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 1wyv_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.158 176.300 -0.236 0.000 1.140 1 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 1 M CB 0.000 32.491 32.600 -0.182 0.000 1.302 2 D N -0.753 119.455 120.400 -0.319 0.000 2.677 2 D HA 0.447 5.087 4.640 0.000 0.000 0.298 2 D C -1.070 174.904 176.300 -0.543 0.000 1.250 2 D CA -0.258 53.505 54.000 -0.396 0.000 0.888 2 D CB 1.112 41.834 40.800 -0.130 0.000 1.397 2 D HN 0.604 nan 8.370 nan 0.000 0.461 3 Y N -0.571 119.745 120.300 0.026 0.000 2.531 3 Y HA 0.259 4.809 4.550 0.000 0.000 0.249 3 Y C 1.099 177.032 175.900 0.055 0.000 1.168 3 Y CA -0.431 57.690 58.100 0.034 0.000 1.226 3 Y CB 0.813 39.289 38.460 0.028 0.000 1.177 3 Y HN 0.198 nan 8.280 nan 0.000 0.527 4 T N 4.197 118.840 114.554 0.148 0.000 2.870 4 T HA 0.066 4.416 4.350 0.000 0.000 0.300 4 T C -1.024 173.787 174.700 0.185 0.000 0.989 4 T CA -1.012 61.204 62.100 0.193 0.000 1.139 4 T CB 0.881 69.836 68.868 0.146 0.000 0.920 4 T HN 0.207 nan 8.240 nan 0.000 0.537 5 P HA 0.032 nan 4.420 nan 0.000 0.226 5 P C -0.139 177.183 177.300 0.036 0.000 1.161 5 P CA 0.292 63.423 63.100 0.052 0.000 0.804 5 P CB 0.039 31.708 31.700 -0.052 0.000 0.829 6 H N 1.625 120.707 119.070 0.020 0.000 3.167 6 H HA 0.117 4.673 4.556 0.000 0.000 0.306 6 H C 1.115 176.450 175.328 0.011 0.000 0.965 6 H CA 0.643 56.700 56.048 0.015 0.000 1.408 6 H CB -0.435 29.337 29.762 0.016 0.000 1.406 6 H HN 0.157 nan 8.280 nan 0.000 0.576 7 T N -0.085 114.529 114.554 0.100 0.000 2.927 7 T HA 0.137 4.487 4.350 0.000 0.000 0.281 7 T C 1.281 176.022 174.700 0.067 0.000 0.998 7 T CA -1.062 61.075 62.100 0.062 0.000 1.019 7 T CB 1.634 70.520 68.868 0.030 0.000 1.061 7 T HN 0.517 nan 8.240 nan 0.000 0.518 8 E N 0.424 120.651 120.200 0.045 0.000 2.085 8 E HA -0.167 4.183 4.350 0.000 0.000 0.194 8 E C 1.885 178.506 176.600 0.034 0.000 0.994 8 E CA 1.441 57.864 56.400 0.038 0.000 0.801 8 E CB -0.245 29.470 29.700 0.025 0.000 0.743 8 E HN 0.957 nan 8.360 nan 0.000 0.453 9 E N 0.548 120.765 120.200 0.028 0.000 2.153 9 E HA -0.196 4.154 4.350 0.000 0.000 0.194 9 E C 1.615 178.232 176.600 0.028 0.000 0.988 9 E CA 1.080 57.494 56.400 0.023 0.000 0.811 9 E CB 0.088 29.797 29.700 0.016 0.000 0.746 9 E HN 0.305 nan 8.360 nan 0.000 0.466 10 E N 0.231 120.454 120.200 0.038 0.000 2.107 10 E HA -0.119 4.231 4.350 0.000 0.000 0.191 10 E C 2.191 178.834 176.600 0.072 0.000 0.982 10 E CA 0.902 57.330 56.400 0.047 0.000 0.809 10 E CB -0.002 29.723 29.700 0.042 0.000 0.756 10 E HN 0.379 nan 8.360 nan 0.000 0.459 11 I N 0.911 121.531 120.570 0.082 0.000 2.315 11 I HA -0.240 3.930 4.170 0.000 0.000 0.248 11 I C 2.494 178.633 176.117 0.037 0.000 1.117 11 I CA 0.945 62.286 61.300 0.068 0.000 1.404 11 I CB -0.175 37.854 38.000 0.048 0.000 1.071 11 I HN 0.029 nan 8.210 nan 0.000 0.419 12 R N 0.465 120.983 120.500 0.030 0.000 2.073 12 R HA -0.214 4.126 4.340 0.000 0.000 0.234 12 R C 2.249 178.559 176.300 0.016 0.000 1.134 12 R CA 1.659 57.770 56.100 0.018 0.000 0.952 12 R CB -0.355 29.955 30.300 0.016 0.000 0.850 12 R HN 0.430 nan 8.270 nan 0.000 0.433 13 E N 0.713 120.924 120.200 0.019 0.000 2.051 13 E HA -0.192 4.158 4.350 0.000 0.000 0.192 13 E C 2.021 178.630 176.600 0.014 0.000 0.991 13 E CA 1.222 57.631 56.400 0.014 0.000 0.799 13 E CB 0.052 29.760 29.700 0.014 0.000 0.748 13 E HN 0.252 nan 8.360 nan 0.000 0.449 14 M N 0.044 119.659 119.600 0.025 0.000 2.159 14 M HA -0.161 4.319 4.480 0.000 0.000 0.263 14 M C 2.236 178.540 176.300 0.008 0.000 1.063 14 M CA 0.736 56.051 55.300 0.024 0.000 1.110 14 M CB -0.136 32.495 32.600 0.052 0.000 1.374 14 M HN 0.178 nan 8.290 nan 0.000 0.411 15 L N 0.375 121.602 121.223 0.006 0.000 1.994 15 L HA -0.168 4.172 4.340 0.000 0.000 0.208 15 L C 2.501 179.366 176.870 -0.009 0.000 1.071 15 L CA 1.938 56.775 54.840 -0.005 0.000 0.745 15 L CB -0.852 41.207 42.059 -0.001 0.000 0.892 15 L HN 0.209 nan 8.230 nan 0.000 0.431 16 R N -1.332 119.167 120.500 -0.003 0.000 2.081 16 R HA -0.194 4.146 4.340 0.000 0.000 0.235 16 R C 2.327 178.622 176.300 -0.008 0.000 1.131 16 R CA 1.218 57.315 56.100 -0.005 0.000 0.960 16 R CB -0.200 30.099 30.300 -0.001 0.000 0.856 16 R HN 0.119 nan 8.270 nan 0.000 0.436 17 R N 0.625 121.121 120.500 -0.006 0.000 2.120 17 R HA -0.094 4.246 4.340 0.000 0.000 0.234 17 R C 1.799 178.089 176.300 -0.016 0.000 1.123 17 R CA 1.512 57.607 56.100 -0.009 0.000 0.975 17 R CB -0.224 30.074 30.300 -0.004 0.000 0.866 17 R HN 0.275 nan 8.270 nan 0.000 0.446 18 V N -2.980 116.922 119.914 -0.021 0.000 3.596 18 V HA 0.409 4.529 4.120 0.000 0.000 0.289 18 V C 0.930 177.000 176.094 -0.040 0.000 1.336 18 V CA 0.362 62.642 62.300 -0.033 0.000 1.137 18 V CB -0.267 31.531 31.823 -0.041 0.000 0.966 18 V HN 0.367 nan 8.190 nan 0.000 0.428 19 G N 0.032 108.814 108.800 -0.030 0.000 2.198 19 G HA2 0.006 3.966 3.960 0.000 0.000 0.257 19 G HA3 0.006 3.966 3.960 0.000 0.000 0.257 19 G C 0.177 175.056 174.900 -0.035 0.000 1.042 19 G CA 0.344 45.425 45.100 -0.031 0.000 0.791 19 G HN 1.700 nan 8.290 nan 0.000 0.502 20 A N -0.935 121.865 122.820 -0.032 0.000 2.325 20 A HA 0.972 5.292 4.320 0.000 0.000 0.333 20 A C 1.097 178.672 177.584 -0.015 0.000 1.155 20 A CA 0.427 52.445 52.037 -0.031 0.000 0.814 20 A CB 1.487 20.461 19.000 -0.044 0.000 1.206 20 A HN 1.635 nan 8.150 nan 0.000 0.482 21 A N 0.933 123.749 122.820 -0.007 0.000 2.030 21 A HA 0.480 4.800 4.320 0.000 0.000 0.215 21 A C 1.061 178.649 177.584 0.007 0.000 1.164 21 A CA 1.452 53.490 52.037 0.002 0.000 0.697 21 A CB -0.359 18.645 19.000 0.006 0.000 0.827 21 A HN 2.028 nan 8.150 nan 0.000 0.457 22 S N -3.032 112.674 115.700 0.010 0.000 2.655 22 S HA 0.456 4.926 4.470 0.000 0.000 0.266 22 S C 0.174 174.789 174.600 0.025 0.000 1.149 22 S CA -0.478 57.733 58.200 0.018 0.000 0.818 22 S CB -0.073 63.144 63.200 0.027 0.000 1.130 22 S HN -0.058 nan 8.310 nan 0.000 0.476 23 L N 1.081 122.327 121.223 0.039 0.000 2.027 23 L HA 0.034 4.374 4.340 0.000 0.000 0.206 23 L C 2.470 179.424 176.870 0.140 0.000 1.074 23 L CA 2.091 56.969 54.840 0.064 0.000 0.745 23 L CB -2.104 39.998 42.059 0.072 0.000 0.898 23 L HN 0.796 nan 8.230 nan 0.000 0.433 24 E N -0.029 120.253 120.200 0.136 0.000 2.118 24 E HA -0.250 4.100 4.350 0.000 0.000 0.195 24 E C 1.824 178.535 176.600 0.186 0.000 0.992 24 E CA 1.280 57.788 56.400 0.181 0.000 0.804 24 E CB -0.376 29.382 29.700 0.097 0.000 0.741 24 E HN 0.447 nan 8.360 nan 0.000 0.458 25 D N -0.291 120.169 120.400 0.099 0.000 2.263 25 D HA -0.089 4.551 4.640 0.000 0.000 0.208 25 D C 1.477 177.801 176.300 0.041 0.000 0.971 25 D CA 0.502 54.543 54.000 0.069 0.000 0.867 25 D CB -0.007 40.811 40.800 0.030 0.000 0.929 25 D HN 0.135 nan 8.370 nan 0.000 0.492 26 L N -0.802 120.404 121.223 -0.029 0.000 2.265 26 L HA -0.099 4.241 4.340 0.000 0.000 0.215 26 L C 0.963 177.659 176.870 -0.291 0.000 1.117 26 L CA 0.632 55.332 54.840 -0.232 0.000 0.782 26 L CB -0.202 41.596 42.059 -0.435 0.000 0.914 26 L HN 0.123 nan 8.230 nan 0.000 0.441 27 F N -1.552 118.464 119.950 0.110 0.000 2.639 27 F HA 0.273 4.800 4.527 0.000 0.000 0.302 27 F C 2.001 177.839 175.800 0.065 0.000 1.097 27 F CA 0.144 58.190 58.000 0.076 0.000 1.294 27 F CB -0.366 38.635 39.000 0.000 0.000 1.027 27 F HN -0.106 nan 8.300 nan 0.000 0.550 28 A N 0.258 123.230 122.820 0.255 0.000 2.019 28 A HA -0.217 4.103 4.320 0.000 0.000 0.219 28 A C 1.951 179.640 177.584 0.176 0.000 1.164 28 A CA 1.843 53.985 52.037 0.175 0.000 0.644 28 A CB -1.036 18.038 19.000 0.123 0.000 0.805 28 A HN 0.571 nan 8.150 nan 0.000 0.449 29 H N -0.741 118.353 119.070 0.040 0.000 2.543 29 H HA 0.321 4.877 4.556 0.000 0.000 0.269 29 H C 0.202 175.555 175.328 0.043 0.000 1.005 29 H CA -0.217 55.848 56.048 0.028 0.000 1.146 29 H CB -0.887 28.881 29.762 0.008 0.000 1.353 29 H HN 0.351 nan 8.280 nan 0.000 0.595 30 L N 2.878 123.978 121.223 -0.204 0.000 2.357 30 L HA 0.300 4.640 4.340 0.000 0.000 0.273 30 L C -1.922 174.917 176.870 -0.052 0.000 1.080 30 L CA -2.156 52.584 54.840 -0.168 0.000 0.803 30 L CB 1.047 43.031 42.059 -0.125 0.000 1.174 30 L HN -0.014 nan 8.230 nan 0.000 0.443 31 P HA -0.024 nan 4.420 nan 0.000 0.257 31 P C -0.177 177.114 177.300 -0.015 0.000 1.189 31 P CA -0.089 63.000 63.100 -0.018 0.000 0.780 31 P CB 0.452 32.141 31.700 -0.018 0.000 0.772 32 K N 3.435 123.832 120.400 -0.005 0.000 2.148 32 K HA -0.256 4.064 4.320 0.000 0.000 0.213 32 K C 1.816 178.410 176.600 -0.011 0.000 1.050 32 K CA 2.146 58.432 56.287 -0.003 0.000 0.932 32 K CB -0.664 31.838 32.500 0.002 0.000 0.717 32 K HN 0.585 nan 8.250 nan 0.000 0.462 33 E N 1.110 121.303 120.200 -0.013 0.000 2.204 33 E HA -0.162 4.188 4.350 0.000 0.000 0.194 33 E C 1.867 178.453 176.600 -0.023 0.000 0.989 33 E CA 1.469 57.860 56.400 -0.016 0.000 0.824 33 E CB -0.448 29.244 29.700 -0.013 0.000 0.756 33 E HN 0.705 nan 8.360 nan 0.000 0.477 34 I N -1.476 119.077 120.570 -0.028 0.000 3.684 34 I HA 0.184 4.354 4.170 0.000 0.000 0.304 34 I C 0.879 176.965 176.117 -0.052 0.000 1.278 34 I CA -0.260 61.018 61.300 -0.038 0.000 1.272 34 I CB -0.050 37.926 38.000 -0.039 0.000 1.029 34 I HN -0.148 nan 8.210 nan 0.000 0.458 35 L N 1.135 122.329 121.223 -0.048 0.000 2.456 35 L HA 0.285 4.625 4.340 0.000 0.000 0.257 35 L C 1.011 177.845 176.870 -0.059 0.000 1.162 35 L CA -0.391 54.411 54.840 -0.063 0.000 0.808 35 L CB 0.932 42.967 42.059 -0.041 0.000 1.136 35 L HN 0.232 nan 8.230 nan 0.000 0.466 36 S N -0.229 115.427 115.700 -0.074 0.000 3.682 36 S HA -0.093 4.377 4.470 0.000 0.000 0.354 36 S C -1.921 172.645 174.600 -0.056 0.000 1.034 36 S CA -0.208 57.955 58.200 -0.061 0.000 1.084 36 S CB -1.852 61.324 63.200 -0.040 0.000 0.903 36 S HN 0.582 nan 8.310 nan 0.000 0.470 37 P HA 0.227 nan 4.420 nan 0.000 0.269 37 P C -2.410 174.862 177.300 -0.048 0.000 1.209 37 P CA -0.955 62.112 63.100 -0.055 0.000 0.776 37 P CB -0.035 31.627 31.700 -0.063 0.000 0.876 38 P HA 0.293 nan 4.420 nan 0.000 0.238 38 P C -0.193 177.087 177.300 -0.033 0.000 1.794 38 P CA -0.010 63.071 63.100 -0.033 0.000 1.088 38 P CB -0.172 31.512 31.700 -0.026 0.000 1.923 39 I N 1.953 122.500 120.570 -0.038 0.000 2.371 39 I HA 0.150 4.320 4.170 0.000 0.000 0.290 39 I C 0.468 176.566 176.117 -0.031 0.000 1.028 39 I CA -0.183 61.095 61.300 -0.036 0.000 1.345 39 I CB 0.801 38.776 38.000 -0.043 0.000 1.407 39 I HN 0.116 nan 8.210 nan 0.000 0.501 40 D N 7.553 127.937 120.400 -0.027 0.000 2.460 40 D HA 0.474 5.114 4.640 0.000 0.000 0.232 40 D C -1.199 175.086 176.300 -0.024 0.000 1.079 40 D CA -0.264 53.722 54.000 -0.024 0.000 0.864 40 D CB 0.726 41.513 40.800 -0.021 0.000 1.048 40 D HN 0.084 nan 8.370 nan 0.000 0.523 41 L N 4.484 125.691 121.223 -0.026 0.000 2.370 41 L HA 0.599 4.939 4.340 0.000 0.000 0.266 41 L C -1.866 174.987 176.870 -0.028 0.000 1.002 41 L CA -2.076 52.749 54.840 -0.026 0.000 0.818 41 L CB 1.333 43.376 42.059 -0.027 0.000 1.325 41 L HN 0.407 nan 8.230 nan 0.000 0.418 42 P HA 0.144 nan 4.420 nan 0.000 0.269 42 P C -0.539 176.738 177.300 -0.038 0.000 1.215 42 P CA -0.522 62.558 63.100 -0.032 0.000 0.780 42 P CB 0.635 32.315 31.700 -0.034 0.000 0.898 43 E N 2.454 122.630 120.200 -0.040 0.000 2.442 43 E HA 0.055 4.405 4.350 0.000 0.000 0.262 43 E C -1.621 174.944 176.600 -0.058 0.000 1.004 43 E CA -0.980 55.394 56.400 -0.044 0.000 0.928 43 E CB -0.597 29.079 29.700 -0.041 0.000 0.937 43 E HN 0.427 nan 8.360 nan 0.000 0.446 44 P HA 0.057 nan 4.420 nan 0.000 0.267 44 P C -0.446 176.791 177.300 -0.105 0.000 1.200 44 P CA 0.351 63.405 63.100 -0.076 0.000 0.772 44 P CB 0.584 32.242 31.700 -0.069 0.000 0.855 45 L N 3.588 124.728 121.223 -0.138 0.000 2.370 45 L HA 0.497 4.837 4.340 0.000 0.000 0.266 45 L C -2.138 174.575 176.870 -0.263 0.000 1.002 45 L CA -2.514 52.196 54.840 -0.216 0.000 0.818 45 L CB 2.407 44.320 42.059 -0.242 0.000 1.325 45 L HN 0.267 nan 8.230 nan 0.000 0.418 46 P HA 0.047 nan 4.420 nan 0.000 0.272 46 P C 0.069 177.111 177.300 -0.429 0.000 1.230 46 P CA -0.365 62.516 63.100 -0.365 0.000 0.788 46 P CB 0.698 32.169 31.700 -0.381 0.000 0.949 47 E N 2.032 122.114 120.200 -0.196 0.000 2.085 47 E HA -0.198 4.152 4.350 0.000 0.000 0.194 47 E C 1.710 178.269 176.600 -0.069 0.000 0.994 47 E CA 1.231 57.581 56.400 -0.083 0.000 0.801 47 E CB -0.870 28.858 29.700 0.047 0.000 0.743 47 E HN 0.635 nan 8.360 nan 0.000 0.453 48 W N 1.742 123.048 121.300 0.010 0.000 2.392 48 W HA 0.023 4.683 4.660 0.000 0.000 0.279 48 W C 1.632 178.154 176.519 0.006 0.000 1.225 48 W CA 0.909 58.259 57.345 0.008 0.000 1.233 48 W CB -0.518 28.945 29.460 0.005 0.000 1.122 48 W HN 0.022 nan 8.180 nan 0.000 0.561 49 K N 1.563 121.432 120.400 -0.885 0.000 2.167 49 K HA -0.028 4.292 4.320 0.000 0.000 0.203 49 K C 1.977 178.394 176.600 -0.305 0.000 1.052 49 K CA 1.488 57.323 56.287 -0.753 0.000 0.956 49 K CB -0.671 31.144 32.500 -1.142 0.000 0.735 49 K HN 0.035 nan 8.250 nan 0.000 0.451 50 V N 1.115 120.876 119.914 -0.255 0.000 2.407 50 V HA -0.208 3.913 4.120 0.000 0.000 0.248 50 V C 2.207 178.267 176.094 -0.056 0.000 1.055 50 V CA 1.562 63.786 62.300 -0.127 0.000 1.049 50 V CB -0.389 31.381 31.823 -0.089 0.000 0.662 50 V HN 0.263 nan 8.190 nan 0.000 0.455 51 L N -0.220 120.990 121.223 -0.021 0.000 2.093 51 L HA -0.190 4.150 4.340 0.000 0.000 0.208 51 L C 2.573 179.464 176.870 0.034 0.000 1.085 51 L CA 1.825 56.680 54.840 0.026 0.000 0.755 51 L CB -0.502 41.598 42.059 0.070 0.000 0.904 51 L HN 0.434 nan 8.230 nan 0.000 0.435 52 E N 0.063 120.291 120.200 0.047 0.000 2.077 52 E HA -0.234 4.116 4.350 0.000 0.000 0.193 52 E C 2.020 178.632 176.600 0.021 0.000 0.989 52 E CA 1.099 57.536 56.400 0.063 0.000 0.800 52 E CB 0.232 29.997 29.700 0.108 0.000 0.746 52 E HN 0.350 nan 8.360 nan 0.000 0.452 53 E N 0.347 120.540 120.200 -0.012 0.000 2.072 53 E HA -0.153 4.197 4.350 0.000 0.000 0.191 53 E C 2.140 178.731 176.600 -0.015 0.000 0.985 53 E CA 0.437 56.825 56.400 -0.020 0.000 0.801 53 E CB -0.218 29.456 29.700 -0.042 0.000 0.750 53 E HN 0.265 nan 8.360 nan 0.000 0.452 54 L N 1.127 122.342 121.223 -0.013 0.000 1.989 54 L HA -0.174 4.166 4.340 0.000 0.000 0.211 54 L C 2.366 179.232 176.870 -0.008 0.000 1.071 54 L CA 1.637 56.471 54.840 -0.011 0.000 0.749 54 L CB -1.104 40.952 42.059 -0.005 0.000 0.890 54 L HN 0.113 nan 8.230 nan 0.000 0.431 55 R N -0.891 119.611 120.500 0.004 0.000 2.127 55 R HA -0.150 4.190 4.340 0.000 0.000 0.238 55 R C 2.294 178.595 176.300 0.002 0.000 1.134 55 R CA 1.024 57.128 56.100 0.007 0.000 0.975 55 R CB -0.209 30.103 30.300 0.020 0.000 0.865 55 R HN 0.409 nan 8.270 nan 0.000 0.447 56 R N 0.376 120.877 120.500 0.002 0.000 2.075 56 R HA -0.035 4.305 4.340 0.000 0.000 0.232 56 R C 2.345 178.638 176.300 -0.011 0.000 1.126 56 R CA 1.012 57.111 56.100 -0.001 0.000 0.963 56 R CB -0.247 30.053 30.300 0.001 0.000 0.858 56 R HN 0.188 nan 8.270 nan 0.000 0.435 57 L N 0.050 121.261 121.223 -0.019 0.000 2.027 57 L HA -0.129 4.212 4.340 0.000 0.000 0.206 57 L C 2.689 179.536 176.870 -0.038 0.000 1.074 57 L CA 1.258 56.079 54.840 -0.031 0.000 0.745 57 L CB -0.634 41.402 