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 1ytv_1_B DATA FIRST_RESID 15 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQT 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 15 K HA 0.000 nan 4.320 nan 0.000 0.191 15 K C 0.000 176.579 176.600 -0.035 0.000 0.988 15 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 15 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 16 I N 2.373 122.916 120.570 -0.045 0.000 3.112 16 I HA 0.075 4.245 4.170 0.001 0.000 0.284 16 I C 0.042 176.137 176.117 -0.038 0.000 1.227 16 I CA 0.516 61.785 61.300 -0.051 0.000 1.369 16 I CB 0.267 38.231 38.000 -0.061 0.000 1.376 16 I HN 0.318 nan 8.210 nan 0.000 0.608 17 E N 2.373 122.550 120.200 -0.038 0.000 2.263 17 E HA 0.367 4.717 4.350 0.001 0.000 0.268 17 E C -1.406 175.179 176.600 -0.026 0.000 0.884 17 E CA -0.649 55.734 56.400 -0.028 0.000 0.766 17 E CB 1.149 30.836 29.700 -0.023 0.000 1.196 17 E HN 0.587 nan 8.360 nan 0.000 0.416 18 E N 1.859 122.048 120.200 -0.019 0.000 2.319 18 E HA 0.426 4.777 4.350 0.001 0.000 0.268 18 E C 0.342 176.938 176.600 -0.008 0.000 1.050 18 E CA -0.090 56.302 56.400 -0.013 0.000 0.878 18 E CB 1.215 30.908 29.700 -0.011 0.000 1.066 18 E HN 0.832 nan 8.360 nan 0.000 0.406 19 G N 1.953 110.753 108.800 -0.000 0.000 2.198 19 G HA2 -0.317 3.644 3.960 0.001 0.000 0.257 19 G HA3 -0.317 3.644 3.960 0.001 0.000 0.257 19 G C -0.043 174.860 174.900 0.005 0.000 1.042 19 G CA 0.894 45.997 45.100 0.005 0.000 0.791 19 G HN 0.416 nan 8.290 nan 0.000 0.502 20 K N -0.847 119.555 120.400 0.002 0.000 2.568 20 K HA 0.692 5.013 4.320 0.001 0.000 0.273 20 K C -1.237 175.347 176.600 -0.027 0.000 0.951 20 K CA -1.094 55.189 56.287 -0.007 0.000 0.854 20 K CB 1.210 33.701 32.500 -0.015 0.000 1.424 20 K HN 0.126 nan 8.250 nan 0.000 0.427 21 L N 3.339 124.529 121.223 -0.055 0.000 2.372 21 L HA 0.465 4.806 4.340 0.001 0.000 0.274 21 L C -0.937 175.864 176.870 -0.114 0.000 0.988 21 L CA -1.161 53.610 54.840 -0.116 0.000 0.833 21 L CB 1.969 43.890 42.059 -0.230 0.000 1.236 21 L HN 0.307 nan 8.230 nan 0.000 0.410 22 V N 5.077 124.933 119.914 -0.097 0.000 2.370 22 V HA 0.483 4.603 4.120 0.001 0.000 0.283 22 V C 0.107 176.162 176.094 -0.065 0.000 1.023 22 V CA -0.287 61.978 62.300 -0.059 0.000 0.857 22 V CB 1.887 33.672 31.823 -0.064 0.000 0.985 22 V HN 0.506 nan 8.190 nan 0.000 0.443 23 I N 3.770 124.364 120.570 0.040 0.000 2.474 23 I HA 0.482 4.653 4.170 0.001 0.000 0.294 23 I C -1.121 175.227 176.117 0.385 0.000 1.005 23 I CA -0.462 60.925 61.300 0.145 0.000 1.113 23 I CB 2.250 40.329 38.000 0.132 0.000 1.289 23 I HN 0.499 nan 8.210 nan 0.000 0.436 24 W N 6.986 128.363 121.300 0.129 0.000 2.587 24 W HA 0.727 5.388 4.660 0.001 0.000 0.324 24 W C -0.492 176.146 176.519 0.198 0.000 1.040 24 W CA -1.026 56.383 57.345 0.107 0.000 1.222 24 W CB 1.471 30.975 29.460 0.074 0.000 1.381 24 W HN 0.206 nan 8.180 nan 0.000 0.483 25 I N 3.136 123.888 120.570 0.303 0.000 2.841 25 I HA 0.251 4.422 4.170 0.001 0.000 0.298 25 I C -0.188 176.012 176.117 0.140 0.000 1.304 25 I CA -0.784 60.646 61.300 0.217 0.000 1.019 25 I CB 1.722 39.697 38.000 -0.042 0.000 1.282 25 I HN 0.313 nan 8.210 nan 0.000 0.432 26 N N 3.749 122.515 118.700 0.111 0.000 2.407 26 N HA 0.006 4.747 4.740 0.001 0.000 0.250 26 N C 0.890 176.381 175.510 -0.032 0.000 1.236 26 N CA 1.156 54.216 53.050 0.018 0.000 0.879 26 N CB 1.678 40.050 38.487 -0.192 0.000 1.088 26 N HN 0.904 nan 8.380 nan 0.000 0.450 27 G N 2.284 111.053 108.800 -0.052 0.000 2.498 27 G HA2 -0.201 3.760 3.960 0.001 0.000 0.219 27 G HA3 -0.201 3.760 3.960 0.001 0.000 0.219 27 G C 0.808 175.696 174.900 -0.020 0.000 1.119 27 G CA 0.414 45.453 45.100 -0.103 0.000 0.766 27 G HN 0.685 nan 8.290 nan 0.000 0.552 28 D N -0.212 120.104 120.400 -0.141 0.000 2.340 28 D HA 0.069 4.710 4.640 0.001 0.000 0.220 28 D C 1.052 177.291 176.300 -0.102 0.000 1.039 28 D CA 0.416 54.328 54.000 -0.146 0.000 0.866 28 D CB 0.404 40.991 40.800 -0.356 0.000 0.913 28 D HN 0.170 nan 8.370 nan 0.000 0.523 29 K N -0.009 120.331 120.400 -0.100 0.000 2.148 29 K HA 0.393 4.714 4.320 0.001 0.000 0.239 29 K C 0.875 177.436 176.600 -0.066 0.000 1.018 29 K CA -0.671 55.576 56.287 -0.066 0.000 0.923 29 K CB 0.427 32.864 32.500 -0.105 0.000 1.117 29 K HN -0.164 nan 8.250 nan 0.000 0.477 30 G N 1.761 110.510 108.800 -0.084 0.000 3.213 30 G HA2 0.092 4.052 3.960 0.001 0.000 0.263 30 G HA3 0.092 4.052 3.960 0.001 0.000 0.263 30 G C 0.776 175.577 174.900 -0.165 0.000 0.829 30 G CA -0.175 44.827 45.100 -0.163 0.000 1.983 30 G HN 0.595 nan 8.290 nan 0.000 0.616 31 Y N -0.433 119.806 120.300 -0.103 0.000 2.352 31 Y HA -0.073 4.477 4.550 0.001 0.000 0.292 31 Y C 2.027 177.907 175.900 -0.034 0.000 1.136 31 Y CA 1.096 59.145 58.100 -0.084 0.000 1.227 31 Y CB -0.516 37.906 38.460 -0.064 0.000 0.991 31 Y HN 0.386 nan 8.280 nan 0.000 0.545 32 N N 0.563 119.087 118.700 -0.294 0.000 2.216 32 N HA -0.058 4.683 4.740 0.001 0.000 0.183 32 N C 2.177 177.664 175.510 -0.039 0.000 1.017 32 N CA 0.858 53.847 53.050 -0.102 0.000 0.861 32 N CB -0.410 37.949 38.487 -0.214 0.000 0.986 32 N HN 0.557 nan 8.380 nan 0.000 0.428 33 G N 1.162 109.916 108.800 -0.077 0.000 2.402 33 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 33 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 33 G C 1.434 176.345 174.900 0.017 0.000 1.162 33 G CA 0.317 45.403 45.100 -0.024 0.000 0.777 33 G HN 0.150 nan 8.290 nan 0.000 0.539 34 L N 1.405 122.635 121.223 0.013 0.000 2.083 34 L HA 0.181 4.522 4.340 0.001 0.000 0.209 34 L C 2.987 179.930 176.870 0.122 0.000 1.083 34 L CA 1.985 56.858 54.840 0.056 0.000 0.752 34 L CB -0.631 41.412 42.059 -0.027 0.000 0.899 34 L HN 0.221 nan 8.230 nan 0.000 0.433 35 A N -0.844 122.035 122.820 0.100 0.000 1.972 35 A HA -0.212 4.109 4.320 0.001 0.000 0.219 35 A C 2.132 179.781 177.584 0.109 0.000 1.169 35 A CA 1.728 53.828 52.037 0.104 0.000 0.635 35 A CB -0.551 18.515 19.000 0.111 0.000 0.810 35 A HN 0.630 nan 8.150 nan 0.000 0.446 36 E N -0.365 119.892 120.200 0.096 0.000 2.106 36 E HA -0.107 4.243 4.350 0.001 0.000 0.192 36 E C 1.882 178.567 176.600 0.142 0.000 0.984 36 E CA 1.220 57.678 56.400 0.097 0.000 0.806 36 E CB -0.238 29.502 29.700 0.067 0.000 0.750 36 E HN 0.421 nan 8.360 nan 0.000 0.458 37 V N 0.901 120.918 119.914 0.173 0.000 2.515 37 V HA -0.164 3.957 4.120 0.001 0.000 0.250 37 V C 2.312 178.644 176.094 0.396 0.000 1.058 37 V CA 1.833 64.282 62.300 0.249 0.000 1.064 37 V CB -0.857 31.085 31.823 0.199 0.000 0.675 37 V HN 0.394 nan 8.190 nan 0.000 0.461 38 G N 0.037 109.039 108.800 0.338 0.000 2.418 38 G HA2 -0.231 3.729 3.960 0.001 0.000 0.217 38 G HA3 -0.231 3.729 3.960 0.001 0.000 0.217 38 G C 1.650 176.667 174.900 0.196 0.000 1.158 38 G CA 0.738 45.973 45.100 0.225 0.000 0.771 38 G HN 0.481 nan 8.290 nan 0.000 0.545 39 K N 0.191 120.685 120.400 0.156 0.000 2.097 39 K HA -0.067 4.254 4.320 0.001 0.000 0.206 39 K C 2.396 179.082 176.600 0.144 0.000 1.049 39 K CA 1.295 57.654 56.287 0.121 0.000 0.933 39 K CB -0.075 32.482 32.500 0.095 0.000 0.717 39 K HN 0.175 nan 8.250 nan 0.000 0.442 40 K N 1.012 121.534 120.400 0.203 0.000 2.032 40 K HA -0.163 4.158 4.320 0.001 0.000 0.209 40 K C 1.775 178.524 176.600 0.248 0.000 1.048 40 K CA 1.306 57.742 56.287 0.248 0.000 0.927 40 K CB -0.435 32.268 32.500 0.339 0.000 0.712 40 K HN 0.035 nan 8.250 nan 0.000 0.441 41 F N 1.768 121.710 119.950 -0.014 0.000 2.134 41 F HA -0.119 4.408 4.527 0.001 0.000 0.299 41 F C 2.190 177.909 175.800 -0.135 0.000 1.097 41 F CA 1.944 59.744 58.000 -0.332 0.000 1.264 41 F CB -0.294 38.543 39.000 -0.273 0.000 1.001 41 F HN 0.265 nan 8.300 nan 0.000 0.479 42 E N 0.724 120.944 120.200 0.032 0.000 2.077 42 E HA -0.296 4.054 4.350 0.001 0.000 0.193 42 E C 2.110 178.667 176.600 -0.072 0.000 0.989 42 E CA 1.681 58.056 56.400 -0.040 0.000 0.800 42 E CB -0.186 29.530 29.700 0.028 0.000 0.746 42 E HN 0.599 nan 8.360 nan 0.000 0.452 43 K N -0.283 120.106 120.400 -0.018 0.000 2.365 43 K HA -0.095 4.226 4.320 0.001 0.000 0.199 43 K C 1.140 177.721 176.600 -0.032 0.000 1.045 43 K CA 1.556 57.837 56.287 -0.009 0.000 0.962 43 K CB 0.235 32.754 32.500 0.030 0.000 0.759 43 K HN -0.011 nan 8.250 nan 0.000 0.469 44 D N 0.741 121.100 120.400 -0.069 0.000 2.277 44 D HA -0.055 4.586 4.640 0.001 0.000 0.209 44 D C 1.660 177.858 176.300 -0.171 0.000 0.970 44 D CA 1.649 55.608 54.000 -0.067 0.000 0.874 44 D CB 0.526 41.353 40.800 0.046 0.000 0.982 44 D HN 0.512 nan 8.370 nan 0.000 0.504 45 T N -4.000 110.351 114.554 -0.338 0.000 2.971 45 T HA 0.376 4.726 4.350 0.001 0.000 0.252 45 T C 1.690 176.259 174.700 -0.218 0.000 1.022 45 T CA 0.842 62.730 62.100 -0.354 0.000 0.980 45 T CB 1.081 69.529 68.868 -0.699 0.000 1.044 45 T HN 0.136 nan 8.240 nan 0.000 0.501 46 G N 2.156 110.851 108.800 -0.175 0.000 2.225 46 G HA2 -0.225 3.735 3.960 0.001 0.000 0.254 46 G HA3 -0.225 3.735 3.960 0.001 0.000 0.254 46 G C 0.039 174.894 174.900 -0.074 0.000 0.988 46 G CA 0.090 45.132 45.100 -0.096 0.000 0.625 46 G HN 1.108 nan 8.290 nan 0.000 0.527 47 I N -0.414 120.100 120.570 -0.095 0.000 2.428 47 I HA 0.752 4.923 4.170 0.001 0.000 0.289 47 I C 0.318 176.444 176.117 0.015 0.000 1.019 47 I CA -1.288 59.998 61.300 -0.022 0.000 1.351 47 I CB 1.240 39.253 38.000 0.022 0.000 1.412 47 I HN 0.187 nan 8.210 nan 0.000 0.513 48 K N 5.048 125.455 120.400 0.012 0.000 2.270 48 K HA 0.537 4.858 4.320 0.001 0.000 0.276 48 K C -1.268 175.334 176.600 0.003 0.000 1.023 48 K CA -0.580 55.715 56.287 0.013 0.000 0.955 48 K CB 1.009 33.512 32.500 0.005 0.000 0.975 48 K HN 0.664 nan 8.250 nan 0.000 0.471 49 V N 3.669 123.575 119.914 -0.012 0.000 2.409 49 V HA 0.233 4.354 4.120 0.001 0.000 0.291 49 V C -0.582 175.479 176.094 -0.055 0.000 1.020 49 V CA -0.771 61.475 62.300 -0.090 0.000 0.848 49 V CB 1.647 33.351 31.823 -0.200 0.000 0.990 49 V HN 0.857 nan 8.190 nan 0.000 0.430 50 T N 4.692 119.218 114.554 -0.047 0.000 2.758 50 T HA 0.514 4.865 4.350 0.001 0.000 0.285 50 T C -0.234 174.477 174.700 0.020 0.000 0.981 50 T CA -0.310 61.789 62.100 -0.002 0.000 0.965 50 T CB 1.434 70.310 68.868 0.012 0.000 0.927 50 T HN 0.336 nan 8.240 nan 0.000 0.448 51 V N 4.630 124.570 119.914 0.043 0.000 2.394 51 V HA 0.439 4.560 4.120 0.001 0.000 0.282 51 V C 0.116 176.249 176.094 0.065 0.000 1.031 51 V CA -0.632 61.715 62.300 0.078 0.000 0.881 51 V CB 1.319 33.201 31.823 0.099 0.000 0.982 51 V HN 0.848 nan 8.190 nan 0.000 0.451 52 E N 2.787 123.030 120.200 0.072 0.000 2.336 52 E HA 0.593 4.944 4.350 0.001 0.000 0.267 52 E C -1.284 175.203 176.600 -0.187 0.000 0.906 52 E CA -0.839 55.489 56.400 -0.119 0.000 0.781 52 E CB 2.239 31.883 29.700 -0.093 0.000 1.261 52 E HN 0.990 nan 8.360 nan 0.000 0.436 53 H N -1.219 117.625 119.070 -0.377 0.000 2.379 53 H HA 0.399 4.955 4.556 0.001 0.000 0.229 53 H C -2.833 172.265 175.328 -0.383 0.000 1.423 53 H CA -2.258 53.557 56.048 -0.387 0.000 1.375 53 H CB -0.343 29.089 29.762 -0.550 0.000 1.592 53 H HN 0.134 nan 8.280 nan 0.000 0.507 54 P HA 0.055 nan 4.420 nan 0.000 0.272 54 P C -0.076 177.045 177.300 -0.299 0.000 1.230 54 P CA -0.147 62.644 63.100 -0.516 0.000 0.788 54 P CB 0.845 32.024 31.700 -0.868 0.000 0.949 55 D N 1.641 121.907 120.400 -0.224 0.000 2.345 55 D HA 0.054 4.695 4.640 0.001 0.000 0.247 55 D C 0.309 176.528 176.300 -0.136 0.000 1.108 55 D CA -0.004 53.919 54.000 -0.129 0.000 0.894 55 D CB 0.219 40.961 40.800 -0.097 0.000 1.203 55 D HN 0.304 nan 8.370 nan 0.000 0.430 56 K N 0.699 121.050 120.400 -0.082 0.000 3.071 56 K HA -0.227 4.094 4.320 0.001 0.000 0.262 56 K C 1.192 177.691 176.600 -0.169 0.000 0.977 56 K CA 0.064 56.287 56.287 -0.107 0.000 0.721 56 K CB -1.510 30.941 32.500 -0.082 0.000 1.293 56 K HN 0.374 nan 8.250 nan 0.000 0.475 57 L N -0.367 120.753 121.223 -0.172 0.000 2.191 57 L HA -0.152 4.188 4.340 0.001 0.000 0.212 57 L C 2.288 179.089 176.870 -0.115 0.000 1.103 57 L CA 1.959 56.715 54.840 -0.140 0.000 0.769 57 L CB -0.461 41.562 42.059 -0.059 0.000 0.908 57 L HN 0.341 nan 8.230 nan 0.000 0.438 58 E N 1.035 120.934 120.200 -0.502 0.000 2.338 58 E HA -0.241 4.109 4.350 0.001 0.000 0.197 58 E C 1.401 177.878 176.600 -0.205 0.000 1.007 58 E CA 1.648 57.665 56.400 -0.639 0.000 0.849 58 E CB -0.307 28.386 29.700 -1.679 0.000 0.774 58 E HN 0.839 nan 8.360 nan 0.000 0.506 59 E N -0.019 120.086 120.200 -0.158 0.000 2.340 59 E HA 0.056 4.407 4.350 0.001 0.000 0.198 59 E C 1.641 178.231 176.600 -0.016 0.000 0.961 59 E CA 0.085 56.449 56.400 -0.059 0.000 0.905 59 E CB 0.307 29.965 29.700 -0.070 0.000 0.884 59 E HN -0.009 nan 8.360 nan 0.000 0.491 60 K N 0.526 120.932 120.400 0.009 0.000 2.116 60 K HA -0.006 4.315 4.320 0.001 0.000 0.203 60 K C 1.514 178.196 176.600 0.137 