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 1esn_1_A DATA FIRST_RESID 6 DATA SEQUENCE QTLXTPYLQF DRNQWAALRD SVPXTLSEDE IARLKGINED LSLEEVAEIY DATA SEQUENCE LPLSRLLNFY ISSNLRRQAV LEQFLGTNGQ RIPYIISIAG SVAVGKSTTA DATA SEQUENCE RVLQALLSRW PEHRRVELIT TDGFLHPNQV LKERGLXKKK GFPESYDXHR DATA SEQUENCE LVKFVSDLKS GVPNVTAPVY SHLIYDVIPD GDKTVVQPDI LILEGLNVLQ DATA SEQUENCE SGXDYPHDPH HVFVSDFVDF SIYVDAPEDL LQTWYINRFL KFREGAFTDP DATA SEQUENCE DSYFHNYAKL TKEEAIKTAX TLWKEINWLN LKQNILPTRE RASLILTKSA DATA SEQUENCE NHAVEEVRLR K 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 175.995 176.000 -0.009 0.000 1.003 6 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 6 Q CB 0.000 28.732 28.738 -0.011 0.000 1.108 7 T N 1.365 115.914 114.554 -0.007 0.000 2.770 7 T HA 0.845 5.195 4.350 0.001 0.000 0.283 7 T C -0.475 174.222 174.700 -0.006 0.000 0.988 7 T CA -0.414 61.682 62.100 -0.007 0.000 0.957 7 T CB 0.748 69.612 68.868 -0.006 0.000 0.930 7 T HN 0.446 nan 8.240 nan 0.000 0.443 11 P HA 0.263 nan 4.420 nan 0.000 0.247 11 P C -0.806 176.332 177.300 -0.269 0.000 1.225 11 P CA 0.440 63.439 63.100 -0.169 0.000 0.768 11 P CB -0.482 31.051 31.700 -0.277 0.000 1.020 12 Y N -1.033 119.277 120.300 0.015 0.000 2.485 12 Y HA 0.393 4.944 4.550 0.001 0.000 0.345 12 Y C 0.555 176.488 175.900 0.055 0.000 0.998 12 Y CA -1.234 56.892 58.100 0.044 0.000 1.059 12 Y CB 1.534 40.012 38.460 0.031 0.000 1.234 12 Y HN -0.326 nan 8.280 nan 0.000 0.461 13 L N 2.731 124.138 121.223 0.306 0.000 2.326 13 L HA 0.371 4.711 4.340 0.001 0.000 0.278 13 L C -0.402 176.569 176.870 0.169 0.000 1.092 13 L CA -0.424 54.532 54.840 0.193 0.000 0.810 13 L CB 1.427 43.695 42.059 0.349 0.000 1.153 13 L HN 0.586 nan 8.230 nan 0.000 0.439 14 Q N 2.651 122.384 119.800 -0.110 0.000 2.316 14 Q HA 0.562 4.902 4.340 0.001 0.000 0.264 14 Q C -1.770 174.022 176.000 -0.346 0.000 0.987 14 Q CA -0.387 55.369 55.803 -0.077 0.000 0.852 14 Q CB 1.386 30.094 28.738 -0.050 0.000 1.287 14 Q HN 0.382 nan 8.270 nan 0.000 0.448 15 F N 2.182 122.197 119.950 0.108 0.000 2.557 15 F HA 0.282 4.810 4.527 0.001 0.000 0.316 15 F C -0.274 175.585 175.800 0.098 0.000 1.141 15 F CA -1.080 57.012 58.000 0.153 0.000 0.922 15 F CB 1.580 40.769 39.000 0.315 0.000 1.194 15 F HN 0.654 nan 8.300 nan 0.000 0.443 16 D N 1.231 121.778 120.400 0.245 0.000 2.423 16 D HA 0.307 4.948 4.640 0.001 0.000 0.255 16 D C 1.357 177.778 176.300 0.201 0.000 1.174 16 D CA -0.566 53.528 54.000 0.158 0.000 1.008 16 D CB 1.013 41.873 40.800 0.100 0.000 1.101 16 D HN 0.467 nan 8.370 nan 0.000 0.516 17 R N 0.091 120.672 120.500 0.135 0.000 2.136 17 R HA -0.249 4.092 4.340 0.001 0.000 0.242 17 R C 1.527 177.945 176.300 0.198 0.000 1.131 17 R CA 2.170 58.359 56.100 0.147 0.000 0.937 17 R CB -0.613 29.743 30.300 0.093 0.000 0.863 17 R HN 0.577 nan 8.270 nan 0.000 0.435 18 N N 0.937 119.727 118.700 0.151 0.000 2.021 18 N HA -0.243 4.497 4.740 0.001 0.000 0.198 18 N C 1.814 177.427 175.510 0.172 0.000 1.041 18 N CA 2.002 55.133 53.050 0.136 0.000 0.862 18 N CB -0.762 37.786 38.487 0.101 0.000 1.048 18 N HN 0.459 nan 8.380 nan 0.000 0.427 19 Q N -0.551 119.379 119.800 0.217 0.000 2.112 19 Q HA -0.185 4.155 4.340 0.001 0.000 0.206 19 Q C 2.006 178.196 176.000 0.318 0.000 0.987 19 Q CA 1.128 57.097 55.803 0.276 0.000 0.858 19 Q CB -0.286 28.665 28.738 0.355 0.000 0.905 19 Q HN 0.581 nan 8.270 nan 0.000 0.420 20 W N 1.037 122.425 121.300 0.146 0.000 2.378 20 W HA -0.039 4.621 4.660 0.001 0.000 0.313 20 W C 2.005 178.528 176.519 0.006 0.000 1.197 20 W CA 1.473 58.833 57.345 0.024 0.000 1.304 20 W CB -0.149 29.302 29.460 -0.015 0.000 1.148 20 W HN 0.136 nan 8.180 nan 0.000 0.494 21 A N 0.442 123.375 122.820 0.188 0.000 2.259 21 A HA 0.100 4.420 4.320 0.001 0.000 0.212 21 A C 1.870 179.455 177.584 0.002 0.000 1.178 21 A CA 1.718 53.799 52.037 0.073 0.000 0.734 21 A CB -0.838 18.233 19.000 0.117 0.000 0.774 21 A HN 0.289 nan 8.150 nan 0.000 0.481 22 A N -0.686 122.134 122.820 -0.000 0.000 1.956 22 A HA 0.391 4.712 4.320 0.001 0.000 0.212 22 A C 0.618 178.168 177.584 -0.057 0.000 1.188 22 A CA -0.099 51.936 52.037 -0.003 0.000 0.675 22 A CB -0.230 18.795 19.000 0.042 0.000 0.845 22 A HN 0.310 nan 8.150 nan 0.000 0.455 23 L N 2.318 123.460 121.223 -0.134 0.000 2.737 23 L HA -0.016 4.324 4.340 0.001 0.000 0.279 23 L C 0.333 177.117 176.870 -0.142 0.000 1.200 23 L CA 0.999 55.729 54.840 -0.183 0.000 0.952 23 L CB -1.031 40.779 42.059 -0.415 0.000 1.240 23 L HN 0.312 nan 8.230 nan 0.000 0.486 24 R N 2.311 122.768 120.500 -0.071 0.000 2.778 24 R HA 0.521 4.862 4.340 0.001 0.000 0.277 24 R C -0.601 175.692 176.300 -0.012 0.000 0.977 24 R CA -0.920 55.157 56.100 -0.039 0.000 0.950 24 R CB 2.099 32.389 30.300 -0.017 0.000 1.165 24 R HN 0.666 nan 8.270 nan 0.000 0.474 25 D N -1.011 119.399 120.400 0.017 0.000 2.433 25 D HA 0.157 4.798 4.640 0.001 0.000 0.236 25 D C -0.774 175.560 176.300 0.058 0.000 1.026 25 D CA -0.449 53.590 54.000 0.064 0.000 0.884 25 D CB 1.659 42.542 40.800 0.137 0.000 1.384 25 D HN 0.198 nan 8.370 nan 0.000 0.477 26 S N 1.305 117.042 115.700 0.062 0.000 2.629 26 S HA 0.258 4.728 4.470 0.001 0.000 0.302 26 S C -0.529 174.104 174.600 0.056 0.000 1.244 26 S CA -0.060 58.168 58.200 0.046 0.000 1.098 26 S CB -0.659 62.567 63.200 0.042 0.000 0.858 26 S HN 0.621 nan 8.310 nan 0.000 0.502 27 V N 6.010 125.946 119.914 0.036 0.000 3.207 27 V HA -0.125 3.995 4.120 0.001 0.000 0.455 27 V C -1.921 174.188 176.094 0.026 0.000 0.682 27 V CA -0.923 61.394 62.300 0.029 0.000 1.985 27 V CB -1.267 30.578 31.823 0.038 0.000 2.454 27 V HN 0.811 nan 8.190 nan 0.000 0.494 31 L N 0.608 121.816 121.223 -0.025 0.000 2.381 31 L HA 0.865 5.206 4.340 0.001 0.000 0.274 31 L C 0.680 177.530 176.870 -0.033 0.000 0.988 31 L CA -0.984 53.838 54.840 -0.031 0.000 0.824 31 L CB 1.155 43.211 42.059 -0.005 0.000 1.263 31 L HN 1.006 nan 8.230 nan 0.000 0.410 32 S N 1.337 117.009 115.700 -0.047 0.000 2.606 32 S HA 0.207 4.677 4.470 0.001 0.000 0.257 32 S C 1.088 175.671 174.600 -0.027 0.000 1.327 32 S CA 0.016 58.192 58.200 -0.041 0.000 0.984 32 S CB 0.620 63.788 63.200 -0.053 0.000 0.941 32 S HN 0.740 nan 8.310 nan 0.000 0.576 33 E N 1.379 121.565 120.200 -0.023 0.000 2.026 33 E HA -0.243 4.108 4.350 0.001 0.000 0.206 33 E C 1.728 178.319 176.600 -0.016 0.000 1.028 33 E CA 2.162 58.552 56.400 -0.017 0.000 0.845 33 E CB -0.761 28.930 29.700 -0.016 0.000 0.772 33 E HN 0.930 nan 8.360 nan 0.000 0.462 34 D N 0.907 121.295 120.400 -0.019 0.000 2.154 34 D HA -0.242 4.399 4.640 0.001 0.000 0.190 34 D C 1.728 178.019 176.300 -0.014 0.000 1.003 34 D CA 1.897 55.887 54.000 -0.016 0.000 0.849 34 D CB -0.848 39.941 40.800 -0.020 0.000 0.942 34 D HN 0.270 nan 8.370 nan 0.000 0.446 35 E N 0.271 120.460 120.200 -0.019 0.000 2.033 35 E HA -0.146 4.205 4.350 0.001 0.000 0.199 35 E C 2.391 178.987 176.600 -0.006 0.000 1.011 35 E CA 1.137 57.529 56.400 -0.013 0.000 0.815 35 E CB -0.399 29.289 29.700 -0.020 0.000 0.755 35 E HN 0.286 nan 8.360 nan 0.000 0.451 36 I N 0.638 121.205 120.570 -0.006 0.000 2.367 36 I HA -0.385 3.785 4.170 0.001 0.000 0.256 36 I C 2.084 178.200 176.117 -0.002 0.000 1.132 36 I CA 1.181 62.481 61.300 -0.000 0.000 1.397 36 I CB -0.128 37.871 38.000 -0.001 0.000 1.074 36 I HN 0.186 nan 8.210 nan 0.000 0.435 37 A N 0.496 123.313 122.820 -0.005 0.000 1.844 37 A HA -0.100 4.221 4.320 0.001 0.000 0.212 37 A C 2.232 179.813 177.584 -0.006 0.000 1.221 37 A CA 0.900 52.933 52.037 -0.005 0.000 0.607 37 A CB -0.534 18.463 19.000 -0.006 0.000 0.878 37 A HN 0.257 nan 8.150 nan 0.000 0.451 38 R N -0.031 120.465 120.500 -0.006 0.000 2.198 38 R HA -0.235 4.105 4.340 0.001 0.000 0.258 38 R C 1.816 178.110 176.300 -0.010 0.000 1.173 38 R CA 1.885 57.982 56.100 -0.005 0.000 0.991 38 R CB -0.875 29.424 30.300 -0.002 0.000 0.879 38 R HN 0.558 nan 8.270 nan 0.000 0.460 39 L N 0.451 121.667 121.223 -0.012 0.000 2.162 39 L HA -0.055 4.286 4.340 0.001 0.000 0.205 39 L C 2.086 178.940 176.870 -0.026 0.000 1.086 39 L CA 0.891 55.718 54.840 -0.022 0.000 0.778 39 L CB -0.394 41.655 42.059 -0.017 0.000 0.928 39 L HN -0.025 nan 8.230 nan 0.000 0.446 40 K N 0.907 121.297 120.400 -0.016 0.000 2.209 40 K HA -0.038 4.283 4.320 0.001 0.000 0.204 40 K C 2.062 178.650 176.600 -0.021 0.000 1.048 40 K CA 1.421 57.698 56.287 -0.017 0.000 0.940 40 K CB -0.792 31.702 32.500 -0.010 0.000 0.729 40 K HN 0.406 nan 8.250 nan 0.000 0.451 41 G N 1.532 110.321 108.800 -0.018 0.000 2.430 41 G HA2 -0.115 3.846 3.960 0.001 0.000 0.216 41 G HA3 -0.115 3.846 3.960 0.001 0.000 0.216 41 G C 1.672 176.558 174.900 -0.024 0.000 1.146 41 G CA 0.067 45.157 45.100 -0.017 0.000 0.793 41 G HN 0.136 nan 8.290 nan 0.000 0.537 42 I N 0.329 120.880 120.570 -0.031 0.000 2.099 42 I HA -0.173 3.997 4.170 0.001 0.000 0.239 42 I C 2.406 178.488 176.117 -0.059 0.000 1.066 42 I CA 1.447 62.721 61.300 -0.044 0.000 1.324 42 I CB 0.018 37.985 38.000 -0.056 0.000 1.037 42 I HN 0.212 nan 8.210 nan 0.000 0.401 43 N N -0.536 118.123 118.700 -0.068 0.000 2.324 43 N HA -0.089 4.652 4.740 0.001 0.000 0.235 43 N C 0.992 176.464 175.510 -0.063 0.000 1.162 43 N CA 0.982 53.983 53.050 -0.082 0.000 0.834 43 N CB 0.720 39.134 38.487 -0.122 0.000 1.354 43 N HN 0.419 nan 8.380 nan 0.000 0.471 44 E N -0.168 120.004 120.200 -0.047 0.000 3.708 44 E HA -0.292 4.059 4.350 0.001 0.000 0.307 44 E C -0.560 176.022 176.600 -0.030 0.000 0.696 44 E CA 2.100 58.481 56.400 -0.031 0.000 1.048 44 E CB -1.607 28.077 29.700 -0.026 0.000 1.556 44 E HN 0.194 nan 8.360 nan 0.000 0.448 45 D N 0.011 120.382 120.400 -0.048 0.000 2.360 45 D HA 0.185 4.826 4.640 0.001 0.000 0.210 45 D C 0.054 176.334 176.300 -0.033 0.000 1.047 45 D CA 0.075 54.049 54.000 -0.044 0.000 0.854 45 D CB 0.291 41.045 40.800 -0.078 0.000 0.936 45 D HN 0.222 nan 8.370 nan 0.000 0.514 46 L N 1.549 122.748 121.223 -0.040 0.000 2.281 46 L HA 0.278 4.619 4.340 0.001 0.000 0.285 46 L C 0.219 177.102 176.870 0.021 0.000 1.074 46 L CA -0.502 54.330 54.840 -0.013 0.000 0.817 46 L CB 0.574 42.601 42.059 -0.053 0.000 1.168 46 L HN -0.097 nan 8.230 nan 0.000 0.434 47 S N 4.357 120.090 115.700 0.054 0.000 2.601 47 S HA 0.287 4.758 4.470 0.001 0.000 0.271 47 S C 1.197 175.840 174.600 