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 3eon_1_B DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPNX XXXXGSMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEXXXDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGXXX DATA SEQUENCE XXXXFGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.637 177.584 0.089 0.000 1.274 4 A CA 0.000 52.081 52.037 0.073 0.000 0.836 4 A CB 0.000 19.037 19.000 0.062 0.000 0.831 5 T N 1.101 115.717 114.554 0.103 0.000 2.823 5 T HA 0.670 5.021 4.350 0.001 0.000 0.279 5 T C -0.676 174.097 174.700 0.121 0.000 0.998 5 T CA -0.486 61.661 62.100 0.078 0.000 0.994 5 T CB 0.496 69.365 68.868 0.000 0.000 0.960 5 T HN 0.821 nan 8.240 nan 0.000 0.448 6 F N 4.249 124.170 119.950 -0.050 0.000 2.411 6 F HA 0.446 4.973 4.527 0.000 0.000 0.350 6 F C -0.168 175.570 175.800 -0.103 0.000 1.114 6 F CA -0.510 57.494 58.000 0.007 0.000 1.135 6 F CB 0.583 39.616 39.000 0.055 0.000 1.120 6 F HN 0.726 nan 8.300 nan 0.000 0.495 7 H N 7.383 126.016 119.070 -0.728 0.000 2.690 7 H HA 0.069 4.626 4.556 0.001 0.000 0.280 7 H C 0.626 175.356 175.328 -0.997 0.000 1.138 7 H CA -0.710 54.926 56.048 -0.687 0.000 1.241 7 H CB 0.223 29.720 29.762 -0.441 0.000 1.394 7 H HN 0.788 nan 8.280 nan 0.000 0.489 8 W N 3.641 124.523 121.300 -0.696 0.000 2.321 8 W HA -0.213 4.447 4.660 -0.000 0.000 0.306 8 W C 0.389 176.918 176.519 0.018 0.000 1.217 8 W CA 1.579 58.760 57.345 -0.274 0.000 1.257 8 W CB -0.337 29.175 29.460 0.087 0.000 1.145 8 W HN 0.540 nan 8.180 nan 0.000 0.509 9 D N -0.331 119.426 120.400 -1.072 0.000 2.347 9 D HA -0.086 4.554 4.640 0.001 0.000 0.213 9 D C -0.076 176.049 176.300 -0.291 0.000 0.985 9 D CA 0.661 54.097 54.000 -0.940 0.000 0.879 9 D CB -0.607 39.179 40.800 -1.691 0.000 0.919 9 D HN 0.105 nan 8.370 nan 0.000 0.526 10 D N -0.329 119.915 120.400 -0.261 0.000 2.849 10 D HA 0.214 4.855 4.640 0.001 0.000 0.314 10 D C -2.077 174.145 176.300 -0.131 0.000 1.210 10 D CA -1.826 52.084 54.000 -0.151 0.000 0.756 10 D CB 1.298 41.961 40.800 -0.229 0.000 1.222 10 D HN -0.195 nan 8.370 nan 0.000 0.521 11 P HA -0.044 nan 4.420 nan 0.000 0.216 11 P C 1.130 178.447 177.300 0.028 0.000 1.150 11 P CA 0.882 63.969 63.100 -0.021 0.000 0.837 11 P CB 0.327 32.118 31.700 0.152 0.000 0.786 12 L N -1.284 119.944 121.223 0.008 0.000 2.685 12 L HA 0.198 4.538 4.340 0.001 0.000 0.233 12 L C 0.269 177.119 176.870 -0.034 0.000 1.173 12 L CA -0.283 54.560 54.840 0.006 0.000 0.961 12 L CB -0.574 41.491 42.059 0.009 0.000 1.217 12 L HN -0.105 nan 8.230 nan 0.000 0.478 13 L N 0.277 121.446 121.223 -0.091 0.000 3.795 13 L HA -0.275 4.066 4.340 0.001 0.000 0.489 13 L C 1.532 178.346 176.870 -0.093 0.000 1.259 13 L CA -0.271 54.478 54.840 -0.151 0.000 0.765 13 L CB -0.872 41.098 42.059 -0.148 0.000 1.519 13 L HN 0.323 nan 8.230 nan 0.000 0.842 14 L N 0.528 121.708 121.223 -0.071 0.000 2.043 14 L HA -0.212 4.129 4.340 0.001 0.000 0.212 14 L C 2.036 178.888 176.870 -0.030 0.000 1.075 14 L CA 2.578 57.402 54.840 -0.026 0.000 0.752 14 L CB -0.308 41.751 42.059 -0.000 0.000 0.891 14 L HN 0.468 nan 8.230 nan 0.000 0.432 15 D N -0.663 119.693 120.400 -0.074 0.000 2.133 15 D HA -0.267 4.373 4.640 0.001 0.000 0.192 15 D C 2.084 178.349 176.300 -0.058 0.000 1.001 15 D CA 1.467 55.420 54.000 -0.078 0.000 0.844 15 D CB -0.079 40.643 40.800 -0.129 0.000 0.944 15 D HN 0.523 nan 8.370 nan 0.000 0.447 16 Q N -0.815 118.945 119.800 -0.067 0.000 2.515 16 Q HA -0.045 4.295 4.340 0.001 0.000 0.212 16 Q C 1.411 177.400 176.000 -0.019 0.000 0.970 16 Q CA 0.506 56.282 55.803 -0.045 0.000 0.941 16 Q CB 0.170 28.876 28.738 -0.052 0.000 0.998 16 Q HN 0.495 nan 8.270 nan 0.000 0.518 17 Q N -0.526 119.270 119.800 -0.007 0.000 2.281 17 Q HA 0.206 4.547 4.340 0.001 0.000 0.215 17 Q C -0.160 175.858 176.000 0.030 0.000 0.867 17 Q CA -0.101 55.710 55.803 0.015 0.000 0.940 17 Q CB 0.872 29.625 28.738 0.025 0.000 1.111 17 Q HN 0.254 nan 8.270 nan 0.000 0.513 18 L N 0.790 122.025 121.223 0.020 0.000 2.357 18 L HA 0.512 4.852 4.340 0.001 0.000 0.273 18 L C 0.294 177.168 176.870 0.006 0.000 1.080 18 L CA -0.928 53.925 54.840 0.021 0.000 0.803 18 L CB 0.880 42.946 42.059 0.012 0.000 1.174 18 L HN 0.008 nan 8.230 nan 0.000 0.443 19 A N 1.215 124.040 122.820 0.007 0.000 2.386 19 A HA 0.073 4.394 4.320 0.001 0.000 0.246 19 A C 0.684 178.262 177.584 -0.011 0.000 1.089 19 A CA -0.261 51.775 52.037 -0.001 0.000 0.790 19 A CB 0.169 19.169 19.000 -0.000 0.000 1.042 19 A HN 0.846 nan 8.150 nan 0.000 0.497 20 D N -0.161 120.231 120.400 -0.013 0.000 2.149 20 D HA -0.109 4.531 4.640 0.001 0.000 0.201 20 D C 1.287 177.574 176.300 -0.021 0.000 0.972 20 D CA 1.665 55.654 54.000 -0.018 0.000 0.835 20 D CB -0.276 40.514 40.800 -0.017 0.000 0.966 20 D HN 0.717 nan 8.370 nan 0.000 0.476 21 D N 0.840 121.228 120.400 -0.021 0.000 2.116 21 D HA -0.165 4.475 4.640 0.001 0.000 0.193 21 D C 1.828 178.110 176.300 -0.031 0.000 0.998 21 D CA 1.175 55.160 54.000 -0.026 0.000 0.836 21 D CB 0.111 40.896 40.800 -0.026 0.000 0.951 21 D HN 0.263 nan 8.370 nan 0.000 0.449 22 E N -0.472 119.711 120.200 -0.029 0.000 2.106 22 E HA -0.102 4.249 4.350 0.001 0.000 0.192 22 E C 2.242 178.817 176.600 -0.042 0.000 0.984 22 E CA 0.535 56.913 56.400 -0.038 0.000 0.806 22 E CB 0.007 29.691 29.700 -0.026 0.000 0.750 22 E HN 0.256 nan 8.360 nan 0.000 0.458 23 R N 0.513 120.993 120.500 -0.033 0.000 2.237 23 R HA -0.066 4.275 4.340 0.001 0.000 0.219 23 R C 2.452 178.732 176.300 -0.033 0.000 1.080 23 R CA 1.297 57.375 56.100 -0.035 0.000 0.995 23 R CB -0.222 30.058 30.300 -0.034 0.000 0.875 23 R HN 0.368 nan 8.270 nan 0.000 0.462 24 M N -1.425 118.157 119.600 -0.029 0.000 2.466 24 M HA 0.060 4.540 4.480 0.001 0.000 0.265 24 M C 1.758 178.047 176.300 -0.020 0.000 1.122 24 M CA 0.983 56.270 55.300 -0.022 0.000 1.157 24 M CB -0.070 32.518 32.600 -0.021 0.000 1.352 24 M HN -0.190 nan 8.290 nan 0.000 0.464 25 V N 1.728 121.623 119.914 -0.031 0.000 2.278 25 V HA -0.299 3.822 4.120 0.001 0.000 0.251 25 V C 2.819 178.899 176.094 -0.025 0.000 1.062 25 V CA 2.641 64.920 62.300 -0.035 0.000 1.038 25 V CB -1.348 30.444 31.823 -0.053 0.000 0.646 25 V HN 0.611 nan 8.190 nan 0.000 0.447 26 R N 0.051 120.531 120.500 -0.033 0.000 2.073 26 R HA -0.191 4.149 4.340 0.001 0.000 0.234 26 R C 2.089 178.407 176.300 0.030 0.000 1.134 26 R CA 2.140 58.228 56.100 -0.020 0.000 0.952 26 R CB -0.408 29.867 30.300 -0.042 0.000 0.850 26 R HN 0.550 nan 8.270 nan 0.000 0.433 27 D N 0.359 120.770 120.400 0.020 0.000 2.144 27 D HA -0.092 4.549 4.640 0.001 0.000 0.200 27 D C 1.775 178.133 176.300 0.096 0.000 0.978 27 D CA 1.249 55.284 54.000 0.059 0.000 0.833 27 D CB -0.290 40.520 40.800 0.017 0.000 0.961 27 D HN 0.358 nan 8.370 nan 0.000 0.470 28 A N 1.718 124.569 122.820 0.052 0.000 1.859 28 A HA -0.203 4.118 4.320 0.001 0.000 0.218 28 A C 2.414 180.050 177.584 0.087 0.000 1.209 28 A CA 2.975 55.042 52.037 0.050 0.000 0.639 28 A CB -1.151 17.854 19.000 0.009 0.000 0.835 28 A HN 0.247 nan 8.150 nan 0.000 0.450 29 A N -1.312 121.553 122.820 0.074 0.000 1.958 29 A HA -0.284 4.036 4.320 0.001 0.000 0.221 29 A C 2.045 179.716 177.584 0.146 0.000 1.178 29 A CA 2.581 54.682 52.037 0.107 0.000 0.642 29 A CB -0.990 18.048 19.000 0.063 0.000 0.816 29 A HN 0.865 nan 8.150 nan 0.000 0.453 30 H N -0.441 118.654 119.070 0.042 0.000 2.326 30 H HA 0.098 4.654 4.556 0.001 0.000 0.301 30 H C 2.221 177.565 175.328 0.026 0.000 1.081 30 H CA 2.015 58.081 56.048 0.029 0.000 1.334 30 H CB -0.282 29.486 29.762 0.010 0.000 1.385 30 H HN 0.389 nan 8.280 nan 0.000 0.504 31 A N -0.293 122.560 122.820 0.056 0.000 1.933 31 A HA -0.191 4.129 4.320 0.001 0.000 0.218 31 A C 2.337 179.901 177.584 -0.034 0.000 1.175 31 A CA 1.544 53.575 52.037 -0.010 0.000 0.628 31 A CB -1.336 17.698 19.000 0.056 0.000 0.814 31 A HN 0.717 nan 8.150 nan 0.000 0.444 32 Y N 0.500 120.755 120.300 -0.074 0.000 2.114 32 Y HA -0.120 4.431 4.550 0.001 0.000 0.284 32 Y C 2.666 178.494 175.900 -0.119 0.000 1.143 32 Y CA 1.701 59.750 58.100 -0.087 0.000 1.135 32 Y CB -0.407 38.008 38.460 -0.074 0.000 0.980 32 Y HN 0.315 nan 8.280 nan 0.000 0.499 33 A N 0.279 122.959 122.820 -0.233 0.000 1.877 33 A HA -0.224 4.096 4.320 0.001 0.000 0.216 33 A C 2.065 179.446 177.584 -0.337 0.000 1.186 33 A CA 1.880 53.731 52.037 -0.310 0.000 0.620 33 A CB -0.674 18.270 19.000 -0.094 0.000 0.822 33 A HN 0.583 nan 8.150 nan 0.000 0.443 34 Q N -0.661 118.942 119.800 -0.328 0.000 2.079 34 Q HA -0.080 4.260 4.340 0.001 0.000 0.200 34 Q C 2.222 178.088 176.000 -0.223 0.000 0.974 34 Q CA 1.594 57.230 55.803 -0.277 0.000 0.840 34 Q CB -0.977 27.544 28.738 -0.361 0.000 0.898 34 Q HN 0.642 nan 8.270 nan 0.000 0.430 35 G N 0.767 109.428 108.800 -0.232 0.000 2.403 35 G HA2 -0.174 3.786 3.960 0.001 0.000 0.216 35 G HA3 -0.174 3.786 3.960 0.001 0.000 0.216 35 G C 1.630 176.397 174.900 -0.222 0.000 1.154 35 G CA 0.478 45.472 45.100 -0.177 0.000 0.784 35 G HN 0.120 nan 8.290 nan 0.000 0.538 36 K N -0.527 119.637 120.400 -0.394 0.000 2.367 36 K HA 0.375 4.696 4.320 0.001 0.000 0.198 36 K C 2.414 178.767 176.600 -0.411 0.000 1.132 36 K CA 0.067 56.102 56.287 -0.420 0.000 0.941 36 K CB -0.158 31.992 32.500 -0.583 0.000 1.052 36 K HN 0.278 nan 8.250 nan 0.000 0.507 37 L N 0.515 121.429 121.223 -0.515 0.000 2.168 37 L HA 0.085 4.426 4.340 0.001 0.000 0.203 37 L C 2.421 179.210 176.870 -0.136 0.000 1.078 37 L CA 0.896 55.490 54.840 -0.409 0.000 0.780 37 L CB -0.506 41.238 42.059 -0.526 0.000 0.939 37 L HN -0.002 nan 8.230 nan 0.000 0.451 38 A N 1.054 123.801 122.820 -0.122 0.000 1.917 38 A HA -0.156 4.165 4.320 0.001 0.000 0.219 38 A C -0.073 177.500 177.584 -0.018 0.000 1.182 38 A CA 1.930 53.943 52.037 -0.041 0.000 0.633 38 A CB -1.864 17.102 19.000 -0.056 0.000 0.819 38 A HN 0.315 nan 8.150 nan 0.000 0.448 39 P HA -0.068 nan 4.420 nan 0.000 0.222 39 P C 1.370 178.679 177.300 0.014 0.000 1.153 39 P CA 0.788 63.879 63.100 -0.015 0.000 0.798 39 P CB -0.061 31.620 31.700 -0.031 0.000 0.796 40 R N -0.569 119.942 120.500 0.017 0.000 2.093 40 R HA 0.007 4.348 4.340 0.001 0.000 0.224 40 R C 2.211 178.595 176.300 0.139 0.000 1.101 40 R CA 0.712 56.855 56.100 0.073 0.000 0.979 40 R CB -1.440 28.897 30.300 0.062 0.000 0.877 40 R HN 0.096 nan 8.270 nan 0.000 0.441 41 V N 1.365 121.380 119.914 0.169 0.000 2.332 41 V HA -0.268 3.852 4.120 0.001 0.000 0.248 41 V C 1.872 178.033 176.094 0.112 0.000 1.055 41 V CA 2.299 64.715 62.300 0.194 0.000 1.038 41 V CB -0.383 31.548 31.823 0.179 0.000 0.651 41 V HN 0.373 nan 8.190 nan 0.000 0.450 42 T N -0.045 114.552 114.554 0.072 0.000 2.607 42 T HA -0.197 4.154 4.350 0.001 0.000 0.267 42 T C 1.820 176.566 174.700 0.077 0.000 1.049 42 T CA 1.871 64.008 62.100 0.061 0.000 1.162 42 T CB -0.324 68.566 68.868 0.037 0.000 0.863 42 T HN 0.502 nan 8.240 nan 0.000 0.424 43 E N 1.037 121.283 120.200 0.077 0.000 2.106 43 E HA 0.052 4.402 4.350 0.001 0.000 0.192 43 E C 2.542 179.201 176.600 0.099 0.000 0.984 43 E CA 1.029 57.476 56.400 0.079 0.000 0.806 43 E CB -0.692 29.108 29.700 0.167 0.000 0.750 43 E HN 0.502 nan 8.360 nan 0.000 0.458 44 A N 0.894 123.796 122.820 0.136 0.000 1.883 44 A HA -0.197 4.123 4.320 0.001 0.000 0.217 44 A C 2.140 179.779 177.584 0.092 0.000 1.186 44 A CA 1.448 53.570 52.037 0.142 0.000 0.624 44 A CB -0.859 18.259 19.000 0.197 0.000 0.822 44 A HN 0.281 nan 8.150 nan 0.000 0.444 45 F N 0.449 120.369 119.950 -0.051 0.000 2.031 45 F HA -0.168 4.359 4.527 0.001 0.000 0.295 45 F C 2.425 178.171 175.800 -0.090 0.000 1.133 45 F CA 2.201 60.149 58.000 -0.086 0.000 1.188 45 F CB -0.422 38.509 39.000 -0.116 0.000 0.974 45 F HN 0.209 nan 8.300 nan 0.000 0.473 46 R N -0.643 119.818 120.500 -0.065 0.000 2.119 46 R HA -0.242 4.098 4.340 0.001 0.000 0.246 46 R C 1.447 177.494 176.300 -0.423 0.000 1.146 46 R CA 2.455 58.380 56.100 -0.291 0.000 0.962 46 R CB -0.688 29.386 30.300 -0.377 0.000 0.863 46 R HN 0.544 nan 8.270 nan 0.000 0.442 47 H N -1.298 117.746 119.070 -0.043 0.000 2.652 47 H HA 0.201 4.757 4.556 0.001 0.000 0.274 47 H C -0.376 174.925 175.328 -0.045 0.000 1.021 47 H CA 0.138 56.162 56.048 -0.040 0.000 1.187 47 H CB 0.673 30.430 29.762 -0.009 0.000 1.505 47 H HN 0.275 nan 8.280 nan 0.000 0.530 48 E N 1.925 122.120 120.200 -0.007 0.000 2.271 48 E HA -0.157 4.193 4.350 0.001 0.000 0.223 48 E C -0.604 176.052 176.600 0.093 0.000 1.223 48 E CA 0.430 56.836 56.400 0.009 0.000 0.704 48 E CB -0.765 28.949 29.700 0.023 0.000 1.194 48 E HN 0.538 nan 8.360 nan 0.000 0.375 49 T N -1.241 113.378 114.554 0.107 0.000 2.771 49 T HA 0.374 4.725 4.350 0.001 0.000 0.291 49 T C 0.342 175.126 174.700 0.140 0.000 0.954 49 T CA -0.576 61.599 62.100 0.124 0.000 1.045 49 T CB 1.600 70.547 68.868 0.131 0.000 0.917 49 T HN 0.054 nan 8.240 nan 0.000 0.484 50 T N 4.210 118.848 114.554 0.141 0.000 2.769 50 T HA 0.229 4.580 4.350 0.001 0.000 0.293 50 T C -0.371 174.421 174.700 0.154 