0.000 1.052 60 K CA 0.440 56.764 56.287 0.062 0.000 0.952 60 K CB -0.367 32.160 32.500 0.045 0.000 0.729 60 K HN 0.028 nan 8.250 nan 0.000 0.446 61 F N 3.249 123.235 119.950 0.060 0.000 2.063 61 F HA -0.185 4.343 4.527 0.001 0.000 0.298 61 F C -1.087 174.544 175.800 -0.283 0.000 1.109 61 F CA 1.345 59.269 58.000 -0.126 0.000 1.212 61 F CB -1.021 37.764 39.000 -0.359 0.000 0.973 61 F HN 0.062 nan 8.300 nan 0.000 0.480 62 P HA -0.196 nan 4.420 nan 0.000 0.220 62 P C 1.101 178.210 177.300 -0.319 0.000 1.148 62 P CA 1.777 64.624 63.100 -0.421 0.000 0.803 62 P CB -0.228 31.414 31.700 -0.097 0.000 0.782 63 Q N -0.039 119.633 119.800 -0.213 0.000 2.049 63 Q HA -0.060 4.281 4.340 0.001 0.000 0.198 63 Q C 2.376 178.267 176.000 -0.182 0.000 0.971 63 Q CA 1.742 57.453 55.803 -0.153 0.000 0.833 63 Q CB -0.539 28.149 28.738 -0.084 0.000 0.896 63 Q HN 0.234 nan 8.270 nan 0.000 0.434 64 V N -2.243 117.548 119.914 -0.205 0.000 2.488 64 V HA 0.064 4.185 4.120 0.001 0.000 0.246 64 V C 2.146 178.044 176.094 -0.327 0.000 1.046 64 V CA 1.334 63.513 62.300 -0.201 0.000 1.053 64 V CB -0.986 30.772 31.823 -0.108 0.000 0.679 64 V HN 0.223 nan 8.190 nan 0.000 0.458 65 A N 0.866 123.344 122.820 -0.570 0.000 1.969 65 A HA 0.157 4.478 4.320 0.001 0.000 0.218 65 A C 2.431 179.766 177.584 -0.414 0.000 1.169 65 A CA 1.879 53.526 52.037 -0.651 0.000 0.635 65 A CB -0.945 17.271 19.000 -1.305 0.000 0.810 65 A HN 0.943 nan 8.150 nan 0.000 0.445 66 A N -0.481 122.128 122.820 -0.352 0.000 2.024 66 A HA 0.065 4.386 4.320 0.001 0.000 0.220 66 A C 1.887 179.372 177.584 -0.166 0.000 1.164 66 A CA 2.222 54.124 52.037 -0.225 0.000 0.643 66 A CB -0.825 18.067 19.000 -0.181 0.000 0.806 66 A HN 0.707 nan 8.150 nan 0.000 0.451 67 T N -4.508 109.945 114.554 -0.168 0.000 2.628 67 T HA 0.523 4.873 4.350 0.001 0.000 0.223 67 T C 0.770 175.394 174.700 -0.127 0.000 0.959 67 T CA 0.174 62.200 62.100 -0.124 0.000 1.113 67 T CB 0.522 69.328 68.868 -0.102 0.000 2.140 67 T HN 0.514 nan 8.240 nan 0.000 0.516 68 G N 1.011 109.748 108.800 -0.104 0.000 3.963 68 G HA2 0.547 4.508 3.960 0.001 0.000 0.315 68 G HA3 0.547 4.508 3.960 0.001 0.000 0.315 68 G C -1.003 173.836 174.900 -0.102 0.000 1.254 68 G CA -0.199 44.843 45.100 -0.097 0.000 1.395 68 G HN 0.687 nan 8.290 nan 0.000 0.538 69 D N -0.096 120.222 120.400 -0.138 0.000 2.879 69 D HA 0.538 5.178 4.640 0.001 0.000 0.346 69 D C 0.210 176.380 176.300 -0.217 0.000 1.390 69 D CA 0.841 54.759 54.000 -0.137 0.000 0.838 69 D CB 1.327 42.069 40.800 -0.096 0.000 1.416 69 D HN 1.158 nan 8.370 nan 0.000 0.493 70 G N 0.494 109.153 108.800 -0.236 0.000 2.612 70 G HA2 0.050 4.011 3.960 0.001 0.000 0.686 70 G HA3 0.050 4.011 3.960 0.001 0.000 0.686 70 G C -2.909 171.688 174.900 -0.505 0.000 1.274 70 G CA -0.406 44.423 45.100 -0.451 0.000 0.849 70 G HN 0.404 nan 8.290 nan 0.000 0.595 71 P HA 0.346 nan 4.420 nan 0.000 0.276 71 P C -0.005 177.101 177.300 -0.323 0.000 1.261 71 P CA -0.251 62.447 63.100 -0.669 0.000 0.800 71 P CB 1.176 32.169 31.700 -1.179 0.000 1.066 72 D N -0.137 120.134 120.400 -0.215 0.000 2.137 72 D HA 0.066 4.707 4.640 0.001 0.000 0.202 72 D C 0.667 176.907 176.300 -0.100 0.000 0.970 72 D CA 1.385 55.310 54.000 -0.125 0.000 0.837 72 D CB 0.305 41.045 40.800 -0.100 0.000 0.981 72 D HN 0.341 nan 8.370 nan 0.000 0.475 73 I N 1.046 121.554 120.570 -0.104 0.000 2.545 73 I HA 0.345 4.516 4.170 0.001 0.000 0.292 73 I C -0.563 175.526 176.117 -0.046 0.000 1.040 73 I CA -0.726 60.541 61.300 -0.055 0.000 1.068 73 I CB 3.165 41.191 38.000 0.043 0.000 1.251 73 I HN -0.187 nan 8.210 nan 0.000 0.424 74 I N 5.322 125.808 120.570 -0.140 0.000 2.465 74 I HA 0.489 4.660 4.170 0.001 0.000 0.291 74 I C -1.534 174.640 176.117 0.094 0.000 1.014 74 I CA -0.466 60.782 61.300 -0.087 0.000 1.093 74 I CB 1.458 39.053 38.000 -0.674 0.000 1.267 74 I HN 0.336 nan 8.210 nan 0.000 0.431 75 F N 7.842 127.934 119.950 0.237 0.000 2.436 75 F HA 0.581 5.109 4.527 0.001 0.000 0.340 75 F C -0.429 175.645 175.800 0.456 0.000 1.113 75 F CA -0.119 58.071 58.000 0.315 0.000 1.022 75 F CB 1.338 40.462 39.000 0.206 0.000 1.128 75 F HN 0.450 nan 8.300 nan 0.000 0.466 76 W N 1.832 123.364 121.300 0.387 0.000 3.064 76 W HA 0.557 5.217 4.660 0.001 0.000 0.328 76 W C -1.419 175.203 176.519 0.171 0.000 1.210 76 W CA -1.317 56.194 57.345 0.277 0.000 1.178 76 W CB 1.288 30.942 29.460 0.323 0.000 1.416 76 W HN 0.664 nan 8.180 nan 0.000 0.568 77 A N 2.874 125.520 122.820 -0.290 0.000 2.520 77 A HA 0.031 4.351 4.320 0.001 0.000 0.235 77 A C 1.427 179.048 177.584 0.062 0.000 1.065 77 A CA 0.991 52.951 52.037 -0.128 0.000 0.764 77 A CB -0.141 18.691 19.000 -0.279 0.000 1.002 77 A HN 0.806 nan 8.150 nan 0.000 0.502 78 H N 1.609 120.600 119.070 -0.132 0.000 2.518 78 H HA -0.164 4.393 4.556 0.001 0.000 0.292 78 H C 1.053 176.403 175.328 0.037 0.000 1.068 78 H CA 1.503 57.416 56.048 -0.225 0.000 1.275 78 H CB -0.424 29.211 29.762 -0.211 0.000 1.375 78 H HN 0.831 nan 8.280 nan 0.000 0.563 79 D N 1.453 121.502 120.400 -0.585 0.000 2.182 79 D HA -0.190 4.450 4.640 0.001 0.000 0.201 79 D C 1.837 178.090 176.300 -0.079 0.000 0.986 79 D CA 0.601 54.402 54.000 -0.333 0.000 0.847 79 D CB -0.319 40.368 40.800 -0.189 0.000 0.942 79 D HN 0.304 nan 8.370 nan 0.000 0.467 80 R N -0.595 119.920 120.500 0.025 0.000 2.193 80 R HA 0.042 4.383 4.340 0.001 0.000 0.213 80 R C 2.074 177.979 176.300 -0.658 0.000 1.055 80 R CA 0.095 56.022 56.100 -0.289 0.000 0.995 80 R CB -0.547 29.533 30.300 -0.366 0.000 0.893 80 R HN 0.250 nan 8.270 nan 0.000 0.459 81 F N 0.520 120.189 119.950 -0.468 0.000 2.293 81 F HA -0.012 4.516 4.527 0.001 0.000 0.300 81 F C 2.484 178.080 175.800 -0.339 0.000 1.086 81 F CA 1.118 58.924 58.000 -0.323 0.000 1.375 81 F CB -0.981 37.992 39.000 -0.044 0.000 1.045 81 F HN 0.108 nan 8.300 nan 0.000 0.516 82 G N -0.118 108.553 108.800 -0.215 0.000 2.421 82 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 82 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 82 G C 2.108 176.629 174.900 -0.633 0.000 1.171 82 G CA 0.868 45.603 45.100 -0.608 0.000 0.775 82 G HN 0.492 nan 8.290 nan 0.000 0.543 83 G N -0.027 108.548 108.800 -0.376 0.000 2.440 83 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 83 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 83 G C 1.642 176.490 174.900 -0.086 0.000 1.154 83 G CA 1.113 46.077 45.100 -0.226 0.000 0.767 83 G HN 0.389 nan 8.290 nan 0.000 0.552 84 Y N 1.345 121.564 120.300 -0.134 0.000 2.181 84 Y HA 0.033 4.584 4.550 0.001 0.000 0.288 84 Y C 3.113 178.962 175.900 -0.086 0.000 1.146 84 Y CA 0.134 58.186 58.100 -0.080 0.000 1.164 84 Y CB -1.213 37.204 38.460 -0.071 0.000 0.982 84 Y HN 0.275 nan 8.280 nan 0.000 0.515 85 A N -0.166 122.658 122.820 0.007 0.000 1.873 85 A HA -0.268 4.053 4.320 0.001 0.000 0.215 85 A C 2.238 179.833 177.584 0.017 0.000 1.186 85 A CA 1.818 53.851 52.037 -0.007 0.000 0.616 85 A CB -0.863 18.085 19.000 -0.085 0.000 0.823 85 A HN 0.422 nan 8.150 nan 0.000 0.442 86 Q N 0.179 119.931 119.800 -0.081 0.000 2.135 86 Q HA -0.112 4.229 4.340 0.001 0.000 0.204 86 Q C 1.825 177.859 176.000 0.056 0.000 0.981 86 Q CA 2.021 57.870 55.803 0.076 0.000 0.856 86 Q CB -0.312 28.454 28.738 0.047 0.000 0.902 86 Q HN 0.533 nan 8.270 nan 0.000 0.425 87 S N -1.011 114.706 115.700 0.028 0.000 2.603 87 S HA 0.199 4.670 4.470 0.001 0.000 0.220 87 S C 0.940 175.544 174.600 0.006 0.000 0.967 87 S CA 0.511 58.720 58.200 0.016 0.000 0.920 87 S CB 0.098 63.302 63.200 0.007 0.000 0.773 87 S HN 0.700 nan 8.310 nan 0.000 0.529 88 G N 1.441 110.259 108.800 0.029 0.000 2.176 88 G HA2 -0.241 3.720 3.960 0.001 0.000 0.252 88 G HA3 -0.241 3.720 3.960 0.001 0.000 0.252 88 G C 0.453 175.353 174.900 -0.001 0.000 1.024 88 G CA 0.353 45.467 45.100 0.022 0.000 0.755 88 G HN 0.537 nan 8.290 nan 0.000 0.507 89 L N -1.143 120.082 121.223 0.004 0.000 2.567 89 L HA 0.423 4.763 4.340 0.001 0.000 0.225 89 L C 1.152 178.054 176.870 0.053 0.000 1.119 89 L CA 0.245 55.063 54.840 -0.036 0.000 0.871 89 L CB 0.058 42.038 42.059 -0.133 0.000 1.036 89 L HN 0.207 nan 8.230 nan 0.000 0.459 90 L N 0.030 121.302 121.223 0.081 0.000 2.346 90 L HA 0.649 4.989 4.340 0.001 0.000 0.274 90 L C 0.115 177.030 176.870 0.075 0.000 1.007 90 L CA -0.656 54.240 54.840 0.093 0.000 0.818 90 L CB 1.959 44.092 42.059 0.122 0.000 1.284 90 L HN -0.110 nan 8.230 nan 0.000 0.424 91 A N 1.919 124.779 122.820 0.067 0.000 2.354 91 A HA 0.267 4.587 4.320 0.001 0.000 0.269 91 A C -0.048 177.574 177.584 0.062 0.000 1.109 91 A CA -0.291 51.779 52.037 0.055 0.000 0.800 91 A CB 0.452 19.481 19.000 0.048 0.000 1.045 91 A HN 0.790 nan 8.150 nan 0.000 0.489 92 E N 1.857 122.087 120.200 0.050 0.000 2.360 92 E HA 0.266 4.617 4.350 0.001 0.000 0.269 92 E C -0.721 175.889 176.600 0.016 0.000 1.022 92 E CA -0.339 56.085 56.400 0.041 0.000 0.887 92 E CB 0.350 30.071 29.700 0.034 0.000 0.990 92 E HN 0.456 nan 8.360 nan 0.000 0.426 93 I N 4.071 124.630 120.570 -0.019 0.000 2.377 93 I HA 0.151 4.322 4.170 0.001 0.000 0.293 93 I C 0.366 176.424 176.117 -0.097 0.000 0.987 93 I CA -0.472 60.776 61.300 -0.086 0.000 1.185 93 I CB 1.110 38.956 38.000 -0.257 0.000 1.341 93 I HN 0.624 nan 8.210 nan 0.000 0.455 94 T N 2.378 116.884 114.554 -0.079 0.000 3.658 94 T HA 0.470 4.821 4.350 0.001 0.000 0.245 94 T C -2.337 172.315 174.700 -0.079 0.000 1.292 94 T CA -1.308 60.741 62.100 -0.085 0.000 1.598 94 T CB -0.004 68.835 68.868 -0.047 0.000 0.861 94 T HN 0.234 nan 8.240 nan 0.000 0.663 95 P HA 0.296 nan 4.420 nan 0.000 0.272 95 P C -0.020 177.253 177.300 -0.044 0.000 1.223 95 P CA -0.225 62.848 63.100 -0.046 0.000 0.784 95 P CB 0.487 32.210 31.700 0.038 0.000 0.923 96 D N 0.199 120.611 120.400 0.021 0.000 2.361 96 D HA 0.019 4.660 4.640 0.001 0.000 0.239 96 D C 0.710 177.013 176.300 0.006 0.000 1.200 96 D CA -0.269 53.739 54.000 0.012 0.000 0.915 96 D CB 0.610 41.433 40.800 0.037 0.000 1.170 96 D HN 0.193 nan 8.370 nan 0.000 0.444 97 K N 0.526 120.907 120.400 -0.032 0.000 2.152 97 K HA -0.175 4.146 4.320 0.001 0.000 0.206 97 K C 1.996 178.585 176.600 -0.018 0.000 1.048 97 K CA 1.312 57.564 56.287 -0.060 0.000 0.933 97 K CB -0.282 32.186 32.500 -0.054 0.000 0.721 97 K HN 0.558 nan 8.250 nan 0.000 0.447 98 A N 1.080 123.917 122.820 0.029 0.000 1.877 98 A HA -0.179 4.142 4.320 0.001 0.000 0.216 98 A C 1.976 179.600 177.584 0.066 0.000 1.186 98 A CA 1.165 53.226 52.037 0.041 0.000 0.620 98 A CB -0.667 18.366 19.000 0.055 0.000 0.822 98 A HN 0.362 nan 8.150 nan 0.000 0.443 99 F N 0.772 120.734 119.950 0.020 0.000 2.171 99 F HA -0.183 4.344 4.527 0.001 0.000 0.300 99 F C 2.449 178.336 175.800 0.147 0.000 1.090 99 F CA 2.079 60.129 58.000 0.083 0.000 1.293 99 F CB -0.309 38.758 39.000 0.113 0.000 1.013 99 F HN 0.316 nan 8.300 nan 0.000 0.486 100 Q N -0.531 119.317 119.800 0.079 0.000 2.181 100 Q HA -0.259 4.082 4.340 0.001 0.000 0.205 100 Q C 1.563 177.631 176.000 0.112 0.000 0.980 100 Q CA 1.702 57.491 55.803 -0.023 0.000 0.862 100 Q CB -0.418 28.017 28.738 -0.504 0.000 0.905 100 Q HN 0.394 nan 8.270 nan 0.000 0.429 101 D N 0.387 120.779 120.400 -0.014 0.000 2.378 101 D HA -0.085 4.556 4.640 0.001 0.000 0.222 101 D C 1.058 177.300 176.300 -0.096 0.000 0.980 101 D CA 0.748 54.733 54.000 -0.025 0.000 0.907 101 D CB 0.186 40.969 40.800 -0.029 0.000 0.899 101 D HN 0.073 nan 8.370 nan 0.000 0.527 102 K N -0.780 119.507 120.400 -0.188 0.000 2.418 102 K HA 0.116 4.437 4.320 0.001 0.000 0.195 102 K C 0.347 176.760 176.600 -0.311 0.000 1.035 102 K CA 0.318 56.441 56.287 -0.274 0.000 1.003 102 K CB 0.719 32.974 32.500 -0.407 0.000 0.793 102 K HN 0.220 nan 8.250 nan 0.000 0.494 103 L N 0.299 121.385 121.223 -0.230 0.000 2.319 103 L HA 0.357 4.698 4.340 0.001 0.000 0.267 103 L C -0.340 176.354 176.870 -0.293 0.000 1.011 103 L CA -1.386 53.252 54.840 -0.337 0.000 0.818 103 L CB 0.733 42.540 42.059 -0.419 0.000 1.316 103 L HN -0.090 nan 8.230 nan 0.000 0.432 104 Y N 0.991 121.191 120.300 -0.166 0.000 2.511 104 Y HA 0.060 4.610 4.550 0.001 0.000 0.332 104 Y C -1.455 174.398 175.900 -0.079 0.000 1.177 104 Y CA -1.254 56.796 58.100 -0.084 0.000 1.422 104 Y CB -0.034 38.379 38.460 -0.079 0.000 1.271 104 Y HN 0.410 nan 8.280 nan 0.000 0.550 105 P HA -0.249 nan 4.420 nan 0.000 0.216 105 P C 1.420 178.855 177.300 0.225 0.000 1.153 105 P CA 1.744 65.013 63.100 0.281 0.000 0.858 105 P CB -0.125 31.720 31.700 0.241 0.000 0.789 106 F N -0.336 119.696 119.950 0.137 0.000 2.365 106 F HA -0.116 4.412 4.527 0.001 0.000 0.300 106 F C 1.835 177.644 175.800 0.015 0.000 1.090 106 F CA 1.508 59.547 58.000 0.066 0.000 1.408 106 F CB -2.176 36.839 39.000 0.024 0.000 1.060 106 F HN -0.097 nan 8.300 nan 0.000 0.534 107 T N -3.154 110.879 114.554 -0.870 