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 3euo_1_B DATA FIRST_RESID 10 DATA SEQUENCE LGLSITGLGV QYPPYSLGPD AIDILSKRYH PESPAMKKVL AINRYTGIDQ DATA SEQUENCE RSSIGNPDHP LVNKPNPPTV KELHEVFMSD GVPLAVEASR KAMAEARLVP DATA SEQUENCE AQITHMVSTT CTDSANPGYD HYVAKELGLS DRLEKVLLHG IGXSGGLAAL DATA SEQUENCE RTAANLCLGH TARGKPARIL VLALEVSTTM VRSELESIDA LQETRIGIAL DATA SEQUENCE FSDCASAVIL SNGIGEAPGK PAIYDLLGWE NRVIPDSEHD LGFDVDPMGW DATA SEQUENCE KVVLSPRVPV LAKASLQPTY ADLLSSLQDQ LPSSYQKPAD FDWAMHPGGA DATA SEQUENCE TILSGAESAM GLTPEHMRAS YDRYINHGNS SSATIFSVLN RLREKDMDAL DATA SEQUENCE APGGKVKEYV VGCAFGPGIN VEMCMLKRR 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.904 176.870 0.057 0.000 1.165 10 L CA 0.000 54.871 54.840 0.052 0.000 0.813 10 L CB 0.000 42.111 42.059 0.086 0.000 0.961 11 G N 1.987 110.815 108.800 0.045 0.000 2.176 11 G HA2 -0.263 3.692 3.960 -0.007 0.000 0.252 11 G HA3 -0.263 3.692 3.960 -0.007 0.000 0.252 11 G C -0.101 174.822 174.900 0.038 0.000 1.024 11 G CA 0.458 45.580 45.100 0.036 0.000 0.755 11 G HN 0.188 nan 8.290 nan 0.000 0.507 12 L N 1.285 122.541 121.223 0.055 0.000 2.282 12 L HA 0.706 5.041 4.340 -0.007 0.000 0.288 12 L C 0.468 177.362 176.870 0.040 0.000 1.033 12 L CA -0.244 54.625 54.840 0.048 0.000 0.807 12 L CB 1.947 44.057 42.059 0.085 0.000 1.209 12 L HN 0.412 nan 8.230 nan 0.000 0.423 13 S N 2.800 118.509 115.700 0.015 0.000 2.548 13 S HA 0.613 5.079 4.470 -0.007 0.000 0.276 13 S C -0.715 173.883 174.600 -0.003 0.000 1.129 13 S CA -0.834 57.376 58.200 0.016 0.000 0.931 13 S CB 1.574 64.778 63.200 0.007 0.000 1.068 13 S HN 0.440 nan 8.310 nan 0.000 0.480 14 I N 3.314 123.895 120.570 0.019 0.000 2.363 14 I HA 0.170 4.336 4.170 -0.007 0.000 0.292 14 I C 1.410 177.524 176.117 -0.005 0.000 1.075 14 I CA -0.234 61.065 61.300 -0.002 0.000 1.333 14 I CB 1.086 39.114 38.000 0.047 0.000 1.415 14 I HN 1.015 nan 8.210 nan 0.000 0.502 15 T N 1.071 115.604 114.554 -0.036 0.000 3.040 15 T HA 0.346 4.692 4.350 -0.007 0.000 0.250 15 T C 0.575 175.248 174.700 -0.045 0.000 1.058 15 T CA -0.187 61.889 62.100 -0.039 0.000 0.988 15 T CB 0.453 69.300 68.868 -0.036 0.000 0.993 15 T HN 0.687 nan 8.240 nan 0.000 0.519 16 G N 0.733 109.502 108.800 -0.052 0.000 2.702 16 G HA2 0.565 4.520 3.960 -0.007 0.000 0.296 16 G HA3 0.565 4.520 3.960 -0.007 0.000 0.296 16 G C -2.165 172.695 174.900 -0.066 0.000 1.463 16 G CA -0.909 44.161 45.100 -0.051 0.000 0.890 16 G HN 0.242 nan 8.290 nan 0.000 0.534 17 L N 0.442 121.638 121.223 -0.046 0.000 2.388 17 L HA 0.926 5.261 4.340 -0.007 0.000 0.264 17 L C 0.485 177.339 176.870 -0.025 0.000 0.998 17 L CA -0.496 54.313 54.840 -0.051 0.000 0.817 17 L CB 2.604 44.660 42.059 -0.006 0.000 1.338 17 L HN 0.916 nan 8.230 nan 0.000 0.414 18 G N 0.781 109.567 108.800 -0.024 0.000 2.682 18 G HA2 0.718 4.673 3.960 -0.007 0.000 0.300 18 G HA3 0.718 4.673 3.960 -0.007 0.000 0.300 18 G C -1.958 172.938 174.900 -0.007 0.000 1.391 18 G CA -0.552 44.542 45.100 -0.010 0.000 0.990 18 G HN 0.336 nan 8.290 nan 0.000 0.501 19 V N 0.973 120.875 119.914 -0.020 0.000 2.686 19 V HA 0.625 4.741 4.120 -0.007 0.000 0.306 19 V C -0.821 175.217 176.094 -0.093 0.000 1.065 19 V CA -0.754 61.498 62.300 -0.078 0.000 0.894 19 V CB 2.004 33.777 31.823 -0.083 0.000 1.004 19 V HN 0.753 nan 8.190 nan 0.000 0.424 20 Q N 3.242 122.943 119.800 -0.166 0.000 2.533 20 Q HA 0.489 4.825 4.340 -0.007 0.000 0.251 20 Q C -1.659 174.237 176.000 -0.174 0.000 0.966 20 Q CA -0.307 55.431 55.803 -0.109 0.000 0.714 20 Q CB 0.988 29.689 28.738 -0.061 0.000 1.284 20 Q HN 0.627 nan 8.270 nan 0.000 0.478 21 Y N 3.831 124.099 120.300 -0.053 0.000 2.326 21 Y HA 0.393 4.938 4.550 -0.007 0.000 0.333 21 Y C -1.614 174.261 175.900 -0.043 0.000 1.240 21 Y CA -1.614 56.461 58.100 -0.043 0.000 1.365 21 Y CB 0.435 38.880 38.460 -0.025 0.000 1.289 21 Y HN 0.517 nan 8.280 nan 0.000 0.548 22 P HA 0.072 nan 4.420 nan 0.000 0.272 22 P C -2.295 174.950 177.300 -0.092 0.000 1.240 22 P CA -1.432 61.681 63.100 0.022 0.000 0.791 22 P CB 0.611 32.356 31.700 0.075 0.000 0.978 23 P HA -0.054 nan 4.420 nan 0.000 0.222 23 P C -0.167 176.746 177.300 -0.645 0.000 1.147 23 P CA 1.427 64.141 63.100 -0.643 0.000 0.790 23 P CB -0.218 30.835 31.700 -1.078 0.000 0.780 24 Y N -1.203 119.131 120.300 0.055 0.000 2.352 24 Y HA 0.505 5.050 4.550 -0.007 0.000 0.326 24 Y C 0.842 176.755 175.900 0.023 0.000 1.166 24 Y CA -0.790 57.333 58.100 0.038 0.000 1.182 24 Y CB 0.828 39.316 38.460 0.047 0.000 1.216 24 Y HN -0.351 nan 8.280 nan 0.000 0.474 25 S N 2.755 118.540 115.700 0.142 0.000 2.605 25 S HA 0.545 5.011 4.470 -0.007 0.000 0.308 25 S C -0.927 173.703 174.600 0.050 0.000 1.113 25 S CA -0.776 57.450 58.200 0.044 0.000 1.049 25 S CB 0.428 63.610 63.200 -0.029 0.000 1.001 25 S HN 0.460 nan 8.310 nan 0.000 0.480 26 L N 3.421 124.664 121.223 0.033 0.000 2.255 26 L HA 0.500 4.836 4.340 -0.007 0.000 0.289 26 L C 1.143 178.009 176.870 -0.008 0.000 1.046 26 L CA -0.587 54.268 54.840 0.025 0.000 0.816 26 L CB 0.615 42.696 42.059 0.036 0.000 1.197 26 L HN 0.718 nan 8.230 nan 0.000 0.427 27 G N 3.113 111.909 108.800 -0.007 0.000 2.651 27 G HA2 0.241 4.197 3.960 -0.007 0.000 0.260 27 G HA3 0.241 4.197 3.960 -0.007 0.000 0.260 27 G C -1.455 173.433 174.900 -0.019 0.000 1.216 27 G CA -0.888 44.199 45.100 -0.022 0.000 0.913 27 G HN 0.486 nan 8.290 nan 0.000 0.535 28 P HA -0.101 nan 4.420 nan 0.000 0.221 28 P C 1.004 178.299 177.300 -0.009 0.000 1.145 28 P CA 1.389 64.475 63.100 -0.024 0.000 0.795 28 P CB 0.115 31.799 31.700 -0.027 0.000 0.775 29 D N -0.046 120.353 120.400 -0.002 0.000 2.347 29 D HA -0.035 4.601 4.640 -0.007 0.000 0.215 29 D C 1.742 178.052 176.300 0.016 0.000 0.976 29 D CA 0.737 54.740 54.000 0.006 0.000 0.884 29 D CB -0.697 40.107 40.800 0.006 0.000 0.915 29 D HN 0.085 nan 8.370 nan 0.000 0.526 30 A N 1.556 124.387 122.820 0.019 0.000 1.892 30 A HA -0.171 4.144 4.320 -0.007 0.000 0.218 30 A C 2.220 179.831 177.584 0.046 0.000 1.188 30 A CA 1.450 53.507 52.037 0.034 0.000 0.631 30 A CB -0.551 18.470 19.000 0.036 0.000 0.822 30 A HN 0.239 nan 8.150 nan 0.000 0.447 31 I N 0.461 121.055 120.570 0.040 0.000 2.439 31 I HA -0.144 4.022 4.170 -0.007 0.000 0.251 31 I C 1.620 177.769 176.117 0.053 0.000 1.139 31 I CA 1.186 62.517 61.300 0.052 0.000 1.438 31 I CB -1.719 36.305 38.000 0.039 0.000 1.085 31 I HN 0.265 nan 8.210 nan 0.000 0.427 32 D N 1.324 121.744 120.400 0.034 0.000 2.104 32 D HA -0.174 4.462 4.640 -0.007 0.000 0.194 32 D C 2.315 178.636 176.300 0.035 0.000 0.994 32 D CA 1.147 55.165 54.000 0.030 0.000 0.830 32 D CB -0.121 40.690 40.800 0.018 0.000 0.959 32 D HN 0.153 nan 8.370 nan 0.000 0.452 33 I N 0.630 121.220 120.570 0.033 0.000 2.127 33 I HA -0.200 3.965 4.170 -0.007 0.000 0.241 33 I C 2.594 178.735 176.117 0.040 0.000 1.075 33 I CA 0.904 62.219 61.300 0.025 0.000 1.334 33 I CB -1.139 36.876 38.000 0.026 0.000 1.040 33 I HN 0.066 nan 8.210 nan 0.000 0.405 34 L N -0.200 121.078 121.223 0.092 0.000 2.093 34 L HA -0.178 4.157 4.340 -0.007 0.000 0.208 34 L C 2.762 179.763 176.870 0.217 0.000 1.085 34 L CA 1.273 56.221 54.840 0.181 0.000 0.755 34 L CB -0.546 41.639 42.059 0.209 0.000 0.904 34 L HN 0.237 nan 8.230 nan 0.000 0.435 35 S N 0.032 115.834 115.700 0.170 0.000 2.359 35 S HA -0.266 4.199 4.470 -0.007 0.000 0.224 35 S C 2.120 176.810 174.600 0.150 0.000 1.035 35 S CA 1.673 59.993 58.200 0.200 0.000 1.018 35 S CB -0.109 63.162 63.200 0.118 0.000 0.876 35 S HN 0.295 nan 8.310 nan 0.000 0.448 36 K N 0.384 120.820 120.400 0.059 0.000 2.148 36 K HA -0.035 4.281 4.320 -0.007 0.000 0.204 36 K C 2.499 179.052 176.600 -0.079 0.000 1.050 36 K CA 0.875 57.165 56.287 0.005 0.000 0.942 36 K CB -0.174 32.321 32.500 -0.009 0.000 0.724 36 K HN 0.304 nan 8.250 nan 0.000 0.446 37 R N -0.765 119.638 120.500 -0.162 0.000 2.092 37 R HA -0.130 4.206 4.340 -0.007 0.000 0.231 37 R C 1.039 176.921 176.300 -0.697 0.000 1.119 37 R CA 1.567 57.390 56.100 -0.462 0.000 0.970 37 R CB 0.045 29.975 30.300 -0.617 0.000 0.864 37 R HN 0.229 nan 8.270 nan 0.000 0.440 38 Y N -2.167 118.081 120.300 -0.086 0.000 2.445 38 Y HA 0.286 4.832 4.550 -0.006 0.000 0.247 38 Y C -0.328 175.213 175.900 -0.598 0.000 1.129 38 Y CA -0.258 57.660 58.100 -0.303 0.000 1.251 38 Y CB 0.713 38.973 38.460 -0.334 0.000 1.176 38 Y HN 0.039 nan 8.280 nan 0.000 0.522 39 H N -0.727 118.400 119.070 0.095 0.000 2.851 39 H HA 0.371 4.923 4.556 -0.008 0.000 0.372 39 H C -2.461 172.886 175.328 0.031 0.000 1.158 39 H CA -2.232 53.857 56.048 0.068 0.000 1.159 39 H CB 1.629 31.435 29.762 0.074 0.000 1.757 39 H HN -0.212 nan 8.280 nan 0.000 0.546 40 P HA 0.047 nan 4.420 nan 0.000 0.272 40 P C -0.663 176.686 177.300 0.082 0.000 1.240 40 P CA -0.495 62.654 63.100 0.083 0.000 0.791 40 P CB 0.891 32.630 31.700 0.064 0.000 0.978 41 E N 0.255 120.485 120.200 0.051 0.000 2.414 41 E HA 0.328 4.674 4.350 -0.007 0.000 0.263 41 E C 0.247 176.869 176.600 0.036 0.000 1.000 41 E CA 0.307 56.731 56.400 0.040 0.000 0.914 41 E CB -0.063 29.653 29.700 0.027 0.000 0.948 41 E HN 0.457 nan 8.360 nan 0.000 0.444 42 S N 1.298 117.016 115.700 0.029 0.000 2.579 42 S HA 0.477 4.943 4.470 -0.007 0.000 0.272 42 S C -2.356 172.253 174.600 0.016 0.000 1.141 42 S CA -1.497 56.716 58.200 0.022 0.000 0.843 42 S CB 1.778 64.990 63.200 0.019 0.000 1.122 42 S HN 0.117 nan 8.310 nan 0.000 0.468 43 P HA -0.018 nan 4.420 nan 0.000 0.215 43 P C 1.586 178.893 177.300 0.012 0.000 1.153 43 P CA 2.129 65.237 63.100 0.014 0.000 0.853 43 P CB -0.165 31.543 31.700 0.014 0.000 0.788 44 A N -1.198 121.627 122.820 0.007 0.000 1.898 44 A HA -0.174 4.142 4.320 -0.007 0.000 0.216 44 A C 2.241 179.824 177.584 -0.002 0.000 1.181 44 A CA 1.914 53.953 52.037 0.003 0.000 0.620 44 A CB -1.379 17.619 19.000 -0.003 0.000 0.819 44 A HN 0.099 nan 8.150 nan 0.000 0.442 45 M N 0.109 119.706 119.600 -0.005 0.000 2.117 45 M HA -0.093 4.383 4.480 -0.007 0.000 0.262 45 M C 1.817 178.120 176.300 0.005 0.000 1.065 45 M CA 1.765 57.062 55.300 -0.005 0.000 1.114 45 M CB -0.390 32.210 32.600 -0.001 0.000 1.361 45 M HN 0.371 nan 8.290 nan 0.000 0.408 46 K N -0.389 120.018 120.400 0.011 0.000 2.063 46 K HA -0.184 4.131 4.320 -0.007 0.000 0.208 46 K C 2.036 178.644 176.600 0.014 0.000 1.048 46 K CA 1.601 57.896 56.287 0.015 0.000 0.928 46 K CB -0.240 32.271 32.500 0.019 0.000 0.713 46 K HN 0.374 nan 8.250 nan 0.000 0.442 47 K N 0.582 120.990 120.400 0.014 0.000 2.032 47 K HA -0.132 4.184 4.320 -0.007 0.000 0.209 47 K C 2.120 178.717 176.600 -0.006 0.000 1.048 47 K CA 1.393 57.690 56.287 0.016 0.000 0.927 47 K CB -0.167 32.344 32.500 0.019 0.000 0.712 47 K HN -0.054 nan 8.250 nan 0.000 0.441 48 V N 1.378 121.285 119.914 -0.013 0.000 2.295 48 V HA -0.228 3.887 4.120 -0.007 0.000 0.246 48 V C 2.133 178.199 176.094 -0.047 0.000 1.049 48 V CA 1.412 63.695 62.300 -0.030 0.000 1.024 48 V CB -0.369 31.445 31.823 -0.015 0.000 0.648 48 V HN 0.204 nan 8.190 nan 0.000 0.447 49 L N 0.369 121.577 121.223 -0.024 0.000 2.127 49 L HA -0.118 4.217 4.340 -0.007 0.000 0.211 49 L C 2.519 179.367 176.870 -0.037 0.000 1.089 49 L CA 2.147 56.973 54.840 -0.023 0.000 0.757 49 L CB -1.404 40.654 42.059 -0.000 0.000 0.899 49 L HN 0.316 nan 8.230 nan 0.000 0.434 50 A N -0.546 122.257 122.820 -0.028 0.000 1.872 50 A HA -0.122 4.193 4.320 -0.007 0.000 0.214 50 A C 2.308 179.796 177.584 -0.161 0.000 1.187 50 A CA 1.414 53.447 52.037 -0.006 0.000 0.614 50 A CB -0.632 18.408 19.000 0.067 0.000 0.826 50 A HN 0.325 nan 8.150 nan 0.000 0.442 51 I N 0.274 120.673 120.570 -0.286 0.000 2.264 51 I HA -0.293 3.873 4.170 -0.007 0.000 0.248 51 I C 2.347 178.091 176.117 -0.621 0.000 1.111 51 I CA 1.639 62.520 61.300 -0.700 0.000 1.382 51 I CB -0.459 37.334 38.000 -0.346 0.000 1.060 51 I HN 0.435 nan 8.210 nan 0.000 0.418 52 N N 1.148 119.672 118.700 -0.294 0.000 2.258 52 N HA -0.212 4.524 4.740 -0.007 0.000 0.187 52 N C 1.749 177.158 175.510 -0.168 0.000 1.012 52 N CA 1.366 54.304 53.050 -0.188 0.000 0.870 52 N CB 0.023 38.451 38.487 -0.099 0.000 0.977 52 N HN 0.107 nan 8.380 nan 0.000 0.434 53 R N -0.420 119.982 120.500 -0.162 0.000 2.299 53 R HA -0.007 4.329 4.340 -0.007 0.000 0.197 53 R C 0.220 176.554 176.300 0.058 0.000 0.971 53 R CA 0.377 56.456 56.100 -0.034 0.000 1.030 53 R CB -0.385 29.936 30.300 0.035 0.000 0.932 53 R HN 0.650 nan 8.270 nan 0.000 0.477 54 Y N -2.197 118.107 120.300 0.007 0.000 2.696 54 Y HA 0.297 4.843 4.550 -0.007 0.000 0.255 54 Y C 1.009 176.928 175.900 0.031 0.000 1.103 54 Y CA -0.419 57.691 58.100 0.016 0.000 1.126 54 Y CB -0.312 38.158 38.460 0.016 0.000 1.197 54 Y HN -0.176 nan 8.280 nan 0.000 0.574 55 T N -3.509 111.040 114.554 -0.009 0.000 2.995 55 T HA 0.233 4.579 4.350 -0.007 0.000 0.269 55 T C 1.849 176.649 174.700 0.167 0.000 1.091 55 T CA 0.935 63.057 62.100 0.037 0.000 1.128 55 T CB -0.453 68.379 68.868 -0.060 0.000 0.891 55 T HN 1.138 nan 8.240 nan 0.000 0.492 56 G N 1.268 110.143 108.800 