0.071 0.000 1.305 47 S CA -0.623 57.611 58.200 0.056 0.000 1.022 47 S CB 0.866 64.104 63.200 0.063 0.000 0.940 47 S HN 0.659 nan 8.310 nan 0.000 0.525 48 L N 1.327 122.583 121.223 0.056 0.000 2.141 48 L HA 0.004 4.344 4.340 0.001 0.000 0.209 48 L C 2.787 179.702 176.870 0.075 0.000 1.094 48 L CA 1.381 56.257 54.840 0.060 0.000 0.763 48 L CB -0.527 41.557 42.059 0.040 0.000 0.908 48 L HN 0.804 nan 8.230 nan 0.000 0.437 49 E N -0.271 119.971 120.200 0.069 0.000 2.106 49 E HA -0.267 4.084 4.350 0.001 0.000 0.192 49 E C 2.049 178.704 176.600 0.092 0.000 0.984 49 E CA 1.015 57.457 56.400 0.070 0.000 0.806 49 E CB 0.141 29.876 29.700 0.059 0.000 0.750 49 E HN 0.348 nan 8.360 nan 0.000 0.458 50 E N -0.257 120.011 120.200 0.114 0.000 2.077 50 E HA -0.150 4.200 4.350 0.001 0.000 0.193 50 E C 1.828 178.555 176.600 0.211 0.000 0.989 50 E CA 1.287 57.775 56.400 0.147 0.000 0.800 50 E CB -0.072 29.742 29.700 0.191 0.000 0.746 50 E HN 0.105 nan 8.360 nan 0.000 0.452 51 V N 0.905 120.974 119.914 0.259 0.000 2.307 51 V HA -0.228 3.892 4.120 0.001 0.000 0.245 51 V C 2.416 178.642 176.094 0.220 0.000 1.045 51 V CA 1.828 64.330 62.300 0.337 0.000 1.024 51 V CB -1.038 30.906 31.823 0.201 0.000 0.651 51 V HN 0.466 nan 8.190 nan 0.000 0.449 52 A N -0.325 122.578 122.820 0.138 0.000 1.873 52 A HA -0.227 4.093 4.320 0.001 0.000 0.215 52 A C 2.183 179.821 177.584 0.090 0.000 1.186 52 A CA 1.868 53.964 52.037 0.098 0.000 0.616 52 A CB -0.472 18.569 19.000 0.067 0.000 0.823 52 A HN 0.597 nan 8.150 nan 0.000 0.442 53 E N -1.105 119.149 120.200 0.091 0.000 2.208 53 E HA -0.063 4.287 4.350 0.001 0.000 0.193 53 E C 1.349 178.041 176.600 0.154 0.000 0.988 53 E CA 0.760 57.217 56.400 0.094 0.000 0.828 53 E CB 0.054 29.807 29.700 0.089 0.000 0.763 53 E HN 0.564 nan 8.360 nan 0.000 0.478 54 I N -1.310 119.312 120.570 0.086 0.000 3.632 54 I HA -0.053 4.118 4.170 0.001 0.000 0.246 54 I C 1.722 177.858 176.117 0.032 0.000 1.125 54 I CA 0.662 61.975 61.300 0.022 0.000 1.519 54 I CB -1.259 36.437 38.000 -0.507 0.000 1.555 54 I HN 0.064 nan 8.210 nan 0.000 0.452 55 Y N 1.264 121.687 120.300 0.205 0.000 2.293 55 Y HA -0.064 4.487 4.550 0.001 0.000 0.291 55 Y C 2.614 178.616 175.900 0.169 0.000 1.137 55 Y CA 0.856 59.057 58.100 0.169 0.000 1.202 55 Y CB -0.371 38.150 38.460 0.101 0.000 0.990 55 Y HN 0.046 nan 8.280 nan 0.000 0.537 56 L N 0.485 121.864 121.223 0.259 0.000 1.989 56 L HA -0.157 4.184 4.340 0.001 0.000 0.211 56 L C -0.597 176.368 176.870 0.158 0.000 1.071 56 L CA 1.628 56.581 54.840 0.189 0.000 0.749 56 L CB -1.195 40.940 42.059 0.126 0.000 0.890 56 L HN 0.156 nan 8.230 nan 0.000 0.431 57 P HA -0.192 nan 4.420 nan 0.000 0.218 57 P C 1.875 179.227 177.300 0.086 0.000 1.149 57 P CA 1.273 64.353 63.100 -0.034 0.000 0.817 57 P CB -0.013 31.500 31.700 -0.311 0.000 0.785 58 L N -0.077 121.350 121.223 0.340 0.000 2.005 58 L HA -0.160 4.181 4.340 0.001 0.000 0.207 58 L C 2.469 179.431 176.870 0.154 0.000 1.072 58 L CA 2.438 57.517 54.840 0.399 0.000 0.744 58 L CB -0.907 41.356 42.059 0.341 0.000 0.895 58 L HN 0.101 nan 8.230 nan 0.000 0.433 59 S N -0.515 115.268 115.700 0.138 0.000 2.383 59 S HA -0.257 4.213 4.470 0.001 0.000 0.229 59 S C 2.200 176.703 174.600 -0.162 0.000 1.030 59 S CA 0.927 59.156 58.200 0.049 0.000 1.002 59 S CB -0.383 62.942 63.200 0.208 0.000 0.829 59 S HN 0.351 nan 8.310 nan 0.000 0.467 60 R N 1.016 121.455 120.500 -0.102 0.000 2.081 60 R HA 0.074 4.415 4.340 0.001 0.000 0.235 60 R C 2.360 178.326 176.300 -0.556 0.000 1.131 60 R CA 1.592 57.486 56.100 -0.345 0.000 0.960 60 R CB -1.674 28.535 30.300 -0.151 0.000 0.856 60 R HN 0.580 nan 8.270 nan 0.000 0.436 61 L N 0.632 121.739 121.223 -0.194 0.000 1.989 61 L HA -0.142 4.199 4.340 0.001 0.000 0.211 61 L C 2.230 179.097 176.870 -0.005 0.000 1.071 61 L CA 1.694 56.554 54.840 0.034 0.000 0.749 61 L CB -0.572 41.613 42.059 0.209 0.000 0.890 61 L HN 0.167 nan 8.230 nan 0.000 0.431 62 L N 0.153 121.286 121.223 -0.151 0.000 2.079 62 L HA -0.276 4.064 4.340 0.001 0.000 0.210 62 L C 2.544 179.223 176.870 -0.320 0.000 1.081 62 L CA 1.806 56.482 54.840 -0.274 0.000 0.752 62 L CB -1.005 40.835 42.059 -0.365 0.000 0.896 62 L HN 0.580 nan 8.230 nan 0.000 0.433 63 N N 0.493 118.867 118.700 -0.542 0.000 2.166 63 N HA -0.230 4.510 4.740 0.001 0.000 0.186 63 N C 2.077 177.316 175.510 -0.450 0.000 1.019 63 N CA 1.433 54.061 53.050 -0.705 0.000 0.856 63 N CB -0.125 37.510 38.487 -1.419 0.000 0.993 63 N HN 0.303 nan 8.380 nan 0.000 0.426 64 F N 0.076 119.848 119.950 -0.296 0.000 2.126 64 F HA -0.193 4.334 4.527 0.001 0.000 0.299 64 F C 2.120 177.779 175.800 -0.236 0.000 1.096 64 F CA 0.961 58.811 58.000 -0.250 0.000 1.255 64 F CB -0.429 38.417 39.000 -0.256 0.000 0.997 64 F HN 0.050 nan 8.300 nan 0.000 0.479 65 Y N 0.296 120.596 120.300 -0.001 0.000 2.114 65 Y HA -0.240 4.311 4.550 0.001 0.000 0.284 65 Y C 2.382 178.167 175.900 -0.192 0.000 1.143 65 Y CA 1.601 59.684 58.100 -0.028 0.000 1.135 65 Y CB -0.511 37.944 38.460 -0.010 0.000 0.980 65 Y HN -0.065 nan 8.280 nan 0.000 0.499 66 I N -0.949 119.430 120.570 -0.319 0.000 2.127 66 I HA -0.382 3.788 4.170 0.001 0.000 0.241 66 I C 2.710 178.688 176.117 -0.232 0.000 1.075 66 I CA 1.745 62.673 61.300 -0.620 0.000 1.334 66 I CB -0.710 36.881 38.000 -0.681 0.000 1.040 66 I HN 0.209 nan 8.210 nan 0.000 0.405 67 S N 0.256 115.868 115.700 -0.146 0.000 2.359 67 S HA -0.279 4.192 4.470 0.001 0.000 0.224 67 S C 2.310 176.899 174.600 -0.018 0.000 1.035 67 S CA 2.172 60.334 58.200 -0.062 0.000 1.018 67 S CB -0.577 62.587 63.200 -0.061 0.000 0.876 67 S HN 0.509 nan 8.310 nan 0.000 0.448 68 S N 1.379 117.074 115.700 -0.010 0.000 2.387 68 S HA -0.204 4.267 4.470 0.001 0.000 0.230 68 S C 2.034 176.657 174.600 0.037 0.000 1.035 68 S CA 1.773 59.978 58.200 0.007 0.000 1.014 68 S CB -1.149 62.045 63.200 -0.010 0.000 0.836 68 S HN 0.743 nan 8.310 nan 0.000 0.466 69 N N 0.678 119.412 118.700 0.057 0.000 2.039 69 N HA -0.081 4.660 4.740 0.001 0.000 0.193 69 N C 1.938 177.496 175.510 0.079 0.000 1.044 69 N CA 1.815 54.928 53.050 0.105 0.000 0.847 69 N CB -0.325 38.263 38.487 0.168 0.000 1.030 69 N HN 0.462 nan 8.380 nan 0.000 0.422 70 L N 0.890 122.145 121.223 0.052 0.000 2.013 70 L HA -0.192 4.149 4.340 0.001 0.000 0.212 70 L C 2.794 179.691 176.870 0.045 0.000 1.073 70 L CA 1.205 56.076 54.840 0.052 0.000 0.753 70 L CB -0.548 41.535 42.059 0.040 0.000 0.890 70 L HN 0.238 nan 8.230 nan 0.000 0.432 71 R N 0.039 120.559 120.500 0.034 0.000 2.103 71 R HA -0.192 4.149 4.340 0.001 0.000 0.242 71 R C 2.595 178.916 176.300 0.035 0.000 1.142 71 R CA 1.465 57.582 56.100 0.029 0.000 0.960 71 R CB -0.178 30.133 30.300 0.018 0.000 0.858 71 R HN 0.194 nan 8.270 nan 0.000 0.439 72 R N 0.271 120.797 120.500 0.043 0.000 2.075 72 R HA -0.143 4.198 4.340 0.001 0.000 0.232 72 R C 2.210 178.546 176.300 0.059 0.000 1.126 72 R CA 1.843 57.973 56.100 0.049 0.000 0.963 72 R CB -0.162 30.173 30.300 0.059 0.000 0.858 72 R HN 0.390 nan 8.270 nan 0.000 0.435 73 Q N -0.274 119.565 119.800 0.066 0.000 2.045 73 Q HA -0.200 4.141 4.340 0.001 0.000 0.206 73 Q C 2.071 178.108 176.000 0.063 0.000 0.991 73 Q CA 2.399 58.243 55.803 0.068 0.000 0.851 73 Q CB -0.227 28.553 28.738 0.069 0.000 0.911 73 Q HN 0.407 nan 8.270 nan 0.000 0.418 74 A N -0.102 122.751 122.820 0.054 0.000 1.849 74 A HA -0.235 4.086 4.320 0.001 0.000 0.217 74 A C 2.285 179.903 177.584 0.058 0.000 1.202 74 A CA 1.959 54.026 52.037 0.050 0.000 0.629 74 A CB -1.210 17.814 19.000 0.040 0.000 0.834 74 A HN 0.271 nan 8.150 nan 0.000 0.447 75 V N 0.211 120.157 119.914 0.053 0.000 2.250 75 V HA -0.339 3.781 4.120 0.001 0.000 0.250 75 V C 2.622 178.778 176.094 0.103 0.000 1.060 75 V CA 2.344 64.678 62.300 0.056 0.000 1.030 75 V CB -0.911 30.928 31.823 0.028 0.000 0.643 75 V HN 0.574 nan 8.190 nan 0.000 0.445 76 L N -0.703 120.587 121.223 0.111 0.000 2.027 76 L HA -0.188 4.153 4.340 0.001 0.000 0.206 76 L C 2.553 179.510 176.870 0.145 0.000 1.074 76 L CA 1.856 56.797 54.840 0.169 0.000 0.745 76 L CB -0.719 41.419 42.059 0.132 0.000 0.898 76 L HN 0.317 nan 8.230 nan 0.000 0.433 77 E N -0.149 120.107 120.200 0.093 0.000 2.187 77 E HA -0.306 4.044 4.350 0.001 0.000 0.199 77 E C 2.176 178.816 176.600 0.066 0.000 1.004 77 E CA 1.487 57.925 56.400 0.065 0.000 0.813 77 E CB 0.058 29.789 29.700 0.053 0.000 0.736 77 E HN 0.388 nan 8.360 nan 0.000 0.468 78 Q N -0.673 119.183 119.800 0.093 0.000 1.916 78 Q HA -0.186 4.155 4.340 0.001 0.000 0.203 78 Q C 1.935 178.017 176.000 0.136 0.000 0.983 78 Q CA 1.527 57.389 55.803 0.099 0.000 0.846 78 Q CB -0.361 28.440 28.738 0.105 0.000 0.909 78 Q HN 0.335 nan 8.270 nan 0.000 0.427 79 F N 0.899 120.855 119.950 0.010 0.000 2.135 79 F HA -0.252 4.277 4.527 0.002 0.000 0.300 79 F C 1.326 177.131 175.800 0.008 0.000 1.074 79 F CA 1.692 59.697 58.000 0.009 0.000 1.262 79 F CB -0.079 38.927 39.000 0.009 0.000 1.013 79 F HN 0.148 nan 8.300 nan 0.000 0.489 80 L N -0.998 120.134 121.223 -0.152 0.000 2.766 80 L HA 0.411 4.751 4.340 0.001 0.000 0.242 80 L C 1.068 177.869 176.870 -0.116 0.000 1.136 80 L CA 0.238 54.922 54.840 -0.260 0.000 0.933 80 L CB -0.432 41.512 42.059 -0.191 0.000 1.241 80 L HN 0.101 nan 8.230 nan 0.000 0.522 81 G N 1.380 110.152 108.800 -0.047 0.000 2.331 81 G HA2 -0.217 3.743 3.960 0.001 0.000 0.254 81 G HA3 -0.217 3.743 3.960 0.001 0.000 0.254 81 G C -0.104 174.785 174.900 -0.018 0.000 0.879 81 G CA 0.323 45.410 45.100 -0.021 0.000 1.287 81 G HN 0.175 nan 8.290 nan 0.000 0.383 82 T N 2.266 116.821 114.554 0.001 0.000 2.792 82 T HA 0.460 4.811 4.350 0.001 0.000 0.280 82 T C 1.558 176.265 174.700 0.012 0.000 0.990 82 T CA 0.035 62.138 62.100 0.004 0.000 0.960 82 T CB 1.180 70.055 68.868 0.011 0.000 0.939 82 T HN 0.770 nan 8.240 nan 0.000 0.439 83 N N 3.372 122.077 118.700 0.008 0.000 2.013 83 N HA -0.078 4.663 4.740 0.001 0.000 0.191 83 N C 1.486 177.006 175.510 0.017 0.000 1.084 83 N CA 1.895 54.952 53.050 0.011 0.000 0.904 83 N CB -0.621 37.872 38.487 0.009 0.000 1.065 83 N HN 0.652 nan 8.380 nan 0.000 0.492 84 G N -2.525 106.286 108.800 0.018 0.000 2.477 84 G HA2 0.168 4.129 3.960 0.001 0.000 0.197 84 G HA3 0.168 4.129 3.960 0.001 0.000 0.197 84 G C -1.174 173.741 