42.059 -0.038 0.000 0.898 57 L HN 0.230 nan 8.230 nan 0.000 0.433 58 A N 0.179 122.980 122.820 -0.032 0.000 1.940 58 A HA -0.177 4.143 4.320 0.000 0.000 0.219 58 A C 2.449 180.019 177.584 -0.023 0.000 1.176 58 A CA 1.707 53.724 52.037 -0.033 0.000 0.631 58 A CB -0.682 18.305 19.000 -0.022 0.000 0.814 58 A HN 0.415 nan 8.150 nan 0.000 0.446 59 A N -1.037 121.775 122.820 -0.014 0.000 2.172 59 A HA -0.117 4.203 4.320 0.000 0.000 0.216 59 A C 1.961 179.540 177.584 -0.009 0.000 1.154 59 A CA 1.342 53.375 52.037 -0.007 0.000 0.701 59 A CB -0.393 18.606 19.000 -0.002 0.000 0.789 59 A HN 0.686 nan 8.150 nan 0.000 0.465 60 Q N -0.063 119.727 119.800 -0.017 0.000 2.389 60 Q HA 0.020 4.361 4.340 0.000 0.000 0.204 60 Q C -0.160 175.829 176.000 -0.017 0.000 0.944 60 Q CA 0.079 55.871 55.803 -0.017 0.000 0.908 60 Q CB 0.096 28.819 28.738 -0.025 0.000 1.002 60 Q HN 0.616 nan 8.270 nan 0.000 0.493 61 N N 0.641 119.327 118.700 -0.024 0.000 2.476 61 N HA 0.237 4.977 4.740 0.000 0.000 0.275 61 N C -0.956 174.570 175.510 0.028 0.000 1.190 61 N CA -0.249 52.792 53.050 -0.015 0.000 0.977 61 N CB 1.326 39.778 38.487 -0.058 0.000 1.200 61 N HN 0.072 nan 8.380 nan 0.000 0.515 62 L N 2.740 124.015 121.223 0.086 0.000 2.276 62 L HA 0.361 4.701 4.340 0.000 0.000 0.286 62 L C -2.080 174.940 176.870 0.249 0.000 1.024 62 L CA -1.674 53.251 54.840 0.142 0.000 0.826 62 L CB 1.166 43.298 42.059 0.123 0.000 1.211 62 L HN 0.284 nan 8.230 nan 0.000 0.422 63 P HA -0.041 nan 4.420 nan 0.000 0.264 63 P C -0.110 177.279 177.300 0.149 0.000 1.183 63 P CA -0.033 63.134 63.100 0.111 0.000 0.763 63 P CB 1.059 32.807 31.700 0.080 0.000 0.807 64 A N 2.118 124.926 122.820 -0.020 0.000 2.278 64 A HA -0.001 4.319 4.320 0.000 0.000 0.212 64 A C 0.883 178.463 177.584 -0.007 0.000 1.213 64 A CA 0.103 52.041 52.037 -0.165 0.000 0.840 64 A CB -1.166 17.658 19.000 -0.293 0.000 0.866 64 A HN 0.710 nan 8.150 nan 0.000 0.489 65 H N 1.236 120.292 119.070 -0.025 0.000 3.001 65 H HA 0.116 4.672 4.556 0.000 0.000 0.334 65 H C 0.629 175.920 175.328 -0.061 0.000 1.034 65 H CA 1.188 57.211 56.048 -0.042 0.000 1.420 65 H CB 0.174 29.924 29.762 -0.020 0.000 1.405 65 H HN 0.337 nan 8.280 nan 0.000 0.593 66 K N 0.963 120.954 120.400 -0.680 0.000 3.088 66 K HA -0.206 4.114 4.320 0.000 0.000 0.273 66 K C -0.251 176.174 176.600 -0.293 0.000 1.111 66 K CA 0.531 56.478 56.287 -0.567 0.000 0.803 66 K CB -1.566 30.685 32.500 -0.414 0.000 1.226 66 K HN 0.688 nan 8.250 nan 0.000 0.485 67 A N -0.069 122.621 122.820 -0.216 0.000 2.332 67 A HA 0.505 4.825 4.320 0.000 0.000 0.258 67 A C 0.537 178.008 177.584 -0.189 0.000 1.087 67 A CA -0.128 51.851 52.037 -0.096 0.000 0.802 67 A CB 0.057 19.040 19.000 -0.028 0.000 1.042 67 A HN 0.240 nan 8.150 nan 0.000 0.489 68 F N 0.249 120.300 119.950 0.167 0.000 2.639 68 F HA 0.266 4.794 4.527 0.000 0.000 0.302 68 F C 0.346 176.140 175.800 -0.009 0.000 1.097 68 F CA -0.040 58.011 58.000 0.085 0.000 1.294 68 F CB -0.192 38.864 39.000 0.093 0.000 1.027 68 F HN 0.269 nan 8.300 nan 0.000 0.550 69 L N -0.253 121.025 121.223 0.091 0.000 2.439 69 L HA 0.484 4.824 4.340 0.000 0.000 0.269 69 L C 1.054 177.890 176.870 -0.057 0.000 1.179 69 L CA 0.028 54.852 54.840 -0.027 0.000 0.828 69 L CB 0.428 42.478 42.059 -0.015 0.000 1.106 69 L HN 0.249 nan 8.230 nan 0.000 0.467 70 G N -0.615 108.115 108.800 -0.118 0.000 3.340 70 G HA2 0.503 4.463 3.960 0.000 0.000 0.176 70 G HA3 0.503 4.463 3.960 0.000 0.000 0.176 70 G C 0.371 175.219 174.900 -0.087 0.000 1.103 70 G CA -0.142 44.894 45.100 -0.106 0.000 0.779 70 G HN 0.932 nan 8.290 nan 0.000 0.673 71 G N -1.385 107.331 108.800 -0.139 0.000 2.182 71 G HA2 0.311 4.271 3.960 0.000 0.000 0.248 71 G HA3 0.311 4.271 3.960 0.000 0.000 0.248 71 G C 1.401 176.435 174.900 0.223 0.000 1.042 71 G CA 1.212 46.291 45.100 -0.035 0.000 0.775 71 G HN 2.467 nan 8.290 nan 0.000 0.501 72 G N -3.136 105.733 108.800 0.116 0.000 2.436 72 G HA2 0.084 4.044 3.960 0.000 0.000 0.204 72 G HA3 0.084 4.044 3.960 0.000 0.000 0.204 72 G C 0.213 175.137 174.900 0.040 0.000 1.026 72 G CA 0.303 45.467 45.100 0.106 0.000 0.658 72 G HN 1.606 nan 8.290 nan 0.000 0.499 73 V N 1.833 121.765 119.914 0.029 0.000 2.604 73 V HA 0.851 4.971 4.120 0.000 0.000 0.305 73 V C 0.084 176.175 176.094 -0.006 0.000 1.043 73 V CA -0.733 61.563 62.300 -0.006 0.000 0.888 73 V CB 1.706 33.527 31.823 -0.003 0.000 0.995 73 V HN 0.485 nan 8.190 nan 0.000 0.429 74 R N 1.606 122.103 120.500 -0.006 0.000 2.808 74 R HA 0.491 4.831 4.340 0.000 0.000 0.272 74 R C -0.601 175.606 176.300 -0.155 0.000 0.995 74 R CA -0.744 55.303 56.100 -0.089 0.000 0.917 74 R CB 1.985 32.199 30.300 -0.144 0.000 1.217 74 R HN 0.594 nan 8.270 nan 0.000 0.471 75 S N 1.788 117.343 115.700 -0.243 0.000 3.530 75 S HA 0.105 4.575 4.470 0.000 0.000 0.279 75 S C -0.382 174.020 174.600 -0.329 0.000 1.280 75 S CA -0.331 57.725 58.200 -0.240 0.000 0.946 75 S CB -0.481 62.546 63.200 -0.289 0.000 1.501 75 S HN 0.356 nan 8.310 nan 0.000 0.498 76 H N 2.183 121.214 119.070 -0.064 0.000 2.496 76 H HA 0.188 4.744 4.556 0.000 0.000 0.342 76 H C 0.117 175.475 175.328 0.049 0.000 1.170 76 H CA -0.489 55.549 56.048 -0.017 0.000 1.274 76 H CB 0.792 30.544 29.762 -0.018 0.000 1.538 76 H HN 0.655 nan 8.280 nan 0.000 0.542 77 H N 1.106 120.274 119.070 0.163 0.000 3.004 77 H HA 0.082 4.638 4.556 0.000 0.000 0.316 77 H C -0.819 174.608 175.328 0.165 0.000 1.014 77 H CA -0.027 56.109 56.048 0.147 0.000 1.454 77 H CB 0.101 29.948 29.762 0.142 0.000 1.472 77 H HN 0.126 nan 8.280 nan 0.000 0.571 78 V N 9.728 129.418 119.914 -0.373 0.000 2.304 78 V HA 0.216 4.336 4.120 0.000 0.000 0.269 78 V C -1.947 173.797 176.094 -0.582 0.000 1.036 78 V CA -1.635 60.484 62.300 -0.301 0.000 0.840 78 V CB 0.732 32.487 31.823 -0.113 0.000 1.036 78 V HN 0.848 nan 8.190 nan 0.000 0.466 79 P HA 0.151 nan 4.420 nan 0.000 0.266 79 P C -2.074 175.191 177.300 -0.059 0.000 1.215 79 P CA -1.309 61.655 63.100 -0.225 0.000 0.763 79 P CB 0.941 32.666 31.700 0.042 0.000 0.806 80 P HA -0.149 nan 4.420 nan 0.000 0.218 80 P C 1.568 178.885 177.300 0.028 0.000 1.148 80 P CA 0.672 63.784 63.100 0.020 0.000 0.822 80 P CB 0.020 31.748 31.700 0.046 0.000 0.784 81 V N 0.066 120.004 119.914 0.040 0.000 2.343 81 V HA -0.194 3.927 4.120 0.000 0.000 0.247 81 V C 2.463 178.573 176.094 0.027 0.000 1.051 81 V CA 1.757 64.078 62.300 0.035 0.000 1.036 81 V CB -0.859 30.984 31.823 0.035 0.000 0.654 81 V HN -0.095 nan 8.190 nan 0.000 0.451 82 V N 0.047 119.978 119.914 0.029 0.000 2.261 82 V HA -0.237 3.883 4.120 0.000 0.000 0.246 82 V C 2.658 178.758 176.094 0.010 0.000 1.047 82 V CA 2.221 64.536 62.300 0.024 0.000 1.015 82 V CB -0.799 31.062 31.823 0.063 0.000 0.642 82 V HN 0.532 nan 8.190 nan 0.000 0.446 83 Q N -0.202 119.604 119.800 0.011 0.000 2.170 83 Q HA -0.128 4.212 4.340 0.000 0.000 0.203 83 Q C 2.377 178.388 176.000 0.019 0.000 0.976 83 Q CA 1.809 57.617 55.803 0.009 0.000 0.858 83 Q CB -0.692 28.049 28.738 0.004 0.000 0.907 83 Q HN 0.670 nan 8.270 nan 0.000 0.433 84 A N 0.582 123.417 122.820 0.025 0.000 1.898 84 A HA -0.105 4.215 4.320 0.000 0.000 0.216 84 A C 2.228 179.842 177.584 0.051 0.000 1.181 84 A CA 0.943 53.001 52.037 0.035 0.000 0.620 84 A CB -0.579 18.441 19.000 0.035 0.000 0.819 84 A HN 0.310 nan 8.150 nan 0.000 0.442 85 L N -0.928 120.324 121.223 0.048 0.000 2.109 85 L HA -0.106 4.234 4.340 0.000 0.000 0.207 85 L C 2.891 179.817 176.870 0.093 0.000 1.086 85 L CA 0.960 55.846 54.840 0.077 0.000 0.760 85 L CB -0.399 41.683 42.059 0.039 0.000 0.910 85 L HN 0.402 nan 8.230 nan 0.000 0.437 86 A N -0.276 122.551 122.820 0.011 0.000 2.168 86 A HA 0.107 4.427 4.320 0.000 0.000 0.215 86 A C 2.271 179.895 177.584 0.067 0.000 1.152 86 A CA 1.134 53.160 52.037 -0.018 0.000 0.716 86 A CB -0.405 18.555 19.000 -0.066 0.000 0.794 86 A HN 0.361 nan 8.150 nan 0.000 0.465 87 A N -0.491 122.374 122.820 0.075 0.000 2.218 87 A HA 0.156 4.476 4.320 0.000 0.000 0.209 87 A C 1.066 178.703 177.584 0.090 0.000 1.168 87 A CA -0.335 51.743 52.037 0.068 0.000 0.804 87 A CB -0.101 18.927 19.000 0.045 0.000 0.834 87 A HN 0.321 nan 8.150 nan 0.000 0.482 88 R N 0.050 120.637 120.500 0.145 0.000 2.538 88 R HA 0.032 4.372 4.340 0.000 0.000 0.282 88 R C 1.471 177.815 176.300 0.073 0.000 1.009 88 R CA 0.570 56.737 56.100 0.112 0.000 1.063 88 R CB 0.018 30.411 30.300 0.156 0.000 0.945 88 R HN 0.294 nan 8.270 nan 0.000 0.414 89 G N 2.815 111.623 108.800 0.013 0.000 2.450 89 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 89 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 89 G C 1.026 175.907 174.900 -0.032 0.000 1.130 89 G CA 0.521 45.619 45.100 -0.003 0.000 0.760 89 G HN 0.557 nan 8.290 nan 0.000 0.557 90 E N 0.084 120.215 120.200 -0.114 0.000 2.077 90 E HA -0.029 4.321 4.350 0.000 0.000 0.193 90 E C 2.036 178.539 176.600 -0.161 0.000 0.989 90 E CA 0.871 57.151 56.400 -0.200 0.000 0.800 90 E CB -0.295 29.184 29.700 -0.368 0.000 0.746 90 E HN 0.490 nan 8.360 nan 0.000 0.452 91 F N -0.173 119.764 119.950 -0.021 0.000 2.187 91 F HA 0.009 4.536 4.527 0.000 0.000 0.295 91 F C 2.029 177.809 175.800 -0.033 0.000 1.091 91 F CA 0.363 58.343 58.000 -0.034 0.000 1.308 91 F CB -0.615 38.362 39.000 -0.039 0.000 1.030 91 F HN 0.029 nan 8.300 nan 0.000 0.487 92 L N 0.081 121.405 121.223 0.169 0.000 2.056 92 L HA -0.138 4.202 4.340 0.000 0.000 0.207 92 L C 2.290 179.192 176.870 0.052 0.000 1.078 92 L CA 2.336 57.227 54.840 0.086 0.000 0.749 92 L CB -1.022 41.074 42.059 0.062 0.000 0.901 92 L HN 0.300 nan 8.230 nan 0.000 0.433 93 T N -2.999 111.578 114.554 0.038 0.000 3.105 93 T HA 0.515 4.865 4.350 0.000 0.000 0.253 93 T C 0.700 175.427 174.700 0.044 0.000 1.047 93 T CA 0.060 62.178 62.100 0.030 0.000 0.944 93 T CB -0.369 68.504 68.868 0.009 0.000 1.016 93 T HN 0.322 nan 8.240 nan 0.000 0.544 94 A N 0.980 123.829 122.820 0.047 0.000 2.332 94 A HA 0.612 4.932 4.320 0.000 0.000 0.258 94 A C -0.382 177.265 177.584 0.104 0.000 1.087 94 A CA -0.682 51.389 52.037 0.058 0.000 0.802 94 A CB 0.277 19.292 19.000 0.026 0.000 1.042 94 A HN 0.512 nan 8.150 nan 0.000 0.489 95 Y N 0.287 120.572 120.300 -0.025 0.000 2.593 95 Y HA 0.453 5.003 4.550 0.000 0.000 0.330 95 Y C 0.881 176.725 175.900 -0.093 0.000 1.223 95 Y CA -0.442 57.637 58.100 -0.034 0.000 1.350 95 Y CB 0.650 39.106 38.460 -0.006 0.000 1.499 95 Y HN 0.660 nan 8.280 nan 0.000 0.554 96 T N 5.864 119.676 114.554 -1.237 0.000 2.866 96 T HA 0.069 4.419 4.350 0.000 0.000 0.293 96 T C -2.451 171.812 174.700 -0.728 0.000 1.005 96 T CA -0.526 60.962 62.100 -1.021 0.000 1.162 96 T CB -0.086 67.947 68.868 -1.391 0.000 0.968 96 T HN 0.364 nan 8.240 nan 0.000 0.530 97 P HA 0.033 nan 4.420 nan 0.000 0.245 97 P C -0.247 176.926 177.300 -0.212 0.000 1.670 97 P CA 0.016 62.972 63.100 -0.239 0.000 1.146 97 P CB -0.136 31.482 31.700 -0.136 0.000 1.954 98 Y N -0.005 120.303 120.300 0.013 0.000 2.517 98 Y HA 0.052 4.602 4.550 0.000 0.000 0.281 98 Y C 1.579 177.487 175.900 0.014 0.000 1.125 98 Y CA 0.683 58.789 58.100 0.010 0.000 1.283 98 Y CB 0.083 38.555 38.460 0.020 0.000 1.042 98 Y HN 0.220 nan 8.280 nan 0.000 0.547 99 Q N 1.637 121.529 119.800 0.153 0.000 2.560 99 Q HA 0.200 4.540 4.340 0.000 0.000 0.238 99 Q C -1.844 174.193 176.000 0.062 0.000 1.079 99 Q CA -2.006 53.853 55.803 0.094 0.000 0.866 99 Q CB 0.923 29.708 28.738 0.079 0.000 1.153 99 Q HN 0.217 nan 8.270 nan 0.000 0.530 100 P HA -0.203 nan 4.420 nan 0.000 0.217 100 P C 0.320 177.642 177.300 0.036 0.000 1.148 100 P CA 1.260 64.388 63.100 0.047 0.000 0.828 100 P CB 0.627 32.357 31.700 0.050 0.000 0.783 101 E N 0.162 120.379 120.200 0.028 0.000 2.160 101 E HA -0.118 4.232 4.350 0.000 0.000 0.195 101 E C 1.736 178.345 176.600 0.016 0.000 0.991 101 E CA 1.472 57.883 56.400 0.018 0.000 0.810 101 E CB -0.764 28.943 29.700 0.013 0.000 0.742 101 E HN 0.331 nan 8.360 nan 0.000 0.466 102 V N -3.336 116.589 119.914 0.019 0.000 3.319 102 V HA 0.323 4.443 4.120 0.000 0.000 0.317 102 V C 0.644 176.742 176.094 0.006 0.000 1.411 102 V CA -0.085 62.221 62.300 0.010 0.000 1.112 102 V CB 0.640 32.468 31.823 0.009 0.000 1.031 102 V HN 0.003 nan 8.190 nan 0.000 0.448 103 S N 0.363 116.074 115.700 0.017 0.000 2.843 103 S HA 0.247 4.717 4.470 0.000 0.000 0.249 103 S C 1.230 175.852 174.600 0.037 0.000 1.047 103 S CA -0.377 57.832 58.200 0.014 0.000 1.042 103 S CB 0.451 63.655 63.200 0.007 0.000 0.936 103 S HN 0.435 nan 8.310 nan 0.000 0.531 104 Q N 1.374 121.205 119.800 0.051 0.000 2.226 104 Q HA -0.048 4.292 4.340 0.000 0.000 0.204 104 Q C 2.109 178.161 176.000 0.088 0.000 0.975 104 Q CA 1.489 57.350 55.803 0.098 0.000 0.866 104 Q CB -0.693 28.107 28.738 0.103 0.000 0.915 104 Q HN 0.646 nan 8.270 nan 0.000 0.440 105 G N 0.308 109.139 108.800 0.051 0.000 2.511 105 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 105 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 105 G C 1.580 176.584 174.900 0.174 0.000 1.218 105 G CA 1.133 46.279 45.100 0.077 0.000 0.788 105 G HN 0.297 nan 8.290 nan 0.000 0.560 106 V N 0.714 120.718 119.914 0.150 0.000 2.407 106 V HA -0.087 4.033 4.120 0.000 0.000 0.248 106 V C 2.871 178.993 176.094 0.045 0.000 1.055 106 V CA 0.981 63.366 62.300 0.141 0.000 1.049 106 V CB -0.390 31.481 31.823 0.079 0.000 0.662 106 V HN 0.178 nan 8.190 nan 0.000 0.455 107 L N -0.154 121.093 121.223 0.040 0.000 1.994 107 L HA -0.203 4.137 4.340 0.000 0.000 0.208 107 L C 2.519 179.353 176.870 -0.061 0.000 1.071 107 L CA 2.095 56.957 54.840 0.037 0.000 0.745 107 L CB -1.469 40.657 42.059 0.112 0.000 0.892 107 L HN 0.441 nan 8.230 nan 0.000 0.431 108 Q N -0.990 118.725 119.800 -0.143 0.000 2.124 108 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 108 Q C 2.128 177.985 176.000 -0.237 0.000 0.977 108 Q CA 1.760 57.253 55.803 -0.516 0.000 0.850 108 Q CB 0.045 28.606 28.738 -0.295 0.000 0.901 108 Q HN 0.491 nan 8.270 nan 0.000 0.429 109 A N -0.146 122.632 122.820 -0.070 0.000 1.933 109 A HA -0.162 4.158 4.320 0.000 0.000 0.218 109 A C 2.160 179.718 177.584 -0.043 0.000 1.175 109 A CA 1.874 53.882 52.037 -0.049 0.000 0.628 109 A CB -0.796 18.179 19.000 -0.042 0.000 0.814 109 A HN 0.476 nan 8.150 nan 0.000 0.444 110 T N -1.010 113.529 114.554 -0.026 0.000 2.857 110 T HA -0.075 4.275 4.350 0.000 0.000 0.266 110 T C 1.588 176.343 174.700 0.091 0.000 1.048 110 T CA 1.326 63.443 62.100 0.028 0.000 1.139 110 T CB -0.365 68.507 68.868 0.006 0.000 0.874 110 T HN 0.489 nan 8.240 nan 0.000 0.455 111 F N 2.229 122.091 119.950 -0.147 0.000 2.171 111 F HA -0.080 4.447 4.527 0.000 0.000 0.300 111 F C 2.153 177.869 175.800 -0.141 0.000 1.090 111 F CA 1.279 59.177 58.000 -0.170 0.000 1.293 111 F CB -0.200 38.538 39.000 -0.436 0.000 1.013 111 F HN 0.184 nan 8.300 nan 0.000 0.486 112 E N -1.142 119.010 120.200 -0.081 0.000 2.107 112 E HA -0.240 4.110 4.350 0.000 0.000 0.191 112 E C 1.954 178.471 176.600 -0.139 0.000 0.982 112 E CA 1.269 57.591 56.400 -0.130 0.000 0.809 112 E CB -0.582 29.091 29.700 -0.045 0.000 0.756 112 E HN 0.635 nan 8.360 nan 0.000 0.459 113 Y N 2.247 122.439 120.300 -0.180 0.000 2.128 113 