0.000 0.931 50 T CA -0.142 62.051 62.100 0.155 0.000 1.139 50 T CB 0.078 69.034 68.868 0.147 0.000 0.881 50 T HN 0.688 nan 8.240 nan 0.000 0.532 51 D N 2.004 122.513 120.400 0.182 0.000 2.542 51 D HA 0.466 5.107 4.640 0.001 0.000 0.252 51 D C 0.086 176.513 176.300 0.211 0.000 1.222 51 D CA -0.720 53.382 54.000 0.169 0.000 0.895 51 D CB 1.343 42.234 40.800 0.152 0.000 1.207 51 D HN 0.484 nan 8.370 nan 0.000 0.558 52 A N 2.659 125.617 122.820 0.230 0.000 2.337 52 A HA 0.407 4.727 4.320 0.001 0.000 0.227 52 A C 1.687 179.462 177.584 0.318 0.000 1.259 52 A CA 0.675 52.932 52.037 0.367 0.000 0.870 52 A CB 0.040 19.218 19.000 0.296 0.000 0.927 52 A HN 0.520 nan 8.150 nan 0.000 0.497 53 A N 0.184 123.108 122.820 0.173 0.000 1.969 53 A HA -0.058 4.262 4.320 0.001 0.000 0.218 53 A C 1.919 179.551 177.584 0.080 0.000 1.169 53 A CA 1.211 53.319 52.037 0.119 0.000 0.635 53 A CB -0.484 18.563 19.000 0.080 0.000 0.810 53 A HN 0.576 nan 8.150 nan 0.000 0.445 54 I N -1.365 119.202 120.570 -0.005 0.000 2.315 54 I HA -0.297 3.874 4.170 0.001 0.000 0.251 54 I C 1.965 177.955 176.117 -0.212 0.000 1.125 54 I CA 1.626 62.845 61.300 -0.134 0.000 1.392 54 I CB -0.138 37.677 38.000 -0.307 0.000 1.065 54 I HN 0.394 nan 8.210 nan 0.000 0.424 55 F N 0.598 120.570 119.950 0.037 0.000 2.149 55 F HA -0.111 4.416 4.527 0.001 0.000 0.294 55 F C 2.708 178.502 175.800 -0.010 0.000 1.095 55 F CA 1.539 59.550 58.000 0.018 0.000 1.276 55 F CB -0.821 38.207 39.000 0.047 0.000 1.023 55 F HN -0.035 nan 8.300 nan 0.000 0.480 56 R N 0.939 121.555 120.500 0.193 0.000 2.091 56 R HA -0.197 4.144 4.340 0.001 0.000 0.238 56 R C 1.829 178.139 176.300 0.016 0.000 1.136 56 R CA 2.187 58.346 56.100 0.097 0.000 0.959 56 R CB -0.415 29.942 30.300 0.096 0.000 0.856 56 R HN 0.344 nan 8.270 nan 0.000 0.437 57 E N 0.058 120.251 120.200 -0.012 0.000 2.046 57 E HA -0.133 4.217 4.350 0.001 0.000 0.190 57 E C 2.198 178.622 176.600 -0.294 0.000 0.982 57 E CA 1.559 57.912 56.400 -0.079 0.000 0.800 57 E CB -0.062 29.675 29.700 0.061 0.000 0.756 57 E HN 0.391 nan 8.360 nan 0.000 0.449 58 M N 0.225 119.589 119.600 -0.394 0.000 2.175 58 M HA -0.062 4.418 4.480 0.001 0.000 0.264 58 M C 2.400 178.559 176.300 -0.235 0.000 1.063 58 M CA 1.351 56.365 55.300 -0.475 0.000 1.119 58 M CB -0.317 32.050 32.600 -0.388 0.000 1.377 58 M HN 0.214 nan 8.290 nan 0.000 0.415 59 G N -0.218 108.513 108.800 -0.115 0.000 2.408 59 G HA2 -0.212 3.748 3.960 0.001 0.000 0.217 59 G HA3 -0.212 3.748 3.960 0.001 0.000 0.217 59 G C 1.368 176.223 174.900 -0.075 0.000 1.150 59 G CA 0.583 45.648 45.100 -0.058 0.000 0.776 59 G HN 0.474 nan 8.290 nan 0.000 0.542 60 E N 0.374 120.527 120.200 -0.080 0.000 2.085 60 E HA -0.138 4.212 4.350 0.001 0.000 0.194 60 E C 2.345 178.895 176.600 -0.084 0.000 0.994 60 E CA 1.229 57.587 56.400 -0.070 0.000 0.801 60 E CB -0.179 29.487 29.700 -0.056 0.000 0.743 60 E HN 0.679 nan 8.360 nan 0.000 0.453 61 I N -3.895 116.599 120.570 -0.127 0.000 3.812 61 I HA 0.320 4.490 4.170 0.001 0.000 0.320 61 I C 0.974 177.027 176.117 -0.106 0.000 1.276 61 I CA 0.631 61.862 61.300 -0.115 0.000 1.164 61 I CB 0.201 38.121 38.000 -0.132 0.000 1.009 61 I HN 0.147 nan 8.210 nan 0.000 0.431 62 G N 2.466 111.204 108.800 -0.104 0.000 2.149 62 G HA2 -0.237 3.724 3.960 0.001 0.000 0.235 62 G HA3 -0.237 3.724 3.960 0.001 0.000 0.235 62 G C 0.317 175.161 174.900 -0.093 0.000 1.018 62 G CA 0.333 45.379 45.100 -0.090 0.000 0.728 62 G HN 0.486 nan 8.290 nan 0.000 0.508 63 L N -0.600 120.557 121.223 -0.109 0.000 2.667 63 L HA 0.425 4.766 4.340 0.001 0.000 0.232 63 L C 1.006 177.841 176.870 -0.059 0.000 1.138 63 L CA -0.049 54.737 54.840 -0.089 0.000 0.921 63 L CB 0.101 42.086 42.059 -0.123 0.000 1.180 63 L HN 0.172 nan 8.230 nan 0.000 0.487 64 L N 0.052 121.241 121.223 -0.057 0.000 2.322 64 L HA 0.536 4.877 4.340 0.001 0.000 0.279 64 L C 1.026 177.857 176.870 -0.065 0.000 1.036 64 L CA -0.537 54.289 54.840 -0.024 0.000 0.807 64 L CB 1.404 43.477 42.059 0.025 0.000 1.226 64 L HN 0.182 nan 8.230 nan 0.000 0.433 65 G N 2.889 111.634 108.800 -0.092 0.000 2.371 65 G HA2 -0.182 3.779 3.960 0.001 0.000 0.299 65 G HA3 -0.182 3.779 3.960 0.001 0.000 0.299 65 G C -1.242 173.519 174.900 -0.232 0.000 1.014 65 G CA -0.091 44.905 45.100 -0.173 0.000 1.097 65 G HN 0.608 nan 8.290 nan 0.000 0.512 66 P HA -0.189 nan 4.420 nan 0.000 0.217 66 P C 1.775 178.898 177.300 -0.294 0.000 1.148 66 P CA 2.195 65.161 63.100 -0.224 0.000 0.834 66 P CB -0.233 31.371 31.700 -0.160 0.000 0.783 67 T N -4.018 110.290 114.554 -0.410 0.000 3.144 67 T HA 0.147 4.497 4.350 0.001 0.000 0.249 67 T C 0.914 175.342 174.700 -0.453 0.000 1.089 67 T CA -0.290 61.534 62.100 -0.460 0.000 0.989 67 T CB -0.448 68.047 68.868 -0.621 0.000 0.992 67 T HN -0.149 nan 8.240 nan 0.000 0.540 68 I N 3.126 123.438 120.570 -0.429 0.000 2.441 68 I HA 0.363 4.534 4.170 0.001 0.000 0.287 68 I C -2.403 173.490 176.117 -0.374 0.000 1.049 68 I CA -3.278 57.702 61.300 -0.534 0.000 1.381 68 I CB 0.477 38.240 38.000 -0.394 0.000 1.409 68 I HN -0.035 nan 8.210 nan 0.000 0.523 69 P HA 0.077 nan 4.420 nan 0.000 0.268 69 P C 0.629 177.842 177.300 -0.145 0.000 1.208 69 P CA -0.076 62.903 63.100 -0.200 0.000 0.777 69 P CB 0.681 32.313 31.700 -0.113 0.000 0.875 70 E N 0.957 121.076 120.200 -0.134 0.000 2.118 70 E HA -0.289 4.061 4.350 0.001 0.000 0.195 70 E C 1.817 178.325 176.600 -0.153 0.000 0.992 70 E CA 0.926 57.254 56.400 -0.121 0.000 0.804 70 E CB -0.219 29.419 29.700 -0.104 0.000 0.741 70 E HN 0.582 nan 8.360 nan 0.000 0.458 71 Q N 0.174 119.835 119.800 -0.230 0.000 2.197 71 Q HA -0.231 4.110 4.340 0.001 0.000 0.211 71 Q C 0.761 176.470 176.000 -0.486 0.000 0.993 71 Q CA 1.628 57.190 55.803 -0.401 0.000 0.883 71 Q CB -0.036 28.360 28.738 -0.570 0.000 0.916 71 Q HN 0.421 nan 8.270 nan 0.000 0.418 72 Y N -1.682 118.589 120.300 -0.048 0.000 2.524 72 Y HA 0.345 4.895 4.550 0.001 0.000 0.266 72 Y C 1.275 177.133 175.900 -0.070 0.000 1.180 72 Y CA 0.290 58.365 58.100 -0.042 0.000 1.244 72 Y CB 0.984 39.435 38.460 -0.014 0.000 1.125 72 Y HN 0.284 nan 8.280 nan 0.000 0.524 73 G N -0.662 108.139 108.800 0.002 0.000 2.194 73 G HA2 -0.220 3.740 3.960 0.001 0.000 0.236 73 G HA3 -0.220 3.740 3.960 0.001 0.000 0.236 73 G C 0.796 175.666 174.900 -0.050 0.000 0.987 73 G CA -0.232 44.850 45.100 -0.029 0.000 0.635 73 G HN 0.730 nan 8.290 nan 0.000 0.520 74 G N 0.218 108.981 108.800 -0.061 0.000 2.634 74 G HA2 0.554 4.515 3.960 0.001 0.000 0.255 74 G HA3 0.554 4.515 3.960 0.001 0.000 0.255 74 G C -0.672 174.161 174.900 -0.111 0.000 1.205 74 G CA -0.145 44.892 45.100 -0.105 0.000 0.884 74 G HN 0.170 nan 8.290 nan 0.000 0.549 75 P HA 0.124 nan 4.420 nan 0.000 0.261 75 P C 0.961 178.189 177.300 -0.120 0.000 1.268 75 P CA 0.579 63.614 63.100 -0.108 0.000 0.833 75 P CB 0.482 32.122 31.700 -0.100 0.000 1.231 76 G N 0.805 109.514 108.800 -0.151 0.000 2.366 76 G HA2 -0.253 3.707 3.960 0.001 0.000 0.299 76 G HA3 -0.253 3.707 3.960 0.001 0.000 0.299 76 G C -0.138 174.675 174.900 -0.146 0.000 1.020 76 G CA 0.054 45.060 45.100 -0.157 0.000 1.026 76 G HN 0.303 nan 8.290 nan 0.000 0.512 77 L N -0.436 120.687 121.223 -0.167 0.000 2.400 77 L HA 0.622 4.962 4.340 0.001 0.000 0.264 77 L C 0.830 177.587 176.870 -0.189 0.000 1.061 77 L CA -1.003 53.750 54.840 -0.145 0.000 0.799 77 L CB 0.722 42.708 42.059 -0.122 0.000 1.240 77 L HN 0.403 nan 8.230 nan 0.000 0.461 78 D N -1.769 118.547 120.400 -0.140 0.000 2.506 78 D HA 0.053 4.694 4.640 0.001 0.000 0.272 78 D C 0.611 176.827 176.300 -0.139 0.000 1.214 78 D CA -0.109 53.797 54.000 -0.156 0.000 1.067 78 D CB 0.371 41.145 40.800 -0.043 0.000 1.117 78 D HN 0.341 nan 8.370 nan 0.000 0.578 79 Y N -0.682 119.614 120.300 -0.007 0.000 2.242 79 Y HA -0.083 4.467 4.550 0.001 0.000 0.291 79 Y C 2.416 178.398 175.900 0.137 0.000 1.137 79 Y CA 0.885 59.004 58.100 0.031 0.000 1.181 79 Y CB -0.481 37.880 38.460 -0.164 0.000 0.989 79 Y HN 0.169 nan 8.280 nan 0.000 0.527 80 V N -1.251 118.802 119.914 0.231 0.000 2.392 80 V HA -0.300 3.821 4.120 0.001 0.000 0.249 80 V C 2.264 178.233 176.094 -0.208 0.000 1.059 80 V CA 2.102 64.448 62.300 0.075 0.000 1.051 80 V CB -0.883 31.012 31.823 0.121 0.000 0.658 80 V HN 0.323 nan 8.190 nan 0.000 0.455 81 S N -1.507 114.139 115.700 -0.091 0.000 2.368 81 S HA -0.212 4.259 4.470 0.001 0.000 0.224 81 S C 1.805 176.346 174.600 -0.098 0.000 1.029 81 S CA 1.692 59.819 58.200 -0.121 0.000 0.988 81 S CB -0.468 62.690 63.200 -0.071 0.000 0.838 81 S HN 0.732 nan 8.310 nan 0.000 0.462 82 Y N 2.038 122.248 120.300 -0.150 0.000 2.128 82 Y HA -0.221 4.330 4.550 0.001 0.000 0.284 82 Y C 2.478 178.236 175.900 -0.235 0.000 1.154 82 Y CA 1.171 59.214 58.100 -0.095 0.000 1.149 82 Y CB -0.708 37.798 38.460 0.077 0.000 0.976 82 Y HN 0.327 nan 8.280 nan 0.000 0.505 83 G N 0.485 108.907 108.800 -0.630 0.000 2.446 83 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 83 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 83 G C 1.549 175.695 174.900 -1.258 0.000 1.168 83 G CA 1.263 45.370 45.100 -1.655 0.000 0.771 83 G HN 0.440 nan 8.290 nan 0.000 0.551 84 L N 0.048 120.635 121.223 -1.061 0.000 2.083 84 L HA 0.008 4.349 4.340 0.001 0.000 0.209 84 L C 2.821 179.547 176.870 -0.239 0.000 1.083 84 L CA 0.488 55.005 54.840 -0.539 0.000 0.752 84 L CB -0.298 41.535 42.059 -0.377 0.000 0.899 84 L HN 0.206 nan 8.230 nan 0.000 0.433 85 I N -0.221 120.224 120.570 -0.208 0.000 2.113 85 I HA -0.319 3.851 4.170 0.001 0.000 0.238 85 I C 2.821 178.903 176.117 -0.058 0.000 1.070 85 I CA 1.333 62.587 61.300 -0.075 0.000 1.332 85 I CB -0.499 37.498 38.000 -0.005 0.000 1.044 85 I HN 0.208 nan 8.210 nan 0.000 0.402 86 A N 0.752 123.490 122.820 -0.136 0.000 1.883 86 A HA -0.297 4.024 4.320 0.001 0.000 0.217 86 A C 2.383 179.954 177.584 -0.020 0.000 1.186 86 A CA 2.189 54.165 52.037 -0.101 0.000 0.624 86 A CB -0.800 18.057 19.000 -0.237 0.000 0.822 86 A HN 0.388 nan 8.150 nan 0.000 0.444 87 R N -0.489 120.015 120.500 0.006 0.000 2.112 87 R HA -0.219 4.122 4.340 0.001 0.000 0.242 87 R C 1.951 178.300 176.300 0.082 0.000 1.137 87 R CA 2.062 58.218 56.100 0.092 0.000 0.944 87 R CB -0.269 30.152 30.300 0.201 0.000 0.857 87 R HN 0.468 nan 8.270 nan 0.000 0.435 88 E N -0.146 120.099 120.200 0.075 0.000 2.106 88 E HA -0.114 4.237 4.350 0.001 0.000 0.192 88 E C 2.064 178.725 176.600 0.101 0.000 0.984 88 E CA 1.184 57.652 56.400 0.113 0.000 0.806 88 E CB -0.128 29.647 29.700 0.126 0.000 0.750 88 E HN 0.273 nan 8.360 nan 0.000 0.458 89 V N 0.850 120.818 119.914 0.091 0.000 2.453 89 V HA -0.178 3.942 4.120 0.001 0.000 0.247 89 V C 2.338 178.514 176.094 0.137 0.000 1.048 89 V CA 1.661 64.028 62.300 0.113 0.000 1.049 89 V CB -0.343 31.549 31.823 0.115 0.000 0.672 89 V HN 0.211 nan 8.190 nan 0.000 0.457 90 E N 0.238 120.504 120.200 0.111 0.000 2.204 90 E HA -0.216 4.134 4.350 0.001 0.000 0.194 90 E C 2.373 179.075 176.600 0.170 0.000 0.989 90 E CA 0.681 57.153 56.400 0.120 0.000 0.824 90 E CB -0.109 29.632 29.700 0.069 0.000 0.756 90 E HN 0.419 nan 8.360 nan 0.000 0.477 91 R N -0.102 120.478 120.500 0.133 0.000 2.139 91 R HA -0.164 4.177 4.340 0.001 0.000 0.243 91 R C 1.786 178.216 176.300 0.217 0.000 1.145 91 R CA 1.512 57.695 56.100 0.137 0.000 0.976 91 R CB 0.004 30.378 30.300 0.122 0.000 0.866 91 R HN 0.122 nan 8.270 nan 0.000 0.449 92 V N -0.507 119.514 119.914 0.178 0.000 2.283 92 V HA -0.023 4.097 4.120 0.001 0.000 0.239 92 V C 0.460 176.613 176.094 0.099 0.000 1.035 92 V CA 1.595 63.987 62.300 0.153 0.000 1.018 92 V CB -0.249 31.659 31.823 0.143 0.000 0.658 92 V HN 0.366 nan 8.190 nan 0.000 0.459 93 D N -2.824 117.650 120.400 0.123 0.000 2.886 93 D HA 0.314 4.954 4.640 0.001 0.000 0.216 93 D C 0.538 176.838 176.300 -0.000 0.000 1.256 93 D CA -0.025 53.935 54.000 -0.066 0.000 0.844 93 D CB 1.978 42.595 40.800 -0.304 0.000 1.669 93 D HN -0.106 nan 8.370 nan 0.000 0.513 94 S N 1.238 116.931 115.700 -0.013 0.000 2.383 94 S HA -0.069 4.402 4.470 0.001 0.000 0.229 94 S C 1.944 176.537 174.600 -0.012 0.000 1.030 94 S CA 1.355 59.562 58.200 0.012 0.000 1.002 94 S CB -0.244 62.968 63.200 0.021 0.000 0.829 94 S HN 0.651 nan 8.310 nan 0.000 0.467 95 G N -0.039 108.714 108.800 -0.079 0.000 2.418 95 G HA2 -0.201 3.759 3.960 0.001 0.000 0.217 95 G HA3 -0.201 3.759 3.960 0.001 0.000 0.217 95 G C 1.114 175.999 174.900 -0.026 0.000 1.158 95 G CA 0.676 45.727 45.100 -0.081 0.000 0.771 95 G HN 0.587 nan 8.290 nan 0.000 0.545 96 Y N 0.045 120.364 120.300 0.032 0.000 2.145 96 Y HA -0.075 4.476 4.550 0.001 0.000 0.286 96 Y C 3.070 178.971 175.900 0.001 0.000 1.145 96 Y CA 0.982 59.083 58.100 0.003 0.000 1.148 96 Y CB -0.123 38.338 38.460 0.001 0.000 0.981 96 Y HN 0.010 nan 8.280 nan 0.000 0.507 97 R N 0.638 121.233 120.500 0.159 0.000 2.105 97 R HA -0.182 4.158 4.340 0.001 0.000 0.239 97 R C 2.441 178.784 176.300 0.073 0.000 1.135 97 R CA 1.589 57.746 56.100 0.095 0.000 0.967 