120.984 120.400 0.048 0.000 2.579 219 K HA 0.373 4.692 4.320 -0.001 0.000 0.284 219 K C -2.882 173.757 176.600 0.066 0.000 0.990 219 K CA -1.462 54.853 56.287 0.047 0.000 0.880 219 K CB 1.778 34.302 32.500 0.040 0.000 1.488 219 K HN -0.106 nan 8.250 nan 0.000 0.425 220 P HA 0.106 nan 4.420 nan 0.000 0.271 220 P C -0.249 177.120 177.300 0.116 0.000 1.216 220 P CA -0.321 62.830 63.100 0.086 0.000 0.776 220 P CB 0.239 31.972 31.700 0.055 0.000 0.881 221 F N 4.322 124.277 119.950 0.008 0.000 2.607 221 F HA 0.266 4.793 4.527 -0.000 0.000 0.374 221 F C -0.404 175.401 175.800 0.009 0.000 1.104 221 F CA 0.157 58.162 58.000 0.008 0.000 1.296 221 F CB 0.028 39.032 39.000 0.006 0.000 1.085 221 F HN 0.244 nan 8.300 nan 0.000 0.584 222 L N 8.556 129.266 121.223 -0.856 0.000 2.526 222 L HA 0.473 4.813 4.340 -0.001 0.000 0.263 222 L C -1.766 174.632 176.870 -0.786 0.000 0.943 222 L CA -0.562 53.776 54.840 -0.837 0.000 0.859 222 L CB 1.658 43.518 42.059 -0.333 0.000 1.313 222 L HN 0.845 nan 8.230 nan 0.000 0.406 223 M N 6.885 126.060 119.600 -0.710 0.000 2.165 223 M HA 0.575 5.055 4.480 -0.001 0.000 0.283 223 M C -2.782 173.433 176.300 -0.143 0.000 0.978 223 M CA -1.536 53.587 55.300 -0.294 0.000 0.948 223 M CB 2.637 35.174 32.600 -0.105 0.000 1.599 223 M HN 0.254 nan 8.290 nan 0.000 0.450 224 P HA 0.148 nan 4.420 nan 0.000 0.275 224 P C -0.908 176.394 177.300 0.002 0.000 1.227 224 P CA -0.379 62.706 63.100 -0.025 0.000 0.781 224 P CB 0.790 32.495 31.700 0.007 0.000 0.906 225 V N 3.492 123.410 119.914 0.006 0.000 2.427 225 V HA 0.021 4.140 4.120 -0.001 0.000 0.268 225 V C 1.668 177.777 176.094 0.024 0.000 1.046 225 V CA 0.487 62.798 62.300 0.019 0.000 0.970 225 V CB 0.507 32.335 31.823 0.007 0.000 1.001 225 V HN 0.607 nan 8.190 nan 0.000 0.476 226 E N 3.897 124.120 120.200 0.038 0.000 2.060 226 E HA -0.003 4.347 4.350 -0.001 0.000 0.189 226 E C 0.502 177.113 176.600 0.018 0.000 0.974 226 E CA 1.115 57.542 56.400 0.045 0.000 0.808 226 E CB 0.309 30.051 29.700 0.070 0.000 0.768 226 E HN 0.791 nan 8.360 nan 0.000 0.453 227 D N -1.850 118.549 120.400 -0.002 0.000 2.639 227 D HA 0.357 4.996 4.640 -0.001 0.000 0.271 227 D C -1.698 174.469 176.300 -0.222 0.000 1.254 227 D CA -0.579 53.333 54.000 -0.147 0.000 0.810 227 D CB 1.924 42.629 40.800 -0.158 0.000 1.351 227 D HN -0.114 nan 8.370 nan 0.000 0.427 228 V N 1.498 121.113 119.914 -0.498 0.000 2.760 228 V HA 0.657 4.777 4.120 -0.001 0.000 0.309 228 V C -0.936 174.767 176.094 -0.651 0.000 1.077 228 V CA -0.631 61.455 62.300 -0.356 0.000 0.910 228 V CB 1.705 33.426 31.823 -0.171 0.000 1.008 228 V HN 0.430 nan 8.190 nan 0.000 0.424 229 F N 0.560 120.515 119.950 0.008 0.000 2.588 229 F HA 0.656 5.183 4.527 -0.000 0.000 0.314 229 F C 0.315 176.118 175.800 0.005 0.000 1.069 229 F CA -0.699 57.305 58.000 0.006 0.000 0.931 229 F CB 2.505 41.507 39.000 0.004 0.000 1.260 229 F HN 0.271 nan 8.300 nan 0.000 0.465 230 T N 3.561 118.229 114.554 0.190 0.000 2.821 230 T HA 0.508 4.857 4.350 -0.001 0.000 0.307 230 T C -0.198 174.562 174.700 0.100 0.000 1.034 230 T CA -0.327 61.837 62.100 0.107 0.000 0.953 230 T CB 0.131 69.037 68.868 0.062 0.000 0.968 230 T HN 0.297 nan 8.240 nan 0.000 0.462 231 I N 3.458 124.074 120.570 0.078 0.000 2.337 231 I HA 0.120 4.289 4.170 -0.001 0.000 0.291 231 I C 0.910 177.045 176.117 0.030 0.000 1.046 231 I CA -0.549 60.778 61.300 0.045 0.000 1.324 231 I CB 0.677 38.693 38.000 0.026 0.000 1.409 231 I HN 0.500 nan 8.210 nan 0.000 0.494 232 T N 6.013 120.582 114.554 0.025 0.000 2.765 232 T HA 0.044 4.393 4.350 -0.001 0.000 0.275 232 T C 1.263 175.970 174.700 0.012 0.000 1.007 232 T CA 1.279 63.390 62.100 0.018 0.000 1.175 232 T CB 0.339 69.215 68.868 0.014 0.000 0.993 232 T HN 1.103 nan 8.240 nan 0.000 0.510 233 G N 4.053 112.860 108.800 0.011 0.000 2.498 233 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.229 233 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.229 233 G C 1.325 176.230 174.900 0.008 0.000 1.156 233 G CA 0.475 45.580 45.100 0.008 0.000 0.680 233 G HN 0.618 nan 8.290 nan 0.000 0.512 234 R N 1.105 121.611 120.500 0.010 0.000 2.062 234 R HA 0.392 4.732 4.340 -0.001 0.000 0.226 234 R C 1.641 177.949 176.300 0.014 0.000 1.125 234 R CA 1.669 57.775 56.100 0.009 0.000 0.966 234 R CB -0.230 30.075 30.300 0.008 0.000 0.861 234 R HN 1.577 nan 8.270 nan 0.000 0.433 235 G N -0.559 108.254 108.800 0.022 0.000 2.298 235 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.309 235 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.309 235 G C -1.008 173.916 174.900 0.040 0.000 1.279 235 G CA -0.756 44.359 45.100 0.026 0.000 1.042 235 G HN 0.069 nan 8.290 nan 0.000 0.480 236 T N 0.627 115.205 114.554 0.039 0.000 2.780 236 T HA 0.534 4.884 4.350 -0.001 0.000 0.294 236 T C 0.067 174.806 174.700 0.064 0.000 0.949 236 T CA -0.091 62.040 62.100 0.051 0.000 1.074 236 T CB 1.359 70.247 68.868 0.033 0.000 0.910 236 T HN 0.918 nan 8.240 nan 0.000 0.501 237 V N 2.872 122.849 119.914 0.104 0.000 2.409 237 V HA 0.695 4.815 4.120 -0.001 0.000 0.291 237 V C 0.112 176.300 176.094 0.155 0.000 1.020 237 V CA -1.077 61.298 62.300 0.124 0.000 0.848 237 V CB 1.470 33.378 31.823 0.141 0.000 0.990 237 V HN 1.041 nan 8.190 nan 0.000 0.430 238 A N 3.624 126.512 122.820 0.113 0.000 2.260 238 A HA 0.772 5.092 4.320 -0.001 0.000 0.314 238 A C 0.379 178.037 177.584 0.125 0.000 1.257 238 A CA -0.364 51.733 52.037 0.100 0.000 0.871 238 A CB 0.729 19.771 19.000 0.069 0.000 1.166 238 A HN 0.911 nan 8.150 nan 0.000 0.522 239 T N 0.006 114.654 114.554 0.156 0.000 2.934 239 T HA 0.862 5.211 4.350 -0.001 0.000 0.283 239 T C 0.287 175.045 174.700 0.098 0.000 1.005 239 T CA -0.068 62.117 62.100 0.141 0.000 1.041 239 T CB 1.753 70.748 68.868 0.212 0.000 1.042 239 T HN 2.004 nan 8.240 nan 0.000 0.505 240 G N 0.237 109.083 108.800 0.078 0.000 2.328 240 G HA2 0.441 4.400 3.960 -0.001 0.000 0.295 240 G HA3 0.441 4.400 3.960 -0.001 0.000 0.295 240 G C -1.766 173.169 174.900 0.057 0.000 1.413 240 G CA -1.224 43.914 45.100 0.064 0.000 0.817 240 G HN 0.828 nan 8.290 nan 0.000 0.546 241 R N 0.420 120.951 120.500 0.052 0.000 2.295 241 R HA 0.558 4.897 4.340 -0.001 0.000 0.324 241 R C 0.049 176.381 176.300 0.053 0.000 0.968 241 R CA -0.765 55.366 56.100 0.052 0.000 0.837 241 R CB 0.540 30.871 30.300 0.053 0.000 1.133 241 R HN 0.446 nan 8.270 nan 0.000 0.450 242 I N 4.259 124.878 120.570 0.081 0.000 2.662 242 I HA -0.118 4.051 4.170 -0.001 0.000 0.285 242 I C 1.520 177.667 176.117 0.050 0.000 1.161 242 I CA 0.586 61.945 61.300 0.099 0.000 1.415 242 I CB 0.881 39.005 