174.900 0.025 0.000 1.860 84 G CA 0.323 45.437 45.100 0.023 0.000 0.714 84 G HN 0.860 nan 8.290 nan 0.000 0.782 85 Q N 0.223 120.036 119.800 0.023 0.000 2.588 85 Q HA -0.230 4.110 4.340 0.001 0.000 0.234 85 Q C -0.560 175.458 176.000 0.030 0.000 1.382 85 Q CA 0.687 56.504 55.803 0.023 0.000 0.700 85 Q CB -0.656 28.095 28.738 0.021 0.000 0.808 85 Q HN 0.591 nan 8.270 nan 0.000 0.310 86 R N 5.413 125.931 120.500 0.030 0.000 2.419 86 R HA 0.348 4.689 4.340 0.001 0.000 0.305 86 R C -0.163 176.159 176.300 0.036 0.000 1.242 86 R CA -0.443 55.680 56.100 0.038 0.000 1.105 86 R CB 0.237 30.561 30.300 0.039 0.000 1.116 86 R HN 0.453 nan 8.270 nan 0.000 0.523 87 I N 7.146 127.742 120.570 0.044 0.000 2.322 87 I HA 0.258 4.429 4.170 0.001 0.000 0.292 87 I C -1.793 174.359 176.117 0.060 0.000 1.060 87 I CA -3.089 58.236 61.300 0.041 0.000 1.309 87 I CB 0.543 38.571 38.000 0.047 0.000 1.415 87 I HN 0.543 nan 8.210 nan 0.000 0.492 88 P HA 0.106 nan 4.420 nan 0.000 0.277 88 P C -1.021 176.339 177.300 0.100 0.000 1.240 88 P CA -0.332 62.811 63.100 0.072 0.000 0.798 88 P CB 0.771 32.493 31.700 0.036 0.000 0.979 89 Y N 1.922 122.221 120.300 -0.001 0.000 2.365 89 Y HA 0.361 4.911 4.550 0.001 0.000 0.340 89 Y C 0.069 175.966 175.900 -0.005 0.000 1.016 89 Y CA -0.092 58.008 58.100 0.001 0.000 1.196 89 Y CB 0.085 38.533 38.460 -0.019 0.000 1.167 89 Y HN 0.159 nan 8.280 nan 0.000 0.509 90 I N 7.678 128.131 120.570 -0.196 0.000 2.359 90 I HA 0.336 4.506 4.170 0.001 0.000 0.294 90 I C -0.743 175.301 176.117 -0.123 0.000 0.987 90 I CA -0.339 60.899 61.300 -0.103 0.000 1.225 90 I CB 1.276 39.222 38.000 -0.091 0.000 1.366 90 I HN 0.464 nan 8.210 nan 0.000 0.466 91 I N 5.558 126.143 120.570 0.025 0.000 2.418 91 I HA 0.305 4.476 4.170 0.001 0.000 0.287 91 I C -0.048 176.117 176.117 0.080 0.000 1.008 91 I CA -0.182 61.179 61.300 0.102 0.000 1.104 91 I CB 1.815 39.916 38.000 0.169 0.000 1.264 91 I HN 0.597 nan 8.210 nan 0.000 0.438 92 S N 6.716 122.460 115.700 0.073 0.000 2.638 92 S HA 0.814 5.284 4.470 0.001 0.000 0.298 92 S C -0.589 174.049 174.600 0.063 0.000 1.111 92 S CA -0.722 57.506 58.200 0.046 0.000 1.027 92 S CB 1.854 65.061 63.200 0.012 0.000 1.064 92 S HN 0.455 nan 8.310 nan 0.000 0.525 93 I N 1.409 122.000 120.570 0.036 0.000 2.478 93 I HA 0.624 4.794 4.170 0.001 0.000 0.287 93 I C 0.057 176.157 176.117 -0.027 0.000 1.042 93 I CA -0.709 60.605 61.300 0.024 0.000 1.067 93 I CB 1.685 39.702 38.000 0.028 0.000 1.233 93 I HN 0.925 nan 8.210 nan 0.000 0.431 94 A N 4.356 127.133 122.820 -0.071 0.000 2.347 94 A HA 1.062 5.383 4.320 0.001 0.000 0.301 94 A C -0.042 177.289 177.584 -0.421 0.000 1.163 94 A CA -0.313 51.622 52.037 -0.171 0.000 0.860 94 A CB 1.708 20.659 19.000 -0.082 0.000 1.367 94 A HN 0.987 nan 8.150 nan 0.000 0.461 95 G N -1.423 107.063 108.800 -0.523 0.000 2.368 95 G HA2 0.514 4.475 3.960 0.001 0.000 0.302 95 G HA3 0.514 4.475 3.960 0.001 0.000 0.302 95 G C -0.114 174.657 174.900 -0.215 0.000 1.329 95 G CA 0.268 44.995 45.100 -0.621 0.000 0.935 95 G HN 1.723 nan 8.290 nan 0.000 0.590 96 S N -1.855 113.805 115.700 -0.066 0.000 2.625 96 S HA 0.616 5.086 4.470 0.001 0.000 0.262 96 S C 0.850 175.536 174.600 0.144 0.000 1.223 96 S CA 0.199 58.455 58.200 0.094 0.000 0.993 96 S CB 0.964 64.295 63.200 0.218 0.000 1.051 96 S HN 1.406 nan 8.310 nan 0.000 0.562 97 V N 1.783 121.849 119.914 0.254 0.000 2.715 97 V HA 0.458 4.578 4.120 0.001 0.000 0.299 97 V C 1.207 177.437 176.094 0.226 0.000 1.054 97 V CA 0.755 63.202 62.300 0.244 0.000 1.077 97 V CB 0.128 32.184 31.823 0.389 0.000 0.972 97 V HN 1.564 nan 8.190 nan 0.000 0.484 98 A N 3.864 126.738 122.820 0.090 0.000 2.799 98 A HA -0.161 4.160 4.320 0.001 0.000 0.287 98 A C 1.293 178.913 177.584 0.060 0.000 1.484 98 A CA 1.042 53.094 52.037 0.025 0.000 0.813 98 A CB -1.756 17.275 19.000 0.051 0.000 1.009 98 A HN 1.040 nan 8.150 nan 0.000 0.545 99 V N -1.286 118.685 119.914 0.096 0.000 3.129 99 V HA 0.392 4.513 4.120 0.001 0.000 0.259 99 V C 1.888 177.973 176.094 -0.015 0.000 1.116 99 V CA 2.222 64.596 62.300 0.122 0.000 1.127 99 V CB 0.168 32.084 31.823 0.156 0.000 0.742 99 V HN 2.367 nan 8.190 nan 0.000 0.474 100 G N -0.250 108.501 108.800 -0.082 0.000 2.145 100 G HA2 -0.193 3.768 3.960 0.001 0.000 0.145 100 G HA3 -0.193 3.768 3.960 0.001 0.000 0.145 100 G C 0.635 175.483 174.900 -0.086 0.000 1.017 100 G CA 0.367 45.386 45.100 -0.135 0.000 0.682 100 G HN 0.417 nan 8.290 nan 0.000 0.504 101 K N 0.446 120.808 120.400 -0.064 0.000 2.009 101 K HA -0.044 4.277 4.320 0.001 0.000 0.210 101 K C 2.680 179.251 176.600 -0.047 0.000 1.049 101 K CA 1.745 58.003 56.287 -0.048 0.000 0.929 101 K CB -0.279 32.197 32.500 -0.039 0.000 0.714 101 K HN 0.276 nan 8.250 nan 0.000 0.440 102 S N 0.343 116.009 115.700 -0.057 0.000 2.353 102 S HA -0.162 4.309 4.470 0.001 0.000 0.222 102 S C 2.054 176.610 174.600 -0.074 0.000 1.035 102 S CA 1.877 60.047 58.200 -0.049 0.000 1.025 102 S CB -0.423 62.739 63.200 -0.063 0.000 0.902 102 S HN 0.361 nan 8.310 nan 0.000 0.440 103 T N 1.912 116.394 114.554 -0.119 0.000 2.635 103 T HA -0.137 4.214 4.350 0.001 0.000 0.267 103 T C 2.055 176.646 174.700 -0.182 0.000 1.040 103 T CA 1.963 63.967 62.100 -0.159 0.000 1.156 103 T CB -0.941 67.799 68.868 -0.213 0.000 0.863 103 T HN 0.483 nan 8.240 nan 0.000 0.430 104 T N 2.083 116.537 114.554 -0.167 0.000 2.684 104 T HA -0.092 4.259 4.350 0.001 0.000 0.267 104 T C 2.361 177.009 174.700 -0.086 0.000 1.036 104 T CA 1.302 63.306 62.100 -0.161 0.000 1.148 104 T CB -0.695 68.154 68.868 -0.032 0.000 0.863 104 T HN 0.454 nan 8.240 nan 0.000 0.436 105 A N 1.774 124.570 122.820 -0.041 0.000 1.851 105 A HA -0.155 4.165 4.320 0.001 0.000 0.216 105 A C 2.383 179.959 177.584 -0.012 0.000 1.195 105 A CA 1.836 53.870 52.037 -0.004 0.000 0.622 105 A CB -0.705 18.303 19.000 0.013 0.000 0.831 105 A HN 0.394 nan 8.150 nan 0.000 0.444 106 R N -0.982 119.500 120.500 -0.029 0.000 2.117 106 R HA -0.118 4.222 4.340 0.001 0.000 0.243 106 R C 2.053 178.330 176.300 -0.038 0.000 1.143 106 R CA 1.539 57.625 56.100 -0.025 0.000 0.968 106 R CB -0.524 29.755 30.300 -0.035 0.000 0.863 106 R HN 0.396 nan 8.270 nan 0.000 0.444 107 V N 0.589 120.450 119.914 -0.088 0.000 2.307 107 V HA -0.212 3.909 4.120 0.001 0.000 0.245 107 V C 2.063 178.141 176.094 -0.027 0.000 1.045 107 V CA 1.323 63.562 62.300 -0.102 0.000 1.024 107 V CB -0.316 31.347 31.823 -0.266 0.000 0.651 107 V HN 0.238 nan 8.190 nan 0.000 0.449 108 L N 0.382 121.600 121.223 -0.009 0.000 2.083 108 L HA -0.208 4.133 4.340 0.001 0.000 0.209 108 L C 2.642 179.546 176.870 0.057 0.000 1.083 108 L CA 2.400 57.271 54.840 0.051 0.000 0.752 108 L CB -1.367 40.724 42.059 0.054 0.000 0.899 108 L HN 0.675 nan 8.230 nan 0.000 0.433 109 Q N -0.849 118.975 119.800 0.040 0.000 2.124 109 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 109 Q C 2.064 178.101 176.000 0.062 0.000 0.977 109 Q CA 1.961 57.794 55.803 0.051 0.000 0.850 109 Q CB -0.292 28.472 28.738 0.043 0.000 0.901 109 Q HN 0.347 nan 8.270 nan 0.000 0.429 110 A N 1.609 124.457 122.820 0.046 0.000 1.835 110 A HA -0.125 4.195 4.320 0.001 0.000 0.215 110 A C 2.202 179.829 177.584 0.073 0.000 1.199 110 A CA 1.577 53.641 52.037 0.045 0.000 0.615 110 A CB -0.973 18.040 19.000 0.021 0.000 0.838 110 A HN 0.433 nan 8.150 nan 0.000 0.444 111 L N -0.513 120.766 121.223 0.093 0.000 2.012 111 L HA -0.212 4.128 4.340 0.001 0.000 0.210 111 L C 2.608 179.632 176.870 0.256 0.000 1.073 111 L CA 1.246 56.173 54.840 0.146 0.000 0.748 111 L CB -0.736 41.434 42.059 0.185 0.000 0.891 111 L HN 0.368 nan 8.230 nan 0.000 0.431 112 L N -0.604 120.770 121.223 0.251 0.000 2.127 112 L HA -0.221 4.119 4.340 0.001 0.000 0.211 112 L C 2.670 179.790 176.870 0.417 0.000 1.089 112 L CA 1.036 56.074 54.840 0.329 0.000 0.757 112 L CB -0.455 41.667 42.059 0.105 0.000 0.899 112 L HN 0.274 nan 8.230 nan 0.000 0.434 113 S N -0.236 115.615 115.700 0.252 0.000 2.402 113 S HA -0.175 4.296 4.470 0.001 0.000 0.229 113 S C 1.850 176.545 174.600 0.158 0.000 1.021 113 S CA 1.094 59.420 58.200 0.210 0.000 0.974 113 S CB -0.319 62.950 63.200 0.114 0.000 0.800 113 S HN 0.507 nan 8.310 nan 0.000 0.484 114 R N 0.087 120.641 120.500 0.091 0.000 2.377 114 R HA -0.074 4.267 4.340 0.001 0.000 0.207 114 R C -0.157 175.989 176.300 -0.257 0.000 1.075 114 R CA 0.506 56.537 56.100 -0.115 0.000 1.035 114 R CB -0.115 30.037 30.300 -0.247 0.000 0.857 114 R HN 0.343 nan 8.270 nan 0.000 0.475 115 W N 1.377 122.638 121.300 -0.064 0.000 2.361 115 W HA 0.271 4.931 4.660 0.001 0.000 0.309 115 W C -2.071 174.274 176.519 -0.290 0.000 1.122 115 W CA -2.753 54.467 57.345 -0.209 0.000 1.208 115 W CB 1.653 30.914 29.460 -0.332 0.000 1.246 115 W HN -0.051 nan 8.180 nan 0.000 0.490 116 P HA -0.184 nan 4.420 nan 0.000 0.222 116 P C 1.256 178.498 177.300 -0.097 0.000 1.147 116 P CA 1.553 64.616 63.100 -0.062 0.000 0.790 116 P CB 0.268 31.942 31.700 -0.043 0.000 0.780 117 E N -1.479 118.614 120.200 -0.179 0.000 2.160 117 E HA -0.223 4.128 4.350 0.001 0.000 0.195 117 E C 1.181 177.639 176.600 -0.236 0.000 0.991 117 E CA 1.322 57.589 56.400 -0.221 0.000 0.810 117 E CB -0.013 29.574 29.700 -0.189 0.000 0.742 117 E HN 0.531 nan 8.360 nan 0.000 0.466 118 H N -2.775 116.351 119.070 0.093 0.000 2.258 118 H HA 0.402 4.958 4.556 0.001 0.000 0.185 118 H C 0.588 175.960 175.328 0.074 0.000 0.986 118 H CA 0.043 56.131 56.048 0.067 0.000 1.166 118 H CB 0.316 30.112 29.762 0.056 0.000 1.161 118 H HN -0.143 nan 8.280 nan 0.000 0.420 119 R N -0.541 120.117 120.500 0.264 0.000 3.840 119 R HA -0.134 4.207 4.340 0.001 0.000 0.464 119 R C -0.372 176.034 176.300 0.176 0.000 0.986 119 R CA 1.149 57.368 56.100 0.198 0.000 1.305 119 R CB -1.531 28.818 30.300 0.083 0.000 1.950 119 R HN 0.267 nan 8.270 nan 0.000 0.526 120 R N 1.067 121.679 120.500 0.187 0.000 2.388 120 R HA 0.521 4.861 4.340 0.001 0.000 0.314 120 R C -1.209 175.155 176.300 0.106 0.000 0.959 120 R CA -0.542 55.631 56.100 0.122 0.000 0.851 120 R CB 1.971 32.335 30.300 0.107 0.000 1.168 120 R HN -0.089 nan 8.270 nan 0.000 0.472 121 V N 2.563 122.530 119.914 0.088 0.000 2.567 121 V HA 0.268 4.389 4.120 0.001 0.000 0.298 121 V C -0.208 175.929 176.094 0.071 0.000 1.047 121 