97 R CB -0.689 29.646 30.300 0.059 0.000 0.861 97 R HN 0.287 nan 8.270 nan 0.000 0.442 98 S N 0.112 115.848 115.700 0.061 0.000 2.382 98 S HA -0.130 4.340 4.470 0.001 0.000 0.228 98 S C 2.087 176.746 174.600 0.098 0.000 1.027 98 S CA 1.343 59.572 58.200 0.047 0.000 0.991 98 S CB -0.058 63.162 63.200 0.034 0.000 0.823 98 S HN 0.365 nan 8.310 nan 0.000 0.469 99 M N 0.292 119.968 119.600 0.126 0.000 2.175 99 M HA -0.005 4.475 4.480 0.001 0.000 0.264 99 M C 2.442 178.861 176.300 0.199 0.000 1.063 99 M CA 1.474 56.887 55.300 0.189 0.000 1.119 99 M CB -0.269 32.384 32.600 0.088 0.000 1.377 99 M HN 0.440 nan 8.290 nan 0.000 0.415 100 M N 0.060 119.722 119.600 0.104 0.000 2.193 100 M HA -0.107 4.374 4.480 0.001 0.000 0.265 100 M C 2.218 178.610 176.300 0.153 0.000 1.071 100 M CA 2.014 57.377 55.300 0.106 0.000 1.140 100 M CB -0.269 32.367 32.600 0.060 0.000 1.369 100 M HN 0.300 nan 8.290 nan 0.000 0.423 101 S N -0.059 115.726 115.700 0.141 0.000 2.423 101 S HA -0.071 4.399 4.470 0.001 0.000 0.231 101 S C 1.814 176.475 174.600 0.102 0.000 1.014 101 S CA 1.188 59.483 58.200 0.158 0.000 0.965 101 S CB -1.279 61.995 63.200 0.123 0.000 0.785 101 S HN 0.368 nan 8.310 nan 0.000 0.495 102 V N 2.081 122.058 119.914 0.105 0.000 2.255 102 V HA -0.205 3.916 4.120 0.001 0.000 0.247 102 V C 3.113 179.276 176.094 0.115 0.000 1.051 102 V CA 2.042 64.405 62.300 0.105 0.000 1.018 102 V CB -0.848 31.071 31.823 0.160 0.000 0.641 102 V HN 0.476 nan 8.190 nan 0.000 0.445 103 Q N -0.191 119.710 119.800 0.169 0.000 2.050 103 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 103 Q C 2.510 178.555 176.000 0.076 0.000 0.980 103 Q CA 2.203 58.095 55.803 0.149 0.000 0.840 103 Q CB -0.420 28.453 28.738 0.225 0.000 0.898 103 Q HN 0.677 nan 8.270 nan 0.000 0.424 104 S N 0.271 116.004 115.700 0.055 0.000 2.325 104 S HA -0.021 4.450 4.470 0.001 0.000 0.214 104 S C 2.141 176.701 174.600 -0.065 0.000 1.031 104 S CA 1.051 59.224 58.200 -0.046 0.000 0.972 104 S CB -0.162 62.976 63.200 -0.103 0.000 0.908 104 S HN 0.224 nan 8.310 nan 0.000 0.453 105 S N 0.846 116.537 115.700 -0.016 0.000 2.446 105 S HA 0.285 4.756 4.470 0.001 0.000 0.225 105 S C 1.550 176.110 174.600 -0.068 0.000 1.016 105 S CA 0.411 58.598 58.200 -0.022 0.000 0.943 105 S CB -0.071 63.173 63.200 0.073 0.000 0.786 105 S HN 0.274 nan 8.310 nan 0.000 0.508 106 L N -0.081 121.088 121.223 -0.091 0.000 2.515 106 L HA 0.224 4.564 4.340 0.001 0.000 0.223 106 L C 1.412 178.355 176.870 0.122 0.000 1.079 106 L CA 0.277 54.979 54.840 -0.231 0.000 0.857 106 L CB 0.176 41.974 42.059 -0.435 0.000 1.050 106 L HN 0.174 nan 8.230 nan 0.000 0.476 107 V N -1.292 118.691 119.914 0.116 0.000 3.001 107 V HA 0.018 4.139 4.120 0.001 0.000 0.228 107 V C 2.080 178.234 176.094 0.100 0.000 1.204 107 V CA 0.466 62.852 62.300 0.143 0.000 1.247 107 V CB 0.155 32.037 31.823 0.098 0.000 1.093 107 V HN 0.140 nan 8.190 nan 0.000 0.504 108 M N 0.083 119.721 119.600 0.063 0.000 2.080 108 M HA -0.177 4.303 4.480 0.001 0.000 0.260 108 M C 2.207 178.536 176.300 0.048 0.000 1.068 108 M CA 1.814 57.139 55.300 0.042 0.000 1.109 108 M CB -0.432 32.166 32.600 -0.005 0.000 1.342 108 M HN 0.240 nan 8.290 nan 0.000 0.405 109 V N 0.905 120.836 119.914 0.028 0.000 2.261 109 V HA -0.181 3.940 4.120 0.001 0.000 0.246 109 V C -0.629 175.471 176.094 0.009 0.000 1.047 109 V CA 2.128 64.447 62.300 0.032 0.000 1.015 109 V CB -1.954 29.866 31.823 -0.006 0.000 0.642 109 V HN 0.305 nan 8.190 nan 0.000 0.446 110 P HA -0.144 nan 4.420 nan 0.000 0.217 110 P C 1.806 179.160 177.300 0.090 0.000 1.150 110 P CA 1.662 64.860 63.100 0.163 0.000 0.832 110 P CB -0.060 31.945 31.700 0.509 0.000 0.787 111 I N -1.572 119.048 120.570 0.084 0.000 2.226 111 I HA -0.232 3.938 4.170 0.001 0.000 0.245 111 I C 2.523 178.653 176.117 0.022 0.000 1.100 111 I CA 1.372 62.704 61.300 0.053 0.000 1.374 111 I CB -0.800 37.236 38.000 0.059 0.000 1.057 111 I HN -0.160 nan 8.210 nan 0.000 0.413 112 F N 1.961 121.826 119.950 -0.141 0.000 2.146 112 F HA -0.206 4.321 4.527 0.001 0.000 0.298 112 F C 2.358 178.051 175.800 -0.180 0.000 1.096 112 F CA 1.861 59.744 58.000 -0.195 0.000 1.275 112 F CB -0.175 38.723 39.000 -0.170 0.000 1.008 112 F HN -0.046 nan 8.300 nan 0.000 0.480 113 E N -1.132 118.811 120.200 -0.428 0.000 2.170 113 E HA -0.018 4.333 4.350 0.001 0.000 0.191 113 E C 1.430 177.763 176.600 -0.445 0.000 0.981 113 E CA 1.152 57.137 56.400 -0.692 0.000 0.830 113 E CB -0.129 28.973 29.700 -0.996 0.000 0.775 113 E HN 0.385 nan 8.360 nan 0.000 0.470 114 F N -1.298 118.651 119.950 -0.000 0.000 2.746 114 F HA 0.406 4.933 4.527 0.001 0.000 0.313 114 F C 1.165 176.967 175.800 0.004 0.000 1.095 114 F CA 0.080 58.109 58.000 0.049 0.000 1.224 114 F CB -0.139 38.915 39.000 0.091 0.000 1.060 114 F HN -0.102 nan 8.300 nan 0.000 0.584 115 G N 0.347 109.213 108.800 0.110 0.000 2.562 115 G HA2 0.389 4.350 3.960 0.001 0.000 0.275 115 G HA3 0.389 4.350 3.960 0.001 0.000 0.275 115 G C -0.019 174.908 174.900 0.045 0.000 1.196 115 G CA -0.205 44.915 45.100 0.034 0.000 0.908 115 G HN 0.189 nan 8.290 nan 0.000 0.524 116 S N -0.200 115.505 115.700 0.008 0.000 2.617 116 S HA 0.155 4.625 4.470 0.001 0.000 0.269 116 S C 0.827 175.465 174.600 0.064 0.000 1.292 116 S CA -0.200 58.030 58.200 0.049 0.000 1.010 116 S CB 1.383 64.593 63.200 0.018 0.000 0.944 116 S HN 0.524 nan 8.310 nan 0.000 0.536 117 D N 2.053 122.508 120.400 0.092 0.000 2.160 117 D HA -0.224 4.417 4.640 0.001 0.000 0.189 117 D C 2.228 178.583 176.300 0.090 0.000 1.003 117 D CA 2.252 56.314 54.000 0.103 0.000 0.846 117 D CB -0.952 39.916 40.800 0.112 0.000 0.949 117 D HN 0.774 nan 8.370 nan 0.000 0.446 118 A N 0.562 123.428 122.820 0.077 0.000 1.933 118 A HA -0.249 4.072 4.320 0.001 0.000 0.218 118 A C 2.194 179.818 177.584 0.067 0.000 1.175 118 A CA 1.815 53.891 52.037 0.065 0.000 0.628 118 A CB -0.627 18.407 19.000 0.056 0.000 0.814 118 A HN 0.284 nan 8.150 nan 0.000 0.444 119 Q N -0.355 119.502 119.800 0.095 0.000 2.046 119 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 119 Q C 2.065 178.164 176.000 0.165 0.000 0.975 119 Q CA 1.600 57.516 55.803 0.189 0.000 0.836 119 Q CB -0.186 28.662 28.738 0.183 0.000 0.896 119 Q HN 0.620 nan 8.270 nan 0.000 0.428 120 K N 0.729 121.148 120.400 0.031 0.000 2.113 120 K HA -0.217 4.103 4.320 0.001 0.000 0.208 120 K C 1.867 178.434 176.600 -0.055 0.000 1.047 120 K CA 1.531 57.732 56.287 -0.143 0.000 0.928 120 K CB -0.047 32.175 32.500 -0.464 0.000 0.716 120 K HN 0.294 nan 8.250 nan 0.000 0.446 121 E N 0.454 120.694 120.200 0.067 0.000 2.112 121 E HA -0.108 4.242 4.350 0.001 0.000 0.190 121 E C 1.994 178.605 176.600 0.018 0.000 0.979 121 E CA 0.648 57.121 56.400 0.122 0.000 0.814 121 E CB 0.150 29.922 29.700 0.121 0.000 0.762 121 E HN 0.180 nan 8.360 nan 0.000 0.460 122 K N -0.048 120.322 120.400 -0.050 0.000 2.116 122 K HA -0.108 4.212 4.320 0.001 0.000 0.203 122 K C 1.308 177.770 176.600 -0.229 0.000 1.052 122 K CA 1.141 57.302 56.287 -0.211 0.000 0.952 122 K CB 0.159 32.428 32.500 -0.384 0.000 0.729 122 K HN 0.113 nan 8.250 nan 0.000 0.446 123 Y N 0.362 120.762 120.300 0.166 0.000 2.464 123 Y HA 0.091 4.642 4.550 0.001 0.000 0.288 123 Y C 1.986 177.952 175.900 0.111 0.000 1.133 123 Y CA 0.155 58.408 58.100 0.254 0.000 1.223 123 Y CB -0.193 38.411 38.460 0.241 0.000 1.187 123 Y HN -0.121 nan 8.280 nan 0.000 0.539 124 L N 0.306 121.640 121.223 0.184 0.000 1.971 124 L HA -0.193 4.148 4.340 0.001 0.000 0.215 124 L C -0.485 176.413 176.870 0.047 0.000 1.072 124 L CA 1.696 56.594 54.840 0.097 0.000 0.758 124 L CB -1.836 40.246 42.059 0.037 0.000 0.889 124 L HN 0.154 nan 8.230 nan 0.000 0.433 125 P HA -0.200 nan 4.420 nan 0.000 0.215 125 P C 1.369 178.597 177.300 -0.120 0.000 1.157 125 P CA 1.546 64.621 63.100 -0.041 0.000 0.874 125 P CB 0.012 31.675 31.700 -0.060 0.000 0.790 126 K N -0.949 119.309 120.400 -0.237 0.000 2.155 126 K HA 0.001 4.321 4.320 0.001 0.000 0.203 126 K C 2.086 178.607 176.600 -0.132 0.000 1.052 126 K CA 0.853 56.910 56.287 -0.383 0.000 0.948 126 K CB -0.564 31.292 32.500 -1.073 0.000 0.728 126 K HN 0.147 nan 8.250 nan 0.000 0.448 127 L N 0.545 121.787 121.223 0.032 0.000 2.046 127 L HA -0.201 4.140 4.340 0.001 0.000 0.208 127 L C 2.576 179.478 176.870 0.054 0.000 1.077 127 L CA 1.237 56.145 54.840 0.113 0.000 0.747 127 L CB -0.603 41.549 42.059 0.154 0.000 0.896 127 L HN 0.182 nan 8.230 nan 0.000 0.432 128 A N 0.106 122.933 122.820 0.011 0.000 1.908 128 A HA -0.241 4.080 4.320 0.001 0.000 0.218 128 A C 2.372 179.946 177.584 -0.017 0.000 1.181 128 A CA 2.409 54.438 52.037 -0.013 0.000 0.627 128 A CB -1.005 17.977 19.000 -0.031 0.000 0.818 128 A HN 0.534 nan 8.150 nan 0.000 0.445 129 T N -4.323 110.213 114.554 -0.030 0.000 3.088 129 T HA 0.362 4.713 4.350 0.001 0.000 0.259 129 T C 1.452 176.158 174.700 0.010 0.000 1.122 129 T CA 1.125 63.206 62.100 -0.031 0.000 1.095 129 T CB -0.161 68.670 68.868 -0.061 0.000 0.930 129 T HN 1.781 nan 8.240 nan 0.000 0.508 130 G N 1.434 110.264 108.800 0.051 0.000 2.148 130 G HA2 -0.349 3.612 3.960 0.001 0.000 0.254 130 G HA3 -0.349 3.612 3.960 0.001 0.000 0.254 130 G C 0.524 175.490 174.900 0.110 0.000 0.981 130 G CA 0.699 45.879 45.100 0.132 0.000 0.670 130 G HN 0.653 nan 8.290 nan 0.000 0.528 131 E N -1.329 118.894 120.200 0.038 0.000 2.077 131 E HA -0.070 4.281 4.350 0.001 0.000 0.193 131 E C 0.519 177.238 176.600 0.198 0.000 0.989 131 E CA 0.794 57.215 56.400 0.034 0.000 0.800 131 E CB 0.047 29.675 29.700 -0.120 0.000 0.746 131 E HN 0.485 nan 8.360 nan 0.000 0.452 132 W N 0.733 122.029 121.300 -0.007 0.000 2.478 132 W HA 0.469 5.130 4.660 0.001 0.000 0.318 132 W C -0.349 176.098 176.519 -0.120 0.000 1.062 132 W CA -1.150 56.173 57.345 -0.037 0.000 1.210 132 W CB 0.495 29.970 29.460 0.025 0.000 1.325 132 W HN -0.039 nan 8.180 nan 0.000 0.496 133 I N 2.645 123.196 120.570 -0.032 0.000 2.437 133 I HA 0.646 4.817 4.170 0.001 0.000 0.298 133 I C 0.884 176.839 176.117 -0.270 0.000 0.984 133 I CA -0.494 60.586 61.300 -0.366 0.000 1.214 133 I CB 1.322 38.895 38.000 -0.711 0.000 1.365 133 I HN 0.412 nan 8.210 nan 0.000 0.469 134 G N 3.697 112.356 108.800 -0.235 0.000 2.498 134 G HA2 0.667 4.627 3.960 0.001 0.000 0.312 134 G HA3 0.667 4.627 3.960 0.001 0.000 0.312 134 G C -1.119 173.675 174.900 -0.176 0.000 1.230 134 G CA -0.526 44.461 45.100 -0.188 0.000 0.968 134 G HN 0.888 nan 8.290 nan 0.000 0.481 135 C N -0.835 118.337 119.300 -0.214 0.000 3.080 135 C HA 0.872 5.333 4.460 0.001 0.000 0.307 135 C C -1.099 173.965 174.990 0.125 0.000 1.311 135 C CA -1.476 57.504 59.018 -0.065 0.000 1.533 135 C CB 0.956 28.582 27.740 -0.190 0.000 1.970 135 C HN 0.695 nan 8.230 nan 0.000 0.467 136 F N 1.403 121.403 119.950 0.082 0.000 2.460 136 F HA 0.636 5.163 4.527 0.001 0.000 0.341 136 F C 0.419 176.367 175.800 0.246 0.000 1.130 136 F CA -0.042 58.076 58.000 0.196 0.000 0.962 136 F CB 1.370 40.509 39.000 0.231 0.000 1.171 136 F HN 1.075 nan 8.300 nan 0.000 0.436 137 G N 6.838 115.584 108.800 -0.090 0.000 2.716 137 G HA2 0.428 4.388 3.960 0.001 0.000 0.333 137 G HA3 0.428 4.388 3.960 0.001 0.000 0.333 137 G C -0.522 174.326 174.900 -0.087 0.000 1.168 137 G CA -0.264 44.821 45.100 -0.024 0.000 1.064 137 G HN 0.742 nan 8.290 nan 0.000 0.479 138 L N 2.208 123.375 121.223 -0.093 0.000 2.666 138 L HA 0.400 4.741 4.340 0.001 0.000 0.184 138 L C 1.327 178.245 176.870 0.080 0.000 1.092 138 L CA 0.645 55.475 54.840 -0.017 0.000 0.857 138 L CB -0.182 41.809 42.059 -0.114 0.000 1.281 138 L HN 0.259 nan 8.230 nan 0.000 0.489 139 T N 2.565 117.204 114.554 0.141 0.000 2.765 139 T HA 0.026 4.377 4.350 0.001 0.000 0.275 139 T C -0.015 174.750 174.700 0.108 0.000 1.007 139 T CA 0.507 62.691 62.100 0.140 0.000 1.175 139 T CB -0.319 68.664 68.868 0.192 0.000 0.993 139 T HN 0.323 nan 8.240 nan 0.000 0.510 140 E N 3.161 123.411 120.200 0.083 0.000 2.243 140 E HA 0.358 4.709 4.350 0.001 0.000 0.260 140 E C -2.358 174.282 176.600 0.068 0.000 0.985 140 E CA -2.477 53.960 56.400 0.061 0.000 0.858 140 E CB 0.543 30.268 29.700 0.041 0.000 1.210 140 E HN 0.336 nan 8.360 nan 0.000 0.411 141 P HA -0.056 nan 4.420 nan 0.000 0.264 141 P C -0.711 176.617 177.300 0.046 0.000 1.193 141 P CA -0.072 63.055 63.100 0.044 0.000 0.763 141 P CB 0.091 31.796 31.700 0.008 0.000 0.810 149 S N 2.345 118.055 115.700 0.016 0.000 2.665 149 S HA 0.525 4.996 4.470 0.001 0.000 0.230 149 S C 0.835 175.447 174.600 0.021 0.000 1.326 149 S CA -0.702 57.507 58.200 0.015 0.000 1.055 149 S CB -0.521 62.683 63.200 0.006 0.000 1.178 149 S HN 0.449 nan 8.310 nan 0.000 0.489 150 M N 2.957 122.576 119.600 0.031 0.000 2.228 150 M HA 0.355 4.835 4.480 0.001 0.000 0.326 150 M C 1.105 177.421 176.300 0.027 0.000 1.122 150 M CA -0.317 55.004 55.300 0.035 0.000 1.161 150 M CB 0.664 33.296 32.600 0.053 0.000 1.437 150 M HN 0.230 nan 8.290 nan 0.000 0.465 151 V N -2.293 117.632 119.914 0.020 0.000 