0.126 0.000 2.176 56 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.253 56 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.253 56 G C -0.003 174.896 174.900 -0.002 0.000 0.979 56 G CA 0.022 45.223 45.100 0.168 0.000 0.641 56 G HN 0.655 nan 8.290 nan 0.000 0.530 57 I N 0.942 121.398 120.570 -0.190 0.000 2.321 57 I HA 0.323 4.489 4.170 -0.007 0.000 0.291 57 I C 1.189 177.198 176.117 -0.179 0.000 0.998 57 I CA -0.415 60.676 61.300 -0.347 0.000 1.227 57 I CB 1.506 39.211 38.000 -0.491 0.000 1.368 57 I HN 0.094 nan 8.210 nan 0.000 0.466 58 D N 4.182 124.490 120.400 -0.152 0.000 2.162 58 D HA -0.030 4.606 4.640 -0.007 0.000 0.205 58 D C 0.163 176.392 176.300 -0.118 0.000 0.964 58 D CA 1.463 55.399 54.000 -0.107 0.000 0.847 58 D CB 0.613 41.360 40.800 -0.088 0.000 0.988 58 D HN 0.364 nan 8.370 nan 0.000 0.480 59 Q N 0.018 119.722 119.800 -0.160 0.000 2.309 59 Q HA 0.405 4.740 4.340 -0.007 0.000 0.273 59 Q C -0.969 174.933 176.000 -0.162 0.000 1.040 59 Q CA -0.487 55.227 55.803 -0.149 0.000 0.834 59 Q CB 2.282 30.914 28.738 -0.177 0.000 1.345 59 Q HN 0.101 nan 8.270 nan 0.000 0.414 60 R N 0.693 121.135 120.500 -0.097 0.000 2.343 60 R HA 0.496 4.832 4.340 -0.007 0.000 0.320 60 R C -0.329 175.975 176.300 0.007 0.000 0.956 60 R CA -0.435 55.637 56.100 -0.047 0.000 0.836 60 R CB 1.583 31.872 30.300 -0.019 0.000 1.151 60 R HN 0.469 nan 8.270 nan 0.000 0.450 61 S N 1.233 116.964 115.700 0.052 0.000 2.549 61 S HA 0.149 4.615 4.470 -0.007 0.000 0.283 61 S C -0.042 174.648 174.600 0.151 0.000 1.320 61 S CA 0.134 58.406 58.200 0.120 0.000 1.058 61 S CB 1.059 64.404 63.200 0.243 0.000 0.882 61 S HN 0.559 nan 8.310 nan 0.000 0.498 62 S N 0.802 116.598 115.700 0.159 0.000 2.556 62 S HA 0.387 4.852 4.470 -0.007 0.000 0.271 62 S C 0.687 175.418 174.600 0.218 0.000 1.135 62 S CA -0.859 57.434 58.200 0.155 0.000 0.858 62 S CB 0.569 63.845 63.200 0.127 0.000 1.114 62 S HN 0.588 nan 8.310 nan 0.000 0.468 63 I N 1.539 122.195 120.570 0.144 0.000 2.916 63 I HA 0.454 4.619 4.170 -0.007 0.000 0.267 63 I C 0.868 177.117 176.117 0.220 0.000 1.263 63 I CA 0.834 62.238 61.300 0.173 0.000 1.471 63 I CB -0.700 37.313 38.000 0.022 0.000 1.089 63 I HN 0.559 nan 8.210 nan 0.000 0.468 64 G N -0.332 108.528 108.800 0.100 0.000 2.649 64 G HA2 0.423 4.379 3.960 -0.007 0.000 0.290 64 G HA3 0.423 4.379 3.960 -0.007 0.000 0.290 64 G C -1.327 173.555 174.900 -0.030 0.000 1.426 64 G CA -0.870 44.202 45.100 -0.046 0.000 0.794 64 G HN 0.033 nan 8.290 nan 0.000 0.483 65 N N -0.148 118.493 118.700 -0.098 0.000 2.413 65 N HA 0.343 5.079 4.740 -0.007 0.000 0.266 65 N C -1.678 173.856 175.510 0.040 0.000 1.238 65 N CA -1.423 51.616 53.050 -0.019 0.000 0.972 65 N CB 1.367 39.818 38.487 -0.061 0.000 1.210 65 N HN 0.051 nan 8.380 nan 0.000 0.547 66 P HA -0.051 nan 4.420 nan 0.000 0.223 66 P C -0.150 177.200 177.300 0.084 0.000 1.144 66 P CA 1.221 64.363 63.100 0.070 0.000 0.783 66 P CB 0.245 31.980 31.700 0.059 0.000 0.771 67 D N -3.238 117.195 120.400 0.056 0.000 2.328 67 D HA -0.035 4.601 4.640 -0.007 0.000 0.221 67 D C 0.623 176.949 176.300 0.043 0.000 1.072 67 D CA 0.102 54.130 54.000 0.046 0.000 0.850 67 D CB -0.800 40.004 40.800 0.007 0.000 0.922 67 D HN 0.265 nan 8.370 nan 0.000 0.516 68 H N 2.287 121.343 119.070 -0.022 0.000 3.094 68 H HA -0.039 4.512 4.556 -0.007 0.000 0.320 68 H C -1.315 174.009 175.328 -0.007 0.000 1.000 68 H CA -0.611 55.418 56.048 -0.033 0.000 1.413 68 H CB 1.425 31.165 29.762 -0.036 0.000 1.405 68 H HN -0.047 nan 8.280 nan 0.000 0.586 69 P HA -0.191 nan 4.420 nan 0.000 0.218 69 P C 1.837 179.194 177.300 0.094 0.000 1.148 69 P CA 0.623 63.694 63.100 -0.047 0.000 0.822 69 P CB 0.278 31.896 31.700 -0.136 0.000 0.784 70 L N 0.805 122.207 121.223 0.299 0.000 2.083 70 L HA -0.106 4.230 4.340 -0.007 0.000 0.209 70 L C 2.093 179.016 176.870 0.089 0.000 1.083 70 L CA 1.706 56.664 54.840 0.197 0.000 0.752 70 L CB -0.848 41.338 42.059 0.212 0.000 0.899 70 L HN -0.098 nan 8.230 nan 0.000 0.433 71 V N -3.989 115.987 119.914 0.103 0.000 3.596 71 V HA 0.231 4.346 4.120 -0.007 0.000 0.289 71 V C 0.680 176.743 176.094 -0.052 0.000 1.336 71 V CA 0.607 62.915 62.300 0.012 0.000 1.137 71 V CB -0.911 30.937 31.823 0.041 0.000 0.966 71 V HN 0.470 nan 8.190 nan 0.000 0.428 72 N N 0.408 119.110 118.700 0.004 0.000 2.338 72 N HA 0.277 5.013 4.740 -0.007 0.000 0.251 72 N C -0.005 175.513 175.510 0.013 0.000 1.199 72 N CA -0.267 52.818 53.050 0.058 0.000 0.879 72 N CB 0.584 39.172 38.487 0.168 0.000 1.159 72 N HN 0.483 nan 8.380 nan 0.000 0.514 73 K N 0.470 120.818 120.400 -0.087 0.000 2.107 73 K HA 0.220 4.535 4.320 -0.007 0.000 0.251 73 K C -1.513 175.023 176.600 -0.106 0.000 1.012 73 K CA -1.697 54.553 56.287 -0.062 0.000 0.920 73 K CB 0.579 33.046 32.500 -0.054 0.000 1.033 73 K HN -0.160 nan 8.250 nan 0.000 0.478 74 P HA -0.171 nan 4.420 nan 0.000 0.216 74 P C -0.372 176.878 177.300 -0.083 0.000 1.153 74 P CA 1.471 64.559 63.100 -0.020 0.000 0.858 74 P CB 0.219 31.918 31.700 -0.002 0.000 0.789 75 N N -1.792 116.854 118.700 -0.091 0.000 2.432 75 N HA 0.334 5.069 4.740 -0.007 0.000 0.292 75 N C -2.679 172.756 175.510 -0.124 0.000 1.193 75 N CA -2.096 50.898 53.050 -0.094 0.000 0.878 75 N CB -0.076 38.379 38.487 -0.052 0.000 1.252 75 N HN -0.163 nan 8.380 nan 0.000 0.520 76 P HA 0.133 nan 4.420 nan 0.000 0.268 76 P C -2.360 174.904 177.300 -0.059 0.000 1.208 76 P CA -0.528 62.522 63.100 -0.084 0.000 0.777 76 P CB -0.295 31.379 31.700 -0.043 0.000 0.875 77 P HA 0.022 nan 4.420 nan 0.000 0.271 77 P C -0.076 177.206 177.300 -0.030 0.000 1.218 77 P CA 0.080 63.166 63.100 -0.022 0.000 0.780 77 P CB 0.138 31.840 31.700 0.003 0.000 0.901 78 T N -1.459 113.076 114.554 -0.032 0.000 2.788 78 T HA 0.043 4.388 4.350 -0.007 0.000 0.287 78 T C 1.270 175.937 174.700 -0.055 0.000 1.007 78 T CA -0.501 61.566 62.100 -0.055 0.000 1.005 78 T CB 0.458 69.295 68.868 -0.052 0.000 1.012 78 T HN 0.156 nan 8.240 nan 0.000 0.530 79 V N 0.957 120.802 119.914 -0.114 0.000 2.594 79 V HA -0.087 4.029 4.120 -0.007 0.000 0.253 79 V C 2.646 178.723 176.094 -0.029 0.000 1.069 79 V CA 2.350 64.566 62.300 -0.141 0.000 1.082 79 V CB -0.988 30.628 31.823 -0.345 0.000 0.680 79 V HN 1.016 nan 8.190 nan 0.000 0.469 80 K N -0.180 120.207 120.400 -0.022 0.000 2.025 80 K HA -0.203 4.112 4.320 -0.007 0.000 0.207 80 K C 2.029 178.683 176.600 0.090 0.000 1.049 80 K CA 2.047 58.357 56.287 0.038 0.000 0.933 80 K CB -0.210 32.294 32.500 0.008 0.000 0.714 80 K HN 0.644 nan 8.250 nan 0.000 0.438 81 E N 0.692 120.922 120.200 0.050 0.000 2.150 81 E HA -0.161 4.185 4.350 -0.007 0.000 0.193 81 E C 2.085 178.731 176.600 0.077 0.000 0.985 81 E CA 0.963 57.396 56.400 0.055 0.000 0.814 81 E CB -0.035 29.683 29.700 0.030 0.000 0.752 81 E HN 0.296 nan 8.360 nan 0.000 0.466 82 L N 0.575 121.851 121.223 0.089 0.000 2.017 82 L HA -0.216 4.120 4.340 -0.007 0.000 0.208 82 L C 2.790 179.771 176.870 0.184 0.000 1.073 82 L CA 1.352 56.271 54.840 0.132 0.000 0.745 82 L CB -0.675 41.474 42.059 0.150 0.000 0.894 82 L HN 0.333 nan 8.230 nan 0.000 0.432 83 H N 0.842 119.973 119.070 0.101 0.000 2.352 83 H HA -0.192 4.361 4.556 -0.006 0.000 0.299 83 H C 1.965 177.371 175.328 0.131 0.000 1.097 83 H CA 2.014 58.128 56.048 0.110 0.000 1.311 83 H CB 0.221 30.016 29.762 0.056 0.000 1.377 83 H HN 0.455 nan 8.280 nan 0.000 0.504 84 E N -0.060 120.125 120.200 -0.025 0.000 2.085 84 E HA -0.131 4.214 4.350 -0.007 0.000 0.194 84 E C 2.453 179.016 176.600 -0.060 0.000 0.994 84 E CA 1.407 57.761 56.400 -0.077 0.000 0.801 84 E CB 0.134 29.844 29.700 0.017 0.000 0.743 84 E HN 0.282 nan 8.360 nan 0.000 0.453 85 V N 0.557 120.480 119.914 0.015 0.000 2.649 85 V HA -0.159 3.957 4.120 -0.007 0.000 0.248 85 V C 1.841 177.947 176.094 0.019 0.000 1.054 85 V CA 1.071 63.388 62.300 0.028 0.000 1.073 85 V CB -0.415 31.436 31.823 0.047 0.000 0.699 85 V HN 0.208 nan 8.190 nan 0.000 0.463 86 F N 0.302 120.195 119.950 -0.095 0.000 2.120 86 F HA -0.266 4.257 4.527 -0.006 0.000 0.300 86 F C 2.376 178.084 175.800 -0.153 0.000 1.095 86 F CA 1.930 59.864 58.000 -0.110 0.000 1.249 86 F CB -0.028 38.927 39.000 -0.074 0.000 0.995 86 F HN 0.060 nan 8.300 nan 0.000 0.480 87 M N -0.240 119.335 119.600 -0.043 0.000 2.156 87 M HA -0.100 4.375 4.480 -0.007 0.000 0.264 87 M C 2.551 178.781 176.300 -0.116 0.000 1.067 87 M CA 1.698 56.921 55.300 -0.130 0.000 1.131 87 M CB -1.663 30.760 32.600 -0.295 0.000 1.368 87 M HN 0.322 nan 8.290 nan 0.000 0.416 88 S N -0.345 115.302 115.700 -0.087 0.000 2.395 88 S HA -0.083 4.382 4.470 -0.007 0.000 0.225 88 S C 1.177 175.754 174.600 -0.039 0.000 1.027 88 S CA 1.432 59.605 58.200 -0.046 0.000 0.965 88 S CB -0.229 62.963 63.200 -0.013 0.000 0.812 88 S HN 0.389 nan 8.310 nan 0.000 0.482 89 D N 0.577 120.939 120.400 -0.062 0.000 2.455 89 D HA 0.291 4.926 4.640 -0.007 0.000 0.228 89 D C 1.970 178.187 176.300 -0.139 0.000 1.070 89 D CA 0.664 54.632 54.000 -0.053 0.000 0.881 89 D CB -0.199 40.597 40.800 -0.007 0.000 1.087 89 D HN 0.452 nan 8.370 nan 0.000 0.498 90 G N 0.468 109.096 108.800 -0.287 0.000 2.417 90 G HA2 -0.107 3.849 3.960 -0.007 0.000 0.212 90 G HA3 -0.107 3.849 3.960 -0.007 0.000 0.212 90 G C 1.674 176.335 174.900 -0.399 0.000 1.187 90 G CA 0.241 45.038 45.100 -0.505 0.000 0.804 90 G HN 0.133 nan 8.290 nan 0.000 0.534 91 V N 2.248 121.975 119.914 -0.311 0.000 2.324 91 V HA -0.129 3.986 4.120 -0.007 0.000 0.250 91 V C 0.268 176.340 176.094 -0.036 0.000 1.060 91 V CA 2.367 64.609 62.300 -0.096 0.000 1.042 91 V CB -0.986 30.852 31.823 0.026 0.000 0.650 91 V HN 0.285 nan 8.190 nan 0.000 0.450 92 P HA -0.140 nan 4.420 nan 0.000 0.216 92 P C 1.849 179.133 177.300 -0.027 0.000 1.150 92 P CA 1.375 64.464 63.100 -0.018 0.000 0.837 92 P CB -0.072 31.619 31.700 -0.014 0.000 0.786 93 L N -1.038 120.148 121.223 -0.061 0.000 2.017 93 L HA -0.183 4.153 4.340 -0.007 0.000 0.208 93 L C 2.519 179.361 176.870 -0.047 0.000 1.073 93 L CA 1.747 56.548 54.840 -0.065 0.000 0.745 93 L CB -1.392 40.604 42.059 -0.105 0.000 0.894 93 L HN -0.042 nan 8.230 nan 0.000 0.432 94 A N -0.196 122.600 122.820 -0.039 0.000 1.902 94 A HA -0.137 4.179 4.320 -0.007 0.000 0.217 94 A C 2.363 179.977 177.584 0.050 0.000 1.181 94 A CA 1.738 53.796 52.037 0.035 0.000 0.623 94 A CB -0.827 18.253 19.000 0.134 0.000 0.818 94 A HN 0.189 nan 8.150 nan 0.000 0.443 95 V N 0.044 119.983 119.914 0.042 0.000 2.295 95 V HA -0.256 3.860 4.120 -0.007 0.000 0.246 95 V C 2.633 178.736 176.094 0.016 0.000 1.049 95 V CA 2.500 64.820 62.300 0.035 0.000 1.024 95 V CB -0.704 31.140 31.823 0.035 0.000 0.648 95 V HN 0.727 nan 8.190 nan 0.000 0.447 96 E N 0.669 120.872 120.200 0.005 0.000 2.072 96 E HA -0.143 4.203 4.350 -0.007 0.000 0.191 96 E C 2.136 178.733 176.600 -0.004 0.000 0.985 96 E CA 1.591 57.990 56.400 -0.001 0.000 0.801 96 E CB -0.541 29.155 29.700 -0.006 0.000 0.750 96 E HN 0.485 nan 8.360 nan 0.000 0.452 97 A N 0.024 122.838 122.820 -0.009 0.000 1.883 97 A HA -0.214 4.101 4.320 -0.007 0.000 0.217 97 A C 2.454 180.037 177.584 -0.000 0.000 1.186 97 A CA 2.170 54.202 52.037 -0.009 0.000 0.624 97 A CB -0.893 18.099 19.000 -0.013 0.000 0.822 97 A HN 0.316 nan 8.150 nan 0.000 0.444 98 S N -0.608 115.098 115.700 0.010 0.000 2.368 98 S HA -0.151 4.315 4.470 -0.007 0.000 0.225 98 S C 2.064 176.661 174.600 -0.005 0.000 1.030 98 S CA 1.293 59.496 58.200 0.005 0.000 0.999 98 S CB -0.336 62.873 63.200 0.016 0.000 0.844 98 S HN 0.587 nan 8.310 nan 0.000 0.459 99 R N 1.212 121.710 120.500 -0.002 0.000 2.083 99 R HA -0.078 4.258 4.340 -0.007 0.000 0.237 99 R C 2.373 178.668 176.300 -0.009 0.000 1.137 99 R CA 1.402 57.499 56.100 -0.005 0.000 0.951 99 R CB -0.255 30.044 30.300 -0.002 0.000 0.851 99 R HN 0.367 nan 8.270 nan 0.000 0.434 100 K N 0.131 120.526 120.400 -0.008 0.000 2.057 100 K HA -0.115 4.200 4.320 -0.007 0.000 0.207 100 K C 2.184 178.774 176.600 -0.017 0.000 1.049 100 K CA 1.415 57.696 56.287 -0.010 0.000 0.931 100 K CB -0.186 32.310 32.500 -0.007 0.000 0.714 100 K HN 0.156 nan 8.250 nan 0.000 0.440 101 A N 1.389 124.195 122.820 -0.023 0.000 1.865 101 A HA -0.207 4.109 4.320 -0.007 0.000 0.217 101 A C 2.173 179.736 177.584 -0.036 0.000 1.191 101 A CA 1.795 53.809 52.037 -0.038 0.000 0.623 101 A CB -0.540 18.428 19.000 -0.054 0.000 0.826 101 A HN 0.196 nan 8.150 nan 0.000 0.444 102 M N -0.551 119.031 119.600 -0.028 0.000 2.159 102 M HA -0.126 4.349 4.480 -0.007 0.000 0.263 102 M C 2.509 178.796 176.300 -0.021 0.000 1.063 102 M CA 1.358 56.643 55.300 -0.025 0.000 1.110 102 M CB -0.436 32.152 32.600 -0.020 0.000 1.374 102 M HN 0.485 nan 8.290 nan 0.000 0.411 103 A N 0.158 122.967 122.820 -0.018 0.000 1.877 103 A HA -0.222 4.093 4.320 -0.007 0.000 0.216 103 A C 2.012 179.585 177.584 -0.018 0.000 1.186 103 A CA 2.022 54.050 52.037 -0.015 0.000 0.620 103 A CB -0.789 18.204 19.000 -0.011 0.000 0.822 103 A HN 0.565 nan 8.150 nan 0.000 0.443 104 E N -0.243 119.944 