V CA -0.985 61.358 62.300 0.071 0.000 0.880 121 V CB 2.065 33.926 31.823 0.063 0.000 1.009 121 V HN 0.591 nan 8.190 nan 0.000 0.429 122 E N 3.024 123.269 120.200 0.075 0.000 2.283 122 E HA 0.639 4.989 4.350 0.001 0.000 0.267 122 E C -1.178 175.478 176.600 0.093 0.000 1.045 122 E CA -0.622 55.830 56.400 0.088 0.000 0.884 122 E CB 2.741 32.503 29.700 0.103 0.000 1.106 122 E HN 0.652 nan 8.360 nan 0.000 0.408 123 L N 3.784 125.069 121.223 0.103 0.000 2.441 123 L HA 0.368 4.708 4.340 0.001 0.000 0.270 123 L C -1.620 175.328 176.870 0.131 0.000 0.973 123 L CA -0.634 54.269 54.840 0.105 0.000 0.842 123 L CB 0.950 43.057 42.059 0.080 0.000 1.239 123 L HN 0.307 nan 8.230 nan 0.000 0.406 124 I N 3.714 124.381 120.570 0.160 0.000 2.389 124 I HA 0.341 4.512 4.170 0.001 0.000 0.288 124 I C 0.330 176.545 176.117 0.164 0.000 0.999 124 I CA -0.364 61.051 61.300 0.191 0.000 1.129 124 I CB 1.844 40.031 38.000 0.311 0.000 1.288 124 I HN 0.562 nan 8.210 nan 0.000 0.444 125 T N 2.648 117.299 114.554 0.162 0.000 2.799 125 T HA 0.178 4.528 4.350 0.001 0.000 0.286 125 T C 1.198 176.013 174.700 0.191 0.000 0.973 125 T CA -0.169 62.020 62.100 0.148 0.000 1.035 125 T CB 0.801 69.759 68.868 0.150 0.000 0.932 125 T HN 0.668 nan 8.240 nan 0.000 0.469 126 T N 3.468 118.106 114.554 0.141 0.000 2.848 126 T HA -0.127 4.224 4.350 0.001 0.000 0.269 126 T C 1.233 176.127 174.700 0.323 0.000 1.081 126 T CA 1.837 64.036 62.100 0.164 0.000 1.125 126 T CB -0.560 68.337 68.868 0.047 0.000 0.848 126 T HN 0.717 nan 8.240 nan 0.000 0.503 127 D N 0.559 121.069 120.400 0.184 0.000 2.149 127 D HA -0.066 4.574 4.640 0.001 0.000 0.198 127 D C 2.213 178.564 176.300 0.084 0.000 0.990 127 D CA 1.235 55.226 54.000 -0.014 0.000 0.839 127 D CB -0.807 39.807 40.800 -0.311 0.000 0.948 127 D HN 0.529 nan 8.370 nan 0.000 0.460 128 G N -0.477 108.452 108.800 0.215 0.000 2.498 128 G HA2 -0.221 3.739 3.960 0.001 0.000 0.219 128 G HA3 -0.221 3.739 3.960 0.001 0.000 0.219 128 G C 0.907 175.800 174.900 -0.012 0.000 1.119 128 G CA 0.075 45.246 45.100 0.119 0.000 0.766 128 G HN 0.218 nan 8.290 nan 0.000 0.552 129 F N 0.477 120.453 119.950 0.042 0.000 2.692 129 F HA 0.414 4.942 4.527 0.001 0.000 0.303 129 F C 1.092 176.905 175.800 0.021 0.000 1.114 129 F CA -0.707 57.318 58.000 0.041 0.000 1.361 129 F CB -0.145 38.900 39.000 0.075 0.000 1.063 129 F HN -0.090 nan 8.300 nan 0.000 0.550 130 L N -0.429 120.846 121.223 0.087 0.000 2.466 130 L HA 0.127 4.468 4.340 0.001 0.000 0.257 130 L C 0.706 177.537 176.870 -0.064 0.000 1.189 130 L CA -0.467 54.301 54.840 -0.120 0.000 0.813 130 L CB 0.193 42.148 42.059 -0.172 0.000 1.118 130 L HN 0.031 nan 8.230 nan 0.000 0.471 131 H N 0.633 119.704 119.070 0.000 0.000 2.683 131 H HA 0.179 4.735 4.556 0.001 0.000 0.339 131 H C -2.098 173.214 175.328 -0.026 0.000 1.081 131 H CA -1.913 54.135 56.048 -0.000 0.000 1.432 131 H CB 0.601 30.360 29.762 -0.006 0.000 1.462 131 H HN 0.267 nan 8.280 nan 0.000 0.557 132 P HA -0.052 nan 4.420 nan 0.000 0.266 132 P C 0.709 177.987 177.300 -0.035 0.000 1.195 132 P CA -0.038 63.065 63.100 0.006 0.000 0.768 132 P CB 0.723 32.413 31.700 -0.016 0.000 0.838 133 N N 1.483 120.124 118.700 -0.097 0.000 2.096 133 N HA -0.258 4.483 4.740 0.001 0.000 0.195 133 N C 1.592 177.015 175.510 -0.145 0.000 1.017 133 N CA 1.420 54.368 53.050 -0.171 0.000 0.870 133 N CB -0.616 37.723 38.487 -0.248 0.000 1.024 133 N HN 0.592 nan 8.380 nan 0.000 0.434 134 Q N 0.304 120.043 119.800 -0.103 0.000 2.077 134 Q HA -0.155 4.185 4.340 0.001 0.000 0.206 134 Q C 1.746 177.695 176.000 -0.084 0.000 0.989 134 Q CA 1.696 57.450 55.803 -0.083 0.000 0.853 134 Q CB -0.002 28.699 28.738 -0.062 0.000 0.907 134 Q HN 0.246 nan 8.270 nan 0.000 0.418 135 V N 1.028 120.895 119.914 -0.078 0.000 2.358 135 V HA -0.272 3.848 4.120 0.001 0.000 0.246 135 V C 2.400 178.419 176.094 -0.125 0.000 1.047 135 V CA 1.383 63.619 62.300 -0.108 0.000 1.035 135 V CB -0.547 31.203 31.823 -0.121 0.000 0.658 135 V HN 0.393 nan 8.190 nan 0.000 0.452 136 L N -0.294 120.870 121.223 -0.100 0.000 2.012 136 L HA -0.233 4.107 4.340 0.001 0.000 0.210 136 L C 2.708 179.499 176.870 -0.132 0.000 1.073 136 L CA 1.876 56.652 54.840 -0.106 0.000 0.748 136 L CB -0.668 41.325 42.059 -0.109 0.000 0.891 136 L HN 0.336 nan 8.230 nan 0.000 0.431 137 K N 0.078 120.387 120.400 -0.153 0.000 2.063 137 K HA -0.220 4.101 4.320 0.001 0.000 0.208 137 K C 1.867 178.421 176.600 -0.076 0.000 1.048 137 K CA 1.671 57.884 56.287 -0.125 0.000 0.928 137 K CB -0.260 32.182 32.500 -0.096 0.000 0.713 137 K HN 0.462 nan 8.250 nan 0.000 0.442 138 E N 0.549 120.701 120.200 -0.080 0.000 2.160 138 E HA -0.184 4.167 4.350 0.001 0.000 0.195 138 E C 1.672 178.228 176.600 -0.073 0.000 0.991 138 E CA 1.060 57.419 56.400 -0.069 0.000 0.810 138 E CB -0.051 29.602 29.700 -0.077 0.000 0.742 138 E HN 0.184 nan 8.360 nan 0.000 0.466 139 R N -0.396 120.048 120.500 -0.092 0.000 2.359 139 R HA 0.144 4.484 4.340 0.001 0.000 0.231 139 R C 0.688 176.942 176.300 -0.078 0.000 0.913 139 R CA 0.504 56.549 56.100 -0.092 0.000 1.075 139 R CB 0.639 30.867 30.300 -0.121 0.000 1.087 139 R HN 0.179 nan 8.270 nan 0.000 0.515 140 G N 1.273 110.033 108.800 -0.067 0.000 2.366 140 G HA2 -0.273 3.687 3.960 0.001 0.000 0.299 140 G HA3 -0.273 3.687 3.960 0.001 0.000 0.299 140 G C -0.172 174.690 174.900 -0.062 0.000 1.020 140 G CA 0.365 45.436 45.100 -0.048 0.000 1.026 140 G HN 0.203 nan 8.290 nan 0.000 0.512 144 K N 1.673 122.094 120.400 0.035 0.000 2.493 144 K HA 0.210 4.531 4.320 0.001 0.000 0.207 144 K C -0.302 176.387 176.600 0.148 0.000 1.033 144 K CA -0.047 56.196 56.287 -0.073 0.000 1.161 144 K CB 0.601 32.867 32.500 -0.390 0.000 0.873 144 K HN -0.103 nan 8.250 nan 0.000 0.491 145 K N 0.454 120.944 120.400 0.149 0.000 2.453 145 K HA -0.034 4.287 4.320 0.001 0.000 0.280 145 K C 0.738 177.424 176.600 0.143 0.000 1.045 145 K CA 0.979 57.320 56.287 0.089 0.000 1.059 145 K CB 0.520 33.075 32.500 0.092 0.000 0.901 145 K HN 0.478 nan 8.250 nan 0.000 0.475 146 G N 3.128 111.941 108.800 0.022 0.000 2.192 146 G HA2 -0.217 3.743 3.960 0.001 0.000 0.193 146 G HA3 -0.217 3.743 3.960 0.001 0.000 0.193 146 G C -0.312 174.815 174.900 0.379 0.000 0.999 146 G CA -0.699 44.516 45.100 0.191 0.000 0.659 146 G HN 0.460 nan 8.290 nan 0.000 0.503 147 F N 0.664 120.702 119.950 0.147 0.000 2.377 147 F HA 0.539 5.067 4.527 0.001 0.000 0.328 147 F C -0.496 175.442 175.800 0.231 0.000 1.094 147 F CA -1.745 56.337 58.000 0.136 0.000 1.093 147 F CB 1.483 40.508 39.000 0.041 0.000 1.214 147 F HN -0.205 nan 8.300 nan 0.000 0.518 148 P HA -0.227 nan 4.420 nan 0.000 0.218 148 P C 0.675 178.134 177.300 0.264 0.000 1.152 148 P CA 1.857 64.881 63.100 -0.126 0.000 0.857 148 P CB 0.130 31.367 31.700 -0.772 0.000 0.787 149 E N -1.032 119.304 120.200 0.227 0.000 2.427 149 E HA -0.052 4.298 4.350 0.001 0.000 0.196 149 E C 1.674 178.420 176.600 0.243 0.000 1.028 149 E CA 1.016 57.467 56.400 0.085 0.000 0.864 149 E CB -0.395 29.179 29.700 -0.211 0.000 0.813 149 E HN 0.343 nan 8.360 nan 0.000 0.514 150 S N -0.591 115.251 115.700 0.237 0.000 2.575 150 S HA 0.058 4.529 4.470 0.001 0.000 0.215 150 S C 0.047 174.607 174.600 -0.066 0.000 0.966 150 S CA -0.353 57.918 58.200 0.119 0.000 0.911 150 S CB -0.078 63.103 63.200 -0.033 0.000 0.780 150 S HN 0.094 nan 8.310 nan 0.000 0.514 151 Y N 1.329 121.712 120.300 0.138 0.000 2.446 151 Y HA 0.638 5.189 4.550 0.001 0.000 0.338 151 Y C 0.282 176.104 175.900 -0.131 0.000 1.055 151 Y CA -1.091 57.026 58.100 0.028 0.000 1.101 151 Y CB 1.187 39.788 38.460 0.235 0.000 1.221 151 Y HN 0.110 nan 8.280 nan 0.000 0.460 155 R N 0.908 121.538 120.500 0.216 0.000 2.075 155 R HA -0.060 4.280 4.340 0.001 0.000 0.232 155 R C 1.791 178.274 176.300 0.305 0.000 1.126 155 R CA 1.587 57.826 56.100 0.233 0.000 0.963 155 R CB -0.148 30.292 30.300 0.233 0.000 0.858 155 R HN 0.194 nan 8.270 nan 0.000 0.435 156 L N 0.758 122.121 121.223 0.234 0.000 1.994 156 L HA -0.133 4.208 4.340 0.001 0.000 0.208 156 L C 2.123 178.918 176.870 -0.124 0.000 1.071 156 L CA 1.607 56.355 54.840 -0.153 0.000 0.745 156 L CB -0.625 41.138 42.059 -0.492 0.000 0.892 156 L HN -0.052 nan 8.230 nan 0.000 0.431 157 V N 0.073 119.873 119.914 -0.189 0.000 2.392 157 V HA -0.277 3.843 4.120 0.001 0.000 0.249 157 V C 2.785 178.740 176.094 -0.232 0.000 1.059 157 V CA 1.821 63.985 62.300 -0.227 0.000 1.051 157 V CB -0.875 30.767 31.823 -0.302 0.000 0.658 157 V HN 0.445 nan 8.190 nan 0.000 0.455 158 K N -0.435 119.903 120.400 -0.104 0.000 2.097 158 K HA -0.172 4.149 4.320 0.001 0.000 0.206 158 K C 2.042 178.623 176.600 -0.032 0.000 1.049 158 K CA 1.513 57.755 56.287 -0.075 0.000 0.933 158 K CB -0.609 31.914 32.500 0.039 0.000 0.717 158 K HN 0.434 nan 8.250 nan 0.000 0.442 159 F N 1.523 121.430 119.950 -0.072 0.000 2.026 159 F HA -0.244 4.283 4.527 0.001 0.000 0.296 159 F C 2.163 177.883 175.800 -0.134 0.000 1.133 159 F CA 2.092 60.081 58.000 -0.019 0.000 1.188 159 F CB -0.977 38.101 39.000 0.130 0.000 0.968 159 F HN -0.089 nan 8.300 nan 0.000 0.476 160 V N -1.518 118.156 119.914 -0.401 0.000 2.490 160 V HA -0.173 3.947 4.120 0.001 0.000 0.250 160 V C 2.386 178.093 176.094 -0.644 0.000 1.061 160 V CA 2.115 64.106 62.300 -0.516 0.000 1.064 160 V CB -1.383 30.275 31.823 -0.274 0.000 0.670 160 V HN 0.499 nan 8.190 nan 0.000 0.461 161 S N 0.442 115.602 115.700 -0.899 0.000 2.368 161 S HA -0.240 4.230 4.470 0.001 0.000 0.225 161 S C 1.765 176.050 174.600 -0.525 0.000 1.030 161 S CA 1.872 59.330 58.200 -1.237 0.000 0.999 161 S CB -0.660 61.932 63.200 -1.014 0.000 0.844 161 S HN 0.738 nan 8.310 nan 0.000 0.459 162 D N 1.268 121.460 120.400 -0.347 0.000 2.084 162 D HA -0.046 4.594 4.640 0.001 0.000 0.194 162 D C 2.024 178.207 176.300 -0.194 0.000 0.990 162 D CA 1.115 55.000 54.000 -0.192 0.000 0.826 162 D CB -0.607 40.132 40.800 -0.101 0.000 0.971 162 D HN 0.367 nan 8.370 nan 0.000 0.453 163 L N 0.215 121.261 121.223 -0.296 0.000 2.013 163 L HA -0.208 4.133 4.340 0.001 0.000 0.212 163 L C 2.087 178.874 176.870 -0.138 0.000 1.073 163 L CA 1.267 55.956 54.840 -0.250 0.000 0.753 163 L CB -0.246 41.581 42.059 -0.386 0.000 0.890 163 L HN -0.106 nan 8.230 nan 0.000 0.432 164 K N -0.757 119.566 