3.431 151 V HA 0.111 4.231 4.120 0.001 0.000 0.253 151 V C 0.906 177.003 176.094 0.004 0.000 1.184 151 V CA 0.153 62.460 62.300 0.011 0.000 1.104 151 V CB -0.483 31.343 31.823 0.005 0.000 0.799 151 V HN 0.941 nan 8.190 nan 0.000 0.462 152 T N 3.490 118.047 114.554 0.005 0.000 2.866 152 T HA 0.220 4.570 4.350 0.001 0.000 0.293 152 T C -0.034 174.655 174.700 -0.018 0.000 1.005 152 T CA 0.756 62.847 62.100 -0.014 0.000 1.162 152 T CB -0.010 68.851 68.868 -0.011 0.000 0.968 152 T HN 0.690 nan 8.240 nan 0.000 0.530 153 R N 1.528 121.997 120.500 -0.051 0.000 2.686 153 R HA 0.646 4.986 4.340 0.001 0.000 0.283 153 R C -1.325 174.903 176.300 -0.119 0.000 0.978 153 R CA -0.759 55.311 56.100 -0.051 0.000 0.897 153 R CB 1.316 31.604 30.300 -0.021 0.000 1.192 153 R HN 0.654 nan 8.270 nan 0.000 0.457 154 A N 4.202 126.940 122.820 -0.138 0.000 2.292 154 A HA 0.584 4.905 4.320 0.001 0.000 0.319 154 A C -0.722 176.861 177.584 -0.000 0.000 1.206 154 A CA -0.867 51.054 52.037 -0.195 0.000 0.835 154 A CB 0.632 19.364 19.000 -0.446 0.000 1.164 154 A HN 0.881 nan 8.150 nan 0.000 0.505 155 R N 1.666 122.190 120.500 0.040 0.000 2.740 155 R HA 0.649 4.990 4.340 0.001 0.000 0.282 155 R C -0.629 175.762 176.300 0.150 0.000 0.969 155 R CA -0.918 55.240 56.100 0.096 0.000 0.918 155 R CB 1.443 31.770 30.300 0.046 0.000 1.175 155 R HN 0.500 nan 8.270 nan 0.000 0.464 156 K N 1.430 121.910 120.400 0.134 0.000 2.401 156 K HA 0.207 4.527 4.320 0.001 0.000 0.278 156 K C -0.311 176.282 176.600 -0.011 0.000 1.018 156 K CA -0.107 56.195 56.287 0.026 0.000 0.981 156 K CB 0.835 33.341 32.500 0.010 0.000 0.933 156 K HN 0.569 nan 8.250 nan 0.000 0.477 157 V N 0.993 120.874 119.914 -0.055 0.000 3.206 157 V HA 0.513 4.634 4.120 0.001 0.000 0.305 157 V C -2.723 173.364 176.094 -0.012 0.000 1.257 157 V CA -2.552 59.746 62.300 -0.003 0.000 1.057 157 V CB 1.509 33.369 31.823 0.062 0.000 1.075 157 V HN 0.611 nan 8.190 nan 0.000 0.443 158 P HA 0.176 nan 4.420 nan 0.000 0.227 158 P C 0.823 178.157 177.300 0.056 0.000 1.036 158 P CA 2.161 65.250 63.100 -0.017 0.000 1.080 158 P CB -0.520 31.144 31.700 -0.061 0.000 1.046 159 G N 2.694 111.517 108.800 0.039 0.000 2.314 159 G HA2 -0.068 3.892 3.960 0.001 0.000 0.292 159 G HA3 -0.068 3.892 3.960 0.001 0.000 0.292 159 G C 0.617 175.636 174.900 0.199 0.000 1.059 159 G CA -0.043 45.107 45.100 0.084 0.000 0.982 159 G HN 0.865 nan 8.290 nan 0.000 0.505 160 G N -1.515 107.283 108.800 -0.003 0.000 4.657 160 G HA2 0.468 4.429 3.960 0.001 0.000 0.213 160 G HA3 0.468 4.429 3.960 0.001 0.000 0.213 160 G C -0.300 174.183 174.900 -0.694 0.000 0.912 160 G CA 0.031 44.951 45.100 -0.300 0.000 0.815 160 G HN 0.687 nan 8.290 nan 0.000 0.384 161 Y N 0.144 120.442 120.300 -0.003 0.000 2.534 161 Y HA 0.761 5.311 4.550 0.001 0.000 0.345 161 Y C -0.098 175.761 175.900 -0.069 0.000 1.031 161 Y CA -1.291 56.780 58.100 -0.049 0.000 1.022 161 Y CB 2.347 40.762 38.460 -0.075 0.000 1.292 161 Y HN 0.014 nan 8.280 nan 0.000 0.459 162 S N 2.590 118.349 115.700 0.098 0.000 2.605 162 S HA 0.740 5.210 4.470 0.001 0.000 0.308 162 S C -1.774 172.774 174.600 -0.086 0.000 1.113 162 S CA -0.420 57.802 58.200 0.036 0.000 1.049 162 S CB 0.325 63.566 63.200 0.068 0.000 1.001 162 S HN 0.520 nan 8.310 nan 0.000 0.480 163 L N 4.026 125.160 121.223 -0.148 0.000 2.313 163 L HA 0.623 4.964 4.340 0.001 0.000 0.283 163 L C -0.232 176.554 176.870 -0.141 0.000 1.013 163 L CA 0.151 54.859 54.840 -0.220 0.000 0.816 163 L CB 1.919 43.770 42.059 -0.348 0.000 1.236 163 L HN 0.647 nan 8.230 nan 0.000 0.419 164 S N 1.456 117.086 115.700 -0.118 0.000 2.532 164 S HA 0.966 5.437 4.470 0.001 0.000 0.299 164 S C -0.114 174.440 174.600 -0.076 0.000 1.105 164 S CA -0.350 57.799 58.200 -0.084 0.000 1.018 164 S CB 1.882 65.047 63.200 -0.058 0.000 1.021 164 S HN 0.969 nan 8.310 nan 0.000 0.483 165 G N 1.152 109.912 108.800 -0.067 0.000 2.327 165 G HA2 0.475 4.435 3.960 0.001 0.000 0.291 165 G HA3 0.475 4.435 3.960 0.001 0.000 0.291 165 G C -1.669 173.203 174.900 -0.047 0.000 1.290 165 G CA -0.564 44.506 45.100 -0.051 0.000 0.857 165 G HN 0.660 nan 8.290 nan 0.000 0.520 166 S N -0.218 115.463 115.700 -0.032 0.000 2.548 166 S HA 0.738 5.209 4.470 0.001 0.000 0.276 166 S C -1.080 173.515 174.600 -0.008 0.000 1.129 166 S CA -0.765 57.419 58.200 -0.028 0.000 0.931 166 S CB 1.762 64.942 63.200 -0.033 0.000 1.068 166 S HN 0.561 nan 8.310 nan 0.000 0.480 167 K N 2.217 122.617 120.400 -0.000 0.000 2.397 167 K HA 0.539 4.859 4.320 0.001 0.000 0.253 167 K C -0.951 175.661 176.600 0.019 0.000 0.932 167 K CA -0.718 55.589 56.287 0.032 0.000 0.795 167 K CB 1.940 34.474 32.500 0.057 0.000 1.159 167 K HN 0.540 nan 8.250 nan 0.000 0.424 168 M N 1.036 120.654 119.600 0.030 0.000 2.578 168 M HA 0.359 4.839 4.480 0.001 0.000 0.321 168 M C -1.178 175.178 176.300 0.092 0.000 1.182 168 M CA -0.103 55.156 55.300 -0.069 0.000 0.965 168 M CB 0.692 33.215 32.600 -0.128 0.000 1.694 168 M HN 0.592 nan 8.290 nan 0.000 0.461 169 W N 4.118 125.458 121.300 0.066 0.000 5.820 169 W HA -0.158 4.503 4.660 0.001 0.000 0.415 169 W C -1.023 175.592 176.519 0.160 0.000 1.627 169 W CA -0.282 57.122 57.345 0.099 0.000 0.991 169 W CB -1.653 27.855 29.460 0.079 0.000 2.842 169 W HN 0.310 nan 8.180 nan 0.000 1.416 170 I N 1.314 122.052 120.570 0.281 0.000 2.330 170 I HA 0.192 4.362 4.170 0.001 0.000 0.289 170 I C 1.037 177.293 176.117 0.231 0.000 1.001 170 I CA -0.503 60.955 61.300 0.264 0.000 1.193 170 I CB 0.646 38.764 38.000 0.197 0.000 1.345 170 I HN 0.051 nan 8.210 nan 0.000 0.461 171 T N 4.976 119.684 114.554 0.257 0.000 2.884 171 T HA 0.218 4.569 4.350 0.001 0.000 0.298 171 T C 0.968 175.764 174.700 0.161 0.000 0.998 171 T CA 0.210 62.438 62.100 0.214 0.000 1.124 171 T CB 0.449 69.448 68.868 0.217 0.000 0.931 171 T HN 0.664 nan 8.240 nan 0.000 0.531 172 N N 1.206 119.993 118.700 0.145 0.000 2.924 172 N HA -0.270 4.471 4.740 0.001 0.000 0.210 172 N C 1.513 177.008 175.510 -0.026 0.000 0.902 172 N CA 2.030 55.126 53.050 0.076 0.000 1.061 172 N CB -2.026 36.478 38.487 0.028 0.000 0.985 172 N HN 0.878 nan 8.380 nan 0.000 0.600 173 S N 0.810 116.505 115.700 -0.008 0.000 2.378 173 S HA -0.121 4.349 4.470 0.001 0.000 0.229 173 S C -0.877 173.725 174.600 0.003 0.000 1.052 173 S CA 1.930 60.103 58.200 -0.045 0.000 1.084 173 S CB -1.327 61.931 63.200 0.096 0.000 0.950 173 S HN 0.275 nan 8.310 nan 0.000 0.440 174 P HA 0.075 nan 4.420 nan 0.000 0.231 174 P C 1.133 178.458 177.300 0.042 0.000 1.158 174 P CA 0.973 64.106 63.100 0.055 0.000 0.763 174 P CB -0.360 31.366 31.700 0.043 0.000 0.805 175 I N -7.161 113.407 120.570 -0.004 0.000 4.338 175 I HA 0.445 4.616 4.170 0.001 0.000 0.329 175 I C 0.408 176.453 176.117 -0.121 0.000 1.378 175 I CA -0.724 60.561 61.300 -0.025 0.000 1.170 175 I CB 0.141 38.149 38.000 0.013 0.000 1.206 175 I HN -0.315 nan 8.210 nan 0.000 0.432 176 A N 1.727 124.415 122.820 -0.219 0.000 2.440 176 A HA 0.190 4.510 4.320 0.001 0.000 0.251 176 A C 0.671 178.079 177.584 -0.293 0.000 1.089 176 A CA 0.012 51.809 52.037 -0.400 0.000 0.779 176 A CB 0.137 18.664 19.000 -0.789 0.000 1.022 176 A HN 0.388 nan 8.150 nan 0.000 0.492 177 D N 0.868 121.107 120.400 -0.268 0.000 2.213 177 D HA 0.057 4.698 4.640 0.001 0.000 0.205 177 D C 0.103 176.260 176.300 -0.239 0.000 0.961 177 D CA 1.292 55.136 54.000 -0.260 0.000 0.853 177 D CB 0.314 40.849 40.800 -0.441 0.000 0.967 177 D HN 0.285 nan 8.370 nan 0.000 0.496 178 V N 0.699 120.445 119.914 -0.281 0.000 2.735 178 V HA 0.377 4.498 4.120 0.001 0.000 0.310 178 V C -0.973 174.957 176.094 -0.275 0.000 1.061 178 V CA -0.749 61.443 62.300 -0.180 0.000 0.913 178 V CB 2.222 33.945 31.823 -0.167 0.000 1.005 178 V HN -0.114 nan 8.190 nan 0.000 0.428 179 F N 2.340 122.184 119.950 -0.176 0.000 2.499 179 F HA 0.540 5.068 4.527 0.001 0.000 0.333 179 F C -0.130 175.574 175.800 -0.160 0.000 1.138 179 F CA -0.871 57.055 58.000 -0.123 0.000 0.945 179 F CB 2.057 40.986 39.000 -0.117 0.000 1.181 179 F HN 0.169 nan 8.300 nan 0.000 0.435 180 V N 5.127 125.055 119.914 0.023 0.000 2.348 180 V HA 0.405 4.526 4.120 0.001 0.000 0.270 180 V C -0.185 175.768 176.094 -0.235 0.000 1.037 180 V CA -0.575 61.659 62.300 -0.111 0.000 0.872 180 V CB 0.950 32.785 31.823 0.020 0.000 1.002 180 V HN 0.480 nan 8.190 nan 0.000 0.464 181 V N 4.310 124.018 119.914 -0.344 0.000 2.628 181 V HA 0.537 4.658 4.120 0.001 0.000 0.306 181 V C -0.920 174.921 176.094 -0.422 0.000 1.045 181 V CA -0.843 61.291 62.300 -0.277 0.000 0.905 181 V CB 2.131 33.900 31.823 -0.091 0.000 0.997 181 V HN 0.888 nan 8.190 nan 0.000 0.436 182 W N 2.697 123.978 121.300 -0.031 0.000 2.529 182 W HA 0.817 5.477 4.660 0.001 0.000 0.321 182 W C 0.041 176.596 176.519 0.060 0.000 1.047 182 W CA -0.250 57.107 57.345 0.021 0.000 1.216 182 W CB 1.885 31.300 29.460 -0.075 0.000 1.357 182 W HN 0.756 nan 8.180 nan 0.000 0.489 183 A N 2.621 125.660 122.820 0.364 0.000 2.594 183 A HA 0.708 5.029 4.320 0.001 0.000 0.291 183 A C -1.086 176.640 177.584 0.237 0.000 1.105 183 A CA -1.195 50.969 52.037 0.211 0.000 0.694 183 A CB 1.529 20.533 19.000 0.005 0.000 1.291 183 A HN 0.495 nan 8.150 nan 0.000 0.410 184 K N 0.040 120.516 120.400 0.126 0.000 2.174 184 K HA 0.654 4.974 4.320 0.001 0.000 0.275 184 K C -1.320 175.339 176.600 0.099 0.000 1.015 184 K CA -0.343 56.007 56.287 0.105 0.000 0.933 184 K CB 1.635 34.173 32.500 0.064 0.000 1.025 184 K HN 0.611 nan 8.250 nan 0.000 0.463 185 L N 1.522 122.806 121.223 0.101 0.000 2.556 185 L HA 0.341 4.682 4.340 0.001 0.000 0.257 185 L C -1.979 174.939 176.870 0.079 0.000 0.955 185 L CA -0.451 54.451 54.840 0.104 0.000 0.850 185 L CB 2.169 44.320 42.059 0.153 0.000 1.398 185 L HN 0.730 nan 8.230 nan 0.000 0.412 186 D N 2.026 122.473 120.400 0.079 0.000 2.493 186 D HA 0.727 5.368 4.640 0.001 0.000 0.239 186 D C -1.327 175.012 176.300 0.065 0.000 1.049 186 D CA -0.393 53.643 54.000 0.060 0.000 1.008 186 D CB 2.122 42.948 40.800 0.045 0.000 1.398 186 D HN 0.713 nan 8.370 nan 0.000 0.513 192 E N 1.815 122.035 120.200 0.034 0.000 2.187 192 E HA 0.502 4.852 4.350 0.001 0.000 0.268 192 E C 0.136 176.766 176.600 0.049 0.000 0.896 192 E CA -0.816 55.601 56.400 0.027 0.000 0.766 192 E CB 2.318 32.025 29.700 0.012 0.000 1.142 192 E HN 0.318 nan 8.360 nan 0.000 0.408 193 I N 3.797 124.399 120.570 0.055 0.000 2.668 193 I HA 0.032 4.203 4.170 0.001 0.000 0.285 193 I C 0.335 176.527 176.117 0.124 0.000 1.168 193 I CA 0.362 61.728 61.300 0.110 0.000 1.424 193 I CB 0.002 38.057 38.000 0.092 0.000 1.377 193 I HN 0.242 nan 8.210 nan 0.000 0.560 194 R N 4.448 125.043 120.500 0.158 0.000 2.795 194 R HA 0.592 4.933 4.340 0.001 0.000 0.275 194 R C -0.365 175.793 176.300 -0.236 0.000 0.981 194 R CA -1.022 55.023 56.100 -0.091 0.000 0.917 194 R CB 1.794 31.852 30.300 -0.404 0.000 1.202 194 R HN 0.721 nan 8.270 nan 0.000 0.469 195 G N 1.326 109.710 108.800 -0.693 0.000 2.343 195 G HA2 0.627 4.587 3.960 0.001 0.000 0.319 195 G HA3 0.627 4.587 3.960 0.001 0.000 0.319 195 G C -1.071 173.161 174.900 -1.114 0.000 1.126 195 G CA -0.245 44.122 45.100 -1.223 0.000 0.889 195 G HN 0.249 nan 8.290 nan 0.000 0.457 196 F N 0.879 120.483 119.950 -0.577 0.000 2.532 196 F HA 0.530 5.057 4.527 0.001 0.000 0.321 196 F C 0.301 175.891 175.800 -0.349 0.000 1.089 196 F CA -0.895 56.868 58.000 -0.396 0.000 0.926 196 F CB 2.466 41.262 39.000 -0.339 0.000 1.168 196 F HN 0.176 nan 8.300 nan 0.000 0.459 197 I N 4.387 124.889 120.570 -0.113 0.000 2.328 197 I HA 0.355 4.526 4.170 0.001 0.000 0.287 197 I C -0.996 175.053 176.117 -0.113 0.000 1.012 197 I CA -0.443 60.750 61.300 -0.178 0.000 1.195 197 I CB 1.006 38.825 38.000 -0.302 0.000 1.350 197 I HN 0.340 nan 8.210 nan 0.000 0.464 198 L N 6.590 127.764 121.223 -0.081 0.000 2.330 198 L HA 0.515 4.856 4.340 0.001 0.000 0.271 198 L C -0.046 176.822 176.870 -0.004 0.000 1.013 198 L CA -0.366 54.418 54.840 -0.093 0.000 0.816 198 L CB 1.489 43.417 42.059 -0.218 0.000 1.287 198 L HN 0.503 nan 8.230 nan 0.000 0.435 199 E N 0.735 120.913 120.200 -0.037 0.000 2.244 199 E HA 0.345 4.695 4.350 0.001 0.000 0.266 199 E C -1.039 175.558 176.600 -0.005 0.000 0.914 199 E CA -1.134 55.270 56.400 0.007 0.000 0.794 199 E CB 2.143 31.811 29.700 -0.052 0.000 1.210 199 E HN 0.322 nan 8.360 nan 0.000 0.414 200 K N 0.169 120.622 120.400 0.088 0.000 2.494 200 K HA 0.004 4.325 4.320 0.001 0.000 0.273 200 K C 0.720 177.313 176.600 -0.012 0.000 0.970 200 K CA 1.246 57.589 56.287 0.093 0.000 0.963 200 K CB 0.114 32.666 32.500 0.086 0.000 0.913 200 K HN 0.767 nan 8.250 nan 0.000 0.502 201 G N 1.805 110.593 108.800 -0.019 0.000 2.203 201 G HA2 -0.305 3.656 3.960 0.001 0.000 0.263 201 G HA3 -0.305 3.656 3.960 0.001 0.000 0.263 201 G C 0.120 174.996 174.900 -0.041 0.000 1.012 201 G CA 0.386 45.471 45.100 -0.025 0.000 0.749 201 G HN 0.758 nan 8.290 nan 0.000 0.512 202 C N 0.491 119.745 119.300 -0.077 0.000 2.401 202 C HA 0.663 