120.200 -0.021 0.000 2.106 104 E HA -0.082 4.264 4.350 -0.007 0.000 0.192 104 E C 1.887 178.469 176.600 -0.029 0.000 0.984 104 E CA 0.884 57.269 56.400 -0.025 0.000 0.806 104 E CB -0.219 29.464 29.700 -0.028 0.000 0.750 104 E HN 0.534 nan 8.360 nan 0.000 0.458 105 A N 0.576 123.377 122.820 -0.030 0.000 2.209 105 A HA 0.006 4.322 4.320 -0.007 0.000 0.212 105 A C 0.699 178.269 177.584 -0.024 0.000 1.158 105 A CA 0.596 52.615 52.037 -0.031 0.000 0.742 105 A CB -0.236 18.744 19.000 -0.035 0.000 0.790 105 A HN 0.299 nan 8.150 nan 0.000 0.472 106 R N -2.024 118.463 120.500 -0.021 0.000 3.333 106 R HA -0.141 4.195 4.340 -0.007 0.000 0.256 106 R C -0.985 175.306 176.300 -0.015 0.000 1.010 106 R CA 0.742 56.832 56.100 -0.017 0.000 0.680 106 R CB -2.444 27.847 30.300 -0.016 0.000 1.102 106 R HN 0.548 nan 8.270 nan 0.000 0.440 107 L N -0.489 120.725 121.223 -0.016 0.000 2.342 107 L HA 0.705 5.041 4.340 -0.007 0.000 0.271 107 L C 0.659 177.521 176.870 -0.013 0.000 1.008 107 L CA -1.419 53.413 54.840 -0.014 0.000 0.818 107 L CB 1.787 43.836 42.059 -0.016 0.000 1.296 107 L HN -0.013 nan 8.230 nan 0.000 0.427 108 V N -0.439 119.468 119.914 -0.011 0.000 2.837 108 V HA 0.423 4.539 4.120 -0.007 0.000 0.310 108 V C -2.011 174.075 176.094 -0.014 0.000 1.059 108 V CA -1.491 60.802 62.300 -0.012 0.000 1.004 108 V CB 0.996 32.813 31.823 -0.010 0.000 1.045 108 V HN 0.552 nan 8.190 nan 0.000 0.465 109 P HA -0.210 nan 4.420 nan 0.000 0.218 109 P C 1.596 178.883 177.300 -0.021 0.000 1.154 109 P CA 2.699 65.787 63.100 -0.020 0.000 0.872 109 P CB -0.030 31.658 31.700 -0.021 0.000 0.790 110 A N -0.684 122.125 122.820 -0.017 0.000 2.070 110 A HA -0.236 4.080 4.320 -0.007 0.000 0.220 110 A C 2.096 179.672 177.584 -0.013 0.000 1.159 110 A CA 1.421 53.448 52.037 -0.016 0.000 0.656 110 A CB -1.070 17.922 19.000 -0.013 0.000 0.800 110 A HN 0.278 nan 8.150 nan 0.000 0.453 111 Q N -0.540 119.255 119.800 -0.010 0.000 2.435 111 Q HA 0.086 4.422 4.340 -0.007 0.000 0.207 111 Q C -0.211 175.787 176.000 -0.003 0.000 0.956 111 Q CA 0.001 55.802 55.803 -0.003 0.000 0.917 111 Q CB 0.063 28.799 28.738 -0.003 0.000 0.997 111 Q HN 0.486 nan 8.270 nan 0.000 0.497 112 I N 1.954 122.517 120.570 -0.013 0.000 2.436 112 I HA -0.044 4.122 4.170 -0.007 0.000 0.289 112 I C 1.507 177.608 176.117 -0.026 0.000 1.083 112 I CA 0.620 61.911 61.300 -0.015 0.000 1.372 112 I CB 0.729 38.715 38.000 -0.023 0.000 1.408 112 I HN 0.164 nan 8.210 nan 0.000 0.516 113 T N 2.617 117.163 114.554 -0.014 0.000 3.039 113 T HA 0.130 4.476 4.350 -0.007 0.000 0.250 113 T C 0.520 175.046 174.700 -0.289 0.000 1.052 113 T CA 0.431 62.469 62.100 -0.103 0.000 1.125 113 T CB 0.096 68.938 68.868 -0.044 0.000 0.908 113 T HN 0.592 nan 8.240 nan 0.000 0.473 114 H N -0.355 118.643 119.070 -0.121 0.000 2.985 114 H HA 0.735 5.286 4.556 -0.007 0.000 0.360 114 H C -1.196 174.076 175.328 -0.093 0.000 1.221 114 H CA -0.984 54.993 56.048 -0.119 0.000 1.121 114 H CB 1.885 31.551 29.762 -0.161 0.000 1.854 114 H HN 0.193 nan 8.280 nan 0.000 0.551 115 M N 1.905 121.541 119.600 0.060 0.000 2.267 115 M HA 0.554 5.030 4.480 -0.007 0.000 0.289 115 M C -1.953 174.346 176.300 -0.002 0.000 1.043 115 M CA -0.829 54.473 55.300 0.004 0.000 0.928 115 M CB 1.456 34.038 32.600 -0.031 0.000 1.613 115 M HN 0.384 nan 8.290 nan 0.000 0.450 116 V N 3.604 123.512 119.914 -0.010 0.000 2.407 116 V HA 0.593 4.708 4.120 -0.007 0.000 0.291 116 V C -0.577 175.525 176.094 0.013 0.000 1.018 116 V CA -0.442 61.852 62.300 -0.010 0.000 0.842 116 V CB 1.656 33.463 31.823 -0.027 0.000 0.996 116 V HN 0.939 nan 8.190 nan 0.000 0.426 117 S N 2.635 118.335 115.700 0.002 0.000 2.566 117 S HA 0.821 5.286 4.470 -0.007 0.000 0.298 117 S C -0.286 174.367 174.600 0.090 0.000 1.083 117 S CA -0.608 57.611 58.200 0.033 0.000 0.978 117 S CB 2.257 65.377 63.200 -0.132 0.000 1.073 117 S HN 0.786 nan 8.310 nan 0.000 0.491 118 T N 0.621 115.288 114.554 0.187 0.000 2.900 118 T HA 0.762 5.108 4.350 -0.007 0.000 0.303 118 T C -1.351 173.500 174.700 0.251 0.000 1.142 118 T CA -0.282 61.916 62.100 0.163 0.000 1.007 118 T CB 1.879 70.762 68.868 0.025 0.000 1.156 118 T HN 0.660 nan 8.240 nan 0.000 0.490 119 T N 0.567 115.213 114.554 0.153 0.000 2.893 119 T HA 0.393 4.738 4.350 -0.007 0.000 0.337 119 T C 0.292 174.907 174.700 -0.141 0.000 1.587 119 T CA -0.136 61.982 62.100 0.030 0.000 1.066 119 T CB 0.327 69.234 68.868 0.066 0.000 1.414 119 T HN 0.990 nan 8.240 nan 0.000 0.488 120 C N 1.295 120.442 119.300 -0.254 0.000 3.243 120 C HA 0.455 4.910 4.460 -0.007 0.000 0.286 120 C C 1.546 176.178 174.990 -0.598 0.000 1.373 120 C CA 0.551 59.306 59.018 -0.439 0.000 1.749 120 C CB -1.651 25.884 27.740 -0.342 0.000 2.313 120 C HN 0.930 nan 8.230 nan 0.000 0.644 121 T N -3.178 111.101 114.554 -0.458 0.000 3.174 121 T HA 0.359 4.704 4.350 -0.007 0.000 0.269 121 T C -0.629 173.710 174.700 -0.602 0.000 1.017 121 T CA 0.199 62.044 62.100 -0.424 0.000 0.899 121 T CB 0.024 68.902 68.868 0.017 0.000 1.077 121 T HN 0.514 nan 8.240 nan 0.000 0.552 122 D N 0.186 120.099 120.400 -0.812 0.000 2.655 122 D HA 0.572 5.208 4.640 -0.007 0.000 0.229 122 D C -1.685 174.547 176.300 -0.113 0.000 1.229 122 D CA -0.336 53.309 54.000 -0.591 0.000 0.807 122 D CB 2.336 42.236 40.800 -1.501 0.000 1.514 122 D HN 0.054 nan 8.370 nan 0.000 0.444 123 S N 0.902 116.693 115.700 0.152 0.000 2.571 123 S HA 0.912 5.378 4.470 -0.007 0.000 0.284 123 S C -1.720 172.856 174.600 -0.039 0.000 1.128 123 S CA -0.040 58.227 58.200 0.111 0.000 0.970 123 S CB 0.930 64.267 63.200 0.228 0.000 1.039 123 S HN 0.854 nan 8.310 nan 0.000 0.485 124 A N 3.838 126.635 122.820 -0.038 0.000 2.599 124 A HA 0.746 5.061 4.320 -0.007 0.000 0.294 124 A C -1.874 175.715 177.584 0.008 0.000 1.055 124 A CA -1.008 50.988 52.037 -0.069 0.000 0.683 124 A CB 1.276 20.317 19.000 0.069 0.000 1.278 124 A HN 0.779 nan 8.150 nan 0.000 0.412 125 N N 1.688 120.388 118.700 -0.000 0.000 2.519 125 N HA 0.616 5.351 4.740 -0.007 0.000 0.286 125 N C -2.927 172.600 175.510 0.030 0.000 1.079 125 N CA -0.800 52.255 53.050 0.009 0.000 0.878 125 N CB 1.439 39.909 38.487 -0.027 0.000 1.375 125 N HN 0.552 nan 8.380 nan 0.000 0.514 126 P HA 0.204 nan 4.420 nan 0.000 0.268 126 P C 0.589 178.000 177.300 0.186 0.000 1.208 126 P CA -0.378 62.722 63.100 -0.001 0.000 0.777 126 P CB 0.411 31.935 31.700 -0.293 0.000 0.875 127 G N 0.274 109.159 108.800 0.142 0.000 2.667 127 G HA2 0.103 4.059 3.960 -0.007 0.000 0.250 127 G HA3 0.103 4.059 3.960 -0.007 0.000 0.250 127 G C 0.511 175.637 174.900 0.377 0.000 1.212 127 G CA -0.361 44.871 45.100 0.220 0.000 0.874 127 G HN 0.696 nan 8.290 nan 0.000 0.561 128 Y N -0.545 119.974 120.300 0.366 0.000 2.333 128 Y HA -0.172 4.374 4.550 -0.008 0.000 0.290 128 Y C 2.172 178.300 175.900 0.379 0.000 1.144 128 Y CA 1.667 60.049 58.100 0.470 0.000 1.228 128 Y CB -0.256 38.518 38.460 0.524 0.000 0.985 128 Y HN 0.462 nan 8.280 nan 0.000 0.542 129 D N -0.068 120.054 120.400 -0.464 0.000 2.149 129 D HA -0.329 4.306 4.640 -0.007 0.000 0.198 129 D C 2.016 178.257 176.300 -0.098 0.000 0.990 129 D CA 2.013 55.777 54.000 -0.393 0.000 0.839 129 D CB -1.195 39.369 40.800 -0.394 0.000 0.948 129 D HN 0.666 nan 8.370 nan 0.000 0.460 130 H N 0.253 119.251 119.070 -0.120 0.000 2.319 130 H HA -0.212 4.340 4.556 -0.006 0.000 0.299 130 H C 1.664 176.861 175.328 -0.220 0.000 1.092 130 H CA 1.744 57.661 56.048 -0.217 0.000 1.302 130 H CB -0.395 29.142 29.762 -0.376 0.000 1.373 130 H HN 0.231 nan 8.280 nan 0.000 0.497 131 Y N -0.026 120.360 120.300 0.143 0.000 2.263 131 Y HA -0.130 4.415 4.550 -0.008 0.000 0.292 131 Y C 3.053 178.970 175.900 0.029 0.000 1.130 131 Y CA 0.957 59.127 58.100 0.116 0.000 1.179 131 Y CB -0.371 38.214 38.460 0.208 0.000 0.998 131 Y HN -0.006 nan 8.280 nan 0.000 0.532 132 V N -0.140 119.884 119.914 0.183 0.000 2.295 132 V HA -0.325 3.791 4.120 -0.007 0.000 0.246 132 V C 2.534 178.628 176.094 -0.001 0.000 1.049 132 V CA 1.751 64.111 62.300 0.101 0.000 1.024 132 V CB -1.356 30.537 31.823 0.116 0.000 0.648 132 V HN 0.456 nan 8.190 nan 0.000 0.447 133 A N -0.275 122.499 122.820 -0.076 0.000 1.908 133 A HA -0.285 4.031 4.320 -0.007 0.000 0.218 133 A C 2.359 179.859 177.584 -0.140 0.000 1.181 133 A CA 2.295 54.261 52.037 -0.119 0.000 0.627 133 A CB -0.518 18.383 19.000 -0.166 0.000 0.818 133 A HN 0.523 nan 8.150 nan 0.000 0.445 134 K N -0.712 119.559 120.400 -0.214 0.000 2.026 134 K HA -0.179 4.136 4.320 -0.007 0.000 0.208 134 K C 1.939 178.500 176.600 -0.064 0.000 1.048 134 K CA 1.488 57.666 56.287 -0.181 0.000 0.929 134 K CB -0.140 32.210 32.500 -0.250 0.000 0.713 134 K HN 0.360 nan 8.250 nan 0.000 0.439 135 E N 0.815 121.006 120.200 -0.016 0.000 2.110 135 E HA -0.159 4.187 4.350 -0.007 0.000 0.193 135 E C 1.984 178.583 176.600 -0.001 0.000 0.988 135 E CA 0.948 57.356 56.400 0.014 0.000 0.804 135 E CB -0.063 29.665 29.700 0.046 0.000 0.745 135 E HN 0.385 nan 8.360 nan 0.000 0.458 136 L N -0.582 120.633 121.223 -0.013 0.000 2.376 136 L HA 0.020 4.355 4.340 -0.007 0.000 0.219 136 L C 1.359 178.215 176.870 -0.024 0.000 1.133 136 L CA 0.579 55.410 54.840 -0.015 0.000 0.816 136 L CB -0.284 41.764 42.059 -0.018 0.000 0.933 136 L HN 0.207 nan 8.230 nan 0.000 0.449 137 G N 0.686 109.465 108.800 -0.035 0.000 2.198 137 G HA2 -0.258 3.698 3.960 -0.007 0.000 0.257 137 G HA3 -0.258 3.698 3.960 -0.007 0.000 0.257 137 G C 0.230 175.104 174.900 -0.044 0.000 1.042 137 G CA -0.169 44.908 45.100 -0.037 0.000 0.791 137 G HN 0.206 nan 8.290 nan 0.000 0.502 138 L N 0.134 121.323 121.223 -0.057 0.000 2.474 138 L HA 0.402 4.738 4.340 -0.007 0.000 0.259 138 L C 1.627 178.460 176.870 -0.062 0.000 1.232 138 L CA 0.172 54.977 54.840 -0.058 0.000 0.821 138 L CB 0.503 42.522 42.059 -0.066 0.000 1.108 138 L HN 0.328 nan 8.230 nan 0.000 0.495 139 S N 0.203 115.870 115.700 -0.055 0.000 2.568 139 S HA -0.060 4.406 4.470 -0.007 0.000 0.282 139 S C 0.926 175.492 174.600 -0.057 0.000 1.338 139 S CA -0.414 57.757 58.200 -0.050 0.000 1.045 139 S CB 0.482 63.654 63.200 -0.046 0.000 0.873 139 S HN 0.745 nan 8.310 nan 0.000 0.516 140 D N 3.386 123.758 120.400 -0.046 0.000 2.371 140 D HA -0.060 4.575 4.640 -0.007 0.000 0.221 140 D C 1.014 177.291 176.300 -0.037 0.000 0.986 140 D CA 0.547 54.523 54.000 -0.041 0.000 0.899 140 D CB -0.008 40.775 40.800 -0.028 0.000 0.902 140 D HN 0.415 nan 8.370 nan 0.000 0.530 141 R N 0.004 120.479 120.500 -0.042 0.000 2.393 141 R HA 0.200 4.536 4.340 -0.007 0.000 0.244 141 R C 0.406 176.668 176.300 -0.064 0.000 0.920 141 R CA -0.680 55.394 56.100 -0.044 0.000 1.076 141 R CB -0.287 29.990 30.300 -0.038 0.000 1.119 141 R HN 0.213 nan 8.270 nan 0.000 0.524 142 L N 2.568 123.748 121.223 -0.071 0.000 2.578 142 L HA -0.039 4.297 4.340 -0.007 0.000 0.279 142 L C 0.046 176.859 176.870 -0.095 0.000 1.227 142 L CA 0.636 55.421 54.840 -0.092 0.000 0.900 142 L CB 0.318 42.328 42.059 -0.081 0.000 1.144 142 L HN 0.067 nan 8.230 nan 0.000 0.496 143 E N 5.851 125.963 120.200 -0.146 0.000 2.152 143 E HA 0.226 4.572 4.350 -0.007 0.000 0.285 143 E C -0.743 175.831 176.600 -0.043 0.000 1.043 143 E CA -0.331 56.005 56.400 -0.107 0.000 0.839 143 E CB 0.721 30.319 29.700 -0.171 0.000 1.069 143 E HN 0.498 nan 8.360 nan 0.000 0.399 144 K N 1.825 122.210 120.400 -0.024 0.000 2.207 144 K HA 0.541 4.857 4.320 -0.007 0.000 0.255 144 K C -0.903 175.693 176.600 -0.006 0.000 0.941 144 K CA -0.840 55.435 56.287 -0.019 0.000 0.825 144 K CB 2.283 34.762 32.500 -0.035 0.000 1.119 144 K HN 0.159 nan 8.250 nan 0.000 0.430 145 V N 3.584 123.492 119.914 -0.009 0.000 2.483 145 V HA 0.250 4.366 4.120 -0.007 0.000 0.297 145 V C -1.262 174.823 176.094 -0.015 0.000 1.027 145 V CA -0.896 61.400 62.300 -0.006 0.000 0.855 145 V CB 1.604 33.425 31.823 -0.003 0.000 0.995 145 V HN 0.524 nan 8.190 nan 0.000 0.424 146 L N 6.961 128.181 121.223 -0.006 0.000 2.295 146 L HA 0.589 4.924 4.340 -0.007 0.000 0.281 146 L C -0.485 176.416 176.870 0.053 0.000 1.018 146 L CA 0.145 54.990 54.840 0.009 0.000 0.841 146 L CB 0.938 42.996 42.059 -0.002 0.000 1.218 146 L HN 0.516 nan 8.230 nan 0.000 0.424 147 L N 5.093 126.353 121.223 0.062 0.000 2.397 147 L HA 0.382 4.717 4.340 -0.007 0.000 0.271 147 L C 0.072 177.022 176.870 0.134 0.000 1.148 147 L CA -0.229 54.652 54.840 0.069 0.000 0.825 147 L CB 0.649 42.722 42.059 0.023 0.000 1.117 147 L HN 0.624 nan 8.230 nan 0.000 0.456 148 H N 0.527 119.595 119.070 -0.003 0.000 2.949 148 H HA 0.343 4.895 4.556 -0.007 0.000 0.356 148 H C 0.562 175.883 175.328 -0.012 0.000 1.212 148 H CA 0.324 56.366 56.048 -0.010 0.000 1.136 148 H CB 2.441 32.205 29.762 0.004 0.000 1.869 148 H HN 0.657 nan 8.280 nan 0.000 0.556 149 G N 1.506 110.147 108.800 -0.264 0.000 2.176 149 G HA2 -0.254 3.701 3.960 -0.007 0.000 0.253 149 G HA3 -0.254 3.701 3.960 -0.007 0.000 0.253 149 G C 0.836 175.678 174.900 -0.096 0.000 0.979 149 G CA 0.692 45.728 45.100 -0.105 0.000 0.641 149 G HN 0.660 