120.400 -0.128 0.000 2.525 164 K HA 0.037 4.358 4.320 0.001 0.000 0.192 164 K C 1.757 178.369 176.600 0.021 0.000 1.029 164 K CA 0.391 56.680 56.287 0.004 0.000 1.029 164 K CB 0.085 32.697 32.500 0.188 0.000 0.814 164 K HN 0.085 nan 8.250 nan 0.000 0.503 165 S N -1.473 114.206 115.700 -0.034 0.000 2.517 165 S HA 0.185 4.655 4.470 0.001 0.000 0.214 165 S C 1.105 175.700 174.600 -0.008 0.000 0.991 165 S CA 0.445 58.638 58.200 -0.012 0.000 0.906 165 S CB 0.727 63.904 63.200 -0.038 0.000 0.789 165 S HN 0.489 nan 8.310 nan 0.000 0.513 166 G N 1.145 109.936 108.800 -0.015 0.000 2.176 166 G HA2 -0.233 3.728 3.960 0.001 0.000 0.232 166 G HA3 -0.233 3.728 3.960 0.001 0.000 0.232 166 G C 0.125 175.021 174.900 -0.007 0.000 0.986 166 G CA -0.112 44.985 45.100 -0.004 0.000 0.643 166 G HN 0.373 nan 8.290 nan 0.000 0.522 167 V N 3.031 122.934 119.914 -0.018 0.000 2.493 167 V HA 0.115 4.236 4.120 0.001 0.000 0.292 167 V C 0.556 176.649 176.094 -0.001 0.000 1.016 167 V CA -0.064 62.231 62.300 -0.009 0.000 1.097 167 V CB 0.810 32.625 31.823 -0.014 0.000 0.947 167 V HN 0.313 nan 8.190 nan 0.000 0.479 168 P HA -0.126 nan 4.420 nan 0.000 0.208 168 P C 0.207 177.524 177.300 0.028 0.000 1.189 168 P CA 1.187 64.299 63.100 0.019 0.000 0.931 168 P CB 0.193 31.905 31.700 0.020 0.000 0.783 169 N N -0.200 118.522 118.700 0.036 0.000 2.446 169 N HA 0.324 5.065 4.740 0.001 0.000 0.265 169 N C -0.971 174.581 175.510 0.072 0.000 0.975 169 N CA -0.346 52.736 53.050 0.053 0.000 0.928 169 N CB 2.061 40.576 38.487 0.047 0.000 1.160 169 N HN -0.122 nan 8.380 nan 0.000 0.495 170 V N 1.121 121.103 119.914 0.113 0.000 2.495 170 V HA 0.430 4.550 4.120 0.001 0.000 0.298 170 V C 0.651 176.905 176.094 0.267 0.000 1.031 170 V CA -0.771 61.642 62.300 0.188 0.000 0.871 170 V CB 1.789 33.724 31.823 0.187 0.000 0.988 170 V HN 0.661 nan 8.190 nan 0.000 0.432 171 T N 2.844 117.511 114.554 0.187 0.000 2.928 171 T HA 0.834 5.185 4.350 0.001 0.000 0.284 171 T C -0.330 174.330 174.700 -0.067 0.000 1.008 171 T CA 0.012 62.158 62.100 0.076 0.000 1.057 171 T CB 1.583 70.458 68.868 0.012 0.000 1.018 171 T HN 1.201 nan 8.240 nan 0.000 0.493 172 A N 4.465 127.141 122.820 -0.240 0.000 2.449 172 A HA 0.811 5.132 4.320 0.001 0.000 0.302 172 A C -2.896 174.418 177.584 -0.449 0.000 1.048 172 A CA -1.958 49.736 52.037 -0.572 0.000 0.708 172 A CB 1.438 19.935 19.000 -0.838 0.000 1.274 172 A HN 0.738 nan 8.150 nan 0.000 0.410 173 P HA 0.345 nan 4.420 nan 0.000 0.272 173 P C -0.622 176.503 177.300 -0.293 0.000 1.230 173 P CA 0.007 62.846 63.100 -0.436 0.000 0.788 173 P CB 0.947 32.325 31.700 -0.536 0.000 0.949 174 V N 2.475 122.296 119.914 -0.154 0.000 2.656 174 V HA 0.264 4.385 4.120 0.001 0.000 0.307 174 V C -0.500 175.585 176.094 -0.015 0.000 1.051 174 V CA -0.717 61.548 62.300 -0.057 0.000 0.893 174 V CB 1.599 33.397 31.823 -0.042 0.000 0.999 174 V HN 0.472 nan 8.190 nan 0.000 0.426 175 Y N 2.985 123.220 120.300 -0.109 0.000 2.334 175 Y HA 0.573 5.123 4.550 0.001 0.000 0.328 175 Y C 0.593 176.358 175.900 -0.226 0.000 1.130 175 Y CA 0.040 58.053 58.100 -0.144 0.000 1.163 175 Y CB 1.757 40.139 38.460 -0.131 0.000 1.207 175 Y HN 0.671 nan 8.280 nan 0.000 0.471 176 S N 3.751 119.073 115.700 -0.630 0.000 2.437 176 S HA 0.254 4.724 4.470 0.001 0.000 0.305 176 S C -0.398 173.989 174.600 -0.355 0.000 1.109 176 S CA -0.532 57.434 58.200 -0.390 0.000 1.099 176 S CB 0.352 63.402 63.200 -0.250 0.000 1.004 176 S HN 0.906 nan 8.310 nan 0.000 0.475 177 H N 4.024 123.170 119.070 0.127 0.000 2.539 177 H HA 0.255 4.812 4.556 0.001 0.000 0.267 177 H C 1.032 176.459 175.328 0.165 0.000 0.982 177 H CA 0.151 56.343 56.048 0.240 0.000 1.146 177 H CB 0.221 30.145 29.762 0.270 0.000 1.382 177 H HN 0.384 nan 8.280 nan 0.000 0.577 178 L N 0.217 121.530 121.223 0.151 0.000 2.269 178 L HA 0.065 4.406 4.340 0.001 0.000 0.200 178 L C 2.006 178.939 176.870 0.104 0.000 1.069 178 L CA 1.091 55.995 54.840 0.108 0.000 0.804 178 L CB -0.620 41.479 42.059 0.066 0.000 0.987 178 L HN 0.425 nan 8.230 nan 0.000 0.468 179 I N -2.340 118.279 120.570 0.081 0.000 3.956 179 I HA 0.035 4.205 4.170 0.001 0.000 0.333 179 I C 0.554 176.858 176.117 0.311 0.000 1.302 179 I CA -0.487 60.899 61.300 0.145 0.000 1.122 179 I CB -0.785 37.233 38.000 0.029 0.000 1.013 179 I HN 0.434 nan 8.210 nan 0.000 0.405 180 Y N 1.940 122.152 120.300 -0.147 0.000 2.984 180 Y HA -0.272 4.279 4.550 0.001 0.000 0.193 180 Y C -1.307 174.410 175.900 -0.304 0.000 1.413 180 Y CA 0.548 58.527 58.100 -0.201 0.000 0.832 180 Y CB -1.986 36.601 38.460 0.213 0.000 1.314 180 Y HN 0.533 nan 8.280 nan 0.000 0.386 181 D N 1.443 121.401 120.400 -0.736 0.000 2.720 181 D HA 0.294 4.935 4.640 0.001 0.000 0.239 181 D C -0.802 175.166 176.300 -0.554 0.000 1.218 181 D CA -0.040 53.670 54.000 -0.484 0.000 0.748 181 D CB 1.909 42.548 40.800 -0.268 0.000 1.387 181 D HN 0.760 nan 8.370 nan 0.000 0.438 182 V N 0.939 120.714 119.914 -0.231 0.000 2.529 182 V HA 0.337 4.458 4.120 0.001 0.000 0.292 182 V C 0.810 176.812 176.094 -0.152 0.000 1.028 182 V CA -0.297 61.924 62.300 -0.132 0.000 1.074 182 V CB -0.054 31.754 31.823 -0.026 0.000 0.958 182 V HN 0.434 nan 8.190 nan 0.000 0.481 183 I N 9.189 129.669 120.570 -0.150 0.000 2.671 183 I HA 0.106 4.276 4.170 0.001 0.000 0.285 183 I C -0.525 175.539 176.117 -0.088 0.000 1.148 183 I CA -0.668 60.563 61.300 -0.114 0.000 1.386 183 I CB 0.431 38.374 38.000 -0.096 0.000 1.406 183 I HN 0.604 nan 8.210 nan 0.000 0.540 184 P HA -0.258 nan 4.420 nan 0.000 0.218 184 P C 0.285 177.551 177.300 -0.057 0.000 1.132 184 P CA 1.715 64.778 63.100 -0.061 0.000 0.968 184 P CB 0.103 31.773 31.700 -0.050 0.000 0.783 185 D N -2.152 118.217 120.400 -0.051 0.000 2.957 185 D HA 0.271 4.911 4.640 0.001 0.000 0.352 185 D C 0.806 177.079 176.300 -0.045 0.000 1.352 185 D CA 0.021 53.993 54.000 -0.046 0.000 0.831 185 D CB 0.064 40.843 40.800 -0.034 0.000 1.147 185 D HN 0.177 nan 8.370 nan 0.000 0.467 186 G N 0.542 109.308 108.800 -0.056 0.000 3.805 186 G HA2 0.047 4.007 3.960 0.001 0.000 0.290 186 G HA3 0.047 4.007 3.960 0.001 0.000 0.290 186 G C 0.160 175.023 174.900 -0.060 0.000 1.077 186 G CA -0.390 44.680 45.100 -0.051 0.000 0.852 186 G HN -0.038 nan 8.290 nan 0.000 0.531 187 D N 1.160 121.516 120.400 -0.074 0.000 2.455 187 D HA 0.166 4.806 4.640 0.001 0.000 0.241 187 D C 0.466 176.729 176.300 -0.061 0.000 1.138 187 D CA 0.688 54.630 54.000 -0.096 0.000 0.877 187 D CB 1.304 42.039 40.800 -0.109 0.000 1.187 187 D HN 0.050 nan 8.370 nan 0.000 0.451 188 K N 0.738 121.100 120.400 -0.064 0.000 2.130 188 K HA 0.355 4.676 4.320 0.001 0.000 0.268 188 K C -0.492 176.114 176.600 0.010 0.000 0.983 188 K CA -0.526 55.751 56.287 -0.016 0.000 0.893 188 K CB 1.110 33.611 32.500 0.002 0.000 1.066 188 K HN 0.336 nan 8.250 nan 0.000 0.450 189 T N 1.899 116.476 114.554 0.038 0.000 2.743 189 T HA 0.199 4.549 4.350 0.001 0.000 0.292 189 T C -0.236 174.522 174.700 0.097 0.000 0.972 189 T CA -0.682 61.458 62.100 0.066 0.000 0.967 189 T CB 0.978 69.875 68.868 0.048 0.000 0.926 189 T HN 0.149 nan 8.240 nan 0.000 0.459 190 V N 4.373 124.377 119.914 0.150 0.000 2.353 190 V HA 0.192 4.312 4.120 0.001 0.000 0.264 190 V C 0.497 176.652 176.094 0.103 0.000 1.049 190 V CA -0.657 61.734 62.300 0.152 0.000 0.896 190 V CB 1.119 33.085 31.823 0.238 0.000 1.025 190 V HN 0.714 nan 8.190 nan 0.000 0.475 191 V N 8.200 128.161 119.914 0.078 0.000 2.299 191 V HA 0.258 4.379 4.120 0.001 0.000 0.255 191 V C 0.786 176.912 176.094 0.053 0.000 1.100 191 V CA -0.377 61.958 62.300 0.059 0.000 0.938 191 V CB 0.081 31.935 31.823 0.051 0.000 1.139 191 V HN 1.186 nan 8.190 nan 0.000 0.490 192 Q N 5.680 125.507 119.800 0.046 0.000 2.374 192 Q HA -0.148 4.192 4.340 0.001 0.000 0.363 192 Q C -2.437 173.593 176.000 0.049 0.000 1.274 192 Q CA 0.603 56.431 55.803 0.040 0.000 1.135 192 Q CB -1.397 27.363 28.738 0.036 0.000 1.271 192 Q HN 0.588 nan 8.270 nan 0.000 0.304 193 P HA 0.178 nan 4.420 nan 0.000 0.280 193 P C -0.250 177.091 177.300 0.068 0.000 1.272 193 P CA -0.428 62.711 63.100 0.064 0.000 0.819 193 P CB 0.964 32.704 31.700 0.067 0.000 1.122 194 D N -0.255 120.195 120.400 0.084 0.000 2.162 194 D HA 0.114 4.754 4.640 0.001 0.000 0.205 194 D C 0.618 176.965 176.300 0.078 0.000 0.964 194 D CA 1.348 55.407 54.000 0.099 0.000 0.847 194 D CB 0.368 41.263 40.800 0.157 0.000 0.988 194 D HN 0.333 nan 8.370 nan 0.000 0.480 195 I N 1.318 121.918 120.570 0.051 0.000 2.582 195 I HA 0.178 4.349 4.170 0.001 0.000 0.292 195 I C -1.116 175.035 176.117 0.057 0.000 1.066 195 I CA -0.793 60.535 61.300 0.047 0.000 1.053 195 I CB 3.173 41.142 38.000 -0.052 0.000 1.241 195 I HN -0.177 nan 8.210 nan 0.000 0.421 196 L N 7.522 128.782 121.223 0.062 0.000 2.349 196 L HA 0.606 4.946 4.340 0.001 0.000 0.278 196 L C -0.897 176.011 176.870 0.062 0.000 0.996 196 L CA -0.456 54.419 54.840 0.058 0.000 0.825 196 L CB 1.494 43.570 42.059 0.028 0.000 1.243 196 L HN 0.476 nan 8.230 nan 0.000 0.412 197 I N 5.804 126.418 120.570 0.073 0.000 2.321 197 I HA 0.265 4.435 4.170 0.001 0.000 0.291 197 I C -0.519 175.645 176.117 0.079 0.000 0.998 197 I CA -0.580 60.763 61.300 0.071 0.000 1.227 197 I CB 1.812 39.851 38.000 0.065 0.000 1.368 197 I HN 0.422 nan 8.210 nan 0.000 0.466 198 L N 7.678 128.940 121.223 0.064 0.000 2.283 198 L HA 0.350 4.690 4.340 0.001 0.000 0.281 198 L C 0.035 176.928 176.870 0.038 0.000 1.033 198 L CA 0.058 54.934 54.840 0.060 0.000 0.848 198 L CB 0.642 42.721 42.059 0.033 0.000 1.226 198 L HN 0.551 nan 8.230 nan 0.000 0.429 199 E N 4.178 124.406 120.200 0.047 0.000 2.197 199 E HA 0.695 5.045 4.350 0.001 0.000 0.281 199 E C -0.654 175.961 176.600 0.025 0.000 0.995 199 E CA -0.276 56.142 56.400 0.030 0.000 0.808 199 E CB 1.397 31.118 29.700 0.035 0.000 1.093 199 E HN 0.760 nan 8.360 nan 0.000 0.394 200 G N 2.595 111.394 108.800 -0.000 0.000 2.368 200 G HA2 0.174 4.134 3.960 0.001 0.000 0.293 200 G HA3 0.174 4.134 3.960 0.001 0.000 0.293 200 G C -0.262 174.621 174.900 -0.029 0.000 1.467 200 G CA -0.713 44.389 45.100 0.003 0.000 0.804 200 G HN 0.439 nan 8.290 nan 0.000 0.535 201 L N 0.579 121.799 121.223 -0.004 0.000 2.109 201 L HA 0.089 4.430 4.340 0.001 0.000 0.207 201 L C 2.409 179.229 176.870 -0.083 