38.000 0.206 0.000 1.385 242 I HN 0.805 nan 8.210 nan 0.000 0.552 243 E N 7.241 127.435 120.200 -0.009 0.000 2.122 243 E HA -0.024 4.326 4.350 -0.001 0.000 0.190 243 E C 0.315 176.921 176.600 0.011 0.000 0.977 243 E CA 0.493 56.890 56.400 -0.004 0.000 0.820 243 E CB 0.486 30.166 29.700 -0.034 0.000 0.770 243 E HN 0.707 nan 8.360 nan 0.000 0.462 244 R N -2.009 118.494 120.500 0.005 0.000 2.692 244 R HA 0.535 4.874 4.340 -0.001 0.000 0.269 244 R C 0.037 176.401 176.300 0.106 0.000 1.030 244 R CA -0.540 55.585 56.100 0.041 0.000 0.882 244 R CB 0.868 31.177 30.300 0.015 0.000 1.250 244 R HN 0.110 nan 8.270 nan 0.000 0.465 245 G N 1.190 110.063 108.800 0.121 0.000 2.598 245 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.244 245 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.244 245 G C -1.205 173.818 174.900 0.205 0.000 1.302 245 G CA 0.027 45.231 45.100 0.173 0.000 0.903 245 G HN 0.725 nan 8.290 nan 0.000 0.575 246 K N -1.583 118.928 120.400 0.185 0.000 2.512 246 K HA 0.703 5.023 4.320 -0.001 0.000 0.263 246 K C -1.338 175.139 176.600 -0.205 0.000 0.966 246 K CA -0.738 55.576 56.287 0.044 0.000 0.851 246 K CB 3.114 35.615 32.500 0.001 0.000 1.395 246 K HN 1.014 nan 8.250 nan 0.000 0.440 247 V N 1.784 121.475 119.914 -0.371 0.000 2.686 247 V HA 0.488 4.608 4.120 -0.001 0.000 0.306 247 V C -1.698 174.212 176.094 -0.306 0.000 1.065 247 V CA -0.528 61.395 62.300 -0.629 0.000 0.894 247 V CB 1.718 32.845 31.823 -1.160 0.000 1.004 247 V HN 0.656 nan 8.190 nan 0.000 0.424 248 K N 4.434 124.690 120.400 -0.239 0.000 2.328 248 K HA 0.655 4.974 4.320 -0.001 0.000 0.246 248 K C -1.065 175.463 176.600 -0.121 0.000 0.955 248 K CA -0.929 55.273 56.287 -0.141 0.000 0.817 248 K CB 2.488 34.929 32.500 -0.099 0.000 1.208 248 K HN 0.495 nan 8.250 nan 0.000 0.432 249 V N 1.702 121.565 119.914 -0.085 0.000 2.617 249 V HA 0.075 4.195 4.120 -0.001 0.000 0.304 249 V C 1.350 177.410 176.094 -0.057 0.000 1.040 249 V CA 1.939 64.200 62.300 -0.064 0.000 1.149 249 V CB 0.318 32.113 31.823 -0.046 0.000 0.914 249 V HN 1.171 nan 8.190 nan 0.000 0.487 250 G N 3.818 112.588 108.800 -0.050 0.000 2.213 250 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.236 250 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.236 250 G C -0.055 174.818 174.900 -0.044 0.000 0.991 250 G CA -0.012 45.064 45.100 -0.039 0.000 0.629 250 G HN 0.667 nan 8.290 nan 0.000 0.517 251 D N 1.761 122.121 120.400 -0.066 0.000 2.389 251 D HA 0.432 5.072 4.640 -0.001 0.000 0.247 251 D C 0.701 176.975 176.300 -0.042 0.000 1.128 251 D CA 0.265 54.224 54.000 -0.068 0.000 0.884 251 D CB 0.707 41.430 40.800 -0.130 0.000 1.194 251 D HN 0.518 nan 8.370 nan 0.000 0.441 252 E N 0.418 120.607 120.200 -0.019 0.000 2.313 252 E HA 0.390 4.740 4.350 -0.001 0.000 0.276 252 E C -0.255 176.361 176.600 0.026 0.000 1.031 252 E CA -0.637 55.765 56.400 0.002 0.000 0.857 252 E CB 1.338 31.041 29.700 0.007 0.000 1.040 252 E HN 0.257 nan 8.360 nan 0.000 0.408 253 V N -0.554 119.387 119.914 0.046 0.000 3.078 253 V HA 0.524 4.643 4.120 -0.001 0.000 0.311 253 V C -0.690 175.446 176.094 0.070 0.000 1.138 253 V CA -1.033 61.325 62.300 0.097 0.000 1.007 253 V CB 2.076 33.998 31.823 0.164 0.000 1.045 253 V HN 0.595 nan 8.190 nan 0.000 0.432 254 E N 1.686 121.927 120.200 0.070 0.000 2.202 254 E HA 0.652 5.002 4.350 -0.001 0.000 0.272 254 E C -1.264 175.351 176.600 0.025 0.000 0.951 254 E CA -0.823 55.597 56.400 0.032 0.000 0.813 254 E CB 2.650 32.357 29.700 0.013 0.000 1.151 254 E HN 0.686 nan 8.360 nan 0.000 0.398 255 I N 2.891 123.466 120.570 0.008 0.000 2.328 255 I HA 0.226 4.396 4.170 -0.001 0.000 0.287 255 I C -0.790 175.311 176.117 -0.026 0.000 1.012 255 I CA -0.671 60.627 61.300 -0.003 0.000 1.195 255 I CB 1.107 39.106 38.000 -0.001 0.000 1.350 255 I HN 0.107 nan 8.210 nan 0.000 0.464 256 V N 5.320 125.209 119.914 -0.041 0.000 2.555 256 V HA 0.943 5.063 4.120 -0.001 0.000 0.302 256 V C 0.378 176.428 176.094 -0.075 0.000 1.038 256 V CA -0.525 61.736 62.300 -0.065 0.000 0.887 256 V CB 1.235 33.012 31.823 -0.077 0.000 0.991 256 V HN 1.040 nan 8.190 nan 0.000 0.434 257 G N 2.496 111.243 108.800 -0.088 0.000 2.587 257 G HA2 0.113 4.072 3.960 -0.001 0.000 0.686 257 G HA3 0.113 4.072 3.960 -0.001 0.000 0.686 257 G C -0.184 174.675 174.900 -0.068 0.000 1.236 257 G CA -0.374 44.671 45.100 -0.092 0.000 0.820 257 G HN 1.271 nan 8.290 nan 0.000 0.645 258 L N -1.667 119.515 121.223 -0.067 0.000 4.373 258 L HA -0.315 4.025 4.340 -0.001 0.000 0.371 258 L C 2.187 179.031 176.870 -0.044 0.000 1.222 258 L CA 2.375 57.185 54.840 -0.049 0.000 2.643 258 L CB -1.732 40.306 42.059 -0.035 0.000 1.094 258 L HN 2.399 nan 8.230 nan 0.000 0.692 259 A N 0.167 122.961 122.820 -0.043 0.000 2.327 259 A HA 0.403 4.723 4.320 -0.001 0.000 0.255 259 A C -1.190 176.369 177.584 -0.043 0.000 1.099 259 A CA -0.012 52.002 52.037 -0.038 0.000 0.801 259 A CB -0.257 18.723 19.000 -0.034 0.000 1.062 259 A HN 0.209 nan 8.150 nan 0.000 0.496 260 P HA -0.013 nan 4.420 nan 0.000 0.220 260 P C -0.237 177.037 177.300 -0.043 0.000 1.148 260 P CA 1.290 64.368 63.100 -0.037 0.000 0.803 260 P CB 0.189 31.872 31.700 -0.028 0.000 0.782 261 E N -2.969 117.205 120.200 -0.043 0.000 2.412 261 E HA 0.300 4.650 4.350 -0.001 0.000 0.279 261 E C -0.826 175.746 176.600 -0.047 0.000 0.984 261 E CA -0.766 55.606 56.400 -0.046 0.000 0.788 261 E CB 1.035 30.714 29.700 -0.035 0.000 1.277 261 E HN -0.345 nan 8.360 nan 0.000 0.455 262 T N 1.829 116.353 114.554 -0.051 0.000 2.918 262 T HA 0.233 4.582 4.350 -0.001 0.000 0.302 262 T C -0.155 174.527 174.700 -0.029 0.000 1.045 262 T CA -0.268 61.805 62.100 -0.045 0.000 1.114 262 T CB 0.263 69.100 68.868 -0.051 0.000 0.965 262 T HN 0.112 nan 8.240 nan 0.000 0.540 263 R N 2.050 122.537 120.500 -0.021 0.000 2.740 263 R HA 0.431 4.771 4.340 -0.001 0.000 0.282 263 R C -0.214 176.084 176.300 -0.004 0.000 0.969 263 R CA -0.884 55.209 56.100 -0.012 0.000 0.918 263 R CB 2.064 32.358 30.300 -0.010 0.000 1.175 263 R HN 0.728 nan 8.270 nan 0.000 0.464 264 K N -0.344 120.056 120.400 -0.000 0.000 2.156 264 K HA 0.670 4.990 4.320 -0.001 0.000 0.254 264 K C -0.396 176.210 176.600 0.009 0.000 0.950 264 K CA -0.627 55.664 56.287 0.007 0.000 0.849 264 K CB 2.252 34.755 32.500 0.005 0.000 1.100 264 K HN 0.487 nan 8.250 nan 0.000 0.434 265 T N 0.045 114.608 114.554 0.015 0.000 2.665 265 T HA 0.433 4.783 4.350 -0.001 0.000 0.303 265 T C -1.734 172.973 174.700 0.012 0.000 1.334 265 T CA -0.663 61.445 62.100 0.013 0.000 1.011 265 T CB 1.640 70.518 68.868 0.016 0.000 1.573 265 T HN 0.364 nan 