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 113 Y C 2.127 177.924 175.900 -0.171 0.000 1.154 113 Y CA 1.901 59.899 58.100 -0.170 0.000 1.149 113 Y CB -0.264 38.090 38.460 -0.178 0.000 0.976 113 Y HN -0.040 nan 8.280 nan 0.000 0.505 114 Q N -0.463 119.135 119.800 -0.337 0.000 2.061 114 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 114 Q C 2.171 177.912 176.000 -0.431 0.000 0.984 114 Q CA 2.572 58.127 55.803 -0.413 0.000 0.846 114 Q CB -0.441 28.158 28.738 -0.232 0.000 0.902 114 Q HN 0.484 nan 8.270 nan 0.000 0.421 115 T N 1.004 115.284 114.554 -0.456 0.000 2.684 115 T HA -0.169 4.181 4.350 0.000 0.000 0.267 115 T C 1.838 176.364 174.700 -0.289 0.000 1.036 115 T CA 1.394 63.265 62.100 -0.383 0.000 1.148 115 T CB -0.170 68.459 68.868 -0.400 0.000 0.863 115 T HN 0.239 nan 8.240 nan 0.000 0.436 116 M N 0.198 119.626 119.600 -0.288 0.000 2.117 116 M HA -0.040 4.440 4.480 0.000 0.000 0.262 116 M C 2.169 178.293 176.300 -0.295 0.000 1.065 116 M CA 1.314 56.471 55.300 -0.238 0.000 1.114 116 M CB -0.404 32.087 32.600 -0.182 0.000 1.361 116 M HN 0.163 nan 8.290 nan 0.000 0.408 117 I N 0.549 120.855 120.570 -0.440 0.000 2.179 117 I HA -0.214 3.956 4.170 0.000 0.000 0.242 117 I C 2.755 178.671 176.117 -0.336 0.000 1.088 117 I CA 1.625 62.634 61.300 -0.485 0.000 1.357 117 I CB -1.607 36.016 38.000 -0.628 0.000 1.051 117 I HN 0.218 nan 8.210 nan 0.000 0.409 118 A N 0.369 123.027 122.820 -0.270 0.000 1.917 118 A HA -0.215 4.105 4.320 0.000 0.000 0.219 118 A C 2.226 179.724 177.584 -0.144 0.000 1.182 118 A CA 1.610 53.545 52.037 -0.169 0.000 0.633 118 A CB -0.492 18.414 19.000 -0.156 0.000 0.819 118 A HN 0.376 nan 8.150 nan 0.000 0.448 119 E N -0.650 119.454 120.200 -0.160 0.000 2.072 119 E HA -0.151 4.199 4.350 0.000 0.000 0.191 119 E C 1.987 178.516 176.600 -0.118 0.000 0.985 119 E CA 0.985 57.312 56.400 -0.122 0.000 0.801 119 E CB -0.496 29.133 29.700 -0.118 0.000 0.750 119 E HN 0.469 nan 8.360 nan 0.000 0.452 120 L N 0.735 121.862 121.223 -0.160 0.000 2.079 120 L HA -0.116 4.224 4.340 0.000 0.000 0.210 120 L C 2.058 178.850 176.870 -0.129 0.000 1.081 120 L CA 1.961 56.706 54.840 -0.157 0.000 0.752 120 L CB -0.590 41.329 42.059 -0.235 0.000 0.896 120 L HN 0.044 nan 8.230 nan 0.000 0.433 121 A N -1.731 121.007 122.820 -0.136 0.000 2.218 121 A HA 0.379 4.699 4.320 0.000 0.000 0.209 121 A C 1.737 179.316 177.584 -0.009 0.000 1.168 121 A CA 0.676 52.687 52.037 -0.045 0.000 0.804 121 A CB -0.684 18.318 19.000 0.003 0.000 0.834 121 A HN 0.705 nan 8.150 nan 0.000 0.482 122 G N -1.618 107.159 108.800 -0.037 0.000 2.148 122 G HA2 -0.195 3.765 3.960 0.000 0.000 0.254 122 G HA3 -0.195 3.765 3.960 0.000 0.000 0.254 122 G C 0.119 175.015 174.900 -0.007 0.000 0.981 122 G CA 0.532 45.617 45.100 -0.024 0.000 0.670 122 G HN 0.300 nan 8.290 nan 0.000 0.528 123 L N -0.320 120.899 121.223 -0.007 0.000 2.544 123 L HA 0.550 4.890 4.340 0.000 0.000 0.256 123 L C 1.645 178.501 176.870 -0.024 0.000 1.097 123 L CA 0.142 54.985 54.840 0.005 0.000 0.812 123 L CB 0.228 42.308 42.059 0.035 0.000 1.440 123 L HN 0.315 nan 8.230 nan 0.000 0.496 124 E N 0.114 120.301 120.200 -0.022 0.000 2.099 124 E HA 0.142 4.492 4.350 0.000 0.000 0.191 124 E C 0.100 176.671 176.600 -0.047 0.000 0.962 124 E CA 0.470 56.847 56.400 -0.039 0.000 0.826 124 E CB 0.623 30.297 29.700 -0.043 0.000 0.788 124 E HN 0.564 nan 8.360 nan 0.000 0.461 125 I N -2.587 117.965 120.570 -0.029 0.000 3.145 125 I HA 0.813 4.983 4.170 0.000 0.000 0.313 125 I C -1.322 174.784 176.117 -0.018 0.000 1.122 125 I CA -1.419 59.862 61.300 -0.031 0.000 0.987 125 I CB 2.425 40.425 38.000 -0.000 0.000 1.236 125 I HN -0.121 nan 8.210 nan 0.000 0.453 126 A N 2.188 124.991 122.820 -0.028 0.000 2.604 126 A HA 0.624 4.944 4.320 0.000 0.000 0.295 126 A C -1.162 176.442 177.584 0.034 0.000 1.067 126 A CA -0.768 51.269 52.037 -0.001 0.000 0.683 126 A CB 1.456 20.407 19.000 -0.081 0.000 1.281 126 A HN 0.950 nan 8.150 nan 0.000 0.407 127 N N 0.674 119.429 118.700 0.091 0.000 2.364 127 N HA 0.493 5.233 4.740 0.000 0.000 0.264 127 N C 0.908 176.543 175.510 0.208 0.000 1.263 127 N CA 0.082 53.201 53.050 0.115 0.000 0.959 127 N CB 0.538 39.078 38.487 0.088 0.000 1.204 127 N HN 0.884 nan 8.380 nan 0.000 0.550 128 A N -1.224 121.696 122.820 0.166 0.000 2.239 128 A HA 0.272 4.592 4.320 0.000 0.000 0.209 128 A C 0.069 177.704 177.584 0.086 0.000 1.171 128 A CA 0.849 52.984 52.037 0.164 0.000 0.768 128 A CB -1.446 17.572 19.000 0.031 0.000 0.790 128 A HN 1.514 nan 8.150 nan 0.000 0.478 129 S N -3.352 112.453 115.700 0.175 0.000 2.539 129 S HA 0.195 4.665 4.470 0.000 0.000 0.280 129 S C -1.018 173.615 174.600 0.055 0.000 0.679 129 S CA -0.618 57.675 58.200 0.154 0.000 1.358 129 S CB -0.481 62.677 63.200 -0.071 0.000 1.669 129 S HN 0.405 nan 8.310 nan 0.000 0.458 130 M N 0.797 120.439 119.600 0.071 0.000 2.691 130 M HA 0.463 4.943 4.480 0.000 0.000 0.293 130 M C 0.295 176.586 176.300 -0.015 0.000 1.259 130 M CA -0.785 54.444 55.300 -0.117 0.000 0.827 130 M CB 0.627 33.143 32.600 -0.140 0.000 1.753 130 M HN 0.868 nan 8.290 nan 0.000 0.465 131 Y N 1.059 121.362 120.300 0.005 0.000 2.128 131 Y HA -0.178 4.372 4.550 0.000 0.000 0.284 131 Y C 1.274 177.165 175.900 -0.014 0.000 1.154 131 Y CA 1.278 59.377 58.100 -0.002 0.000 1.149 131 Y CB -0.458 37.987 38.460 -0.025 0.000 0.976 131 Y HN 0.690 nan 8.280 nan 0.000 0.505 132 D N -4.029 116.414 120.400 0.072 0.000 2.851 132 D HA 0.183 4.823 4.640 0.000 0.000 0.339 132 D C 1.290 177.455 176.300 -0.225 0.000 1.347 132 D CA 0.032 53.998 54.000 -0.057 0.000 0.888 132 D CB 0.493 41.261 40.800 -0.054 0.000 1.431 132 D HN 0.078 nan 8.370 nan 0.000 0.509 133 G N 0.073 108.691 108.800 -0.305 0.000 2.421 133 G HA2 -0.044 3.916 3.960 0.000 0.000 0.216 133 G HA3 -0.044 3.916 3.960 0.000 0.000 0.216 133 G C 1.446 175.805 174.900 -0.901 0.000 1.171 133 G CA 2.246 47.074 45.100 -0.454 0.000 0.775 133 G HN 0.746 nan 8.290 nan 0.000 0.543 134 A N 0.900 122.950 122.820 -1.282 0.000 1.865 134 A HA -0.114 4.206 4.320 0.000 0.000 0.217 134 A C 2.684 179.903 177.584 -0.608 0.000 1.191 134 A CA 3.234 54.587 52.037 -1.141 0.000 0.623 134 A CB -1.358 17.191 19.000 -0.751 0.000 0.826 134 A HN 0.591 nan 8.150 nan 0.000 0.444 135 T N -2.012 112.281 114.554 -0.435 0.000 2.867 135 T HA 0.101 4.451 4.350 0.000 0.000 0.268 135 T C 1.899 176.353 174.700 -0.409 0.000 1.057 135 T CA 1.598 63.454 62.100 -0.407 0.000 1.136 135 T CB -0.558 68.244 68.868 -0.111 0.000 0.874 135 T HN 0.608 nan 8.240 nan 0.000 0.466 136 A N 1.665 124.272 122.820 -0.356 0.000 1.902 136 A HA 0.126 4.446 4.320 0.000 0.000 0.217 136 A C 2.304 179.707 177.584 -0.301 0.000 1.181 136 A CA 1.519 53.373 52.037 -0.306 0.000 0.623 136 A CB -0.888 17.919 19.000 -0.321 0.000 0.818 136 A HN 0.471 nan 8.150 nan 0.000 0.443 137 L N -0.104 120.921 121.223 -0.330 0.000 2.017 137 L HA -0.063 4.277 4.340 0.000 0.000 0.208 137 L C 2.626 179.349 176.870 -0.245 0.000 1.073 137 L CA 2.294 56.988 54.840 -0.244 0.000 0.745 137 L CB -0.937 41.017 42.059 -0.176 0.000 0.894 137 L HN 0.333 nan 8.230 nan 0.000 0.432 138 A N -0.780 121.826 122.820 -0.356 0.000 1.908 138 A HA -0.192 4.128 4.320 0.000 0.000 0.218 138 A C 2.163 179.576 177.584 -0.284 0.000 1.181 138 A CA 1.810 53.609 52.037 -0.397 0.000 0.627 138 A CB -0.597 17.851 19.000 -0.921 0.000 0.818 138 A HN 0.582 nan 8.150 nan 0.000 0.445 139 E N -0.619 119.404 120.200 -0.294 0.000 2.107 139 E HA -0.099 4.251 4.350 0.000 0.000 0.191 139 E C 2.200 178.730 176.600 -0.117 0.000 0.982 139 E CA 1.019 57.321 56.400 -0.164 0.000 0.809 139 E CB -0.603 28.999 29.700 -0.162 0.000 0.756 139 E HN 0.591 nan 8.360 nan 0.000 0.459 140 G N 1.128 109.845 108.800 -0.139 0.000 2.422 140 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 140 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 140 G C 1.823 176.664 174.900 -0.098 0.000 1.146 140 G CA 0.773 45.808 45.100 -0.108 0.000 0.769 140 G HN 0.154 nan 8.290 nan 0.000 0.547 141 V N 0.871 120.724 119.914 -0.102 0.000 2.379 141 V HA -0.060 4.060 4.120 0.000 0.000 0.245 141 V C 2.891 178.951 176.094 -0.057 0.000 1.044 141 V CA 1.195 63.449 62.300 -0.076 0.000 1.036 141 V CB -0.387 31.396 31.823 -0.066 0.000 0.664 141 V HN 0.330 nan 8.190 nan 0.000 0.453 142 L N -0.562 120.633 121.223 -0.046 0.000 2.079 142 L HA -0.222 4.118 4.340 0.000 0.000 0.210 142 L C 2.420 179.269 176.870 -0.034 0.000 1.081 142 L CA 1.523 56.352 54.840 -0.018 0.000 0.752 142 L CB -0.505 41.562 42.059 0.012 0.000 0.896 142 L HN 0.348 nan 8.230 nan 0.000 0.433 143 L N -0.225 120.967 121.223 -0.051 0.000 2.017 143 L HA -0.220 4.120 4.340 0.000 0.000 0.208 143 L C 2.777 179.578 176.870 -0.115 0.000 1.073 143 L CA 1.558 56.358 54.840 -0.065 0.000 0.745 143 L CB -0.297 41.727 42.059 -0.060 0.000 0.894 143 L HN 0.229 nan 8.230 nan 0.000 0.432 144 A N -0.039 122.703 122.820 -0.131 0.000 1.908 144 A HA -0.216 4.104 4.320 0.000 0.000 0.218 144 A C 2.162 179.680 177.584 -0.109 0.000 1.181 144 A CA 1.877 53.816 52.037 -0.162 0.000 0.627 144 A CB -0.861 18.070 19.000 -0.114 0.000 0.818 144 A HN 0.534 nan 8.150 nan 0.000 0.445 145 L N -1.485 119.699 121.223 -0.065 0.000 2.141 145 L HA -0.129 4.211 4.340 0.000 0.000 0.209 145 L C 2.844 179.694 176.870 -0.034 0.000 1.094 145 L CA 1.115 55.933 54.840 -0.037 0.000 0.763 145 L CB -0.447 41.602 42.059 -0.017 0.000 0.908 145 L HN 0.368 nan 8.230 nan 0.000 0.437 146 R N -0.241 120.235 120.500 -0.039 0.000 2.093 146 R HA -0.148 4.192 4.340 0.000 0.000 0.224 146 R C 2.163 178.442 176.300 -0.034 0.000 1.101 146 R CA 0.957 57.042 56.100 -0.025 0.000 0.979 146 R CB -0.033 30.257 30.300 -0.015 0.000 0.877 146 R HN 0.178 nan 8.270 nan 0.000 0.441 147 E N 0.264 120.417 120.200 -0.078 0.000 2.107 147 E HA -0.113 4.237 4.350 0.000 0.000 0.191 147 E C 1.666 178.227 176.600 -0.065 0.000 0.982 147 E CA 1.858 58.198 56.400 -0.100 0.000 0.809 147 E CB 0.076 29.603 29.700 -0.290 0.000 0.756 147 E HN 0.343 nan 8.360 nan 0.000 0.459 148 T N -4.255 110.260 114.554 -0.065 0.000 3.057 148 T HA 0.261 4.611 4.350 0.000 0.000 0.254 148 T C 1.638 176.334 174.700 -0.007 0.000 1.094 148 T CA 0.550 62.634 62.100 -0.026 0.000 1.088 148 T CB 0.176 69.031 68.868 -0.022 0.000 0.934 148 T HN 0.298 nan 8.240 nan 0.000 0.497 149 G N 1.863 110.656 108.800 -0.011 0.000 2.162 149 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 149 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 149 G C 0.204 175.105 174.900 0.002 0.000 0.976 149 G CA 0.160 45.260 45.100 -0.001 0.000 0.655 149 G HN 0.703 nan 8.290 nan 0.000 0.533 150 R N -1.003 119.497 120.500 0.000 0.000 2.607 150 R HA 0.739 5.079 4.340 0.000 0.000 0.261 150 R C 1.052 177.355 176.300 0.004 0.000 1.051 150 R CA -0.705 55.398 56.100 0.005 0.000 1.110 150 R CB 0.385 30.690 30.300 0.009 0.000 1.158 150 R HN 0.092 nan 8.270 nan 0.000 0.543 151 M N 0.100 119.704 119.600 0.007 0.000 2.306 151 M HA 0.202 4.682 4.480 0.000 0.000 0.292 151 M C 0.402 176.708 176.300 0.010 0.000 1.018 151 M CA 0.015 55.320 55.300 0.008 0.000 1.007 151 M CB 1.036 33.641 32.600 0.008 0.000 1.510 151 M HN 0.723 nan 8.290 nan 0.000 0.537 152 G N 1.039 109.847 108.800 0.013 0.000 2.367 152 G HA2 0.556 4.516 3.960 0.000 0.000 0.314 152 G HA3 0.556 4.516 3.960 0.000 0.000 0.314 152 G C -0.887 174.024 174.900 0.019 0.000 1.130 152 G CA -0.241 44.868 45.100 0.016 0.000 0.864 152 G HN 0.058 nan 8.290 nan 0.000 0.486 153 V N 2.829 122.755 119.914 0.020 0.000 2.686 153 V HA 0.410 4.530 4.120 0.000 0.000 0.306 153 V C -0.299 175.813 176.094 0.029 0.000 1.065 153 V CA -0.634 61.680 62.300 0.022 0.000 0.894 153 V CB 1.802 33.633 31.823 0.013 0.000 1.004 153 V HN 0.638 nan 8.190 nan 0.000 0.424 154 L N 4.843 126.092 121.223 0.043 0.000 2.305 154 L HA 0.715 5.055 4.340 0.000 0.000 0.284 154 L C -0.595 176.305 176.870 0.049 0.000 1.013 154 L CA -0.735 54.136 54.840 0.053 0.000 0.819 154 L CB 1.833 43.939 42.059 0.078 0.000 1.227 154 L HN 0.461 nan 8.230 nan 0.000 0.417 155 V N 3.105 123.039 119.914 0.033 0.000 2.487 155 V HA 0.379 4.499 4.120 0.000 0.000 0.298 155 V C 0.193 176.297 176.094 0.017 0.000 1.028 155 V CA -0.287 62.023 62.300 0.017 0.000 0.860 155 V CB 2.219 34.047 31.823 0.007 0.000 0.991 155 V HN 0.849 nan 8.190 nan 0.000 0.427 156 S N 4.142 119.842 115.700 0.000 0.000 2.572 156 S HA 0.074 4.544 4.470 0.000 0.000 0.279 156 S C 0.952 175.564 174.600 0.019 0.000 1.341 156 S CA 0.655 58.858 58.200 0.005 0.000 1.043 156 S CB 1.075 64.240 63.200 -0.058 0.000 0.887 156 S HN 0.976 nan 8.310 nan 0.000 0.516 157 Q N 3.069 122.891 119.800 0.036 0.000 2.488 157 Q HA 0.016 4.356 4.340 0.000 0.000 0.211 157 Q C 1.602 177.703 176.000 0.168 0.000 0.967 157 Q CA 1.038 56.861 55.803 0.032 0.000 0.926 157 Q CB -0.700 28.012 28.738 -0.043 0.000 0.992 157 Q HN 0.984 nan 8.270 nan 0.000 0.506 158 G N 0.187 109.076 108.800 0.148 0.000 2.598 158 G HA2 -0.015 3.945 3.960 0.000 0.000 0.215 158 G HA3 -0.015 3.945 3.960 0.000 0.000 0.215 158 G C 0.464 175.435 174.900 0.117 0.000 1.131 158 G CA -0.008 45.198 45.100 0.176 0.000 0.785 158 G HN 0.176 nan 8.290 nan 0.000 0.539 159 V N 1.907 121.853 119.914 0.054 0.000 2.555 159 V HA 0.071 4.191 4.120 0.000 0.000 0.286 159 V C 0.773 176.855 176.094 -0.020 0.000 1.044 159 V CA -1.178 61.123 62.300 0.001 0.000 1.026 159 V CB 0.940 32.766 31.823 0.004 0.000 0.981 159 V HN 0.430 nan 8.190 nan 0.000 0.480 160 H N 9.216 128.153 119.070 -0.222 0.000 3.209 160 H HA -0.054 4.502 4.556 0.000 0.000 0.297 160 H C -1.348 173.806 175.328 -0.291 0.000 0.936 160 H CA -0.745 55.084 56.048 -0.365 0.000 1.392 160 H CB 1.156 30.646 29.762 -0.453 0.000 1.349 160 H HN 0.430 nan 8.280 nan 0.000 0.568 161 P HA -0.191 nan 4.420 nan 0.000 0.216 161 P C 1.005 178.370 177.300 0.108 0.000 1.150 161 P CA 1.496 64.519 63.100 -0.128 0.000 0.843 161 P CB 0.304 31.847 31.700 -0.261 0.000 0.787 162 E N -1.359 119.063 120.200 0.370 0.000 2.106 162 E HA -0.179 4.171 4.350 0.000 0.000 0.192 162 E C 2.216 178.938 176.600 0.203 0.000 0.984 162 E CA 0.935 57.475 56.400 0.234 0.000 0.806 162 E CB -0.470 29.330 29.700 0.167 0.000 0.750 162 E HN 0.272 nan 8.360 nan 0.000 0.458 163 Y N 0.983 121.278 120.300 -0.009 0.000 2.145 163 Y HA -0.147 4.403 4.550 0.000 0.000 0.286 163 Y C 2.322 178.199 175.900 -0.039 0.000 1.145 163 Y CA 1.103 59.167 58.100 -0.060 0.000 1.148 163 Y CB -0.303 38.124 38.460 -0.055 0.000 0.981 163 Y HN -0.069 nan 8.280 nan 0.000 0.507 164 R N -0.519 120.075 120.500 0.157 0.000 2.120 164 R HA -0.131 4.209 4.340 0.000 0.000 0.234 164 R C 2.412 178.740 176.300 0.046 0.000 1.123 164 R CA 1.015 57.156 56.100 0.068 0.000 0.975 164 R CB -0.501 29.818 30.300 0.032 0.000 0.866 164 R HN 0.316 nan 8.270 nan 0.000 0.446 165 A N 0.582 123.433 122.820 0.052 0.000 1.873 165 A HA -0.084 4.236 4.320 0.000 0.000 0.215 165 A C 2.330 179.944 177.584 0.051 0.000 1.186 165 A CA 1.129 53.190 52.037 0.039 0.000 0.616 165 A CB -0.465 18.558 19.000 0.037 0.000 0.823 165 A HN 0.095 nan 8.150 nan 0.000 0.442 166 V N -0.081 119.859 119.914 0.044 0.000 2.343 166 V HA -0.237 3.884 4.120 0.000 0.000 0.247 166 V C 2.511 178.665 176.094 0.100 0.000 1.051 166 V CA 1.969 64.309 62.300 0.067 0.000 1.036 166 V CB -0.834 30.963 31.823 -0.045 0.000 0.654 166 V HN 0.594 nan 8.190 nan 0.000 0.451 167 L N 0.575 121.806 121.223 0.013 0.000 2.012 167 L HA -0.201 4.139 4.340 0.000 0.000 0.210 167 L C 2.593 179.508 176.870 0.075 0.000 1.073 167 L CA 2.345 57.189 54.840 0.007 0.000 0.748 167 L CB -0.786 41.265 42.059 -0.012 0.000 0.891 167 L HN 0.253 nan 8.230 nan 0.000 0.431 168 R N -0.614 119.922 120.500 0.060 0.000 2.091 168 R HA -0.187 4.153 4.340 0.000 0.000 0.238 168 R C 2.143 178.485 176.300 0.068 0.000 1.136 168 R CA 1.522 57.653 56.100 0.052 0.000 0.959 168 R CB -0.438 29.880 30.300 0.031 0.000 0.856 168 R HN 0.526 nan 8.270 nan 0.000 0.437 169 A N 0.106 122.982 122.820 0.093 0.000 1.858 169 A HA -0.189 4.131 4.320 0.000 0.000 0.216 169 A C 1.964 179.582 177.584 0.056 0.000 1.190 169 A CA 1.361 53.436 52.037 0.063 0.000 0.617 169 A CB -0.913 18.126 19.000 0.064 0.000 0.827 169 A HN 0.490 nan 8.150 nan 0.000 0.443 170 Y N -0.912 119.379 120.300 -0.016 0.000 2.224 170 Y HA -0.127 4.423 4.550 0.000 0.000 0.289 170 Y C 2.235 178.126 175.900 -0.014 0.000 1.146 170 Y CA 1.200 59.291 58.100 -0.015 0.000 1.182 170 Y CB -0.385 38.062 38.460 -0.021 0.000 0.983 170 Y HN 0.215 nan 8.280 nan 0.000 0.524 171 L N 0.144 121.455 121.223 0.147 0.000 1.988 171 L HA -0.176 4.164 4.340 0.000 0.000 0.207 171 L C 2.159 179.053 176.870 0.040 0.000 1.071 171 L CA 1.771 56.656 54.840 0.075 0.000 0.744 171 L CB -1.036 41.055 42.059 0.053 0.000 0.893 171 L HN 0.191 nan 8.230 nan 0.000 0.433 172 E N -1.036 119.182 120.200 0.029 0.000 2.265 172 E HA -0.190 4.160 4.350 0.000 0.000 0.196 172 E C 2.146 178.745 176.600 -0.003 0.000 0.996 172 E CA 0.843 57.249 56.400 0.010 0.000 0.832 172 E CB -0.121 29.582 29.700 0.006 0.000 0.756 172 E HN 0.515 nan 8.360 nan 0.000 0.491 173 A N 0.545 123.358 122.820 -0.012 0.000 1.972 173 A HA -0.109 4.211 4.320 0.000 0.000 0.219 173 A C 2.145 179.717 177.584 -0.020 0.000 1.169 173 A CA 1.030 53.045 52.037 -0.036 0.000 0.635 173 A CB -0.054 18.894 19.000 -0.086 0.000 0.810 173 A HN 0.220 nan 8.150 nan 0.000 0.446 174 V N -0.934 118.979 119.914 -0.002 0.000 3.271 174 V HA 0.445 4.565 4.120 0.000 0.000 0.327 174 V C 1.278 177.375 176.094 0.006 0.000 1.389 174 V CA 1.092 63.394 62.300 0.004 0.000 1.156 174 V CB -0.593 31.240 31.823 0.016 0.000 1.103 174 V HN 1.219 nan 8.190 nan 0.000 0.453 175 G N 0.521 109.324 108.800 0.004 0.000 2.179 175 G HA2 -0.211 3.749 3.960 0.000 0.000 0.260 175 G HA3 -0.211 3.749 3.960 0.000 0.000 0.260 175 G C 0.487 175.391 174.900 0.008 0.000 0.977 175 G CA 0.363 45.466 45.100 0.004 0.000 0.641 175 G HN 1.387 nan 8.290 nan 0.000 0.533 176 A N -0.307 122.520 122.820 0.012 0.000 2.346 176 A HA 0.662 4.982 4.320 0.000 0.000 0.252 176 A C 0.432 178.024 177.584 0.013 0.000 1.089 176 A CA 0.306 52.350 52.037 0.013 0.000 0.797 176 A CB 0.516 19.526 19.000 0.017 0.000 1.047 176 A HN 0.218 nan 8.150 nan 0.000 0.494 177 K N 0.162 120.570 120.400 0.012 0.000 2.324 177 K HA 0.585 4.905 4.320 0.000 0.000 0.253 177 K C -1.571 175.036 176.600 0.013 0.000 0.932 177 K CA -0.544 55.749 56.287 0.012 0.000 0.799 177 K CB 1.796 34.301 32.500 0.010 0.000 1.154 177 K HN 0.511 nan 8.250 nan 0.000 0.425 178 L N 3.031 124.261 121.223 0.012 0.000 2.341 178 L HA 0.536 4.876 4.340 0.000 0.000 0.278 178 L C -1.546 175.331 176.870 0.011 0.000 1.005 178 L CA -0.899 53.949 54.840 0.013 0.000 0.818 178 L CB 1.499 43.566 42.059 0.013 0.000 1.259 178 L HN 0.506 nan 8.230 nan 0.000 0.418 179 L N 3.966 125.198 121.223 0.015 0.000 2.356 179 L HA 0.635 4.975 4.340 0.000 0.000 0.277 179 L C -0.554 176.325 176.870 0.015 0.000 0.996 179 L CA 0.131 54.980 54.840 0.014 0.000 0.822 179 L CB 2.000 44.070 42.059 0.019 0.000 1.256 179 L HN 0.714 nan 8.230 nan 0.000 0.413 180 T N 6.181 120.738 114.554 0.006 0.000 2.743 180 T HA 0.461 4.811 4.350 0.000 0.000 0.293 180 T C 0.052 174.758 174.700 0.011 0.000 0.945 180 T CA -0.238 61.863 62.100 0.002 0.000 1.030 180 T CB 0.308 69.164 68.868 -0.020 0.000 0.912 180 T HN 0.412 nan 8.240 nan 0.000 0.483 181 L N 6.832 128.072 121.223 0.028 0.000 2.268 181 L HA 0.327 4.667 4.340 0.000 0.000 0.289 181 L C -1.789 175.104 176.870 0.039 0.000 1.064 181 L CA -2.117 52.752 54.840 0.047 0.000 0.824 181 L CB 0.317 42.430 42.059 0.090 0.000 1.202 181 L HN 0.330 nan 8.230 nan 0.000 0.433 182 P HA 0.098 nan 4.420 nan 0.000 0.272 182 P C -0.635 176.700 177.300 0.058 0.000 1.223 182 P CA -0.546 62.563 63.100 0.016 0.000 0.784 182 P CB 1.179 32.879 31.700 -0.000 0.000 0.923 183 L N 2.081 123.354 121.223 0.083 0.000 2.417 183 L HA 0.249 4.589 4.340 0.000 0.000 0.268 183 L C 1.066 177.997 176.870 0.101 0.000 1.158 183 L CA 0.628 55.542 54.840 0.123 0.000 0.819 183 L CB -0.286 41.897 42.059 0.207 0.000 1.112 183 L HN 0.391 nan 8.230 nan 0.000 0.458 184 E N 1.052 121.301 120.200 0.082 0.000 2.220 184 E HA 0.451 4.801 4.350 0.000 0.000 0.256 184 E C 0.252 176.865 176.600 0.023 0.000 0.881 184 E CA -0.037 56.395 56.400 0.053 0.000 0.766 184 E CB 1.308 31.034 29.700 0.043 0.000 1.187 184 E HN 0.792 nan 8.360 nan 0.000 0.419 185 G N 2.458 111.248 108.800 -0.016 0.000 2.198 185 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 185 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 185 G C 0.888 175.714 174.900 -0.123 0.000 1.025 185 G CA 0.482 45.525 45.100 -0.095 0.000 0.769 185 G HN 1.160 nan 8.290 nan 0.000 0.507 186 G N -1.798 106.956 108.800 -0.077 0.000 2.225 186 G HA2 -0.251 3.709 3.960 0.000 0.000 0.254 186 G HA3 -0.251 3.709 3.960 0.000 0.000 0.254 186 G C 0.450 175.391 174.900 0.069 0.000 0.988 186 G CA 1.144 46.235 45.100 -0.015 0.000 0.625 186 G HN 1.077 nan 8.290 nan 0.000 0.527 187 R N -0.046 120.491 120.500 0.062 0.000 2.873 187 R HA 0.660 5.000 4.340 0.000 0.000 0.264 187 R C -0.110 176.256 176.300 0.110 0.000 1.026 187 R CA 0.016 56.168 56.100 0.087 0.000 1.002 187 R CB 1.418 31.764 30.300 0.076 0.000 1.174 187 R HN 0.259 nan 8.270 nan 0.000 0.488 188 T N 1.154 115.791 114.554 0.138 0.000 2.744 188 T HA 0.371 4.721 4.350 0.000 0.000 0.291 188 T C -2.122 172.751 174.700 0.290 0.000 0.957 188 T CA -1.861 60.351 62.100 0.186 0.000 1.002 188 T CB 1.036 69.987 68.868 0.138 0.000 0.919 188 T HN 0.296 nan 8.240 nan 0.000 0.468 189 P HA 0.181 nan 4.420 nan 0.000 0.271 189 P C -0.136 177.205 177.300 0.069 0.000 1.218 189 P CA -0.778 62.384 63.100 0.103 0.000 0.780 189 P CB 0.614 32.346 31.700 0.052 0.000 0.901 190 L N 5.820 126.947 121.223 -0.160 0.000 2.534 190 L HA 0.190 4.530 4.340 0.000 0.000 0.271 190 L C -1.772 174.987 176.870 -0.184 0.000 1.178 190 L CA -0.815 53.765 54.840 -0.433 0.000 0.907 190 L CB -0.726 41.041 42.059 -0.486 0.000 1.164 190 L HN 0.366 nan 8.230 nan 0.000 0.482 191 P HA 0.255 nan 4.420 nan 0.000 0.284 191 P C -1.448 175.822 177.300 -0.050 0.000 1.287 191 P CA -0.762 62.325 63.100 -0.023 0.000 0.824 191 P CB 0.966 32.705 31.700 0.064 0.000 1.180 192 E N 0.112 120.299 120.200 -0.022 0.000 2.174 192 E HA 0.374 4.724 4.350 0.000 0.000 0.282 192 E C -1.109 175.490 176.600 -0.002 0.000 0.992 192 E CA -0.801 55.585 56.400 -0.023 0.000 0.803 192 E CB 0.961 30.651 29.700 -0.017 0.000 1.090 192 E HN 0.089 nan 8.360 nan 0.000 0.396 193 V N 4.508 124.420 119.914 -0.003 0.000 2.370 193 V HA 0.456 4.576 4.120 0.000 0.000 0.279 193 V C 0.844 176.947 176.094 0.016 0.000 1.029 193 V CA -0.443 61.867 62.300 0.015 0.000 0.870 193 V CB 1.191 33.028 31.823 0.022 0.000 0.984 193 V HN 0.801 nan 8.190 nan 0.000 0.451 194 G N 2.687 111.498 108.800 0.019 0.000 2.580 194 G HA2 0.346 4.306 3.960 0.000 0.000 0.278 194 G HA3 0.346 4.306 3.960 0.000 0.000 0.278 194 G C 0.366 175.279 174.900 0.022 0.000 1.212 194 G CA -0.383 44.728 45.100 0.018 0.000 0.939 194 G HN 0.760 nan 8.290 nan 0.000 0.513 195 E N -0.113 120.100 120.200 0.020 0.000 2.511 195 E HA -0.067 4.283 4.350 0.000 0.000 0.196 195 E C 1.592 178.205 176.600 0.022 0.000 1.066 195 E CA 0.281 56.695 56.400 0.023 0.000 0.871 195 E CB 0.341 30.053 29.700 0.021 0.000 0.863 195 E HN 0.682 nan 8.360 nan 0.000 0.520 196 E N 0.350 120.561 120.200 0.020 0.000 2.474 196 E HA -0.006 4.344 4.350 0.000 0.000 0.194 196 E C 0.476 177.089 176.600 0.020 0.000 1.041 196 E CA 0.135 56.546 56.400 0.018 0.000 0.874 196 E CB 0.168 29.877 29.700 0.015 0.000 0.914 196 E HN -0.061 nan 8.360 nan 0.000 0.498 197 V N 2.175 122.104 119.914 0.025 0.000 2.427 197 V HA 0.275 4.395 4.120 0.000 0.000 0.268 197 V C 1.357 177.471 176.094 0.033 0.000 1.046 197 V CA 0.462 62.780 62.300 0.031 0.000 0.970 197 V CB 1.138 32.985 31.823 0.039 0.000 1.001 197 V HN 0.353 nan 8.190 nan 0.000 0.476 198 G N 3.621 112.436 108.800 0.024 0.000 2.662 198 G HA2 0.469 4.429 3.960 0.000 0.000 0.212 198 G HA3 0.469 4.429 3.960 0.000 0.000 0.212 198 G C 0.409 175.321 174.900 0.020 0.000 1.141 198 G CA 0.755 45.865 45.100 0.016 0.000 0.797 198 G HN 0.933 nan 8.290 nan 0.000 0.531 199 A N -0.479 122.359 122.820 0.029 0.000 2.488 199 A HA 0.657 4.977 4.320 0.000 0.000 0.298 199 A C -1.606 176.018 177.584 0.066 0.000 1.044 199 A CA -0.366 51.693 52.037 0.037 0.000 0.693 199 A CB 1.996 20.994 19.000 -0.002 0.000 1.272 199 A HN 0.289 nan 8.150 nan 0.000 0.402 200 V N 2.205 122.191 119.914 0.121 0.000 2.448 200 V HA 0.564 4.684 4.120 0.000 0.000 0.295 200 V C -0.502 175.677 176.094 0.141 0.000 1.025 200 V CA -0.504 61.905 62.300 0.181 0.000 0.859 200 V CB 1.533 33.534 31.823 0.297 0.000 0.988 200 V HN 0.705 nan 8.190 nan 0.000 0.431 201 V N 5.652 125.598 119.914 0.054 0.000 2.448 201 V HA 0.687 4.807 4.120 0.000 0.000 0.295 201 V C -0.444 175.601 176.094 -0.082 0.000 1.025 201 V CA -0.509 61.752 62.300 -0.064 0.000 0.859 201 V CB 1.959 33.744 31.823 -0.064 0.000 0.988 201 V HN 0.607 nan 8.190 nan 0.000 0.431 202 V N 4.171 123.985 119.914 -0.166 0.000 2.888 202 V HA 0.481 4.601 4.120 0.000 0.000 0.309 202 V C -0.603 175.387 176.094 -0.174 0.000 1.114 202 V CA -0.645 61.532 62.300 -0.205 0.000 0.940 202 V CB 2.037 33.635 31.823 -0.374 0.000 1.021 202 V HN 0.918 nan 8.190 nan 0.000 0.426 203 Q N 2.926 122.649 119.800 -0.130 0.000 2.282 203 Q HA 0.601 4.941 4.340 0.000 0.000 0.260 203 Q C -1.080 174.874 176.000 -0.077 0.000 0.964 203 Q CA -0.500 55.246 55.803 -0.096 0.000 0.880 203 Q CB 1.681 30.373 28.738 -0.076 0.000 1.286 203 Q HN 0.799 nan 8.270 nan 0.000 0.445 204 N N 4.087 122.747 118.700 -0.066 0.000 2.519 204 N HA 0.435 5.175 4.740 0.000 0.000 0.291 204 N C -2.892 172.564 175.510 -0.090 0.000 1.107 204 N CA -1.425 51.589 53.050 -0.059 0.000 0.904 204 N CB 1.940 40.395 38.487 -0.053 0.000 1.500 204 N HN 0.313 nan 8.380 nan 0.000 0.510 205 P HA 0.146 nan 4.420 nan 0.000 0.269 205 P C -0.636 176.665 177.300 0.001 0.000 1.215 205 P CA -0.254 62.828 63.100 -0.029 0.000 0.780 205 P CB 0.480 32.198 31.700 0.031 0.000 0.898 206 N N 1.074 119.791 118.700 0.030 0.000 2.364 206 N HA 0.038 4.778 4.740 0.000 0.000 0.264 206 N C 0.703 176.245 175.510 0.053 0.000 1.263 206 N CA -0.351 52.724 53.050 0.041 0.000 0.959 206 N CB -0.508 38.016 38.487 0.061 0.000 1.204 206 N HN 0.222 nan 8.380 nan 0.000 0.550 207 F N -0.290 119.598 119.950 -0.104 0.000 2.115 207 F HA -0.044 4.483 4.527 0.000 0.000 0.300 207 F C 1.485 177.161 175.800 -0.207 0.000 1.092 207 F CA 1.524 59.404 58.000 -0.201 0.000 1.245 207 F CB -0.214 38.592 39.000 -0.323 0.000 0.995 207 F HN 0.417 nan 8.300 nan 0.000 0.481 208 L N -0.674 120.422 121.223 -0.212 0.000 2.599 208 L HA 0.219 4.559 4.340 0.000 0.000 0.230 208 L C 1.839 178.655 176.870 -0.089 0.000 1.141 208 L CA 0.626 55.328 54.840 -0.230 0.000 0.877 208 L CB -0.972 41.076 42.059 -0.018 0.000 1.009 208 L HN 0.441 nan 8.230 nan 0.000 0.447 209 G N 0.020 108.804 108.800 -0.027 0.000 2.175 209 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 209 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 209 G C 0.431 175.471 174.900 0.233 0.000 0.982 209 G CA -0.028 45.145 45.100 0.121 0.000 0.641 209 G HN 0.501 nan 8.290 nan 0.000 0.527 210 A N 0.599 123.520 122.820 0.167 0.000 2.440 210 A HA 0.657 4.977 4.320 0.000 0.000 0.251 210 A C 0.718 178.386 177.584 0.139 0.000 1.089 210 A CA -0.058 52.087 52.037 0.181 0.000 0.779 210 A CB 0.296 19.371 19.000 0.124 0.000 1.022 210 A HN 0.827 nan 8.150 nan 0.000 0.492 211 L N 2.031 123.342 121.223 0.147 0.000 2.360 211 L HA 0.268 4.608 4.340 0.000 0.000 0.276 211 L C 0.528 177.435 176.870 0.062 0.000 1.121 211 L CA -0.095 54.801 54.840 0.093 0.000 0.845 211 L CB 0.761 42.887 42.059 0.110 0.000 1.143 211 L HN 0.823 nan 8.230 nan 0.000 0.452 212 E N 1.580 121.794 120.200 0.022 0.000 2.227 212 E HA 0.148 4.498 4.350 0.000 0.000 0.268 212 E C -1.008 175.583 176.600 -0.015 0.000 0.990 212 E CA -0.571 55.836 56.400 0.013 0.000 0.856 212 E CB 1.372 31.046 29.700 -0.043 0.000 1.159 212 E HN 0.369 nan 8.360 nan 0.000 0.401 213 D N 2.989 123.409 120.400 0.033 0.000 2.479 213 D HA 0.134 4.774 4.640 0.000 0.000 0.218 213 D C 0.575 176.847 176.300 -0.048 0.000 1.131 213 D CA 0.033 54.014 54.000 -0.032 0.000 0.916 213 D CB 0.201 41.015 40.800 0.023 0.000 1.022 213 D HN 0.470 nan 8.370 nan 0.000 0.515 214 L N 2.665 123.655 121.223 -0.387 0.000 2.046 214 L HA 0.011 4.351 4.340 0.000 0.000 0.208 214 L C 2.526 179.208 176.870 -0.313 0.000 1.077 214 L CA 1.091 55.715 54.840 -0.361 0.000 0.747 214 L CB -0.643 41.062 42.059 -0.590 0.000 0.896 214 L HN 0.505 nan 8.230 nan 0.000 0.432 215 G N 1.598 110.182 108.800 -0.359 0.000 2.766 215 G HA2 -0.294 3.667 3.960 0.000 0.000 0.222 215 G HA3 -0.294 3.667 3.960 0.000 0.000 0.222 215 G C -0.412 174.417 174.900 -0.117 0.000 1.225 215 G CA 1.425 46.515 45.100 -0.017 0.000 0.784 215 G HN 0.334 nan 8.290 nan 0.000 0.631 216 P HA -0.087 nan 4.420 nan 0.000 0.219 216 P C 1.450 178.528 177.300 -0.371 0.000 1.146 216 P CA 1.009 63.967 63.100 -0.238 0.000 0.808 216 P CB -0.216 31.326 31.700 -0.264 0.000 0.779 217 F N 0.869 120.579 119.950 -0.401 0.000 2.186 217 F HA -0.026 4.501 4.527 0.000 0.000 0.299 217 F C 2.721 178.012 175.800 -0.849 0.000 1.090 217 F CA 1.333 59.007 58.000 -0.544 0.000 1.307 217 F CB -1.150 37.505 39.000 -0.575 0.000 1.019 217 F HN -0.059 nan 8.300 nan 0.000 0.489 218 A N -0.085 122.215 122.820 -0.866 0.000 1.898 218 A HA -0.163 4.157 4.320 0.000 0.000 0.216 218 A C 2.066 179.296 177.584 -0.590 0.000 1.181 218 A CA 1.642 53.161 52.037 -0.863 0.000 0.620 218 A CB -0.682 18.043 19.000 -0.458 0.000 0.819 218 A HN 0.404 nan 8.150 nan 0.000 0.442 219 E N -0.110 119.914 120.200 -0.294 0.000 2.106 219 E HA -0.066 4.284 4.350 0.000 0.000 0.192 219 E C 2.247 178.771 176.600 -0.126 0.000 0.984 219 E CA 0.924 57.252 56.400 -0.120 0.000 0.806 219 E CB -0.274 29.382 29.700 -0.072 0.000 0.750 219 E HN 0.609 nan 8.360 nan 0.000 0.458 220 A N 1.392 124.096 122.820 -0.193 0.000 1.930 220 A HA -0.064 4.256 4.320 0.000 0.000 0.217 220 A C 2.348 179.878 177.584 -0.089 0.000 1.175 220 A CA 1.544 53.496 52.037 -0.142 0.000 0.627 220 A CB -0.531 18.351 19.000 -0.196 0.000 0.815 