0.000 2.857 107 T HA -0.186 4.164 4.350 0.001 0.000 0.266 107 T C 1.578 176.036 174.700 -0.403 0.000 1.048 107 T CA 1.153 62.794 62.100 -0.765 0.000 1.139 107 T CB -1.184 67.172 68.868 -0.853 0.000 0.874 107 T HN 0.576 nan 8.240 nan 0.000 0.455 108 W N 2.035 123.230 121.300 -0.174 0.000 2.436 108 W HA 0.087 4.748 4.660 0.001 0.000 0.284 108 W C 2.089 178.575 176.519 -0.054 0.000 1.225 108 W CA 0.244 57.534 57.345 -0.091 0.000 1.271 108 W CB -0.074 29.355 29.460 -0.053 0.000 1.114 108 W HN 0.218 nan 8.180 nan 0.000 0.559 109 D N 0.146 120.659 120.400 0.189 0.000 2.178 109 D HA -0.136 4.505 4.640 0.001 0.000 0.201 109 D C 2.168 178.525 176.300 0.095 0.000 0.980 109 D CA 1.566 55.653 54.000 0.145 0.000 0.842 109 D CB -0.690 40.196 40.800 0.143 0.000 0.948 109 D HN 0.154 nan 8.370 nan 0.000 0.472 110 A N 0.708 123.520 122.820 -0.012 0.000 2.015 110 A HA -0.076 4.245 4.320 0.001 0.000 0.219 110 A C 2.001 179.571 177.584 -0.023 0.000 1.163 110 A CA 1.216 53.160 52.037 -0.156 0.000 0.646 110 A CB -0.190 18.490 19.000 -0.534 0.000 0.806 110 A HN 0.234 nan 8.150 nan 0.000 0.448 111 V N -3.295 116.629 119.914 0.018 0.000 3.121 111 V HA 0.410 4.531 4.120 0.001 0.000 0.344 111 V C 0.325 176.518 176.094 0.164 0.000 1.390 111 V CA -0.446 61.894 62.300 0.066 0.000 1.177 111 V CB -0.751 31.067 31.823 -0.009 0.000 1.163 111 V HN 0.372 nan 8.190 nan 0.000 0.484 112 R N 0.845 121.455 120.500 0.183 0.000 2.294 112 R HA 0.533 4.874 4.340 0.001 0.000 0.319 112 R C -1.866 174.584 176.300 0.250 0.000 0.984 112 R CA -0.705 55.506 56.100 0.186 0.000 0.861 112 R CB 1.423 31.809 30.300 0.143 0.000 1.104 112 R HN 0.495 nan 8.270 nan 0.000 0.451 113 Y N 4.492 124.849 120.300 0.095 0.000 2.354 113 Y HA 0.145 4.696 4.550 0.001 0.000 0.330 113 Y C -0.234 175.708 175.900 0.069 0.000 1.011 113 Y CA -0.903 57.252 58.100 0.092 0.000 1.099 113 Y CB 1.215 39.737 38.460 0.104 0.000 1.179 113 Y HN 0.914 nan 8.280 nan 0.000 0.442 114 N N 3.928 122.330 118.700 -0.496 0.000 2.735 114 N HA -0.190 4.551 4.740 0.001 0.000 0.248 114 N C 0.679 176.121 175.510 -0.113 0.000 1.083 114 N CA 2.011 54.857 53.050 -0.340 0.000 0.703 114 N CB -1.166 37.121 38.487 -0.334 0.000 1.005 114 N HN 1.605 nan 8.380 nan 0.000 0.550 115 G N -1.515 107.250 108.800 -0.059 0.000 2.148 115 G HA2 -0.329 3.632 3.960 0.001 0.000 0.254 115 G HA3 -0.329 3.632 3.960 0.001 0.000 0.254 115 G C -0.158 174.747 174.900 0.007 0.000 0.981 115 G CA 0.834 45.924 45.100 -0.016 0.000 0.670 115 G HN 0.672 nan 8.290 nan 0.000 0.528 116 K N -0.362 120.061 120.400 0.038 0.000 2.371 116 K HA 0.656 4.977 4.320 0.001 0.000 0.251 116 K C 0.101 176.754 176.600 0.088 0.000 0.934 116 K CA -1.004 55.313 56.287 0.051 0.000 0.798 116 K CB 2.069 34.606 32.500 0.062 0.000 1.204 116 K HN 0.091 nan 8.250 nan 0.000 0.427 117 L N 3.972 125.225 121.223 0.050 0.000 2.360 117 L HA 0.181 4.522 4.340 0.001 0.000 0.276 117 L C 0.604 177.524 176.870 0.082 0.000 1.121 117 L CA -0.215 54.669 54.840 0.074 0.000 0.845 117 L CB 0.183 42.246 42.059 0.006 0.000 1.143 117 L HN 0.680 nan 8.230 nan 0.000 0.452 118 I N 0.341 120.992 120.570 0.135 0.000 3.947 118 I HA 0.680 4.851 4.170 0.001 0.000 0.327 118 I C 0.205 176.438 176.117 0.194 0.000 1.519 118 I CA -0.255 61.142 61.300 0.162 0.000 1.122 118 I CB 0.423 38.557 38.000 0.224 0.000 1.146 118 I HN 0.446 nan 8.210 nan 0.000 0.442 119 A N -0.350 122.528 122.820 0.097 0.000 2.544 119 A HA 0.705 5.026 4.320 0.001 0.000 0.291 119 A C -2.105 175.447 177.584 -0.054 0.000 1.055 119 A CA -0.563 51.517 52.037 0.071 0.000 0.651 119 A CB 0.409 19.439 19.000 0.050 0.000 1.296 119 A HN 0.086 nan 8.150 nan 0.000 0.431 120 Y N 1.371 121.677 120.300 0.010 0.000 2.335 120 Y HA 0.485 5.035 4.550 0.001 0.000 0.339 120 Y C -1.998 173.764 175.900 -0.230 0.000 0.987 120 Y CA -1.901 56.173 58.100 -0.044 0.000 1.140 120 Y CB 1.536 40.001 38.460 0.009 0.000 1.173 120 Y HN 0.425 nan 8.280 nan 0.000 0.486 121 P HA 0.113 nan 4.420 nan 0.000 0.275 121 P C -0.073 177.106 177.300 -0.202 0.000 1.227 121 P CA 0.141 63.040 63.100 -0.335 0.000 0.781 121 P CB 1.830 33.179 31.700 -0.585 0.000 0.906 122 I N 0.763 121.271 120.570 -0.104 0.000 3.518 122 I HA 0.319 4.490 4.170 0.001 0.000 0.260 122 I C 1.064 177.191 176.117 0.016 0.000 1.148 122 I CA 0.240 61.541 61.300 0.002 0.000 1.440 122 I CB -0.830 37.247 38.000 0.128 0.000 1.485 122 I HN 0.329 nan 8.210 nan 0.000 0.456 123 A N 0.775 123.610 122.820 0.024 0.000 2.556 123 A HA 0.714 5.034 4.320 0.001 0.000 0.294 123 A C -1.219 176.398 177.584 0.054 0.000 1.091 123 A CA -0.365 51.705 52.037 0.056 0.000 0.704 123 A CB 1.892 20.948 19.000 0.093 0.000 1.300 123 A HN -0.126 nan 8.150 nan 0.000 0.406 124 V N 1.706 121.674 119.914 0.090 0.000 2.347 124 V HA 0.374 4.495 4.120 0.001 0.000 0.280 124 V C -0.239 175.941 176.094 0.142 0.000 1.021 124 V CA -0.279 62.102 62.300 0.135 0.000 0.847 124 V CB 0.907 32.853 31.823 0.206 0.000 0.990 124 V HN 0.885 nan 8.190 nan 0.000 0.444 125 E N 3.352 123.657 120.200 0.175 0.000 2.166 125 E HA 0.798 5.149 4.350 0.001 0.000 0.275 125 E C -0.395 176.343 176.600 0.229 0.000 0.941 125 E CA -0.522 56.003 56.400 0.208 0.000 0.784 125 E CB 2.221 32.106 29.700 0.309 0.000 1.115 125 E HN 0.820 nan 8.360 nan 0.000 0.399 126 A N 3.302 126.213 122.820 0.152 0.000 2.520 126 A HA 0.504 4.825 4.320 0.001 0.000 0.298 126 A C -0.996 176.607 177.584 0.032 0.000 1.051 126 A CA -0.723 51.387 52.037 0.122 0.000 0.690 126 A CB 0.867 19.926 19.000 0.098 0.000 1.281 126 A HN 0.563 nan 8.150 nan 0.000 0.402 127 L N 1.434 122.648 121.223 -0.015 0.000 2.417 127 L HA 0.532 4.872 4.340 0.001 0.000 0.268 127 L C 0.531 177.393 176.870 -0.013 0.000 1.158 127 L CA 0.031 54.833 54.840 -0.064 0.000 0.819 127 L CB 1.403 43.375 42.059 -0.144 0.000 1.112 127 L HN 0.750 nan 8.230 nan 0.000 0.458 128 S N 1.812 117.517 115.700 0.009 0.000 2.667 128 S HA 0.507 4.978 4.470 0.001 0.000 0.292 128 S C -1.174 173.438 174.600 0.019 0.000 1.126 128 S CA -0.645 57.579 58.200 0.039 0.000 0.881 128 S CB 2.039 65.306 63.200 0.111 0.000 1.132 128 S HN 0.388 nan 8.310 nan 0.000 0.492 129 L N 2.689 123.917 121.223 0.008 0.000 2.276 129 L HA 0.568 4.909 4.340 0.001 0.000 0.286 129 L C -1.397 175.517 176.870 0.073 0.000 1.061 129 L CA -0.184 54.647 54.840 -0.014 0.000 0.807 129 L CB -0.032 41.981 42.059 -0.076 0.000 1.177 129 L HN 0.645 nan 8.230 nan 0.000 0.429 130 I N 6.708 127.291 120.570 0.020 0.000 2.404 130 I HA 0.340 4.511 4.170 0.001 0.000 0.293 130 I C -0.942 175.245 176.117 0.116 0.000 0.992 130 I CA -0.751 60.549 61.300 0.001 0.000 1.149 130 I CB 1.624 39.446 38.000 -0.297 0.000 1.315 130 I HN 0.544 nan 8.210 nan 0.000 0.446 131 Y N 4.054 124.449 120.300 0.158 0.000 2.545 131 Y HA 0.532 5.083 4.550 0.001 0.000 0.348 131 Y C -0.806 175.361 175.900 0.445 0.000 1.002 131 Y CA -1.653 56.642 58.100 0.325 0.000 1.039 131 Y CB 0.865 39.403 38.460 0.130 0.000 1.271 131 Y HN 0.441 nan 8.280 nan 0.000 0.467 132 N N 2.544 121.454 118.700 0.351 0.000 2.420 132 N HA 0.157 4.898 4.740 0.001 0.000 0.249 132 N C 0.087 175.631 175.510 0.057 0.000 1.033 132 N CA -0.164 52.906 53.050 0.034 0.000 0.944 132 N CB 1.019 39.383 38.487 -0.204 0.000 1.113 132 N HN 0.885 nan 8.380 nan 0.000 0.502 133 K N 1.648 122.022 120.400 -0.044 0.000 2.280 133 K HA -0.084 4.237 4.320 0.001 0.000 0.202 133 K C 0.124 176.743 176.600 0.032 0.000 1.047 133 K CA 0.953 57.256 56.287 0.028 0.000 0.942 133 K CB 0.370 32.836 32.500 -0.056 0.000 0.739 133 K HN 0.504 nan 8.250 nan 0.000 0.457 134 D N 0.262 120.658 120.400 -0.007 0.000 2.355 134 D HA 0.012 4.653 4.640 0.001 0.000 0.218 134 D C 1.502 177.799 176.300 -0.005 0.000 1.004 134 D CA 0.700 54.692 54.000 -0.013 0.000 0.880 134 D CB 0.356 41.135 40.800 -0.035 0.000 0.911 134 D HN 0.179 nan 8.370 nan 0.000 0.528 135 L N -0.833 120.396 121.223 0.010 0.000 2.577 135 L HA 0.195 4.535 4.340 0.001 0.000 0.225 135 L C 0.069 176.967 176.870 0.047 0.000 1.053 135 L CA 0.138 54.987 54.840 0.015 0.000 0.866 135 L CB 1.003 43.062 42.059 -0.001 0.000 1.132 135 L HN -0.096 nan 8.230 nan 0.000 0.486 136 L N 1.106 122.387 121.223 0.096 0.000 2.529 136 L HA 0.385 4.725 4.340 0.001 0.000 0.258 136 L C -1.944 175.027 176.870 0.168 0.000 1.032 136 L CA -1.542 53.362 54.840 0.107 0.000 0.899 136 L CB 1.216 43.342 42.059 0.112 0.000 1.174 136 L HN -0.275 nan 8.230 nan 0.000 0.458 137 P HA -0.103 nan 4.420 nan 0.000 0.218 137 P C -0.382 176.987 177.300 0.115 0.000 1.148 137 P CA 1.064 64.235 63.100 0.117 0.000 0.822 137 P CB 0.262 31.992 31.700 0.051 0.000 0.784 138 N N 0.637 119.342 118.700 0.008 0.000 2.483 138 N HA 0.256 4.997 4.740 0.001 0.000 0.267 138 N C -2.557 172.818 175.510 -0.226 0.000 0.998 138 N CA -1.592 51.399 53.050 -0.099 0.000 0.918 138 N CB 1.727 40.172 38.487 -0.070 0.000 1.215 138 N HN 0.146 nan 8.380 nan 0.000 0.500 139 P HA 0.253 nan 4.420 nan 0.000 0.272 139 P C -2.609 174.505 177.300 -0.310 0.000 1.223 139 P CA -0.874 61.895 63.100 -0.551 0.000 0.784 139 P CB -0.042 31.049 31.700 -1.016 0.000 0.923 140 P HA 0.203 nan 4.420 nan 0.000 0.271 140 P C 0.662 177.846 177.300 -0.193 0.000 1.216 140 P CA -0.003 62.989 63.100 -0.181 0.000 0.776 140 P CB 0.510 32.111 31.700 -0.164 0.000 0.881 141 K N 0.085 120.400 120.400 -0.141 0.000 2.361 141 K HA 0.067 4.388 4.320 0.001 0.000 0.196 141 K C 0.782 177.320 176.600 -0.103 0.000 1.039 141 K CA 0.748 56.962 56.287 -0.122 0.000 1.001 141 K CB 0.146 32.593 32.500 -0.088 0.000 0.795 141 K HN 0.607 nan 8.250 nan 0.000 0.495 142 T N -4.056 110.443 114.554 -0.091 0.000 2.907 142 T HA 0.199 4.550 4.350 0.001 0.000 0.292 142 T C 0.155 174.838 174.700 -0.028 0.000 1.043 142 T CA -0.931 61.149 62.100 -0.033 0.000 1.003 142 T CB 1.090 69.960 68.868 0.003 0.000 1.084 142 T HN 0.149 nan 8.240 nan 0.000 0.483 143 W N 0.863 122.138 121.300 -0.043 0.000 2.388 143 W HA 0.087 4.748 4.660 0.001 0.000 0.294 143 W C 2.080 178.642 176.519 0.071 0.000 1.212 143 W CA 0.921 58.248 57.345 -0.030 0.000 1.271 143 W CB -0.192 29.130 29.460 -0.230 0.000 1.126 143 W HN 0.821 nan 8.180 nan 0.000 0.535 144 E N 0.042 120.368 120.200 0.210 0.000 2.333 144 E HA -0.183 4.168 4.350 0.001 0.000 0.198 144 E C 1.463 178.209 176.600 0.244 0.000 1.007 144 E CA 1.189 57.764 56.400 0.292 0.000 0.845 144 E CB -0.259 29.527 29.700 0.143 0.000 0.766 144 E HN 0.390 nan 8.360 nan 0.000 0.507 145 E N -0.237 120.047 120.200 0.141 0.000 2.385 145 E HA 0.023 4.374 4.350 0.001 0.000 0.194 145 E C 1.634 178.262 176.600 0.047 0.000 1.013 145 E CA 0.067 56.506 56.400 0.065 0.000 0.866 145 E CB 0.120 29.823 29.700 0.006 0.000 0.832 145 E HN 0.301 nan 8.360 nan 0.000 0.500 146 I N 2.248 122.874 120.570 0.094 0.000 2.226 146 I HA -0.184 3.987 4.170 0.001 0.000 0.245 146 I C -0.607 175.470 176.117 -0.067 0.000 1.100 146 I CA 0.941 62.266 61.300 0.042 0.000 1.374 146 I CB -1.336 36.740 38.000 0.127 0.000 1.057 146 I HN 0.110 nan 8.210 nan 0.000 0.413 147 P HA -0.215 nan 4.420 nan 0.000 0.215 147 P C 1.456 178.543 177.300 -0.356 0.000 1.157 147 P CA 2.227 65.043 63.100 -0.473 0.000 0.868 147 P CB 0.001 31.590 31.700 -0.185 0.000 0.788 148 A N -0.244 122.509 122.820 -0.112 0.000 1.930 148 A HA -0.142 4.179 4.320 0.001 0.000 0.217 148 A C 2.265 179.820 177.584 -0.050 0.000 1.175 148 A CA 1.454 53.462 52.037 -0.049 0.000 0.627 148 A CB -1.616 17.381 19.000 -0.005 0.000 0.815 148 A HN 0.187 nan 8.150 nan 0.000 0.443 149 L N 0.291 121.481 121.223 -0.055 0.000 2.093 149 L HA -0.135 4.206 4.340 0.001 0.000 0.208 149 L C 1.867 178.717 176.870 -0.033 0.000 1.085 149 L CA 2.753 57.572 54.840 -0.035 0.000 0.755 149 L CB -0.640 41.400 42.059 -0.032 0.000 0.904 149 L HN 0.476 nan 8.230 nan 0.000 0.435 150 D N -0.624 119.730 120.400 -0.076 0.000 2.117 150 D HA -0.259 4.382 4.640 0.001 0.000 0.198 150 D C 2.262 178.580 176.300 0.031 0.000 0.982 150 D CA 1.451 55.435 54.000 -0.026 0.000 0.828 150 D CB -0.073 40.690 40.800 -0.062 0.000 0.967 150 D HN 0.344 nan 8.370 nan 0.000 0.464 151 K N 0.360 120.772 120.400 0.021 0.000 2.063 151 K HA -0.232 4.089 4.320 0.001 0.000 0.208 151 K C 2.113 178.741 176.600 0.045 0.000 1.048 151 K CA 1.504 57.838 56.287 0.078 0.000 0.928 151 K CB -0.135 32.414 32.500 0.082 0.000 0.713 151 K HN 0.208 nan 8.250 nan 0.000 0.442 152 E N 0.486 120.700 120.200 0.023 0.000 2.051 152 E HA -0.194 4.156 4.350 0.001 0.000 0.192 152 E C 2.050 178.662 176.600 0.020 0.000 0.991 152 E CA 1.132 57.543 56.400 0.018 0.000 0.799 152 E CB -0.028 29.677 29.700 0.008 0.000 0.748 152 E HN 0.350 nan 8.360 nan 0.000 0.449 153 L N 0.567 121.803 121.223 0.022 0.000 2.156 153 L HA -0.123 4.218 4.340 0.001 0.000 0.208 153 L C 2.573 179.460 176.870 0.028 0.000 1.095 153 L CA 0.654 55.508 54.840 