0.000 1.086 201 L CA 1.874 56.699 54.840 -0.025 0.000 0.760 201 L CB -0.245 41.849 42.059 0.057 0.000 0.910 201 L HN 0.717 nan 8.230 nan 0.000 0.437 202 N N -0.824 117.771 118.700 -0.175 0.000 2.270 202 N HA -0.052 4.689 4.740 0.001 0.000 0.198 202 N C 1.437 176.860 175.510 -0.145 0.000 1.117 202 N CA 0.803 53.730 53.050 -0.205 0.000 0.845 202 N CB -0.764 37.456 38.487 -0.444 0.000 0.980 202 N HN 0.258 nan 8.380 nan 0.000 0.486 203 V N -2.694 117.152 119.914 -0.112 0.000 2.828 203 V HA -0.083 4.038 4.120 0.001 0.000 0.260 203 V C 1.407 177.477 176.094 -0.039 0.000 1.101 203 V CA 1.147 63.399 62.300 -0.080 0.000 1.123 203 V CB -0.649 31.143 31.823 -0.052 0.000 0.704 203 V HN 0.132 nan 8.190 nan 0.000 0.493 204 L N -0.358 120.852 121.223 -0.022 0.000 2.640 204 L HA 0.396 4.737 4.340 0.001 0.000 0.230 204 L C 1.295 178.140 176.870 -0.040 0.000 1.123 204 L CA 0.373 55.208 54.840 -0.008 0.000 0.900 204 L CB -0.655 41.430 42.059 0.044 0.000 1.146 204 L HN 0.520 nan 8.230 nan 0.000 0.484 205 Q N -0.618 119.160 119.800 -0.036 0.000 2.443 205 Q HA 0.396 4.737 4.340 0.001 0.000 0.232 205 Q C 0.335 176.261 176.000 -0.123 0.000 1.026 205 Q CA -0.033 55.746 55.803 -0.039 0.000 0.924 205 Q CB 1.094 29.896 28.738 0.107 0.000 1.256 205 Q HN 0.298 nan 8.270 nan 0.000 0.519 206 S N -0.746 114.780 115.700 -0.291 0.000 2.810 206 S HA 0.751 5.221 4.470 0.001 0.000 0.315 206 S C 0.129 174.379 174.600 -0.583 0.000 1.138 206 S CA -0.751 56.963 58.200 -0.809 0.000 0.889 206 S CB 0.853 63.144 63.200 -1.514 0.000 1.236 206 S HN 0.732 nan 8.310 nan 0.000 0.548 210 Y N 1.490 121.665 120.300 -0.210 0.000 2.495 210 Y HA 0.283 4.834 4.550 0.001 0.000 0.362 210 Y C -1.822 173.806 175.900 -0.453 0.000 0.956 210 Y CA -1.775 56.094 58.100 -0.386 0.000 1.127 210 Y CB 1.026 39.380 38.460 -0.177 0.000 1.173 210 Y HN -0.122 nan 8.280 nan 0.000 0.639 211 P HA -0.171 nan 4.420 nan 0.000 0.221 211 P C 0.895 178.161 177.300 -0.058 0.000 1.150 211 P CA 1.682 64.719 63.100 -0.105 0.000 0.800 211 P CB 0.151 31.830 31.700 -0.035 0.000 0.787 212 H N -1.587 117.543 119.070 0.100 0.000 2.491 212 H HA 0.127 4.684 4.556 0.001 0.000 0.290 212 H C 0.316 175.727 175.328 0.138 0.000 1.050 212 H CA 0.953 57.062 56.048 0.101 0.000 1.309 212 H CB -0.583 29.233 29.762 0.089 0.000 1.392 212 H HN 0.037 nan 8.280 nan 0.000 0.554 213 D N 0.461 120.877 120.400 0.027 0.000 2.934 213 D HA 0.138 4.778 4.640 0.001 0.000 0.249 213 D C -2.966 173.493 176.300 0.266 0.000 1.293 213 D CA -1.916 52.213 54.000 0.216 0.000 0.812 213 D CB 0.789 41.791 40.800 0.337 0.000 1.439 213 D HN 0.090 nan 8.370 nan 0.000 0.555 214 P HA 0.103 nan 4.420 nan 0.000 0.268 214 P C -0.373 176.963 177.300 0.059 0.000 1.208 214 P CA 0.233 63.336 63.100 0.006 0.000 0.777 214 P CB 0.512 32.165 31.700 -0.078 0.000 0.875 215 H N -0.050 118.914 119.070 -0.175 0.000 2.806 215 H HA 0.376 4.933 4.556 0.001 0.000 0.367 215 H C -0.538 174.643 175.328 -0.244 0.000 1.136 215 H CA -0.674 55.249 56.048 -0.208 0.000 1.178 215 H CB 1.001 30.531 29.762 -0.386 0.000 1.718 215 H HN 0.406 nan 8.280 nan 0.000 0.540 216 H N 1.189 120.284 119.070 0.041 0.000 2.586 216 H HA 0.357 4.913 4.556 0.001 0.000 0.273 216 H C -0.187 174.847 175.328 -0.490 0.000 0.997 216 H CA 0.114 56.097 56.048 -0.108 0.000 1.177 216 H CB 0.918 30.642 29.762 -0.063 0.000 1.471 216 H HN 0.212 nan 8.280 nan 0.000 0.538 217 V N 1.830 121.525 119.914 -0.365 0.000 2.525 217 V HA 0.249 4.369 4.120 0.001 0.000 0.299 217 V C -0.830 175.062 176.094 -0.337 0.000 1.034 217 V CA -0.927 61.049 62.300 -0.540 0.000 0.863 217 V CB 1.014 32.760 31.823 -0.129 0.000 0.999 217 V HN 0.126 nan 8.190 nan 0.000 0.423 218 F N 2.647 122.660 119.950 0.104 0.000 2.411 218 F HA 0.474 5.002 4.527 0.001 0.000 0.324 218 F C 1.522 177.380 175.800 0.097 0.000 1.086 218 F CA -0.837 57.223 58.000 0.101 0.000 1.028 218 F CB 0.648 39.685 39.000 0.061 0.000 1.284 218 F HN 0.181 nan 8.300 nan 0.000 0.501 219 V N 0.533 120.586 119.914 0.232 0.000 2.324 219 V HA -0.320 3.801 4.120 0.001 0.000 0.250 219 V C 2.281 178.460 176.094 0.142 0.000 1.060 219 V CA 2.493 64.876 62.300 0.139 0.000 1.042 219 V CB -1.029 30.794 31.823 -0.001 0.000 0.650 219 V HN 0.945 nan 8.190 nan 0.000 0.450 220 S N -0.423 115.346 115.700 0.115 0.000 2.419 220 S HA -0.239 4.232 4.470 0.001 0.000 0.233 220 S C 1.549 176.129 174.600 -0.034 0.000 1.016 220 S CA 1.504 59.728 58.200 0.039 0.000 0.974 220 S CB -0.531 62.695 63.200 0.044 0.000 0.786 220 S HN 0.625 nan 8.310 nan 0.000 0.492 221 D N 0.602 120.947 120.400 -0.091 0.000 2.350 221 D HA 0.040 4.680 4.640 0.001 0.000 0.216 221 D C 0.346 176.249 176.300 -0.663 0.000 0.968 221 D CA 0.816 54.571 54.000 -0.409 0.000 0.894 221 D CB -0.168 40.256 40.800 -0.627 0.000 0.909 221 D HN 0.585 nan 8.370 nan 0.000 0.520 222 F N -0.224 119.677 119.950 -0.081 0.000 2.724 222 F HA 0.173 4.700 4.527 0.000 0.000 0.310 222 F C 0.270 175.995 175.800 -0.125 0.000 1.107 222 F CA -0.318 57.619 58.000 -0.105 0.000 1.218 222 F CB 0.928 39.858 39.000 -0.116 0.000 1.042 222 F HN -0.350 nan 8.300 nan 0.000 0.540 223 V N 0.881 120.787 119.914 -0.012 0.000 2.459 223 V HA 0.170 4.291 4.120 0.001 0.000 0.295 223 V C 0.376 176.377 176.094 -0.155 0.000 1.029 223 V CA -0.644 61.611 62.300 -0.076 0.000 0.874 223 V CB 1.825 33.619 31.823 -0.048 0.000 0.985 223 V HN 0.150 nan 8.190 nan 0.000 0.438 224 D N 2.523 122.751 120.400 -0.288 0.000 2.137 224 D HA 0.028 4.669 4.640 0.001 0.000 0.202 224 D C -0.046 176.146 176.300 -0.179 0.000 0.970 224 D CA 1.673 55.431 54.000 -0.402 0.000 0.837 224 D CB 0.559 40.630 40.800 -1.215 0.000 0.981 224 D HN 0.396 nan 8.370 nan 0.000 0.475 225 F N 0.866 120.644 119.950 -0.288 0.000 2.557 225 F HA 0.201 4.728 4.527 0.001 0.000 0.316 225 F C -0.865 174.886 175.800 -0.081 0.000 1.141 225 F CA -0.743 57.171 58.000 -0.143 0.000 0.922 225 F CB 1.736 40.706 39.000 -0.051 0.000 1.194 225 F HN -0.294 nan 8.300 nan 0.000 0.443 226 S N 5.951 121.479 115.700 -0.287 0.000 2.503 226 S HA 0.821 5.291 4.470 0.001 0.000 0.301 226 S C -0.982 173.577 174.600 -0.067 0.000 1.087 226 S CA -0.683 57.467 58.200 -0.085 0.000 1.042 226 S CB 1.858 65.007 63.200 -0.084 0.000 1.043 226 S HN 0.535 nan 8.310 nan 0.000 0.489 227 I N 2.865 123.495 120.570 0.100 0.000 2.436 227 I HA 0.371 4.542 4.170 0.001 0.000 0.289 227 I C -1.208 174.989 176.117 0.132 0.000 1.010 227 I CA -0.764 60.623 61.300 0.145 0.000 1.098 227 I CB 1.602 39.722 38.000 0.201 0.000 1.266 227 I HN 0.812 nan 8.210 nan 0.000 0.434 228 Y N 6.599 126.904 120.300 0.008 0.000 2.335 228 Y HA 0.592 5.142 4.550 0.001 0.000 0.338 228 Y C -0.714 175.191 175.900 0.009 0.000 0.977 228 Y CA -0.834 57.266 58.100 0.001 0.000 1.114 228 Y CB 1.392 39.837 38.460 -0.025 0.000 1.182 228 Y HN 0.238 nan 8.280 nan 0.000 0.463 229 V N 6.424 126.235 119.914 -0.171 0.000 2.334 229 V HA 0.170 4.290 4.120 0.001 0.000 0.267 229 V C -0.286 175.826 176.094 0.031 0.000 1.040 229 V CA -0.500 61.790 62.300 -0.017 0.000 0.866 229 V CB 0.658 32.465 31.823 -0.026 0.000 1.019 229 V HN 0.730 nan 8.190 nan 0.000 0.468 230 D N 3.220 123.774 120.400 0.257 0.000 2.332 230 D HA 0.849 5.489 4.640 0.001 0.000 0.252 230 D C -0.188 176.231 176.300 0.198 0.000 1.050 230 D CA 0.197 54.383 54.000 0.309 0.000 0.970 230 D CB 1.981 42.923 40.800 0.236 0.000 1.141 230 D HN 0.880 nan 8.370 nan 0.000 0.485 231 A N 1.530 124.440 122.820 0.150 0.000 2.585 231 A HA 0.479 4.800 4.320 0.001 0.000 0.299 231 A C -2.834 174.740 177.584 -0.017 0.000 1.047 231 A CA -1.140 50.925 52.037 0.047 0.000 0.723 231 A CB 0.589 19.615 19.000 0.044 0.000 1.275 231 A HN 0.411 nan 8.150 nan 0.000 0.408 232 P HA 0.128 nan 4.420 nan 0.000 0.266 232 P C 0.854 178.118 177.300 -0.061 0.000 1.195 232 P CA 0.119 63.185 63.100 -0.056 0.000 0.768 232 P CB 0.536 32.188 31.700 -0.080 0.000 0.838 233 E N 2.509 122.737 120.200 0.047 0.000 2.068 233 E HA -0.297 4.053 4.350 0.001 0.000 0.207 233 E C 1.219 177.838 176.600 0.032 0.000 1.032 233 E CA 2.152 58.649 56.400 0.161 0.000 0.839 233 E CB -0.735 29.156 29.700 0.318 0.000 0.758 233 E HN 0.639 nan 8.360 nan 0.000 0.457 234 D N 1.032 121.406 120.400 -0.043 0.000 2.203 234 D HA -0.194 4.447 4.640 0.001 0.000 0.199 234 D C 1.869 177.985 176.300 -0.306 0.000 0.997 234 D CA 0.858 54.772 54.000 -0.143 0.000 0.863 234 D CB -0.424 40.303 40.800 -0.121 0.000 0.928 234 D HN 0.103 nan 8.370 nan 0.000 0.458 235 L N 0.115 121.091 121.223 -0.411 0.000 2.023 235 L HA 0.053 4.393 4.340 0.001 0.000 0.205 235 L C 2.496 178.790 176.870 -0.960 0.000 1.073 235 L CA 1.075 55.440 54.840 -0.793 0.000 0.745 235 L CB -0.893 40.586 42.059 -0.968 0.000 0.900 235 L HN 0.109 nan 8.230 nan 0.000 0.435 236 L N -0.878 119.985 121.223 -0.601 0.000 2.043 236 L HA -0.312 4.029 4.340 0.001 0.000 0.212 236 L C 2.580 179.078 176.870 -0.620 0.000 1.075 236 L CA 1.655 56.299 54.840 -0.328 0.000 0.752 236 L CB -0.641 41.443 42.059 0.042 0.000 0.891 236 L HN 0.490 nan 8.230 nan 0.000 0.432 237 Q N -0.051 119.251 119.800 -0.830 0.000 2.030 237 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 237 Q C 2.051 177.672 176.000 -0.631 0.000 0.986 237 Q CA 2.643 57.700 55.803 -1.243 0.000 0.843 237 Q CB -0.057 28.205 28.738 -0.794 0.000 0.904 237 Q HN 0.466 nan 8.270 nan 0.000 0.420 238 T N 0.106 114.404 114.554 -0.427 0.000 2.684 238 T HA -0.173 4.177 4.350 0.001 0.000 0.267 238 T C 1.229 175.932 174.700 0.006 0.000 1.036 238 T CA 1.381 63.354 62.100 -0.213 0.000 1.148 238 T CB -0.415 68.312 68.868 -0.235 0.000 0.863 238 T HN 0.435 nan 8.240 nan 0.000 0.436 239 W N 0.763 122.001 121.300 -0.104 0.000 2.363 239 W HA 0.025 4.686 4.660 0.001 0.000 0.296 239 W C 2.198 178.710 176.519 -0.012 0.000 1.212 239 W CA -0.347 56.985 57.345 -0.021 0.000 1.260 239 W CB -1.535 27.929 29.460 0.007 0.000 1.131 239 W HN 0.343 nan 8.180 nan 0.000 0.530 240 Y N 0.549 120.859 120.300 0.017 0.000 2.114 240 Y HA -0.242 4.308 4.550 0.001 0.000 0.284 240 Y C 2.467 178.393 175.900 0.043 0.000 1.143 240 Y CA 2.310 60.409 58.100 -0.001 0.000 1.135 240 Y CB -0.810 37.539 38.460 -0.183 0.000 0.980 240 Y HN -0.220 nan 8.280 nan 0.000 0.499 241 I N 0.710 121.372 120.570 0.154 0.000 2.118 241 I HA -0.436 3.734 4.170 0.001 0.000 