nan 8.290 nan 0.000 0.530 150 I N -1.969 118.521 120.570 -0.132 0.000 4.288 150 I HA 0.552 4.717 4.170 -0.007 0.000 0.331 150 I C 1.317 177.354 176.117 -0.134 0.000 1.322 150 I CA 0.458 61.697 61.300 -0.102 0.000 1.149 150 I CB 0.257 38.206 38.000 -0.084 0.000 1.112 150 I HN 1.234 nan 8.210 nan 0.000 0.403 154 G N 2.086 110.755 108.800 -0.219 0.000 2.469 154 G HA2 0.097 4.053 3.960 -0.007 0.000 0.220 154 G HA3 0.097 4.053 3.960 -0.007 0.000 0.220 154 G C 1.359 176.128 174.900 -0.219 0.000 1.136 154 G CA 1.184 46.174 45.100 -0.183 0.000 0.759 154 G HN 0.880 nan 8.290 nan 0.000 0.562 155 G N 0.908 109.501 108.800 -0.345 0.000 2.480 155 G HA2 -0.180 3.776 3.960 -0.007 0.000 0.216 155 G HA3 -0.180 3.776 3.960 -0.007 0.000 0.216 155 G C 1.770 176.461 174.900 -0.349 0.000 1.200 155 G CA 0.815 45.569 45.100 -0.577 0.000 0.782 155 G HN 0.415 nan 8.290 nan 0.000 0.554 156 L N 0.601 121.677 121.223 -0.245 0.000 2.156 156 L HA 0.034 4.369 4.340 -0.007 0.000 0.208 156 L C 3.378 180.178 176.870 -0.116 0.000 1.095 156 L CA 0.749 55.516 54.840 -0.121 0.000 0.770 156 L CB -0.377 41.610 42.059 -0.121 0.000 0.914 156 L HN 0.336 nan 8.230 nan 0.000 0.439 157 A N 0.285 123.026 122.820 -0.132 0.000 1.898 157 A HA -0.138 4.178 4.320 -0.007 0.000 0.216 157 A C 2.549 180.068 177.584 -0.108 0.000 1.181 157 A CA 1.617 53.583 52.037 -0.117 0.000 0.620 157 A CB -0.533 18.406 19.000 -0.102 0.000 0.819 157 A HN 0.381 nan 8.150 nan 0.000 0.442 158 A N -0.510 122.265 122.820 -0.075 0.000 1.902 158 A HA -0.020 4.296 4.320 -0.007 0.000 0.217 158 A C 2.128 179.692 177.584 -0.033 0.000 1.181 158 A CA 1.697 53.716 52.037 -0.030 0.000 0.623 158 A CB -0.608 18.412 19.000 0.033 0.000 0.818 158 A HN 0.634 nan 8.150 nan 0.000 0.443 159 L N -0.053 121.179 121.223 0.015 0.000 2.017 159 L HA -0.131 4.205 4.340 -0.007 0.000 0.208 159 L C 2.496 179.212 176.870 -0.256 0.000 1.073 159 L CA 2.509 57.324 54.840 -0.041 0.000 0.745 159 L CB -0.602 41.497 42.059 0.067 0.000 0.894 159 L HN 0.488 nan 8.230 nan 0.000 0.432 160 R N -1.382 118.917 120.500 -0.335 0.000 2.081 160 R HA -0.156 4.180 4.340 -0.007 0.000 0.235 160 R C 2.027 178.006 176.300 -0.535 0.000 1.131 160 R CA 1.993 57.707 56.100 -0.644 0.000 0.960 160 R CB -0.459 29.520 30.300 -0.534 0.000 0.856 160 R HN 0.417 nan 8.270 nan 0.000 0.436 161 T N 0.673 115.046 114.554 -0.302 0.000 2.684 161 T HA -0.134 4.212 4.350 -0.007 0.000 0.267 161 T C 1.833 176.392 174.700 -0.236 0.000 1.036 161 T CA 1.451 63.420 62.100 -0.217 0.000 1.148 161 T CB -0.341 68.449 68.868 -0.130 0.000 0.863 161 T HN 0.481 nan 8.240 nan 0.000 0.436 162 A N 1.417 124.097 122.820 -0.233 0.000 1.933 162 A HA 0.137 4.452 4.320 -0.007 0.000 0.218 162 A C 2.647 180.055 177.584 -0.294 0.000 1.175 162 A CA 1.846 53.737 52.037 -0.243 0.000 0.628 162 A CB -1.092 17.796 19.000 -0.187 0.000 0.814 162 A HN 0.513 nan 8.150 nan 0.000 0.444 163 A N 0.512 123.104 122.820 -0.379 0.000 1.883 163 A HA -0.231 4.085 4.320 -0.007 0.000 0.217 163 A C 1.942 179.361 177.584 -0.275 0.000 1.186 163 A CA 1.876 53.662 52.037 -0.418 0.000 0.624 163 A CB -0.672 17.775 19.000 -0.923 0.000 0.822 163 A HN 0.552 nan 8.150 nan 0.000 0.444 164 N N 0.158 118.689 118.700 -0.282 0.000 2.120 164 N HA -0.101 4.635 4.740 -0.007 0.000 0.188 164 N C 1.675 177.121 175.510 -0.107 0.000 1.024 164 N CA 1.433 54.417 53.050 -0.109 0.000 0.852 164 N CB -0.524 37.912 38.487 -0.085 0.000 1.003 164 N HN 0.527 nan 8.380 nan 0.000 0.424 165 L N 0.025 121.130 121.223 -0.196 0.000 2.056 165 L HA -0.132 4.204 4.340 -0.007 0.000 0.207 165 L C 2.495 179.160 176.870 -0.342 0.000 1.078 165 L CA 0.707 55.380 54.840 -0.280 0.000 0.749 165 L CB -0.499 41.302 42.059 -0.430 0.000 0.901 165 L HN 0.187 nan 8.230 nan 0.000 0.433 166 C N 0.097 119.207 119.300 -0.317 0.000 2.398 166 C HA -0.191 4.265 4.460 -0.007 0.000 0.276 166 C C 2.764 177.729 174.990 -0.042 0.000 1.222 166 C CA 0.814 59.712 59.018 -0.200 0.000 1.746 166 C CB -0.813 26.842 27.740 -0.142 0.000 2.039 166 C HN 0.428 nan 8.230 nan 0.000 0.470 167 L N 0.452 121.666 121.223 -0.014 0.000 2.141 167 L HA -0.014 4.322 4.340 -0.007 0.000 0.209 167 L C 2.766 179.676 176.870 0.067 0.000 1.094 167 L CA 1.454 56.323 54.840 0.047 0.000 0.763 167 L CB -1.037 41.069 42.059 0.078 0.000 0.908 167 L HN 0.513 nan 8.230 nan 0.000 0.437 168 G N -1.278 107.560 108.800 0.063 0.000 2.442 168 G HA2 -0.256 3.699 3.960 -0.007 0.000 0.219 168 G HA3 -0.256 3.699 3.960 -0.007 0.000 0.219 168 G C 1.415 176.430 174.900 0.192 0.000 1.141 168 G CA 0.611 45.779 45.100 0.113 0.000 0.763 168 G HN 0.453 nan 8.290 nan 0.000 0.554 169 H N -0.271 118.821 119.070 0.037 0.000 2.436 169 H HA -0.030 4.522 4.556 -0.007 0.000 0.294 169 H C 2.899 178.248 175.328 0.035 0.000 1.048 169 H CA 1.166 57.250 56.048 0.059 0.000 1.353 169 H CB 0.245 30.071 29.762 0.106 0.000 1.414 169 H HN 0.296 nan 8.280 nan 0.000 0.536 170 T N 0.783 115.420 114.554 0.137 0.000 2.720 170 T HA -0.190 4.155 4.350 -0.007 0.000 0.268 170 T C 2.304 177.032 174.700 0.047 0.000 1.037 170 T CA 1.071 63.216 62.100 0.075 0.000 1.144 170 T CB -0.410 68.495 68.868 0.062 0.000 0.864 170 T HN 0.429 nan 8.240 nan 0.000 0.444 171 A N 1.678 124.528 122.820 0.049 0.000 1.948 171 A HA -0.151 4.164 4.320 -0.007 0.000 0.220 171 A C 2.238 179.828 177.584 0.010 0.000 1.177 171 A CA 1.382 53.437 52.037 0.030 0.000 0.636 171 A CB -0.392 18.629 19.000 0.035 0.000 0.815 171 A HN 0.450 nan 8.150 nan 0.000 0.449 172 R N -1.611 118.886 120.500 -0.006 0.000 2.334 172 R HA 0.240 4.576 4.340 -0.007 0.000 0.216 172 R C 1.046 177.320 176.300 -0.042 0.000 0.905 172 R CA 0.470 56.545 56.100 -0.041 0.000 1.064 172 R CB 0.013 30.257 30.300 -0.093 0.000 1.046 172 R HN 0.674 nan 8.270 nan 0.000 0.508 173 G N 2.305 111.097 108.800 -0.014 0.000 2.221 173 G HA2 -0.321 3.635 3.960 -0.007 0.000 0.265 173 G HA3 -0.321 3.635 3.960 -0.007 0.000 0.265 173 G C -0.271 174.625 174.900 -0.008 0.000 1.041 173 G CA 0.354 45.451 45.100 -0.005 0.000 0.807 173 G HN 0.263 nan 8.290 nan 0.000 0.502 174 K N 0.480 120.873 120.400 -0.012 0.000 2.164 174 K HA 0.523 4.839 4.320 -0.007 0.000 0.258 174 K C -2.549 174.113 176.600 0.104 0.000 0.951 174 K CA -2.287 53.997 56.287 -0.005 0.000 0.844 174 K CB 2.005 34.404 32.500 -0.169 0.000 1.099 174 K HN -0.047 nan 8.250 nan 0.000 0.435 175 P HA 0.018 nan 4.420 nan 0.000 0.268 175 P C -1.402 176.024 177.300 0.210 0.000 1.205 175 P CA -0.138 63.032 63.100 0.117 0.000 0.771 175 P CB 0.825 32.570 31.700 0.074 0.000 0.858 176 A N 3.732 126.637 122.820 0.141 0.000 2.374 176 A HA 0.730 5.045 4.320 -0.007 0.000 0.305 176 A C -0.651 176.951 177.584 0.031 0.000 1.053 176 A CA -0.603 51.491 52.037 0.094 0.000 0.726 176 A CB 1.301 20.297 19.000 -0.007 0.000 1.229 176 A HN 0.333 nan 8.150 nan 0.000 0.431 177 R N 2.580 123.100 120.500 0.033 0.000 2.500 177 R HA 0.445 4.780 4.340 -0.007 0.000 0.299 177 R C -1.486 174.814 176.300 -0.000 0.000 1.038 177 R CA -0.249 55.851 56.100 0.000 0.000 0.903 177 R CB 1.076 31.377 30.300 0.002 0.000 1.177 177 R HN 0.708 nan 8.270 nan 0.000 0.455 178 I N 3.781 124.326 120.570 -0.041 0.000 2.362 178 I HA 0.232 4.397 4.170 -0.007 0.000 0.289 178 I C 0.012 176.096 176.117 -0.054 0.000 0.994 178 I CA -1.266 60.008 61.300 -0.044 0.000 1.158 178 I CB 1.796 39.723 38.000 -0.122 0.000 1.315 178 I HN 0.224 nan 8.210 nan 0.000 0.451 179 L N 9.004 130.207 121.223 -0.033 0.000 2.315 179 L HA 0.297 4.632 4.340 -0.007 0.000 0.283 179 L C -0.450 176.404 176.870 -0.026 0.000 1.089 179 L CA 0.163 54.981 54.840 -0.037 0.000 0.833 179 L CB 0.797 42.842 42.059 -0.023 0.000 1.170 179 L HN 0.303 nan 8.230 nan 0.000 0.442 180 V N 6.909 126.800 119.914 -0.040 0.000 2.347 180 V HA 0.476 4.592 4.120 -0.007 0.000 0.280 180 V C -0.327 175.858 176.094 0.153 0.000 1.021 180 V CA -0.575 61.743 62.300 0.029 0.000 0.847 180 V CB 1.218 33.027 31.823 -0.023 0.000 0.990 180 V HN 0.661 nan 8.190 nan 0.000 0.444 181 L N 4.810 126.150 121.223 0.195 0.000 2.408 181 L HA 0.968 5.303 4.340 -0.007 0.000 0.268 181 L C -0.239 176.772 176.870 0.234 0.000 0.986 181 L CA -0.399 54.573 54.840 0.221 0.000 0.820 181 L CB 1.893 44.044 42.059 0.153 0.000 1.303 181 L HN 0.720 nan 8.230 nan 0.000 0.411 182 A N 4.762 127.700 122.820 0.197 0.000 2.356 182 A HA 0.800 5.116 4.320 -0.007 0.000 0.310 182 A C -1.918 175.701 177.584 0.058 0.000 1.075 182 A CA -0.453 51.637 52.037 0.089 0.000 0.746 182 A CB 1.379 20.314 19.000 -0.108 0.000 1.221 182 A HN 0.811 nan 8.150 nan 0.000 0.443 183 L N 1.837 123.078 121.223 0.031 0.000 2.438 183 L HA 0.745 5.081 4.340 -0.007 0.000 0.270 183 L C -1.213 175.599 176.870 -0.096 0.000 0.972 183 L CA -0.024 54.739 54.840 -0.128 0.000 0.831 183 L CB 1.882 43.732 42.059 -0.348 0.000 1.273 183 L HN 0.643 nan 8.230 nan 0.000 0.405 184 E N 4.684 124.833 120.200 -0.084 0.000 2.256 184 E HA 0.530 4.876 4.350 -0.007 0.000 0.268 184 E C -1.391 175.211 176.600 0.003 0.000 0.877 184 E CA -0.563 55.840 56.400 0.005 0.000 0.757 184 E CB 2.774 32.465 29.700 -0.014 0.000 1.183 184 E HN 0.388 nan 8.360 nan 0.000 0.418 185 V N 2.596 122.574 119.914 0.106 0.000 2.340 185 V HA 0.103 4.218 4.120 -0.007 0.000 0.277 185 V C 0.967 177.146 176.094 0.141 0.000 1.017 185 V CA -0.222 62.130 62.300 0.088 0.000 0.820 185 V CB 0.930 32.783 31.823 0.050 0.000 1.028 185 V HN 0.777 nan 8.190 nan 0.000 0.436 186 S N 1.547 117.312 115.700 0.109 0.000 2.497 186 S HA -0.089 4.377 4.470 -0.007 0.000 0.218 186 S C 1.917 176.595 174.600 0.130 0.000 1.023 186 S CA 0.709 58.978 58.200 0.115 0.000 0.913 186 S CB 0.035 63.268 63.200 0.056 0.000 0.800 186 S HN 0.769 nan 8.310 nan 0.000 0.505 187 T N 1.174 115.795 114.554 0.112 0.000 2.962 187 T HA -0.120 4.226 4.350 -0.007 0.000 0.270 187 T C 1.919 176.660 174.700 0.068 0.000 1.088 187 T CA 1.726 63.883 62.100 0.096 0.000 1.127 187 T CB -1.464 67.451 68.868 0.078 0.000 0.883 187 T HN 0.614 nan 8.240 nan 0.000 0.493 188 T N -0.169 114.419 114.554 0.057 0.000 3.051 188 T HA 0.152 4.497 4.350 -0.007 0.000 0.269 188 T C 1.576 176.316 174.700 0.066 0.000 1.127 188 T CA 0.429 62.549 62.100 0.034 0.000 1.107 188 T CB -0.655 68.230 68.868 0.028 0.000 0.898 188 T HN 0.414 nan 8.240 nan 0.000 0.517 189 M N 0.857 120.519 119.600 0.103 0.000 2.530 189 M HA 0.290 4.765 4.480 -0.007 0.000 0.231 189 M C 2.015 178.372 176.300 0.095 0.000 1.180 189 M CA -0.137 55.229 55.300 0.109 0.000 0.985 189 M CB 0.161 32.862 32.600 0.169 0.000 1.623 189 M HN 0.158 nan 8.290 nan 0.000 0.475 190 V N 0.937 120.902 119.914 0.085 0.000 2.343 190 V HA -0.248 3.867 4.120 -0.007 0.000 0.247 190 V C 2.414 178.555 176.094 0.078 0.000 1.051 190 V CA 2.002 64.354 62.300 0.086 0.000 1.036 190 V CB -0.272 31.602 31.823 0.085 0.000 0.654 190 V HN 0.482 nan 8.190 nan 0.000 0.451 191 R N -0.085 120.447 120.500 0.053 0.000 2.092 191 R HA -0.072 4.264 4.340 -0.007 0.000 0.231 191 R C 2.639 178.971 176.300 0.054 0.000 1.119 191 R CA 1.538 57.663 56.100 0.042 0.000 0.970 191 R CB -1.283 28.987 30.300 -0.050 0.000 0.864 191 R HN 0.626 nan 8.270 nan 0.000 0.440 192 S N 1.030 116.750 115.700 0.034 0.000 2.359 192 S HA -0.166 4.299 4.470 -0.007 0.000 0.223 192 S C 1.736 176.356 174.600 0.033 0.000 1.039 192 S CA 1.303 59.518 58.200 0.025 0.000 1.042 192 S CB 0.030 63.240 63.200 0.017 0.000 0.915 192 S HN 0.228 nan 8.310 nan 0.000 0.439 193 E N 0.935 121.167 120.200 0.053 0.000 2.077 193 E HA -0.054 4.292 4.350 -0.007 0.000 0.193 193 E C 2.213 178.818 176.600 0.008 0.000 0.989 193 E CA 0.901 57.331 56.400 0.050 0.000 0.800 193 E CB -0.527 29.223 29.700 0.084 0.000 0.746 193 E HN 0.546 nan 8.360 nan 0.000 0.452 194 L N 0.725 121.954 121.223 0.009 0.000 2.046 194 L HA -0.203 4.133 4.340 -0.007 0.000 0.208 194 L C 2.664 179.361 176.870 -0.288 0.000 1.077 194 L CA 1.430 56.217 54.840 -0.089 0.000 0.747 194 L CB -0.377 41.723 42.059 0.069 0.000 0.896 194 L HN 0.162 nan 8.230 nan 0.000 0.432 195 E N -0.145 120.007 120.200 -0.081 0.000 2.085 195 E HA -0.214 4.132 4.350 -0.007 0.000 0.194 195 E C 2.214 178.776 176.600 -0.063 0.000 0.994 195 E CA 1.634 58.020 56.400 -0.022 0.000 0.801 195 E CB 0.096 29.849 29.700 0.089 0.000 0.743 195 E HN 0.347 nan 8.360 nan 0.000 0.453 196 S N 0.356 116.032 115.700 -0.039 0.000 2.356 196 S HA -0.135 4.330 4.470 -0.007 0.000 0.223 196 S C 1.944 176.520 174.600 -0.041 0.000 1.032 196 S CA 1.170 59.355 58.200 -0.025 0.000 1.005 196 S CB -0.263 62.937 63.200 -0.001 0.000 0.867 196 S HN 0.283 nan 8.310 nan 0.000 0.449 197 I N 1.565 122.097 120.570 -0.064 0.000 2.118 197 I HA -0.276 3.890 4.170 -0.007 0.000 0.241 197 I C 2.421 178.487 176.117 -0.085 0.000 1.070 197 I CA 1.858 63.118 61.300 -0.065 0.000 1.327 197 I CB -0.439 37.518 38.000 -0.073 0.000 1.034 197 I HN 0.291 nan 8.210 nan 0.000 0.405 198 D N 0.574 120.874 120.400 -0.167 0.000 2.097 198 D HA -0.174 4.461 4.640 -0.007 0.000 0.195 198 D C 2.123 178.398 176.300 -0.042 0.000 0.989 198 D CA 