8.240 nan 0.000 0.492 266 V N 1.675 121.593 119.914 0.007 0.000 2.735 266 V HA 0.576 4.696 4.120 -0.001 0.000 0.310 266 V C -0.180 175.910 176.094 -0.006 0.000 1.061 266 V CA -0.819 61.479 62.300 -0.002 0.000 0.913 266 V CB 1.985 33.804 31.823 -0.007 0.000 1.005 266 V HN 0.794 nan 8.190 nan 0.000 0.428 267 V N 3.854 123.755 119.914 -0.022 0.000 2.470 267 V HA 0.206 4.326 4.120 -0.001 0.000 0.276 267 V C 1.294 177.370 176.094 -0.029 0.000 1.040 267 V CA 0.755 63.036 62.300 -0.030 0.000 1.008 267 V CB 1.198 32.977 31.823 -0.073 0.000 0.990 267 V HN 1.135 nan 8.190 nan 0.000 0.477 268 T N 0.517 115.060 114.554 -0.018 0.000 3.044 268 T HA 0.482 4.831 4.350 -0.001 0.000 0.260 268 T C 0.534 175.223 174.700 -0.018 0.000 1.019 268 T CA 0.329 62.419 62.100 -0.017 0.000 0.921 268 T CB 0.489 69.352 68.868 -0.008 0.000 1.053 268 T HN 1.016 nan 8.240 nan 0.000 0.533 269 G N 0.134 108.922 108.800 -0.021 0.000 2.616 269 G HA2 0.515 4.475 3.960 -0.001 0.000 0.294 269 G HA3 0.515 4.475 3.960 -0.001 0.000 0.294 269 G C -2.118 172.768 174.900 -0.024 0.000 1.489 269 G CA -0.586 44.501 45.100 -0.021 0.000 0.836 269 G HN 0.259 nan 8.290 nan 0.000 0.527 270 V N 1.260 121.157 119.914 -0.029 0.000 2.623 270 V HA 0.688 4.807 4.120 -0.001 0.000 0.304 270 V C -0.450 175.627 176.094 -0.030 0.000 1.054 270 V CA -0.750 61.532 62.300 -0.030 0.000 0.882 270 V CB 1.540 33.336 31.823 -0.045 0.000 1.002 270 V HN 1.027 nan 8.190 nan 0.000 0.424 271 E N 4.811 124.992 120.200 -0.032 0.000 2.367 271 E HA 0.788 5.137 4.350 -0.001 0.000 0.273 271 E C -1.083 175.476 176.600 -0.068 0.000 0.903 271 E CA -1.106 55.269 56.400 -0.041 0.000 0.764 271 E CB 3.233 32.911 29.700 -0.037 0.000 1.252 271 E HN 0.558 nan 8.360 nan 0.000 0.446 272 M N 3.566 123.118 119.600 -0.079 0.000 2.124 272 M HA 0.261 4.741 4.480 -0.001 0.000 0.280 272 M C -0.834 175.402 176.300 -0.107 0.000 0.954 272 M CA -0.157 55.044 55.300 -0.165 0.000 0.958 272 M CB 0.561 33.083 32.600 -0.129 0.000 1.611 272 M HN 0.815 nan 8.290 nan 0.000 0.449 273 H N 2.015 121.051 119.070 -0.057 0.000 1.452 273 H HA -0.254 4.301 4.556 -0.001 0.000 0.090 273 H C 0.034 175.325 175.328 -0.062 0.000 0.625 273 H CA 2.235 58.243 56.048 -0.067 0.000 1.901 273 H CB -0.816 28.907 29.762 -0.066 0.000 2.257 273 H HN 0.828 nan 8.280 nan 0.000 0.961 274 R N 2.190 122.757 120.500 0.112 0.000 2.831 274 R HA 0.445 4.785 4.340 -0.001 0.000 0.337 274 R C -0.483 175.827 176.300 0.015 0.000 1.200 274 R CA -0.160 55.958 56.100 0.029 0.000 1.088 274 R CB 0.457 30.759 30.300 0.005 0.000 1.397 274 R HN 0.145 nan 8.270 nan 0.000 0.581 275 K N 0.830 121.241 120.400 0.018 0.000 2.345 275 K HA 0.293 4.613 4.320 -0.001 0.000 0.255 275 K C -0.907 175.686 176.600 -0.012 0.000 0.934 275 K CA -0.743 55.545 56.287 0.002 0.000 0.801 275 K CB 2.428 34.933 32.500 0.008 0.000 1.137 275 K HN -0.088 nan 8.250 nan 0.000 0.424 276 T N 3.854 118.399 114.554 -0.015 0.000 2.744 276 T HA 0.375 4.725 4.350 -0.001 0.000 0.291 276 T C -0.114 174.574 174.700 -0.021 0.000 0.957 276 T CA -0.490 61.599 62.100 -0.019 0.000 1.002 276 T CB 0.169 69.027 68.868 -0.017 0.000 0.919 276 T HN 0.261 nan 8.240 nan 0.000 0.468 277 L N 2.636 123.844 121.223 -0.025 0.000 2.303 277 L HA 0.494 4.834 4.340 -0.001 0.000 0.266 277 L C 0.997 177.847 176.870 -0.032 0.000 1.011 277 L CA -1.035 53.788 54.840 -0.028 0.000 0.818 277 L CB 1.515 43.556 42.059 -0.031 0.000 1.326 277 L HN 0.367 nan 8.230 nan 0.000 0.435 278 Q N 0.542 120.322 119.800 -0.033 0.000 2.352 278 Q HA 0.143 4.483 4.340 -0.001 0.000 0.212 278 Q C -0.335 175.634 176.000 -0.051 0.000 0.888 278 Q CA 0.298 56.078 55.803 -0.039 0.000 0.934 278 Q CB 0.937 29.655 28.738 -0.033 0.000 1.093 278 Q HN 0.721 nan 8.270 nan 0.000 0.523 279 E N -1.429 118.741 120.200 -0.050 0.000 2.375 279 E HA 0.607 4.956 4.350 -0.001 0.000 0.280 279 E C -1.107 175.463 176.600 -0.051 0.000 0.972 279 E CA -0.762 55.600 56.400 -0.064 0.000 0.782 279 E CB 1.385 31.051 29.700 -0.057 0.000 1.229 279 E HN -0.005 nan 8.360 nan 0.000 0.439 280 G N 2.509 111.273 108.800 -0.061 0.000 2.482 280 G HA2 0.668 4.627 3.960 -0.001 0.000 0.317 280 G HA3 0.668 4.627 3.960 -0.001 0.000 0.317 280 G C -0.497 174.405 174.900 0.002 0.000 1.241 280 G CA -0.941 44.145 45.100 -0.023 0.000 0.967 280 G HN 0.701 nan 8.290 nan 0.000 0.482 281 I N -0.902 119.688 120.570 0.033 0.000 3.002 281 I HA 0.856 5.026 4.170 -0.001 0.000 0.310 281 I C 0.526 176.694 176.117 0.086 0.000 1.087 281 I CA -1.509 59.827 61.300 0.060 0.000 1.017 281 I CB 2.197 40.220 38.000 0.039 0.000 1.226 281 I HN 0.679 nan 8.210 nan 0.000 0.443 282 A N 2.557 125.437 122.820 0.099 0.000 2.591 282 A HA 0.381 4.701 4.320 -0.001 0.000 0.244 282 A C 1.337 178.964 177.584 0.071 0.000 1.031 282 A CA 1.016 53.106 52.037 0.090 0.000 0.767 282 A CB -1.165 17.881 19.000 0.077 0.000 0.942 282 A HN 2.065 nan 8.150 nan 0.000 0.514 283 G N 2.083 110.924 108.800 0.069 0.000 2.213 283 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.236 283 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.236 283 G C -0.122 174.814 174.900 0.061 0.000 0.991 283 G CA 0.261 45.401 45.100 0.067 0.000 0.629 283 G HN 0.827 nan 8.290 nan 0.000 0.517 284 D N 1.045 121.477 120.400 0.053 0.000 2.256 284 D HA 0.353 4.993 4.640 -0.001 0.000 0.250 284 D C 0.263 176.578 176.300 0.025 0.000 1.093 284 D CA -0.129 53.889 54.000 0.030 0.000 0.882 284 D CB 0.516 41.328 40.800 0.021 0.000 1.185 284 D HN 0.409 nan 8.370 nan 0.000 0.437 285 N N 0.997 119.692 118.700 -0.008 0.000 2.420 285 N HA 0.316 5.056 4.740 -0.001 0.000 0.249 285 N C -0.342 175.124 175.510 -0.073 0.000 1.033 285 N CA -0.509 52.526 53.050 -0.026 0.000 0.944 285 N CB 1.205 39.664 38.487 -0.048 0.000 1.113 285 N HN 0.181 nan 8.380 nan 0.000 0.502 286 V N -0.711 119.187 119.914 -0.027 0.000 3.141 286 V HA 0.880 5.000 4.120 -0.001 0.000 0.312 286 V C 0.201 176.293 176.094 -0.003 0.000 1.157 286 V CA -0.995 61.285 62.300 -0.034 0.000 1.041 286 V CB 1.682 33.505 31.823 0.001 0.000 1.071 286 V HN 0.483 nan 8.190 nan 0.000 0.441 287 G N 0.392 109.185 108.800 -0.012 0.000 2.487 287 G HA2 0.603 4.563 3.960 -0.001 0.000 0.314 287 G HA3 0.603 4.563 3.960 -0.001 0.000 0.314 287 G C -1.096 173.820 174.900 0.028 0.000 1.267 287 G CA -0.575 44.538 45.100 0.022 0.000 0.937 287 G HN 0.965 nan 8.290 nan 0.000 0.481 288 V N 3.967 123.914 119.914 0.056 0.000 2.347 288 V HA 0.286 4.406 4.120 -0.001 0.000 0.280 288 V C -0.008 176.113 176.094 0.045 0.000 1.021 288 V CA -0.839 61.488 62.300 0.046 0.000 0.847 288 V CB 1.223 33.091 31.823 0.076 0.000 0.990 288 V HN 0.683 