0.241 241 I C 2.605 178.787 176.117 0.107 0.000 1.070 241 I CA 2.033 63.392 61.300 0.099 0.000 1.327 241 I CB -0.692 37.323 38.000 0.024 0.000 1.034 241 I HN 0.453 nan 8.210 nan 0.000 0.405 242 N N 0.939 119.708 118.700 0.115 0.000 2.104 242 N HA -0.266 4.474 4.740 0.001 0.000 0.190 242 N C 2.140 177.731 175.510 0.136 0.000 1.024 242 N CA 1.480 54.611 53.050 0.136 0.000 0.853 242 N CB -0.049 38.537 38.487 0.165 0.000 1.008 242 N HN 0.287 nan 8.380 nan 0.000 0.424 243 R N -0.224 120.317 120.500 0.068 0.000 2.083 243 R HA -0.177 4.164 4.340 0.001 0.000 0.237 243 R C 2.302 178.643 176.300 0.069 0.000 1.137 243 R CA 1.488 57.585 56.100 -0.004 0.000 0.951 243 R CB -0.582 29.577 30.300 -0.234 0.000 0.851 243 R HN 0.243 nan 8.270 nan 0.000 0.434 244 F N 1.069 120.903 119.950 -0.193 0.000 2.043 244 F HA -0.291 4.237 4.527 0.001 0.000 0.297 244 F C 1.972 177.738 175.800 -0.057 0.000 1.121 244 F CA 1.536 59.422 58.000 -0.190 0.000 1.199 244 F CB -0.498 38.338 39.000 -0.274 0.000 0.968 244 F HN 0.052 nan 8.300 nan 0.000 0.478 245 L N 0.924 122.298 121.223 0.252 0.000 1.997 245 L HA -0.309 4.032 4.340 0.001 0.000 0.216 245 L C 2.396 179.331 176.870 0.108 0.000 1.074 245 L CA 1.972 56.920 54.840 0.179 0.000 0.763 245 L CB -0.962 41.199 42.059 0.169 0.000 0.890 245 L HN 0.133 nan 8.230 nan 0.000 0.434 246 K N -1.694 118.804 120.400 0.163 0.000 2.062 246 K HA -0.063 4.257 4.320 0.001 0.000 0.205 246 K C 2.032 178.649 176.600 0.027 0.000 1.051 246 K CA 1.367 57.738 56.287 0.140 0.000 0.941 246 K CB -0.377 32.246 32.500 0.205 0.000 0.719 246 K HN 0.253 nan 8.250 nan 0.000 0.440 247 F N 0.443 120.308 119.950 -0.142 0.000 2.656 247 F HA 0.205 4.732 4.527 0.001 0.000 0.291 247 F C 0.724 176.189 175.800 -0.559 0.000 1.122 247 F CA -0.471 57.389 58.000 -0.233 0.000 1.427 247 F CB -0.119 38.775 39.000 -0.178 0.000 1.125 247 F HN -0.140 nan 8.300 nan 0.000 0.583 248 R N 1.401 121.520 120.500 -0.636 0.000 3.722 248 R HA -0.295 4.046 4.340 0.001 0.000 0.284 248 R C -0.184 175.687 176.300 -0.715 0.000 1.165 248 R CA 0.732 56.170 56.100 -1.104 0.000 0.779 248 R CB -2.441 27.188 30.300 -1.118 0.000 1.179 248 R HN 0.388 nan 8.270 nan 0.000 0.491 249 E N -1.454 118.455 120.200 -0.485 0.000 2.240 249 E HA -0.204 4.147 4.350 0.001 0.000 0.194 249 E C 1.039 177.409 176.600 -0.383 0.000 1.385 249 E CA 1.624 57.891 56.400 -0.222 0.000 0.686 249 E CB -1.345 28.279 29.700 -0.127 0.000 1.125 249 E HN 0.781 nan 8.360 nan 0.000 0.359 250 G N -0.210 108.249 108.800 -0.568 0.000 2.196 250 G HA2 -0.396 3.565 3.960 0.001 0.000 0.268 250 G HA3 -0.396 3.565 3.960 0.001 0.000 0.268 250 G C 1.285 175.922 174.900 -0.437 0.000 0.975 250 G CA 1.200 45.766 45.100 -0.889 0.000 0.648 250 G HN 1.301 nan 8.290 nan 0.000 0.538 251 A N -0.256 122.354 122.820 -0.350 0.000 1.915 251 A HA 0.106 4.427 4.320 0.001 0.000 0.220 251 A C 1.880 179.364 177.584 -0.165 0.000 1.198 251 A CA 2.046 53.926 52.037 -0.261 0.000 0.647 251 A CB -0.501 18.211 19.000 -0.480 0.000 0.825 251 A HN 0.752 nan 8.150 nan 0.000 0.456 252 F N -0.040 119.863 119.950 -0.079 0.000 2.190 252 F HA 0.060 4.588 4.527 0.001 0.000 0.269 252 F C 1.428 177.205 175.800 -0.040 0.000 1.338 252 F CA 0.371 58.330 58.000 -0.067 0.000 1.081 252 F CB -1.181 37.755 39.000 -0.106 0.000 1.089 252 F HN -0.058 nan 8.300 nan 0.000 0.549 253 T N 2.432 117.101 114.554 0.193 0.000 2.294 253 T HA -0.071 4.280 4.350 0.001 0.000 0.201 253 T C -0.616 174.141 174.700 0.094 0.000 1.146 253 T CA 0.822 62.980 62.100 0.098 0.000 2.461 253 T CB -1.054 67.853 68.868 0.066 0.000 0.998 253 T HN 0.527 nan 8.240 nan 0.000 0.396 254 D N 2.931 123.394 120.400 0.105 0.000 2.516 254 D HA -0.023 4.617 4.640 0.001 0.000 0.168 254 D C -2.268 174.105 176.300 0.121 0.000 0.803 254 D CA -0.871 53.200 54.000 0.117 0.000 1.087 254 D CB 0.516 41.413 40.800 0.160 0.000 4.924 254 D HN 0.139 nan 8.370 nan 0.000 0.512 255 P HA -0.125 nan 4.420 nan 0.000 0.219 255 P C -0.104 177.262 177.300 0.111 0.000 1.159 255 P CA 1.753 64.897 63.100 0.072 0.000 0.944 255 P CB 0.042 31.762 31.700 0.033 0.000 0.792 256 D N -2.445 118.009 120.400 0.090 0.000 2.584 256 D HA 0.130 4.771 4.640 0.001 0.000 0.238 256 D C -0.454 175.919 176.300 0.123 0.000 1.302 256 D CA -0.369 53.686 54.000 0.092 0.000 0.884 256 D CB 0.121 40.708 40.800 -0.355 0.000 1.456 256 D HN 0.073 nan 8.370 nan 0.000 0.528 257 S N 0.230 116.064 115.700 0.223 0.000 2.564 257 S HA -0.129 4.342 4.470 0.001 0.000 0.263 257 S C 1.244 175.976 174.600 0.219 0.000 1.378 257 S CA -0.427 57.941 58.200 0.281 0.000 0.996 257 S CB 0.669 64.063 63.200 0.322 0.000 0.881 257 S HN 0.495 nan 8.310 nan 0.000 0.555 258 Y N 0.672 121.016 120.300 0.072 0.000 2.315 258 Y HA -0.078 4.473 4.550 0.001 0.000 0.288 258 Y C 1.010 176.680 175.900 -0.383 0.000 1.154 258 Y CA 1.335 59.298 58.100 -0.228 0.000 1.229 258 Y CB -0.175 38.027 38.460 -0.429 0.000 0.980 258 Y HN 0.612 nan 8.280 nan 0.000 0.540 259 F N -0.294 119.809 119.950 0.254 0.000 2.837 259 F HA 0.125 4.652 4.527 0.001 0.000 0.298 259 F C 2.038 177.749 175.800 -0.149 0.000 1.161 259 F CA -0.137 57.804 58.000 -0.097 0.000 1.353 259 F CB -0.328 38.675 39.000 0.004 0.000 0.951 259 F HN 0.217 nan 8.300 nan 0.000 0.508 260 H N 0.977 120.038 119.070 -0.014 0.000 2.426 260 H HA -0.199 4.357 4.556 0.001 0.000 0.298 260 H C 1.304 176.630 175.328 -0.004 0.000 1.107 260 H CA 2.080 58.129 56.048 0.002 0.000 1.298 260 H CB -0.170 29.590 29.762 -0.004 0.000 1.377 260 H HN 0.416 nan 8.280 nan 0.000 0.519 261 N N -0.389 118.302 118.700 -0.014 0.000 2.272 261 N HA -0.170 4.570 4.740 0.001 0.000 0.185 261 N C 1.437 176.956 175.510 0.015 0.000 1.014 261 N CA 0.854 53.884 53.050 -0.034 0.000 0.870 261 N CB -0.199 38.283 38.487 -0.008 0.000 0.975 261 N HN 0.506 nan 8.380 nan 0.000 0.433 262 Y N 0.697 121.004 120.300 0.013 0.000 2.497 262 Y HA -0.140 4.411 4.550 0.001 0.000 0.292 262 Y C 2.483 178.318 175.900 -0.109 0.000 1.137 262 Y CA -0.051 58.036 58.100 -0.022 0.000 1.285 262 Y CB 0.012 38.410 38.460 -0.103 0.000 0.991 262 Y HN 0.163 nan 8.280 nan 0.000 0.556 263 A N 1.591 124.401 122.820 -0.017 0.000 1.865 263 A HA -0.264 4.057 4.320 0.001 0.000 0.217 263 A C 2.137 179.795 177.584 0.122 0.000 1.191 263 A CA 2.076 54.159 52.037 0.077 0.000 0.623 263 A CB -0.558 18.451 19.000 0.014 0.000 0.826 263 A HN 0.517 nan 8.150 nan 0.000 0.444 264 K N -0.005 120.419 120.400 0.040 0.000 2.281 264 K HA 0.012 4.333 4.320 0.001 0.000 0.203 264 K C 0.180 176.837 176.600 0.096 0.000 1.046 264 K CA 0.381 56.706 56.287 0.063 0.000 0.938 264 K CB -0.814 31.714 32.500 0.045 0.000 0.737 264 K HN 0.432 nan 8.250 nan 0.000 0.458 265 L N 3.353 124.653 121.223 0.128 0.000 2.559 265 L HA -0.036 4.304 4.340 0.001 0.000 0.282 265 L C 0.872 177.812 176.870 0.117 0.000 1.232 265 L CA -0.056 54.865 54.840 0.135 0.000 0.885 265 L CB 0.108 42.274 42.059 0.177 0.000 1.131 265 L HN 0.292 nan 8.230 nan 0.000 0.498 266 T N -0.715 113.896 114.554 0.095 0.000 2.874 266 T HA 0.172 4.523 4.350 0.001 0.000 0.281 266 T C 0.938 175.688 174.700 0.084 0.000 0.994 266 T CA -0.788 61.359 62.100 0.079 0.000 1.015 266 T CB 1.577 70.480 68.868 0.059 0.000 1.028 266 T HN 0.687 nan 8.240 nan 0.000 0.523 267 K N 0.634 121.079 120.400 0.075 0.000 2.015 267 K HA -0.312 4.009 4.320 0.001 0.000 0.216 267 K C 2.140 178.778 176.600 0.063 0.000 1.052 267 K CA 2.396 58.728 56.287 0.075 0.000 0.937 267 K CB -0.469 32.066 32.500 0.058 0.000 0.719 267 K HN 0.803 nan 8.250 nan 0.000 0.446 268 E N 0.731 120.958 120.200 0.046 0.000 2.097 268 E HA -0.238 4.112 4.350 0.001 0.000 0.196 268 E C 1.654 178.273 176.600 0.031 0.000 1.000 268 E CA 2.217 58.636 56.400 0.032 0.000 0.804 268 E CB -0.098 29.618 29.700 0.026 0.000 0.740 268 E HN 0.550 nan 8.360 nan 0.000 0.454 269 E N -0.102 120.126 120.200 0.046 0.000 2.072 269 E HA -0.125 4.225 4.350 0.001 0.000 0.191 269 E C 2.133 178.761 176.600 0.047 0.000 0.985 269 E CA 0.880 57.310 56.400 0.049 0.000 0.801 269 E CB -0.263 29.481 29.700 0.073 0.000 0.750 269 E HN 0.432 nan 8.360 nan 0.000 0.452 270 A N 1.913 124.787 122.820 0.090 0.000 1.865 270 A HA -0.210 4.111 4.320 0.001 0.000 0.217 270 A C 2.322 179.910 177.584 0.006 0.000 1.191 270 A CA 1.693 53.824 52.037 0.157 0.000 0.623 270 A CB -0.873 18.267 19.000 0.233 0.000 0.826 270 A HN 0.433 nan 8.150 nan 0.000 0.444 271 I N -1.751 118.824 120.570 0.009 0.000 2.493 271 I HA -0.150 4.020 4.170 0.001 0.000 0.254 271 I C 2.114 178.168 176.117 -0.105 0.000 1.160 271 I CA 2.269 63.538 61.300 -0.053 0.000 1.445 271 I CB -0.206 37.791 38.000 -0.005 0.000 1.086 271 I HN 0.314 nan 8.210 nan 0.000 0.433 272 K N 0.882 121.241 120.400 -0.069 0.000 2.057 272 K HA -0.150 4.170 4.320 0.001 0.000 0.207 272 K C 1.934 178.465 176.600 -0.115 0.000 1.049 272 K CA 2.327 58.576 56.287 -0.063 0.000 0.931 272 K CB -0.174 32.312 32.500 -0.024 0.000 0.714 272 K HN 0.438 nan 8.250 nan 0.000 0.440 273 T N 1.182 115.626 114.554 -0.182 0.000 2.737 273 T HA 0.020 4.371 4.350 0.001 0.000 0.265 273 T C 1.095 175.492 174.700 -0.505 0.000 1.038 273 T CA 0.764 62.693 62.100 -0.285 0.000 1.144 273 T CB -0.339 68.328 68.868 -0.336 0.000 0.866 273 T HN 0.435 nan 8.240 nan 0.000 0.434 277 L N 0.930 122.162 121.223 0.015 0.000 2.046 277 L HA -0.022 4.319 4.340 0.001 0.000 0.208 277 L C 2.374 179.269 176.870 0.042 0.000 1.077 277 L CA 1.719 56.603 54.840 0.073 0.000 0.747 277 L CB -0.315 41.825 42.059 0.136 0.000 0.896 277 L HN 0.497 nan 8.230 nan 0.000 0.432 278 W N 1.637 122.811 121.300 -0.211 0.000 2.352 278 W HA -0.221 4.439 4.660 0.001 0.000 0.322 278 W C 2.340 178.806 176.519 -0.089 0.000 1.208 278 W CA 1.390 58.505 57.345 -0.382 0.000 1.286 278 W CB -0.223 28.981 29.460 -0.427 0.000 1.167 278 W HN 0.024 nan 8.180 nan 0.000 0.469 279 K N 0.229 120.607 120.400 -0.037 0.000 2.160 279 K HA -0.223 4.097 4.320 0.001 0.000 0.206 279 K C 1.717 178.267 176.600 -0.084 0.000 1.047 279 K CA 1.959 58.164 56.287 -0.137 0.000 0.930 279 K CB -0.228 32.228 32.500 -0.073 0.000 0.720 279 K HN 0.382 nan 8.250 nan 0.000 0.450 280 E N -0.856 119.320 120.200 -0.039 0.000 2.447 280 E HA 0.105 4.456 4.350 0.001 0.000 0.204 280 E C 1.503 178.120 176.600 0.027 0.000 0.977 280 E CA 0.060 56.462 