5.124 4.460 0.001 0.000 0.365 202 C C 1.235 176.184 174.990 -0.068 0.000 1.250 202 C CA -1.353 57.626 59.018 -0.066 0.000 2.131 202 C CB 0.538 28.221 27.740 -0.094 0.000 2.445 202 C HN 0.466 nan 8.230 nan 0.000 0.550 203 K N 3.108 123.493 120.400 -0.025 0.000 2.504 203 K HA 0.248 4.569 4.320 0.001 0.000 0.278 203 K C 1.360 177.935 176.600 -0.040 0.000 1.025 203 K CA 1.655 57.928 56.287 -0.023 0.000 1.093 203 K CB 0.071 32.572 32.500 0.002 0.000 0.873 203 K HN 1.379 nan 8.250 nan 0.000 0.483 204 G N 2.419 111.187 108.800 -0.054 0.000 2.179 204 G HA2 -0.267 3.693 3.960 0.001 0.000 0.260 204 G HA3 -0.267 3.693 3.960 0.001 0.000 0.260 204 G C -0.328 174.508 174.900 -0.107 0.000 0.977 204 G CA 0.311 45.370 45.100 -0.067 0.000 0.641 204 G HN 0.507 nan 8.290 nan 0.000 0.533 205 L N 2.010 123.148 121.223 -0.142 0.000 2.287 205 L HA 0.848 5.189 4.340 0.001 0.000 0.287 205 L C 0.163 176.926 176.870 -0.178 0.000 1.022 205 L CA -0.338 54.368 54.840 -0.223 0.000 0.814 205 L CB 1.659 43.497 42.059 -0.368 0.000 1.217 205 L HN 0.773 nan 8.230 nan 0.000 0.420 206 S N 3.474 119.087 115.700 -0.145 0.000 2.661 206 S HA 0.968 5.439 4.470 0.001 0.000 0.285 206 S C -0.564 174.012 174.600 -0.039 0.000 1.138 206 S CA -0.259 57.895 58.200 -0.077 0.000 0.855 206 S CB 1.849 65.020 63.200 -0.049 0.000 1.136 206 S HN 1.342 nan 8.310 nan 0.000 0.484 207 A N 1.748 124.582 122.820 0.024 0.000 3.300 207 A HA 0.597 4.917 4.320 0.001 0.000 0.300 207 A C -2.985 174.622 177.584 0.038 0.000 1.099 207 A CA -1.170 50.914 52.037 0.077 0.000 0.846 207 A CB 0.204 19.337 19.000 0.221 0.000 1.255 207 A HN 0.622 nan 8.150 nan 0.000 0.519 208 P HA 0.385 nan 4.420 nan 0.000 0.271 208 P C 0.370 177.633 177.300 -0.062 0.000 1.216 208 P CA 0.276 63.362 63.100 -0.023 0.000 0.771 208 P CB 1.242 32.920 31.700 -0.036 0.000 0.864 209 A N 3.959 126.728 122.820 -0.085 0.000 2.386 209 A HA 0.391 4.712 4.320 0.001 0.000 0.246 209 A C 0.269 177.649 177.584 -0.341 0.000 1.089 209 A CA -0.266 51.651 52.037 -0.199 0.000 0.790 209 A CB -0.290 18.569 19.000 -0.234 0.000 1.042 209 A HN 0.537 nan 8.150 nan 0.000 0.497 210 I N 0.702 121.046 120.570 -0.377 0.000 2.406 210 I HA 0.389 4.559 4.170 0.001 0.000 0.290 210 I C -0.344 175.558 176.117 -0.360 0.000 0.999 210 I CA -0.156 60.944 61.300 -0.333 0.000 1.124 210 I CB 1.642 39.497 38.000 -0.240 0.000 1.289 210 I HN 0.784 nan 8.210 nan 0.000 0.441 211 H N 2.722 121.809 119.070 0.028 0.000 2.737 211 H HA 0.653 5.209 4.556 0.001 0.000 0.358 211 H C 0.668 176.025 175.328 0.049 0.000 1.187 211 H CA -0.393 55.678 56.048 0.039 0.000 1.221 211 H CB 1.833 31.609 29.762 0.023 0.000 1.799 211 H HN 0.790 nan 8.280 nan 0.000 0.568 212 G N 0.921 109.824 108.800 0.172 0.000 2.149 212 G HA2 -0.270 3.690 3.960 0.001 0.000 0.235 212 G HA3 -0.270 3.690 3.960 0.001 0.000 0.235 212 G C -0.187 174.775 174.900 0.103 0.000 1.018 212 G CA -0.309 44.854 45.100 0.105 0.000 0.728 212 G HN 0.459 nan 8.290 nan 0.000 0.508 213 K N -0.339 120.124 120.400 0.105 0.000 2.295 213 K HA 0.411 4.732 4.320 0.001 0.000 0.270 213 K C 1.578 178.190 176.600 0.020 0.000 1.011 213 K CA -0.088 56.259 56.287 0.101 0.000 0.953 213 K CB 1.611 34.178 32.500 0.113 0.000 0.956 213 K HN 0.011 nan 8.250 nan 0.000 0.477 214 V N 1.521 121.456 119.914 0.035 0.000 2.379 214 V HA -0.046 4.074 4.120 0.001 0.000 0.243 214 V C 1.130 177.271 176.094 0.079 0.000 1.035 214 V CA 1.659 63.982 62.300 0.037 0.000 1.035 214 V CB -0.106 31.744 31.823 0.046 0.000 0.673 214 V HN 0.948 nan 8.190 nan 0.000 0.457 215 G N -1.960 106.888 108.800 0.081 0.000 2.735 215 G HA2 0.535 4.496 3.960 0.001 0.000 0.301 215 G HA3 0.535 4.496 3.960 0.001 0.000 0.301 215 G C -0.169 174.807 174.900 0.127 0.000 1.279 215 G CA -0.805 44.393 45.100 0.163 0.000 1.019 215 G HN 0.232 nan 8.290 nan 0.000 0.497 216 L N -1.036 120.293 121.223 0.177 0.000 3.858 216 L HA -0.237 4.104 4.340 0.001 0.000 0.425 216 L C 2.074 178.989 176.870 0.077 0.000 1.177 216 L CA 0.163 55.072 54.840 0.116 0.000 0.943 216 L CB -0.922 41.184 42.059 0.079 0.000 1.861 216 L HN 0.637 nan 8.230 nan 0.000 0.985 217 R N 0.201 120.713 120.500 0.020 0.000 2.237 217 R HA 0.004 4.344 4.340 0.001 0.000 0.219 217 R C 2.125 178.374 176.300 -0.084 0.000 1.080 217 R CA 1.069 57.056 56.100 -0.189 0.000 0.995 217 R CB -0.046 29.811 30.300 -0.738 0.000 0.875 217 R HN 0.580 nan 8.270 nan 0.000 0.462 218 A N 0.997 123.818 122.820 0.001 0.000 2.169 218 A HA 0.011 4.331 4.320 0.001 0.000 0.212 218 A C 0.882 178.450 177.584 -0.026 0.000 1.153 218 A CA 0.213 52.207 52.037 -0.072 0.000 0.756 218 A CB 0.109 18.892 19.000 -0.360 0.000 0.813 218 A HN 0.270 nan 8.150 nan 0.000 0.471 219 S N -0.629 115.084 115.700 0.023 0.000 2.565 219 S HA 0.651 5.122 4.470 0.001 0.000 0.290 219 S C -0.344 174.334 174.600 0.129 0.000 1.150 219 S CA -0.728 57.534 58.200 0.104 0.000 1.058 219 S CB 1.309 64.578 63.200 0.115 0.000 1.032 219 S HN 0.436 nan 8.310 nan 0.000 0.510 220 I N 2.187 122.853 120.570 0.160 0.000 2.365 220 I HA 0.489 4.659 4.170 0.001 0.000 0.291 220 I C -0.682 175.517 176.117 0.137 0.000 1.004 220 I CA 0.331 61.714 61.300 0.138 0.000 1.311 220 I CB 1.132 39.215 38.000 0.138 0.000 1.401 220 I HN 0.793 nan 8.210 nan 0.000 0.491 221 T N 5.368 119.990 114.554 0.113 0.000 2.893 221 T HA 0.816 5.166 4.350 0.001 0.000 0.291 221 T C -0.159 174.568 174.700 0.045 0.000 1.028 221 T CA -0.587 61.599 62.100 0.143 0.000 0.995 221 T CB 1.719 70.751 68.868 0.273 0.000 1.051 221 T HN 0.885 nan 8.240 nan 0.000 0.470 222 G N 0.861 109.689 108.800 0.046 0.000 2.870 222 G HA2 0.721 4.682 3.960 0.001 0.000 0.299 222 G HA3 0.721 4.682 3.960 0.001 0.000 0.299 222 G C -1.490 173.388 174.900 -0.036 0.000 1.324 222 G CA -0.973 44.107 45.100 -0.033 0.000 0.808 222 G HN 0.734 nan 8.290 nan 0.000 0.535 223 E N -1.294 118.873 120.200 -0.055 0.000 2.285 223 E HA 0.703 5.053 4.350 0.001 0.000 0.254 223 E C -1.114 175.511 176.600 0.042 0.000 1.011 223 E CA -0.915 55.464 56.400 -0.035 0.000 0.873 223 E CB 2.420 32.060 29.700 -0.100 0.000 1.229 223 E HN 0.273 nan 8.360 nan 0.000 0.422 224 I N 1.144 121.743 120.570 0.047 0.000 2.410 224 I HA 0.210 4.381 4.170 0.001 0.000 0.286 224 I C -1.129 174.975 176.117 -0.022 0.000 1.009 224 I CA -1.005 60.328 61.300 0.054 0.000 1.111 224 I CB 1.948 40.017 38.000 0.115 0.000 1.262 224 I HN 0.243 nan 8.210 nan 0.000 0.443 225 V N 7.615 127.497 119.914 -0.054 0.000 2.347 225 V HA 0.393 4.514 4.120 0.001 0.000 0.280 225 V C -0.087 175.948 176.094 -0.098 0.000 1.021 225 V CA -0.483 61.776 62.300 -0.068 0.000 0.847 225 V CB 1.317 33.105 31.823 -0.058 0.000 0.990 225 V HN 0.470 nan 8.190 nan 0.000 0.444 226 L N 4.442 125.606 121.223 -0.098 0.000 2.283 226 L HA 0.504 4.844 4.340 0.001 0.000 0.281 226 L C -0.387 176.428 176.870 -0.091 0.000 1.033 226 L CA -0.176 54.593 54.840 -0.119 0.000 0.848 226 L CB 1.182 43.159 42.059 -0.136 0.000 1.226 226 L HN 0.584 nan 8.230 nan 0.000 0.429 227 D N 3.531 123.882 120.400 -0.082 0.000 2.479 227 D HA 0.211 4.852 4.640 0.001 0.000 0.247 227 D C 0.251 176.519 176.300 -0.052 0.000 1.119 227 D CA -0.288 53.675 54.000 -0.061 0.000 0.922 227 D CB 0.536 41.305 40.800 -0.052 0.000 1.014 227 D HN 0.463 nan 8.370 nan 0.000 0.510 228 E N 1.276 121.445 120.200 -0.051 0.000 2.416 228 E HA -0.206 4.144 4.350 0.001 0.000 0.249 228 E C -0.863 175.728 176.600 -0.015 0.000 1.124 228 E CA 0.689 57.072 56.400 -0.029 0.000 0.732 228 E CB -1.319 28.369 29.700 -0.020 0.000 1.286 228 E HN 0.532 nan 8.360 nan 0.000 0.394 229 A N 0.920 123.709 122.820 -0.052 0.000 2.454 229 A HA 0.394 4.714 4.320 0.001 0.000 0.260 229 A C -0.176 177.407 177.584 -0.002 0.000 1.106 229 A CA 0.043 52.047 52.037 -0.054 0.000 0.780 229 A CB 0.085 19.002 19.000 -0.139 0.000 1.044 229 A HN 0.379 nan 8.150 nan 0.000 0.498 230 F N 4.371 124.268 119.950 -0.088 0.000 2.404 230 F HA 0.510 5.037 4.527 0.001 0.000 0.358 230 F C -0.365 175.414 175.800 -0.035 0.000 1.120 230 F CA -0.622 57.345 58.000 -0.056 0.000 1.144 230 F CB 1.052 40.026 39.000 -0.044 0.000 1.133 230 F HN 0.294 nan 8.300 nan 0.000 0.495 231 V N 8.636 128.089 119.914 -0.769 0.000 2.384 231 V HA 0.399 4.519 4.120 0.001 0.000 0.287 231 V C -2.050 173.496 176.094 -0.914 0.000 1.020 231 V CA -1.957 59.963 62.300 -0.633 0.000 0.850 231 V CB 1.142 32.845 31.823 -0.200 0.000 0.987 231 V HN 0.634 nan 8.190 nan 0.000 0.436 232 P HA 0.120 nan 4.420 nan 0.000 0.272 232 P C 0.786 178.055 177.300 -0.051 0.000 1.230 232 P CA -0.070 62.819 63.100 -0.351 0.000 0.788 232 P CB 1.183 32.834 31.700 -0.081 0.000 0.949 233 E N 1.828 122.035 120.200 0.012 0.000 2.108 233 E HA -0.234 4.117 4.350 0.001 0.000 0.203 233 E C 1.543 178.212 176.600 0.115 0.000 1.022 233 E CA 1.606 58.071 56.400 0.108 0.000 0.823 233 E CB -0.349 29.375 29.700 0.039 0.000 0.744 233 E HN 0.604 nan 8.360 nan 0.000 0.456 234 E N 0.086 120.326 120.200 0.067 0.000 2.510 234 E HA -0.151 4.199 4.350 0.001 0.000 0.202 234 E C 0.641 177.276 176.600 0.058 0.000 1.072 234 E CA 0.631 57.065 56.400 0.058 0.000 0.883 234 E CB -0.186 29.550 29.700 0.059 0.000 0.818 234 E HN 0.072 nan 8.360 nan 0.000 0.548 235 N N 0.436 119.167 118.700 0.051 0.000 2.184 235 N HA 0.219 4.959 4.740 0.001 0.000 0.206 235 N C -0.031 175.448 175.510 -0.052 0.000 1.151 235 N CA -0.194 52.871 53.050 0.025 0.000 0.878 235 N CB 0.886 39.383 38.487 0.017 0.000 1.014 235 N HN 0.282 nan 8.380 nan 0.000 0.512 236 I N 1.364 121.885 120.570 -0.081 0.000 2.428 236 I HA 0.113 4.284 4.170 0.001 0.000 0.289 236 I C -0.574 175.363 176.117 -0.301 0.000 1.019 236 I CA -0.712 60.389 61.300 -0.332 0.000 1.351 236 I CB 0.773 38.482 38.000 -0.485 0.000 1.412 236 I HN -0.255 nan 8.210 nan 0.000 0.513 237 L N 10.490 131.477 121.223 -0.393 0.000 2.562 237 L HA 0.142 4.483 4.340 0.001 0.000 0.271 237 L C -1.619 175.078 176.870 -0.288 0.000 1.167 237 L CA -1.271 53.406 54.840 -0.271 0.000 0.917 237 L CB -0.218 41.705 42.059 -0.226 0.000 1.187 237 L HN 0.493 nan 8.230 nan 0.000 0.482 238 P HA -0.062 nan 4.420 nan 0.000 0.218 238 P C 0.522 177.610 177.300 -0.353 0.000 1.152 238 P CA 1.237 64.075 63.100 -0.437 0.000 0.826 238 P CB 0.217 31.459 31.700 -0.764 0.000 0.790 239 H N -1.324 117.753 119.070 0.012 0.000 2.550 239 H HA 0.478 5.035 4.556 0.001 0.000 0.304 239 H C -0.172 175.147 175.328 -0.014 0.000 1.086 239 H CA -0.266 55.805 56.048 0.037 0.000 1.089 239 H CB 0.066 29.883 29.762 0.091 0.000 1.528 239 H HN -0.034 nan 8.280 nan 0.000 0.539 240 V N 1.946 121.811 119.914 -0.080 0.000 2.817 240 V HA 0.368 4.489 4.120 0.001 0.000 0.303 240 V C -1.574 174.414 176.094 -0.177 0.000 1.151 240 V CA -0.854 61.282 62.300 -0.274 0.000 0.929 240 V CB 2.610 33.902 31.823 -0.885 0.000 1.030 240 V HN 0.356 nan 8.190 nan 0.000 0.427 241 K N 4.822 125.142 120.400 -0.133 0.000 2.422 241 K HA 0.906 5.227 4.320 0.001 0.000 0.251 241 K C -0.050 176.510 176.600 -0.067 0.000 0.933 241 K CA 0.165 56.405 56.287 -0.077 0.000 0.798 241 K CB 1.852 34.323 32.500 -0.049 0.000 1.238 241 K HN 1.982 nan 8.250 nan 0.000 0.428 242 G N 1.134 109.913 108.800 -0.035 0.000 2.760 242 G HA2 -0.240 3.721 3.960 0.001 0.000 0.246 242 G HA3 -0.240 3.721 3.960 0.001 0.000 0.246 242 G C 0.257 175.113 174.900 -0.073 0.000 1.359 242 G CA -0.270 44.807 45.100 -0.039 0.000 0.861 242 G HN 0.427 nan 8.290 nan 0.000 0.541 243 L N 0.322 121.505 121.223 -0.066 0.000 2.123 243 L HA -0.177 4.163 4.340 0.001 0.000 0.217 243 L C 3.024 179.865 176.870 -0.049 0.000 1.081 243 L CA 3.008 57.805 54.840 -0.070 0.000 0.772 243 L CB -0.803 41.214 42.059 -0.070 0.000 0.890 243 L HN 0.748 nan 8.230 nan 0.000 0.437 244 R N -0.861 119.611 120.500 -0.048 0.000 2.139 244 R HA -0.169 4.171 4.340 0.001 0.000 0.243 244 R C 2.165 178.476 176.300 0.018 0.000 1.145 244 R CA 1.372 57.490 56.100 0.029 0.000 0.976 244 R CB -0.471 29.822 30.300 -0.011 0.000 0.866 244 R HN 0.497 nan 8.270 nan 0.000 0.449 245 G N 1.178 109.848 108.800 -0.218 0.000 2.505 245 G HA2 -0.165 3.795 3.960 0.001 0.000 0.214 245 G HA3 -0.165 3.795 3.960 0.001 0.000 0.214 245 G C -0.977 173.709 174.900 -0.357 0.000 1.237 245 G CA 0.548 45.449 45.100 -0.331 0.000 0.802 245 G HN 0.336 nan 8.290 nan 0.000 0.549 246 P HA -0.172 nan 4.420 nan 0.000 0.216 246 P C 1.699 178.963 177.300 -0.059 0.000 1.153 246 P CA 0.986 63.725 63.100 -0.601 0.000 0.858 246 P CB -0.188 31.160 31.700 -0.585 0.000 0.789 247 F N 0.913 120.800 119.950 -0.105 0.000 2.146 247 F HA -0.130 4.397 4.527 0.001 0.000 0.298 247 F C 2.073 177.915 175.800 0.070 0.000 1.096 247 F CA 1.775 59.776 58.000 0.001 0.000 1.275 247 F CB -1.092 37.907 39.000 -0.001 0.000 1.008 247 F HN -0.151 nan 8.300 nan 0.000 0.480 248 T N -0.140 114.485 114.554 0.118 0.000 2.759 248 T HA -0.232 4.118 4.350 0.001 0.000 0.269 248 T C 2.135 176.828 174.700 -0.013 0.000 1.042 248 T CA 1.633 63.786 62.100 0.090 0.000 1.140 248 T CB -0.997 68.115 68.868 0.407 0.000 0.864 248 T HN 0.425 