0.023 0.000 0.770 153 L CB -0.243 41.832 42.059 0.026 0.000 0.914 153 L HN -0.012 nan 8.230 nan 0.000 0.439 154 K N 0.401 120.826 120.400 0.041 0.000 2.147 154 K HA -0.095 4.225 4.320 0.001 0.000 0.205 154 K C 2.081 178.699 176.600 0.029 0.000 1.049 154 K CA 1.374 57.687 56.287 0.042 0.000 0.936 154 K CB -0.349 32.189 32.500 0.062 0.000 0.722 154 K HN 0.280 nan 8.250 nan 0.000 0.446 155 A N 1.256 124.092 122.820 0.026 0.000 2.121 155 A HA -0.106 4.214 4.320 0.001 0.000 0.218 155 A C 1.546 179.137 177.584 0.013 0.000 1.154 155 A CA 1.148 53.196 52.037 0.019 0.000 0.679 155 A CB -0.091 18.920 19.000 0.018 0.000 0.795 155 A HN 0.236 nan 8.150 nan 0.000 0.458 156 K N -1.348 119.059 120.400 0.012 0.000 2.397 156 K HA 0.304 4.625 4.320 0.001 0.000 0.202 156 K C 0.807 177.410 176.600 0.005 0.000 1.022 156 K CA 0.368 56.659 56.287 0.007 0.000 1.141 156 K CB 0.288 32.791 32.500 0.005 0.000 0.857 156 K HN 0.533 nan 8.250 nan 0.000 0.514 157 G N 1.870 110.675 108.800 0.009 0.000 2.136 157 G HA2 -0.270 3.691 3.960 0.001 0.000 0.242 157 G HA3 -0.270 3.691 3.960 0.001 0.000 0.242 157 G C -0.182 174.722 174.900 0.007 0.000 0.989 157 G CA 0.414 45.518 45.100 0.007 0.000 0.682 157 G HN 0.212 nan 8.290 nan 0.000 0.522 158 K N -0.140 120.267 120.400 0.012 0.000 2.346 158 K HA 0.854 5.175 4.320 0.001 0.000 0.238 158 K C 0.254 176.871 176.600 0.030 0.000 1.039 158 K CA 0.035 56.330 56.287 0.014 0.000 0.861 158 K CB 1.679 34.183 32.500 0.007 0.000 1.278 158 K HN 0.497 nan 8.250 nan 0.000 0.460 159 S N -1.075 114.648 115.700 0.038 0.000 2.599 159 S HA 0.705 5.176 4.470 0.001 0.000 0.294 159 S C 0.292 174.932 174.600 0.067 0.000 1.094 159 S CA -0.441 57.794 58.200 0.059 0.000 0.931 159 S CB 1.798 65.036 63.200 0.063 0.000 1.093 159 S HN 0.526 nan 8.310 nan 0.000 0.488 160 A N 0.590 123.454 122.820 0.075 0.000 1.878 160 A HA 0.500 4.821 4.320 0.001 0.000 0.213 160 A C 0.486 178.133 177.584 0.105 0.000 1.192 160 A CA 0.881 52.961 52.037 0.071 0.000 0.619 160 A CB -0.545 18.478 19.000 0.038 0.000 0.837 160 A HN 1.053 nan 8.150 nan 0.000 0.446 161 L N -1.284 120.018 121.223 0.131 0.000 2.445 161 L HA 0.744 5.085 4.340 0.001 0.000 0.262 161 L C -1.331 175.660 176.870 0.200 0.000 0.974 161 L CA -0.239 54.710 54.840 0.182 0.000 0.822 161 L CB 1.887 44.065 42.059 0.199 0.000 1.339 161 L HN 0.296 nan 8.230 nan 0.000 0.409 162 M N 5.776 125.511 119.600 0.224 0.000 2.277 162 M HA 0.538 5.018 4.480 0.001 0.000 0.282 162 M C -1.643 174.778 176.300 0.202 0.000 1.074 162 M CA -0.326 55.057 55.300 0.139 0.000 0.954 162 M CB 2.020 34.664 32.600 0.074 0.000 1.672 162 M HN 0.614 nan 8.290 nan 0.000 0.471 163 F N 0.291 120.245 119.950 0.005 0.000 2.685 163 F HA 0.608 5.136 4.527 0.001 0.000 0.315 163 F C -0.591 175.126 175.800 -0.137 0.000 1.126 163 F CA -1.269 56.689 58.000 -0.069 0.000 0.950 163 F CB 0.890 39.921 39.000 0.052 0.000 1.360 163 F HN 0.457 nan 8.300 nan 0.000 0.469 164 N N 1.841 120.402 118.700 -0.232 0.000 2.406 164 N HA 0.132 4.873 4.740 0.001 0.000 0.274 164 N C 0.272 175.715 175.510 -0.112 0.000 1.249 164 N CA 0.152 53.010 53.050 -0.321 0.000 0.951 164 N CB 0.266 38.391 38.487 -0.604 0.000 1.241 164 N HN 0.824 nan 8.380 nan 0.000 0.485 165 L N 1.950 123.055 121.223 -0.197 0.000 2.492 165 L HA -0.012 4.329 4.340 0.001 0.000 0.223 165 L C 1.731 178.637 176.870 0.060 0.000 1.132 165 L CA 0.405 55.197 54.840 -0.080 0.000 0.850 165 L CB -0.037 41.897 42.059 -0.209 0.000 0.966 165 L HN 0.461 nan 8.230 nan 0.000 0.454 166 Q N -0.177 119.651 119.800 0.047 0.000 2.369 166 Q HA 0.044 4.385 4.340 0.001 0.000 0.206 166 Q C 0.208 176.294 176.000 0.142 0.000 0.963 166 Q CA 0.766 56.613 55.803 0.073 0.000 0.894 166 Q CB 0.076 28.842 28.738 0.046 0.000 0.965 166 Q HN 0.320 nan 8.270 nan 0.000 0.475 167 E N 1.110 121.465 120.200 0.257 0.000 2.145 167 E HA 0.166 4.517 4.350 0.001 0.000 0.270 167 E C -1.770 175.101 176.600 0.452 0.000 0.906 167 E CA -2.168 54.437 56.400 0.341 0.000 0.761 167 E CB 1.854 31.847 29.700 0.489 0.000 1.116 167 E HN -0.093 nan 8.360 nan 0.000 0.408 168 P HA -0.190 nan 4.420 nan 0.000 0.222 168 P C 1.341 178.984 177.300 0.572 0.000 1.147 168 P CA 0.852 64.223 63.100 0.452 0.000 0.790 168 P CB 0.170 32.145 31.700 0.458 0.000 0.780 169 Y N 0.770 121.175 120.300 0.175 0.000 2.151 169 Y HA -0.228 4.323 4.550 0.001 0.000 0.284 169 Y C 1.973 177.964 175.900 0.151 0.000 1.166 169 Y CA 1.697 59.824 58.100 0.046 0.000 1.163 169 Y CB -1.201 37.048 38.460 -0.351 0.000 0.974 169 Y HN -0.207 nan 8.280 nan 0.000 0.511 170 F N -1.437 118.735 119.950 0.371 0.000 2.456 170 F HA -0.078 4.450 4.527 0.001 0.000 0.298 170 F C 2.287 178.206 175.800 0.199 0.000 1.104 170 F CA 1.505 59.665 58.000 0.266 0.000 1.435 170 F CB -0.475 38.815 39.000 0.483 0.000 1.078 170 F HN -0.102 nan 8.300 nan 0.000 0.546 171 T N -0.972 113.871 114.554 0.482 0.000 3.037 171 T HA -0.112 4.239 4.350 0.001 0.000 0.252 171 T C 1.768 176.580 174.700 0.186 0.000 1.073 171 T CA 0.054 62.347 62.100 0.323 0.000 1.091 171 T CB -0.275 68.811 68.868 0.363 0.000 0.935 171 T HN 0.460 nan 8.240 nan 0.000 0.488 172 W N 2.821 124.206 121.300 0.141 0.000 2.321 172 W HA -0.129 4.532 4.660 0.001 0.000 0.306 172 W C -1.726 174.773 176.519 -0.033 0.000 1.217 172 W CA 1.238 58.643 57.345 0.100 0.000 1.257 172 W CB -1.127 28.498 29.460 0.276 0.000 1.145 172 W HN 0.265 nan 8.180 nan 0.000 0.509 173 P HA -0.216 nan 4.420 nan 0.000 0.218 173 P C 2.051 179.200 177.300 -0.252 0.000 1.148 173 P CA 1.691 64.712 63.100 -0.131 0.000 0.822 173 P CB -0.472 31.224 31.700 -0.007 0.000 0.784 174 L N -1.331 119.691 121.223 -0.334 0.000 2.095 174 L HA -0.048 4.293 4.340 0.001 0.000 0.204 174 L C 2.162 178.687 176.870 -0.576 0.000 1.080 174 L CA 1.238 55.719 54.840 -0.598 0.000 0.759 174 L CB -0.428 41.083 42.059 -0.914 0.000 0.914 174 L HN -0.091 nan 8.230 nan 0.000 0.439 175 I N 0.041 120.290 120.570 -0.536 0.000 2.286 175 I HA -0.248 3.923 4.170 0.001 0.000 0.248 175 I C 2.531 178.261 176.117 -0.646 0.000 1.115 175 I CA 1.230 62.197 61.300 -0.555 0.000 1.392 175 I CB -0.318 37.346 38.000 -0.561 0.000 1.065 175 I HN 0.249 nan 8.210 nan 0.000 0.418 176 A N 0.350 122.648 122.820 -0.870 0.000 2.123 176 A HA 0.172 4.493 4.320 0.001 0.000 0.214 176 A C 2.479 179.879 177.584 -0.307 0.000 1.152 176 A CA 0.974 52.604 52.037 -0.679 0.000 0.728 176 A CB -0.441 18.038 19.000 -0.868 0.000 0.814 176 A HN 0.372 nan 8.150 nan 0.000 0.464 177 A N 0.453 123.129 122.820 -0.241 0.000 1.884 177 A HA -0.261 4.060 4.320 0.001 0.000 0.219 177 A C 1.709 179.291 177.584 -0.003 0.000 1.197 177 A CA 2.184 54.181 52.037 -0.067 0.000 0.637 177 A CB -0.571 18.441 19.000 0.019 0.000 0.827 177 A HN 0.435 nan 8.150 nan 0.000 0.450 178 D N -2.716 117.714 120.400 0.050 0.000 2.336 178 D HA 0.359 5.000 4.640 0.001 0.000 0.228 178 D C 0.906 177.204 176.300 -0.004 0.000 1.120 178 D CA 1.090 55.104 54.000 0.024 0.000 0.839 178 D CB 0.003 40.843 40.800 0.067 0.000 0.932 178 D HN 0.538 nan 8.370 nan 0.000 0.509 179 G N -1.269 107.519 108.800 -0.020 0.000 2.485 179 G HA2 -0.094 3.867 3.960 0.001 0.000 0.181 179 G HA3 -0.094 3.867 3.960 0.001 0.000 0.181 179 G C 0.739 175.673 174.900 0.055 0.000 0.999 179 G CA -0.258 44.859 45.100 0.028 0.000 0.721 179 G HN 0.515 nan 8.290 nan 0.000 0.486 180 G N 0.388 109.134 108.800 -0.090 0.000 2.491 180 G HA2 0.641 4.602 3.960 0.001 0.000 0.242 180 G HA3 0.641 4.602 3.960 0.001 0.000 0.242 180 G C -0.269 174.600 174.900 -0.052 0.000 1.266 180 G CA 0.649 45.644 45.100 -0.176 0.000 0.844 180 G HN 1.535 nan 8.290 nan 0.000 0.571 181 Y N -1.592 118.738 120.300 0.050 0.000 2.638 181 Y HA 0.728 5.279 4.550 0.001 0.000 0.335 181 Y C 0.593 176.691 175.900 0.331 0.000 1.155 181 Y CA -0.796 57.454 58.100 0.250 0.000 1.046 181 Y CB 0.779 39.327 38.460 0.147 0.000 1.303 181 Y HN 0.679 nan 8.280 nan 0.000 0.460 182 A N 1.261 124.303 122.820 0.371 0.000 1.903 182 A HA 0.392 4.713 4.320 0.001 0.000 0.217 182 A C -0.447 176.873 177.584 -0.440 0.000 1.387 182 A CA 0.849 52.654 52.037 -0.386 0.000 0.604 182 A CB -0.464 17.920 19.000 -1.027 0.000 1.043 182 A HN 0.553 nan 8.150 nan 0.000 0.481 183 F N -0.101 119.954 119.950 0.175 0.000 2.507 183 F HA 0.450 4.978 4.527 0.001 0.000 0.325 183 F C 0.213 176.285 175.800 0.453 0.000 1.116 183 F CA -0.817 57.353 58.000 0.284 0.000 0.930 183 F CB 1.600 40.670 39.000 0.116 0.000 1.146 183 F HN 0.172 nan 8.300 nan 0.000 0.447 184 K N 2.505 123.229 120.400 0.541 0.000 2.382 184 K HA 0.109 4.430 4.320 0.001 0.000 0.275 184 K C -1.520 175.241 176.600 0.268 0.000 1.009 184 K CA -0.212 56.204 56.287 0.215 0.000 0.970 184 K CB 0.546 33.112 32.500 0.109 0.000 0.934 184 K HN 0.733 nan 8.250 nan 0.000 0.479 185 Y N 3.090 123.397 120.300 0.013 0.000 2.331 185 Y HA 0.276 4.826 4.550 0.001 0.000 0.338 185 Y C -0.839 174.986 175.900 -0.125 0.000 0.976 185 Y CA -0.282 57.717 58.100 -0.169 0.000 1.137 185 Y CB 1.084 39.307 38.460 -0.394 0.000 1.172 185 Y HN 0.767 nan 8.280 nan 0.000 0.478 186 E N 4.472 124.364 120.200 -0.514 0.000 2.375 186 E HA 0.257 4.607 4.350 0.001 0.000 0.280 186 E C -0.896 175.472 176.600 -0.386 0.000 0.972 186 E CA -0.586 55.627 56.400 -0.312 0.000 0.782 186 E CB 0.964 30.587 29.700 -0.128 0.000 1.229 186 E HN 0.785 nan 8.360 nan 0.000 0.439 187 N N 1.798 120.356 118.700 -0.236 0.000 2.747 187 N HA -0.209 4.532 4.740 0.001 0.000 0.249 187 N C 0.411 175.778 175.510 -0.239 0.000 1.107 187 N CA 1.404 54.346 53.050 -0.181 0.000 0.707 187 N CB -1.476 36.926 38.487 -0.141 0.000 1.054 187 N HN 1.019 nan 8.380 nan 0.000 0.555 188 G N -0.255 108.346 108.800 -0.331 0.000 2.176 188 G HA2 -0.339 3.621 3.960 0.001 0.000 0.252 188 G HA3 -0.339 3.621 3.960 0.001 0.000 0.252 188 G C -0.083 174.564 174.900 -0.422 0.000 1.024 188 G CA 1.297 46.254 45.100 -0.238 0.000 0.755 188 G HN 1.002 nan 8.290 nan 0.000 0.507 189 K N -1.981 117.834 120.400 -0.976 0.000 2.625 189 K HA 0.537 4.858 4.320 0.001 0.000 0.284 189 K C -0.974 175.202 176.600 -0.708 0.000 0.984 189 K CA -1.345 54.566 56.287 -0.626 0.000 0.865 189 K CB 0.821 33.178 32.500 -0.237 0.000 1.468 189 K HN 0.015 nan 8.250 nan 0.000 0.407 190 Y N 1.146 121.362 120.300 -0.141 0.000 2.377 190 Y HA 0.132 4.683 4.550 0.001 0.000 0.330 190 Y C 0.087 175.954 175.900 -0.055 0.000 1.108 190 Y CA 0.289 58.386 58.100 -0.004 0.000 1.308 190 Y CB 0.898 39.394 38.460 0.061 0.000 1.216 190 Y HN 0.629 nan 8.280 nan 0.000 0.518 191 D N 4.544 125.042 120.400 0.165 0.000 2.380 191 D HA 0.061 4.702 4.640 0.001 0.000 0.230 191 D C 0.989 177.428 176.300 0.231 0.000 1.154 191 D CA -0.371 53.705 54.000 0.126 0.000 0.859 191 D CB 0.496 41.355 40.800 0.098 0.000 1.045 191 D HN 0.463 nan 8.370 nan 0.000 0.495 192 I N 2.519 123.165 120.570 0.126 0.000 3.083 192 I HA -0.092 4.079 4.170 0.001 0.000 0.273 192 I C 1.041 177.316 176.117 0.263 0.000 1.297 192 I CA 0.949 62.357 61.300 0.180 0.000 1.452 192 I CB -0.865 37.125 38.000 -0.015 0.000 1.078 192 I HN 0.374 nan 8.210 nan 0.000 0.484 193 K N 0.506 121.020 120.400 0.191 0.000 2.374 193 K HA 0.127 4.448 4.320 0.001 0.000 0.196 193 K C 0.072 176.775 176.600 0.171 0.000 1.023 193 K CA -0.053 56.328 56.287 0.156 0.000 1.103 193 K CB 0.233 32.794 32.500 0.102 0.000 0.848 193 K HN 0.136 nan 8.250 nan 0.000 0.528 194 D N 1.863 122.404 120.400 0.234 0.000 2.432 194 D HA 0.158 4.799 4.640 0.001 0.000 0.265 194 D C -1.240 175.236 176.300 0.292 0.000 1.160 194 D CA -0.395 53.751 54.000 0.243 0.000 0.911 194 D CB 1.426 42.375 40.800 0.248 0.000 1.052 194 D HN -0.091 nan 8.370 nan 0.000 0.508 195 V N 1.701 121.696 119.914 0.135 0.000 2.481 195 V HA 0.571 4.692 4.120 0.001 0.000 0.286 195 V C 1.371 177.312 176.094 -0.254 0.000 1.042 195 V CA -0.551 61.711 62.300 -0.063 0.000 0.928 195 V CB 1.883 33.649 31.823 -0.096 0.000 0.986 195 V HN 0.562 nan 8.190 nan 0.000 0.462 196 G N 2.046 110.419 108.800 -0.712 0.000 3.805 196 G HA2 0.227 4.188 3.960 0.001 0.000 0.290 196 G HA3 0.227 4.188 3.960 0.001 0.000 0.290 196 G C 0.852 175.426 174.900 -0.543 0.000 1.077 196 G CA 0.525 44.925 45.100 -1.167 0.000 0.852 196 G HN 0.799 nan 8.290 nan 0.000 0.531 197 V N -2.840 116.944 119.914 -0.217 0.000 3.380 197 V HA 0.167 4.288 4.120 0.001 0.000 0.268 197 V C 0.919 176.980 176.094 -0.055 0.000 1.168 197 V CA 1.507 63.793 62.300 -0.024 0.000 1.156 197 V CB 0.285 32.175 31.823 0.112 0.000 0.785 197 V HN 0.172 nan 8.190 nan 0.000 0.487 198 D N 1.047 121.392 120.400 -0.091 0.000 2.650 198 D HA 0.163 4.804 4.640 0.001 0.000 0.265 198 D C 0.388 176.653 176.300 -0.057 0.000 1.339 198 D CA -0.286 53.681 54.000 -0.055 0.000 0.816 198 D CB -0.089 40.694 40.800 -0.028 0.000 1.091 198 D HN 0.737 nan 8.370 nan 0.000 0.483 199 N N -0.533 118.115 