nan 8.190 nan 0.000 0.444 289 L N 7.283 128.521 121.223 0.025 0.000 2.319 289 L HA 0.504 4.844 4.340 -0.001 0.000 0.280 289 L C -0.518 176.364 176.870 0.020 0.000 1.099 289 L CA 0.519 55.374 54.840 0.025 0.000 0.828 289 L CB 0.550 42.616 42.059 0.012 0.000 1.150 289 L HN 0.517 nan 8.230 nan 0.000 0.442 290 L N 5.382 126.621 121.223 0.026 0.000 2.346 290 L HA 0.558 4.898 4.340 -0.001 0.000 0.276 290 L C 0.229 177.108 176.870 0.015 0.000 1.006 290 L CA -0.790 54.062 54.840 0.022 0.000 0.817 290 L CB 1.547 43.624 42.059 0.030 0.000 1.272 290 L HN 0.598 nan 8.230 nan 0.000 0.421 291 R N 1.232 121.738 120.500 0.009 0.000 2.537 291 R HA 0.267 4.606 4.340 -0.001 0.000 0.280 291 R C 1.171 177.475 176.300 0.007 0.000 1.058 291 R CA 1.251 57.355 56.100 0.006 0.000 1.057 291 R CB 0.536 30.837 30.300 0.002 0.000 0.973 291 R HN 0.895 nan 8.270 nan 0.000 0.438 292 G N 2.736 111.540 108.800 0.006 0.000 2.934 292 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.231 292 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.231 292 G C 0.293 175.197 174.900 0.006 0.000 1.235 292 G CA 0.518 45.621 45.100 0.005 0.000 0.812 292 G HN 0.790 nan 8.290 nan 0.000 0.521 293 V N 0.661 120.579 119.914 0.007 0.000 2.999 293 V HA 0.596 4.716 4.120 -0.001 0.000 0.307 293 V C 0.725 176.824 176.094 0.007 0.000 1.084 293 V CA 0.407 62.710 62.300 0.006 0.000 1.155 293 V CB 1.189 33.016 31.823 0.007 0.000 0.975 293 V HN 1.728 nan 8.190 nan 0.000 0.490 294 S N 3.549 119.251 115.700 0.003 0.000 2.786 294 S HA 0.494 4.963 4.470 -0.001 0.000 0.307 294 S C 0.915 175.514 174.600 -0.003 0.000 1.121 294 S CA -0.468 57.734 58.200 0.003 0.000 0.975 294 S CB 1.428 64.628 63.200 0.001 0.000 1.220 294 S HN 1.013 nan 8.310 nan 0.000 0.550 295 R N -0.324 120.171 120.500 -0.007 0.000 2.285 295 R HA 0.087 4.426 4.340 -0.001 0.000 0.213 295 R C 1.144 177.431 176.300 -0.022 0.000 1.068 295 R CA 1.293 57.381 56.100 -0.021 0.000 1.004 295 R CB -0.418 29.863 30.300 -0.031 0.000 0.873 295 R HN 0.625 nan 8.270 nan 0.000 0.467 296 E N 1.148 121.339 120.200 -0.015 0.000 2.481 296 E HA -0.062 4.288 4.350 -0.001 0.000 0.195 296 E C 0.449 177.040 176.600 -0.015 0.000 1.047 296 E CA 0.671 57.062 56.400 -0.015 0.000 0.867 296 E CB 0.381 30.075 29.700 -0.011 0.000 0.858 296 E HN 0.452 nan 8.360 nan 0.000 0.513 297 E N -1.310 118.883 120.200 -0.013 0.000 2.539 297 E HA 0.222 4.571 4.350 -0.001 0.000 0.215 297 E C -0.981 175.612 176.600 -0.012 0.000 0.965 297 E CA -0.058 56.335 56.400 -0.011 0.000 1.019 297 E CB 1.855 31.551 29.700 -0.007 0.000 1.059 297 E HN -0.005 nan 8.360 nan 0.000 0.496 298 V N 1.512 121.418 119.914 -0.014 0.000 2.733 298 V HA 0.519 4.639 4.120 -0.001 0.000 0.306 298 V C -1.794 174.283 176.094 -0.027 0.000 1.084 298 V CA -0.523 61.769 62.300 -0.014 0.000 0.905 298 V CB 1.658 33.480 31.823 -0.002 0.000 1.010 298 V HN 0.237 nan 8.190 nan 0.000 0.424 299 E N 5.226 125.409 120.200 -0.028 0.000 2.430 299 E HA 0.447 4.797 4.350 -0.001 0.000 0.279 299 E C -0.961 175.621 176.600 -0.029 0.000 1.003 299 E CA -1.176 55.201 56.400 -0.039 0.000 0.801 299 E CB 1.721 31.401 29.700 -0.035 0.000 1.313 299 E HN 0.702 nan 8.360 nan 0.000 0.459 300 R N 0.041 120.520 120.500 -0.034 0.000 2.585 300 R HA 0.214 4.554 4.340 -0.001 0.000 0.275 300 R C 0.754 177.056 176.300 0.003 0.000 1.018 300 R CA 1.978 58.070 56.100 -0.013 0.000 1.072 300 R CB -0.196 30.098 30.300 -0.011 0.000 0.953 300 R HN 0.934 nan 8.270 nan 0.000 0.419 301 G N 2.190 111.001 108.800 0.017 0.000 2.232 301 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.226 301 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.226 301 G C -0.031 174.871 174.900 0.004 0.000 0.996 301 G CA 0.005 45.120 45.100 0.025 0.000 0.626 301 G HN 0.604 nan 8.290 nan 0.000 0.509 302 Q N -0.091 119.703 119.800 -0.009 0.000 2.199 302 Q HA 0.668 5.008 4.340 -0.001 0.000 0.232 302 Q C 0.257 176.241 176.000 -0.026 0.000 0.969 302 Q CA -0.235 55.553 55.803 -0.025 0.000 0.925 302 Q CB 2.507 31.230 28.738 -0.025 0.000 1.198 302 Q HN 0.858 nan 8.270 nan 0.000 0.494 303 V N -1.651 118.237 119.914 -0.044 0.000 2.864 303 V HA 0.624 4.743 4.120 -0.001 0.000 0.314 303 V C -0.889 175.170 176.094 -0.060 0.000 1.073 303 V CA -1.054 61.208 62.300 -0.063 0.000 0.956 303 V CB 1.427 33.194 31.823 -0.094 0.000 1.023 303 V HN 0.588 nan 8.190 nan 0.000 0.435 304 L N 3.273 124.450 121.223 -0.078 0.000 2.309 304 L HA 0.953 5.293 4.340 -0.001 0.000 0.282 304 L C 0.245 177.019 176.870 -0.161 0.000 1.036 304 L CA -0.322 54.512 54.840 -0.010 0.000 0.806 304 L CB 1.473 43.619 42.059 0.144 0.000 1.220 304 L HN 1.102 nan 8.230 nan 0.000 0.429 305 A N 2.380 125.191 122.820 -0.015 0.000 2.606 305 A HA 0.541 4.861 4.320 -0.001 0.000 0.293 305 A C -1.111 176.571 177.584 0.163 0.000 1.082 305 A CA -0.845 51.161 52.037 -0.051 0.000 0.685 305 A CB 1.589 20.532 19.000 -0.095 0.000 1.284 305 A HN 0.616 nan 8.150 nan 0.000 0.408 306 K N 1.301 121.825 120.400 0.206 0.000 2.491 306 K HA 0.271 4.591 4.320 -0.001 0.000 0.279 306 K C -2.584 174.067 176.600 0.086 0.000 1.026 306 K CA -0.528 55.863 56.287 0.174 0.000 1.070 306 K CB -0.099 32.488 32.500 0.145 0.000 0.887 306 K HN 0.322 nan 8.250 nan 0.000 0.481 307 P HA 0.016 nan 4.420 nan 0.000 0.262 307 P C 0.359 177.675 177.300 0.025 0.000 1.182 307 P CA 1.163 64.285 63.100 0.037 0.000 0.761 307 P CB 0.669 32.386 31.700 0.030 0.000 0.795 308 G N 2.541 111.348 108.800 0.013 0.000 2.179 308 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.260 308 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.260 308 G C 1.170 176.077 174.900 0.011 0.000 0.977 308 G CA 0.641 45.746 45.100 0.009 0.000 0.641 308 G HN 0.606 nan 8.290 nan 0.000 0.533 309 S N -1.031 114.677 115.700 0.013 0.000 2.478 309 S HA 0.569 5.039 4.470 -0.001 0.000 0.222 309 S C 0.809 175.409 174.600 0.001 0.000 1.008 309 S CA 0.902 59.108 58.200 0.011 0.000 0.928 309 S CB 0.566 63.777 63.200 0.017 0.000 0.781 309 S HN 1.271 nan 8.310 nan 0.000 0.518 310 I N 1.562 122.126 120.570 -0.010 0.000 2.752 310 I HA 0.463 4.632 4.170 -0.001 0.000 0.295 310 I C -1.366 174.732 176.117 -0.032 0.000 1.219 310 I CA -0.442 60.849 61.300 -0.015 0.000 1.030 310 I CB 2.201 40.178 38.000 -0.040 0.000 1.259 310 I HN 0.280 nan 8.210 nan 0.000 0.423 311 T N 3.507 118.044 114.554 -0.028 0.000 2.924 311 T HA 0.674 5.024 4.350 -0.001 0.000 0.291 311 T C -2.934 171.550 174.700 -0.359 0.000 1.045 311 T CA -2.013 59.995 62.100 -0.154 0.000 1.015 311 T CB 1.760 70.554 68.868 -0.123 0.000 1.103 311 T HN 0.335 nan 8.240 nan 0.000 0.496 312 P HA 0.407 