1.576 55.497 54.000 -0.133 0.000 0.827 198 D CB 0.032 40.674 40.800 -0.262 0.000 0.966 198 D HN 0.317 nan 8.370 nan 0.000 0.456 199 A N -0.162 122.639 122.820 -0.031 0.000 1.898 199 A HA 0.002 4.318 4.320 -0.007 0.000 0.216 199 A C 2.265 179.849 177.584 -0.000 0.000 1.181 199 A CA 0.948 52.986 52.037 0.002 0.000 0.620 199 A CB -0.576 18.430 19.000 0.010 0.000 0.819 199 A HN 0.377 nan 8.150 nan 0.000 0.442 200 L N -1.661 119.558 121.223 -0.007 0.000 2.529 200 L HA 0.035 4.370 4.340 -0.007 0.000 0.223 200 L C 0.285 177.156 176.870 0.001 0.000 1.113 200 L CA -0.011 54.828 54.840 -0.000 0.000 0.861 200 L CB -0.129 41.932 42.059 0.002 0.000 1.012 200 L HN 0.318 nan 8.230 nan 0.000 0.461 201 Q N 1.403 121.200 119.800 -0.005 0.000 2.451 201 Q HA -0.205 4.131 4.340 -0.007 0.000 0.305 201 Q C -0.002 176.000 176.000 0.003 0.000 1.345 201 Q CA 1.131 56.933 55.803 -0.002 0.000 0.854 201 Q CB -1.666 27.074 28.738 0.004 0.000 1.162 201 Q HN 0.794 nan 8.270 nan 0.000 0.440 202 E N -1.777 118.425 120.200 0.003 0.000 2.227 202 E HA 0.580 4.926 4.350 -0.007 0.000 0.268 202 E C -0.213 176.393 176.600 0.010 0.000 0.907 202 E CA -0.663 55.743 56.400 0.011 0.000 0.786 202 E CB 1.181 30.892 29.700 0.017 0.000 1.191 202 E HN 0.123 nan 8.360 nan 0.000 0.411 203 T N 1.330 115.894 114.554 0.016 0.000 2.776 203 T HA 0.321 4.666 4.350 -0.007 0.000 0.292 203 T C -0.142 174.572 174.700 0.023 0.000 0.921 203 T CA -0.803 61.306 62.100 0.015 0.000 1.038 203 T CB -0.041 68.837 68.868 0.016 0.000 0.910 203 T HN 0.426 nan 8.240 nan 0.000 0.536 204 R N 3.631 124.145 120.500 0.025 0.000 2.288 204 R HA 0.407 4.742 4.340 -0.007 0.000 0.326 204 R C 1.183 177.512 176.300 0.048 0.000 0.959 204 R CA -0.615 55.512 56.100 0.045 0.000 0.834 204 R CB 1.060 31.390 30.300 0.051 0.000 1.157 204 R HN 0.857 nan 8.270 nan 0.000 0.470 205 I N -0.536 120.066 120.570 0.054 0.000 3.793 205 I HA 0.223 4.389 4.170 -0.007 0.000 0.315 205 I C 1.524 177.687 176.117 0.078 0.000 1.275 205 I CA 0.183 61.504 61.300 0.034 0.000 1.214 205 I CB 0.304 38.302 38.000 -0.003 0.000 1.018 205 I HN 0.612 nan 8.210 nan 0.000 0.439 206 G N 3.724 112.623 108.800 0.165 0.000 2.556 206 G HA2 -0.324 3.631 3.960 -0.007 0.000 0.220 206 G HA3 -0.324 3.631 3.960 -0.007 0.000 0.220 206 G C 1.590 176.664 174.900 0.290 0.000 1.156 206 G CA 1.710 47.008 45.100 0.330 0.000 0.766 206 G HN 0.744 nan 8.290 nan 0.000 0.583 207 I N -1.306 119.366 120.570 0.171 0.000 2.700 207 I HA 0.194 4.359 4.170 -0.007 0.000 0.261 207 I C 2.483 178.643 176.117 0.070 0.000 1.219 207 I CA 1.248 62.625 61.300 0.129 0.000 1.463 207 I CB -0.198 37.857 38.000 0.092 0.000 1.092 207 I HN 0.145 nan 8.210 nan 0.000 0.452 208 A N 1.035 123.872 122.820 0.028 0.000 2.178 208 A HA 0.330 4.646 4.320 -0.007 0.000 0.211 208 A C 2.119 179.653 177.584 -0.084 0.000 1.157 208 A CA 0.500 52.515 52.037 -0.037 0.000 0.780 208 A CB -0.140 18.818 19.000 -0.070 0.000 0.828 208 A HN 0.524 nan 8.150 nan 0.000 0.476 209 L N -2.731 118.433 121.223 -0.098 0.000 2.600 209 L HA 0.352 4.688 4.340 -0.007 0.000 0.213 209 L C -0.101 176.598 176.870 -0.285 0.000 1.045 209 L CA -0.169 54.510 54.840 -0.268 0.000 0.863 209 L CB -0.013 41.759 42.059 -0.478 0.000 1.189 209 L HN 0.202 nan 8.230 nan 0.000 0.484 210 F N 1.088 121.043 119.950 0.008 0.000 2.384 210 F HA 0.360 4.883 4.527 -0.006 0.000 0.338 210 F C 0.839 176.657 175.800 0.030 0.000 1.103 210 F CA -0.401 57.610 58.000 0.017 0.000 1.157 210 F CB 1.368 40.369 39.000 0.001 0.000 1.167 210 F HN -0.047 nan 8.300 nan 0.000 0.529 211 S N 0.430 116.283 115.700 0.255 0.000 2.806 211 S HA 0.664 5.129 4.470 -0.007 0.000 0.306 211 S C -1.737 172.974 174.600 0.186 0.000 1.167 211 S CA -1.138 57.174 58.200 0.186 0.000 0.847 211 S CB 2.126 65.419 63.200 0.156 0.000 1.216 211 S HN 0.371 nan 8.310 nan 0.000 0.532 212 D N 0.090 120.593 120.400 0.171 0.000 2.256 212 D HA 0.718 5.354 4.640 -0.007 0.000 0.246 212 D C -0.834 175.542 176.300 0.126 0.000 1.042 212 D CA -0.115 53.955 54.000 0.117 0.000 0.841 212 D CB 1.511 42.361 40.800 0.083 0.000 1.223 212 D HN 0.767 nan 8.370 nan 0.000 0.470 213 C N 1.279 120.571 119.300 -0.014 0.000 3.302 213 C HA 0.752 5.208 4.460 -0.007 0.000 0.347 213 C C -1.614 173.256 174.990 -0.200 0.000 1.218 213 C CA -0.342 58.562 59.018 -0.190 0.000 1.234 213 C CB 0.796 28.306 27.740 -0.382 0.000 1.551 213 C HN 0.744 nan 8.230 nan 0.000 0.501 214 A N 2.908 125.587 122.820 -0.236 0.000 2.365 214 A HA 0.988 5.304 4.320 -0.007 0.000 0.318 214 A C -0.365 177.133 177.584 -0.143 0.000 1.091 214 A CA 0.256 52.202 52.037 -0.151 0.000 0.763 214 A CB 1.469 20.404 19.000 -0.109 0.000 1.248 214 A HN 2.116 nan 8.150 nan 0.000 0.442 215 S N 0.061 115.743 115.700 -0.031 0.000 2.556 215 S HA 0.923 5.388 4.470 -0.007 0.000 0.271 215 S C -0.653 174.087 174.600 0.234 0.000 1.135 215 S CA -0.110 58.128 58.200 0.062 0.000 0.858 215 S CB 1.637 64.883 63.200 0.077 0.000 1.114 215 S HN 2.378 nan 8.310 nan 0.000 0.468 216 A N 0.725 123.650 122.820 0.176 0.000 2.594 216 A HA 0.908 5.223 4.320 -0.007 0.000 0.295 216 A C -0.590 176.879 177.584 -0.191 0.000 1.071 216 A CA -0.411 51.670 52.037 0.074 0.000 0.685 216 A CB 1.342 20.363 19.000 0.036 0.000 1.285 216 A HN 2.214 nan 8.150 nan 0.000 0.405 217 V N -0.848 118.822 119.914 -0.407 0.000 3.040 217 V HA 0.816 4.931 4.120 -0.007 0.000 0.312 217 V C -1.049 174.897 176.094 -0.246 0.000 1.115 217 V CA -1.012 61.042 62.300 -0.409 0.000 0.998 217 V CB 1.875 33.284 31.823 -0.690 0.000 1.042 217 V HN 0.713 nan 8.190 nan 0.000 0.433 218 I N 3.327 123.795 120.570 -0.171 0.000 2.336 218 I HA 0.504 4.670 4.170 -0.007 0.000 0.292 218 I C -0.494 175.551 176.117 -0.119 0.000 0.991 218 I CA -0.404 60.825 61.300 -0.118 0.000 1.227 218 I CB 1.284 39.239 38.000 -0.075 0.000 1.366 218 I HN 0.648 nan 8.210 nan 0.000 0.466 219 L N 6.141 127.294 121.223 -0.116 0.000 2.287 219 L HA 0.459 4.795 4.340 -0.007 0.000 0.287 219 L C 0.053 176.875 176.870 -0.079 0.000 1.022 219 L CA 0.239 55.016 54.840 -0.104 0.000 0.814 219 L CB 1.520 43.499 42.059 -0.133 0.000 1.217 219 L HN 0.639 nan 8.230 nan 0.000 0.420 220 S N 2.692 118.360 115.700 -0.053 0.000 2.549 220 S HA 0.390 4.856 4.470 -0.007 0.000 0.297 220 S C 0.650 175.238 174.600 -0.020 0.000 1.115 220 S CA -0.651 57.530 58.200 -0.032 0.000 1.059 220 S CB 0.850 64.038 63.200 -0.019 0.000 1.046 220 S HN 0.780 nan 8.310 nan 0.000 0.506 221 N N 2.828 121.524 118.700 -0.007 0.000 2.322 221 N HA 0.165 4.900 4.740 -0.007 0.000 0.194 221 N C 1.218 176.741 175.510 0.021 0.000 1.126 221 N CA 0.830 53.887 53.050 0.011 0.000 0.845 221 N CB -0.271 38.231 38.487 0.025 0.000 0.976 221 N HN 1.048 nan 8.380 nan 0.000 0.475 222 G N 0.464 109.273 108.800 0.015 0.000 2.284 222 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.261 222 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.261 222 G C 0.046 174.956 174.900 0.017 0.000 0.997 222 G CA 0.383 45.492 45.100 0.014 0.000 0.621 222 G HN 0.431 nan 8.290 nan 0.000 0.534 223 I N 1.673 122.258 120.570 0.026 0.000 2.556 223 I HA 0.380 4.546 4.170 -0.007 0.000 0.284 223 I C 1.728 177.859 176.117 0.024 0.000 1.114 223 I CA 1.222 62.538 61.300 0.027 0.000 1.418 223 I CB 0.699 38.721 38.000 0.037 0.000 1.394 223 I HN 0.868 nan 8.210 nan 0.000 0.552 224 G N 4.191 113.001 108.800 0.017 0.000 2.225 224 G HA2 -0.219 3.737 3.960 -0.007 0.000 0.267 224 G HA3 -0.219 3.737 3.960 -0.007 0.000 0.267 224 G C 0.242 175.148 174.900 0.010 0.000 1.024 224 G CA -0.231 44.877 45.100 0.013 0.000 0.784 224 G HN 0.640 nan 8.290 nan 0.000 0.507 225 E N -0.225 119.979 120.200 0.007 0.000 2.392 225 E HA 0.497 4.843 4.350 -0.007 0.000 0.259 225 E C 0.985 177.584 176.600 -0.001 0.000 1.108 225 E CA 0.281 56.683 56.400 0.002 0.000 0.916 225 E CB 0.829 30.529 29.700 0.000 0.000 0.989 225 E HN 0.743 nan 8.360 nan 0.000 0.432 226 A N 4.478 127.296 122.820 -0.004 0.000 2.535 226 A HA 0.200 4.516 4.320 -0.007 0.000 0.290 226 A C -2.066 175.514 177.584 -0.007 0.000 1.270 226 A CA -0.918 51.115 52.037 -0.006 0.000 0.937 226 A CB -0.790 18.204 19.000 -0.009 0.000 1.096 226 A HN 0.204 nan 8.150 nan 0.000 0.534 227 P HA 0.244 nan 4.420 nan 0.000 0.270 227 P C 1.129 178.424 177.300 -0.008 0.000 1.227 227 P CA 1.306 64.403 63.100 -0.005 0.000 0.788 227 P CB 0.462 32.160 31.700 -0.004 0.000 0.926 228 G N -0.352 108.443 108.800 -0.008 0.000 2.168 228 G HA2 -0.305 3.651 3.960 -0.007 0.000 0.257 228 G HA3 -0.305 3.651 3.960 -0.007 0.000 0.257 228 G C 0.231 175.122 174.900 -0.014 0.000 0.997 228 G CA 0.180 45.273 45.100 -0.011 0.000 0.708 228 G HN 0.674 nan 8.290 nan 0.000 0.520 229 K N 1.873 122.265 120.400 -0.013 0.000 2.404 229 K HA 0.195 4.511 4.320 -0.007 0.000 0.271 229 K C -0.911 175.676 176.600 -0.023 0.000 1.130 229 K CA -0.708 55.570 56.287 -0.016 0.000 1.181 229 K CB 0.239 32.732 32.500 -0.012 0.000 0.840 229 K HN 0.327 nan 8.250 nan 0.000 0.483 230 P HA 0.196 nan 4.420 nan 0.000 0.269 230 P C -1.162 176.112 177.300 -0.042 0.000 1.209 230 P CA -0.381 62.696 63.100 -0.038 0.000 0.776 230 P CB 1.373 33.050 31.700 -0.038 0.000 0.876 231 A N 1.459 124.245 122.820 -0.056 0.000 2.602 231 A HA 0.575 4.891 4.320 -0.007 0.000 0.290 231 A C 0.370 177.891 177.584 -0.106 0.000 1.114 231 A CA -0.557 51.443 52.037 -0.061 0.000 0.683 231 A CB 0.584 19.560 19.000 -0.040 0.000 1.281 231 A HN 0.309 nan 8.150 nan 0.000 0.416 232 I N -1.023 119.469 120.570 -0.130 0.000 3.039 232 I HA 0.208 4.374 4.170 -0.007 0.000 0.270 232 I C -0.427 175.408 176.117 -0.470 0.000 1.150 232 I CA 0.849 61.971 61.300 -0.296 0.000 1.448 232 I CB -0.005 37.823 38.000 -0.286 0.000 1.197 232 I HN 0.541 nan 8.210 nan 0.000 0.450 233 Y N 0.255 120.520 120.300 -0.058 0.000 2.477 233 Y HA 0.437 4.983 4.550 -0.007 0.000 0.347 233 Y C -0.671 175.198 175.900 -0.051 0.000 0.981 233 Y CA -1.541 56.523 58.100 -0.059 0.000 1.033 233 Y CB 1.185 39.617 38.460 -0.047 0.000 1.245 233 Y HN -0.134 nan 8.280 nan 0.000 0.455 234 D N 2.442 122.909 120.400 0.112 0.000 2.177 234 D HA 0.227 4.863 4.640 -0.007 0.000 0.247 234 D C -0.990 175.367 176.300 0.096 0.000 1.063 234 D CA -0.435 53.609 54.000 0.073 0.000 0.867 234 D CB 2.424 43.245 40.800 0.035 0.000 1.168 234 D HN 0.318 nan 8.370 nan 0.000 0.445 235 L N 3.559 124.840 121.223 0.095 0.000 2.268 235 L HA 0.175 4.511 4.340 -0.007 0.000 0.289 235 L C 0.469 177.438 176.870 0.166 0.000 1.064 235 L CA 0.071 54.989 54.840 0.129 0.000 0.824 235 L CB 0.357 42.490 42.059 0.125 0.000 1.202 235 L HN 0.412 nan 8.230 nan 0.000 0.433 236 L N 4.318 125.619 121.223 0.129 0.000 2.298 236 L HA 0.477 4.812 4.340 -0.007 0.000 0.209 236 L C 1.034 177.882 176.870 -0.037 0.000 1.084 236 L CA 0.476 55.353 54.840 0.063 0.000 0.816 236 L CB -0.215 41.883 42.059 0.064 0.000 0.967 236 L HN 0.774 nan 8.230 nan 0.000 0.460 237 G N -1.076 107.726 108.800 0.003 0.000 2.506 237 G HA2 0.420 4.376 3.960 -0.007 0.000 0.292 237 G HA3 0.420 4.376 3.960 -0.007 0.000 0.292 237 G C -2.613 172.307 174.900 0.034 0.000 1.425 237 G CA -0.461 44.483 45.100 -0.260 0.000 0.788 237 G HN 0.103 nan 8.290 nan 0.000 0.490 238 W N -0.655 120.596 121.300 -0.082 0.000 3.248 238 W HA 0.835 5.491 4.660 -0.007 0.000 0.311 238 W C -1.146 175.323 176.519 -0.083 0.000 1.258 238 W CA -1.087 56.205 57.345 -0.087 0.000 1.191 238 W CB 1.356 30.773 29.460 -0.072 0.000 1.389 238 W HN 0.492 nan 8.180 nan 0.000 0.561 239 E N 2.574 122.855 120.200 0.135 0.000 2.293 239 E HA 0.341 4.687 4.350 -0.007 0.000 0.270 239 E C -1.072 175.576 176.600 0.079 0.000 0.879 239 E CA -0.872 55.566 56.400 0.064 0.000 0.756 239 E CB 2.373 32.064 29.700 -0.016 0.000 1.208 239 E HN 0.561 nan 8.360 nan 0.000 0.428 240 N N 1.615 120.359 118.700 0.074 0.000 2.235 240 N HA 0.590 5.326 4.740 -0.007 0.000 0.293 240 N C -0.828 174.697 175.510 0.026 0.000 1.083 240 N CA -0.690 52.381 53.050 0.034 0.000 0.801 240 N CB 3.023 41.535 38.487 0.041 0.000 1.559 240 N HN 0.367 nan 8.380 nan 0.000 0.472 241 R N 0.770 121.278 120.500 0.013 0.000 2.680 241 R HA 0.522 4.857 4.340 -0.007 0.000 0.269 241 R C -1.785 174.533 176.300 0.029 0.000 1.026 241 R CA -0.696 55.419 56.100 0.025 0.000 0.889 241 R CB 2.059 32.379 30.300 0.033 0.000 1.241 241 R HN 0.400 nan 8.270 nan 0.000 0.463 242 V N 4.561 124.496 119.914 0.034 0.000 2.459 242 V HA 0.433 4.549 4.120 -0.007 0.000 0.295 242 V C 0.173 176.296 176.094 0.047 0.000 1.029 242 V CA -0.731 61.593 62.300 0.040 0.000 0.874 242 V CB 1.695 33.538 31.823 0.033 0.000 0.985 242 V HN 0.615 nan 8.190 nan 0.000 0.438 243 I N 7.221 127.825 120.570 0.056 0.000 2.379 243 I HA 0.234 4.400 4.170 -0.007 0.000 0.290 243 I C -2.097 174.046 176.117 0.043 0.000 1.063 243 I CA -1.517 59.814 61.300 0.053 0.000 1.351 243 I CB 0.950 38.985 38.000 0.058 0.000 1.410 243 I HN 0.415 nan 8.210 nan 0.000 0.505 244 P HA 0.030 nan 4.420 nan 0.000 0.269 244 P C -0.444 176.890 177.300 0.055 0.000 1.209 244 P CA 0.101 63.228 63.100 0.045 0.000 