118.700 -0.087 0.000 2.418 199 N HA 0.338 5.078 4.740 0.001 0.000 0.283 199 N C 1.434 176.929 175.510 -0.025 0.000 1.267 199 N CA -0.012 53.010 53.050 -0.047 0.000 0.975 199 N CB 0.193 38.655 38.487 -0.041 0.000 1.167 199 N HN -0.126 nan 8.380 nan 0.000 0.581 200 A N -0.456 122.363 122.820 -0.001 0.000 1.892 200 A HA -0.063 4.258 4.320 0.001 0.000 0.218 200 A C 2.051 179.640 177.584 0.009 0.000 1.188 200 A CA 2.252 54.293 52.037 0.006 0.000 0.631 200 A CB -1.815 17.192 19.000 0.011 0.000 0.822 200 A HN 0.814 nan 8.150 nan 0.000 0.447 201 G N -0.764 108.038 108.800 0.003 0.000 2.421 201 G HA2 0.001 3.962 3.960 0.001 0.000 0.216 201 G HA3 0.001 3.962 3.960 0.001 0.000 0.216 201 G C 1.762 176.647 174.900 -0.026 0.000 1.171 201 G CA 1.542 46.645 45.100 0.006 0.000 0.775 201 G HN 0.852 nan 8.290 nan 0.000 0.543 202 A N 0.831 123.604 122.820 -0.079 0.000 1.902 202 A HA 0.010 4.330 4.320 0.001 0.000 0.217 202 A C 2.310 179.849 177.584 -0.076 0.000 1.181 202 A CA 1.953 53.914 52.037 -0.126 0.000 0.623 202 A CB -0.344 18.577 19.000 -0.131 0.000 0.818 202 A HN 0.384 nan 8.150 nan 0.000 0.443 203 K N -0.227 120.153 120.400 -0.032 0.000 2.057 203 K HA -0.077 4.244 4.320 0.001 0.000 0.207 203 K C 2.314 178.927 176.600 0.021 0.000 1.049 203 K CA 1.163 57.445 56.287 -0.007 0.000 0.931 203 K CB -0.346 32.157 32.500 0.006 0.000 0.714 203 K HN 0.438 nan 8.250 nan 0.000 0.440 204 A N 1.302 124.162 122.820 0.066 0.000 1.902 204 A HA -0.097 4.223 4.320 0.001 0.000 0.217 204 A C 2.431 180.106 177.584 0.150 0.000 1.181 204 A CA 1.958 54.105 52.037 0.183 0.000 0.623 204 A CB -1.214 17.938 19.000 0.254 0.000 0.818 204 A HN 0.431 nan 8.150 nan 0.000 0.443 205 G N -0.306 108.464 108.800 -0.050 0.000 2.433 205 G HA2 -0.130 3.831 3.960 0.001 0.000 0.216 205 G HA3 -0.130 3.831 3.960 0.001 0.000 0.216 205 G C 1.478 176.175 174.900 -0.339 0.000 1.186 205 G CA 1.188 45.991 45.100 -0.496 0.000 0.779 205 G HN 0.475 nan 8.290 nan 0.000 0.543 206 L N 0.952 122.070 121.223 -0.175 0.000 2.141 206 L HA 0.054 4.395 4.340 0.001 0.000 0.209 206 L C 2.849 179.685 176.870 -0.056 0.000 1.094 206 L CA 2.288 57.065 54.840 -0.104 0.000 0.763 206 L CB -0.892 41.133 42.059 -0.056 0.000 0.908 206 L HN 0.174 nan 8.230 nan 0.000 0.437 207 T N -0.742 113.802 114.554 -0.017 0.000 2.788 207 T HA -0.214 4.137 4.350 0.001 0.000 0.268 207 T C 1.616 176.334 174.700 0.030 0.000 1.044 207 T CA 1.772 63.884 62.100 0.020 0.000 1.139 207 T CB -0.488 68.418 68.868 0.062 0.000 0.867 207 T HN 0.381 nan 8.240 nan 0.000 0.454 208 F N 1.468 121.355 119.950 -0.106 0.000 2.134 208 F HA -0.012 4.516 4.527 0.001 0.000 0.299 208 F C 1.906 177.649 175.800 -0.095 0.000 1.097 208 F CA 0.688 58.631 58.000 -0.095 0.000 1.264 208 F CB -0.378 38.462 39.000 -0.267 0.000 1.001 208 F HN 0.049 nan 8.300 nan 0.000 0.479 209 L N -0.226 120.945 121.223 -0.086 0.000 2.056 209 L HA -0.105 4.236 4.340 0.001 0.000 0.207 209 L C 2.170 178.991 176.870 -0.082 0.000 1.078 209 L CA 1.578 56.373 54.840 -0.074 0.000 0.749 209 L CB -0.989 41.051 42.059 -0.031 0.000 0.901 209 L HN 0.033 nan 8.230 nan 0.000 0.433 210 V N 0.046 119.917 119.914 -0.071 0.000 2.343 210 V HA -0.279 3.842 4.120 0.001 0.000 0.247 210 V C 2.266 178.311 176.094 -0.083 0.000 1.051 210 V CA 1.956 64.221 62.300 -0.059 0.000 1.036 210 V CB -0.849 30.951 31.823 -0.038 0.000 0.654 210 V HN 0.449 nan 8.190 nan 0.000 0.451 211 D N -0.025 120.303 120.400 -0.120 0.000 2.144 211 D HA -0.103 4.538 4.640 0.001 0.000 0.200 211 D C 2.170 178.380 176.300 -0.150 0.000 0.978 211 D CA 1.008 54.928 54.000 -0.133 0.000 0.833 211 D CB -0.240 40.471 40.800 -0.149 0.000 0.961 211 D HN 0.324 nan 8.370 nan 0.000 0.470 212 L N 0.432 121.526 121.223 -0.216 0.000 2.042 212 L HA -0.166 4.175 4.340 0.001 0.000 0.210 212 L C 2.436 179.291 176.870 -0.026 0.000 1.076 212 L CA 0.823 55.613 54.840 -0.084 0.000 0.749 212 L CB -0.232 41.788 42.059 -0.066 0.000 0.893 212 L HN 0.047 nan 8.230 nan 0.000 0.432 213 I N -0.570 119.968 120.570 -0.054 0.000 2.233 213 I HA -0.271 3.900 4.170 0.001 0.000 0.243 213 I C 2.476 178.543 176.117 -0.083 0.000 1.093 213 I CA 1.188 62.455 61.300 -0.055 0.000 1.380 213 I CB -0.261 37.709 38.000 -0.050 0.000 1.067 213 I HN 0.166 nan 8.210 nan 0.000 0.413 214 K N 0.743 121.093 120.400 -0.083 0.000 2.103 214 K HA -0.145 4.175 4.320 0.001 0.000 0.207 214 K C 1.195 177.723 176.600 -0.121 0.000 1.048 214 K CA 1.215 57.452 56.287 -0.084 0.000 0.930 214 K CB -0.250 32.210 32.500 -0.066 0.000 0.716 214 K HN 0.301 nan 8.250 nan 0.000 0.444 215 N N 1.155 119.752 118.700 -0.172 0.000 2.362 215 N HA -0.008 4.732 4.740 0.001 0.000 0.204 215 N C -0.609 174.593 175.510 -0.513 0.000 1.166 215 N CA 0.362 53.234 53.050 -0.297 0.000 0.831 215 N CB 0.548 38.868 38.487 -0.279 0.000 1.008 215 N HN -0.021 nan 8.380 nan 0.000 0.472 216 K N -0.149 120.067 120.400 -0.308 0.000 3.117 216 K HA -0.174 4.147 4.320 0.001 0.000 0.269 216 K C -0.079 176.384 176.600 -0.228 0.000 1.098 216 K CA 0.472 56.619 56.287 -0.232 0.000 0.785 216 K CB -2.023 30.370 32.500 -0.179 0.000 1.242 216 K HN 0.432 nan 8.250 nan 0.000 0.491 217 H N -1.177 117.888 119.070 -0.009 0.000 2.586 217 H HA 0.387 4.944 4.556 0.001 0.000 0.273 217 H C 0.397 175.739 175.328 0.023 0.000 0.997 217 H CA 0.406 56.462 56.048 0.013 0.000 1.177 217 H CB 0.409 30.183 29.762 0.019 0.000 1.471 217 H HN 0.254 nan 8.280 nan 0.000 0.538 218 M N 0.249 119.895 119.600 0.076 0.000 2.724 218 M HA 0.086 4.567 4.480 0.001 0.000 0.280 218 M C -1.310 174.974 176.300 -0.025 0.000 1.090 218 M CA -0.489 54.828 55.300 0.028 0.000 0.838 218 M CB 2.832 35.452 32.600 0.033 0.000 1.729 218 M HN -0.087 nan 8.290 nan 0.000 0.530 219 N N 0.676 119.347 118.700 -0.048 0.000 2.456 219 N HA 0.524 5.265 4.740 0.001 0.000 0.288 219 N C 0.307 175.769 175.510 -0.080 0.000 1.059 219 N CA 0.288 53.304 53.050 -0.056 0.000 0.946 219 N CB 2.063 40.522 38.487 -0.046 0.000 1.150 219 N HN 0.810 nan 8.380 nan 0.000 0.479 220 A N 2.513 125.294 122.820 -0.066 0.000 2.172 220 A HA -0.161 4.160 4.320 0.001 0.000 0.216 220 A C 1.033 178.577 177.584 -0.065 0.000 1.154 220 A CA 1.517 53.513 52.037 -0.067 0.000 0.701 220 A CB -0.290 18.682 19.000 -0.047 0.000 0.789 220 A HN 0.818 nan 8.150 nan 0.000 0.465 221 D N -1.883 118.482 120.400 -0.058 0.000 2.349 221 D HA 0.051 4.692 4.640 0.001 0.000 0.214 221 D C 0.220 176.485 176.300 -0.058 0.000 1.063 221 D CA 0.280 54.252 54.000 -0.047 0.000 0.847 221 D CB -0.854 39.927 40.800 -0.032 0.000 0.933 221 D HN 0.077 nan 8.370 nan 0.000 0.513 222 T N 1.846 116.346 114.554 -0.090 0.000 2.871 222 T HA 0.259 4.610 4.350 0.001 0.000 0.296 222 T C -0.129 174.504 174.700 -0.110 0.000 0.998 222 T CA 0.199 62.234 62.100 -0.109 0.000 1.162 222 T CB 0.557 69.324 68.868 -0.169 0.000 0.947 222 T HN 0.406 nan 8.240 nan 0.000 0.536 223 D N 1.239 121.597 120.400 -0.070 0.000 2.689 223 D HA 0.187 4.828 4.640 0.001 0.000 0.255 223 D C 0.940 177.220 176.300 -0.034 0.000 1.113 223 D CA -1.002 52.975 54.000 -0.037 0.000 1.115 223 D CB 0.078 40.888 40.800 0.016 0.000 1.334 223 D HN 0.322 nan 8.370 nan 0.000 0.621 224 Y N 0.519 120.759 120.300 -0.100 0.000 2.097 224 Y HA -0.228 4.322 4.550 0.001 0.000 0.282 224 Y C 2.454 178.341 175.900 -0.021 0.000 1.152 224 Y CA 2.625 60.672 58.100 -0.087 0.000 1.136 224 Y CB -0.339 38.099 38.460 -0.037 0.000 0.975 224 Y HN 0.327 nan 8.280 nan 0.000 0.498 225 S N 0.215 116.025 115.700 0.185 0.000 2.359 225 S HA -0.190 4.280 4.470 0.001 0.000 0.224 225 S C 1.925 176.540 174.600 0.024 0.000 1.035 225 S CA 1.466 59.737 58.200 0.118 0.000 1.018 225 S CB -0.427 62.838 63.200 0.108 0.000 0.876 225 S HN 0.375 nan 8.310 nan 0.000 0.448 226 I N 1.984 122.557 120.570 0.004 0.000 2.163 226 I HA -0.176 3.994 4.170 0.001 0.000 0.243 226 I C 2.730 178.830 176.117 -0.029 0.000 1.085 226 I CA 1.431 62.724 61.300 -0.012 0.000 1.347 226 I CB -1.803 36.184 38.000 -0.022 0.000 1.044 226 I HN 0.241 nan 8.210 nan 0.000 0.408 227 A N 0.348 123.124 122.820 -0.073 0.000 1.877 227 A HA -0.254 4.067 4.320 0.001 0.000 0.216 227 A C 2.385 179.936 177.584 -0.054 0.000 1.186 227 A CA 1.896 53.891 52.037 -0.071 0.000 0.620 227 A CB -0.752 18.167 19.000 -0.134 0.000 0.822 227 A HN 0.523 nan 8.150 nan 0.000 0.443 228 E N -0.135 119.977 120.200 -0.147 0.000 2.058 228 E HA -0.144 4.207 4.350 0.001 0.000 0.194 228 E C 2.108 178.723 176.600 0.026 0.000 0.997 228 E CA 1.208 57.550 56.400 -0.095 0.000 0.801 228 E CB -0.286 29.324 29.700 -0.151 0.000 0.746 228 E HN 0.524 nan 8.360 nan 0.000 0.450 229 A N 1.131 123.963 122.820 0.020 0.000 1.902 229 A HA -0.081 4.240 4.320 0.001 0.000 0.217 229 A C 2.415 180.019 177.584 0.035 0.000 1.181 229 A CA 1.793 53.849 52.037 0.032 0.000 0.623 229 A CB -0.838 18.177 19.000 0.025 0.000 0.818 229 A HN 0.433 nan 8.150 nan 0.000 0.443 230 A N -1.245 121.598 122.820 0.040 0.000 1.883 230 A HA -0.081 4.240 4.320 0.001 0.000 0.217 230 A C 2.093 179.709 177.584 0.054 0.000 1.186 230 A CA 1.693 53.754 52.037 0.041 0.000 0.624 230 A CB -0.709 18.320 19.000 0.049 0.000 0.822 230 A HN 0.657 nan 8.150 nan 0.000 0.444 231 F N 1.051 120.984 119.950 -0.028 0.000 2.163 231 F HA -0.094 4.434 4.527 0.001 0.000 0.297 231 F C 2.010 177.788 175.800 -0.036 0.000 1.094 231 F CA 1.890 59.874 58.000 -0.026 0.000 1.290 231 F CB -0.323 38.656 39.000 -0.035 0.000 1.017 231 F HN 0.290 nan 8.300 nan 0.000 0.483 232 N N -0.113 118.655 118.700 0.114 0.000 2.453 232 N HA -0.121 4.620 4.740 0.001 0.000 0.183 232 N C 1.088 176.564 175.510 -0.056 0.000 1.041 232 N CA 0.559 53.626 53.050 0.027 0.000 0.900 232 N CB -0.079 38.450 38.487 0.070 0.000 0.961 232 N HN 0.338 nan 8.380 nan 0.000 0.443 233 K N 0.144 120.508 120.400 -0.060 0.000 2.374 233 K HA 0.101 4.422 4.320 0.001 0.000 0.196 233 K C 0.695 177.234 176.600 -0.101 0.000 1.023 233 K CA 0.045 56.296 56.287 -0.060 0.000 1.103 233 K CB 0.774 33.257 32.500 -0.029 0.000 0.848 233 K HN 0.144 nan 8.250 nan 0.000 0.528 234 G N 2.360 111.049 108.800 -0.186 0.000 2.176 234 G HA2 -0.285 3.675 3.960 0.001 0.000 0.252 234 G HA3 -0.285 3.675 3.960 0.001 0.000 0.252 234 G C 0.361 175.178 174.900 -0.139 0.000 1.024 234 G CA 0.519 45.489 45.100 -0.216 0.000 0.755 234 G HN 0.478 nan 8.290 nan 0.000 0.507 235 E N -1.161 118.978 120.200 -0.102 0.000 2.276 235 E HA 0.117 4.468 4.350 0.001 0.000 0.193 235 E C 1.095 177.682 176.600 -0.022 0.000 0.983 235 E CA 0.845 57.218 56.400 -0.046 0.000 0.861 235 E CB 0.515 30.203 29.700 -0.020 0.000 0.817 235 E HN 0.326 nan 8.360 nan 0.000 0.485 236 T N -0.853 113.691 114.554 -0.016 0.000 2.856 236 T HA 0.463 4.814 4.350 0.001 0.000 0.283 236 T C 0.507 175.246 174.700 0.064 0.000 1.008 236 T CA -0.196 61.938 62.100 0.057 0.000 0.997 236 T CB 1.670 70.615 68.868 0.128 0.000 0.992 236 T HN 0.034 nan 8.240 nan 0.000 0.454 237 A N 4.689 127.569 122.820 0.101 0.000 2.014 237 A HA 0.336 4.656 4.320 0.001 0.000 0.218 237 A C 0.820 178.603 177.584 0.332 0.000 1.163 237 A CA 0.943 53.063 52.037 0.138 0.000 0.652 237 A CB -0.245 18.817 19.000 0.104 0.000 0.808 237 A HN 0.764 nan 8.150 nan 0.000 0.449 238 M N -2.614 117.196 119.600 0.349 0.000 2.618 238 M HA 0.510 4.990 4.480 0.001 0.000 0.281 238 M C -0.635 175.807 176.300 0.237 0.000 1.267 238 M CA -0.319 55.181 55.300 0.334 0.000 0.845 238 M CB 2.451 35.139 32.600 0.146 0.000 1.732 238 M HN 0.036 nan 8.290 nan 0.000 0.461 239 T N 0.645 115.204 114.554 0.009 0.000 2.792 239 T HA 0.769 5.119 4.350 0.001 0.000 0.303 239 T C -2.100 172.565 174.700 -0.059 0.000 1.310 239 T CA -0.549 61.532 62.100 -0.031 0.000 1.007 239 T CB 1.513 70.253 68.868 -0.213 0.000 1.335 239 T HN 0.591 nan 8.240 nan 0.000 0.504 240 I N 3.575 124.169 120.570 0.040 0.000 2.418 240 I HA 0.562 4.733 4.170 0.001 0.000 0.287 240 I C -0.248 175.995 176.117 0.210 0.000 1.008 240 I CA -0.715 60.620 61.300 0.058 0.000 1.104 240 I CB 1.681 39.667 38.000 -0.022 0.000 1.264 240 I HN 0.485 nan 8.210 nan 0.000 0.438 241 N N 2.929 121.699 118.700 0.116 0.000 3.116 241 N HA 0.507 5.248 4.740 0.001 0.000 0.244 241 N C -0.847 174.539 175.510 -0.207 0.000 1.485 241 N CA -0.365 52.772 53.050 0.146 0.000 0.884 241 N CB 2.426 40.924 38.487 0.019 0.000 1.415 241 N HN 0.628 nan 8.380 nan 0.000 0.524 242 G N 0.179 108.518 108.800 -0.767 0.000 2.511 242 G HA2 0.429 4.390 3.960 0.001 0.000 0.316 242 G HA3 0.429 4.390 3.960 0.001 0.000 0.316 242 G C -1.831 172.043 174.900 -1.710 0.000 1.210 242 G CA -1.057 43.120 45.100 -1.539 0.000 0.969 242 G HN 0.340 nan 8.290 nan 0.000 0.492 243 P HA -0.139 nan 4.420 nan 0.000 0.216 243 P C 1.434 177.895 177.300 -1.398 0.000 1.150 243 P CA 1.829 63.640 63.100 -2.148 0.000 0.843 243 P CB -0.024 30.854 31.700 -1.371 0.000 0.787 244 W N 0.067 