nan 4.420 nan 0.000 0.285 312 P C -1.098 175.742 177.300 -0.767 0.000 1.259 312 P CA -0.221 62.613 63.100 -0.443 0.000 0.794 312 P CB 0.582 32.124 31.700 -0.264 0.000 0.940 313 H N 0.989 119.981 119.070 -0.130 0.000 2.980 313 H HA 0.321 4.877 4.556 -0.001 0.000 0.367 313 H C 0.674 175.939 175.328 -0.105 0.000 1.206 313 H CA -0.384 55.602 56.048 -0.103 0.000 1.126 313 H CB 2.142 31.843 29.762 -0.103 0.000 1.838 313 H HN 0.376 nan 8.280 nan 0.000 0.552 314 T N -2.349 112.256 114.554 0.084 0.000 2.958 314 T HA 0.206 4.556 4.350 -0.001 0.000 0.256 314 T C 0.515 175.263 174.700 0.080 0.000 0.983 314 T CA -0.122 62.001 62.100 0.039 0.000 0.924 314 T CB 1.150 70.019 68.868 0.003 0.000 1.136 314 T HN 0.280 nan 8.240 nan 0.000 0.506 315 K N 0.866 121.331 120.400 0.108 0.000 2.426 315 K HA 0.623 4.943 4.320 -0.001 0.000 0.254 315 K C -1.684 174.992 176.600 0.127 0.000 0.936 315 K CA -1.147 55.167 56.287 0.046 0.000 0.801 315 K CB 1.510 34.008 32.500 -0.003 0.000 1.139 315 K HN 0.360 nan 8.250 nan 0.000 0.424 316 F N -0.176 119.722 119.950 -0.087 0.000 2.686 316 F HA 0.505 5.032 4.527 -0.000 0.000 0.311 316 F C -1.090 174.698 175.800 -0.020 0.000 1.128 316 F CA -1.093 56.861 58.000 -0.078 0.000 0.946 316 F CB 1.164 40.093 39.000 -0.117 0.000 1.336 316 F HN 0.321 nan 8.300 nan 0.000 0.457 317 E N 1.016 121.294 120.200 0.130 0.000 2.202 317 E HA 0.779 5.128 4.350 -0.001 0.000 0.272 317 E C -1.113 175.628 176.600 0.235 0.000 0.951 317 E CA -1.373 55.068 56.400 0.067 0.000 0.813 317 E CB 2.174 31.910 29.700 0.060 0.000 1.151 317 E HN 0.913 nan 8.360 nan 0.000 0.398 318 A N 1.358 124.251 122.820 0.122 0.000 2.572 318 A HA 0.560 4.879 4.320 -0.001 0.000 0.295 318 A C -1.027 176.547 177.584 -0.018 0.000 1.072 318 A CA -0.712 51.449 52.037 0.208 0.000 0.691 318 A CB 1.941 21.276 19.000 0.559 0.000 1.291 318 A HN 0.425 nan 8.150 nan 0.000 0.404 319 S N 0.172 115.891 115.700 0.031 0.000 2.457 319 S HA 0.613 5.082 4.470 -0.001 0.000 0.289 319 S C -0.551 174.014 174.600 -0.058 0.000 1.163 319 S CA -0.384 57.800 58.200 -0.028 0.000 1.078 319 S CB 0.972 64.179 63.200 0.011 0.000 0.987 319 S HN 0.711 nan 8.310 nan 0.000 0.482 320 V N 4.029 123.895 119.914 -0.081 0.000 2.709 320 V HA 0.377 4.497 4.120 -0.001 0.000 0.308 320 V C -1.194 174.954 176.094 0.092 0.000 1.062 320 V CA -0.899 61.388 62.300 -0.022 0.000 0.901 320 V CB 1.728 33.540 31.823 -0.019 0.000 1.003 320 V HN 0.835 nan 8.190 nan 0.000 0.425 321 Y N 4.306 124.616 120.300 0.016 0.000 2.326 321 Y HA 0.632 5.181 4.550 -0.001 0.000 0.337 321 Y C -0.259 175.700 175.900 0.098 0.000 1.023 321 Y CA -0.719 57.410 58.100 0.047 0.000 1.143 321 Y CB 1.547 40.031 38.460 0.040 0.000 1.183 321 Y HN 0.398 nan 8.280 nan 0.000 0.485 322 V N 8.296 127.822 119.914 -0.648 0.000 2.385 322 V HA 0.166 4.285 4.120 -0.001 0.000 0.269 322 V C -0.129 175.550 176.094 -0.692 0.000 1.043 322 V CA -0.723 61.330 62.300 -0.411 0.000 0.906 322 V CB 0.432 32.103 31.823 -0.254 0.000 0.995 322 V HN 0.594 nan 8.190 nan 0.000 0.467 323 L N 5.834 126.878 121.223 -0.298 0.000 2.426 323 L HA 0.279 4.619 4.340 -0.001 0.000 0.271 323 L C 0.698 177.556 176.870 -0.021 0.000 1.169 323 L CA 0.629 55.417 54.840 -0.088 0.000 0.836 323 L CB 0.159 42.274 42.059 0.094 0.000 1.112 323 L HN 0.551 nan 8.230 nan 0.000 0.465 324 K N 1.531 121.972 120.400 0.070 0.000 2.090 324 K HA 0.135 4.454 4.320 -0.001 0.000 0.250 324 K C 0.801 177.462 176.600 0.102 0.000 1.004 324 K CA -0.728 55.606 56.287 0.078 0.000 0.919 324 K CB 0.861 33.423 32.500 0.104 0.000 1.045 324 K HN 0.272 nan 8.250 nan 0.000 0.471 325 K N 2.046 122.517 120.400 0.117 0.000 2.044 325 K HA -0.231 4.089 4.320 -0.001 0.000 0.210 325 K C 1.559 178.210 176.600 0.086 0.000 1.049 325 K CA 2.228 58.594 56.287 0.131 0.000 0.927 325 K CB -0.106 32.490 32.500 0.161 0.000 0.713 325 K HN 0.689 nan 8.250 nan 0.000 0.443 326 E N -0.223 120.021 120.200 0.073 0.000 2.463 326 E HA -0.169 4.180 4.350 -0.001 0.000 0.201 326 E C 0.681 177.325 176.600 0.074 0.000 1.045 326 E CA 1.241 57.674 56.400 0.055 0.000 0.872 326 E CB -0.056 29.671 29.700 0.045 0.000 0.797 326 E HN 0.502 nan 8.360 nan 0.000 0.538 327 E N -0.200 120.066 120.200 0.109 0.000 2.498 327 E HA 0.191 4.541 4.350 -0.001 0.000 0.203 327 E C 0.826 177.476 176.600 0.084 0.000 1.013 327 E CA 0.185 56.663 56.400 0.130 0.000 0.927 327 E CB 1.116 30.957 29.700 0.235 0.000 1.012 327 E HN 0.436 nan 8.360 nan 0.000 0.482 328 G N 0.944 109.785 108.800 0.068 0.000 2.184 328 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.206 328 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.206 328 G C 0.542 175.474 174.900 0.054 0.000 0.995 328 G CA -0.339 44.789 45.100 0.047 0.000 0.651 328 G HN 0.458 nan 8.290 nan 0.000 0.511 329 G N -0.507 108.337 108.800 0.073 0.000 2.882 329 G HA2 0.709 4.669 3.960 -0.001 0.000 0.164 329 G HA3 0.709 4.669 3.960 -0.001 0.000 0.164 329 G C 0.113 175.057 174.900 0.074 0.000 1.429 329 G CA -0.454 44.685 45.100 0.066 0.000 1.059 329 G HN 0.473 nan 8.290 nan 0.000 0.581 330 R N -1.380 119.150 120.500 0.051 0.000 2.912 330 R HA 0.344 4.683 4.340 -0.001 0.000 0.262 330 R C 1.043 177.361 176.300 0.030 0.000 1.057 330 R CA -0.799 55.302 56.100 0.001 0.000 0.981 330 R CB 1.407 31.619 30.300 -0.145 0.000 1.201 330 R HN 0.686 nan 8.270 nan 0.000 0.484 331 H N -1.063 118.014 119.070 0.011 0.000 2.482 331 H HA 0.018 4.573 4.556 -0.001 0.000 0.286 331 H C 0.589 175.906 175.328 -0.018 0.000 1.017 331 H CA 0.535 56.581 56.048 -0.002 0.000 1.322 331 H CB -0.254 29.511 29.762 0.003 0.000 1.426 331 H HN 0.500 nan 8.280 nan 0.000 0.546 332 T N -0.737 113.699 114.554 -0.197 0.000 2.922 332 T HA 0.585 4.935 4.350 -0.001 0.000 0.285 332 T C 0.914 175.527 174.700 -0.144 0.000 1.005 332 T CA -0.347 61.672 62.100 -0.134 0.000 1.061 332 T CB 2.424 71.214 68.868 -0.131 0.000 1.007 332 T HN 0.332 nan 8.240 nan 0.000 0.502 333 G N 0.587 109.265 108.800 -0.203 0.000 2.543 333 G HA2 0.699 4.659 3.960 -0.001 0.000 0.267 333 G HA3 0.699 4.659 3.960 -0.001 0.000 0.267 333 G C -0.886 173.797 174.900 -0.361 0.000 1.406 333 G CA -1.182 43.711 45.100 -0.346 0.000 1.048 333 G HN 0.906 nan 8.290 nan 0.000 0.548 334 F N -3.023 116.568 119.950 -0.599 0.000 2.664 334 F HA 0.832 5.359 4.527 -0.001 0.000 0.317 334 F C -1.449 173.933 175.800 -0.697 0.000 1.108 334 F CA -1.988 55.605 58.000 -0.679 0.000 0.957 334 F CB 1.267 39.570 39.000 -1.161 0.000 1.365 334 F HN 0.313 nan 8.300 nan 0.000 0.475 335 F N -0.392 119.550 119.950 -0.012 0.000 2.613 335 F HA 0.659 5.185 4.527 -0.001 0.000 0.342 335 F C 0.413 176.251 