0.776 244 P CB 0.332 32.057 31.700 0.042 0.000 0.876 245 D N 0.024 120.467 120.400 0.071 0.000 2.772 245 D HA -0.129 4.506 4.640 -0.007 0.000 0.233 245 D C 0.087 176.470 176.300 0.138 0.000 1.143 245 D CA 1.573 55.644 54.000 0.118 0.000 0.700 245 D CB -1.807 39.059 40.800 0.108 0.000 1.076 245 D HN 0.512 nan 8.370 nan 0.000 0.430 246 S N -2.431 113.294 115.700 0.041 0.000 2.819 246 S HA 0.246 4.712 4.470 -0.007 0.000 0.249 246 S C 1.302 175.809 174.600 -0.156 0.000 1.030 246 S CA -0.478 57.651 58.200 -0.119 0.000 1.052 246 S CB 0.752 63.910 63.200 -0.070 0.000 1.017 246 S HN 0.050 nan 8.310 nan 0.000 0.576 247 E N 2.620 122.818 120.200 -0.004 0.000 2.085 247 E HA -0.199 4.146 4.350 -0.007 0.000 0.194 247 E C 1.870 178.479 176.600 0.015 0.000 0.994 247 E CA 1.841 58.262 56.400 0.036 0.000 0.801 247 E CB -0.442 29.319 29.700 0.102 0.000 0.743 247 E HN 0.884 nan 8.360 nan 0.000 0.453 248 H N -0.341 118.751 119.070 0.037 0.000 2.555 248 H HA 0.083 4.635 4.556 -0.008 0.000 0.269 248 H C 0.480 175.831 175.328 0.040 0.000 0.988 248 H CA 0.911 56.982 56.048 0.038 0.000 1.178 248 H CB 0.139 29.919 29.762 0.031 0.000 1.373 248 H HN 0.159 nan 8.280 nan 0.000 0.588 249 D N 0.598 120.730 120.400 -0.447 0.000 2.305 249 D HA 0.077 4.713 4.640 -0.007 0.000 0.206 249 D C 0.077 176.325 176.300 -0.086 0.000 0.974 249 D CA 0.259 54.095 54.000 -0.273 0.000 0.871 249 D CB 0.765 41.372 40.800 -0.323 0.000 0.947 249 D HN 0.240 nan 8.370 nan 0.000 0.516 250 L N -0.274 120.920 121.223 -0.048 0.000 2.588 250 L HA 0.561 4.897 4.340 -0.007 0.000 0.263 250 L C -0.726 176.168 176.870 0.039 0.000 0.935 250 L CA -0.155 54.691 54.840 0.010 0.000 0.891 250 L CB 1.984 44.047 42.059 0.006 0.000 1.318 250 L HN 0.001 nan 8.230 nan 0.000 0.409 251 G N 2.883 111.731 108.800 0.079 0.000 2.495 251 G HA2 0.549 4.505 3.960 -0.007 0.000 0.294 251 G HA3 0.549 4.505 3.960 -0.007 0.000 0.294 251 G C -2.151 172.892 174.900 0.239 0.000 1.397 251 G CA -0.504 44.670 45.100 0.124 0.000 0.790 251 G HN 0.511 nan 8.290 nan 0.000 0.486 252 F N 1.411 121.374 119.950 0.021 0.000 3.287 252 F HA 0.302 4.826 4.527 -0.005 0.000 0.379 252 F C -1.270 174.639 175.800 0.183 0.000 1.268 252 F CA -0.893 57.135 58.000 0.047 0.000 1.220 252 F CB 1.457 40.407 39.000 -0.083 0.000 1.687 252 F HN 0.265 nan 8.300 nan 0.000 0.648 253 D N 4.254 124.720 120.400 0.110 0.000 2.249 253 D HA 0.183 4.819 4.640 -0.007 0.000 0.246 253 D C -0.169 176.089 176.300 -0.070 0.000 1.114 253 D CA 0.090 54.128 54.000 0.064 0.000 0.854 253 D CB 2.804 43.620 40.800 0.026 0.000 1.132 253 D HN 0.235 nan 8.370 nan 0.000 0.461 254 V N 2.227 122.085 119.914 -0.093 0.000 2.872 254 V HA 0.061 4.177 4.120 -0.007 0.000 0.307 254 V C -0.085 175.746 176.094 -0.438 0.000 1.072 254 V CA 0.765 62.732 62.300 -0.556 0.000 1.148 254 V CB 1.216 32.824 31.823 -0.359 0.000 0.954 254 V HN 0.655 nan 8.190 nan 0.000 0.490 255 D N 4.227 124.281 120.400 -0.577 0.000 2.654 255 D HA 0.503 5.138 4.640 -0.007 0.000 0.231 255 D C -2.124 173.958 176.300 -0.362 0.000 1.239 255 D CA -0.894 52.889 54.000 -0.361 0.000 0.790 255 D CB 2.281 42.906 40.800 -0.291 0.000 1.480 255 D HN 0.269 nan 8.370 nan 0.000 0.442 256 P HA -0.111 nan 4.420 nan 0.000 0.220 256 P C 0.902 178.084 177.300 -0.196 0.000 1.144 256 P CA 1.139 64.119 63.100 -0.200 0.000 0.800 256 P CB 0.094 31.715 31.700 -0.132 0.000 0.772 257 M N -1.634 117.850 119.600 -0.194 0.000 2.453 257 M HA 0.269 4.745 4.480 -0.007 0.000 0.239 257 M C 1.104 177.296 176.300 -0.180 0.000 1.151 257 M CA 0.376 55.587 55.300 -0.148 0.000 0.989 257 M CB 0.316 32.861 32.600 -0.093 0.000 1.548 257 M HN 0.054 nan 8.290 nan 0.000 0.479 258 G N 0.524 109.108 108.800 -0.360 0.000 2.713 258 G HA2 -0.149 3.806 3.960 -0.007 0.000 0.215 258 G HA3 -0.149 3.806 3.960 -0.007 0.000 0.215 258 G C -1.576 172.826 174.900 -0.830 0.000 1.265 258 G CA -0.823 43.987 45.100 -0.484 0.000 1.204 258 G HN 0.372 nan 8.290 nan 0.000 0.545 259 W N 1.299 122.328 121.300 -0.452 0.000 2.883 259 W HA 0.621 5.278 4.660 -0.005 0.000 0.335 259 W C -0.469 175.670 176.519 -0.632 0.000 1.083 259 W CA -0.804 56.049 57.345 -0.821 0.000 1.233 259 W CB 2.130 30.472 29.460 -1.863 0.000 1.412 259 W HN 0.223 nan 8.180 nan 0.000 0.490 260 K N 2.344 122.629 120.400 -0.192 0.000 2.183 260 K HA 0.366 4.681 4.320 -0.007 0.000 0.274 260 K C -0.219 176.500 176.600 0.199 0.000 1.009 260 K CA -0.816 55.481 56.287 0.017 0.000 0.888 260 K CB 2.240 34.741 32.500 0.002 0.000 1.078 260 K HN 0.168 nan 8.250 nan 0.000 0.459 261 V N 3.242 123.340 119.914 0.306 0.000 2.585 261 V HA 0.051 4.166 4.120 -0.007 0.000 0.296 261 V C 0.308 176.520 176.094 0.196 0.000 1.035 261 V CA -0.384 62.108 62.300 0.320 0.000 1.084 261 V CB 1.049 33.009 31.823 0.228 0.000 0.953 261 V HN 0.357 nan 8.190 nan 0.000 0.483 262 V N 6.668 126.690 119.914 0.179 0.000 2.417 262 V HA 0.596 4.711 4.120 -0.007 0.000 0.291 262 V C -0.470 175.685 176.094 0.101 0.000 1.024 262 V CA -0.524 61.850 62.300 0.123 0.000 0.861 262 V CB 1.534 33.425 31.823 0.113 0.000 0.985 262 V HN 0.657 nan 8.190 nan 0.000 0.436 263 L N 5.608 126.881 121.223 0.084 0.000 2.580 263 L HA 0.640 4.976 4.340 -0.007 0.000 0.266 263 L C -0.060 176.839 176.870 0.047 0.000 0.955 263 L CA 0.128 55.006 54.840 0.064 0.000 0.886 263 L CB 2.120 44.229 42.059 0.084 0.000 1.263 263 L HN 0.736 nan 8.230 nan 0.000 0.406 264 S N 3.941 119.656 115.700 0.025 0.000 2.713 264 S HA 0.738 5.204 4.470 -0.007 0.000 0.283 264 S C -2.000 172.608 174.600 0.014 0.000 1.161 264 S CA -0.984 57.233 58.200 0.028 0.000 0.999 264 S CB 1.170 64.385 63.200 0.025 0.000 1.039 264 S HN 0.596 nan 8.310 nan 0.000 0.548 265 P HA 0.095 nan 4.420 nan 0.000 0.226 265 P C 0.936 178.232 177.300 -0.006 0.000 1.153 265 P CA 0.702 63.808 63.100 0.010 0.000 0.777 265 P CB 0.015 31.726 31.700 0.019 0.000 0.794 266 R N -0.799 119.695 120.500 -0.010 0.000 2.193 266 R HA 0.014 4.350 4.340 -0.007 0.000 0.213 266 R C 1.943 178.210 176.300 -0.055 0.000 1.055 266 R CA 0.477 56.562 56.100 -0.025 0.000 0.995 266 R CB -0.837 29.452 30.300 -0.018 0.000 0.893 266 R HN 0.084 nan 8.270 nan 0.000 0.459 267 V N 1.921 121.798 119.914 -0.062 0.000 2.252 267 V HA -0.199 3.917 4.120 -0.007 0.000 0.249 267 V C -0.809 175.202 176.094 -0.139 0.000 1.056 267 V CA 1.980 64.224 62.300 -0.094 0.000 1.022 267 V CB -1.138 30.642 31.823 -0.072 0.000 0.641 267 V HN 0.225 nan 8.190 nan 0.000 0.445 268 P HA -0.109 nan 4.420 nan 0.000 0.215 268 P C 1.915 179.126 177.300 -0.148 0.000 1.153 268 P CA 1.310 64.323 63.100 -0.145 0.000 0.853 268 P CB -0.077 31.565 31.700 -0.097 0.000 0.788 269 V N -0.646 119.206 119.914 -0.103 0.000 2.323 269 V HA -0.193 3.923 4.120 -0.007 0.000 0.244 269 V C 2.487 178.525 176.094 -0.094 0.000 1.041 269 V CA 1.472 63.721 62.300 -0.085 0.000 1.025 269 V CB -1.218 30.574 31.823 -0.051 0.000 0.656 269 V HN 0.035 nan 8.190 nan 0.000 0.451 270 L N 0.217 121.383 121.223 -0.095 0.000 2.012 270 L HA -0.217 4.119 4.340 -0.007 0.000 0.210 270 L C 2.764 179.553 176.870 -0.135 0.000 1.073 270 L CA 1.806 56.597 54.840 -0.082 0.000 0.748 270 L CB -0.906 41.113 42.059 -0.068 0.000 0.891 270 L HN 0.372 nan 8.230 nan 0.000 0.431 271 A N 0.168 122.805 122.820 -0.305 0.000 1.858 271 A HA -0.276 4.040 4.320 -0.007 0.000 0.216 271 A C 2.414 179.754 177.584 -0.407 0.000 1.190 271 A CA 2.173 53.790 52.037 -0.701 0.000 0.617 271 A CB -0.527 17.834 19.000 -1.066 0.000 0.827 271 A HN 0.368 nan 8.150 nan 0.000 0.443 272 K N -0.351 119.896 120.400 -0.255 0.000 2.026 272 K HA -0.072 4.243 4.320 -0.007 0.000 0.208 272 K C 2.050 178.620 176.600 -0.050 0.000 1.048 272 K CA 1.309 57.516 56.287 -0.134 0.000 0.929 272 K CB -0.353 32.072 32.500 -0.124 0.000 0.713 272 K HN 0.343 nan 8.250 nan 0.000 0.439 273 A N 0.788 123.583 122.820 -0.041 0.000 2.067 273 A HA -0.117 4.198 4.320 -0.007 0.000 0.219 273 A C 2.002 179.614 177.584 0.047 0.000 1.158 273 A CA 1.837 53.873 52.037 -0.001 0.000 0.661 273 A CB -0.552 18.444 19.000 -0.006 0.000 0.801 273 A HN 0.575 nan 8.150 nan 0.000 0.452 274 S N -0.389 115.364 115.700 0.089 0.000 2.461 274 S HA 0.037 4.503 4.470 -0.007 0.000 0.228 274 S C 1.758 176.476 174.600 0.196 0.000 1.005 274 S CA 0.828 59.127 58.200 0.166 0.000 0.942 274 S CB -0.594 62.774 63.200 0.280 0.000 0.776 274 S HN 0.449 nan 8.310 nan 0.000 0.514 275 L N 0.759 122.100 121.223 0.196 0.000 1.989 275 L HA -0.161 4.175 4.340 -0.007 0.000 0.211 275 L C 3.142 180.129 176.870 0.195 0.000 1.071 275 L CA 1.841 56.810 54.840 0.215 0.000 0.749 275 L CB -0.746 41.391 42.059 0.130 0.000 0.890 275 L HN 0.333 nan 8.230 nan 0.000 0.431 276 Q N -0.257 119.616 119.800 0.121 0.000 2.014 276 Q HA -0.183 4.153 4.340 -0.007 0.000 0.207 276 Q C -0.546 175.557 176.000 0.172 0.000 0.993 276 Q CA 2.519 58.397 55.803 0.126 0.000 0.850 276 Q CB -0.974 27.804 28.738 0.067 0.000 0.916 276 Q HN 0.343 nan 8.270 nan 0.000 0.417 277 P HA -0.096 nan 4.420 nan 0.000 0.217 277 P C 0.816 178.179 177.300 0.105 0.000 1.151 277 P CA 1.494 64.657 63.100 0.104 0.000 0.828 277 P CB -0.063 31.683 31.700 0.077 0.000 0.788 278 T N -0.860 113.770 114.554 0.128 0.000 2.737 278 T HA -0.186 4.159 4.350 -0.007 0.000 0.265 278 T C 1.765 176.525 174.700 0.099 0.000 1.038 278 T CA 1.194 63.353 62.100 0.098 0.000 1.144 278 T CB -1.214 67.715 68.868 0.102 0.000 0.866 278 T HN 0.057 nan 8.240 nan 0.000 0.434 279 Y N 2.283 122.615 120.300 0.054 0.000 2.128 279 Y HA -0.110 4.435 4.550 -0.007 0.000 0.284 279 Y C 2.586 178.486 175.900 0.000 0.000 1.154 279 Y CA 1.196 59.317 58.100 0.035 0.000 1.149 279 Y CB -0.749 37.798 38.460 0.145 0.000 0.976 279 Y HN 0.179 nan 8.280 nan 0.000 0.505 280 A N 0.234 123.134 122.820 0.132 0.000 1.883 280 A HA -0.230 4.085 4.320 -0.007 0.000 0.217 280 A C 1.967 179.506 177.584 -0.075 0.000 1.186 280 A CA 2.138 54.190 52.037 0.025 0.000 0.624 280 A CB -0.954 18.107 19.000 0.101 0.000 0.822 280 A HN 0.579 nan 8.150 nan 0.000 0.444 281 D N -0.536 119.836 120.400 -0.047 0.000 2.117 281 D HA -0.129 4.507 4.640 -0.007 0.000 0.197 281 D C 1.870 178.090 176.300 -0.132 0.000 0.987 281 D CA 1.357 55.315 54.000 -0.069 0.000 0.829 281 D CB -0.455 40.324 40.800 -0.036 0.000 0.961 281 D HN 0.347 nan 8.370 nan 0.000 0.460 282 L N 0.326 121.444 121.223 -0.175 0.000 2.012 282 L HA -0.150 4.186 4.340 -0.007 0.000 0.210 282 L C 2.082 178.780 176.870 -0.287 0.000 1.073 282 L CA 1.423 56.120 54.840 -0.237 0.000 0.748 282 L CB -0.539 41.359 42.059 -0.269 0.000 0.891 282 L HN -0.043 nan 8.230 nan 0.000 0.431 283 L N -0.622 120.378 121.223 -0.372 0.000 2.109 283 L HA -0.130 4.206 4.340 -0.007 0.000 0.207 283 L C 2.783 179.541 176.870 -0.187 0.000 1.086 283 L CA 1.714 56.359 54.840 -0.325 0.000 0.760 283 L CB -0.877 40.928 42.059 -0.422 0.000 0.910 283 L HN 0.543 nan 8.230 nan 0.000 0.437 284 S N -1.471 114.139 115.700 -0.151 0.000 2.399 284 S HA -0.189 4.276 4.470 -0.007 0.000 0.231 284 S C 2.043 176.579 174.600 -0.107 0.000 1.022 284 S CA 1.112 59.252 58.200 -0.100 0.000 0.983 284 S CB -0.927 62.230 63.200 -0.072 0.000 0.803 284 S HN 0.519 nan 8.310 nan 0.000 0.480 285 S N 1.472 117.090 115.700 -0.138 0.000 2.603 285 S HA 0.123 4.589 4.470 -0.007 0.000 0.229 285 S C 0.874 175.382 174.600 -0.153 0.000 0.972 285 S CA 0.502 58.611 58.200 -0.152 0.000 0.935 285 S CB -0.640 62.442 63.200 -0.196 0.000 0.769 285 S HN 0.800 nan 8.310 nan 0.000 0.536 286 L N -1.736 119.404 121.223 -0.138 0.000 3.693 286 L HA 0.369 4.705 4.340 -0.007 0.000 0.357 286 L C 1.172 177.986 176.870 -0.093 0.000 1.330 286 L CA -0.446 54.324 54.840 -0.118 0.000 1.046 286 L CB -1.059 40.920 42.059 -0.134 0.000 1.407 286 L HN 0.110 nan 8.230 nan 0.000 0.614 287 Q N -0.543 119.209 119.800 -0.080 0.000 2.226 287 Q HA -0.123 4.213 4.340 -0.007 0.000 0.204 287 Q C 0.455 176.431 176.000 -0.041 0.000 0.975 287 Q CA 1.765 57.534 55.803 -0.056 0.000 0.866 287 Q CB -0.213 28.500 28.738 -0.041 0.000 0.915 287 Q HN 0.502 nan 8.270 nan 0.000 0.440 288 D N 1.030 121.406 120.400 -0.040 0.000 2.347 288 D HA -0.064 4.572 4.640 -0.007 0.000 0.215 288 D C 1.591 177.875 176.300 -0.027 0.000 0.976 288 D CA 0.688 54.671 54.000 -0.028 0.000 0.884 288 D CB 0.160 40.945 40.800 -0.025 0.000 0.915 288 D HN 0.435 nan 8.370 nan 0.000 0.526 289 Q N -0.375 119.402 119.800 -0.040 0.000 2.302 289 Q HA 0.128 4.464 4.340 -0.007 0.000 0.202 289 Q C 0.550 176.520 176.000 -0.050 0.000 0.936 289 Q CA 0.304 56.089 55.803 -0.030 0.000 0.886 289 Q CB 0.727 29.446 28.738 -0.032 0.000 0.986 289 Q HN 0.225 nan 8.270 nan 0.000 0.487 290 L N 2.194 123.359 121.223 -0.096 0.000 2.334 290 L HA 0.340 4.676 4.340 -0.007 0.000 0.277 290 L C -2.131 174.688 176.870 -0.085 0.000 1.075 290 L CA -2.247 52.475 54.840 -0.196 0.000 0.804 290 L CB 0.415 42.355 42.059 -0.198 0.000 1.174 290 L HN -0.091 nan 8.230 nan 0.000 0.438 291 P HA 0.059 nan 4.420 nan 0.000 0.272 291 P C 0.447 177.773 177.300 0.043 0.000 1.230 291 P CA -0.467 62.664 