121.064 121.300 -0.504 0.000 2.364 244 W HA -0.060 4.601 4.660 0.001 0.000 0.281 244 W C 1.918 178.344 176.519 -0.155 0.000 1.219 244 W CA 1.054 58.248 57.345 -0.251 0.000 1.220 244 W CB -2.001 27.373 29.460 -0.143 0.000 1.127 244 W HN -0.132 nan 8.180 nan 0.000 0.556 245 A N 0.115 122.650 122.820 -0.475 0.000 2.119 245 A HA -0.010 4.311 4.320 0.001 0.000 0.216 245 A C 1.575 179.154 177.584 -0.008 0.000 1.152 245 A CA 0.963 52.940 52.037 -0.099 0.000 0.708 245 A CB -1.229 17.684 19.000 -0.145 0.000 0.805 245 A HN 0.430 nan 8.150 nan 0.000 0.460 246 W N 0.159 121.383 121.300 -0.126 0.000 2.374 246 W HA -0.101 4.560 4.660 0.001 0.000 0.288 246 W C 2.685 179.171 176.519 -0.056 0.000 1.218 246 W CA 0.609 57.885 57.345 -0.115 0.000 1.245 246 W CB -1.492 27.978 29.460 0.017 0.000 1.126 246 W HN 0.431 nan 8.180 nan 0.000 0.545 247 S N 0.506 116.326 115.700 0.201 0.000 2.356 247 S HA -0.206 4.265 4.470 0.001 0.000 0.223 247 S C 1.640 176.295 174.600 0.092 0.000 1.032 247 S CA 1.843 60.127 58.200 0.140 0.000 1.005 247 S CB -0.522 62.738 63.200 0.101 0.000 0.867 247 S HN 0.369 nan 8.310 nan 0.000 0.449 248 N N 0.371 119.118 118.700 0.078 0.000 2.223 248 N HA -0.012 4.729 4.740 0.001 0.000 0.185 248 N C 1.740 177.268 175.510 0.031 0.000 1.016 248 N CA 1.496 54.582 53.050 0.060 0.000 0.863 248 N CB -0.224 38.311 38.487 0.081 0.000 0.983 248 N HN 0.444 nan 8.380 nan 0.000 0.429 249 I N 0.971 121.527 120.570 -0.022 0.000 2.315 249 I HA -0.199 3.972 4.170 0.001 0.000 0.248 249 I C 1.488 177.575 176.117 -0.049 0.000 1.117 249 I CA 0.902 62.132 61.300 -0.117 0.000 1.404 249 I CB -0.253 37.452 38.000 -0.493 0.000 1.071 249 I HN 0.043 nan 8.210 nan 0.000 0.419 250 D N 0.771 121.192 120.400 0.034 0.000 2.123 250 D HA -0.153 4.488 4.640 0.001 0.000 0.196 250 D C 2.208 178.558 176.300 0.084 0.000 0.992 250 D CA 1.614 55.695 54.000 0.135 0.000 0.833 250 D CB -0.379 40.514 40.800 0.156 0.000 0.954 250 D HN 0.262 nan 8.370 nan 0.000 0.455 251 T N 0.050 114.640 114.554 0.060 0.000 2.867 251 T HA -0.124 4.227 4.350 0.001 0.000 0.268 251 T C 1.995 176.716 174.700 0.035 0.000 1.057 251 T CA 1.467 63.594 62.100 0.045 0.000 1.136 251 T CB -0.216 68.677 68.868 0.040 0.000 0.874 251 T HN 0.224 nan 8.240 nan 0.000 0.466 252 S N 0.761 116.479 115.700 0.029 0.000 2.515 252 S HA -0.012 4.459 4.470 0.001 0.000 0.231 252 S C 1.023 175.632 174.600 0.014 0.000 0.987 252 S CA 0.382 58.590 58.200 0.015 0.000 0.936 252 S CB -0.247 62.955 63.200 0.004 0.000 0.766 252 S HN 0.288 nan 8.310 nan 0.000 0.528 253 K N -0.446 119.976 120.400 0.037 0.000 3.472 253 K HA -0.114 4.206 4.320 0.001 0.000 0.315 253 K C -0.158 176.466 176.600 0.039 0.000 1.320 253 K CA 0.752 57.064 56.287 0.040 0.000 0.962 253 K CB -2.806 29.705 32.500 0.018 0.000 1.251 253 K HN 0.483 nan 8.250 nan 0.000 0.443 254 V N 2.222 122.160 119.914 0.039 0.000 2.655 254 V HA -0.015 4.105 4.120 0.001 0.000 0.300 254 V C 1.103 177.271 176.094 0.122 0.000 1.044 254 V CA -0.235 62.075 62.300 0.016 0.000 1.095 254 V CB 0.999 32.776 31.823 -0.076 0.000 0.952 254 V HN 0.223 nan 8.190 nan 0.000 0.485 255 N N 4.919 123.641 118.700 0.037 0.000 2.605 255 N HA 0.146 4.887 4.740 0.001 0.000 0.258 255 N C -0.777 174.729 175.510 -0.007 0.000 1.156 255 N CA -0.291 52.760 53.050 0.002 0.000 1.008 255 N CB -0.210 38.248 38.487 -0.049 0.000 1.354 255 N HN 0.583 nan 8.380 nan 0.000 0.509 256 Y N 0.334 120.553 120.300 -0.135 0.000 2.496 256 Y HA 0.889 5.440 4.550 0.001 0.000 0.331 256 Y C 0.378 176.052 175.900 -0.376 0.000 1.140 256 Y CA -1.562 56.422 58.100 -0.193 0.000 1.166 256 Y CB 0.753 39.242 38.460 0.048 0.000 1.249 256 Y HN 0.216 nan 8.280 nan 0.000 0.479 257 G N 0.425 108.821 108.800 -0.674 0.000 2.533 257 G HA2 0.603 4.564 3.960 0.001 0.000 0.304 257 G HA3 0.603 4.564 3.960 0.001 0.000 0.304 257 G C -2.092 172.647 174.900 -0.270 0.000 1.263 257 G CA -1.168 43.526 45.100 -0.677 0.000 0.964 257 G HN 0.685 nan 8.290 nan 0.000 0.479 258 V N 0.386 120.220 119.914 -0.133 0.000 2.483 258 V HA 0.743 4.864 4.120 0.001 0.000 0.297 258 V C 0.172 176.304 176.094 0.063 0.000 1.027 258 V CA -0.426 61.868 62.300 -0.010 0.000 0.855 258 V CB 1.206 32.924 31.823 -0.175 0.000 0.995 258 V HN 0.974 nan 8.190 nan 0.000 0.424 259 T N 2.982 117.608 114.554 0.121 0.000 2.696 259 T HA 0.606 4.956 4.350 0.001 0.000 0.291 259 T C -0.680 174.028 174.700 0.013 0.000 1.095 259 T CA -0.338 61.797 62.100 0.059 0.000 1.026 259 T CB 1.910 70.810 68.868 0.052 0.000 1.390 259 T HN 0.297 nan 8.240 nan 0.000 0.513 260 V N 2.814 122.716 119.914 -0.020 0.000 2.740 260 V HA 0.243 4.364 4.120 0.001 0.000 0.303 260 V C 0.738 176.797 176.094 -0.058 0.000 1.054 260 V CA -0.154 62.128 62.300 -0.029 0.000 1.106 260 V CB 0.261 32.063 31.823 -0.035 0.000 0.957 260 V HN 0.650 nan 8.190 nan 0.000 0.486 261 L N 6.845 128.042 121.223 -0.044 0.000 2.467 261 L HA 0.226 4.567 4.340 0.001 0.000 0.270 261 L C -1.706 175.101 176.870 -0.105 0.000 1.205 261 L CA -1.240 53.555 54.840 -0.075 0.000 0.828 261 L CB 0.262 42.322 42.059 0.001 0.000 1.101 261 L HN 0.502 nan 8.230 nan 0.000 0.479 262 P HA 0.065 nan 4.420 nan 0.000 0.272 262 P C -0.612 176.706 177.300 0.029 0.000 1.230 262 P CA -0.405 62.543 63.100 -0.254 0.000 0.788 262 P CB 0.487 31.799 31.700 -0.646 0.000 0.949 263 T N -1.463 113.136 114.554 0.075 0.000 2.874 263 T HA 0.551 4.902 4.350 0.001 0.000 0.281 263 T C -0.746 174.148 174.700 0.323 0.000 0.994 263 T CA -0.456 61.740 62.100 0.160 0.000 1.015 263 T CB 0.525 69.419 68.868 0.044 0.000 1.028 263 T HN 0.291 nan 8.240 nan 0.000 0.523 264 F N 1.287 121.260 119.950 0.038 0.000 2.536 264 F HA 0.492 5.020 4.527 0.001 0.000 0.322 264 F C 0.375 176.102 175.800 -0.122 0.000 1.144 264 F CA -1.371 56.569 58.000 -0.101 0.000 0.924 264 F CB 1.221 40.060 39.000 -0.268 0.000 1.181 264 F HN 0.903 nan 8.300 nan 0.000 0.438 265 K N 4.503 124.465 120.400 -0.730 0.000 3.071 265 K HA -0.200 4.121 4.320 0.001 0.000 0.265 265 K C 0.924 177.354 176.600 -0.284 0.000 1.060 265 K CA 0.880 56.812 56.287 -0.592 0.000 0.767 265 K CB -1.630 30.398 32.500 -0.787 0.000 1.241 265 K HN 1.468 nan 8.250 nan 0.000 0.486 266 G N -0.660 108.034 108.800 -0.176 0.000 2.184 266 G HA2 -0.318 3.643 3.960 0.001 0.000 0.264 266 G HA3 -0.318 3.643 3.960 0.001 0.000 0.264 266 G C -0.099 174.759 174.900 -0.070 0.000 0.975 266 G CA 0.672 45.712 45.100 -0.101 0.000 0.642 266 G HN 0.299 nan 8.290 nan 0.000 0.536 267 Q N 0.841 120.599 119.800 -0.071 0.000 2.245 267 Q HA 0.489 4.829 4.340 0.001 0.000 0.256 267 Q C -2.350 173.660 176.000 0.016 0.000 0.942 267 Q CA -2.097 53.686 55.803 -0.032 0.000 0.896 267 Q CB 2.179 30.892 28.738 -0.041 0.000 1.272 267 Q HN 0.327 nan 8.270 nan 0.000 0.442 268 P HA 0.069 nan 4.420 nan 0.000 0.272 268 P C -0.431 176.896 177.300 0.045 0.000 1.223 268 P CA -0.136 62.982 63.100 0.030 0.000 0.784 268 P CB 0.753 32.457 31.700 0.007 0.000 0.923 269 S N 1.580 117.328 115.700 0.080 0.000 2.576 269 S HA 0.119 4.590 4.470 0.001 0.000 0.276 269 S C 0.382 174.988 174.600 0.011 0.000 1.339 269 S CA -0.191 58.050 58.200 0.068 0.000 1.039 269 S CB -0.042 63.259 63.200 0.169 0.000 0.902 269 S HN 0.292 nan 8.310 nan 0.000 0.516 270 K N 3.242 123.614 120.400 -0.046 0.000 2.499 270 K HA 0.272 4.593 4.320 0.001 0.000 0.215 270 K C -2.604 173.996 176.600 -0.001 0.000 1.041 270 K CA -1.713 54.553 56.287 -0.035 0.000 1.031 270 K CB 0.998 33.455 32.500 -0.071 0.000 1.479 270 K HN 0.404 nan 8.250 nan 0.000 0.518 271 P HA -0.011 nan 4.420 nan 0.000 0.271 271 P C -0.589 176.882 177.300 0.284 0.000 1.218 271 P CA -0.244 62.934 63.100 0.130 0.000 0.780 271 P CB 0.556 32.279 31.700 0.038 0.000 0.901 272 F N 1.862 122.022 119.950 0.350 0.000 2.445 272 F HA 0.108 4.635 4.527 0.001 0.000 0.359 272 F C 0.476 176.466 175.800 0.318 0.000 1.101 272 F CA -0.670 57.542 58.000 0.354 0.000 1.177 272 F CB 0.433 39.658 39.000 0.374 0.000 1.110 272 F HN -0.015 nan 8.300 nan 0.000 0.522 273 V N 4.634 124.878 119.914 0.550 0.000 2.461 273 V HA 0.525 4.646 4.120 0.001 0.000 0.275 273 V C 0.589 176.942 176.094 0.431 0.000 1.047 273 V CA -0.538 62.002 62.300 0.402 0.000 0.955 273 V CB 0.857 32.854 31.823 0.291 0.000 0.988 273 V HN 0.853 nan 8.190 nan 0.000 0.471 274 G N 3.394 112.424 108.800 0.382 0.000 2.416 274 G HA2 0.574 4.534 3.960 0.001 0.000 0.329 274 G HA3 0.574 4.534 3.960 0.001 0.000 0.329 274 G C -1.052 174.015 174.900 0.278 0.000 1.173 274 G CA -0.471 44.837 45.100 0.347 0.000 0.929 274 G HN 0.526 nan 8.290 nan 0.000 0.475 275 V N 3.547 123.674 119.914 0.356 0.000 2.311 275 V HA 0.183 4.303 4.120 0.001 0.000 0.275 275 V C 0.194 176.308 176.094 0.034 0.000 1.022 275 V CA -0.735 61.617 62.300 0.087 0.000 0.830 275 V CB 0.982 32.715 31.823 -0.151 0.000 1.012 275 V HN 0.701 nan 8.190 nan 0.000 0.452 276 L N 6.195 127.423 121.223 0.007 0.000 2.534 276 L HA 0.305 4.646 4.340 0.001 0.000 0.271 276 L C 0.350 177.193 176.870 -0.045 0.000 1.178 276 L CA 1.330 56.163 54.840 -0.010 0.000 0.907 276 L CB 0.400 42.484 42.059 0.043 0.000 1.164 276 L HN 0.709 nan 8.230 nan 0.000 0.482 277 S N 3.250 118.875 115.700 -0.124 0.000 2.632 277 S HA 0.901 5.372 4.470 0.001 0.000 0.289 277 S C -0.840 173.612 174.600 -0.246 0.000 1.115 277 S CA -0.357 57.685 58.200 -0.264 0.000 0.889 277 S CB 1.853 64.701 63.200 -0.588 0.000 1.116 277 S HN 0.900 nan 8.310 nan 0.000 0.486 278 A N 1.111 123.761 122.820 -0.282 0.000 2.285 278 A HA 0.765 5.086 4.320 0.001 0.000 0.310 278 A C 0.171 177.774 177.584 0.032 0.000 1.266 278 A CA -0.571 51.196 52.037 -0.449 0.000 0.832 278 A CB 0.344 18.841 19.000 -0.837 0.000 1.163 278 A HN 0.895 nan 8.150 nan 0.000 0.499 279 G N 1.187 110.119 108.800 0.220 0.000 2.410 279 G HA2 0.594 4.555 3.960 0.001 0.000 0.330 279 G HA3 0.594 4.555 3.960 0.001 0.000 0.330 279 G C -0.567 174.347 174.900 0.023 0.000 1.142 279 G CA -0.622 44.623 45.100 0.241 0.000 0.902 279 G HN 0.674 nan 8.290 nan 0.000 0.491 280 I N 1.494 122.100 120.570 0.060 0.000 2.377 280 I HA 0.148 4.319 4.170 0.001 0.000 0.293 280 I C 0.016 176.149 176.117 0.027 0.000 0.987 280 I CA -0.989 60.331 61.300 0.033 0.000 1.185 280 I CB 1.683 39.729 38.000 0.077 0.000 1.341 280 I HN 0.333 nan 8.210 nan 0.000 0.455 281 N N 4.362 123.071 118.700 0.015 0.000 2.447 281 N HA 0.024 4.765 4.740 0.001 0.000 0.263 281 N C 0.874 176.390 175.510 0.011 0.000 1.226 281 N CA 0.298 53.378 53.050 0.051 0.000 0.906 281 N CB 1.518 40.005 38.487 0.000 0.000 1.060 281 N HN 0.808 nan 8.380 nan 0.000 0.468 282 A N 3.945 126.771 122.820 0.010 0.000 2.024 282 A HA -0.087 4.233 4.320 0.001 0.000 0.220 282 A C 1.734 179.302 177.584 -0.028 0.000 1.164 282 A CA 1.797 53.832 52.037 -0.004 0.000 0.643 282 A CB -0.382 18.614 19.000 -0.006 0.000 0.806 282 A HN 0.741 nan 8.150 nan 0.000 0.451 283 A N -0.735 122.051 122.820 -0.056 0.000 2.278 283 A HA 0.393 4.714 4.320 0.001 0.000 0.212 283 A C 1.191 178.740 177.584 -0.058 0.000 1.213 283 A CA 0.606 52.603 52.037 -0.066 0.000 0.840 283 A CB -0.449 18.491 19.000 -0.101 0.000 0.866 283 A HN 0.396 nan 8.150 nan 0.000 0.489 284 S N 0.411 116.083 115.700 -0.046 0.000 2.528 284 S HA 0.363 4.834 4.470 0.001 0.000 0.277 284 S C -1.900 172.685 174.600 -0.025 0.000 1.297 284 S CA -1.058 57.117 58.200 -0.042 0.000 1.052 284 S CB 0.814 63.993 63.200 -0.035 0.000 0.917 284 S HN 0.173 nan 8.310 nan 0.000 0.492 285 P HA 0.219 nan 4.420 nan 0.000 0.255 285 P C -0.679 176.619 177.300 -0.002 0.000 1.248 285 P CA 0.235 63.327 63.100 -0.014 0.000 0.807 285 P CB -0.016 31.673 31.700 -0.018 0.000 1.150 286 N N -0.668 118.031 118.700 -0.002 0.000 2.467 286 N HA 0.155 4.896 4.740 0.001 0.000 0.278 286 N C 0.875 176.399 175.510 0.024 0.000 1.306 286 N CA -0.322 52.736 53.050 0.013 0.000 0.905 286 N CB 0.260 38.751 38.487 0.007 0.000 1.236 286 N HN -0.068 nan 8.380 nan 0.000 0.509 287 K N 0.562 120.977 120.400 0.025 0.000 2.032 287 K HA -0.212 4.109 4.320 0.001 0.000 0.209 287 K C 1.608 178.243 176.600 0.059 0.000 1.048 287 K CA 1.271 57.582 56.287 0.040 0.000 0.927 287 K CB 0.102 32.624 32.500 0.037 0.000 0.712 287 K HN 0.161 nan 8.250 nan 0.000 0.441 288 E N 1.469 121.705 120.200 0.059 0.000 2.077 288 E HA -0.122 4.229 4.350 0.001 0.000 0.193 288 E C 1.839 178.501 176.600 0.105 0.000 0.989 288 E CA 1.116 57.561 56.400 0.074 0.000 0.800 288 E CB -0.230 29.508 29.700 0.064 0.000 0.746 288 E HN 0.212 nan 8.360 nan 0.000 0.452 289 L N -0.221 121.072 121.223 0.117 0.000 2.046 289 L HA -0.142 4.199 4.340 0.001 0.000 0.208 289 L C 2.485 179.419 176.870 0.107 0.000 1.077 289 L CA 1.174 56.135 54.840 0.202 0.000 0.747 289 L CB -0.569 41.611 42.059 0.203 0.000 0.896 289 L HN 0.212 nan 8.230 nan 0.000 0.432 290 A N 0.115 122.959 122.820 0.039 0.000 1.902 