175.800 0.063 0.000 1.066 335 F CA -1.416 56.576 58.000 -0.013 0.000 1.002 335 F CB 1.306 40.297 39.000 -0.016 0.000 1.319 335 F HN 0.486 nan 8.300 nan 0.000 0.495 336 S N 0.194 116.038 115.700 0.240 0.000 2.560 336 S HA 0.382 4.851 4.470 -0.001 0.000 0.284 336 S C 0.930 175.627 174.600 0.163 0.000 1.327 336 S CA 0.767 59.055 58.200 0.147 0.000 1.055 336 S CB 0.294 63.555 63.200 0.101 0.000 0.868 336 S HN 1.138 nan 8.310 nan 0.000 0.506 337 G N 1.375 110.254 108.800 0.131 0.000 2.232 337 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.226 337 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.226 337 G C -0.018 174.976 174.900 0.156 0.000 0.996 337 G CA -0.098 45.070 45.100 0.113 0.000 0.626 337 G HN 0.713 nan 8.290 nan 0.000 0.509 338 Y N 2.117 122.440 120.300 0.038 0.000 2.712 338 Y HA 0.435 4.984 4.550 -0.001 0.000 0.333 338 Y C 1.059 176.936 175.900 -0.038 0.000 1.225 338 Y CA 0.240 58.327 58.100 -0.021 0.000 1.499 338 Y CB 0.415 38.811 38.460 -0.106 0.000 1.288 338 Y HN 0.255 nan 8.280 nan 0.000 0.575 339 R N 8.127 128.444 120.500 -0.305 0.000 2.868 339 R HA 0.330 4.670 4.340 -0.001 0.000 0.289 339 R C -2.749 173.309 176.300 -0.404 0.000 1.443 339 R CA -1.706 54.250 56.100 -0.241 0.000 1.651 339 R CB 0.208 30.445 30.300 -0.106 0.000 1.242 339 R HN 0.485 nan 8.270 nan 0.000 0.621 340 P HA 0.193 nan 4.420 nan 0.000 0.297 340 P C -0.986 176.125 177.300 -0.315 0.000 1.307 340 P CA -0.515 62.233 63.100 -0.586 0.000 0.773 340 P CB 0.993 32.169 31.700 -0.873 0.000 1.265 341 Q N -0.287 119.332 119.800 -0.302 0.000 2.241 341 Q HA 0.448 4.788 4.340 -0.001 0.000 0.254 341 Q C -0.794 174.950 176.000 -0.427 0.000 0.917 341 Q CA -0.146 55.512 55.803 -0.243 0.000 0.919 341 Q CB 0.655 29.282 28.738 -0.185 0.000 1.237 341 Q HN 0.368 nan 8.270 nan 0.000 0.434 342 F N 1.718 121.482 119.950 -0.309 0.000 2.469 342 F HA 0.376 4.902 4.527 -0.001 0.000 0.332 342 F C -0.557 174.874 175.800 -0.615 0.000 1.103 342 F CA -0.728 57.087 58.000 -0.309 0.000 0.979 342 F CB 1.103 39.969 39.000 -0.223 0.000 1.137 342 F HN 0.326 nan 8.300 nan 0.000 0.463 343 Y N 3.047 123.222 120.300 -0.210 0.000 2.326 343 Y HA 0.529 5.079 4.550 -0.001 0.000 0.331 343 Y C -1.120 174.631 175.900 -0.248 0.000 0.962 343 Y CA -1.253 56.770 58.100 -0.127 0.000 1.167 343 Y CB 0.984 39.423 38.460 -0.035 0.000 1.148 343 Y HN 0.337 nan 8.280 nan 0.000 0.463 344 F N 3.041 123.110 119.950 0.197 0.000 2.460 344 F HA 0.616 5.143 4.527 -0.001 0.000 0.341 344 F C 0.691 176.551 175.800 0.100 0.000 1.130 344 F CA -1.320 56.761 58.000 0.135 0.000 0.962 344 F CB 1.420 40.421 39.000 0.002 0.000 1.171 344 F HN 0.528 nan 8.300 nan 0.000 0.436 345 R N -0.033 120.613 120.500 0.245 0.000 3.883 345 R HA -0.261 4.078 4.340 -0.001 0.000 0.407 345 R C 1.267 177.657 176.300 0.151 0.000 0.242 345 R CA 2.125 58.319 56.100 0.156 0.000 1.306 345 R CB -1.583 28.786 30.300 0.114 0.000 0.973 345 R HN 0.753 nan 8.270 nan 0.000 0.574 346 T N -1.240 113.387 114.554 0.123 0.000 3.163 346 T HA 0.196 4.545 4.350 -0.001 0.000 0.252 346 T C 0.290 175.066 174.700 0.126 0.000 1.056 346 T CA 0.193 62.363 62.100 0.115 0.000 0.947 346 T CB 0.179 69.092 68.868 0.074 0.000 1.016 346 T HN 0.369 nan 8.240 nan 0.000 0.554 347 T N 2.992 117.638 114.554 0.154 0.000 2.882 347 T HA 0.461 4.811 4.350 -0.001 0.000 0.287 347 T C -0.893 173.867 174.700 0.100 0.000 0.992 347 T CA -0.537 61.643 62.100 0.133 0.000 1.076 347 T CB 1.387 70.359 68.868 0.173 0.000 0.961 347 T HN 0.259 nan 8.240 nan 0.000 0.490 348 D N 1.902 122.296 120.400 -0.010 0.000 2.505 348 D HA 0.444 5.084 4.640 -0.001 0.000 0.250 348 D C -1.413 174.793 176.300 -0.156 0.000 1.164 348 D CA -0.506 53.332 54.000 -0.269 0.000 0.870 348 D CB 1.269 41.988 40.800 -0.135 0.000 1.160 348 D HN 0.331 nan 8.370 nan 0.000 0.549 349 V N 3.381 123.217 119.914 -0.131 0.000 2.760 349 V HA 0.536 4.655 4.120 -0.001 0.000 0.309 349 V C -0.364 175.771 176.094 0.069 0.000 1.077 349 V CA -0.411 61.892 62.300 0.005 0.000 0.910 349 V CB 2.140 34.015 31.823 0.085 0.000 1.008 349 V HN 0.609 nan 8.190 nan 0.000 0.424 350 T N 5.257 119.839 114.554 0.047 0.000 2.919 350 T HA 0.624 4.974 4.350 -0.001 0.000 0.302 350 T C 0.232 175.019 174.700 0.146 0.000 1.031 350 T CA 0.525 62.677 62.100 0.087 0.000 1.127 350 T CB 1.026 69.905 68.868 0.018 0.000 0.952 350 T HN 1.215 nan 8.240 nan 0.000 0.540 351 G N 0.488 109.445 108.800 0.263 0.000 2.660 351 G HA2 0.595 4.554 3.960 -0.001 0.000 0.294 351 G HA3 0.595 4.554 3.960 -0.001 0.000 0.294 351 G C -1.548 173.445 174.900 0.156 0.000 1.369 351 G CA -0.616 44.545 45.100 0.102 0.000 0.912 351 G HN 0.675 nan 8.290 nan 0.000 0.479 352 V N 0.730 120.660 119.914 0.026 0.000 2.417 352 V HA 0.446 4.565 4.120 -0.001 0.000 0.291 352 V C 0.162 176.279 176.094 0.038 0.000 1.024 352 V CA -0.747 61.577 62.300 0.039 0.000 0.861 352 V CB 1.481 33.310 31.823 0.009 0.000 0.985 352 V HN 0.576 nan 8.190 nan 0.000 0.436 353 V N 4.274 124.240 119.914 0.085 0.000 2.583 353 V HA 0.388 4.507 4.120 -0.001 0.000 0.287 353 V C -0.024 176.090 176.094 0.034 0.000 1.051 353 V CA -0.224 62.106 62.300 0.049 0.000 1.010 353 V CB 1.480 33.285 31.823 -0.030 0.000 0.988 353 V HN 0.954 nan 8.190 nan 0.000 0.478 354 Q N 4.403 124.229 119.800 0.043 0.000 2.303 354 Q HA 0.501 4.840 4.340 -0.001 0.000 0.267 354 Q C -1.189 174.866 176.000 0.091 0.000 1.011 354 Q CA -0.236 55.600 55.803 0.055 0.000 0.740 354 Q CB 1.316 30.079 28.738 0.042 0.000 1.250 354 Q HN 0.700 nan 8.270 nan 0.000 0.458 355 L N 5.026 126.287 121.223 0.063 0.000 2.453 355 L HA 0.508 4.848 4.340 -0.001 0.000 0.261 355 L C -1.774 175.150 176.870 0.090 0.000 1.179 355 L CA -2.026 52.867 54.840 0.088 0.000 0.813 355 L CB 0.341 42.412 42.059 0.020 0.000 1.110 355 L HN 0.566 nan 8.230 nan 0.000 0.466 356 P HA 0.116 nan 4.420 nan 0.000 0.270 356 P C -2.492 174.836 177.300 0.047 0.000 1.223 356 P CA -0.940 62.202 63.100 0.070 0.000 0.785 356 P CB -0.216 31.526 31.700 0.069 0.000 0.923 357 P HA 0.072 nan 4.420 nan 0.000 0.264 357 P C 0.962 178.277 177.300 0.024 0.000 1.193 357 P CA 1.345 64.462 63.100 0.029 0.000 0.763 357 P CB -0.013 31.702 31.700 0.024 0.000 0.810 358 G N 1.491 110.305 108.800 0.022 0.000 2.217 358 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.246 358 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.246 358 G C -0.005 174.902 174.900 0.011 0.000 0.990 358 G CA -0.152 44.957 45.100 0.016 0.000 0.627 358 G HN 0.527 nan 8.290 nan 0.000 0.522 359 V N 1.736 121.657 119.914 0.012 0.000 2.348 359 V HA 0.416 4.536 4.120 -0.001 0.000 0.270 359 V C 1.350 