220 A HN 0.287 nan 8.150 nan 0.000 0.443 221 A N -0.779 121.955 122.820 -0.142 0.000 1.855 221 A HA -0.131 4.189 4.320 0.000 0.000 0.215 221 A C 2.048 179.653 177.584 0.036 0.000 1.191 221 A CA 1.598 53.602 52.037 -0.054 0.000 0.613 221 A CB -0.908 18.057 19.000 -0.059 0.000 0.829 221 A HN 0.593 nan 8.150 nan 0.000 0.442 222 H N -0.240 118.858 119.070 0.046 0.000 2.352 222 H HA -0.100 4.456 4.556 0.000 0.000 0.299 222 H C 2.437 177.785 175.328 0.033 0.000 1.097 222 H CA 1.053 57.133 56.048 0.053 0.000 1.311 222 H CB -1.177 28.618 29.762 0.055 0.000 1.377 222 H HN 0.473 nan 8.280 nan 0.000 0.504 223 G N 0.331 109.211 108.800 0.133 0.000 2.507 223 G HA2 -0.228 3.732 3.960 0.000 0.000 0.221 223 G HA3 -0.228 3.732 3.960 0.000 0.000 0.221 223 G C 1.641 176.576 174.900 0.059 0.000 1.119 223 G CA 1.181 46.324 45.100 0.072 0.000 0.751 223 G HN 0.559 nan 8.290 nan 0.000 0.574 224 A N -0.477 122.379 122.820 0.060 0.000 2.345 224 A HA 0.516 4.836 4.320 0.000 0.000 0.225 224 A C 1.851 179.473 177.584 0.063 0.000 1.243 224 A CA 1.071 53.138 52.037 0.049 0.000 0.875 224 A CB -0.387 18.635 19.000 0.037 0.000 0.929 224 A HN 1.605 nan 8.150 nan 0.000 0.502 225 G N -1.507 107.347 108.800 0.090 0.000 2.160 225 G HA2 0.084 4.044 3.960 0.000 0.000 0.251 225 G HA3 0.084 4.044 3.960 0.000 0.000 0.251 225 G C 0.328 175.288 174.900 0.099 0.000 1.008 225 G CA 0.479 45.634 45.100 0.092 0.000 0.724 225 G HN 1.606 nan 8.290 nan 0.000 0.514 226 A N -0.527 122.366 122.820 0.122 0.000 2.306 226 A HA 0.867 5.187 4.320 0.000 0.000 0.330 226 A C 0.364 178.054 177.584 0.177 0.000 1.146 226 A CA -0.666 51.437 52.037 0.111 0.000 0.827 226 A CB 1.008 20.060 19.000 0.087 0.000 1.178 226 A HN 0.693 nan 8.150 nan 0.000 0.490 227 L N 1.047 122.347 121.223 0.130 0.000 2.375 227 L HA 0.389 4.729 4.340 0.000 0.000 0.271 227 L C -0.592 176.404 176.870 0.208 0.000 1.107 227 L CA -0.364 54.579 54.840 0.172 0.000 0.806 227 L CB 1.007 43.074 42.059 0.012 0.000 1.146 227 L HN 0.738 nan 8.230 nan 0.000 0.447 228 F N 2.827 122.817 119.950 0.067 0.000 2.415 228 F HA 0.494 5.021 4.527 0.000 0.000 0.348 228 F C -0.436 175.388 175.800 0.039 0.000 1.119 228 F CA -0.749 57.260 58.000 0.014 0.000 1.069 228 F CB 1.245 40.218 39.000 -0.046 0.000 1.124 228 F HN -0.033 nan 8.300 nan 0.000 0.472 229 V N 6.165 125.760 119.914 -0.532 0.000 2.384 229 V HA 0.729 4.849 4.120 0.000 0.000 0.287 229 V C -0.196 175.424 176.094 -0.789 0.000 1.020 229 V CA -0.741 61.260 62.300 -0.498 0.000 0.850 229 V CB 1.106 32.782 31.823 -0.245 0.000 0.987 229 V HN 0.988 nan 8.190 nan 0.000 0.436 230 A N 4.980 127.435 122.820 -0.608 0.000 2.288 230 A HA 0.800 5.120 4.320 0.000 0.000 0.320 230 A C -0.662 176.796 177.584 -0.211 0.000 1.217 230 A CA -0.503 51.259 52.037 -0.458 0.000 0.840 230 A CB 1.312 20.131 19.000 -0.303 0.000 1.179 230 A HN 0.639 nan 8.150 nan 0.000 0.504 231 V N 2.143 121.958 119.914 -0.165 0.000 2.350 231 V HA 0.667 4.787 4.120 0.000 0.000 0.276 231 V C 0.416 176.475 176.094 -0.059 0.000 1.028 231 V CA 0.217 62.457 62.300 -0.099 0.000 0.860 231 V CB 0.791 32.575 31.823 -0.066 0.000 0.990 231 V HN 1.205 nan 8.190 nan 0.000 0.453 232 A N 3.605 126.423 122.820 -0.003 0.000 2.486 232 A HA 0.565 4.885 4.320 0.000 0.000 0.300 232 A C -0.684 176.967 177.584 0.113 0.000 1.048 232 A CA -0.660 51.403 52.037 0.045 0.000 0.696 232 A CB 1.405 20.452 19.000 0.078 0.000 1.278 232 A HN 0.741 nan 8.150 nan 0.000 0.405 233 D N 3.586 124.015 120.400 0.049 0.000 2.383 233 D HA 0.122 4.762 4.640 0.000 0.000 0.252 233 D C -1.282 175.077 176.300 0.098 0.000 1.166 233 D CA -1.226 52.818 54.000 0.073 0.000 0.879 233 D CB 1.338 42.164 40.800 0.043 0.000 1.164 233 D HN 0.221 nan 8.370 nan 0.000 0.462 234 P HA -0.189 nan 4.420 nan 0.000 0.215 234 P C 1.793 179.102 177.300 0.015 0.000 1.153 234 P CA 0.505 63.626 63.100 0.036 0.000 0.853 234 P CB 0.216 31.915 31.700 -0.001 0.000 0.788 235 L N 1.161 122.402 121.223 0.030 0.000 2.079 235 L HA -0.151 4.189 4.340 0.000 0.000 0.210 235 L C 2.537 179.485 176.870 0.129 0.000 1.081 235 L CA 2.663 57.539 54.840 0.060 0.000 0.752 235 L CB -1.712 40.342 42.059 -0.009 0.000 0.896 235 L HN 0.043 nan 8.230 nan 0.000 0.433 236 S N -1.020 114.752 115.700 0.119 0.000 2.399 236 S HA -0.142 4.328 4.470 0.000 0.000 0.231 236 S C 1.911 176.503 174.600 -0.014 0.000 1.022 236 S CA 1.024 59.244 58.200 0.033 0.000 0.983 236 S CB -0.825 62.110 63.200 -0.442 0.000 0.803 236 S HN 0.380 nan 8.310 nan 0.000 0.480 237 L N 2.074 123.290 121.223 -0.011 0.000 2.450 237 L HA 0.077 4.417 4.340 0.000 0.000 0.224 237 L C 2.525 179.403 176.870 0.013 0.000 1.149 237 L CA 1.351 56.184 54.840 -0.012 0.000 0.816 237 L CB -2.145 39.893 42.059 -0.034 0.000 0.932 237 L HN 0.581 nan 8.230 nan 0.000 0.449 238 G N -1.612 107.219 108.800 0.051 0.000 2.509 238 G HA2 -0.049 3.911 3.960 0.000 0.000 0.218 238 G HA3 -0.049 3.911 3.960 0.000 0.000 0.218 238 G C 1.580 176.523 174.900 0.071 0.000 1.124 238 G CA 0.993 46.127 45.100 0.057 0.000 0.776 238 G HN 0.330 nan 8.290 nan 0.000 0.547 239 V N -0.697 119.282 119.914 0.108 0.000 3.408 239 V HA 0.451 4.571 4.120 0.000 0.000 0.263 239 V C 0.408 176.561 176.094 0.098 0.000 1.503 239 V CA -0.145 62.225 62.300 0.116 0.000 1.046 239 V CB 0.177 32.109 31.823 0.182 0.000 0.851 239 V HN 0.112 nan 8.190 nan 0.000 0.435 240 L N 1.764 123.026 121.223 0.065 0.000 2.357 240 L HA 0.441 4.781 4.340 0.000 0.000 0.273 240 L C 0.275 177.158 176.870 0.022 0.000 1.080 240 L CA -0.311 54.549 54.840 0.034 0.000 0.803 240 L CB 1.036 43.058 42.059 -0.063 0.000 1.174 240 L HN 0.067 nan 8.230 nan 0.000 0.443 241 K N 4.442 124.857 120.400 0.025 0.000 2.453 241 K HA 0.087 4.407 4.320 0.000 0.000 0.280 241 K C -2.167 174.416 176.600 -0.029 0.000 1.045 241 K CA -1.018 55.221 56.287 -0.081 0.000 1.059 241 K CB 0.477 32.835 32.500 -0.237 0.000 0.901 241 K HN 0.252 nan 8.250 nan 0.000 0.475 242 P HA 0.059 nan 4.420 nan 0.000 0.274 242 P C -2.262 175.101 177.300 0.106 0.000 1.231 242 P CA -1.432 61.686 63.100 0.029 0.000 0.790 242 P CB 0.878 32.574 31.700 -0.007 0.000 0.951 243 P HA -0.204 nan 4.420 nan 0.000 0.216 243 P C 1.684 179.143 177.300 0.265 0.000 1.150 243 P CA 1.929 65.237 63.100 0.345 0.000 0.843 243 P CB -0.694 31.133 31.700 0.212 0.000 0.787 244 G N 0.806 109.691 108.800 0.141 0.000 2.469 244 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 244 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 244 G C 1.792 176.739 174.900 0.078 0.000 1.150 244 G CA 1.117 46.281 45.100 0.107 0.000 0.763 244 G HN 0.415 nan 8.290 nan 0.000 0.561 245 A N -0.736 122.075 122.820 -0.015 0.000 2.119 245 A HA 0.218 4.538 4.320 0.000 0.000 0.217 245 A C 1.965 179.485 177.584 -0.106 0.000 1.153 245 A CA 0.831 52.803 52.037 -0.110 0.000 0.692 245 A CB -0.318 18.537 19.000 -0.240 0.000 0.799 245 A HN 0.406 nan 8.150 nan 0.000 0.458 246 Y N -1.154 119.214 120.300 0.114 0.000 2.482 246 Y HA 0.327 4.878 4.550 0.000 0.000 0.270 246 Y C 1.894 177.880 175.900 0.143 0.000 1.152 246 Y CA 0.170 58.342 58.100 0.120 0.000 1.292 246 Y CB 0.205 38.760 38.460 0.158 0.000 1.070 246 Y HN 0.426 nan 8.280 nan 0.000 0.528 247 G N -0.554 108.436 108.800 0.317 0.000 2.163 247 G HA2 -0.136 3.824 3.960 0.000 0.000 0.213 247 G HA3 -0.136 3.824 3.960 0.000 0.000 0.213 247 G C 0.388 175.569 174.900 0.467 0.000 0.991 247 G CA -0.269 45.037 45.100 0.343 0.000 0.653 247 G HN 0.549 nan 8.290 nan 0.000 0.518 248 A N 0.239 123.354 122.820 0.493 0.000 2.531 248 A HA 0.491 4.811 4.320 0.000 0.000 0.236 248 A C 1.144 178.938 177.584 0.350 0.000 1.062 248 A CA 1.076 53.422 52.037 0.514 0.000 0.760 248 A CB 0.268 19.456 19.000 0.313 0.000 0.995 248 A HN 0.269 nan 8.150 nan 0.000 0.501 249 D N 0.613 121.215 120.400 0.336 0.000 2.338 249 D HA 0.189 4.830 4.640 0.000 0.000 0.208 249 D C 0.038 176.493 176.300 0.258 0.000 0.997 249 D CA 1.093 55.308 54.000 0.358 0.000 0.880 249 D CB 0.337 41.403 40.800 0.443 0.000 0.980 249 D HN 0.538 nan 8.370 nan 0.000 0.509 250 I N 0.545 121.185 120.570 0.116 0.000 2.607 250 I HA 0.442 4.613 4.170 0.000 0.000 0.290 250 I C -1.117 174.991 176.117 -0.014 0.000 1.129 250 I CA -0.924 60.409 61.300 0.055 0.000 1.042 250 I CB 2.529 40.526 38.000 -0.004 0.000 1.242 250 I HN -0.242 nan 8.210 nan 0.000 0.421 251 A N 5.906 128.751 122.820 0.042 0.000 2.356 251 A HA 0.916 5.236 4.320 0.000 0.000 0.310 251 A C -0.797 176.812 177.584 0.041 0.000 1.075 251 A CA -0.577 51.498 52.037 0.063 0.000 0.746 251 A CB 1.675 20.781 19.000 0.178 0.000 1.221 251 A HN 0.656 nan 8.150 nan 0.000 0.443 252 V N -0.635 119.175 119.914 -0.173 0.000 3.130 252 V HA 1.077 5.197 4.120 0.000 0.000 0.310 252 V C 0.016 175.577 176.094 -0.888 0.000 1.158 252 V CA -0.077 61.858 62.300 -0.609 0.000 1.029 252 V CB 1.398 32.992 31.823 -0.381 0.000 1.057 252 V HN 2.179 nan 8.190 nan 0.000 0.436 253 G N 0.252 108.211 108.800 -1.402 0.000 2.356 253 G HA2 0.402 4.362 3.960 0.000 0.000 0.294 253 G HA3 0.402 4.362 3.960 0.000 0.000 0.294 253 G C -2.308 172.257 174.900 -0.558 0.000 1.423 253 G CA -0.367 44.282 45.100 -0.753 0.000 0.806 253 G HN 0.958 nan 8.290 nan 0.000 0.527 254 D N -0.543 119.752 120.400 -0.176 0.000 2.175 254 D HA 0.477 5.117 4.640 0.000 0.000 0.248 254 D C 1.213 177.342 176.300 -0.286 0.000 1.047 254 D CA 0.125 53.996 54.000 -0.215 0.000 0.883 254 D CB 1.884 42.643 40.800 -0.069 0.000 1.180 254 D HN 0.537 nan 8.370 nan 0.000 0.438 255 G N 2.118 110.481 108.800 -0.728 0.000 2.985 255 G HA2 -0.156 3.804 3.960 0.000 0.000 0.209 255 G HA3 -0.156 3.804 3.960 0.000 0.000 0.209 255 G C 1.127 175.811 174.900 -0.360 0.000 1.165 255 G CA -0.052 44.534 45.100 -0.856 0.000 0.776 255 G HN 0.458 nan 8.290 nan 0.000 0.541 256 Q N 2.004 121.590 119.800 -0.356 0.000 2.112 256 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 256 Q C 2.590 178.429 176.000 -0.270 0.000 0.987 256 Q CA 2.098 57.641 55.803 -0.433 0.000 0.858 256 Q CB -0.429 27.869 28.738 -0.732 0.000 0.905 256 Q HN 0.561 nan 8.270 nan 0.000 0.420 257 S N -0.393 115.182 115.700 -0.207 0.000 2.500 257 S HA -0.059 4.411 4.470 0.000 0.000 0.239 257 S C 1.314 175.654 174.600 -0.433 0.000 0.989 257 S CA 0.281 58.338 58.200 -0.238 0.000 0.951 257 S CB -0.361 62.743 63.200 -0.159 0.000 0.759 257 S HN 0.384 nan 8.310 nan 0.000 0.523 258 L N 2.224 123.208 121.223 -0.398 0.000 2.583 258 L HA 0.387 4.727 4.340 0.000 0.000 0.239 258 L C 1.467 177.650 176.870 -1.146 0.000 1.347 258 L CA 0.007 54.407 54.840 -0.732 0.000 1.246 258 L CB -0.895 41.060 42.059 -0.173 0.000 1.496 258 L HN 0.495 nan 8.230 nan 0.000 0.413 259 G N 0.546 108.651 108.800 -1.158 0.000 2.187 259 G HA2 -0.295 3.665 3.960 0.000 0.000 0.261 259 G HA3 -0.295 3.665 3.960 0.000 0.000 0.261 259 G C -0.032 174.737 174.900 -0.219 0.000 1.000 259 G CA -0.126 44.611 45.100 -0.605 0.000 0.718 259 G HN 0.297 nan 8.290 nan 0.000 0.519 260 L N 2.083 123.205 121.223 -0.168 0.000 2.326 260 L HA 0.462 4.802 4.340 0.000 0.000 0.278 260 L C -1.288 175.592 176.870 0.018 0.000 1.092 260 L CA -2.232 52.595 54.840 -0.023 0.000 0.810 260 L CB 0.689 42.775 42.059 0.044 0.000 1.153 260 L HN -0.044 nan 8.230 nan 0.000 0.439 261 P HA 0.041 nan 4.420 nan 0.000 0.265 261 P C 0.715 178.125 177.300 0.183 0.000 1.193 261 P CA -0.042 63.114 63.100 0.094 0.000 0.765 261 P CB 0.569 32.317 31.700 0.080 0.000 0.823 262 M N 2.124 121.809 119.600 0.142 0.000 2.108 262 M HA -0.104 4.376 4.480 0.000 0.000 0.261 262 M C 1.626 178.100 176.300 0.291 0.000 1.066 262 M CA 1.979 57.394 55.300 0.191 0.000 1.107 262 M CB -1.239 31.420 32.600 0.098 0.000 1.356 262 M HN 0.704 nan 8.290 nan 0.000 0.406 263 G N 0.516 109.428 108.800 0.187 0.000 2.379 263 G HA2 -0.301 3.660 3.960 0.000 0.000 0.297 263 G HA3 -0.301 3.660 3.960 0.000 0.000 0.297 263 G C 0.232 175.253 174.900 0.202 0.000 1.004 263 G CA 0.306 45.494 45.100 0.147 0.000 0.921 263 G HN 0.598 nan 8.290 nan 0.000 0.511 264 F N -1.716 118.248 119.950 0.024 0.000 3.100 264 F HA -0.200 4.327 4.527 0.000 0.000 0.284 264 F C 1.676 177.484 175.800 0.014 0.000 0.875 264 F CA 2.572 60.579 58.000 0.011 0.000 1.039 264 F CB -1.025 37.972 39.000 -0.005 0.000 1.111 264 F HN 1.897 nan 8.300 nan 0.000 0.575 265 G N -0.956 107.840 108.800 -0.008 0.000 2.184 265 G HA2 0.381 4.341 3.960 0.000 0.000 0.206 265 G HA3 0.381 4.341 3.960 0.000 0.000 0.206 265 G C 0.912 175.696 174.900 -0.193 0.000 0.995 265 G CA 0.432 45.487 45.100 -0.076 0.000 0.651 265 G HN 2.034 nan 8.290 nan 0.000 0.511 266 G N -0.599 107.997 108.800 -0.341 0.000 2.361 266 G HA2 0.676 4.636 3.960 0.000 0.000 0.299 266 G HA3 0.676 4.636 3.960 0.000 0.000 0.299 266 G C -3.137 171.577 174.900 -0.310 0.000 1.544 266 G CA 0.242 45.030 45.100 -0.519 0.000 0.860 266 G HN 0.659 nan 8.290 nan 0.000 0.610 267 P HA 0.650 nan 4.420 nan 0.000 0.283 267 P C -0.664 176.429 177.300 -0.345 0.000 1.271 267 P CA -0.205 62.725 63.100 -0.284 0.000 0.841 267 P CB 2.084 33.728 31.700 -0.092 0.000 1.122 268 H N -0.624 118.493 119.070 0.078 0.000 4.258 268 H HA 0.666 5.222 4.556 0.000 0.000 0.430 268 H C -0.720 174.759 175.328 0.252 0.000 1.305 268 H CA -0.485 55.640 56.048 0.129 0.000 0.912 268 H CB 0.865 30.638 29.762 0.018 0.000 0.937 268 H HN 0.499 nan 8.280 nan 0.000 0.783 269 F N -1.215 118.839 119.950 0.172 0.000 2.770 269 F HA 0.676 5.203 4.527 0.000 0.000 0.313 269 F C -1.043 174.815 175.800 0.097 0.000 1.154 269 F CA -0.888 57.169 58.000 0.095 0.000 0.923 269 F CB 0.951 39.978 39.000 0.045 0.000 1.301 269 F HN 0.567 nan 8.300 nan 0.000 0.449 270 G N 0.759 109.614 108.800 0.092 0.000 2.453 270 G HA2 0.687 4.647 3.960 0.000 0.000 0.323 270 G HA3 0.687 4.647 3.960 0.000 0.000 0.323 270 G C -2.008 173.009 174.900 0.195 0.000 1.198 270 G CA -0.919 44.131 45.100 -0.083 0.000 0.959 270 G HN 1.032 nan 8.290 nan 0.000 0.482 271 F N 0.179 120.175 119.950 0.077 0.000 2.546 271 F HA 0.839 5.366 4.527 0.000 0.000 0.320 271 F C -1.399 174.432 175.800 0.052 0.000 1.076 271 F CA -2.130 55.977 58.000 0.178 0.000 0.928 271 F CB 2.250 41.382 39.000 0.220 0.000 1.189 271 F HN 0.427 nan 8.300 nan 0.000 0.465 272 L N 3.460 124.840 121.223 0.262 0.000 2.446 272 L HA 0.861 5.202 4.340 0.000 0.000 0.268 272 L C -1.207 175.771 176.870 0.180 0.000 0.975 272 L CA -1.003 53.911 54.840 0.123 0.000 0.848 272 L CB 0.809 42.882 42.059 0.023 0.000 1.225 272 L HN 1.068 nan 8.230 nan 0.000 0.410 273 A N 3.128 126.071 122.820 0.206 0.000 2.340 273 A HA 0.945 5.265 4.320 0.000 0.000 0.331 273 A C -0.194 177.459 177.584 0.114 0.000 1.140 273 A CA -0.000 52.116 52.037 0.133 0.000 0.801 273 A CB 1.640 20.713 19.000 0.121 0.000 1.234 273 A HN 0.786 nan 8.150 nan 0.000 0.469 274 T N -0.119 114.496 114.554 0.102 0.000 2.649 274 T HA 0.471 4.821 4.350 0.000 0.000 0.305 274 T C -1.287 173.471 174.700 0.097 0.000 1.409 274 T CA -0.510 61.681 62.100 0.152 0.000 1.021 274 T CB 0.693 69.699 68.868 0.230 0.000 1.726 274 T HN 0.572 nan 8.240 nan 0.000 0.475 275 K N 1.710 122.163 120.400 0.089 0.000 2.144 275 K HA 0.437 4.758 4.320 0.000 0.000 0.270 275 K C 1.001 177.502 176.600 -0.166 0.000 1.005 275 K CA -0.336 55.862 56.287 -0.148 0.000 0.932 275 K CB 0.942 33.140 32.500 -0.502 0.000 1.021 275 K HN 0.515 nan 8.250 nan 0.000 0.462 276 K N 1.655 121.969 120.400 -0.145 0.000 2.209 276 K HA -0.117 4.204 4.320 0.000 0.000 0.204 276 K C 1.284 177.806 176.600 -0.129 0.000 1.048 276 K CA 1.387 57.620 56.287 -0.089 0.000 0.940 276 K CB 0.008 32.471 32.500 -0.062 0.000 0.729 276 K HN 0.660 nan 8.250 nan 0.000 0.451 277 A N 0.088 122.733 122.820 -0.292 0.000 2.172 277 A HA -0.073 4.247 4.320 0.000 0.000 0.216 277 A C 0.939 178.407 177.584 -0.193 0.000 1.154 277 A CA 0.855 52.709 52.037 -0.305 0.000 0.701 277 A CB -0.302 18.432 19.000 -0.444 0.000 0.789 277 A HN 0.312 nan 8.150 nan 0.000 0.465 278 F N -2.130 117.834 119.950 0.024 0.000 2.639 278 F HA 0.195 4.722 4.527 0.000 0.000 0.302 278 F C 1.742 177.558 175.800 0.026 0.000 1.097 278 F CA -0.895 57.120 58.000 0.026 0.000 1.294 278 F CB -0.708 38.308 39.000 0.028 0.000 1.027 278 F HN 0.044 nan 8.300 nan 0.000 0.550 279 V N 1.201 121.202 119.914 0.145 0.000 2.546 279 V HA -0.301 3.820 4.120 0.000 0.000 0.254 279 V C 2.724 178.879 176.094 0.101 0.000 1.076 279 V CA 2.164 64.528 62.300 0.106 0.000 1.087 279 V CB -0.328 31.534 31.823 0.065 0.000 0.674 279 V HN 0.419 nan 8.190 nan 0.000 0.470 280 R N -1.018 119.545 120.500 0.105 0.000 2.189 280 R HA -0.095 4.245 4.340 0.000 0.000 0.223 280 R C 1.913 178.260 176.300 0.079 0.000 1.092 280 R CA 1.238 57.389 56.100 0.084 0.000 0.989 280 R CB 0.001 30.348 30.300 0.078 0.000 0.876 280 R HN 0.526 nan 8.270 nan 0.000 0.457 281 Q N 0.248 120.104 119.800 0.093 0.000 2.356 281 Q HA 0.055 4.395 4.340 0.000 0.000 0.205 281 Q C 0.041 176.074 176.000 0.055 0.000 0.901 281 Q CA -0.128 55.712 55.803 0.062 0.000 0.938 281 Q CB 0.291 29.054 28.738 0.041 0.000 1.081 281 Q HN 0.167 nan 8.270 nan 0.000 0.517 282 L N 4.277 125.546 121.223 0.076 0.000 2.513 282 L HA 0.107 4.447 4.340 0.000 0.000 0.272 282 L C -2.310 174.588 176.870 0.047 0.000 1.187 282 L CA -0.887 53.992 54.840 0.065 0.000 0.895 282 L CB 0.415 42.522 42.059 0.081 0.000 1.147 282 L HN -0.078 nan 8.230 nan 0.000 0.483 283 P HA 0.582 nan 4.420 nan 0.000 0.287 283 P C -0.321 176.987 177.300 0.013 0.000 1.279 283 P CA 0.021 63.132 63.100 0.018 0.000 0.867 283 P CB 1.772 33.471 31.700 -0.003 0.000 1.127 284 G N 0.903 109.711 108.800 0.013 0.000 2.660 284 G HA2 -0.138 3.822 3.960 0.000 0.000 0.247 284 G HA3 -0.138 3.822 3.960 0.000 0.000 0.247 284 G C -0.865 174.057 174.900 0.036 0.000 1.328 284 G CA -0.838 44.267 45.100 0.008 0.000 0.884 284 G HN 0.669 nan 8.290 nan 0.000 0.531 285 R N -0.997 119.521 120.500 0.029 0.000 2.490 285 R HA 0.684 5.024 4.340 0.000 0.000 0.278 285 R C -0.115 176.222 176.300 0.061 0.000 1.069 285 R CA -0.387 55.738 56.100 0.042 0.000 1.080 285 R CB 0.852 31.154 30.300 0.004 0.000 1.030 285 R HN 0.465 nan 8.270 nan 0.000 0.491 286 L N 2.322 123.591 121.223 0.077 0.000 2.436 286 L HA 0.422 4.762 4.340 0.000 0.000 0.268 286 L C -1.102 175.842 176.870 0.123 0.000 0.974 286 L CA -0.980 53.919 54.840 0.099 0.000 0.826 286 L CB 2.402 44.519 42.059 0.097 0.000 1.291 286 L HN 0.335 nan 8.230 nan 0.000 0.406 287 V N 2.224 122.238 119.914 0.166 0.000 2.483 287 V HA 0.532 4.652 4.120 0.000 0.000 0.295 287 V C 0.004 176.298 176.094 0.333 0.000 1.035 287 V CA -0.321 62.116 62.300 0.228 0.000 0.896 287 V CB 1.846 33.820 31.823 0.251 0.000 0.986 287 V HN 0.774 nan 8.190 nan 0.000 0.447 288 S N 2.715 118.581 115.700 0.277 0.000 2.568 288 S HA 0.509 4.979 4.470 0.000 0.000 0.293 288 S C -0.608 174.068 174.600 0.127 0.000 1.089 288 S CA -0.656 57.696 58.200 0.252 0.000 0.945 288 S CB 1.732 65.019 63.200 0.144 0.000 1.077 288 S HN 0.863 nan 8.310 nan 0.000 0.485 289 E N 1.140 121.334 120.200 -0.011 0.000 2.373 289 E HA 0.498 4.849 4.350 0.000 0.000 0.263 289 E C -0.216 176.226 176.600 -0.264 0.000 1.073 289 E CA -0.069 56.109 56.400 -0.370 0.000 0.894 289 E CB 1.101 30.573 29.700 -0.378 0.000 1.008 289 E HN 0.639 nan 8.360 nan 0.000 0.420 290 T N 1.379 115.701 114.554 -0.387 0.000 2.647 290 T HA 0.421 4.771 4.350 0.000 0.000 0.302 290 T C -1.887 172.661 174.700 -0.255 0.000 1.389 290 T CA -0.357 61.606 62.100 -0.229 0.000 1.037 290 T CB 1.220 70.003 68.868 -0.142 0.000 1.755 290 T HN 0.304 nan 8.240 nan 0.000 0.467 291 V N 1.788 121.603 119.914 -0.165 0.000 3.114 291 V HA 0.680 4.800 4.120 0.000 0.000 0.308 291 V C -1.506 174.527 176.094 -0.101 0.000 1.168 291 V CA -0.511 61.703 62.300 -0.143 0.000 1.015 291 V CB 2.120 33.879 31.823 -0.107 0.000 1.050 291 V HN 1.100 nan 8.190 nan 0.000 0.433 292 D N 3.026 123.374 120.400 -0.087 0.000 2.437 292 D HA 0.151 4.791 4.640 0.000 0.000 0.259 292 D C 1.117 177.391 176.300 -0.044 0.000 1.118 292 D CA 0.127 54.092 54.000 -0.058 0.000 1.017 292 D CB 1.636 42.404 40.800 -0.052 0.000 1.120 292 D HN 0.370 nan 8.370 nan 0.000 0.541 293 V N 0.169 120.064 119.914 -0.031 0.000 2.660 293 V HA -0.211 3.909 4.120 0.000 0.000 0.257 293 V C 1.536 177.615 176.094 -0.024 0.000 1.088 293 V CA 2.061 64.346 62.300 -0.024 0.000 1.106 293 V CB -0.599 31.214 31.823 -0.017 0.000 0.686 293 V HN 0.567 nan 8.190 nan 0.000 0.481 294 E N -0.959 119.224 120.200 -0.027 0.000 2.474 294 E HA 0.272 4.622 4.350 0.000 0.000 0.195 294 E C 1.429 178.011 176.600 -0.030 0.000 1.039 294 E CA 0.511 56.896 56.400 -0.025 0.000 0.881 294 E CB 0.401 30.087 29.700 -0.022 0.000 0.970 294 E HN 0.722 nan 8.360 nan 0.000 0.486 295 G N 2.091 110.868 108.800 -0.038 0.000 2.157 295 G HA2 -0.285 3.675 3.960 0.000 0.000 0.239 295 G HA3 -0.285 3.675 3.960 0.000 0.000 0.239 295 G C 0.204 175.070 174.900 -0.057 0.000 0.982 295 G CA -0.245 44.828 45.100 -0.045 0.000 0.650 295 G HN 0.131 nan 8.290 nan 0.000 0.527 296 R N 0.235 120.699 120.500 -0.060 0.000 2.441 296 R HA 0.461 4.802 4.340 0.000 0.000 0.284 296 R C 0.979 177.208 176.300 -0.118 0.000 1.070 296 R CA -0.640 55.417 56.100 -0.072 0.000 1.047 296 R CB 0.644 30.912 30.300 -0.054 0.000 1.016 296 R HN 0.340 nan 8.270 nan 0.000 0.477 297 R N 0.848 121.262 120.500 -0.143 0.000 2.570 297 R HA 0.166 4.506 4.340 0.000 0.000 0.277 297 R C -0.382 175.716 176.300 -0.337 0.000 1.039 297 R CA 0.460 56.402 56.100 -0.262 0.000 1.065 297 R CB 0.524 30.677 30.300 -0.246 0.000 0.964 297 R HN 0.805 nan 8.270 nan 0.000 0.428 298 G N 2.317 110.791 108.800 -0.543 0.000 2.708 298 G HA2 0.615 4.575 3.960 0.000 0.000 0.289 298 G HA3 0.615 4.575 3.960 0.000 0.000 0.289 298 G C -1.812 172.579 174.900 -0.849 0.000 1.416 298 G CA -0.683 44.127 45.100 -0.484 0.000 0.829 298 G HN 0.419 nan 8.290 nan 0.000 0.480 299 F N -0.438 119.448 119.950 -0.105 0.000 2.588 299 F HA 0.788 5.315 4.527 0.000 0.000 0.310 299 F C -0.010 175.761 175.800 -0.047 0.000 1.082 299 F CA -0.794 57.135 58.000 -0.120 0.000 0.929 299 F CB 2.636 41.553 39.000 -0.138 0.000 1.254 299 F HN 0.460 nan 8.300 nan 0.000 0.455 300 I N 2.078 122.739 120.570 0.151 0.000 3.004 300 I HA 0.376 4.546 4.170 0.000 0.000 0.305 300 I C -1.701 174.484 176.117 0.113 0.000 1.312 300 I CA -0.958 60.404 61.300 0.104 0.000 0.992 300 I CB 1.644 39.680 38.000 0.059 0.000 1.282 300 I HN 0.248 nan 8.210 nan 0.000 0.449 301 L N 3.583 124.864 121.223 0.097 0.000 2.416 301 L HA 0.346 4.686 4.340 0.000 0.000 0.272 301 L C 0.331 177.265 176.870 0.106 0.000 1.161 301 L CA 0.632 55.532 54.840 0.101 0.000 0.845 301 L CB 0.283 42.405 42.059 0.104 0.000 1.119 301 L HN 0.687 nan 8.230 nan 0.000 0.464 302 T N 2.693 117.311 114.554 0.106 0.000 2.864 302 T HA 0.537 4.887 4.350 0.000 0.000 0.289 302 T C 0.261 175.017 174.700 0.092 0.000 1.082 302 T CA -0.622 61.535 62.100 0.095 0.000 1.009 302 T CB 0.775 69.699 68.868 0.092 0.000 1.234 302 T HN 0.509 nan 8.240 nan 0.000 0.526 303 L N 1.972 123.244 121.223 0.081 0.000 3.854 303 L HA -0.201 4.139 4.340 0.000 0.000 0.460 303 L C 1.235 178.155 176.870 0.084 0.000 1.228 303 L CA 0.414 55.299 54.840 0.076 0.000 0.760 303 L CB -1.008 41.094 42.059 0.072 0.000 1.597 303 L HN 0.795 nan 8.230 nan 0.000 0.852 304 Q N -0.182 119.675 119.800 0.095 0.000 2.466 304 Q HA 0.034 4.374 4.340 0.000 0.000 0.210 304 Q C 2.017 178.078 176.000 0.103 0.000 0.961 304 Q CA 0.655 56.526 55.803 0.113 0.000 0.953 304 Q CB 0.257 29.081 28.738 0.142 0.000 1.011 304 Q HN 0.783 nan 8.270 nan 0.000 0.516 305 A N 0.625 123.492 122.820 0.078 0.000 2.167 305 A HA -0.082 4.238 4.320 0.000 0.000 0.214 305 A C 1.743 179.360 177.584 0.055 0.000 1.151 305 A CA 0.456 52.528 52.037 0.059 0.000 0.735 305 A CB 0.012 19.040 19.000 0.046 0.000 0.802 305 A HN 0.222 nan 8.150 nan 0.000 0.467 306 R N 0.202 120.741 120.500 0.064 0.000 2.275 306 R HA 0.084 4.424 4.340 0.000 0.000 0.199 306 R C 0.007 176.344 176.300 0.063 0.000 0.989 306 R CA 0.480 56.615 56.100 0.059 0.000 1.016 306 R CB 0.115 30.452 30.300 0.061 0.000 0.918 306 R HN 0.624 nan 8.270 nan 0.000 0.473 307 E N 0.207 120.455 120.200 0.080 0.000 2.254 307 E HA 0.014 4.364 4.350 0.000 0.000 0.258 307 E C 0.415 177.070 176.600 0.092 0.000 1.033 307 E CA -0.518 55.938 56.400 0.093 0.000 0.893 307 E CB 0.888 30.662 29.700 0.124 0.000 1.204 307 E HN -0.036 nan 8.360 nan 0.000 0.425 308 Q N 0.141 120.003 119.800 0.104 0.000 2.170 308 Q HA -0.258 4.082 4.340 0.000 0.000 0.203 308 Q C 1.729 177.785 176.000 0.094 0.000 0.976 308 Q CA 1.646 57.504 55.803 0.091 0.000 0.858 308 Q CB -0.589 28.209 28.738 0.100 0.000 0.907 308 Q HN 0.711 nan 8.270 nan 0.000 0.433 309 Y N 0.597 120.917 120.300 0.033 0.000 2.181 309 Y HA -0.088 4.462 4.550 0.000 0.000 0.288 309 Y C 1.694 177.596 175.900 0.004 0.000 1.146 309 Y CA 1.617 59.722 58.100 0.008 0.000 1.164 309 Y CB -0.003 38.443 38.460 -0.023 0.000 0.982 309 Y HN 0.155 nan 8.280 nan 0.000 0.515 310 I N -0.959 119.550 120.570 -0.102 0.000 2.429 310 I HA -0.071 4.099 4.170 0.000 0.000 0.247 310 I C 2.172 178.223 176.117 -0.111 0.000 1.099 310 I CA 0.805 62.002 61.300 -0.171 0.000 1.422 310 I CB -0.129 37.878 38.000 0.012 0.000 1.112 310 I HN -0.047 nan 8.210 nan 0.000 0.430 311 R N 0.503 120.981 120.500 -0.037 0.000 2.280 311 R HA 0.117 4.457 4.340 0.000 0.000 0.195 311 R C 1.180 177.465 176.300 -0.025 0.000 0.935 311 R CA 0.212 56.298 56.100 -0.023 0.000 1.033 311 R CB 0.047 30.352 30.300 0.008 0.000 0.964 311 R HN 0.105 nan 8.270 nan 0.000 0.489 312 R N -1.588 118.895 120.500 -0.028 0.000 3.773 312 R HA -0.368 3.972 4.340 0.000 0.000 0.455 312 R C 1.613 177.913 176.300 -0.000 0.000 0.245 312 R CA 2.160 58.249 56.100 -0.018 0.000 1.424 312 R CB -1.870 28.404 30.300 -0.044 0.000 0.912 312 R HN 0.298 nan 8.270 nan 0.000 0.591 313 A N 0.858 123.674 122.820 -0.006 0.000 1.978 313 A HA -0.157 4.163 4.320 0.000 0.000 0.220 313 A C 1.625 179.212 177.584 0.005 0.000 1.170 313 A CA 1.997 54.034 52.037 0.000 0.000 0.636 313 A CB -0.346 18.651 19.000 -0.004 0.000 0.810 313 A HN 0.450 nan 8.150 nan 0.000 0.448 314 K N -0.060 120.342 120.400 0.004 0.000 2.437 314 K HA 0.390 4.710 4.320 0.000 0.000 0.198 314 K C 0.489 177.099 176.600 0.016 0.000 1.024 314 K CA 0.140 56.432 56.287 0.009 0.000 1.148 314 K CB 0.064 32.568 32.500 0.006 0.000 0.860 314 K HN 0.442 nan 8.250 nan 0.000 0.515 315 A N 1.634 124.466 122.820 0.020 0.000 2.520 315 A HA -0.006 4.314 4.320 0.000 0.000 0.235 315 A C 0.953 178.557 177.584 0.034 0.000 1.065 315 A CA -0.003 52.053 52.037 0.031 0.000 0.764 315 A CB 0.392 19.416 19.000 0.040 0.000 1.002 315 A HN 0.059 nan 8.150 nan 0.000 0.502 316 K N 0.266 120.688 120.400 0.037 0.000 2.362 316 K HA 0.030 4.351 4.320 0.000 0.000 0.200 316 K C 0.598 177.220 176.600 0.037 0.000 1.046 316 K CA 1.225 57.533 56.287 0.034 0.000 0.952 316 K CB -0.358 32.163 32.500 0.035 0.000 0.753 316 K HN 0.647 nan 8.250 nan 0.000 0.466 317 S N -0.049 115.677 115.700 0.043 0.000 2.595 317 S HA 0.158 4.628 4.470 0.000 0.000 0.270 317 S C -0.373 174.262 174.600 0.059 0.000 1.145 317 S CA -0.612 57.618 58.200 0.051 0.000 0.825 317 S CB 0.716 63.936 63.200 0.034 0.000 1.107 317 S HN 0.224 nan 8.310 nan 0.000 0.461 318 N N 2.086 120.831 118.700 0.074 0.000 2.353 318 N HA 0.070 4.811 4.740 0.000 0.000 0.185 318 N C 0.676 176.248 175.510 0.104 0.000 1.098 318 N CA -0.108 52.992 53.050 0.083 0.000 0.872 318 N CB -0.375 38.160 38.487 0.080 0.000 0.970 318 N HN 0.704 nan 8.380 nan 0.000 0.467 319 I N 1.468 122.091 120.570 0.088 0.000 2.828 319 I HA -0.152 4.018 4.170 0.000 0.000 0.292 319 I C 0.251 176.424 176.117 0.094 0.000 1.206 319 I CA 0.591 61.939 61.300 0.080 0.000 1.420 319 I CB 0.556 38.506 38.000 -0.084 0.000 1.368 319 I HN 0.103 nan 8.210 nan 0.000 0.556 320 T N 4.624 119.263 114.554 0.141 0.000 3.556 320 T HA 0.073 4.424 4.350 0.000 0.000 0.204 320 T C 0.425 175.195 174.700 0.117 0.000 0.896 320 T CA -0.039 62.145 62.100 0.140 0.000 1.380 320 T CB 0.069 69.036 68.868 0.165 0.000 1.584 320 T HN 0.566 nan 8.240 nan 0.000 0.411 321 T N 4.197 118.840 114.554 0.149 0.000 2.902 321 T HA 0.179 4.529 4.350 0.000 0.000 0.301 321 T C 0.634 175.440 174.700 0.176 0.000 1.012 321 T CA -0.296 61.878 62.100 0.123 0.000 1.151 321 T CB 0.277 69.228 68.868 0.140 0.000 0.946 321 T HN 0.499 nan 8.240 nan 0.000 0.542 322 N N 2.496 121.243 118.700 0.079 0.000 2.625 322 N HA 0.556 5.296 4.740 0.000 0.000 0.276 322 N C -0.220 175.361 175.510 0.119 0.000 1.326 322 N CA -0.470 52.620 53.050 0.065 0.000 0.816 322 N CB 0.128 38.589 38.487 -0.044 0.000 1.213 322 N HN 0.523 nan 8.380 nan 0.000 0.393 323 A N -1.312 121.526 122.820 0.031 0.000 3.045 323 A HA 0.299 4.619 4.320 0.000 0.000 0.244 323 A C 0.818 178.330 177.584 -0.121 0.000 0.917 323 A CA -0.298 51.757 52.037 0.031 0.000 1.075 323 A CB -0.033 19.053 19.000 0.144 0.000 1.202 323 A HN 0.391 nan 8.150 nan 0.000 0.486 324 Q N -0.143 119.562 119.800 -0.158 0.000 2.045 324 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 324 Q C 1.766 177.592 176.000 -0.290 0.000 0.991 324 Q CA 2.394 58.042 55.803 -0.258 0.000 0.851 324 Q CB -0.318 28.302 28.738 -0.197 0.000 0.911 324 Q HN 0.704 nan 8.270 nan 0.000 0.418 325 L N -0.105 121.008 121.223 -0.183 0.000 2.012 325 L HA -0.180 4.160 4.340 0.000 0.000 0.210 325 L C 2.173 178.912 176.870 -0.218 0.000 1.073 325 L CA 2.655 57.392 54.840 -0.171 0.000 0.748 325 L CB -1.174 40.837 42.059 -0.079 0.000 0.891 325 L HN 0.542 nan 8.230 nan 0.000 0.431 326 T N -3.133 111.315 114.554 -0.178 0.000 2.867 326 T HA -0.029 4.321 4.350 0.000 0.000 0.268 326 T C 1.873 176.263 174.700 -0.516 0.000 1.057 326 T CA 0.824 62.840 62.100 -0.140 0.000 1.136 326 T CB -0.789 68.140 68.868 0.102 0.000 0.874 326 T HN 0.359 nan 8.240 nan 0.000 0.466 327 A N 1.260 123.540 122.820 -0.899 0.000 1.969 327 A HA 0.197 4.517 4.320 0.000 0.000 0.218 327 A C 2.214 179.202 177.584 -0.992 0.000 1.169 327 A CA 0.854 51.876 52.037 -1.692 0.000 0.635 327 A CB -0.741 17.247 19.000 -1.686 0.000 0.810 327 A HN 0.397 nan 8.150 nan 0.000 0.445 328 L N -0.747 120.094 121.223 -0.637 0.000 2.141 328 L HA -0.055 4.285 4.340 0.000 0.000 0.209 328 L C 2.625 179.315 176.870 -0.300 0.000 1.094 328 L CA 1.581 56.164 54.840 -0.428 0.000 0.763 328 L CB -0.646 41.148 42.059 -0.442 0.000 0.908 328 L HN 0.392 nan 8.230 nan 0.000 0.437 