290 A HA -0.212 4.108 4.320 0.001 0.000 0.217 290 A C 2.300 179.898 177.584 0.025 0.000 1.181 290 A CA 1.634 53.671 52.037 0.001 0.000 0.623 290 A CB -0.303 18.707 19.000 0.017 0.000 0.818 290 A HN 0.324 nan 8.150 nan 0.000 0.443 291 K N -0.254 120.181 120.400 0.059 0.000 2.097 291 K HA -0.124 4.197 4.320 0.001 0.000 0.205 291 K C 1.917 178.481 176.600 -0.061 0.000 1.050 291 K CA 1.520 57.828 56.287 0.035 0.000 0.938 291 K CB -0.143 32.432 32.500 0.126 0.000 0.718 291 K HN 0.625 nan 8.250 nan 0.000 0.442 292 E N 0.161 120.393 120.200 0.055 0.000 2.072 292 E HA -0.179 4.172 4.350 0.001 0.000 0.191 292 E C 1.790 178.475 176.600 0.142 0.000 0.985 292 E CA 0.937 57.428 56.400 0.152 0.000 0.801 292 E CB -0.141 29.759 29.700 0.334 0.000 0.750 292 E HN 0.218 nan 8.360 nan 0.000 0.452 293 F N 1.598 121.373 119.950 -0.292 0.000 2.102 293 F HA -0.180 4.348 4.527 0.001 0.000 0.298 293 F C 1.859 177.527 175.800 -0.220 0.000 1.105 293 F CA 1.390 59.028 58.000 -0.602 0.000 1.239 293 F CB -0.160 38.200 39.000 -1.067 0.000 0.991 293 F HN -0.101 nan 8.300 nan 0.000 0.474 294 L N -0.154 120.865 121.223 -0.340 0.000 2.027 294 L HA -0.166 4.175 4.340 0.001 0.000 0.206 294 L C 2.516 179.078 176.870 -0.513 0.000 1.074 294 L CA 1.729 56.271 54.840 -0.496 0.000 0.745 294 L CB -0.845 40.841 42.059 -0.621 0.000 0.898 294 L HN 0.154 nan 8.230 nan 0.000 0.433 295 E N 0.250 120.109 120.200 -0.568 0.000 2.047 295 E HA -0.163 4.188 4.350 0.001 0.000 0.191 295 E C 1.774 178.295 176.600 -0.132 0.000 0.987 295 E CA 1.321 57.434 56.400 -0.478 0.000 0.799 295 E CB 0.046 29.354 29.700 -0.654 0.000 0.752 295 E HN 0.568 nan 8.360 nan 0.000 0.449 296 N N -1.492 117.175 118.700 -0.056 0.000 2.405 296 N HA -0.027 4.714 4.740 0.001 0.000 0.175 296 N C 0.919 176.328 175.510 -0.168 0.000 1.051 296 N CA 0.370 53.410 53.050 -0.016 0.000 0.899 296 N CB 0.342 38.889 38.487 0.101 0.000 1.000 296 N HN 0.089 nan 8.380 nan 0.000 0.451 297 Y N -0.017 120.168 120.300 -0.191 0.000 2.576 297 Y HA 0.201 4.751 4.550 0.001 0.000 0.282 297 Y C 1.791 177.495 175.900 -0.326 0.000 1.139 297 Y CA -0.225 57.738 58.100 -0.229 0.000 1.265 297 Y CB -0.466 37.847 38.460 -0.244 0.000 1.376 297 Y HN -0.096 nan 8.280 nan 0.000 0.511 298 L N 0.211 121.212 121.223 -0.370 0.000 2.044 298 L HA 0.031 4.371 4.340 0.001 0.000 0.205 298 L C 0.879 177.668 176.870 -0.136 0.000 1.075 298 L CA 1.715 56.381 54.840 -0.289 0.000 0.747 298 L CB -0.625 41.233 42.059 -0.335 0.000 0.903 298 L HN 0.124 nan 8.230 nan 0.000 0.435 299 L N 1.319 122.489 121.223 -0.089 0.000 2.650 299 L HA 0.157 4.498 4.340 0.001 0.000 0.239 299 L C -0.117 176.751 176.870 -0.003 0.000 1.412 299 L CA -0.049 54.794 54.840 0.005 0.000 1.219 299 L CB -1.398 40.760 42.059 0.165 0.000 1.534 299 L HN 0.412 nan 8.230 nan 0.000 0.430 300 T N -6.368 108.142 114.554 -0.074 0.000 2.883 300 T HA 0.281 4.631 4.350 0.001 0.000 0.296 300 T C 0.527 175.131 174.700 -0.160 0.000 1.117 300 T CA -0.877 61.169 62.100 -0.090 0.000 1.006 300 T CB 2.089 70.893 68.868 -0.106 0.000 1.191 300 T HN -0.058 nan 8.240 nan 0.000 0.508 301 D N 0.639 120.951 120.400 -0.147 0.000 2.104 301 D HA -0.095 4.545 4.640 0.001 0.000 0.194 301 D C 1.833 177.931 176.300 -0.337 0.000 0.994 301 D CA 1.577 55.431 54.000 -0.245 0.000 0.830 301 D CB 0.033 40.793 40.800 -0.067 0.000 0.959 301 D HN 0.781 nan 8.370 nan 0.000 0.452 302 E N 0.031 120.120 120.200 -0.184 0.000 2.106 302 E HA -0.069 4.282 4.350 0.001 0.000 0.192 302 E C 2.172 178.684 176.600 -0.147 0.000 0.984 302 E CA 0.931 57.246 56.400 -0.141 0.000 0.806 302 E CB -0.171 29.483 29.700 -0.077 0.000 0.750 302 E HN 0.283 nan 8.360 nan 0.000 0.458 303 G N 1.472 110.181 108.800 -0.151 0.000 2.414 303 G HA2 -0.206 3.755 3.960 0.001 0.000 0.215 303 G HA3 -0.206 3.755 3.960 0.001 0.000 0.215 303 G C 1.600 176.411 174.900 -0.150 0.000 1.188 303 G CA 0.303 45.333 45.100 -0.117 0.000 0.783 303 G HN 0.067 nan 8.290 nan 0.000 0.537 304 L N 0.321 121.393 121.223 -0.251 0.000 2.141 304 L HA -0.012 4.329 4.340 0.001 0.000 0.209 304 L C 2.731 179.418 176.870 -0.304 0.000 1.094 304 L CA 1.374 56.060 54.840 -0.256 0.000 0.763 304 L CB -0.352 41.523 42.059 -0.305 0.000 0.908 304 L HN 0.397 nan 8.230 nan 0.000 0.437 305 E N 0.730 120.631 120.200 -0.498 0.000 2.110 305 E HA -0.236 4.114 4.350 0.001 0.000 0.193 305 E C 2.216 178.787 176.600 -0.048 0.000 0.988 305 E CA 1.204 57.463 56.400 -0.235 0.000 0.804 305 E CB 0.043 29.619 29.700 -0.206 0.000 0.745 305 E HN 0.438 nan 8.360 nan 0.000 0.458 306 A N 0.472 123.255 122.820 -0.062 0.000 1.902 306 A HA -0.117 4.204 4.320 0.001 0.000 0.217 306 A C 2.385 179.968 177.584 -0.002 0.000 1.181 306 A CA 1.455 53.485 52.037 -0.012 0.000 0.623 306 A CB -0.581 18.418 19.000 -0.001 0.000 0.818 306 A HN 0.226 nan 8.150 nan 0.000 0.443 307 V N 0.531 120.440 119.914 -0.009 0.000 2.307 307 V HA -0.238 3.882 4.120 0.001 0.000 0.245 307 V C 2.380 178.489 176.094 0.025 0.000 1.045 307 V CA 2.247 64.545 62.300 -0.003 0.000 1.024 307 V CB -1.139 30.681 31.823 -0.006 0.000 0.651 307 V HN 0.711 nan 8.190 nan 0.000 0.449 308 N N 0.415 119.157 118.700 0.071 0.000 2.149 308 N HA -0.239 4.501 4.740 0.001 0.000 0.188 308 N C 1.845 177.420 175.510 0.109 0.000 1.019 308 N CA 1.621 54.749 53.050 0.131 0.000 0.857 308 N CB -0.254 38.391 38.487 0.264 0.000 0.997 308 N HN 0.442 nan 8.380 nan 0.000 0.426 309 K N -0.167 120.284 120.400 0.086 0.000 2.147 309 K HA -0.174 4.147 4.320 0.001 0.000 0.205 309 K C 1.265 177.890 176.600 0.043 0.000 1.049 309 K CA 1.509 57.839 56.287 0.071 0.000 0.936 309 K CB -0.121 32.411 32.500 0.053 0.000 0.722 309 K HN 0.222 nan 8.250 nan 0.000 0.446 310 D N 0.163 120.570 120.400 0.012 0.000 2.106 310 D HA -0.033 4.608 4.640 0.001 0.000 0.203 310 D C -0.210 176.080 176.300 -0.016 0.000 0.977 310 D CA 1.234 55.214 54.000 -0.033 0.000 0.844 310 D CB 0.431 41.176 40.800 -0.092 0.000 1.002 310 D HN -0.098 nan 8.370 nan 0.000 0.461 311 K N 0.299 120.699 120.400 -0.000 0.000 2.535 311 K HA 0.394 4.714 4.320 0.001 0.000 0.250 311 K C -2.695 173.938 176.600 0.055 0.000 0.948 311 K CA -2.126 54.181 56.287 0.034 0.000 0.796 311 K CB 1.998 34.513 32.500 0.025 0.000 1.216 311 K HN -0.058 nan 8.250 nan 0.000 0.432 312 P HA 0.094 nan 4.420 nan 0.000 0.264 312 P C 0.573 177.862 177.300 -0.020 0.000 1.193 312 P CA 0.092 63.215 63.100 0.039 0.000 0.763 312 P CB 0.554 32.276 31.700 0.038 0.000 0.810 313 L N 2.174 123.424 121.223 0.046 0.000 2.446 313 L HA 0.163 4.504 4.340 0.001 0.000 0.219 313 L C 1.570 178.450 176.870 0.016 0.000 1.116 313 L CA 1.007 55.885 54.840 0.064 0.000 0.844 313 L CB -0.762 41.369 42.059 0.120 0.000 0.970 313 L HN 0.736 nan 8.230 nan 0.000 0.457 314 G N 0.027 108.802 108.800 -0.042 0.000 2.496 314 G HA2 -0.227 3.733 3.960 0.001 0.000 0.243 314 G HA3 -0.227 3.733 3.960 0.001 0.000 0.243 314 G C -0.068 174.873 174.900 0.067 0.000 1.176 314 G CA -0.322 44.752 45.100 -0.043 0.000 0.940 314 G HN 0.447 nan 8.290 nan 0.000 0.573 315 A N -0.186 122.681 122.820 0.078 0.000 2.371 315 A HA 0.758 5.079 4.320 0.001 0.000 0.257 315 A C 0.743 178.389 177.584 0.103 0.000 1.089 315 A CA 0.669 52.757 52.037 0.084 0.000 0.794 315 A CB 0.611 19.659 19.000 0.081 0.000 1.029 315 A HN 2.313 nan 8.150 nan 0.000 0.488 316 V N -0.932 119.056 119.914 0.124 0.000 2.881 316 V HA 0.764 4.885 4.120 0.001 0.000 0.316 316 V C 0.937 177.135 176.094 0.173 0.000 1.070 316 V CA -0.079 62.311 62.300 0.151 0.000 0.976 316 V CB 1.089 33.048 31.823 0.227 0.000 1.038 316 V HN 1.317 nan 8.190 nan 0.000 0.446 317 A N 2.522 125.388 122.820 0.076 0.000 2.014 317 A HA 0.176 4.497 4.320 0.001 0.000 0.218 317 A C 1.135 178.687 177.584 -0.054 0.000 1.163 317 A CA 0.783 52.822 52.037 0.004 0.000 0.652 317 A CB -0.476 18.391 19.000 -0.221 0.000 0.808 317 A HN 1.016 nan 8.150 nan 0.000 0.449 318 L N 0.964 122.171 121.223 -0.025 0.000 2.385 318 L HA 0.177 4.518 4.340 0.001 0.000 0.281 318 L C 1.061 177.885 176.870 -0.077 0.000 1.106 318 L CA 0.122 54.908 54.840 -0.090 0.000 0.856 318 L CB 0.271 42.326 42.059 -0.006 0.000 1.186 318 L HN 0.277 nan 8.230 nan 0.000 0.453 319 K N 1.607 121.814 120.400 -0.321 0.000 2.034 319 K HA -0.239 4.082 4.320 0.001 0.000 0.214 319 K C 2.015 178.598 176.600 -0.030 0.000 1.051 319 K CA 2.020 58.135 56.287 -0.288 0.000 0.931 319 K CB -0.312 31.948 32.500 -0.399 0.000 0.715 319 K HN 0.900 nan 8.250 nan 0.000 0.446 320 S N 0.348 116.034 115.700 -0.023 0.000 2.383 320 S HA -0.232 4.238 4.470 0.001 0.000 0.229 320 S C 2.065 176.744 174.600 0.133 0.000 1.030 320 S CA 1.222 59.447 58.200 0.043 0.000 1.002 320 S CB -0.582 62.633 63.200 0.025 0.000 0.829 320 S HN 0.367 nan 8.310 nan 0.000 0.467 321 Y N 2.318 122.619 120.300 0.002 0.000 2.314 321 Y HA 0.175 4.726 4.550 0.001 0.000 0.294 321 Y C 2.444 178.380 175.900 0.059 0.000 1.119 321 Y CA 1.175 59.291 58.100 0.027 0.000 1.179 321 Y CB -0.628 37.845 38.460 0.022 0.000 1.025 321 Y HN 0.318 nan 8.280 nan 0.000 0.541 322 E N 0.787 121.022 120.200 0.059 0.000 2.160 322 E HA -0.214 4.137 4.350 0.001 0.000 0.195 322 E C 1.836 178.436 176.600 -0.001 0.000 0.991 322 E CA 1.610 58.025 56.400 0.026 0.000 0.810 322 E CB -0.158 29.683 29.700 0.236 0.000 0.742 322 E HN 0.387 nan 8.360 nan 0.000 0.466 323 E N 0.484 120.708 120.200 0.040 0.000 2.118 323 E HA -0.180 4.171 4.350 0.001 0.000 0.195 323 E C 1.708 178.299 176.600 -0.015 0.000 0.992 323 E CA 1.554 57.972 56.400 0.031 0.000 0.804 323 E CB -0.060 29.667 29.700 0.045 0.000 0.741 323 E HN 0.473 nan 8.360 nan 0.000 0.458 324 E N -0.749 119.416 120.200 -0.059 0.000 2.299 324 E HA 0.000 4.351 4.350 0.001 0.000 0.193 324 E C 1.740 178.253 176.600 -0.146 0.000 0.998 324 E CA 0.324 56.675 56.400 -0.081 0.000 0.851 324 E CB 0.164 29.837 29.700 -0.044 0.000 0.795 324 E HN 0.253 nan 8.360 nan 0.000 0.492 325 L N 0.158 121.245 121.223 -0.228 0.000 2.354 325 L HA 0.143 4.484 4.340 0.001 0.000 0.212 325 L C 2.397 179.222 176.870 -0.075 0.000 1.091 325 L CA 0.262 54.990 54.840 -0.186 0.000 0.828 325 L CB -0.132 41.764 42.059 -0.272 0.000 0.973 325 L HN 0.076 nan 8.230 nan 0.000 0.461 326 A N 1.506 124.295 122.820 -0.052 0.000 2.131 326 A HA -0.221 4.100 4.320 0.001 0.000 0.220 326 A C 2.247 179.817 177.584 -0.024 0.000 1.158 326 A CA 1.754 53.779 52.037 -0.022 0.000 0.665 326 A CB -0.460 18.537 19.000 -0.005 0.000 0.795 326 A HN 0.564 nan 8.150 nan 0.000 0.460 327 K N -0.531 119.850 120.400 -0.032 0.000 2.296 327 K HA -0.043 4.278 4.320 0.001 0.000 0.200 327 K C 0.028 176.603 176.600 -0.042 0.000 1.048 327 K CA 0.605 56.873 56.287 -0.032 0.000 0.966 327 K CB -0.190 32.293 32.500 -0.029 0.000 0.754 327 K HN 0.250 nan 8.250 nan 0.000 0.466 328 D N 2.989 123.363 120.400 -0.043 0.000 2.371 328 D HA 0.049 4.689 4.640 0.001 0.000 0.256 328 D C -1.353 174.899 176.300 -0.080 0.000 1.193 328 D CA -2.272 51.691 54.000 -0.062 0.000 0.881 328 D CB 1.518 42.294 40.800 -0.040 0.000 1.143 328 D HN 0.002 nan 8.370 nan 0.000 0.473 329 P HA -0.157 nan 4.420 nan 0.000 0.219 329 P C 1.058 178.270 177.300 -0.147 0.000 1.146 329 P CA 0.939 63.969 63.100 -0.117 0.000 0.808 329 P CB 0.424 32.043 31.700 -0.135 0.000 0.779 330 R N -0.803 119.546 120.500 -0.252 0.000 2.092 330 R HA -0.012 4.329 4.340 0.001 0.000 0.231 330 R C 2.411 178.670 176.300 -0.069 0.000 1.119 330 R CA 0.905 56.770 56.100 -0.391 0.000 0.970 330 R CB -0.524 29.154 30.300 -1.037 0.000 0.864 330 R HN 0.191 nan 8.270 nan 0.000 0.440 331 I N 0.692 121.283 120.570 0.034 0.000 2.353 331 I HA -0.123 4.048 4.170 0.001 0.000 0.248 331 I C 2.466 178.628 176.117 0.074 0.000 1.119 331 I CA 1.043 62.435 61.300 0.154 0.000 1.417 331 I CB -1.305 36.757 38.000 0.103 0.000 1.078 331 I HN 0.116 nan 8.210 nan 0.000 0.421 332 A N 1.100 123.929 122.820 0.015 0.000 1.902 332 A HA -0.134 4.187 4.320 0.001 0.000 0.217 332 A C 2.574 180.164 177.584 0.010 0.000 1.181 332 A CA 2.011 54.048 52.037 -0.000 0.000 0.623 332 A CB -0.741 18.245 19.000 -0.023 0.000 0.818 332 A HN 0.400 nan 8.150 nan 0.000 0.443 333 A N -1.089 121.738 122.820 0.012 0.000 1.933 333 A HA -0.069 4.252 4.320 0.001 0.000 0.218 333 A C 2.290 179.911 177.584 0.062 0.000 1.175 333 A CA 2.247 54.299 52.037 0.025 0.000 0.628 333 A CB -1.216 17.794 19.000 0.016 0.000 0.814 333 A HN 0.435 nan 8.150 nan 0.000 0.444 334 T N 0.221 114.843 114.554 0.114 0.000 2.708 334 T HA -0.162 4.188 4.350 0.001 0.000 0.266 334 T C 1.942 176.684 174.700 0.070 0.000 1.037 334 T CA 1.873 64.049 62.100 0.126 0.000 1.146 334 T CB -0.331 68.650 68.868 0.187 0.000 0.865 334 T HN 0.471 nan 8.240 nan 0.000 0.435 335 M N 0.769 120.399 119.600 0.049 0.000 2.159 335 M HA -0.089 4.392 4.480 0.001 0.000 0.263 335 M C 2.335 178.632 176.300 -0.005 0.000 1.063 335 