177.438 176.094 -0.010 0.000 1.037 359 V CA 0.554 62.849 62.300 -0.007 0.000 0.872 359 V CB 1.422 33.241 31.823 -0.006 0.000 1.002 359 V HN 0.489 nan 8.190 nan 0.000 0.464 360 E N 5.110 125.300 120.200 -0.016 0.000 2.107 360 E HA -0.033 4.317 4.350 -0.001 0.000 0.191 360 E C 0.630 177.193 176.600 -0.061 0.000 0.982 360 E CA 1.019 57.435 56.400 0.026 0.000 0.809 360 E CB 0.301 30.031 29.700 0.050 0.000 0.756 360 E HN 0.799 nan 8.360 nan 0.000 0.459 361 M N -1.343 118.105 119.600 -0.253 0.000 2.732 361 M HA 0.359 4.839 4.480 -0.001 0.000 0.272 361 M C -1.469 174.543 176.300 -0.480 0.000 1.203 361 M CA -1.106 53.850 55.300 -0.573 0.000 0.841 361 M CB 2.155 34.079 32.600 -1.126 0.000 1.685 361 M HN -0.217 nan 8.290 nan 0.000 0.492 362 V N -0.135 119.383 119.914 -0.660 0.000 2.581 362 V HA 0.759 4.879 4.120 -0.001 0.000 0.303 362 V C -0.618 175.119 176.094 -0.595 0.000 1.041 362 V CA -0.643 61.322 62.300 -0.557 0.000 0.907 362 V CB 1.780 33.263 31.823 -0.567 0.000 0.994 362 V HN 0.943 nan 8.190 nan 0.000 0.442 363 M N 3.565 122.939 119.600 -0.377 0.000 2.578 363 M HA 0.606 5.085 4.480 -0.001 0.000 0.321 363 M C -2.753 173.402 176.300 -0.242 0.000 1.182 363 M CA -2.558 52.564 55.300 -0.296 0.000 0.965 363 M CB 1.163 33.643 32.600 -0.200 0.000 1.694 363 M HN 0.401 nan 8.290 nan 0.000 0.461 364 P HA 0.218 nan 4.420 nan 0.000 0.265 364 P C 0.803 178.020 177.300 -0.139 0.000 1.193 364 P CA 1.106 64.100 63.100 -0.176 0.000 0.765 364 P CB 0.495 32.142 31.700 -0.088 0.000 0.823 365 G N 1.303 109.985 108.800 -0.196 0.000 2.213 365 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.236 365 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.236 365 G C 0.124 175.076 174.900 0.086 0.000 0.991 365 G CA 0.021 45.137 45.100 0.027 0.000 0.629 365 G HN 0.612 nan 8.290 nan 0.000 0.517 366 D N 0.607 120.968 120.400 -0.065 0.000 2.268 366 D HA 0.523 5.163 4.640 -0.001 0.000 0.249 366 D C -0.320 176.009 176.300 0.048 0.000 1.008 366 D CA -0.651 53.352 54.000 0.005 0.000 0.939 366 D CB 0.510 41.278 40.800 -0.054 0.000 1.170 366 D HN 0.066 nan 8.370 nan 0.000 0.468 367 N N 1.604 120.371 118.700 0.113 0.000 2.469 367 N HA 0.301 5.041 4.740 -0.001 0.000 0.253 367 N C -0.501 175.046 175.510 0.061 0.000 0.970 367 N CA -0.323 52.807 53.050 0.133 0.000 0.940 367 N CB 1.552 40.120 38.487 0.135 0.000 1.128 367 N HN 0.300 nan 8.380 nan 0.000 0.503 368 V N -0.478 119.467 119.914 0.053 0.000 3.181 368 V HA 0.757 4.877 4.120 -0.001 0.000 0.314 368 V C 0.140 176.251 176.094 0.029 0.000 1.173 368 V CA -0.614 61.719 62.300 0.055 0.000 1.052 368 V CB 1.805 33.683 31.823 0.091 0.000 1.123 368 V HN 0.447 nan 8.190 nan 0.000 0.454 369 T N 1.109 115.697 114.554 0.058 0.000 2.893 369 T HA 0.868 5.217 4.350 -0.001 0.000 0.293 369 T C -1.261 173.524 174.700 0.142 0.000 1.027 369 T CA -0.263 61.835 62.100 -0.003 0.000 0.988 369 T CB 1.124 70.007 68.868 0.024 0.000 1.043 369 T HN 1.519 nan 8.240 nan 0.000 0.461 370 F N -0.394 119.621 119.950 0.108 0.000 2.817 370 F HA 0.726 5.253 4.527 -0.000 0.000 0.317 370 F C -0.886 174.933 175.800 0.032 0.000 1.168 370 F CA -1.115 56.934 58.000 0.082 0.000 0.911 370 F CB 0.696 39.771 39.000 0.126 0.000 1.337 370 F HN 0.411 nan 8.300 nan 0.000 0.464 371 T N 1.429 116.181 114.554 0.329 0.000 2.925 371 T HA 0.757 5.107 4.350 -0.001 0.000 0.285 371 T C -1.085 173.610 174.700 -0.008 0.000 1.021 371 T CA -0.608 61.520 62.100 0.047 0.000 1.042 371 T CB 1.900 70.772 68.868 0.006 0.000 1.037 371 T HN 0.603 nan 8.240 nan 0.000 0.481 372 V N 1.904 121.552 119.914 -0.443 0.000 2.760 372 V HA 0.501 4.621 4.120 -0.001 0.000 0.309 372 V C -0.519 175.274 176.094 -0.501 0.000 1.077 372 V CA -0.879 61.087 62.300 -0.556 0.000 0.910 372 V CB 2.079 33.226 31.823 -1.127 0.000 1.008 372 V HN 0.909 nan 8.190 nan 0.000 0.424 373 E N 3.755 123.793 120.200 -0.270 0.000 2.185 373 E HA 0.595 4.945 4.350 -0.001 0.000 0.261 373 E C -1.334 175.191 176.600 -0.125 0.000 0.879 373 E CA -0.566 55.742 56.400 -0.153 0.000 0.756 373 E CB 1.340 30.992 29.700 -0.081 0.000 1.152 373 E HN 0.614 nan 8.360 nan 0.000 0.416 374 L N 5.482 126.656 121.223 -0.082 0.000 2.418 374 L HA 0.298 4.638 4.340 -0.001 0.000 0.265 374 L C 1.665 178.519 176.870 -0.027 0.000 1.143 374 L CA -0.316 54.495 54.840 -0.049 0.000 0.809 374 L CB 0.917 42.965 42.059 -0.018 0.000 1.124 374 L HN 0.739 nan 8.230 nan 0.000 0.456 375 I N -2.114 118.449 120.570 -0.012 0.000 3.251 375 I HA 0.090 4.260 4.170 -0.001 0.000 0.277 375 I C 0.334 176.441 176.117 -0.017 0.000 1.268 375 I CA 0.915 62.208 61.300 -0.013 0.000 1.449 375 I CB -0.152 37.844 38.000 -0.007 0.000 1.083 375 I HN 0.405 nan 8.210 nan 0.000 0.464 376 K N 1.156 121.544 120.400 -0.021 0.000 2.508 376 K HA 0.555 4.875 4.320 -0.001 0.000 0.260 376 K C -2.810 173.759 176.600 -0.050 0.000 0.949 376 K CA -1.983 54.284 56.287 -0.032 0.000 0.834 376 K CB 1.849 34.332 32.500 -0.028 0.000 1.365 376 K HN -0.261 nan 8.250 nan 0.000 0.437 377 P HA 0.233 nan 4.420 nan 0.000 0.271 377 P C -0.770 176.454 177.300 -0.126 0.000 1.218 377 P CA -0.434 62.607 63.100 -0.098 0.000 0.780 377 P CB 0.647 32.284 31.700 -0.106 0.000 0.901 378 V N 1.204 121.005 119.914 -0.187 0.000 2.925 378 V HA 0.582 4.702 4.120 -0.001 0.000 0.311 378 V C -0.159 175.779 176.094 -0.261 0.000 1.104 378 V CA -1.190 60.964 62.300 -0.244 0.000 0.954 378 V CB 2.088 33.660 31.823 -0.417 0.000 1.022 378 V HN 0.603 nan 8.190 nan 0.000 0.427 379 A N 5.118 127.810 122.820 -0.214 0.000 2.444 379 A HA 0.640 4.959 4.320 -0.001 0.000 0.287 379 A C -0.519 176.933 177.584 -0.220 0.000 1.195 379 A CA 0.297 52.229 52.037 -0.174 0.000 0.858 379 A CB -0.563 18.363 19.000 -0.125 0.000 1.117 379 A HN 0.704 nan 8.150 nan 0.000 0.521 380 L N 2.573 123.698 121.223 -0.163 0.000 2.341 380 L HA 0.738 5.078 4.340 -0.001 0.000 0.267 380 L C 0.057 176.874 176.870 -0.088 0.000 1.009 380 L CA -0.631 54.068 54.840 -0.235 0.000 0.819 380 L CB 2.208 44.032 42.059 -0.391 0.000 1.323 380 L HN 0.932 nan 8.230 nan 0.000 0.425 381 E N 0.283 120.412 120.200 -0.117 0.000 2.390 381 E HA 0.328 4.678 4.350 -0.001 0.000 0.280 381 E C -1.549 175.019 176.600 -0.052 0.000 0.992 381 E CA -0.979 55.382 56.400 -0.066 0.000 0.790 381 E CB 1.603 31.284 29.700 -0.031 0.000 1.248 381 E HN 0.460 nan 8.360 nan 0.000 0.447 382 E N 0.112 120.292 120.200 -0.033 0.000 2.452 382 E HA 0.243 4.592 4.350 -0.001 0.000 0.261 382 E C 0.693 177.305 176.600 0.020 0.000 0.987 382 E CA 1.421 57.821 56.400 0.000 0.000 0.926 382 E CB 0.497 30.198 29.700 0.001 0.000 0.934 382 E HN 0.880 nan 8.360 nan 0.000 0.452 383 