329 M N -1.578 117.865 119.600 -0.262 0.000 2.159 329 M HA -0.120 4.360 4.480 0.000 0.000 0.263 329 M C 2.203 178.489 176.300 -0.024 0.000 1.063 329 M CA 1.713 56.942 55.300 -0.118 0.000 1.110 329 M CB -0.919 31.644 32.600 -0.062 0.000 1.374 329 M HN 0.365 nan 8.290 nan 0.000 0.411 330 G N -0.036 108.728 108.800 -0.059 0.000 2.402 330 G HA2 -0.104 3.856 3.960 0.000 0.000 0.216 330 G HA3 -0.104 3.856 3.960 0.000 0.000 0.216 330 G C 1.634 176.625 174.900 0.152 0.000 1.162 330 G CA 0.910 46.093 45.100 0.140 0.000 0.777 330 G HN 0.528 nan 8.290 nan 0.000 0.539 331 A N 0.689 123.543 122.820 0.057 0.000 1.902 331 A HA 0.040 4.360 4.320 0.000 0.000 0.217 331 A C 2.458 180.056 177.584 0.023 0.000 1.181 331 A CA 1.773 53.847 52.037 0.062 0.000 0.623 331 A CB -0.349 18.677 19.000 0.043 0.000 0.818 331 A HN 0.388 nan 8.150 nan 0.000 0.443 332 M N -2.416 117.179 119.600 -0.007 0.000 2.175 332 M HA -0.111 4.369 4.480 0.000 0.000 0.264 332 M C 2.236 178.562 176.300 0.044 0.000 1.063 332 M CA 1.817 57.110 55.300 -0.012 0.000 1.119 332 M CB -0.480 32.093 32.600 -0.045 0.000 1.377 332 M HN 0.597 nan 8.290 nan 0.000 0.415 333 Y N 1.092 121.378 120.300 -0.024 0.000 2.114 333 Y HA -0.242 4.308 4.550 0.000 0.000 0.284 333 Y C 2.017 177.915 175.900 -0.004 0.000 1.143 333 Y CA 1.461 59.558 58.100 -0.005 0.000 1.135 333 Y CB -0.145 38.322 38.460 0.012 0.000 0.980 333 Y HN -0.001 nan 8.280 nan 0.000 0.499 334 L N 0.255 121.565 121.223 0.145 0.000 2.079 334 L HA -0.197 4.143 4.340 0.000 0.000 0.210 334 L C 2.623 179.461 176.870 -0.054 0.000 1.081 334 L CA 1.999 56.862 54.840 0.039 0.000 0.752 334 L CB -1.793 40.300 42.059 0.058 0.000 0.896 334 L HN 0.404 nan 8.230 nan 0.000 0.433 335 A N -1.123 121.672 122.820 -0.041 0.000 1.897 335 A HA -0.028 4.292 4.320 0.000 0.000 0.215 335 A C 2.469 180.008 177.584 -0.074 0.000 1.181 335 A CA 1.430 53.436 52.037 -0.051 0.000 0.620 335 A CB -0.728 18.251 19.000 -0.034 0.000 0.821 335 A HN 0.374 nan 8.150 nan 0.000 0.443 336 A N -0.621 122.139 122.820 -0.100 0.000 1.933 336 A HA -0.002 4.318 4.320 0.000 0.000 0.218 336 A C 2.005 179.497 177.584 -0.153 0.000 1.175 336 A CA 1.578 53.547 52.037 -0.115 0.000 0.628 336 A CB -0.356 18.570 19.000 -0.123 0.000 0.814 336 A HN 0.378 nan 8.150 nan 0.000 0.444 337 L N -1.695 119.384 121.223 -0.240 0.000 2.162 337 L HA 0.202 4.542 4.340 0.000 0.000 0.205 337 L C 1.539 178.335 176.870 -0.123 0.000 1.086 337 L CA 1.771 56.478 54.840 -0.221 0.000 0.778 337 L CB -2.110 39.741 42.059 -0.347 0.000 0.928 337 L HN 0.665 nan 8.230 nan 0.000 0.446 338 G N -0.046 108.693 108.800 -0.102 0.000 2.829 338 G HA2 -0.204 3.756 3.960 0.000 0.000 0.628 338 G HA3 -0.204 3.756 3.960 0.000 0.000 0.628 338 G C -1.699 173.169 174.900 -0.053 0.000 1.412 338 G CA -0.108 44.954 45.100 -0.064 0.000 0.864 338 G HN 0.133 nan 8.290 nan 0.000 0.544 339 P HA -0.059 nan 4.420 nan 0.000 0.216 339 P C 1.289 178.577 177.300 -0.020 0.000 1.153 339 P CA 1.898 64.981 63.100 -0.028 0.000 0.848 339 P CB 0.181 31.866 31.700 -0.026 0.000 0.787 340 E N 0.540 120.727 120.200 -0.022 0.000 2.107 340 E HA -0.061 4.289 4.350 0.000 0.000 0.191 340 E C 2.304 178.894 176.600 -0.017 0.000 0.982 340 E CA 1.685 58.076 56.400 -0.015 0.000 0.809 340 E CB -1.405 28.286 29.700 -0.015 0.000 0.756 340 E HN 0.185 nan 8.360 nan 0.000 0.459 341 G N 0.714 109.494 108.800 -0.033 0.000 2.418 341 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 341 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 341 G C 1.507 176.387 174.900 -0.034 0.000 1.158 341 G CA 0.894 45.968 45.100 -0.043 0.000 0.771 341 G HN 0.346 nan 8.290 nan 0.000 0.545 342 L N 0.646 121.849 121.223 -0.034 0.000 2.017 342 L HA 0.071 4.411 4.340 0.000 0.000 0.208 342 L C 2.762 179.659 176.870 0.044 0.000 1.073 342 L CA 2.198 57.043 54.840 0.008 0.000 0.745 342 L CB -0.580 41.488 42.059 0.015 0.000 0.894 342 L HN 0.257 nan 8.230 nan 0.000 0.432 343 R N -0.496 120.022 120.500 0.031 0.000 2.091 343 R HA -0.188 4.152 4.340 0.000 0.000 0.238 343 R C 2.134 178.458 176.300 0.040 0.000 1.136 343 R CA 1.859 57.986 56.100 0.045 0.000 0.959 343 R CB -0.222 30.094 30.300 0.028 0.000 0.856 343 R HN 0.534 nan 8.270 nan 0.000 0.437 344 E N -0.335 119.879 120.200 0.023 0.000 2.051 344 E HA -0.173 4.177 4.350 0.000 0.000 0.192 344 E C 2.014 178.635 176.600 0.034 0.000 0.991 344 E CA 1.615 58.026 56.400 0.019 0.000 0.799 344 E CB 0.016 29.721 29.700 0.007 0.000 0.748 344 E HN 0.176 nan 8.360 nan 0.000 0.449 345 V N 1.427 121.373 119.914 0.053 0.000 2.295 345 V HA -0.281 3.839 4.120 0.000 0.000 0.246 345 V C 2.341 178.493 176.094 0.096 0.000 1.049 345 V CA 1.872 64.226 62.300 0.090 0.000 1.024 345 V CB -0.746 31.154 31.823 0.128 0.000 0.648 345 V HN 0.318 nan 8.190 nan 0.000 0.447 346 A N -0.289 122.590 122.820 0.098 0.000 1.877 346 A HA -0.167 4.153 4.320 0.000 0.000 0.216 346 A C 2.225 179.798 177.584 -0.018 0.000 1.186 346 A CA 1.855 53.960 52.037 0.112 0.000 0.620 346 A CB -0.589 18.544 19.000 0.222 0.000 0.822 346 A HN 0.489 nan 8.150 nan 0.000 0.443 347 L N -1.101 120.116 121.223 -0.010 0.000 2.083 347 L HA -0.181 4.159 4.340 0.000 0.000 0.209 347 L C 2.613 179.431 176.870 -0.086 0.000 1.083 347 L CA 1.716 56.511 54.840 -0.076 0.000 0.752 347 L CB -0.325 41.713 42.059 -0.034 0.000 0.899 347 L HN 0.330 nan 8.230 nan 0.000 0.433 348 K N 0.495 120.882 120.400 -0.022 0.000 2.057 348 K HA -0.145 4.175 4.320 0.000 0.000 0.206 348 K C 2.309 178.921 176.600 0.021 0.000 1.050 348 K CA 1.811 58.101 56.287 0.005 0.000 0.935 348 K CB -0.311 32.212 32.500 0.038 0.000 0.715 348 K HN 0.332 nan 8.250 nan 0.000 0.439 349 S N -0.695 115.028 115.700 0.037 0.000 2.402 349 S HA -0.090 4.380 4.470 0.000 0.000 0.229 349 S C 2.051 176.657 174.600 0.010 0.000 1.021 349 S CA 1.193 59.440 58.200 0.079 0.000 0.974 349 S CB -0.623 62.677 63.200 0.166 0.000 0.800 349 S HN 0.038 nan 8.310 nan 0.000 0.484 350 V N 2.370 122.179 119.914 -0.175 0.000 2.358 350 V HA -0.152 3.968 4.120 0.000 0.000 0.246 350 V C 2.844 178.835 176.094 -0.172 0.000 1.047 350 V CA 2.159 64.286 62.300 -0.288 0.000 1.035 350 V CB -0.816 30.645 31.823 -0.605 0.000 0.658 350 V HN 0.655 nan 8.190 nan 0.000 0.452 351 E N -0.234 119.873 120.200 -0.156 0.000 2.031 351 E HA -0.248 4.102 4.350 0.000 0.000 0.193 351 E C 2.302 178.938 176.600 0.060 0.000 0.994 351 E CA 1.538 57.879 56.400 -0.100 0.000 0.800 351 E CB -0.081 29.580 29.700 -0.065 0.000 0.752 351 E HN 0.353 nan 8.360 nan 0.000 0.447 352 M N 0.575 120.240 119.600 0.108 0.000 2.159 352 M HA -0.090 4.390 4.480 0.000 0.000 0.263 352 M C 2.425 178.880 176.300 0.257 0.000 1.063 352 M CA 1.478 56.883 55.300 0.176 0.000 1.110 352 M CB -1.332 31.395 32.600 0.211 0.000 1.374 352 M HN 0.246 nan 8.290 nan 0.000 0.411 353 A N -0.608 122.409 122.820 0.329 0.000 1.902 353 A HA -0.197 4.123 4.320 0.000 0.000 0.217 353 A C 1.942 179.886 177.584 0.600 0.000 1.181 353 A CA 1.854 54.204 52.037 0.522 0.000 0.623 353 A CB -0.985 18.360 19.000 0.574 0.000 0.818 353 A HN 0.477 nan 8.150 nan 0.000 0.443 354 H N -0.215 119.012 119.070 0.262 0.000 2.357 354 H HA 0.005 4.561 4.556 0.000 0.000 0.301 354 H C 2.025 177.414 175.328 0.102 0.000 1.082 354 H CA 1.697 57.829 56.048 0.140 0.000 1.342 354 H CB -0.106 29.617 29.762 -0.064 0.000 1.389 354 H HN 0.493 nan 8.280 nan 0.000 0.511 355 K N -0.206 120.322 120.400 0.214 0.000 2.057 355 K HA -0.115 4.205 4.320 0.000 0.000 0.207 355 K C 2.013 178.663 176.600 0.083 0.000 1.049 355 K CA 1.039 57.396 56.287 0.117 0.000 0.931 355 K CB -0.199 32.358 32.500 0.094 0.000 0.714 355 K HN 0.079 nan 8.250 nan 0.000 0.440 356 L N 1.030 122.329 121.223 0.127 0.000 2.027 356 L HA -0.199 4.141 4.340 0.000 0.000 0.206 356 L C 2.426 179.296 176.870 0.000 0.000 1.074 356 L CA 1.861 56.737 54.840 0.060 0.000 0.745 356 L CB -0.724 41.417 42.059 0.137 0.000 0.898 356 L HN 0.313 nan 8.230 nan 0.000 0.433 357 H N 0.021 118.982 119.070 -0.182 0.000 2.289 357 H HA -0.196 4.360 4.556 0.000 0.000 0.296 357 H C 1.914 177.041 175.328 -0.336 0.000 1.091 357 H CA 2.007 57.653 56.048 -0.671 0.000 1.274 357 H CB -0.060 29.088 29.762 -1.023 0.000 1.364 357 H HN 0.464 nan 8.280 nan 0.000 0.490 358 A N 1.165 124.003 122.820 0.030 0.000 1.940 358 A HA -0.119 4.201 4.320 0.000 0.000 0.219 358 A C 2.988 180.519 177.584 -0.089 0.000 1.176 358 A CA 1.502 53.545 52.037 0.009 0.000 0.631 358 A CB -0.857 18.168 19.000 0.041 0.000 0.814 358 A HN 0.449 nan 8.150 nan 0.000 0.446 359 L N -1.320 119.843 121.223 -0.100 0.000 2.072 359 L HA -0.124 4.216 4.340 0.000 0.000 0.205 359 L C 2.307 179.069 176.870 -0.180 0.000 1.079 359 L CA 0.534 55.301 54.840 -0.121 0.000 0.752 359 L CB -0.430 41.562 42.059 -0.113 0.000 0.906 359 L HN 0.267 nan 8.230 nan 0.000 0.436 360 L N -0.700 120.372 121.223 -0.252 0.000 2.191 360 L HA -0.182 4.158 4.340 0.000 0.000 0.212 360 L C 2.228 178.928 176.870 -0.283 0.000 1.103 360 L CA 1.349 56.003 54.840 -0.309 0.000 0.769 360 L CB -0.797 41.011 42.059 -0.418 0.000 0.908 360 L HN 0.152 nan 8.230 nan 0.000 0.438 361 L N -0.651 120.394 121.223 -0.298 0.000 2.265 361 L HA -0.174 4.166 4.340 0.000 0.000 0.215 361 L C 2.284 179.062 176.870 -0.153 0.000 1.117 361 L CA 1.381 56.075 54.840 -0.243 0.000 0.782 361 L CB -0.668 41.255 42.059 -0.227 0.000 0.914 361 L HN 0.387 nan 8.230 nan 0.000 0.441 362 E N -1.417 118.701 120.200 -0.138 0.000 2.435 362 E HA 0.014 4.364 4.350 0.000 0.000 0.195 362 E C 0.393 176.934 176.600 -0.099 0.000 1.029 362 E CA -0.152 56.187 56.400 -0.101 0.000 0.865 362 E CB 0.276 29.923 29.700 -0.088 0.000 0.833 362 E HN 0.161 nan 8.360 nan 0.000 0.510 363 V N 4.618 124.459 119.914 -0.122 0.000 2.529 363 V HA 0.029 4.149 4.120 0.000 0.000 0.292 363 V C -1.935 174.108 176.094 -0.085 0.000 1.028 363 V CA -1.319 60.915 62.300 -0.109 0.000 1.074 363 V CB 0.184 31.926 31.823 -0.136 0.000 0.958 363 V HN 0.079 nan 8.190 nan 0.000 0.481 364 P HA 0.071 nan 4.420 nan 0.000 0.261 364 P C 0.951 178.224 177.300 -0.045 0.000 1.183 364 P CA 1.321 64.391 63.100 -0.050 0.000 0.761 364 P CB 0.593 32.268 31.700 -0.042 0.000 0.785 365 G N 1.918 110.696 108.800 -0.038 0.000 2.225 365 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 365 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 365 G C 0.081 174.962 174.900 -0.030 0.000 0.988 365 G CA 0.006 45.089 45.100 -0.028 0.000 0.625 365 G HN 0.554 nan 8.290 nan 0.000 0.527 366 V N 0.990 120.874 119.914 -0.049 0.000 2.555 366 V HA 0.648 4.768 4.120 0.000 0.000 0.286 366 V C 0.756 176.818 176.094 -0.054 0.000 1.044 366 V CA 0.104 62.370 62.300 -0.057 0.000 1.026 366 V CB 1.372 33.134 31.823 -0.102 0.000 0.981 366 V HN 0.446 nan 8.190 nan 0.000 0.480 367 R N 5.823 126.307 120.500 -0.026 0.000 2.686 367 R HA 0.556 4.896 4.340 0.000 0.000 0.286 367 R C -2.702 173.607 176.300 0.015 0.000 0.969 367 R CA -1.771 54.326 56.100 -0.006 0.000 0.898 367 R CB 2.586 32.906 30.300 0.033 0.000 1.183 367 R HN 0.458 nan 8.270 nan 0.000 0.456 368 P HA 0.127 nan 4.420 nan 0.000 0.276 368 P C -0.786 176.616 177.300 0.171 0.000 1.244 368 P CA 0.026 63.149 63.100 0.039 0.000 0.801 368 P CB 0.985 32.699 31.700 0.022 0.000 1.006 369 F N 0.036 120.006 119.950 0.033 0.000 2.017 369 F HA 0.182 4.709 4.527 0.000 0.000 0.245 369 F C 0.599 176.431 175.800 0.053 0.000 1.060 369 F CA 0.500 58.527 58.000 0.044 0.000 1.231 369 F CB -0.349 38.678 39.000 0.044 0.000 1.527 369 F HN 0.077 nan 8.300 nan 0.000 0.636 370 T N 5.184 119.825 114.554 0.145 0.000 2.905 370 T HA 0.136 4.486 4.350 0.000 0.000 0.299 370 T C -2.398 172.311 174.700 0.016 0.000 1.024 370 T CA -0.500 61.623 62.100 0.038 0.000 1.151 370 T CB 0.345 69.241 68.868 0.046 0.000 0.987 370 T HN 0.090 nan 8.240 nan 0.000 0.535 371 P HA 0.376 nan 4.420 nan 0.000 0.282 371 P C -0.701 176.692 177.300 0.155 0.000 1.259 371 P CA -0.888 62.240 63.100 0.047 0.000 0.826 371 P CB 1.093 32.784 31.700 -0.015 0.000 1.064 372 K N 1.952 122.414 120.400 0.103 0.000 2.270 372 K HA 0.324 4.644 4.320 0.000 0.000 0.276 372 K C -1.680 174.940 176.600 0.033 0.000 1.023 372 K CA -1.183 55.126 56.287 0.037 0.000 0.955 372 K CB -0.323 32.140 32.500 -0.062 0.000 0.975 372 K HN 0.453 nan 8.250 nan 0.000 0.471 373 P HA 0.246 nan 4.420 nan 0.000 0.292 373 P C -1.273 176.082 177.300 0.092 0.000 1.283 373 P CA -0.575 62.509 63.100 -0.026 0.000 0.835 373 P CB 0.649 32.353 31.700 0.006 0.000 1.017 374 F N 0.564 120.562 119.950 0.079 0.000 2.598 374 F HA 0.590 5.117 4.527 0.000 0.000 0.327 374 F C 0.216 176.221 175.800 0.342 0.000 1.057 374 F CA -1.271 56.820 58.000 0.151 0.000 0.957 374 F CB 0.276 39.321 39.000 0.075 0.000 1.278 374 F HN 0.147 nan 8.300 nan 0.000 0.484 375 F N 1.413 121.620 119.950 0.429 0.000 2.381 375 F HA 0.259 4.786 4.527 0.000 0.000 0.244 375 F C 1.743 177.832 175.800 0.481 0.000 1.263 375 F CA 0.880 59.085 58.000 0.342 0.000 1.004 375 F CB -0.220 38.912 39.000 0.219 0.000 1.025 375 F HN 0.668 nan 8.300 nan 0.000 0.595 376 N N -0.724 118.165 118.700 0.315 0.000 2.214 376 N HA 0.159 4.899 4.740 0.000 0.000 0.214 376 N C -0.743 174.945 175.510 0.297 0.000 1.132 376 N CA -0.003 53.192 53.050 0.240 0.000 0.856 376 N CB 0.674 39.213 38.487 0.087 0.000 1.020 376 N HN 0.337 nan 8.380 nan 0.000 0.509 377 E N 0.686 121.077 120.200 0.318 0.000 2.340 377 E HA 0.430 4.780 4.350 0.000 0.000 0.273 377 E C -1.690 174.942 176.600 0.052 0.000 0.891 377 E CA -0.884 55.553 56.400 0.061 0.000 0.757 377 E CB 2.200 31.888 29.700 -0.020 0.000 1.231 377 E HN 0.233 nan 8.360 nan 0.000 0.439 378 F N -0.814 119.046 119.950 -0.151 0.000 2.703 378 F HA 0.763 5.290 4.527 0.000 0.000 0.308 378 F C -1.602 174.115 175.800 -0.139 0.000 1.126 378 F CA -1.165 56.636 58.000 -0.331 0.000 0.959 378 F CB 0.738 39.200 39.000 -0.897 0.000 1.297 378 F HN 0.417 nan 8.300 nan 0.000 0.441 379 A N 3.284 126.181 122.820 0.129 0.000 2.324 379 A HA 0.891 5.211 4.320 0.000 0.000 0.330 379 A C -1.372 176.388 177.584 0.294 0.000 1.165 379 A CA -0.802 51.313 52.037 0.130 0.000 0.813 379 A CB 1.097 20.124 19.000 0.045 0.000 1.197 379 A HN 0.855 nan 8.150 nan 0.000 0.484 380 L N 1.106 122.484 121.223 0.258 0.000 2.341 380 L HA 0.734 5.075 4.340 0.000 0.000 0.267 380 L C 0.346 177.280 176.870 0.108 0.000 1.009 380 L CA -0.921 54.039 54.840 0.201 0.000 0.819 380 L CB 2.193 44.349 42.059 0.162 0.000 1.323 380 L HN 0.780 nan 8.230 nan 0.000 0.425 381 A N 3.027 125.895 122.820 0.080 0.000 2.274 381 A HA 0.718 5.038 4.320 0.000 0.000 0.309 381 A C -0.626 176.971 177.584 0.022 0.000 1.226 381 A CA -0.379 51.671 52.037 0.022 0.000 0.853 381 A CB 0.287 19.317 19.000 0.051 0.000 1.146 381 A HN 0.591 nan 8.150 nan 0.000 0.518 382 L N 4.076 125.308 121.223 0.014 0.000 2.344 382 L HA 0.458 4.798 4.340 0.000 0.000 0.272 382 L C -1.306 175.565 176.870 0.002 0.000 1.035 382 L CA -1.916 52.933 54.840 0.015 0.000 0.807 382 L CB 2.052 44.132 42.059 0.035 0.000 1.237 382 L HN 0.567 nan 8.230 nan 0.000 0.442 383 P HA 0.048 nan 4.420 nan 0.000 0.245 383 P C -0.248 177.049 177.300 -0.004 0.000 1.212 383 P CA 0.711 63.807 63.100 -0.006 0.000 0.774 383 P CB 0.501 