nan 8.240 nan 0.000 0.455 249 C N 0.795 120.128 119.300 0.054 0.000 2.453 249 C HA 0.108 4.569 4.460 0.001 0.000 0.277 249 C C 2.697 177.591 174.990 -0.161 0.000 1.262 249 C CA 0.257 59.257 59.018 -0.030 0.000 1.718 249 C CB -1.326 26.421 27.740 0.012 0.000 2.031 249 C HN 0.507 nan 8.230 nan 0.000 0.480 250 L N 1.179 122.299 121.223 -0.172 0.000 2.109 250 L HA -0.101 4.239 4.340 0.001 0.000 0.207 250 L C 2.476 179.240 176.870 -0.178 0.000 1.086 250 L CA 1.592 56.345 54.840 -0.145 0.000 0.760 250 L CB -0.775 41.261 42.059 -0.039 0.000 0.910 250 L HN 0.424 nan 8.230 nan 0.000 0.437 251 N N -0.245 118.225 118.700 -0.382 0.000 2.043 251 N HA -0.252 4.488 4.740 0.001 0.000 0.193 251 N C 2.025 177.475 175.510 -0.101 0.000 1.037 251 N CA 1.933 54.767 53.050 -0.360 0.000 0.851 251 N CB -0.201 37.887 38.487 -0.666 0.000 1.027 251 N HN 0.102 nan 8.380 nan 0.000 0.422 252 S N -1.072 114.594 115.700 -0.057 0.000 2.370 252 S HA -0.087 4.384 4.470 0.001 0.000 0.226 252 S C 1.875 176.614 174.600 0.231 0.000 1.033 252 S CA 1.486 59.751 58.200 0.110 0.000 1.011 252 S CB -0.665 62.585 63.200 0.084 0.000 0.852 252 S HN 0.562 nan 8.310 nan 0.000 0.457 253 A N 1.007 123.881 122.820 0.091 0.000 1.930 253 A HA 0.096 4.416 4.320 0.001 0.000 0.215 253 A C 2.169 179.785 177.584 0.054 0.000 1.176 253 A CA 0.973 53.062 52.037 0.087 0.000 0.632 253 A CB -0.424 18.554 19.000 -0.037 0.000 0.819 253 A HN 0.581 nan 8.150 nan 0.000 0.445 254 R N -1.981 118.536 120.500 0.029 0.000 2.115 254 R HA -0.098 4.242 4.340 0.001 0.000 0.230 254 R C 2.051 178.355 176.300 0.007 0.000 1.111 254 R CA 1.463 57.558 56.100 -0.008 0.000 0.976 254 R CB -0.515 29.774 30.300 -0.019 0.000 0.870 254 R HN 0.722 nan 8.270 nan 0.000 0.445 255 Y N 0.702 120.989 120.300 -0.021 0.000 2.165 255 Y HA -0.176 4.375 4.550 0.001 0.000 0.286 255 Y C 2.244 178.163 175.900 0.032 0.000 1.155 255 Y CA 1.795 59.907 58.100 0.020 0.000 1.164 255 Y CB -0.496 38.002 38.460 0.063 0.000 0.978 255 Y HN 0.038 nan 8.280 nan 0.000 0.513 256 G N 0.160 108.913 108.800 -0.078 0.000 2.403 256 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 256 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 256 G C 1.603 176.350 174.900 -0.254 0.000 1.154 256 G CA 1.049 45.899 45.100 -0.417 0.000 0.784 256 G HN 0.502 nan 8.290 nan 0.000 0.538 257 I N 1.445 121.929 120.570 -0.142 0.000 2.454 257 I HA -0.111 4.060 4.170 0.001 0.000 0.254 257 I C 3.118 179.155 176.117 -0.133 0.000 1.156 257 I CA 0.777 62.007 61.300 -0.116 0.000 1.433 257 I CB 0.010 37.950 38.000 -0.100 0.000 1.082 257 I HN 0.226 nan 8.210 nan 0.000 0.432 258 A N -0.156 122.554 122.820 -0.184 0.000 1.968 258 A HA -0.179 4.141 4.320 0.001 0.000 0.217 258 A C 1.942 179.367 177.584 -0.266 0.000 1.169 258 A CA 1.059 52.953 52.037 -0.238 0.000 0.638 258 A CB -0.806 18.017 19.000 -0.295 0.000 0.812 258 A HN 0.520 nan 8.150 nan 0.000 0.446 259 W N -0.237 120.833 121.300 -0.383 0.000 2.443 259 W HA 0.126 4.787 4.660 0.001 0.000 0.296 259 W C 2.532 178.922 176.519 -0.215 0.000 1.202 259 W CA 1.073 58.233 57.345 -0.309 0.000 1.312 259 W CB -0.559 28.669 29.460 -0.386 0.000 1.120 259 W HN 0.347 nan 8.180 nan 0.000 0.536 260 G N 0.264 109.078 108.800 0.023 0.000 2.446 260 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 260 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 260 G C 1.667 176.557 174.900 -0.017 0.000 1.168 260 G CA 1.571 46.671 45.100 -0.000 0.000 0.771 260 G HN 0.285 nan 8.290 nan 0.000 0.551 261 A N 0.562 123.349 122.820 -0.054 0.000 1.948 261 A HA 0.010 4.331 4.320 0.001 0.000 0.220 261 A C 2.445 179.980 177.584 -0.081 0.000 1.177 261 A CA 1.459 53.456 52.037 -0.067 0.000 0.636 261 A CB -0.405 18.544 19.000 -0.085 0.000 0.815 261 A HN 0.384 nan 8.150 nan 0.000 0.449 262 L N -0.873 120.297 121.223 -0.089 0.000 2.083 262 L HA -0.123 4.218 4.340 0.001 0.000 0.209 262 L C 2.836 179.674 176.870 -0.053 0.000 1.083 262 L CA 0.997 55.783 54.840 -0.090 0.000 0.752 262 L CB -0.865 41.118 42.059 -0.126 0.000 0.899 262 L HN 0.488 nan 8.230 nan 0.000 0.433 263 G N -0.202 108.590 108.800 -0.014 0.000 2.446 263 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 263 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 263 G C 1.794 176.644 174.900 -0.083 0.000 1.168 263 G CA 0.867 45.966 45.100 -0.001 0.000 0.771 263 G HN 0.463 nan 8.290 nan 0.000 0.551 264 A N 1.209 123.958 122.820 -0.118 0.000 1.908 264 A HA 0.177 4.498 4.320 0.001 0.000 0.218 264 A C 2.833 180.166 177.584 -0.417 0.000 1.181 264 A CA 2.505 54.333 52.037 -0.350 0.000 0.627 264 A CB -0.858 18.053 19.000 -0.148 0.000 0.818 264 A HN 0.872 nan 8.150 nan 0.000 0.445 265 A N -0.550 122.144 122.820 -0.211 0.000 1.902 265 A HA -0.168 4.152 4.320 0.001 0.000 0.217 265 A C 1.932 179.454 177.584 -0.103 0.000 1.181 265 A CA 1.727 53.672 52.037 -0.153 0.000 0.623 265 A CB -0.522 18.408 19.000 -0.116 0.000 0.818 265 A HN 0.634 nan 8.150 nan 0.000 0.443 266 E N -0.300 119.844 120.200 -0.094 0.000 2.077 266 E HA -0.127 4.223 4.350 0.001 0.000 0.193 266 E C 2.339 178.733 176.600 -0.343 0.000 0.989 266 E CA 1.275 57.600 56.400 -0.125 0.000 0.800 266 E CB -0.113 29.526 29.700 -0.101 0.000 0.746 266 E HN 0.578 nan 8.360 nan 0.000 0.452 267 S N 0.025 115.583 115.700 -0.236 0.000 2.359 267 S HA -0.207 4.264 4.470 0.001 0.000 0.224 267 S C 2.131 176.666 174.600 -0.109 0.000 1.035 267 S CA 1.082 59.190 58.200 -0.154 0.000 1.018 267 S CB -0.340 62.754 63.200 -0.178 0.000 0.876 267 S HN 0.431 nan 8.310 nan 0.000 0.448 268 C N 0.143 119.347 119.300 -0.160 0.000 2.413 268 C HA -0.108 4.353 4.460 0.001 0.000 0.276 268 C C 2.271 177.303 174.990 0.070 0.000 1.248 268 C CA 0.434 59.420 59.018 -0.054 0.000 1.742 268 C CB -1.479 26.211 27.740 -0.083 0.000 2.017 268 C HN 0.869 nan 8.230 nan 0.000 0.481 269 W N 1.318 122.529 121.300 -0.149 0.000 2.358 269 W HA -0.108 4.552 4.660 0.000 0.000 0.303 269 W C 2.378 178.935 176.519 0.062 0.000 1.208 269 W CA 1.765 59.069 57.345 -0.068 0.000 1.274 269 W CB -1.175 28.224 29.460 -0.102 0.000 1.138 269 W HN 0.536 nan 8.180 nan 0.000 0.515 270 H N -0.816 118.239 119.070 -0.024 0.000 2.357 270 H HA -0.100 4.456 4.556 0.001 0.000 0.301 270 H C 2.329 177.631 175.328 -0.043 0.000 1.082 270 H CA 1.759 57.720 56.048 -0.145 0.000 1.342 270 H CB -0.175 29.531 29.762 -0.093 0.000 1.389 270 H HN 0.101 nan 8.280 nan 0.000 0.511 271 I N 0.707 121.351 120.570 0.124 0.000 2.179 271 I HA -0.256 3.914 4.170 0.001 0.000 0.242 271 I C 2.739 178.900 176.117 0.073 0.000 1.088 271 I CA 0.906 62.254 61.300 0.080 0.000 1.357 271 I CB -0.213 37.814 38.000 0.044 0.000 1.051 271 I HN 0.301 nan 8.210 nan 0.000 0.409 272 A N 0.695 123.554 122.820 0.066 0.000 1.898 272 A HA -0.234 4.087 4.320 0.001 0.000 0.216 272 A C 2.431 180.086 177.584 0.118 0.000 1.181 272 A CA 1.731 53.809 52.037 0.068 0.000 0.620 272 A CB -0.635 18.405 19.000 0.066 0.000 0.819 272 A HN 0.363 nan 8.150 nan 0.000 0.442 273 R N -0.818 119.740 120.500 0.095 0.000 2.080 273 R HA -0.243 4.098 4.340 0.001 0.000 0.236 273 R C 2.369 178.656 176.300 -0.022 0.000 1.137 273 R CA 2.103 58.209 56.100 0.009 0.000 0.943 273 R CB -0.367 29.847 30.300 -0.144 0.000 0.846 273 R HN 0.474 nan 8.270 nan 0.000 0.431 274 Q N -0.268 119.526 119.800 -0.010 0.000 2.096 274 Q HA -0.231 4.109 4.340 0.001 0.000 0.204 274 Q C 1.797 177.812 176.000 0.026 0.000 0.982 274 Q CA 2.094 57.890 55.803 -0.011 0.000 0.850 274 Q CB -0.626 28.119 28.738 0.011 0.000 0.901 274 Q HN 0.573 nan 8.270 nan 0.000 0.422 275 Y N 0.060 120.332 120.300 -0.046 0.000 2.114 275 Y HA -0.261 4.289 4.550 0.001 0.000 0.282 275 Y C 1.977 177.850 175.900 -0.046 0.000 1.165 275 Y CA 2.275 60.346 58.100 -0.048 0.000 1.148 275 Y CB -0.387 38.032 38.460 -0.069 0.000 0.972 275 Y HN 0.112 nan 8.280 nan 0.000 0.504 276 V N -2.328 117.635 119.914 0.081 0.000 2.515 276 V HA -0.184 3.937 4.120 0.001 0.000 0.250 276 V C 2.095 178.134 176.094 -0.093 0.000 1.058 276 V CA 1.422 63.718 62.300 -0.007 0.000 1.064 276 V CB -1.013 30.860 31.823 0.084 0.000 0.675 276 V HN 0.349 nan 8.190 nan 0.000 0.461 277 L N 1.108 122.277 121.223 -0.090 0.000 2.083 277 L HA -0.049 4.291 4.340 0.001 0.000 0.209 277 L C 2.284 179.084 176.870 -0.118 0.000 1.083 277 L CA 1.948 56.727 54.840 -0.101 0.000 0.752 277 L CB -1.234 40.763 42.059 -0.104 0.000 0.899 277 L HN 0.403 nan 8.230 nan 0.000 0.433 278 D N -1.394 118.913 120.400 -0.154 0.000 2.271 278 D HA 0.023 4.664 4.640 0.001 0.000 0.206 278 D C 0.877 177.054 176.300 -0.206 0.000 0.967 278 D CA 0.343 54.248 54.000 -0.159 0.000 0.867 278 D CB 0.435 41.153 40.800 -0.138 0.000 0.960 278 D HN 0.188 nan 8.370 nan 0.000 0.509 279 R N 1.170 121.476 120.500 -0.322 0.000 2.573 279 R HA 0.497 4.838 4.340 0.001 0.000 0.272 279 R C 0.279 176.450 176.300 -0.214 0.000 1.009 279 R CA -0.301 55.601 56.100 -0.330 0.000 1.059 279 R CB 1.597 31.539 30.300 -0.597 0.000 1.112 279 R HN -0.084 nan 8.270 nan 0.000 0.517 280 K N 1.537 121.838 120.400 -0.165 0.000 2.328 280 K HA 0.370 4.691 4.320 0.001 0.000 0.246 280 K C -0.428 176.083 176.600 -0.148 0.000 0.955 280 K CA -0.893 55.321 56.287 -0.121 0.000 0.817 280 K CB 2.008 34.453 32.500 -0.092 0.000 1.208 280 K HN 0.263 nan 8.250 nan 0.000 0.432 281 Q N 1.548 121.262 119.800 -0.143 0.000 2.331 281 Q HA 0.285 4.626 4.340 0.001 0.000 0.272 281 Q C -0.915 174.986 176.000 -0.165 0.000 1.062 281 Q CA -0.668 54.942 55.803 -0.321 0.000 0.806 281 Q CB 1.627 30.163 28.738 -0.336 0.000 1.312 281 Q HN 0.608 nan 8.270 nan 0.000 0.431 282 F N 0.521 120.467 119.950 -0.006 0.000 3.004 282 F HA -0.226 4.301 4.527 0.001 0.000 0.264 282 F C 1.032 176.826 175.800 -0.010 0.000 0.979 282 F CA 1.118 59.115 58.000 -0.006 0.000 0.896 282 F CB -2.156 36.842 39.000 -0.003 0.000 0.813 282 F HN 0.887 nan 8.300 nan 0.000 0.804 283 G N 0.648 109.498 108.800 0.084 0.000 2.392 283 G HA2 -0.102 3.859 3.960 0.001 0.000 0.290 283 G HA3 -0.102 3.859 3.960 0.001 0.000 0.290 283 G C -0.164 174.764 174.900 0.046 0.000 1.032 283 G CA 0.394 45.523 45.100 0.049 0.000 1.269 283 G HN 0.883 nan 8.290 nan 0.000 0.511 284 R N 0.099 120.611 120.500 0.021 0.000 4.106 284 R HA 0.250 4.591 4.340 0.001 0.000 0.252 284 R C -3.056 173.237 176.300 -0.011 0.000 0.977 284 R CA -1.149 54.961 56.100 0.016 0.000 1.118 284 R CB 1.266 31.597 30.300 0.051 0.000 1.237 284 R HN 0.163 nan 8.270 nan 0.000 0.587 285 P HA 0.096 nan 4.420 nan 0.000 0.274 285 P C 0.629 177.912 177.300 -0.028 0.000 1.231 285 P CA -0.609 62.462 63.100 -0.049 0.000 0.790 285 P CB 0.559 32.226 31.700 -0.056 0.000 0.951 286 L N 1.451 122.649 121.223 -0.041 0.000 2.129 286 L HA -0.214 4.126 4.340 0.001 0.000 0.212 286 L C 2.255 179.132 176.870 0.011 0.000 1.087 286 L CA 2.197 57.037 54.840 -0.001 0.000 0.757 286 L CB -2.290 39.778 42.059 0.015 0.000 0.896 286 L HN 0.435 nan 8.230 nan 0.000 0.434 287 A N -0.305 122.509 122.820 -0.009 0.000 2.076 287 A HA -0.103 4.218 4.320 0.001 0.000 0.220 287 A C 2.471 180.053 177.584 -0.003 0.000 1.160 287 A CA 1.436 53.467 52.037 -0.010 0.000 0.653 287 A CB -0.434 18.544 19.000 -0.037 0.000 0.801 287 A HN 0.400 nan 8.150 nan 0.000 0.455 288 A N -0.024 122.797 122.820 0.003 0.000 2.067 288 A HA -0.072 4.249 4.320 0.001 0.000 0.219 288 A C 1.098 178.694 177.584 0.020 0.000 1.158 288 A CA 0.841 52.884 52.037 0.010 0.000 0.661 288 A CB -0.723 18.286 19.000 0.016 0.000 0.801 288 A HN 0.703 nan 8.150 nan 0.000 0.452 289 N N -0.007 118.711 118.700 0.029 0.000 2.452 289 N HA 0.098 4.839 4.740 0.001 0.000 0.266 289 N C 0.966 176.492 175.510 0.025 0.000 1.175 289 N CA -0.094 52.977 53.050 0.036 0.000 0.945 289 N CB 0.429 38.946 38.487 0.051 0.000 1.063 289 N HN 0.396 nan 8.380 nan 0.000 0.472 290 Q N 2.253 122.065 119.800 0.020 0.000 2.061 290 Q HA -0.181 4.159 4.340 0.001 0.000 0.204 290 Q C 1.350 177.359 176.000 0.015 0.000 0.984 290 Q CA 1.176 56.987 55.803 0.013 0.000 0.846 290 Q CB -0.106 28.637 28.738 0.008 0.000 0.902 290 Q HN 0.657 nan 8.270 nan 0.000 0.421 291 L N 0.645 121.879 121.223 0.018 0.000 2.081 291 L HA -0.210 4.131 4.340 0.001 0.000 0.212 291 L C 2.187 179.069 176.870 0.020 0.000 1.080 291 L CA 1.521 56.371 54.840 0.017 0.000 0.754 291 L CB -0.868 41.204 42.059 0.022 0.000 0.893 291 L HN 0.307 nan 8.230 nan 0.000 0.433 292 I N -1.053 119.534 120.570 0.028 0.000 2.353 292 I HA -0.211 3.960 4.170 0.001 0.000 0.248 292 I C 2.428 178.565 176.117 0.033 0.000 1.119 292 I CA 0.898 62.219 61.300 0.035 0.000 1.417 292 I CB -0.915 37.111 38.000 0.044 0.000 1.078 292 I HN 0.439 nan 8.210 nan 0.000 0.421 293 Q N 0.594 120.410 119.800 0.026 0.000 2.119 293 Q HA -0.219 4.122 4.340 0.001 0.000 0.201 293 Q C 2.213 178.227 176.000 0.022 0.000 0.972 293 Q CA 1.237 57.055 55.803 0.026 0.000 0.847 293 Q CB -0.077 28.672 28.738 0.017 0.000 0.903 293 Q HN 0.452 nan 8.270 nan 0.000 0.433 294 K N 1.578 121.984 120.400 0.011 0.000 2.009 294 K HA -0.197 4.123 4.320 0.001 