G N 2.328 111.156 108.800 0.047 0.000 2.195 383 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.246 383 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.246 383 G C -0.009 174.936 174.900 0.074 0.000 0.984 383 G CA 0.052 45.184 45.100 0.052 0.000 0.633 383 G HN 0.430 nan 8.290 nan 0.000 0.525 384 L N 2.567 123.846 121.223 0.093 0.000 2.418 384 L HA 0.608 4.948 4.340 -0.001 0.000 0.274 384 L C 0.903 177.928 176.870 0.258 0.000 1.135 384 L CA -0.391 54.535 54.840 0.144 0.000 0.870 384 L CB 0.199 42.327 42.059 0.115 0.000 1.154 384 L HN 0.300 nan 8.230 nan 0.000 0.462 385 R N 5.148 125.770 120.500 0.203 0.000 2.528 385 R HA 0.686 5.026 4.340 -0.001 0.000 0.271 385 R C -0.892 175.575 176.300 0.278 0.000 1.056 385 R CA -0.270 55.923 56.100 0.155 0.000 1.117 385 R CB 0.964 31.292 30.300 0.046 0.000 1.085 385 R HN 0.703 nan 8.270 nan 0.000 0.530 386 F N -1.877 118.101 119.950 0.047 0.000 2.831 386 F HA 0.791 5.318 4.527 -0.001 0.000 0.318 386 F C -1.730 174.059 175.800 -0.019 0.000 1.174 386 F CA -1.371 56.596 58.000 -0.055 0.000 0.918 386 F CB 1.050 39.847 39.000 -0.338 0.000 1.364 386 F HN 0.559 nan 8.300 nan 0.000 0.475 387 A N 0.851 123.786 122.820 0.191 0.000 2.469 387 A HA 0.891 5.211 4.320 -0.001 0.000 0.299 387 A C -1.567 176.153 177.584 0.227 0.000 1.098 387 A CA -0.941 51.158 52.037 0.104 0.000 0.737 387 A CB 1.518 20.530 19.000 0.020 0.000 1.312 387 A HN 0.775 nan 8.150 nan 0.000 0.414 388 I N 1.370 121.992 120.570 0.086 0.000 2.436 388 I HA 0.491 4.661 4.170 -0.001 0.000 0.289 388 I C -0.290 175.803 176.117 -0.040 0.000 1.010 388 I CA -0.663 60.578 61.300 -0.098 0.000 1.098 388 I CB 1.720 39.617 38.000 -0.171 0.000 1.266 388 I HN 0.546 nan 8.210 nan 0.000 0.434 389 R N 4.703 125.201 120.500 -0.004 0.000 2.750 389 R HA 0.585 4.925 4.340 -0.001 0.000 0.281 389 R C -0.949 175.319 176.300 -0.054 0.000 0.972 389 R CA -0.781 55.328 56.100 0.016 0.000 0.912 389 R CB 2.908 33.262 30.300 0.090 0.000 1.187 389 R HN 0.580 nan 8.270 nan 0.000 0.464 390 E N 0.350 120.525 120.200 -0.042 0.000 2.307 390 E HA 0.235 4.584 4.350 -0.001 0.000 0.280 390 E C -0.079 176.514 176.600 -0.012 0.000 0.900 390 E CA 0.051 56.410 56.400 -0.068 0.000 0.790 390 E CB 1.537 31.173 29.700 -0.106 0.000 1.261 390 E HN 0.764 nan 8.360 nan 0.000 0.405 391 G N 2.874 111.667 108.800 -0.012 0.000 2.225 391 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.267 391 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.267 391 G C 0.916 175.819 174.900 0.005 0.000 1.024 391 G CA 0.912 46.014 45.100 0.003 0.000 0.784 391 G HN 1.557 nan 8.290 nan 0.000 0.507 392 G N -1.994 106.805 108.800 -0.001 0.000 2.143 392 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.249 392 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.249 392 G C 0.299 175.190 174.900 -0.015 0.000 0.981 392 G CA 0.834 45.928 45.100 -0.011 0.000 0.665 392 G HN 1.039 nan 8.290 nan 0.000 0.528 393 R N 0.119 120.616 120.500 -0.005 0.000 2.637 393 R HA 0.580 4.919 4.340 -0.001 0.000 0.291 393 R C -0.453 175.845 176.300 -0.004 0.000 0.963 393 R CA -0.569 55.533 56.100 0.002 0.000 0.901 393 R CB 1.095 31.409 30.300 0.023 0.000 1.160 393 R HN 0.107 nan 8.270 nan 0.000 0.457 394 T N 2.159 116.711 114.554 -0.004 0.000 2.738 394 T HA 0.095 4.445 4.350 -0.001 0.000 0.294 394 T C 1.585 176.305 174.700 0.032 0.000 0.914 394 T CA -0.295 61.803 62.100 -0.004 0.000 1.052 394 T CB 0.322 69.184 68.868 -0.009 0.000 0.897 394 T HN 0.484 nan 8.240 nan 0.000 0.522 395 V N 1.348 121.288 119.914 0.042 0.000 3.174 395 V HA 0.536 4.656 4.120 -0.001 0.000 0.254 395 V C 0.904 177.074 176.094 0.127 0.000 1.120 395 V CA 0.611 62.964 62.300 0.089 0.000 1.114 395 V CB -0.404 31.489 31.823 0.117 0.000 0.756 395 V HN 0.792 nan 8.190 nan 0.000 0.467 396 G N -0.908 107.956 108.800 0.106 0.000 2.698 396 G HA2 0.744 4.704 3.960 -0.001 0.000 0.293 396 G HA3 0.744 4.704 3.960 -0.001 0.000 0.293 396 G C -1.473 173.465 174.900 0.064 0.000 1.437 396 G CA -0.261 44.919 45.100 0.134 0.000 0.852 396 G HN 0.878 nan 8.290 nan 0.000 0.499 397 A N -0.158 122.686 122.820 0.041 0.000 2.353 397 A HA 0.969 5.288 4.320 -0.001 0.000 0.299 397 A C 0.200 177.642 177.584 -0.236 0.000 1.089 397 A CA 0.092 52.079 52.037 -0.083 0.000 0.736 397 A CB 1.556 20.576 19.000 0.034 0.000 1.195 397 A HN 1.908 nan 8.150 nan 0.000 0.447 398 G N -0.555 107.813 108.800 -0.719 0.000 2.866 398 G HA2 0.708 4.668 3.960 -0.001 0.000 0.289 398 G HA3 0.708 4.668 3.960 -0.001 0.000 0.289 398 G C -1.570 172.860 174.900 -0.783 0.000 1.396 398 G CA -0.415 44.188 45.100 -0.828 0.000 0.848 398 G HN 1.663 nan 8.290 nan 0.000 0.515 399 V N -0.257 119.519 119.914 -0.230 0.000 2.808 399 V HA 0.569 4.689 4.120 -0.001 0.000 0.308 399 V C -0.607 175.710 176.094 0.370 0.000 1.099 399 V CA -0.668 61.696 62.300 0.107 0.000 0.920 399 V CB 1.902 33.751 31.823 0.042 0.000 1.014 399 V HN 0.675 nan 8.190 nan 0.000 0.425 400 V N 6.212 126.379 119.914 0.422 0.000 2.521 400 V HA 0.225 4.345 4.120 -0.001 0.000 0.286 400 V C 1.490 177.692 176.094 0.180 0.000 1.034 400 V CA 1.060 63.541 62.300 0.301 0.000 1.045 400 V CB 0.989 32.839 31.823 0.045 0.000 0.974 400 V HN 1.110 nan 8.190 nan 0.000 0.480 401 T N 1.076 115.738 114.554 0.180 0.000 2.971 401 T HA 0.256 4.606 4.350 -0.001 0.000 0.252 401 T C 0.383 175.126 174.700 0.072 0.000 1.022 401 T CA -0.096 62.066 62.100 0.102 0.000 0.980 401 T CB 0.361 69.281 68.868 0.086 0.000 1.044 401 T HN 0.513 nan 8.240 nan 0.000 0.501 402 K N 0.758 121.213 120.400 0.090 0.000 2.557 402 K HA 0.438 4.758 4.320 -0.001 0.000 0.257 402 K C -1.840 174.784 176.600 0.039 0.000 0.933 402 K CA -0.865 55.448 56.287 0.043 0.000 0.820 402 K CB 1.874 34.396 32.500 0.036 0.000 1.330 402 K HN -0.024 nan 8.250 nan 0.000 0.432 403 I N 6.476 127.014 120.570 -0.053 0.000 2.325 403 I HA 0.131 4.301 4.170 -0.001 0.000 0.291 403 I C 1.103 177.158 176.117 -0.105 0.000 1.019 403 I CA -0.133 61.077 61.300 -0.149 0.000 1.302 403 I CB 1.027 38.779 38.000 -0.413 0.000 1.401 403 I HN 0.743 nan 8.210 nan 0.000 0.485 404 L N 4.764 125.958 121.223 -0.048 0.000 2.286 404 L HA 0.224 4.563 4.340 -0.001 0.000 0.203 404 L C 0.784 177.646 176.870 -0.013 0.000 1.068 404 L CA 0.581 55.407 54.840 -0.023 0.000 0.811 404 L CB 0.202 42.258 42.059 -0.005 0.000 0.989 404 L HN 0.600 nan 8.230 nan 0.000 0.467 405 E N 0.000 120.209 120.200 0.014 0.000 2.725 405 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 405 E CA 0.000 56.448 56.400 0.080 0.000 0.976 405 E CB 0.000 29.730 29.700 0.050 0.000 0.812 405 E HN 0.000 nan 8.360 nan 0.000 0.440