M CA 1.565 56.871 55.300 0.011 0.000 1.110 335 M CB -0.443 32.152 32.600 -0.009 0.000 1.374 335 M HN 0.299 nan 8.290 nan 0.000 0.411 336 E N 0.284 120.484 120.200 0.001 0.000 2.077 336 E HA -0.154 4.197 4.350 0.001 0.000 0.193 336 E C 1.788 178.388 176.600 -0.000 0.000 0.989 336 E CA 0.943 57.339 56.400 -0.008 0.000 0.800 336 E CB -0.200 29.495 29.700 -0.008 0.000 0.746 336 E HN 0.495 nan 8.360 nan 0.000 0.452 337 N N 0.646 119.355 118.700 0.016 0.000 2.188 337 N HA -0.093 4.648 4.740 0.001 0.000 0.184 337 N C 1.750 177.278 175.510 0.030 0.000 1.018 337 N CA 1.107 54.170 53.050 0.022 0.000 0.858 337 N CB -0.125 38.380 38.487 0.029 0.000 0.989 337 N HN 0.108 nan 8.380 nan 0.000 0.426 338 A N 1.315 124.155 122.820 0.032 0.000 1.930 338 A HA -0.148 4.173 4.320 0.001 0.000 0.217 338 A C 2.117 179.703 177.584 0.003 0.000 1.175 338 A CA 1.149 53.210 52.037 0.039 0.000 0.627 338 A CB -0.466 18.556 19.000 0.036 0.000 0.815 338 A HN 0.333 nan 8.150 nan 0.000 0.443 339 Q N -0.501 119.284 119.800 -0.026 0.000 2.224 339 Q HA -0.087 4.254 4.340 0.001 0.000 0.203 339 Q C 1.646 177.632 176.000 -0.025 0.000 0.970 339 Q CA 1.349 57.122 55.803 -0.050 0.000 0.865 339 Q CB -0.106 28.596 28.738 -0.060 0.000 0.922 339 Q HN 0.619 nan 8.270 nan 0.000 0.445 340 K N -0.043 120.353 120.400 -0.006 0.000 2.418 340 K HA 0.055 4.376 4.320 0.001 0.000 0.195 340 K C 0.980 177.590 176.600 0.016 0.000 1.035 340 K CA 0.388 56.675 56.287 0.000 0.000 1.003 340 K CB 0.437 32.938 32.500 0.001 0.000 0.793 340 K HN 0.128 nan 8.250 nan 0.000 0.494 341 G N 1.539 110.362 108.800 0.038 0.000 2.695 341 G HA2 0.234 4.195 3.960 0.001 0.000 0.213 341 G HA3 0.234 4.195 3.960 0.001 0.000 0.213 341 G C -0.904 174.059 174.900 0.106 0.000 1.406 341 G CA -0.409 44.737 45.100 0.077 0.000 1.049 341 G HN 0.214 nan 8.290 nan 0.000 0.573 342 E N -1.424 118.897 120.200 0.201 0.000 2.366 342 E HA 0.437 4.788 4.350 0.001 0.000 0.278 342 E C -1.108 175.736 176.600 0.407 0.000 0.923 342 E CA -0.862 55.690 56.400 0.253 0.000 0.761 342 E CB 1.777 31.636 29.700 0.265 0.000 1.231 342 E HN 0.341 nan 8.360 nan 0.000 0.443 343 I N 2.659 123.414 120.570 0.308 0.000 2.692 343 I HA 0.049 4.220 4.170 0.001 0.000 0.284 343 I C 0.833 177.179 176.117 0.381 0.000 1.159 343 I CA -0.031 61.467 61.300 0.330 0.000 1.423 343 I CB 0.426 38.554 38.000 0.214 0.000 1.380 343 I HN 0.469 nan 8.210 nan 0.000 0.580 344 M N 7.669 127.454 119.600 0.309 0.000 2.243 344 M HA 0.215 4.696 4.480 0.001 0.000 0.341 344 M C -2.086 174.213 176.300 -0.002 0.000 1.130 344 M CA -1.353 53.839 55.300 -0.181 0.000 1.162 344 M CB 0.201 32.535 32.600 -0.442 0.000 1.497 344 M HN 0.282 nan 8.290 nan 0.000 0.456 345 P HA 0.114 nan 4.420 nan 0.000 0.274 345 P C -0.800 176.395 177.300 -0.177 0.000 1.256 345 P CA -0.191 62.714 63.100 -0.325 0.000 0.795 345 P CB 0.362 31.427 31.700 -1.059 0.000 1.038 346 N N -0.168 118.525 118.700 -0.012 0.000 2.200 346 N HA 0.069 4.810 4.740 0.001 0.000 0.224 346 N C 0.577 176.083 175.510 -0.007 0.000 1.179 346 N CA -0.482 52.578 53.050 0.016 0.000 0.877 346 N CB -0.887 37.714 38.487 0.190 0.000 1.072 346 N HN 0.403 nan 8.380 nan 0.000 0.519 347 I N -2.471 118.071 120.570 -0.047 0.000 2.948 347 I HA 0.206 4.377 4.170 0.001 0.000 0.290 347 I C -1.492 174.564 176.117 -0.102 0.000 1.226 347 I CA -1.368 59.920 61.300 -0.020 0.000 1.413 347 I CB 0.315 38.217 38.000 -0.163 0.000 1.352 347 I HN -0.272 nan 8.210 nan 0.000 0.597 348 P HA -0.183 nan 4.420 nan 0.000 0.217 348 P C 1.067 178.329 177.300 -0.063 0.000 1.148 348 P CA 1.486 64.539 63.100 -0.078 0.000 0.828 348 P CB 0.031 31.718 31.700 -0.022 0.000 0.783 349 Q N -2.049 117.688 119.800 -0.106 0.000 2.500 349 Q HA -0.012 4.329 4.340 0.001 0.000 0.213 349 Q C 1.842 177.890 176.000 0.080 0.000 0.974 349 Q CA 0.873 56.649 55.803 -0.045 0.000 0.918 349 Q CB -0.716 27.906 28.738 -0.194 0.000 0.980 349 Q HN 0.219 nan 8.270 nan 0.000 0.505 350 M N -0.617 118.987 119.600 0.007 0.000 2.159 350 M HA -0.132 4.349 4.480 0.001 0.000 0.263 350 M C 1.855 178.299 176.300 0.240 0.000 1.063 350 M CA 1.328 56.680 55.300 0.087 0.000 1.110 350 M CB -0.889 31.701 32.600 -0.018 0.000 1.374 350 M HN 0.114 nan 8.290 nan 0.000 0.411 351 S N 0.897 116.706 115.700 0.182 0.000 2.359 351 S HA -0.107 4.364 4.470 0.001 0.000 0.224 351 S C 2.080 176.830 174.600 0.251 0.000 1.035 351 S CA 1.449 59.778 58.200 0.215 0.000 1.018 351 S CB -0.383 62.872 63.200 0.092 0.000 0.876 351 S HN 0.589 nan 8.310 nan 0.000 0.448 352 A N 1.020 123.964 122.820 0.207 0.000 1.902 352 A HA -0.054 4.267 4.320 0.001 0.000 0.217 352 A C 1.904 179.649 177.584 0.269 0.000 1.181 352 A CA 1.473 53.642 52.037 0.219 0.000 0.623 352 A CB -0.869 18.240 19.000 0.182 0.000 0.818 352 A HN 0.514 nan 8.150 nan 0.000 0.443 353 F N -0.713 119.308 119.950 0.118 0.000 2.069 353 F HA -0.212 4.316 4.527 0.001 0.000 0.298 353 F C 2.047 177.841 175.800 -0.009 0.000 1.113 353 F CA 1.782 59.763 58.000 -0.032 0.000 1.214 353 F CB -0.675 38.202 39.000 -0.205 0.000 0.978 353 F HN 0.399 nan 8.300 nan 0.000 0.474 354 W N -1.255 119.981 121.300 -0.107 0.000 2.358 354 W HA -0.231 4.430 4.660 0.002 0.000 0.303 354 W C 2.499 178.957 176.519 -0.102 0.000 1.208 354 W CA 1.217 58.428 57.345 -0.222 0.000 1.274 354 W CB -0.890 28.587 29.460 0.029 0.000 1.138 354 W HN 0.167 nan 8.180 nan 0.000 0.515 355 Y N 0.952 121.351 120.300 0.164 0.000 2.181 355 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 355 Y C 2.341 178.267 175.900 0.043 0.000 1.146 355 Y CA 2.149 60.307 58.100 0.097 0.000 1.164 355 Y CB -0.856 37.655 38.460 0.085 0.000 0.982 355 Y HN -0.082 nan 8.280 nan 0.000 0.515 356 A N -0.843 122.037 122.820 0.100 0.000 1.877 356 A HA -0.162 4.158 4.320 0.001 0.000 0.216 356 A C 2.290 179.821 177.584 -0.088 0.000 1.186 356 A CA 2.144 54.185 52.037 0.007 0.000 0.620 356 A CB -1.274 17.754 19.000 0.047 0.000 0.822 356 A HN 0.309 nan 8.150 nan 0.000 0.443 357 V N -0.051 119.758 119.914 -0.174 0.000 2.548 357 V HA -0.180 3.940 4.120 0.001 0.000 0.249 357 V C 2.566 178.653 176.094 -0.011 0.000 1.055 357 V CA 1.941 64.170 62.300 -0.117 0.000 1.065 357 V CB -0.852 30.813 31.823 -0.263 0.000 0.681 357 V HN 0.660 nan 8.190 nan 0.000 0.462 358 R N 0.304 120.794 120.500 -0.016 0.000 2.073 358 R HA -0.180 4.161 4.340 0.001 0.000 0.234 358 R C 2.353 178.609 176.300 -0.073 0.000 1.134 358 R CA 2.247 58.344 56.100 -0.005 0.000 0.952 358 R CB -0.534 29.739 30.300 -0.044 0.000 0.850 358 R HN 0.504 nan 8.270 nan 0.000 0.433 359 T N 0.758 115.205 114.554 -0.177 0.000 2.708 359 T HA -0.129 4.222 4.350 0.001 0.000 0.266 359 T C 1.844 176.504 174.700 -0.067 0.000 1.037 359 T CA 1.436 63.441 62.100 -0.158 0.000 1.146 359 T CB -0.364 68.378 68.868 -0.209 0.000 0.865 359 T HN 0.487 nan 8.240 nan 0.000 0.435 360 A N 0.998 123.792 122.820 -0.044 0.000 1.883 360 A HA -0.073 4.248 4.320 0.001 0.000 0.217 360 A C 2.611 180.198 177.584 0.004 0.000 1.186 360 A CA 1.571 53.601 52.037 -0.012 0.000 0.624 360 A CB -1.090 17.910 19.000 -0.000 0.000 0.822 360 A HN 0.352 nan 8.150 nan 0.000 0.444 361 V N 0.199 120.128 119.914 0.025 0.000 2.295 361 V HA -0.267 3.854 4.120 0.001 0.000 0.246 361 V C 2.441 178.549 176.094 0.024 0.000 1.049 361 V CA 2.025 64.353 62.300 0.046 0.000 1.024 361 V CB -0.688 31.197 31.823 0.103 0.000 0.648 361 V HN 0.565 nan 8.190 nan 0.000 0.447 362 I N 0.418 120.995 120.570 0.011 0.000 2.179 362 I HA -0.229 3.942 4.170 0.001 0.000 0.242 362 I C 2.401 178.511 176.117 -0.012 0.000 1.088 362 I CA 1.556 62.854 61.300 -0.003 0.000 1.357 362 I CB -0.517 37.474 38.000 -0.015 0.000 1.051 362 I HN 0.360 nan 8.210 nan 0.000 0.409 363 N N 1.112 119.803 118.700 -0.015 0.000 2.120 363 N HA -0.120 4.621 4.740 0.001 0.000 0.188 363 N C 1.861 177.365 175.510 -0.010 0.000 1.024 363 N CA 1.656 54.698 53.050 -0.014 0.000 0.852 363 N CB -0.423 38.055 38.487 -0.014 0.000 1.003 363 N HN 0.353 nan 8.380 nan 0.000 0.424 364 A N 0.858 123.674 122.820 -0.007 0.000 1.898 364 A HA 0.101 4.422 4.320 0.001 0.000 0.216 364 A C 2.335 179.911 177.584 -0.013 0.000 1.181 364 A CA 1.775 53.808 52.037 -0.008 0.000 0.620 364 A CB -0.869 18.129 19.000 -0.005 0.000 0.819 364 A HN 0.295 nan 8.150 nan 0.000 0.442 365 A N 0.360 123.173 122.820 -0.012 0.000 1.940 365 A HA -0.103 4.218 4.320 0.001 0.000 0.219 365 A C 2.359 179.927 177.584 -0.026 0.000 1.176 365 A CA 2.301 54.326 52.037 -0.020 0.000 0.631 365 A CB -0.816 18.173 19.000 -0.019 0.000 0.814 365 A HN 1.012 nan 8.150 nan 0.000 0.446 366 S N -2.221 113.466 115.700 -0.022 0.000 2.593 366 S HA 0.385 4.856 4.470 0.001 0.000 0.217 366 S C 1.386 175.974 174.600 -0.020 0.000 0.966 366 S CA 0.990 59.176 58.200 -0.023 0.000 0.914 366 S CB -0.195 62.993 63.200 -0.020 0.000 0.776 366 S HN 1.921 nan 8.310 nan 0.000 0.523 367 G N 2.120 110.909 108.800 -0.018 0.000 2.148 367 G HA2 -0.303 3.658 3.960 0.001 0.000 0.254 367 G HA3 -0.303 3.658 3.960 0.001 0.000 0.254 367 G C 0.821 175.714 174.900 -0.011 0.000 0.981 367 G CA 0.335 45.425 45.100 -0.016 0.000 0.670 367 G HN 0.562 nan 8.290 nan 0.000 0.528 368 R N -0.571 119.923 120.500 -0.010 0.000 2.275 368 R HA 0.185 4.526 4.340 0.001 0.000 0.199 368 R C 0.997 177.294 176.300 -0.005 0.000 0.989 368 R CA 0.760 56.855 56.100 -0.007 0.000 1.016 368 R CB 0.272 30.567 30.300 -0.008 0.000 0.918 368 R HN 0.539 nan 8.270 nan 0.000 0.473 369 Q N 0.004 119.800 119.800 -0.005 0.000 2.391 369 Q HA 0.153 4.493 4.340 0.001 0.000 0.279 369 Q C -0.959 175.040 176.000 -0.003 0.000 1.028 369 Q CA -0.523 55.279 55.803 -0.002 0.000 0.836 369 Q CB 2.735 31.472 28.738 -0.002 0.000 1.414 369 Q HN 0.094 nan 8.270 nan 0.000 0.397 370 T N -2.188 112.365 114.554 -0.001 0.000 2.860 370 T HA 0.170 4.521 4.350 0.001 0.000 0.299 370 T C 1.274 175.974 174.700 -0.000 0.000 1.045 370 T CA -0.603 61.497 62.100 -0.000 0.000 1.071 370 T CB 0.729 69.598 68.868 0.002 0.000 0.985 370 T HN 0.333 nan 8.240 nan 0.000 0.537 371 V N 1.465 121.379 119.914 -0.001 0.000 2.343 371 V HA -0.147 3.974 4.120 0.001 0.000 0.247 371 V C 2.446 178.541 176.094 0.001 0.000 1.051 371 V CA 2.089 64.388 62.300 -0.001 0.000 1.036 371 V CB -0.767 31.055 31.823 -0.001 0.000 0.654 371 V HN 0.880 nan 8.190 nan 0.000 0.451 372 D N -0.209 120.193 120.400 0.003 0.000 2.117 372 D HA -0.164 4.476 4.640 0.001 0.000 0.197 372 D C 2.214 178.517 176.300 0.006 0.000 0.987 372 D CA 1.341 55.344 54.000 0.005 0.000 0.829 372 D CB -0.145 40.659 40.800 0.007 0.000 0.961 372 D HN 0.560 nan 8.370 nan 0.000 0.460 373 E N 0.395 120.599 120.200 0.006 0.000 2.112 373 E HA -0.001 4.350 4.350 0.001 0.000 0.190 373 E C 2.105 178.711 176.600 0.008 0.000 0.979 373 E CA 0.680 57.085 56.400 0.008 0.000 0.814 373 E CB 0.036 29.741 29.700 0.008 0.000 0.762 373 E HN 0.168 nan 8.360 nan 0.000 0.460 374 A N 1.221 124.044 122.820 0.005 0.000 1.877 374 A HA -0.156 4.164 4.320 0.001 0.000 0.216 374 A C 2.154 179.742 177.584 0.007 0.000 1.186 374 A CA 1.084 53.124 52.037 0.004 0.000 0.620 374 A CB -0.581 18.420 19.000 0.001 0.000 0.822 374 A HN 0.135 nan 8.150 nan 0.000 0.443 375 L N -1.121 120.105 121.223 0.006 0.000 2.156 375 L HA -0.119 4.222 4.340 0.001 0.000 0.208 375 L C 2.557 179.431 176.870 0.008 0.000 1.095 375 L CA 1.513 56.357 54.840 0.006 0.000 0.770 375 L CB -0.342 41.716 42.059 -0.001 0.000 0.914 375 L HN 0.331 nan 8.230 nan 0.000 0.439 376 K N 0.682 121.087 120.400 0.009 0.000 2.057 376 K HA -0.183 4.138 4.320 0.001 0.000 0.207 376 K C 1.575 178.187 176.600 0.021 0.000 1.049 376 K CA 1.660 57.954 56.287 0.013 0.000 0.931 376 K CB -0.228 32.280 32.500 0.013 0.000 0.714 376 K HN 0.164 nan 8.250 nan 0.000 0.440 377 D N -0.035 120.378 120.400 0.022 0.000 2.117 377 D HA -0.085 4.556 4.640 0.001 0.000 0.198 377 D C 1.730 178.052 176.300 0.037 0.000 0.982 377 D CA 1.507 55.525 54.000 0.030 0.000 0.828 377 D CB -0.367 40.450 40.800 0.028 0.000 0.967 377 D HN 0.329 nan 8.370 nan 0.000 0.464 378 A N 0.715 123.551 122.820 0.027 0.000 1.933 378 A HA -0.227 4.094 4.320 0.001 0.000 0.218 378 A C 2.124 179.731 177.584 0.040 0.000 1.175 378 A CA 1.613 53.666 52.037 0.027 0.000 0.628 378 A CB -0.655 18.349 19.000 0.007 0.000 0.814 378 A HN 0.233 nan 8.150 nan 0.000 0.444 379 Q N -0.291 119.527 119.800 0.029 0.000 2.084 379 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 379 Q C 0.625 176.656 176.000 0.052 0.000 0.978 379 Q CA 1.541 57.359 55.803 0.025 0.000 0.844 379 Q CB -0.247 28.496 28.738 0.009 0.000 0.898 379 Q HN 0.576 nan 8.270 nan 0.000 0.426 380 T N 0.000 114.587 114.554 0.054 0.000 3.816 380 T HA 0.000 4.351 4.350 0.001 0.000 0.228 380 T CA 0.000 62.140 62.100 0.066 0.000 1.349 380 T CB 0.000 68.901 68.868 0.054 0.000 0.612 380 T HN 0.000 nan 8.240 nan 0.000 0.658