63.100 0.052 0.000 0.788 291 P CB 0.647 32.447 31.700 0.167 0.000 0.949 292 S N -0.669 115.047 115.700 0.025 0.000 2.500 292 S HA -0.136 4.330 4.470 -0.007 0.000 0.239 292 S C 1.502 176.079 174.600 -0.039 0.000 0.989 292 S CA 1.134 59.336 58.200 0.003 0.000 0.951 292 S CB -1.315 61.886 63.200 0.001 0.000 0.759 292 S HN 0.520 nan 8.310 nan 0.000 0.523 293 S N -0.507 115.154 115.700 -0.064 0.000 2.607 293 S HA 0.136 4.602 4.470 -0.007 0.000 0.224 293 S C -0.164 174.082 174.600 -0.591 0.000 0.969 293 S CA -0.303 57.739 58.200 -0.263 0.000 0.927 293 S CB -0.644 62.399 63.200 -0.261 0.000 0.772 293 S HN 0.614 nan 8.310 nan 0.000 0.533 294 Y N 1.326 121.500 120.300 -0.210 0.000 2.705 294 Y HA 0.476 5.021 4.550 -0.007 0.000 0.355 294 Y C 0.932 176.750 175.900 -0.135 0.000 1.039 294 Y CA -0.737 57.097 58.100 -0.442 0.000 1.233 294 Y CB 0.873 38.925 38.460 -0.679 0.000 1.103 294 Y HN 0.159 nan 8.280 nan 0.000 0.624 295 Q N 0.963 120.829 119.800 0.109 0.000 2.527 295 Q HA 0.144 4.479 4.340 -0.007 0.000 0.252 295 Q C 0.134 176.401 176.000 0.445 0.000 0.827 295 Q CA -0.039 55.915 55.803 0.252 0.000 0.979 295 Q CB 1.068 29.879 28.738 0.122 0.000 1.248 295 Q HN 0.453 nan 8.270 nan 0.000 0.578 296 K N 0.347 120.981 120.400 0.389 0.000 2.166 296 K HA 0.391 4.707 4.320 -0.007 0.000 0.245 296 K C -2.475 174.439 176.600 0.523 0.000 0.967 296 K CA -1.870 54.650 56.287 0.388 0.000 0.863 296 K CB 1.798 34.406 32.500 0.180 0.000 1.107 296 K HN -0.339 nan 8.250 nan 0.000 0.436 297 P HA -0.273 nan 4.420 nan 0.000 0.216 297 P C 1.044 178.709 177.300 0.609 0.000 1.154 297 P CA 2.210 65.530 63.100 0.367 0.000 0.865 297 P CB -0.049 31.577 31.700 -0.124 0.000 0.789 298 A N -0.628 122.342 122.820 0.250 0.000 2.121 298 A HA -0.176 4.139 4.320 -0.007 0.000 0.218 298 A C 1.711 179.546 177.584 0.420 0.000 1.154 298 A CA 1.606 53.754 52.037 0.185 0.000 0.679 298 A CB -1.166 17.848 19.000 0.024 0.000 0.795 298 A HN 0.111 nan 8.150 nan 0.000 0.458 299 D N -1.036 119.544 120.400 0.299 0.000 2.312 299 D HA 0.053 4.688 4.640 -0.007 0.000 0.211 299 D C 0.023 176.348 176.300 0.040 0.000 0.964 299 D CA 0.647 54.648 54.000 0.002 0.000 0.877 299 D CB -0.073 40.544 40.800 -0.305 0.000 0.924 299 D HN 0.472 nan 8.370 nan 0.000 0.515 300 F N 0.771 121.010 119.950 0.482 0.000 2.440 300 F HA 0.268 4.791 4.527 -0.007 0.000 0.328 300 F C 0.953 177.036 175.800 0.472 0.000 1.070 300 F CA -1.089 57.175 58.000 0.440 0.000 1.011 300 F CB 0.982 40.096 39.000 0.191 0.000 1.226 300 F HN -0.388 nan 8.300 nan 0.000 0.491 301 D N 0.406 121.109 120.400 0.506 0.000 2.264 301 D HA 0.140 4.775 4.640 -0.007 0.000 0.249 301 D C -1.264 175.247 176.300 0.352 0.000 1.070 301 D CA 0.067 54.323 54.000 0.427 0.000 0.912 301 D CB 0.963 41.932 40.800 0.282 0.000 1.193 301 D HN 0.315 nan 8.370 nan 0.000 0.427 302 W N 0.868 122.323 121.300 0.259 0.000 2.362 302 W HA 0.512 5.168 4.660 -0.008 0.000 0.316 302 W C -0.251 176.351 176.519 0.138 0.000 1.024 302 W CA -0.829 56.632 57.345 0.192 0.000 1.270 302 W CB 1.308 30.877 29.460 0.182 0.000 1.273 302 W HN 0.322 nan 8.180 nan 0.000 0.424 303 A N 5.811 128.768 122.820 0.228 0.000 2.798 303 A HA 0.497 4.812 4.320 -0.007 0.000 0.316 303 A C -0.124 177.567 177.584 0.178 0.000 1.506 303 A CA -0.368 51.768 52.037 0.164 0.000 1.162 303 A CB -0.266 18.771 19.000 0.063 0.000 1.138 303 A HN 0.577 nan 8.150 nan 0.000 0.532 304 M N 2.451 122.179 119.600 0.213 0.000 2.233 304 M HA 0.153 4.628 4.480 -0.007 0.000 0.355 304 M C 0.316 176.690 176.300 0.123 0.000 1.191 304 M CA -0.234 55.181 55.300 0.193 0.000 1.101 304 M CB 0.918 33.622 32.600 0.173 0.000 1.592 304 M HN 0.745 nan 8.290 nan 0.000 0.461 305 H N 6.209 125.313 119.070 0.057 0.000 3.026 305 H HA 0.156 4.708 4.556 -0.007 0.000 0.289 305 H C -2.148 173.178 175.328 -0.002 0.000 1.022 305 H CA -1.044 55.020 56.048 0.028 0.000 1.477 305 H CB 0.698 30.474 29.762 0.023 0.000 1.510 305 H HN 0.242 nan 8.280 nan 0.000 0.535 306 P HA 0.104 nan 4.420 nan 0.000 0.238 306 P C 0.983 177.903 177.300 -0.634 0.000 1.794 306 P CA -0.137 62.625 63.100 -0.562 0.000 1.088 306 P CB 0.163 31.590 31.700 -0.455 0.000 1.923 307 G N 2.052 110.566 108.800 -0.476 0.000 2.422 307 G HA2 0.111 4.067 3.960 -0.007 0.000 0.218 307 G HA3 0.111 4.067 3.960 -0.007 0.000 0.218 307 G C 0.672 175.430 174.900 -0.238 0.000 1.146 307 G CA 0.666 45.624 45.100 -0.236 0.000 0.769 307 G HN 0.665 nan 8.290 nan 0.000 0.547 308 G N -2.988 105.610 108.800 -0.336 0.000 2.559 308 G HA2 0.564 4.520 3.960 -0.007 0.000 0.291 308 G HA3 0.564 4.520 3.960 -0.007 0.000 0.291 308 G C 0.621 175.208 174.900 -0.521 0.000 1.424 308 G CA 0.100 45.023 45.100 -0.294 0.000 0.786 308 G HN 0.564 nan 8.290 nan 0.000 0.485 309 A N -0.512 122.114 122.820 -0.324 0.000 1.917 309 A HA -0.026 4.290 4.320 -0.007 0.000 0.219 309 A C 2.574 180.042 177.584 -0.192 0.000 1.182 309 A CA 3.416 55.300 52.037 -0.257 0.000 0.633 309 A CB -1.242 17.783 19.000 0.042 0.000 0.819 309 A HN 1.675 nan 8.150 nan 0.000 0.448 310 T N -2.024 112.450 114.554 -0.133 0.000 2.962 310 T HA -0.041 4.304 4.350 -0.007 0.000 0.270 310 T C 1.673 176.278 174.700 -0.158 0.000 1.088 310 T CA 1.113 63.147 62.100 -0.110 0.000 1.127 310 T CB -0.360 68.463 68.868 -0.074 0.000 0.883 310 T HN 0.230 nan 8.240 nan 0.000 0.493 311 I N 1.597 122.037 120.570 -0.216 0.000 2.202 311 I HA -0.005 4.161 4.170 -0.007 0.000 0.242 311 I C 2.512 178.502 176.117 -0.212 0.000 1.091 311 I CA 0.909 62.074 61.300 -0.225 0.000 1.368 311 I CB -1.277 36.586 38.000 -0.229 0.000 1.058 311 I HN 0.320 nan 8.210 nan 0.000 0.410 312 L N 0.713 121.764 121.223 -0.286 0.000 2.056 312 L HA -0.187 4.149 4.340 -0.007 0.000 0.207 312 L C 2.747 179.542 176.870 -0.125 0.000 1.078 312 L CA 1.698 56.372 54.840 -0.277 0.000 0.749 312 L CB -0.784 40.923 42.059 -0.586 0.000 0.901 312 L HN 0.301 nan 8.230 nan 0.000 0.433 313 S N -0.157 115.491 115.700 -0.086 0.000 2.402 313 S HA -0.078 4.388 4.470 -0.007 0.000 0.229 313 S C 2.080 176.634 174.600 -0.077 0.000 1.021 313 S CA 0.794 58.974 58.200 -0.035 0.000 0.974 313 S CB -0.924 62.269 63.200 -0.013 0.000 0.800 313 S HN 0.417 nan 8.310 nan 0.000 0.484 314 G N 1.599 110.335 108.800 -0.107 0.000 2.402 314 G HA2 0.089 4.044 3.960 -0.007 0.000 0.216 314 G HA3 0.089 4.044 3.960 -0.007 0.000 0.216 314 G C 1.679 176.496 174.900 -0.139 0.000 1.162 314 G CA 0.738 45.767 45.100 -0.118 0.000 0.777 314 G HN 0.757 nan 8.290 nan 0.000 0.539 315 A N 0.955 123.679 122.820 -0.160 0.000 1.902 315 A HA -0.029 4.287 4.320 -0.007 0.000 0.217 315 A C 2.144 179.560 177.584 -0.280 0.000 1.181 315 A CA 1.993 53.891 52.037 -0.232 0.000 0.623 315 A CB -0.417 18.438 19.000 -0.242 0.000 0.818 315 A HN 0.452 nan 8.150 nan 0.000 0.443 316 E N -0.620 119.463 120.200 -0.196 0.000 2.058 316 E HA -0.166 4.180 4.350 -0.007 0.000 0.194 316 E C 2.340 178.840 176.600 -0.166 0.000 0.997 316 E CA 1.410 57.705 56.400 -0.174 0.000 0.801 316 E CB -0.199 29.457 29.700 -0.074 0.000 0.746 316 E HN 0.597 nan 8.360 nan 0.000 0.450 317 S N 0.095 115.718 115.700 -0.129 0.000 2.338 317 S HA -0.131 4.335 4.470 -0.007 0.000 0.218 317 S C 2.106 176.633 174.600 -0.123 0.000 1.032 317 S CA 1.191 59.327 58.200 -0.107 0.000 0.999 317 S CB -0.220 62.930 63.200 -0.082 0.000 0.905 317 S HN 0.321 nan 8.310 nan 0.000 0.439 318 A N 1.060 123.799 122.820 -0.136 0.000 1.969 318 A HA 0.086 4.402 4.320 -0.007 0.000 0.218 318 A C 1.944 179.430 177.584 -0.164 0.000 1.169 318 A CA 1.416 53.377 52.037 -0.127 0.000 0.635 318 A CB -0.306 18.628 19.000 -0.111 0.000 0.810 318 A HN 0.584 nan 8.150 nan 0.000 0.445 319 M N -1.570 117.881 119.600 -0.248 0.000 2.313 319 M HA 0.219 4.695 4.480 -0.007 0.000 0.273 319 M C 1.099 177.223 176.300 -0.293 0.000 1.049 319 M CA 0.648 55.757 55.300 -0.319 0.000 1.004 319 M CB -0.414 31.866 32.600 -0.533 0.000 1.461 319 M HN 0.691 nan 8.290 nan 0.000 0.514 320 G N 2.541 111.200 108.800 -0.235 0.000 2.314 320 G HA2 -0.221 3.735 3.960 -0.007 0.000 0.292 320 G HA3 -0.221 3.735 3.960 -0.007 0.000 0.292 320 G C -0.304 174.430 174.900 -0.278 0.000 1.059 320 G CA 0.072 45.054 45.100 -0.196 0.000 0.982 320 G HN 0.439 nan 8.290 nan 0.000 0.505 321 L N 0.077 121.090 121.223 -0.350 0.000 2.330 321 L HA 0.774 5.110 4.340 -0.007 0.000 0.271 321 L C 1.160 177.902 176.870 -0.213 0.000 1.013 321 L CA -0.634 53.906 54.840 -0.500 0.000 0.816 321 L CB 1.877 43.582 42.059 -0.590 0.000 1.287 321 L HN 0.371 nan 8.230 nan 0.000 0.435 322 T N -2.618 111.921 114.554 -0.025 0.000 2.899 322 T HA 0.311 4.657 4.350 -0.007 0.000 0.284 322 T C -2.037 172.764 174.700 0.169 0.000 1.004 322 T CA -1.828 60.353 62.100 0.135 0.000 1.043 322 T CB 1.524 70.527 68.868 0.224 0.000 1.013 322 T HN 0.312 nan 8.240 nan 0.000 0.518 323 P HA -0.080 nan 4.420 nan 0.000 0.217 323 P C 1.091 178.477 177.300 0.143 0.000 1.148 323 P CA 1.025 64.177 63.100 0.087 0.000 0.828 323 P CB 0.022 31.563 31.700 -0.265 0.000 0.783 324 E N -2.047 118.214 120.200 0.102 0.000 2.268 324 E HA -0.179 4.166 4.350 -0.007 0.000 0.195 324 E C 1.719 178.396 176.600 0.129 0.000 0.995 324 E CA 0.897 57.350 56.400 0.088 0.000 0.836 324 E CB -0.861 28.853 29.700 0.023 0.000 0.763 324 E HN 0.460 nan 8.360 nan 0.000 0.491 325 H N -0.845 118.313 119.070 0.146 0.000 2.456 325 H HA 0.031 4.583 4.556 -0.007 0.000 0.296 325 H C 0.719 176.214 175.328 0.279 0.000 1.079 325 H CA 1.152 57.330 56.048 0.217 0.000 1.322 325 H CB 0.102 29.970 29.762 0.175 0.000 1.388 325 H HN 0.100 nan 8.280 nan 0.000 0.538 326 M N 0.800 120.620 119.600 0.366 0.000 2.869 326 M HA 0.160 4.636 4.480 -0.007 0.000 0.353 326 M C 1.170 177.675 176.300 0.343 0.000 1.224 326 M CA -0.166 55.333 55.300 0.331 0.000 0.917 326 M CB 0.684 33.430 32.600 0.243 0.000 1.322 326 M HN 0.262 nan 8.290 nan 0.000 0.516 327 R N 0.166 120.835 120.500 0.282 0.000 2.127 327 R HA -0.057 4.279 4.340 -0.007 0.000 0.238 327 R C 1.726 178.169 176.300 0.240 0.000 1.134 327 R CA 1.780 58.028 56.100 0.245 0.000 0.975 327 R CB -0.592 29.798 30.300 0.151 0.000 0.865 327 R HN 0.370 nan 8.270 nan 0.000 0.447 328 A N 1.074 124.020 122.820 0.209 0.000 1.970 328 A HA 0.028 4.343 4.320 -0.007 0.000 0.216 328 A C 2.182 179.873 177.584 0.178 0.000 1.170 328 A CA 1.088 53.235 52.037 0.184 0.000 0.645 328 A CB -0.186 18.916 19.000 0.170 0.000 0.816 328 A HN 0.377 nan 8.150 nan 0.000 0.447 329 S N -1.065 114.730 115.700 0.158 0.000 2.356 329 S HA -0.155 4.311 4.470 -0.007 0.000 0.223 329 S C 1.794 176.426 174.600 0.053 0.000 1.032 329 S CA 1.514 59.754 58.200 0.066 0.000 1.005 329 S CB -0.606 62.581 63.200 -0.021 0.000 0.867 329 S HN 0.666 nan 8.310 nan 0.000 0.449 330 Y N 1.607 121.970 120.300 0.105 0.000 2.165 330 Y HA -0.215 4.331 4.550 -0.007 0.000 0.286 330 Y C 2.462 178.453 175.900 0.152 0.000 1.155 330 Y CA 1.580 59.756 58.100 0.127 0.000 1.164 330 Y CB -0.398 38.117 38.460 0.091 0.000 0.978 330 Y HN 0.323 nan 8.280 nan 0.000 0.513 331 D N -0.547 120.025 120.400 0.286 0.000 2.097 331 D HA -0.186 4.450 4.640 -0.007 0.000 0.195 331 D C 2.123 178.549 176.300 0.210 0.000 0.989 331 D CA 1.256 55.381 54.000 0.209 0.000 0.827 331 D CB 0.122 41.027 40.800 0.175 0.000 0.966 331 D HN -0.063 nan 8.370 nan 0.000 0.456 332 R N -0.784 119.852 120.500 0.226 0.000 2.066 332 R HA -0.090 4.245 4.340 -0.007 0.000 0.232 332 R C 2.065 178.503 176.300 0.230 0.000 1.131 332 R CA 1.143 57.398 56.100 0.259 0.000 0.955 332 R CB -1.319 29.113 30.300 0.220 0.000 0.851 332 R HN 0.393 nan 8.270 nan 0.000 0.432 333 Y N 0.763 121.093 120.300 0.050 0.000 2.097 333 Y HA -0.159 4.387 4.550 -0.007 0.000 0.282 333 Y C 1.936 177.838 175.900 0.003 0.000 1.152 333 Y CA 1.651 59.742 58.100 -0.015 0.000 1.136 333 Y CB -0.335 38.065 38.460 -0.101 0.000 0.975 333 Y HN -0.044 nan 8.280 nan 0.000 0.498 334 I N 0.181 120.781 120.570 0.051 0.000 2.226 334 I HA -0.338 3.828 4.170 -0.007 0.000 0.245 334 I C 1.376 177.408 176.117 -0.142 0.000 1.100 334 I CA 2.071 63.341 61.300 -0.050 0.000 1.374 334 I CB -0.422 37.630 38.000 0.088 0.000 1.057 334 I HN 0.286 nan 8.210 nan 0.000 0.413 335 N N -1.463 117.159 118.700 -0.130 0.000 2.373 335 N HA 0.006 4.741 4.740 -0.007 0.000 0.181 335 N C 1.234 176.362 175.510 -0.637 0.000 1.082 335 N CA 0.546 53.395 53.050 -0.334 0.000 0.885 335 N CB 0.321 38.615 38.487 -0.321 0.000 0.977 335 N HN 0.365 nan 8.380 nan 0.000 0.462 336 H N -1.799 117.149 119.070 -0.204 0.000 3.838 336 H HA 0.271 4.823 4.556 -0.007 0.000 0.255 336 H C 1.065 176.314 175.328 -0.133 0.000 1.074 336 H CA 0.565 56.465 56.048 -0.247 0.000 1.143 336 H CB 1.046 30.544 29.762 -0.441 0.000 1.479 336 H HN 0.159 nan 8.280 nan 0.000 0.644 337 G N 2.105 110.855 108.800 -0.083 0.000 2.681 337 G HA2 -0.276 3.680 3.960 -0.007 0.000 0.220 337 G HA3 -0.276 3.680 3.960 -0.007 0.000 0.220 337 G C -0.396 174.500 174.900 -0.007 0.000 1.353 337 G CA -0.244 44.749 45.100 -0.179 0.000 0.872 337 G HN 0.346 nan 8.290 nan 0.000 0.557 338 N N 0.423 