32.194 31.700 -0.011 0.000 0.999 384 K N -0.087 120.312 120.400 -0.002 0.000 2.480 384 K HA 0.274 4.594 4.320 0.000 0.000 0.258 384 K C -0.985 175.614 176.600 -0.001 0.000 0.990 384 K CA -0.881 55.405 56.287 -0.001 0.000 0.857 384 K CB 1.392 33.892 32.500 0.000 0.000 1.384 384 K HN -0.270 nan 8.250 nan 0.000 0.446 385 D N 2.197 122.596 120.400 -0.002 0.000 2.450 385 D HA -0.006 4.634 4.640 0.000 0.000 0.247 385 D C -1.327 174.970 176.300 -0.004 0.000 1.162 385 D CA -1.324 52.673 54.000 -0.005 0.000 0.879 385 D CB 0.957 41.755 40.800 -0.003 0.000 1.163 385 D HN 0.104 nan 8.370 nan 0.000 0.472 386 P HA -0.212 nan 4.420 nan 0.000 0.216 386 P C 0.656 177.944 177.300 -0.020 0.000 1.150 386 P CA 1.381 64.466 63.100 -0.024 0.000 0.843 386 P CB 0.201 31.873 31.700 -0.046 0.000 0.787 387 E N -0.062 120.131 120.200 -0.011 0.000 2.106 387 E HA -0.077 4.273 4.350 0.000 0.000 0.192 387 E C 2.269 178.875 176.600 0.008 0.000 0.984 387 E CA 1.046 57.446 56.400 0.000 0.000 0.806 387 E CB -0.452 29.251 29.700 0.006 0.000 0.750 387 E HN 0.198 nan 8.360 nan 0.000 0.458 388 A N 1.033 123.857 122.820 0.007 0.000 1.930 388 A HA -0.113 4.208 4.320 0.000 0.000 0.217 388 A C 2.472 180.065 177.584 0.014 0.000 1.175 388 A CA 0.956 52.999 52.037 0.011 0.000 0.627 388 A CB -0.462 18.543 19.000 0.007 0.000 0.815 388 A HN 0.096 nan 8.150 nan 0.000 0.443 389 V N -0.049 119.872 119.914 0.013 0.000 2.323 389 V HA -0.214 3.906 4.120 0.000 0.000 0.244 389 V C 2.617 178.728 176.094 0.027 0.000 1.041 389 V CA 2.124 64.436 62.300 0.021 0.000 1.025 389 V CB -0.779 31.062 31.823 0.030 0.000 0.656 389 V HN 0.675 nan 8.190 nan 0.000 0.451 390 R N 0.271 120.781 120.500 0.017 0.000 2.083 390 R HA -0.223 4.117 4.340 0.000 0.000 0.237 390 R C 2.515 178.845 176.300 0.049 0.000 1.137 390 R CA 2.109 58.226 56.100 0.029 0.000 0.951 390 R CB -0.305 30.003 30.300 0.014 0.000 0.851 390 R HN 0.447 nan 8.270 nan 0.000 0.434 391 R N 0.013 120.537 120.500 0.039 0.000 2.070 391 R HA -0.128 4.213 4.340 0.000 0.000 0.233 391 R C 2.144 178.466 176.300 0.038 0.000 1.137 391 R CA 1.748 57.872 56.100 0.040 0.000 0.945 391 R CB -0.419 29.900 30.300 0.032 0.000 0.845 391 R HN 0.319 nan 8.270 nan 0.000 0.430 392 A N 0.854 123.693 122.820 0.032 0.000 1.933 392 A HA -0.141 4.179 4.320 0.000 0.000 0.218 392 A C 2.022 179.632 177.584 0.044 0.000 1.175 392 A CA 1.054 53.109 52.037 0.030 0.000 0.628 392 A CB -0.464 18.547 19.000 0.019 0.000 0.814 392 A HN 0.318 nan 8.150 nan 0.000 0.444 393 L N -0.475 120.780 121.223 0.054 0.000 2.046 393 L HA -0.085 4.255 4.340 0.000 0.000 0.208 393 L C 2.933 179.879 176.870 0.125 0.000 1.077 393 L CA 1.888 56.781 54.840 0.089 0.000 0.747 393 L CB -1.122 40.996 42.059 0.099 0.000 0.896 393 L HN 0.398 nan 8.230 nan 0.000 0.432 394 A N -1.167 121.689 122.820 0.060 0.000 1.972 394 A HA -0.214 4.106 4.320 0.000 0.000 0.219 394 A C 2.189 179.775 177.584 0.003 0.000 1.169 394 A CA 1.548 53.575 52.037 -0.017 0.000 0.635 394 A CB -0.480 18.514 19.000 -0.010 0.000 0.810 394 A HN 0.511 nan 8.150 nan 0.000 0.446 395 E N -0.588 119.634 120.200 0.036 0.000 2.268 395 E HA -0.117 4.233 4.350 0.000 0.000 0.195 395 E C 1.742 178.378 176.600 0.059 0.000 0.995 395 E CA 0.749 57.170 56.400 0.036 0.000 0.836 395 E CB -0.045 29.676 29.700 0.035 0.000 0.763 395 E HN 0.562 nan 8.360 nan 0.000 0.491 396 R N -0.803 119.768 120.500 0.118 0.000 2.334 396 R HA 0.148 4.488 4.340 0.000 0.000 0.216 396 R C 0.832 177.269 176.300 0.229 0.000 0.905 396 R CA 0.516 56.734 56.100 0.196 0.000 1.064 396 R CB 0.883 31.331 30.300 0.247 0.000 1.046 396 R HN 0.167 nan 8.270 nan 0.000 0.508 397 G N 0.779 109.624 108.800 0.076 0.000 2.131 397 G HA2 -0.243 3.717 3.960 0.000 0.000 0.223 397 G HA3 -0.243 3.717 3.960 0.000 0.000 0.223 397 G C -0.254 174.421 174.900 -0.374 0.000 0.990 397 G CA -0.455 44.546 45.100 -0.165 0.000 0.671 397 G HN 0.180 nan 8.290 nan 0.000 0.521 398 F N 0.440 120.340 119.950 -0.082 0.000 2.546 398 F HA 0.655 5.182 4.527 0.000 0.000 0.320 398 F C 0.357 176.101 175.800 -0.094 0.000 1.076 398 F CA -1.157 56.836 58.000 -0.012 0.000 0.928 398 F CB 1.579 40.636 39.000 0.096 0.000 1.189 398 F HN 0.005 nan 8.300 nan 0.000 0.465 399 H N 1.470 120.728 119.070 0.314 0.000 2.673 399 H HA 0.648 5.204 4.556 0.000 0.000 0.293 399 H C 0.080 175.559 175.328 0.252 0.000 1.065 399 H CA -0.518 55.654 56.048 0.206 0.000 1.236 399 H CB 1.030 30.864 29.762 0.119 0.000 1.389 399 H HN 0.822 nan 8.280 nan 0.000 0.481 400 G N 0.236 109.205 108.800 0.281 0.000 2.608 400 G HA2 0.477 4.437 3.960 0.000 0.000 0.291 400 G HA3 0.477 4.437 3.960 0.000 0.000 0.291 400 G C -0.908 173.937 174.900 -0.091 0.000 1.425 400 G CA -0.185 45.011 45.100 0.160 0.000 0.787 400 G HN 0.604 nan 8.290 nan 0.000 0.484 401 A N -0.595 121.871 122.820 -0.590 0.000 2.514 401 A HA 0.217 4.537 4.320 0.000 0.000 0.290 401 A C 0.531 177.860 177.584 -0.424 0.000 1.435 401 A CA 1.204 52.786 52.037 -0.757 0.000 0.728 401 A CB -1.990 16.879 19.000 -0.219 0.000 1.128 401 A HN 2.425 nan 8.150 nan 0.000 0.394 402 T N 2.598 116.869 114.554 -0.472 0.000 2.727 402 T HA 0.517 4.867 4.350 0.000 0.000 0.295 402 T C -1.560 173.007 174.700 -0.222 0.000 0.915 402 T CA -1.181 60.767 62.100 -0.254 0.000 1.066 402 T CB 0.309 69.048 68.868 -0.216 0.000 0.891 402 T HN 0.611 nan 8.240 nan 0.000 0.516 403 P HA 0.046 nan 4.420 nan 0.000 0.260 403 P C -0.402 176.879 177.300 -0.033 0.000 1.185 403 P CA -0.110 62.944 63.100 -0.076 0.000 0.763 403 P CB 0.434 32.113 31.700 -0.034 0.000 0.776 404 V N 7.144 127.035 119.914 -0.038 0.000 2.432 404 V HA 0.196 4.316 4.120 0.000 0.000 0.275 404 V C -1.469 174.684 176.094 0.098 0.000 1.043 404 V CA -1.785 60.545 62.300 0.051 0.000 0.925 404 V CB 0.704 32.500 31.823 -0.046 0.000 0.985 404 V HN 0.569 nan 8.190 nan 0.000 0.466 405 P HA 0.088 nan 4.420 nan 0.000 0.265 405 P C 0.461 177.840 177.300 0.131 0.000 1.187 405 P CA -0.110 63.061 63.100 0.118 0.000 0.766 405 P CB 0.818 32.574 31.700 0.093 0.000 0.820 406 R N 1.598 122.126 120.500 0.046 0.000 2.261 406 R HA -0.196 4.144 4.340 0.000 0.000 0.236 406 R C 2.183 178.481 176.300 -0.003 0.000 1.141 406 R CA 1.836 57.946 56.100 0.017 0.000 1.001 406 R CB -0.481 29.816 30.300 -0.004 0.000 0.866 406 R HN 0.663 nan 8.270 nan 0.000 0.468 407 E N -0.776 119.393 120.200 -0.051 0.000 2.331 407 E HA -0.244 4.106 4.350 0.000 0.000 0.199 407 E C 0.763 177.224 176.600 -0.232 0.000 1.008 407 E CA 1.258 57.553 56.400 -0.174 0.000 0.843 407 E CB -0.218 29.302 29.700 -0.301 0.000 0.761 407 E HN 0.487 nan 8.360 nan 0.000 0.507 408 Y N 0.727 121.027 120.300 -0.001 0.000 2.503 408 Y HA 0.325 4.875 4.550 0.000 0.000 0.278 408 Y C 1.243 177.135 175.900 -0.014 0.000 1.111 408 Y CA 0.643 58.767 58.100 0.039 0.000 1.270 408 Y CB 1.260 39.755 38.460 0.059 0.000 1.063 408 Y HN 0.249 nan 8.280 nan 0.000 0.548 409 G N -0.538 108.285 108.800 0.038 0.000 2.368 409 G HA2 0.074 4.034 3.960 0.000 0.000 0.302 409 G HA3 0.074 4.034 3.960 0.000 0.000 0.302 409 G C -1.676 173.169 174.900 -0.090 0.000 1.329 409 G CA -1.148 43.919 45.100 -0.055 0.000 0.935 409 G HN -0.215 nan 8.290 nan 0.000 0.590 410 E N 0.964 121.115 120.200 -0.082 0.000 2.313 410 E HA 0.334 4.684 4.350 0.000 0.000 0.272 410 E C 0.391 176.937 176.600 -0.091 0.000 1.038 410 E CA -0.637 55.726 56.400 -0.063 0.000 0.863 410 E CB 0.742 30.426 29.700 -0.027 0.000 1.060 410 E HN 0.542 nan 8.360 nan 0.000 0.402 411 N N 1.028 119.690 118.700 -0.063 0.000 2.716 411 N HA -0.219 4.521 4.740 0.000 0.000 0.250 411 N C -0.665 174.791 175.510 -0.090 0.000 1.033 411 N CA 0.680 53.695 53.050 -0.058 0.000 0.727 411 N CB -1.130 37.336 38.487 -0.035 0.000 0.950 411 N HN 0.400 nan 8.380 nan 0.000 0.541 412 L N 0.002 121.145 121.223 -0.133 0.000 2.334 412 L HA 0.689 5.029 4.340 0.000 0.000 0.277 412 L C 0.695 177.492 176.870 -0.123 0.000 1.075 412 L CA -0.491 54.242 54.840 -0.180 0.000 0.804 412 L CB 1.571 43.441 42.059 -0.315 0.000 1.174 412 L HN 0.193 nan 8.230 nan 0.000 0.438 413 A N 3.853 126.609 122.820 -0.106 0.000 2.455 413 A HA 0.697 5.017 4.320 0.000 0.000 0.300 413 A C -1.065 176.359 177.584 -0.266 0.000 1.040 413 A CA -0.521 51.401 52.037 -0.190 0.000 0.697 413 A CB 1.378 20.276 19.000 -0.170 0.000 1.265 413 A HN 0.609 nan 8.150 nan 0.000 0.407 414 L N 1.179 122.127 121.223 -0.458 0.000 2.379 414 L HA 0.681 5.021 4.340 0.000 0.000 0.269 414 L C -1.128 175.259 176.870 -0.804 0.000 1.084 414 L CA -0.308 54.230 54.840 -0.504 0.000 0.802 414 L CB 1.195 42.950 42.059 -0.508 0.000 1.175 414 L HN 0.710 nan 8.230 nan 0.000 0.448 415 F N 0.960 120.550 119.950 -0.600 0.000 2.581 415 F HA 0.700 5.227 4.527 0.000 0.000 0.311 415 F C 0.055 175.490 175.800 -0.608 0.000 1.113 415 F CA -0.497 57.143 58.000 -0.600 0.000 0.935 415 F CB 2.008 40.521 39.000 -0.811 0.000 1.232 415 F HN 0.413 nan 8.300 nan 0.000 0.445 416 A N 1.573 124.359 122.820 -0.055 0.000 2.479 416 A HA 1.020 5.340 4.320 0.000 0.000 0.296 416 A C -1.562 176.160 177.584 0.229 0.000 1.121 416 A CA -0.524 51.533 52.037 0.033 0.000 0.743 416 A CB 1.704 20.711 19.000 0.012 0.000 1.323 416 A HN 1.218 nan 8.150 nan 0.000 0.415 417 A N -0.184 122.785 122.820 0.247 0.000 2.572 417 A HA 0.941 5.261 4.320 0.000 0.000 0.295 417 A C -0.186 177.568 177.584 0.284 0.000 1.072 417 A CA 0.150 52.417 52.037 0.382 0.000 0.691 417 A CB 1.304 20.515 19.000 0.352 0.000 1.291 417 A HN 2.176 nan 8.150 nan 0.000 0.404 418 T N -2.108 112.636 114.554 0.317 0.000 2.716 418 T HA 0.528 4.878 4.350 0.000 0.000 0.286 418 T C 0.742 175.483 174.700 0.068 0.000 1.052 418 T CA 0.251 62.368 62.100 0.027 0.000 1.024 418 T CB 1.163 69.800 68.868 -0.385 0.000 1.349 418 T HN 0.808 nan 8.240 nan 0.000 0.525 419 E N 0.785 121.043 120.200 0.097 0.000 2.333 419 E HA -0.110 4.240 4.350 0.000 0.000 0.198 419 E C 1.514 178.125 176.600 0.018 0.000 1.007 419 E CA 1.177 57.628 56.400 0.085 0.000 0.845 419 E CB -0.624 29.152 29.700 0.127 0.000 0.766 419 E HN 0.668 nan 8.360 nan 0.000 0.507 420 L N -1.475 119.698 121.223 -0.084 0.000 2.611 420 L HA 0.392 4.732 4.340 0.000 0.000 0.229 420 L C 0.260 177.032 176.870 -0.163 0.000 1.137 420 L CA -0.305 54.454 54.840 -0.135 0.000 0.901 420 L CB -1.062 40.894 42.059 -0.171 0.000 1.098 420 L HN -0.114 nan 8.230 nan 0.000 0.456 421 H N 0.597 119.656 119.070 -0.018 0.000 2.502 421 H HA 0.565 5.121 4.556 0.000 0.000 0.327 421 H C -0.350 175.024 175.328 0.076 0.000 1.099 421 H CA -0.400 55.663 56.048 0.025 0.000 1.323 421 H CB 1.118 30.931 29.762 0.086 0.000 1.450 421 H HN 0.318 nan 8.280 nan 0.000 0.502 422 E N 1.644 121.990 120.200 0.243 0.000 2.320 422 E HA 0.062 4.412 4.350 0.000 0.000 0.264 422 E C 0.422 177.118 176.600 0.161 0.000 0.923 422 E CA -0.703 55.794 56.400 0.162 0.000 0.796 422 E CB 1.922 31.691 29.700 0.114 0.000 1.262 422 E HN 0.605 nan 8.360 nan 0.000 0.428 423 E N 1.389 121.656 120.200 0.112 0.000 2.068 423 E HA -0.313 4.037 4.350 0.000 0.000 0.207 423 E C 1.625 178.281 176.600 0.093 0.000 1.032 423 E CA 2.442 58.895 56.400 0.088 0.000 0.839 423 E CB -0.058 29.679 29.700 0.061 0.000 0.758 423 E HN 0.626 nan 8.360 nan 0.000 0.457 424 E N 0.022 120.280 120.200 0.097 0.000 2.171 424 E HA -0.242 4.108 4.350 0.000 0.000 0.197 424 E C 1.318 178.009 176.600 0.151 0.000 0.997 424 E CA 1.495 57.957 56.400 0.103 0.000 0.810 424 E CB -0.219 29.538 29.700 0.095 0.000 0.738 424 E HN 0.300 nan 8.360 nan 0.000 0.467 425 D N 1.274 121.801 120.400 0.211 0.000 2.149 425 D HA -0.063 4.577 4.640 0.000 0.000 0.201 425 D C 2.239 178.711 176.300 0.288 0.000 0.972 425 D CA 0.795 55.000 54.000 0.342 0.000 0.835 425 D CB -0.114 40.965 40.800 0.466 0.000 0.966 425 D HN 0.275 nan 8.370 nan 0.000 0.476 426 L N 0.385 121.695 121.223 0.145 0.000 2.017 426 L HA -0.151 4.189 4.340 0.000 0.000 0.208 426 L C 2.403 179.207 176.870 -0.109 0.000 1.073 426 L CA 0.623 55.418 54.840 -0.075 0.000 0.745 426 L CB -0.467 41.575 42.059 -0.027 0.000 0.894 426 L HN 0.069 nan 8.230 nan 0.000 0.432 427 L N 0.374 121.581 121.223 -0.027 0.000 2.017 427 L HA -0.174 4.166 4.340 0.000 0.000 0.208 427 L C 2.945 179.781 176.870 -0.056 0.000 1.073 427 L CA 2.192 57.006 54.840 -0.043 0.000 0.745 427 L CB -1.811 40.246 42.059 -0.003 0.000 0.894 427 L HN 0.225 nan 8.230 nan 0.000 0.432 428 A N -0.562 122.276 122.820 0.031 0.000 1.940 428 A HA -0.228 4.092 4.320 0.000 0.000 0.219 428 A C 2.314 179.783 177.584 -0.192 0.000 1.176 428 A CA 1.825 53.910 52.037 0.080 0.000 0.631 428 A CB -0.710 18.499 19.000 0.350 0.000 0.814 428 A HN 0.368 nan 8.150 nan 0.000 0.446 429 L N -0.368 120.729 121.223 -0.210 0.000 2.027 429 L HA -0.052 4.288 4.340 0.000 0.000 0.206 429 L C 2.418 179.015 176.870 -0.455 0.000 1.074 429 L CA 2.317 56.864 54.840 -0.489 0.000 0.745 429 L CB -0.633 41.083 42.059 -0.571 0.000 0.898 429 L HN 0.446 nan 8.230 nan 0.000 0.433 430 R N -0.710 119.590 120.500 -0.333 0.000 2.091 430 R HA -0.173 4.167 4.340 0.000 0.000 0.238 430 R C 2.148 178.307 176.300 -0.235 0.000 1.136 430 R CA 1.567 57.503 56.100 -0.273 0.000 0.959 430 R CB -0.135 30.038 30.300 -0.213 0.000 0.856 430 R HN 0.388 nan 8.270 nan 0.000 0.437 431 E N 0.252 120.324 120.200 -0.213 0.000 2.077 431 E HA -0.167 4.183 4.350 0.000 0.000 0.193 431 E C 1.875 178.348 176.600 -0.213 0.000 0.989 431 E CA 1.325 57.624 56.400 -0.168 0.000 0.800 431 E CB -0.309 29.324 29.700 -0.111 0.000 0.746 431 E HN 0.462 nan 8.360 nan 0.000 0.452 432 A N 1.206 123.803 122.820 -0.372 0.000 1.883 432 A HA -0.181 4.139 4.320 0.000 0.000 0.217 432 A C 2.264 179.692 177.584 -0.259 0.000 1.186 432 A CA 1.441 53.228 52.037 -0.417 0.000 0.624 432 A CB -0.660 17.751 19.000 -0.982 0.000 0.822 432 A HN 0.258 nan 8.150 nan 0.000 0.444 433 L N -0.114 120.954 121.223 -0.259 0.000 2.083 433 L HA -0.131 4.209 4.340 0.000 0.000 0.209 433 L C 2.187 178.985 176.870 -0.119 0.000 1.083 433 L CA 2.112 56.857 54.840 -0.158 0.000 0.752 433 L CB -0.424 41.532 42.059 -0.170 0.000 0.899 433 L HN 0.346 nan 8.230 nan 0.000 0.433 434 K N -0.846 119.477 120.400 -0.129 0.000 2.097 434 K HA -0.112 4.208 4.320 0.000 0.000 0.205 434 K C 1.926 178.483 176.600 -0.071 0.000 1.050 434 K CA 1.067 57.297 56.287 -0.094 0.000 0.938 434 K CB -0.123 32.322 32.500 -0.092 0.000 0.718 434 K HN 0.335 nan 8.250 nan 0.000 0.442 435 E N 0.847 121.001 120.200 -0.076 0.000 2.047 435 E HA -0.144 4.206 4.350 0.000 0.000 0.191 435 E C 2.154 178.731 176.600 -0.038 0.000 0.987 435 E CA 0.923 57.293 56.400 -0.051 0.000 0.799 435 E CB -0.494 29.178 29.700 -0.048 0.000 0.752 435 E HN 0.115 nan 8.360 nan 0.000 0.449 436 V N 0.827 120.714 119.914 -0.044 0.000 2.490 436 V HA -0.138 3.982 4.120 0.000 0.000 0.250 436 V C 1.072 177.153 176.094 -0.022 0.000 1.061 436 V CA 0.838 63.123 62.300 -0.026 0.000 1.064 436 V CB -0.098 31.712 31.823 -0.021 0.000 0.670 436 V HN -0.034 nan 8.190 nan 0.000 0.461 437 L N 0.000 121.204 121.223 -0.032 0.000 2.949 437 L HA 0.000 4.340 4.340 0.000 0.000 0.249 437 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 437 L CB 0.000 42.038 42.059 -0.036 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502