56.400 0.004 0.000 0.950 280 E CB 0.601 30.308 29.700 0.012 0.000 0.975 280 E HN 0.167 nan 8.360 nan 0.000 0.496 281 I N -0.483 120.094 120.570 0.011 0.000 4.021 281 I HA 0.056 4.226 4.170 0.001 0.000 0.245 281 I C 1.214 177.385 176.117 0.089 0.000 1.093 281 I CA 0.108 61.467 61.300 0.098 0.000 1.702 281 I CB -0.808 37.266 38.000 0.122 0.000 1.597 281 I HN -0.093 nan 8.210 nan 0.000 0.443 282 N N 0.981 119.647 118.700 -0.058 0.000 2.149 282 N HA -0.246 4.494 4.740 0.001 0.000 0.188 282 N C 1.544 176.606 175.510 -0.747 0.000 1.019 282 N CA 1.574 54.463 53.050 -0.268 0.000 0.857 282 N CB -0.312 38.043 38.487 -0.220 0.000 0.997 282 N HN 0.465 nan 8.380 nan 0.000 0.426 283 W N 1.244 121.756 121.300 -1.314 0.000 2.374 283 W HA -0.000 4.661 4.660 0.001 0.000 0.288 283 W C 1.156 177.286 176.519 -0.648 0.000 1.218 283 W CA 0.970 57.440 57.345 -1.459 0.000 1.245 283 W CB -0.123 28.499 29.460 -1.396 0.000 1.126 283 W HN 0.018 nan 8.180 nan 0.000 0.545 284 L N 0.403 121.376 121.223 -0.417 0.000 2.270 284 L HA -0.091 4.249 4.340 0.001 0.000 0.210 284 L C 2.342 178.959 176.870 -0.422 0.000 1.104 284 L CA 1.043 55.654 54.840 -0.382 0.000 0.804 284 L CB -1.083 40.947 42.059 -0.050 0.000 0.937 284 L HN 0.003 nan 8.230 nan 0.000 0.450 285 N N 1.007 119.427 118.700 -0.467 0.000 2.084 285 N HA -0.199 4.542 4.740 0.001 0.000 0.190 285 N C 1.788 176.990 175.510 -0.513 0.000 1.030 285 N CA 1.429 54.044 53.050 -0.724 0.000 0.849 285 N CB -0.097 37.822 38.487 -0.946 0.000 1.012 285 N HN 0.227 nan 8.380 nan 0.000 0.423 286 L N 1.214 122.143 121.223 -0.490 0.000 1.948 286 L HA -0.101 4.240 4.340 0.001 0.000 0.212 286 L C 2.078 178.697 176.870 -0.417 0.000 1.074 286 L CA 1.800 56.416 54.840 -0.374 0.000 0.753 286 L CB -0.797 41.051 42.059 -0.352 0.000 0.888 286 L HN -0.051 nan 8.230 nan 0.000 0.432 287 K N -0.126 119.871 120.400 -0.671 0.000 2.144 287 K HA -0.284 4.036 4.320 0.001 0.000 0.209 287 K C 2.064 178.428 176.600 -0.393 0.000 1.047 287 K CA 2.435 58.336 56.287 -0.643 0.000 0.927 287 K CB -0.382 31.473 32.500 -1.075 0.000 0.716 287 K HN 0.836 nan 8.250 nan 0.000 0.454 288 Q N -1.916 117.672 119.800 -0.354 0.000 2.280 288 Q HA 0.128 4.469 4.340 0.001 0.000 0.228 288 Q C 0.961 176.838 176.000 -0.205 0.000 0.857 288 Q CA 0.102 55.761 55.803 -0.240 0.000 0.939 288 Q CB 0.482 29.102 28.738 -0.196 0.000 1.114 288 Q HN 0.017 nan 8.270 nan 0.000 0.514 289 N N -0.144 118.412 118.700 -0.239 0.000 2.382 289 N HA 0.270 5.010 4.740 0.001 0.000 0.200 289 N C 1.181 176.607 175.510 -0.140 0.000 1.122 289 N CA 0.441 53.371 53.050 -0.201 0.000 0.870 289 N CB 0.695 39.016 38.487 -0.276 0.000 1.176 289 N HN 0.209 nan 8.380 nan 0.000 0.474 290 I N -0.021 120.468 120.570 -0.134 0.000 3.098 290 I HA -0.006 4.164 4.170 0.001 0.000 0.241 290 I C 1.922 178.075 176.117 0.059 0.000 1.081 290 I CA 0.064 61.350 61.300 -0.022 0.000 1.487 290 I CB -0.132 37.854 38.000 -0.023 0.000 1.366 290 I HN -0.108 nan 8.210 nan 0.000 0.463 291 L N 2.388 123.616 121.223 0.007 0.000 2.034 291 L HA -0.179 4.162 4.340 0.001 0.000 0.217 291 L C -0.690 176.109 176.870 -0.118 0.000 1.077 291 L CA 2.581 57.407 54.840 -0.023 0.000 0.769 291 L CB -1.656 40.348 42.059 -0.092 0.000 0.890 291 L HN 0.105 nan 8.230 nan 0.000 0.435 292 P HA -0.123 nan 4.420 nan 0.000 0.221 292 P C 1.400 178.627 177.300 -0.121 0.000 1.145 292 P CA 1.819 64.846 63.100 -0.122 0.000 0.795 292 P CB -0.399 31.231 31.700 -0.116 0.000 0.775 293 T N -4.274 110.223 114.554 -0.094 0.000 3.100 293 T HA 0.071 4.421 4.350 0.001 0.000 0.253 293 T C 1.819 176.439 174.700 -0.134 0.000 1.118 293 T CA -0.115 61.941 62.100 -0.073 0.000 1.058 293 T CB -0.437 68.431 68.868 -0.001 0.000 0.953 293 T HN -0.023 nan 8.240 nan 0.000 0.515 294 R N 1.299 121.571 120.500 -0.381 0.000 2.112 294 R HA -0.163 4.177 4.340 0.001 0.000 0.242 294 R C 1.718 177.811 176.300 -0.345 0.000 1.137 294 R CA 2.070 57.676 56.100 -0.823 0.000 0.944 294 R CB -0.278 29.331 30.300 -1.150 0.000 0.857 294 R HN 0.329 nan 8.270 nan 0.000 0.435 295 E N -0.117 119.967 120.200 -0.193 0.000 2.510 295 E HA -0.094 4.257 4.350 0.001 0.000 0.202 295 E C 1.392 178.012 176.600 0.034 0.000 1.072 295 E CA 0.659 57.060 56.400 0.001 0.000 0.883 295 E CB -0.004 29.695 29.700 -0.002 0.000 0.818 295 E HN 0.295 nan 8.360 nan 0.000 0.548 296 R N -0.169 120.315 120.500 -0.028 0.000 2.300 296 R HA 0.311 4.651 4.340 0.001 0.000 0.199 296 R C 0.399 176.688 176.300 -0.019 0.000 0.920 296 R CA 0.157 56.237 56.100 -0.033 0.000 1.046 296 R CB 0.466 30.736 30.300 -0.051 0.000 0.984 296 R HN 0.028 nan 8.270 nan 0.000 0.493 297 A N 0.152 122.988 122.820 0.027 0.000 2.332 297 A HA 0.225 4.545 4.320 0.001 0.000 0.258 297 A C 0.956 178.536 177.584 -0.006 0.000 1.087 297 A CA -0.289 51.761 52.037 0.022 0.000 0.802 297 A CB 0.829 19.883 19.000 0.090 0.000 1.042 297 A HN 0.125 nan 8.150 nan 0.000 0.489 298 S N -0.342 115.229 115.700 -0.216 0.000 2.388 298 S HA 0.110 4.581 4.470 0.001 0.000 0.223 298 S C 0.456 174.963 174.600 -0.154 0.000 1.034 298 S CA 0.863 58.808 58.200 -0.425 0.000 0.963 298 S CB -0.281 62.173 63.200 -1.243 0.000 0.827 298 S HN 0.624 nan 8.310 nan 0.000 0.481 299 L N 0.704 121.875 121.223 -0.087 0.000 2.422 299 L HA 0.618 4.958 4.340 0.001 0.000 0.264 299 L C -1.924 174.989 176.870 0.071 0.000 0.984 299 L CA -0.643 54.267 54.840 0.117 0.000 0.819 299 L CB 1.729 43.946 42.059 0.263 0.000 1.330 299 L HN 0.043 nan 8.230 nan 0.000 0.410 300 I N 5.143 125.700 120.570 -0.022 0.000 2.436 300 I HA 0.389 4.559 4.170 0.001 0.000 0.289 300 I C -0.895 175.187 176.117 -0.058 0.000 1.010 300 I CA -0.528 60.738 61.300 -0.056 0.000 1.098 300 I CB 1.816 39.657 38.000 -0.265 0.000 1.266 300 I HN 0.412 nan 8.210 nan 0.000 0.434 301 L N 5.735 126.962 121.223 0.007 0.000 2.296 301 L HA 0.512 4.853 4.340 0.001 0.000 0.286 301 L C -0.426 176.457 176.870 0.021 0.000 1.023 301 L CA -0.385 54.434 54.840 -0.034 0.000 0.812 301 L CB 1.813 43.869 42.059 -0.005 0.000 1.223 301 L HN 0.565 nan 8.230 nan 0.000 0.421 302 T N 3.043 117.591 114.554 -0.010 0.000 2.770 302 T HA 0.392 4.743 4.350 0.001 0.000 0.283 302 T C -0.117 174.611 174.700 0.046 0.000 0.988 302 T CA -0.799 61.319 62.100 0.029 0.000 0.957 302 T CB 1.587 70.454 68.868 -0.002 0.000 0.930 302 T HN 0.387 nan 8.240 nan 0.000 0.443 303 K N 1.708 122.171 120.400 0.106 0.000 2.139 303 K HA 0.685 5.006 4.320 0.001 0.000 0.243 303 K C 0.438 177.111 176.600 0.121 0.000 0.983 303 K CA -0.782 55.592 56.287 0.144 0.000 0.890 303 K CB 1.521 34.176 32.500 0.259 0.000 1.090 303 K HN 0.697 nan 8.250 nan 0.000 0.445 304 S N -0.536 115.239 115.700 0.125 0.000 2.747 304 S HA 0.400 4.871 4.470 0.001 0.000 0.300 304 S C 1.204 175.883 174.600 0.132 0.000 1.121 304 S CA -0.233 58.015 58.200 0.081 0.000 0.995 304 S CB 1.533 64.773 63.200 0.066 0.000 1.113 304 S HN 0.642 nan 8.310 nan 0.000 0.547 305 A N 1.435 124.291 122.820 0.060 0.000 2.038 305 A HA -0.201 4.119 4.320 0.001 0.000 0.224 305 A C 1.469 179.211 177.584 0.264 0.000 1.190 305 A CA 2.074 54.164 52.037 0.087 0.000 0.668 305 A CB -1.069 17.951 19.000 0.033 0.000 0.820 305 A HN 0.825 nan 8.150 nan 0.000 0.474 306 N N -1.367 117.465 118.700 0.220 0.000 2.321 306 N HA 0.116 4.857 4.740 0.001 0.000 0.242 306 N C -0.389 175.289 175.510 0.279 0.000 1.141 306 N CA 0.119 53.316 53.050 0.245 0.000 0.864 306 N CB 0.025 38.611 38.487 0.166 0.000 1.100 306 N HN 0.565 nan 8.380 nan 0.000 0.510 307 H N -1.488 117.716 119.070 0.223 0.000 3.395 307 H HA -0.178 4.378 4.556 0.001 0.000 0.222 307 H C 0.328 175.718 175.328 0.103 0.000 1.099 307 H CA 0.865 56.958 56.048 0.075 0.000 1.182 307 H CB -1.350 28.334 29.762 -0.130 0.000 1.188 307 H HN 0.357 nan 8.280 nan 0.000 0.317 308 A N 1.352 124.283 122.820 0.186 0.000 2.440 308 A HA 0.441 4.762 4.320 0.001 0.000 0.251 308 A C 0.819 178.461 177.584 0.097 0.000 1.089 308 A CA -0.021 52.096 52.037 0.132 0.000 0.779 308 A CB 0.583 19.645 19.000 0.104 0.000 1.022 308 A HN 0.126 nan 8.150 nan 0.000 0.492 309 V N 3.682 123.623 119.914 0.045 0.000 2.455 309 V HA 0.128 4.248 4.120 0.001 0.000 0.273 309 V C 0.746 176.829 176.094 -0.019 0.000 1.045 309 V CA 0.020 62.310 62.300 -0.016 0.000 0.976 309 V CB 0.677 32.412 31.823 -0.147 0.000 0.993 309 V HN 1.027 nan 8.190 nan 0.000 0.475 310 E N 2.899 123.097 120.200 -0.003 0.000 2.340 310 E HA 0.198 4.549 4.350 0.001 0.000 0.198 310 E C 0.300 176.901 176.600 0.003 0.000 0.961 310 E CA 0.330 56.737 56.400 0.011 0.000 0.905 310 E CB 1.025 30.739 29.700 0.023 0.000 0.884 310 E HN 0.800 nan 8.360 nan 0.000 0.491 311 E N -0.152 120.029 120.200 -0.032 0.000 2.408 311 E HA 0.513 4.863 4.350 0.001 0.000 0.275 311 E C -1.374 175.159 176.600 -0.111 0.000 0.935 311 E CA -0.672 55.712 56.400 -0.027 0.000 0.775 311 E CB 3.214 32.907 29.700 -0.011 0.000 1.277 311 E HN -0.248 nan 8.360 nan 0.000 0.455 312 V N 1.848 121.718 119.914 -0.073 0.000 2.612 312 V HA 0.452 4.573 4.120 0.001 0.000 0.301 312 V C -0.813 175.324 176.094 0.072 0.000 1.059 312 V CA -0.809 61.375 62.300 -0.193 0.000 0.886 312 V CB 1.775 33.184 31.823 -0.690 0.000 1.007 312 V HN 0.550 nan 8.190 nan 0.000 0.426 313 R N 3.730 124.238 120.500 0.013 0.000 2.437 313 R HA 0.762 5.103 4.340 0.001 0.000 0.310 313 R C -1.444 175.014 176.300 0.263 0.000 0.955 313 R CA -0.816 55.352 56.100 0.114 0.000 0.851 313 R CB 2.501 32.657 30.300 -0.239 0.000 1.161 313 R HN 0.550 nan 8.270 nan 0.000 0.446 314 L N 2.320 123.830 121.223 0.479 0.000 2.381 314 L HA 0.433 4.774 4.340 0.001 0.000 0.274 314 L C -0.344 176.776 176.870 0.417 0.000 0.988 314 L CA -0.648 54.471 54.840 0.465 0.000 0.824 314 L CB 1.444 43.785 42.059 0.470 0.000 1.263 314 L HN 0.410 nan 8.230 nan 0.000 0.410 315 R N 3.746 124.378 120.500 0.221 0.000 2.537 315 R HA 0.048 4.388 4.340 0.001 0.000 0.281 315 R C -0.001 176.330 176.300 0.052 0.000 0.988 315 R CA 0.256 56.299 56.100 -0.095 0.000 1.077 315 R CB 0.139 30.305 30.300 -0.224 0.000 0.932 315 R HN 0.698 nan 8.270 nan 0.000 0.409 316 K N 0.000 120.399 120.400 -0.002 0.000 2.780 316 K HA 0.000 4.321 4.320 0.001 0.000 0.191 316 K CA 0.000 56.318 56.287 0.052 0.000 0.838 316 K CB 0.000 32.512 32.500 0.020 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543