0.000 0.210 294 K C 1.921 178.516 176.600 -0.008 0.000 1.049 294 K CA 1.453 57.741 56.287 0.000 0.000 0.929 294 K CB 0.076 32.574 32.500 -0.004 0.000 0.714 294 K HN -0.027 nan 8.250 nan 0.000 0.440 295 K N 0.578 120.976 120.400 -0.003 0.000 2.044 295 K HA -0.166 4.155 4.320 0.001 0.000 0.210 295 K C 2.169 178.757 176.600 -0.020 0.000 1.049 295 K CA 1.895 58.174 56.287 -0.014 0.000 0.927 295 K CB -0.222 32.277 32.500 -0.000 0.000 0.713 295 K HN 0.180 nan 8.250 nan 0.000 0.443 296 L N 0.224 121.462 121.223 0.024 0.000 2.083 296 L HA -0.195 4.145 4.340 0.001 0.000 0.209 296 L C 2.568 179.435 176.870 -0.005 0.000 1.083 296 L CA 1.082 55.963 54.840 0.069 0.000 0.752 296 L CB -0.592 41.560 42.059 0.156 0.000 0.899 296 L HN 0.251 nan 8.230 nan 0.000 0.433 297 A N -0.118 122.704 122.820 0.002 0.000 1.940 297 A HA -0.234 4.086 4.320 0.001 0.000 0.219 297 A C 1.915 179.443 177.584 -0.094 0.000 1.176 297 A CA 2.020 54.048 52.037 -0.015 0.000 0.631 297 A CB -0.453 18.547 19.000 0.000 0.000 0.814 297 A HN 0.383 nan 8.150 nan 0.000 0.446 298 D N -0.511 119.824 120.400 -0.109 0.000 2.149 298 D HA -0.077 4.563 4.640 0.001 0.000 0.201 298 D C 2.060 178.219 176.300 -0.236 0.000 0.972 298 D CA 1.186 55.103 54.000 -0.138 0.000 0.835 298 D CB -0.320 40.419 40.800 -0.101 0.000 0.966 298 D HN 0.511 nan 8.370 nan 0.000 0.476 299 M N 0.405 119.807 119.600 -0.330 0.000 2.067 299 M HA -0.181 4.300 4.480 0.001 0.000 0.260 299 M C 2.412 178.216 176.300 -0.828 0.000 1.069 299 M CA 1.313 56.294 55.300 -0.532 0.000 1.117 299 M CB -0.366 31.855 32.600 -0.631 0.000 1.334 299 M HN -0.061 nan 8.290 nan 0.000 0.407 300 Q N 0.122 119.334 119.800 -0.980 0.000 2.061 300 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 300 Q C 1.750 177.478 176.000 -0.452 0.000 0.984 300 Q CA 2.512 57.741 55.803 -0.958 0.000 0.846 300 Q CB -0.064 28.482 28.738 -0.321 0.000 0.902 300 Q HN 0.469 nan 8.270 nan 0.000 0.421 301 T N 1.180 115.570 114.554 -0.275 0.000 2.674 301 T HA -0.135 4.215 4.350 0.001 0.000 0.265 301 T C 1.583 176.177 174.700 -0.176 0.000 1.039 301 T CA 1.347 63.352 62.100 -0.159 0.000 1.150 301 T CB -0.261 68.543 68.868 -0.106 0.000 0.864 301 T HN 0.325 nan 8.240 nan 0.000 0.427 302 E N 0.948 121.026 120.200 -0.204 0.000 2.085 302 E HA -0.054 4.297 4.350 0.001 0.000 0.194 302 E C 2.280 178.766 176.600 -0.190 0.000 0.994 302 E CA 0.848 57.142 56.400 -0.178 0.000 0.801 302 E CB -0.523 29.077 29.700 -0.167 0.000 0.743 302 E HN 0.511 nan 8.360 nan 0.000 0.453 303 I N 0.972 121.394 120.570 -0.246 0.000 2.226 303 I HA -0.258 3.913 4.170 0.001 0.000 0.245 303 I C 2.345 178.370 176.117 -0.154 0.000 1.100 303 I CA 1.351 62.529 61.300 -0.205 0.000 1.374 303 I CB -0.363 37.495 38.000 -0.236 0.000 1.057 303 I HN 0.069 nan 8.210 nan 0.000 0.413 304 T N 1.157 115.622 114.554 -0.148 0.000 2.746 304 T HA -0.122 4.228 4.350 0.001 0.000 0.267 304 T C 1.915 176.559 174.700 -0.093 0.000 1.039 304 T CA 1.277 63.327 62.100 -0.083 0.000 1.142 304 T CB -0.256 68.586 68.868 -0.044 0.000 0.866 304 T HN 0.233 nan 8.240 nan 0.000 0.444 305 L N 0.499 121.659 121.223 -0.105 0.000 2.056 305 L HA 0.048 4.389 4.340 0.001 0.000 0.207 305 L C 3.062 179.850 176.870 -0.137 0.000 1.078 305 L CA 1.270 56.049 54.840 -0.103 0.000 0.749 305 L CB -1.088 40.916 42.059 -0.092 0.000 0.901 305 L HN 0.340 nan 8.230 nan 0.000 0.433 306 G N 0.426 109.128 108.800 -0.163 0.000 2.476 306 G HA2 -0.258 3.703 3.960 0.001 0.000 0.218 306 G HA3 -0.258 3.703 3.960 0.001 0.000 0.218 306 G C 1.641 176.367 174.900 -0.289 0.000 1.164 306 G CA 0.763 45.735 45.100 -0.212 0.000 0.768 306 G HN 0.216 nan 8.290 nan 0.000 0.560 307 L N -0.093 120.972 121.223 -0.264 0.000 2.042 307 L HA -0.154 4.186 4.340 0.001 0.000 0.210 307 L C 3.236 179.924 176.870 -0.303 0.000 1.076 307 L CA 1.145 55.785 54.840 -0.333 0.000 0.749 307 L CB -0.338 41.612 42.059 -0.182 0.000 0.893 307 L HN 0.185 nan 8.230 nan 0.000 0.432 308 Q N -0.318 119.372 119.800 -0.183 0.000 2.124 308 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 308 Q C 2.259 178.173 176.000 -0.144 0.000 0.977 308 Q CA 1.665 57.392 55.803 -0.126 0.000 0.850 308 Q CB -0.607 28.084 28.738 -0.078 0.000 0.901 308 Q HN 0.590 nan 8.270 nan 0.000 0.429 309 G N 0.784 109.474 108.800 -0.183 0.000 2.404 309 G HA2 -0.167 3.793 3.960 0.001 0.000 0.215 309 G HA3 -0.167 3.793 3.960 0.001 0.000 0.215 309 G C 1.610 176.383 174.900 -0.210 0.000 1.174 309 G CA 1.497 46.497 45.100 -0.166 0.000 0.780 309 G HN 0.363 nan 8.290 nan 0.000 0.537 310 V N -0.489 119.177 119.914 -0.414 0.000 2.427 310 V HA -0.071 4.050 4.120 0.001 0.000 0.248 310 V C 2.618 178.537 176.094 -0.291 0.000 1.051 310 V CA 1.614 63.555 62.300 -0.599 0.000 1.048 310 V CB -0.811 30.134 31.823 -1.463 0.000 0.666 310 V HN 0.208 nan 8.190 nan 0.000 0.456 311 L N 1.032 122.096 121.223 -0.265 0.000 2.012 311 L HA -0.117 4.223 4.340 0.001 0.000 0.210 311 L C 2.673 179.640 176.870 0.162 0.000 1.073 311 L CA 2.649 57.579 54.840 0.151 0.000 0.748 311 L CB -0.966 41.152 42.059 0.099 0.000 0.891 311 L HN 0.446 nan 8.230 nan 0.000 0.431 312 R N -0.388 120.143 120.500 0.052 0.000 2.075 312 R HA -0.113 4.227 4.340 0.001 0.000 0.232 312 R C 2.280 178.629 176.300 0.083 0.000 1.126 312 R CA 1.851 57.985 56.100 0.056 0.000 0.963 312 R CB -1.022 29.285 30.300 0.012 0.000 0.858 312 R HN 0.524 nan 8.270 nan 0.000 0.435 313 L N -0.160 121.115 121.223 0.088 0.000 2.012 313 L HA -0.105 4.235 4.340 0.001 0.000 0.210 313 L C 2.049 179.022 176.870 0.171 0.000 1.073 313 L CA 2.099 57.009 54.840 0.118 0.000 0.748 313 L CB -1.083 41.067 42.059 0.152 0.000 0.891 313 L HN 0.552 nan 8.230 nan 0.000 0.431 314 G N -0.483 108.538 108.800 0.369 0.000 2.446 314 G HA2 -0.279 3.682 3.960 0.001 0.000 0.217 314 G HA3 -0.279 3.682 3.960 0.001 0.000 0.217 314 G C 1.590 176.610 174.900 0.201 0.000 1.168 314 G CA 0.338 45.663 45.100 0.375 0.000 0.771 314 G HN 0.270 nan 8.290 nan 0.000 0.551 315 R N -0.244 120.363 120.500 0.178 0.000 2.096 315 R HA 0.071 4.411 4.340 0.001 0.000 0.235 315 R C 2.649 178.995 176.300 0.077 0.000 1.127 315 R CA 1.043 57.213 56.100 0.118 0.000 0.968 315 R CB -0.577 29.782 30.300 0.098 0.000 0.861 315 R HN 0.433 nan 8.270 nan 0.000 0.440 316 M N 0.207 119.840 119.600 0.055 0.000 2.200 316 M HA -0.113 4.367 4.480 0.001 0.000 0.265 316 M C 2.100 178.396 176.300 -0.008 0.000 1.066 316 M CA 1.559 56.873 55.300 0.023 0.000 1.127 316 M CB -0.147 32.462 32.600 0.014 0.000 1.379 316 M HN -0.002 nan 8.290 nan 0.000 0.420 317 K N 0.346 120.705 120.400 -0.067 0.000 2.026 317 K HA -0.155 4.166 4.320 0.001 0.000 0.208 317 K C 1.553 178.172 176.600 0.031 0.000 1.048 317 K CA 1.421 57.599 56.287 -0.183 0.000 0.929 317 K CB -0.175 31.915 32.500 -0.684 0.000 0.713 317 K HN 0.219 nan 8.250 nan 0.000 0.439 318 D N 0.814 121.301 120.400 0.146 0.000 2.149 318 D HA -0.180 4.461 4.640 0.001 0.000 0.198 318 D C 1.543 177.904 176.300 0.102 0.000 0.990 318 D CA 1.312 55.422 54.000 0.183 0.000 0.839 318 D CB -0.034 40.855 40.800 0.147 0.000 0.948 318 D HN 0.523 nan 8.370 nan 0.000 0.460 319 E N -0.412 119.830 120.200 0.069 0.000 2.474 319 E HA 0.199 4.550 4.350 0.001 0.000 0.195 319 E C 1.032 177.657 176.600 0.042 0.000 1.039 319 E CA 0.531 56.961 56.400 0.050 0.000 0.881 319 E CB 0.067 29.791 29.700 0.041 0.000 0.970 319 E HN 0.090 nan 8.360 nan 0.000 0.486 320 G N 1.853 110.678 108.800 0.042 0.000 2.176 320 G HA2 -0.335 3.625 3.960 0.001 0.000 0.252 320 G HA3 -0.335 3.625 3.960 0.001 0.000 0.252 320 G C 0.733 175.646 174.900 0.021 0.000 1.024 320 G CA 0.821 45.940 45.100 0.033 0.000 0.755 320 G HN 0.500 nan 8.290 nan 0.000 0.507 321 T N -3.462 111.101 114.554 0.016 0.000 3.134 321 T HA 0.682 5.033 4.350 0.001 0.000 0.260 321 T C 0.750 175.454 174.700 0.008 0.000 1.027 321 T CA 0.988 63.097 62.100 0.014 0.000 0.913 321 T CB 1.019 69.898 68.868 0.017 0.000 1.046 321 T HN 1.607 nan 8.240 nan 0.000 0.553 322 A N 1.253 124.070 122.820 -0.004 0.000 2.273 322 A HA 0.866 5.187 4.320 0.001 0.000 0.315 322 A C 0.465 178.050 177.584 0.001 0.000 1.256 322 A CA -0.786 51.245 52.037 -0.011 0.000 0.851 322 A CB 0.418 19.393 19.000 -0.043 0.000 1.172 322 A HN 0.678 nan 8.150 nan 0.000 0.508 323 A N 1.768 124.600 122.820 0.020 0.000 2.351 323 A HA 0.469 4.790 4.320 0.001 0.000 0.257 323 A C 1.531 179.151 177.584 0.060 0.000 1.087 323 A CA 0.150 52.212 52.037 0.042 0.000 0.798 323 A CB 0.120 19.145 19.000 0.041 0.000 1.033 323 A HN 2.012 nan 8.150 nan 0.000 0.488 324 V N -0.226 119.754 119.914 0.109 0.000 2.660 324 V HA -0.222 3.899 4.120 0.001 0.000 0.257 324 V C 1.540 177.728 176.094 0.158 0.000 1.088 324 V CA 2.673 65.075 62.300 0.171 0.000 1.106 324 V CB -1.197 30.861 31.823 0.391 0.000 0.686 324 V HN 0.870 nan 8.190 nan 0.000 0.481 325 E N 0.869 121.141 120.200 0.121 0.000 2.204 325 E HA -0.002 4.348 4.350 0.001 0.000 0.194 325 E C 1.963 178.604 176.600 0.069 0.000 0.989 325 E CA 1.569 58.031 56.400 0.104 0.000 0.824 325 E CB -0.488 29.256 29.700 0.073 0.000 0.756 325 E HN 0.744 nan 8.360 nan 0.000 0.477 326 I N 0.477 121.076 120.570 0.047 0.000 2.208 326 I HA -0.294 3.877 4.170 0.001 0.000 0.245 326 I C 2.027 178.151 176.117 0.013 0.000 1.097 326 I CA 1.277 62.590 61.300 0.022 0.000 1.363 326 I CB -0.621 37.389 38.000 0.016 0.000 1.051 326 I HN 0.090 nan 8.210 nan 0.000 0.413 327 T N 0.047 114.619 114.554 0.029 0.000 2.759 327 T HA -0.179 4.171 4.350 0.001 0.000 0.269 327 T C 2.167 176.827 174.700 -0.067 0.000 1.042 327 T CA 1.778 63.885 62.100 0.012 0.000 1.140 327 T CB -0.227 68.661 68.868 0.034 0.000 0.864 327 T HN 0.282 nan 8.240 nan 0.000 0.455 328 S N 0.897 116.585 115.700 -0.020 0.000 2.370 328 S HA -0.060 4.411 4.470 0.001 0.000 0.226 328 S C 1.994 176.527 174.600 -0.112 0.000 1.033 328 S CA 1.006 59.160 58.200 -0.077 0.000 1.011 328 S CB -0.448 62.866 63.200 0.190 0.000 0.852 328 S HN 0.450 nan 8.310 nan 0.000 0.457 329 I N 1.184 121.725 120.570 -0.048 0.000 2.099 329 I HA -0.240 3.931 4.170 0.001 0.000 0.239 329 I C 2.369 178.423 176.117 -0.105 0.000 1.066 329 I CA 1.106 62.371 61.300 -0.057 0.000 1.324 329 I CB -0.380 37.597 38.000 -0.038 0.000 1.037 329 I HN 0.281 nan 8.210 nan 0.000 0.401 330 M N 0.215 119.745 119.600 -0.117 0.000 2.175 330 M HA -0.153 4.327 4.480 0.001 0.000 0.264 330 M C 2.193 178.378 176.300 -0.191 0.000 1.063 330 M CA 1.538 56.745 55.300 -0.156 0.000 1.119 330 M CB -1.208 31.296 32.600 -0.160 0.000 1.377 330 M HN 0.193 nan 8.290 nan 0.000 0.415 331 K N 0.223 120.489 120.400 -0.223 0.000 2.031 331 K HA -0.125 4.196 4.320 0.001 0.000 0.205 331 K C 2.215 178.679 176.600 -0.227 0.000 1.049 331 K CA 1.017 57.149 56.287 -0.258 0.000 0.939 331 K CB -0.082 32.200 32.500 -0.363 0.000 0.717 331 K HN 0.213 nan 8.250 nan 0.000 0.438 332 R N 0.907 121.262 120.500 -0.240 0.000 2.094 332 R HA -0.208 4.133 4.340 0.001 0.000 0.239 332 R C 2.129 178.373 176.300 -0.093 0.000 1.137 332 R CA 2.306 58.338 56.100 -0.113 0.000 0.943 332 R CB -0.386 29.883 30.300 -0.051 0.000 0.850 332 R HN 0.194 nan 8.270 nan 0.000 0.433 333 N N -0.279 118.357 118.700 -0.107 0.000 2.043 333 N HA -0.136 4.604 4.740 0.001 0.000 0.193 333 N C 1.662 177.101 175.510 -0.118 0.000 1.037 333 N CA 2.179 55.166 53.050 -0.104 0.000 0.851 333 N CB -0.186 38.235 38.487 -0.111 0.000 1.027 333 N HN 0.092 nan 8.380 nan 0.000 0.422 334 S N -0.835 114.778 115.700 -0.145 0.000 2.359 334 S HA -0.150 4.320 4.470 0.001 0.000 0.224 334 S C 2.214 176.742 174.600 -0.119 0.000 1.035 334 S CA 1.260 59.368 58.200 -0.154 0.000 1.018 334 S CB -0.568 62.516 63.200 -0.193 0.000 0.876 334 S HN 0.554 nan 8.310 nan 0.000 0.448 335 C N 1.007 120.246 119.300 -0.102 0.000 2.453 335 C HA 0.050 4.511 4.460 0.001 0.000 0.277 335 C C 2.941 177.895 174.990 -0.060 0.000 1.262 335 C CA 0.372 59.347 59.018 -0.072 0.000 1.718 335 C CB -1.741 25.968 27.740 -0.052 0.000 2.031 335 C HN 0.724 nan 8.230 nan 0.000 0.480 336 G N 0.775 109.540 108.800 -0.060 0.000 2.446 336 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 336 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 336 G C 1.694 176.557 174.900 -0.061 0.000 1.168 336 G CA 0.803 45.873 45.100 -0.051 0.000 0.771 336 G HN 0.453 nan 8.290 nan 0.000 0.551 337 K N 0.881 121.233 120.400 -0.079 0.000 2.155 337 K HA 0.179 4.499 4.320 0.001 0.000 0.203 337 K C 2.808 179.351 176.600 -0.094 0.000 1.052 337 K CA 0.961 57.194 56.287 -0.090 0.000 0.948 337 K CB -0.558 31.878 32.500 -0.108 0.000 0.728 337 K HN 0.276 nan 8.250 nan 0.000 0.448 338 A N 1.619 124.384 122.820 -0.092 0.000 1.898 338 A HA -0.139 4.182 4.320 0.001 0.000 0.216 338 A C 2.202 179.744 177.584 -0.071 0.000 1.181 338 A CA 1.104 53.087 52.037 -0.090 0.000 0.620 338 A CB -0.518 18.428 19.000 -0.089 0.000 0.819 338 A HN 0.202 nan 8.150 nan 0.000 0.442 339 L N 0.390 121.579 121.223 -0.056 0.000 1.994 339 L HA -0.184 4.156 4.340 0.001 0.000 0.208 339 L C 1.707 178.550 176.870 -0.044 0.000 1.071 339 L CA 2.652 57.468 54.840 -0.040 0.000 0.745 339 L CB -0.862 41.179 42.059 -0.030 0.000 0.892 339 L HN 0.360 nan 8.230 nan 0.000 0.431 340 D N -0.209 120.160 120.400 -0.051 0.000 2.133 340 D HA -0.242 4.398 4.640 0.001 0.000 0.195 340 D C 2.325 178.589 176.300 -0.059 0.000 0.997 340 D CA 2.090 56.059 54.000 -0.052 0.000 0.840 340 D CB -0.231 40.534 40.800 -0.059 0.000 0.947 340 D HN 0.465 nan 8.370 nan 0.000 0.452 341 I N 0.919 121.444 120.570 -0.074 0.000 2.252 341 I HA -0.221 3.950 4.170 0.001 0.000 0.245 341 I C 2.448 178.528 176.117 -0.061 0.000 1.102 341 I CA 0.910 62.162 61.300 -0.080 0.000 1.385 341 I CB -0.129 37.809 38.000 -0.103 0.000 1.064 341 I HN -0.076 nan 8.210 nan 0.000 0.414 342 A N 0.697 123.482 122.820 -0.058 0.000 1.933 342 A HA -0.187 4.134 4.320 0.001 0.000 0.218 342 A C 2.378 179.936 177.584 -0.043 0.000 1.175 342 A CA 1.425 53.433 52.037 -0.047 0.000 0.628 342 A CB -0.483 18.498 19.000 -0.032 0.000 0.814 342 A HN 0.318 nan 8.150 nan 0.000 0.444 343 R N -1.426 119.050 120.500 -0.039 0.000 2.090 343 R HA 0.016 4.357 4.340 0.001 0.000 0.228 343 R C 1.926 178.202 176.300 -0.041 0.000 1.110 343 R CA 0.917 56.996 56.100 -0.035 0.000 0.973 343 R CB -0.390 29.893 30.300 -0.028 0.000 0.869 343 R HN 0.399 nan 8.270 nan 0.000 0.440 344 L N 0.691 121.888 121.223 -0.043 0.000 2.017 344 L HA -0.109 4.232 4.340 0.001 0.000 0.208 344 L C 2.336 179.177 176.870 -0.048 0.000 1.073 344 L CA 1.911 56.726 54.840 -0.042 0.000 0.745 344 L CB -0.830 41.203 42.059 -0.045 0.000 0.894 344 L HN 0.134 nan 8.230 nan 0.000 0.432 345 A N -0.875 121.914 122.820 -0.051 0.000 1.902 345 A HA -0.251 4.069 4.320 0.001 0.000 0.217 345 A C 2.426 179.931 177.584 -0.132 0.000 1.181 345 A CA 1.745 53.741 52.037 -0.068 0.000 0.623 345 A CB -0.522 18.449 19.000 -0.049 0.000 0.818 345 A HN 0.376 nan 8.150 nan 0.000 0.443 346 R N 0.634 121.066 120.500 -0.115 0.000 2.096 346 R HA -0.118 4.222 4.340 0.001 0.000 0.235 346 R C 0.650 176.868 176.300 -0.137 0.000 1.127 346 R CA 2.002 58.018 56.100 -0.139 0.000 0.968 346 R CB -0.544 29.711 30.300 -0.075 0.000 0.861 346 R HN 0.449 nan 8.270 nan 0.000 0.440 347 D N -0.637 119.708 120.400 -0.091 0.000 2.349 347 D HA -0.006 4.634 4.640 0.001 0.000 0.224 347 D C 1.237 177.492 176.300 -0.074 0.000 1.029 347 D CA 0.635 54.596 54.000 -0.065 0.000 0.879 347 D CB 0.160 40.939 40.800 -0.035 0.000 0.906 347 D HN 0.373 nan 8.370 nan 0.000 0.528 348 M N -0.342 119.186 119.600 -0.120 0.000 2.534 348 M HA 0.119 4.599 4.480 0.001 0.000 0.263 348 M C 0.686 176.830 176.300 -0.260 0.000 1.152 348 M CA 0.286 55.517 55.300 -0.115 0.000 1.145 348 M CB 0.596 33.148 32.600 -0.079 0.000 1.333 348 M HN -0.152 nan 8.290 nan 0.000 0.477 349 L N 0.068 121.002 121.223 -0.482 0.000 2.453 349 L HA 0.387 4.728 4.340 0.001 0.000 0.261 349 L C 0.714 177.350 176.870 -0.391 0.000 1.179 349 L CA -0.689 53.618 54.840 -0.888 0.000 0.813 349 L CB 0.143 41.551 42.059 -1.086 0.000 1.110 349 L HN 0.085 nan 8.230 nan 0.000 0.466 359 G N 0.737 109.584 108.800 0.078 0.000 2.507 359 G HA2 -0.232 3.728 3.960 0.001 0.000 0.221 359 G HA3 -0.232 3.728 3.960 0.001 0.000 0.221 359 G C 1.654 176.539 174.900 -0.025 0.000 1.119 359 G CA 1.719 46.806 45.100 -0.023 0.000 0.751 359 G HN 0.247 nan 8.290 nan 0.000 0.574 360 V N 1.275 121.190 119.914 0.001 0.000 2.392 360 V HA -0.185 3.936 4.120 0.001 0.000 0.249 360 V C 3.286 179.371 176.094 -0.015 0.000 1.059 360 V CA 2.096 64.398 62.300 0.004 0.000 1.051 360 V CB -0.720 31.046 31.823 -0.096 0.000 0.658 360 V HN 0.508 nan 8.190 nan 0.000 0.455 361 A N -0.288 122.521 122.820 -0.018 0.000 1.930 361 A HA -0.234 4.087 4.320 0.001 0.000 0.217 361 A C 2.380 179.909 177.584 -0.092 0.000 1.175 361 A CA 1.891 53.926 52.037 -0.002 0.000 0.627 361 A CB -0.519 18.537 19.000 0.094 0.000 0.815 361 A HN 0.516 nan 8.150 nan 0.000 0.443 362 R N -1.189 119.163 120.500 -0.247 0.000 2.073 362 R HA -0.184 4.156 4.340 0.001 0.000 0.234 362 R C 2.014 178.068 176.300 -0.410 0.000 1.134 362 R CA 1.955 57.691 56.100 -0.607 0.000 0.952 362 R CB -0.481 29.288 30.300 -0.884 0.000 0.850 362 R HN 0.709 nan 8.270 nan 0.000 0.433 363 H N -0.483 118.451 119.070 -0.227 0.000 2.421 363 H HA -0.137 4.419 4.556 0.001 0.000 0.298 363 H C 1.815 177.083 175.328 -0.099 0.000 1.087 363 H CA 1.413 57.375 56.048 -0.144 0.000 1.330 363 H CB 0.143 29.844 29.762 -0.102 0.000 1.388 363 H HN 0.147 nan 8.280 nan 0.000 0.526 364 L N 0.702 121.946 121.223 0.035 0.000 2.005 364 L HA -0.123 4.217 4.340 0.001 0.000 0.207 364 L C 2.371 179.251 176.870 0.017 0.000 1.072 364 L CA 1.410 56.260 54.840 0.017 0.000 0.744 364 L CB -0.690 41.372 42.059 0.005 0.000 0.895 364 L HN 0.259 nan 8.230 nan 0.000 0.433 365 V N -2.404 117.521 119.914 0.018 0.000 2.427 365 V HA -0.231 3.890 4.120 0.001 0.000 0.248 365 V C 2.132 178.263 176.094 0.061 0.000 1.051 365 V CA 2.061 64.397 62.300 0.060 0.000 1.048 365 V CB -1.553 30.350 31.823 0.133 0.000 0.666 365 V HN 0.574 nan 8.190 nan 0.000 0.456 366 N N 1.110 119.835 118.700 0.042 0.000 2.021 366 N HA -0.186 4.555 4.740 0.001 0.000 0.198 366 N C 1.857 177.387 175.510 0.034 0.000 1.041 366 N CA 2.087 55.163 53.050 0.044 0.000 0.862 366 N CB -0.425 38.065 38.487 0.005 0.000 1.048 366 N HN 0.430 nan 8.380 nan 0.000 0.427 367 L N 1.096 122.337 121.223 0.030 0.000 2.131 367 L HA -0.140 4.200 4.340 0.001 0.000 0.210 367 L C 2.164 179.041 176.870 0.012 0.000 1.092 367 L CA 1.056 55.906 54.840 0.016 0.000 0.759 367 L CB -0.325 41.738 42.059 0.007 0.000 0.903 367 L HN 0.226 nan 8.230 nan 0.000 0.435 368 E N -0.358 119.852 120.200 0.016 0.000 2.058 368 E HA -0.211 4.140 4.350 0.001 0.000 0.194 368 E C 2.268 178.874 176.600 0.010 0.000 0.997 368 E CA 1.519 57.926 56.400 0.012 0.000 0.801 368 E CB -0.093 29.616 29.700 0.015 0.000 0.746 368 E HN 0.257 nan 8.360 nan 0.000 0.450 369 V N 0.558 120.480 119.914 0.014 0.000 2.295 369 V HA -0.227 3.894 4.120 0.001 0.000 0.246 369 V C 2.289 178.412 176.094 0.049 0.000 1.049 369 V CA 1.303 63.608 62.300 0.008 0.000 1.024 369 V CB -0.345 31.480 31.823 0.003 0.000 0.648 369 V HN 0.145 nan 8.190 nan 0.000 0.447 370 V N 0.444 120.382 119.914 0.041 0.000 2.343 370 V HA -0.274 3.847 4.120 0.001 0.000 0.247 370 V C 2.302 178.430 176.094 0.058 0.000 1.051 370 V CA 2.455 64.778 62.300 0.038 0.000 1.036 370 V CB -0.952 30.869 31.823 -0.004 0.000 0.654 370 V HN 0.593 nan 8.190 nan 0.000 0.451 371 N N 0.259 118.978 118.700 0.032 0.000 2.223 371 N HA -0.139 4.601 4.740 0.001 0.000 0.185 371 N C 1.602 177.137 175.510 0.041 0.000 1.016 371 N CA 1.785 54.851 53.050 0.027 0.000 0.863 371 N CB -0.078 38.412 38.487 0.005 0.000 0.983 371 N HN 0.666 nan 8.380 nan 0.000 0.429 372 T N -3.727 110.851 114.554 0.041 0.000 3.092 372 T HA 0.049 4.400 4.350 0.001 0.000 0.258 372 T C 1.476 176.189 174.700 0.022 0.000 1.031 372 T CA -0.429 61.682 62.100 0.017 0.000 0.925 372 T CB -0.547 68.311 68.868 -0.016 0.000 1.036 372 T HN 0.218 nan 8.240 nan 0.000 0.544 373 Y N 2.621 122.892 120.300 -0.047 0.000 2.165 373 Y HA -0.049 4.502 4.550 0.001 0.000 0.286 373 Y C 1.656 177.548 175.900 -0.014 0.000 1.155 373 Y CA 1.535 59.606 58.100 -0.048 0.000 1.164 373 Y CB -0.043 38.401 38.460 -0.026 0.000 0.978 373 Y HN 0.293 nan 8.280 nan 0.000 0.513 374 E N 0.818 121.120 120.200 0.169 0.000 2.304 374 E HA 0.296 4.647 4.350 0.001 0.000 0.212 374 E C 0.492 177.073 176.600 -0.031 0.000 1.185 374 E CA 0.249 56.707 56.400 0.098 0.000 1.326 374 E CB -0.433 29.362 29.700 0.158 0.000 1.283 374 E HN 0.595 nan 8.360 nan 0.000 0.440 375 G N 0.519 109.289 108.800 -0.050 0.000 2.685 375 G HA2 -0.258 3.702 3.960 0.001 0.000 0.387 375 G HA3 -0.258 3.702 3.960 0.001 0.000 0.387 375 G C 0.266 175.140 174.900 -0.043 0.000 1.324 375 G CA -0.174 44.913 45.100 -0.022 0.000 0.878 375 G HN 0.168 nan 8.290 nan 0.000 0.527 376 T N -0.416 114.155 114.554 0.028 0.000 3.132 376 T HA 0.272 4.623 4.350 0.001 0.000 0.274 376 T C 1.178 175.903 174.700 0.043 0.000 1.011 376 T CA 1.033 63.144 62.100 0.018 0.000 0.899 376 T CB -0.413 68.476 68.868 0.034 0.000 1.089 376 T HN 1.039 nan 8.240 nan 0.000 0.543 377 H N -0.639 118.427 119.070 -0.006 0.000 2.528 377 H HA 0.288 4.845 4.556 0.001 0.000 0.282 377 H C -0.190 175.136 175.328 -0.005 0.000 1.097 377 H CA -0.099 55.946 56.048 -0.006 0.000 1.121 377 H CB -0.138 29.617 29.762 -0.011 0.000 1.590 377 H HN 0.219 nan 8.280 nan 0.000 0.553 378 D N 1.567 121.782 120.400 -0.309 0.000 2.828 378 D HA -0.225 4.416 4.640 0.001 0.000 0.241 378 D C 1.150 177.305 176.300 -0.240 0.000 1.142 378 D CA 0.620 54.510 54.000 -0.184 0.000 0.755 378 D CB -1.614 39.158 40.800 -0.047 0.000 1.014 378 D HN 0.692 nan 8.370 nan 0.000 0.420 379 I N 0.759 121.039 120.570 -0.484 0.000 2.248 379 I HA -0.335 3.836 4.170 0.001 0.000 0.248 379 I C 1.849 177.819 176.117 -0.246 0.000 1.107 379 I CA 1.385 62.460 61.300 -0.375 0.000 1.373 379 I CB -0.064 37.682 38.000 -0.423 0.000 1.055 379 I HN 0.339 nan 8.210 nan 0.000 0.418 380 H N 0.773 119.824 119.070 -0.032 0.000 2.395 380 H HA 0.037 4.594 4.556 0.001 0.000 0.299 380 H C 2.334 177.665 175.328 0.005 0.000 1.070 380 H CA 1.214 57.265 56.048 0.005 0.000 1.356 380 H CB -0.338 29.425 29.762 0.002 0.000 1.401 380 H HN 0.490 nan 8.280 nan 0.000 0.524 381 A N 1.620 124.496 122.820 0.093 0.000 1.948 381 A HA -0.144 4.177 4.320 0.001 0.000 0.220 381 A C 2.621 180.233 177.584 0.047 0.000 1.177 381 A CA 1.269 53.339 52.037 0.056 0.000 0.636 381 A CB -0.824 18.196 19.000 0.033 0.000 0.815 381 A HN 0.271 nan 8.150 nan 0.000 0.449 382 L N -1.220 120.028 121.223 0.041 0.000 2.068 382 L HA -0.068 4.272 4.340 0.001 0.000 0.204 382 L C 2.439 179.332 176.870 0.039 0.000 1.076 382 L CA 0.954 55.818 54.840 0.041 0.000 0.753 382 L CB -0.653 41.440 42.059 0.056 0.000 0.910 382 L HN 0.280 nan 8.230 nan 0.000 0.439 383 I N 0.345 120.942 120.570 0.044 0.000 2.185 383 I HA -0.350 3.820 4.170 0.001 0.000 0.246 383 I C 2.464 178.614 176.117 0.055 0.000 1.088 383 I CA 1.641 62.974 61.300 0.055 0.000 1.347 383 I CB -0.196 37.865 38.000 0.102 0.000 1.041 383 I HN 0.219 nan 8.210 nan 0.000 0.415 384 L N -0.427 120.833 121.223 0.063 0.000 2.131 384 L HA -0.047 4.294 4.340 0.001 0.000 0.206 384 L C 2.652 179.541 176.870 0.031 0.000 1.087 384 L CA 1.228 56.097 54.840 0.048 0.000 0.767 384 L CB -1.092 40.996 42.059 0.049 0.000 0.917 384 L HN 0.309 nan 8.230 nan 0.000 0.441 385 G N 0.264 109.082 108.800 0.029 0.000 2.421 385 G HA2 -0.314 3.646 3.960 0.001 0.000 0.216 385 G HA3 -0.314 3.646 3.960 0.001 0.000 0.216 385 G C 1.704 176.614 174.900 0.017 0.000 1.171 385 G CA 0.897 46.009 45.100 0.021 0.000 0.775 385 G HN 0.274 nan 8.290 nan 0.000 0.543 386 R N 0.662 121.172 120.500 0.017 0.000 2.096 386 R HA 0.118 4.458 4.340 0.001 0.000 0.235 386 R C 2.682 178.987 176.300 0.009 0.000 1.127 386 R CA 1.631 57.737 56.100 0.011 0.000 0.968 386 R CB -0.419 29.885 30.300 0.008 0.000 0.861 386 R HN 0.258 nan 8.270 nan 0.000 0.440 387 A N 0.232 123.061 122.820 0.015 0.000 1.968 387 A HA -0.114 4.207 4.320 0.001 0.000 0.217 387 A C 1.991 179.582 177.584 0.012 0.000 1.169 387 A CA 1.141 53.186 52.037 0.014 0.000 0.638 387 A CB -0.284 18.730 19.000 0.022 0.000 0.812 387 A HN 0.503 nan 8.150 nan 0.000 0.446 388 Q N -0.892 118.915 119.800 0.012 0.000 2.123 388 Q HA -0.097 4.244 4.340 0.001 0.000 0.199 388 Q C 2.128 178.132 176.000 0.006 0.000 0.966 388 Q CA 1.857 57.666 55.803 0.009 0.000 0.845 388 Q CB -0.060 28.683 28.738 0.009 0.000 0.907 388 Q HN 0.859 nan 8.270 nan 0.000 0.439 389 T N -5.299 109.259 114.554 0.006 0.000 2.990 389 T HA 0.303 4.653 4.350 0.001 0.000 0.249 389 T C 1.438 176.140 174.700 0.002 0.000 1.039 389 T CA 0.591 62.694 62.100 0.004 0.000 1.036 389 T CB 0.841 69.712 68.868 0.004 0.000 0.994 389 T HN 0.383 nan 8.240 nan 0.000 0.489 390 G N 1.447 110.248 108.800 0.002 0.000 2.225 390 G HA2 -0.203 3.758 3.960 0.001 0.000 0.254 390 G HA3 -0.203 3.758 3.960 0.001 0.000 0.254 390 G C -0.055 174.844 174.900 -0.002 0.000 0.988 390 G CA 0.160 45.260 45.100 -0.001 0.000 0.625 390 G HN 0.635 nan 8.290 nan 0.000 0.527 391 I N 1.142 121.712 120.570 -0.000 0.000 2.362 391 I HA 0.445 4.616 4.170 0.001 0.000 0.289 391 I C 0.410 176.527 176.117 -0.000 0.000 0.994 391 I CA -0.815 60.485 61.300 -0.001 0.000 1.158 391 I CB 1.831 39.831 38.000 -0.000 0.000 1.315 391 I HN 0.232 nan 8.210 nan 0.000 0.451 392 Q N 4.832 124.630 119.800 -0.003 0.000 2.392 392 Q HA 0.521 4.861 4.340 0.001 0.000 0.262 392 Q C -0.174 175.826 176.000 -0.000 0.000 1.003 392 Q CA -0.058 55.744 55.803 -0.003 0.000 0.888 392 Q CB 1.196 29.929 28.738 -0.008 0.000 1.260 392 Q HN 0.755 nan 8.270 nan 0.000 0.435 393 A N 0.000 122.823 122.820 0.004 0.000 2.254 393 A HA 0.000 4.321 4.320 0.001 0.000 0.244 393 A CA 0.000 52.040 52.037 0.005 0.000 0.836 393 A CB 0.000 19.010 19.000 0.016 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486