119.098 118.700 -0.043 0.000 2.437 338 N HA 0.459 5.195 4.740 -0.007 0.000 0.243 338 N C 0.643 176.253 175.510 0.166 0.000 1.041 338 N CA 0.340 53.394 53.050 0.007 0.000 0.940 338 N CB 0.687 39.023 38.487 -0.251 0.000 1.133 338 N HN 0.516 nan 8.380 nan 0.000 0.506 339 S N 1.683 117.523 115.700 0.232 0.000 2.602 339 S HA 0.079 4.545 4.470 -0.007 0.000 0.246 339 S C 0.750 175.471 174.600 0.201 0.000 1.009 339 S CA -0.131 58.204 58.200 0.225 0.000 1.052 339 S CB -0.628 62.676 63.200 0.173 0.000 0.778 339 S HN 0.767 nan 8.310 nan 0.000 0.455 340 S N 2.572 118.469 115.700 0.328 0.000 3.927 340 S HA -0.338 4.128 4.470 -0.007 0.000 0.618 340 S C 1.894 176.470 174.600 -0.040 0.000 2.201 340 S CA 2.040 60.345 58.200 0.174 0.000 4.160 340 S CB -1.707 61.493 63.200 0.001 0.000 0.266 340 S HN 0.956 nan 8.310 nan 0.000 0.760 341 S N 1.505 117.114 115.700 -0.152 0.000 2.442 341 S HA 0.164 4.630 4.470 -0.007 0.000 0.236 341 S C 1.863 176.305 174.600 -0.263 0.000 1.007 341 S CA 1.592 59.644 58.200 -0.247 0.000 0.965 341 S CB -0.832 62.242 63.200 -0.210 0.000 0.773 341 S HN 1.587 nan 8.310 nan 0.000 0.504 342 A N 1.257 123.984 122.820 -0.155 0.000 2.169 342 A HA 0.159 4.475 4.320 -0.007 0.000 0.212 342 A C 2.180 179.690 177.584 -0.123 0.000 1.153 342 A CA 1.133 53.072 52.037 -0.163 0.000 0.756 342 A CB -1.029 17.896 19.000 -0.125 0.000 0.813 342 A HN 0.564 nan 8.150 nan 0.000 0.471 343 T N 0.231 114.777 114.554 -0.013 0.000 2.777 343 T HA -0.128 4.218 4.350 -0.007 0.000 0.266 343 T C 1.785 176.531 174.700 0.076 0.000 1.040 343 T CA 1.483 63.646 62.100 0.105 0.000 1.141 343 T CB -0.296 68.741 68.868 0.283 0.000 0.868 343 T HN 0.365 nan 8.240 nan 0.000 0.444 344 I N 0.875 121.440 120.570 -0.008 0.000 2.226 344 I HA -0.103 4.063 4.170 -0.007 0.000 0.245 344 I C 1.568 177.743 176.117 0.097 0.000 1.100 344 I CA 1.217 62.515 61.300 -0.003 0.000 1.374 344 I CB -0.432 37.502 38.000 -0.110 0.000 1.057 344 I HN 0.078 nan 8.210 nan 0.000 0.413 345 F N -0.287 119.657 119.950 -0.010 0.000 2.234 345 F HA -0.079 4.444 4.527 -0.007 0.000 0.299 345 F C 2.902 178.700 175.800 -0.004 0.000 1.087 345 F CA 1.172 59.160 58.000 -0.021 0.000 1.340 345 F CB -1.759 37.220 39.000 -0.035 0.000 1.031 345 F HN 0.111 nan 8.300 nan 0.000 0.500 346 S N 0.062 115.854 115.700 0.154 0.000 2.368 346 S HA -0.119 4.347 4.470 -0.007 0.000 0.225 346 S C 2.316 176.999 174.600 0.138 0.000 1.030 346 S CA 1.284 59.542 58.200 0.096 0.000 0.999 346 S CB -0.484 62.736 63.200 0.034 0.000 0.844 346 S HN 0.079 nan 8.310 nan 0.000 0.459 347 V N 2.179 122.179 119.914 0.143 0.000 2.287 347 V HA -0.170 3.946 4.120 -0.007 0.000 0.248 347 V C 2.418 178.601 176.094 0.148 0.000 1.053 347 V CA 1.972 64.359 62.300 0.145 0.000 1.027 347 V CB -0.723 31.178 31.823 0.131 0.000 0.646 347 V HN 0.475 nan 8.190 nan 0.000 0.447 348 L N 0.211 121.518 121.223 0.141 0.000 2.083 348 L HA -0.197 4.139 4.340 -0.007 0.000 0.209 348 L C 2.452 179.461 176.870 0.232 0.000 1.083 348 L CA 1.939 56.856 54.840 0.129 0.000 0.752 348 L CB -0.719 41.345 42.059 0.009 0.000 0.899 348 L HN 0.441 nan 8.230 nan 0.000 0.433 349 N N 0.512 119.323 118.700 0.185 0.000 2.084 349 N HA -0.237 4.499 4.740 -0.007 0.000 0.190 349 N C 1.945 177.540 175.510 0.141 0.000 1.030 349 N CA 1.345 54.487 53.050 0.154 0.000 0.849 349 N CB -0.038 38.514 38.487 0.109 0.000 1.012 349 N HN -0.000 nan 8.380 nan 0.000 0.423 350 R N -0.019 120.566 120.500 0.142 0.000 2.096 350 R HA 0.008 4.344 4.340 -0.007 0.000 0.235 350 R C 1.991 178.372 176.300 0.136 0.000 1.127 350 R CA 0.770 56.950 56.100 0.133 0.000 0.968 350 R CB -0.904 29.482 30.300 0.143 0.000 0.861 350 R HN 0.348 nan 8.270 nan 0.000 0.440 351 L N 1.100 122.422 121.223 0.165 0.000 2.079 351 L HA -0.146 4.189 4.340 -0.007 0.000 0.210 351 L C 1.591 178.549 176.870 0.147 0.000 1.081 351 L CA 1.934 56.877 54.840 0.172 0.000 0.752 351 L CB -0.357 41.831 42.059 0.215 0.000 0.896 351 L HN 0.246 nan 8.230 nan 0.000 0.433 352 R N -0.420 120.163 120.500 0.138 0.000 2.320 352 R HA 0.187 4.523 4.340 -0.007 0.000 0.211 352 R C 0.246 176.565 176.300 0.031 0.000 0.931 352 R CA 0.046 56.178 56.100 0.053 0.000 1.071 352 R CB -1.112 29.163 30.300 -0.041 0.000 1.025 352 R HN 0.367 nan 8.270 nan 0.000 0.495 353 E N 1.173 121.407 120.200 0.056 0.000 2.349 353 E HA 0.130 4.476 4.350 -0.007 0.000 0.265 353 E C 0.194 176.818 176.600 0.039 0.000 1.064 353 E CA -0.714 55.712 56.400 0.044 0.000 0.886 353 E CB 0.869 30.603 29.700 0.057 0.000 1.036 353 E HN -0.082 nan 8.360 nan 0.000 0.413 354 K N 1.833 122.249 120.400 0.028 0.000 2.103 354 K HA -0.174 4.141 4.320 -0.007 0.000 0.207 354 K C 1.289 177.907 176.600 0.029 0.000 1.048 354 K CA 1.603 57.904 56.287 0.023 0.000 0.930 354 K CB -0.275 32.235 32.500 0.016 0.000 0.716 354 K HN 0.588 nan 8.250 nan 0.000 0.444 355 D N -0.536 119.886 120.400 0.035 0.000 2.312 355 D HA -0.113 4.523 4.640 -0.007 0.000 0.211 355 D C 1.597 177.925 176.300 0.046 0.000 0.964 355 D CA 0.661 54.683 54.000 0.037 0.000 0.877 355 D CB -0.058 40.765 40.800 0.037 0.000 0.924 355 D HN 0.006 nan 8.370 nan 0.000 0.515 356 M N 0.650 120.284 119.600 0.057 0.000 2.287 356 M HA -0.003 4.473 4.480 -0.007 0.000 0.266 356 M C 0.978 177.313 176.300 0.058 0.000 1.079 356 M CA 0.797 56.138 55.300 0.069 0.000 1.146 356 M CB -0.448 32.206 32.600 0.091 0.000 1.374 356 M HN -0.066 nan 8.290 nan 0.000 0.435 357 D N 1.201 121.629 120.400 0.048 0.000 2.133 357 D HA -0.120 4.515 4.640 -0.007 0.000 0.195 357 D C 1.914 178.231 176.300 0.029 0.000 0.997 357 D CA 1.747 55.769 54.000 0.037 0.000 0.840 357 D CB -0.212 40.605 40.800 0.027 0.000 0.947 357 D HN 0.324 nan 8.370 nan 0.000 0.452 358 A N -0.005 122.831 122.820 0.026 0.000 2.076 358 A HA -0.087 4.229 4.320 -0.007 0.000 0.220 358 A C 2.012 179.606 177.584 0.018 0.000 1.160 358 A CA 0.835 52.884 52.037 0.019 0.000 0.653 358 A CB -0.438 18.573 19.000 0.018 0.000 0.801 358 A HN 0.278 nan 8.150 nan 0.000 0.455 359 L N -0.751 120.487 121.223 0.025 0.000 2.728 359 L HA 0.285 4.621 4.340 -0.007 0.000 0.238 359 L C 1.082 177.961 176.870 0.015 0.000 1.143 359 L CA -0.296 54.556 54.840 0.021 0.000 0.937 359 L CB -0.112 41.965 42.059 0.031 0.000 1.225 359 L HN 0.337 nan 8.230 nan 0.000 0.507 360 A N 1.020 123.848 122.820 0.013 0.000 2.498 360 A HA 0.314 4.629 4.320 -0.007 0.000 0.239 360 A C -2.190 175.371 177.584 -0.039 0.000 1.068 360 A CA -0.849 51.184 52.037 -0.005 0.000 0.766 360 A CB -0.470 18.535 19.000 0.009 0.000 1.003 360 A HN -0.028 nan 8.150 nan 0.000 0.497 361 P HA 0.219 nan 4.420 nan 0.000 0.262 361 P C 0.919 178.186 177.300 -0.056 0.000 1.199 361 P CA 1.815 64.843 63.100 -0.119 0.000 0.763 361 P CB 0.431 31.919 31.700 -0.354 0.000 0.790 362 G N 3.513 112.300 108.800 -0.021 0.000 2.203 362 G HA2 -0.162 3.794 3.960 -0.007 0.000 0.263 362 G HA3 -0.162 3.794 3.960 -0.007 0.000 0.263 362 G C 0.909 175.805 174.900 -0.006 0.000 1.012 362 G CA 0.554 45.650 45.100 -0.007 0.000 0.749 362 G HN 1.016 nan 8.290 nan 0.000 0.512 363 G N -1.506 107.290 108.800 -0.007 0.000 2.168 363 G HA2 -0.262 3.694 3.960 -0.007 0.000 0.257 363 G HA3 -0.262 3.694 3.960 -0.007 0.000 0.257 363 G C 0.326 175.228 174.900 0.003 0.000 0.997 363 G CA 1.050 46.150 45.100 -0.000 0.000 0.708 363 G HN 0.975 nan 8.290 nan 0.000 0.520 364 K N 0.867 121.267 120.400 -0.001 0.000 2.354 364 K HA 0.512 4.827 4.320 -0.007 0.000 0.257 364 K C 0.335 176.951 176.600 0.026 0.000 1.062 364 K CA -0.670 55.623 56.287 0.010 0.000 0.971 364 K CB 1.479 33.979 32.500 0.001 0.000 1.305 364 K HN 0.120 nan 8.250 nan 0.000 0.449 365 V N 4.590 124.529 119.914 0.041 0.000 2.479 365 V HA 0.043 4.159 4.120 -0.007 0.000 0.281 365 V C 0.664 176.819 176.094 0.102 0.000 1.031 365 V CA -0.273 62.064 62.300 0.062 0.000 1.038 365 V CB 0.241 32.092 31.823 0.047 0.000 0.981 365 V HN 0.365 nan 8.190 nan 0.000 0.478 366 K N 3.910 124.398 120.400 0.147 0.000 2.144 366 K HA 0.241 4.556 4.320 -0.007 0.000 0.270 366 K C 0.918 177.612 176.600 0.156 0.000 1.005 366 K CA -0.258 56.177 56.287 0.247 0.000 0.932 366 K CB 1.222 33.926 32.500 0.339 0.000 1.021 366 K HN 0.716 nan 8.250 nan 0.000 0.462 367 E N 1.052 121.318 120.200 0.110 0.000 2.371 367 E HA -0.027 4.319 4.350 -0.007 0.000 0.194 367 E C -0.598 175.668 176.600 -0.557 0.000 1.012 367 E CA 0.515 56.770 56.400 -0.242 0.000 0.860 367 E CB 0.346 29.860 29.700 -0.310 0.000 0.811 367 E HN 0.422 nan 8.360 nan 0.000 0.502 368 Y N -0.708 119.448 120.300 -0.239 0.000 2.409 368 Y HA 0.444 4.990 4.550 -0.007 0.000 0.343 368 Y C -0.695 175.329 175.900 0.207 0.000 0.973 368 Y CA -1.075 56.978 58.100 -0.077 0.000 1.064 368 Y CB 2.067 40.389 38.460 -0.231 0.000 1.207 368 Y HN -0.334 nan 8.280 nan 0.000 0.452 369 V N 4.110 124.182 119.914 0.262 0.000 2.531 369 V HA 0.389 4.505 4.120 -0.007 0.000 0.301 369 V C -0.710 175.333 176.094 -0.084 0.000 1.034 369 V CA -0.986 61.384 62.300 0.117 0.000 0.865 369 V CB 1.794 33.660 31.823 0.071 0.000 0.995 369 V HN 0.524 nan 8.190 nan 0.000 0.424 370 V N 4.071 123.784 119.914 -0.335 0.000 2.406 370 V HA 0.606 4.722 4.120 -0.007 0.000 0.272 370 V C 0.917 176.806 176.094 -0.340 0.000 1.043 370 V CA -0.095 61.860 62.300 -0.575 0.000 0.915 370 V CB 1.396 32.416 31.823 -1.337 0.000 0.988 370 V HN 0.964 nan 8.190 nan 0.000 0.466 371 G N 2.984 111.661 108.800 -0.204 0.000 2.348 371 G HA2 0.511 4.467 3.960 -0.007 0.000 0.312 371 G HA3 0.511 4.467 3.960 -0.007 0.000 0.312 371 G C -0.869 173.995 174.900 -0.060 0.000 1.126 371 G CA -0.280 44.768 45.100 -0.087 0.000 0.865 371 G HN 0.833 nan 8.290 nan 0.000 0.474 372 C N 1.427 120.736 119.300 0.015 0.000 2.782 372 C HA 0.902 5.358 4.460 -0.007 0.000 0.328 372 C C -0.193 174.770 174.990 -0.044 0.000 1.145 372 C CA 0.268 59.276 59.018 -0.016 0.000 1.358 372 C CB 0.446 28.282 27.740 0.159 0.000 1.841 372 C HN 1.308 nan 8.230 nan 0.000 0.477 373 A N 3.877 126.544 122.820 -0.255 0.000 2.594 373 A HA 0.926 5.242 4.320 -0.007 0.000 0.295 373 A C -1.689 175.605 177.584 -0.484 0.000 1.071 373 A CA -0.356 51.563 52.037 -0.196 0.000 0.685 373 A CB 0.909 19.808 19.000 -0.169 0.000 1.285 373 A HN 0.742 nan 8.150 nan 0.000 0.405 374 F N 0.240 120.196 119.950 0.010 0.000 2.563 374 F HA 0.808 5.331 4.527 -0.008 0.000 0.316 374 F C 0.807 176.585 175.800 -0.037 0.000 1.076 374 F CA 0.085 58.084 58.000 -0.002 0.000 0.921 374 F CB 2.924 41.939 39.000 0.024 0.000 1.209 374 F HN 0.985 nan 8.300 nan 0.000 0.462 375 G N 0.769 109.646 108.800 0.129 0.000 2.663 375 G HA2 0.605 4.561 3.960 -0.007 0.000 0.299 375 G HA3 0.605 4.561 3.960 -0.007 0.000 0.299 375 G C -3.336 171.587 174.900 0.038 0.000 1.372 375 G CA -1.824 43.302 45.100 0.043 0.000 0.781 375 G HN 0.224 nan 8.290 nan 0.000 0.491 376 P HA 0.244 nan 4.420 nan 0.000 0.263 376 P C 0.812 178.121 177.300 0.016 0.000 1.168 376 P CA 1.939 65.046 63.100 0.012 0.000 0.759 376 P CB 1.002 32.703 31.700 0.003 0.000 0.782 377 G N 2.707 111.520 108.800 0.022 0.000 4.399 377 G HA2 -0.093 3.862 3.960 -0.007 0.000 0.158 377 G HA3 -0.093 3.862 3.960 -0.007 0.000 0.158 377 G C -0.280 174.634 174.900 0.023 0.000 1.911 377 G CA -0.461 44.654 45.100 0.025 0.000 0.926 377 G HN 0.445 nan 8.290 nan 0.000 0.292 378 I N 3.042 123.627 120.570 0.024 0.000 2.533 378 I HA 0.242 4.407 4.170 -0.007 0.000 0.284 378 I C -0.511 175.648 176.117 0.070 0.000 1.109 378 I CA -0.470 60.861 61.300 0.052 0.000 1.412 378 I CB 0.806 38.845 38.000 0.065 0.000 1.396 378 I HN 0.120 nan 8.210 nan 0.000 0.543 379 N N 5.777 124.514 118.700 0.061 0.000 2.455 379 N HA 0.385 5.120 4.740 -0.007 0.000 0.280 379 N C -0.816 174.713 175.510 0.032 0.000 1.055 379 N CA -0.350 52.721 53.050 0.034 0.000 0.961 379 N CB 1.804 40.287 38.487 -0.006 0.000 1.121 379 N HN 0.191 nan 8.380 nan 0.000 0.476 380 V N 2.030 121.935 119.914 -0.015 0.000 2.459 380 V HA 0.389 4.505 4.120 -0.007 0.000 0.295 380 V C -0.113 175.869 176.094 -0.186 0.000 1.029 380 V CA -0.659 61.537 62.300 -0.173 0.000 0.874 380 V CB 1.632 33.413 31.823 -0.071 0.000 0.985 380 V HN 0.505 nan 8.190 nan 0.000 0.438 381 E N 4.625 124.652 120.200 -0.290 0.000 2.248 381 E HA 0.615 4.961 4.350 -0.007 0.000 0.267 381 E C -0.996 175.495 176.600 -0.181 0.000 0.877 381 E CA -0.545 55.749 56.400 -0.177 0.000 0.759 381 E CB 3.014 32.621 29.700 -0.155 0.000 1.182 381 E HN 0.616 nan 8.360 nan 0.000 0.418 382 M N 2.286 121.835 119.600 -0.086 0.000 2.446 382 M HA 0.437 4.913 4.480 -0.007 0.000 0.294 382 M C -1.320 174.968 176.300 -0.019 0.000 1.158 382 M CA -0.571 54.685 55.300 -0.074 0.000 0.899 382 M CB 1.561 34.122 32.600 -0.065 0.000 1.687 382 M HN 0.823 nan 8.290 nan 0.000 0.455 383 C N 2.637 121.909 119.300 -0.047 0.000 2.889 383 C HA 0.923 5.379 4.460 -0.007 0.000 0.307 383 C C -0.805 174.135 174.990 -0.083 0.000 1.251 383 C CA -0.977 58.045 59.018 0.006 0.000 1.593 383 C CB 1.650 29.415 27.740 0.042 0.000 2.104 383 C HN 0.991 nan 8.230 nan 0.000 0.476 384 M N 2.837 122.411 119.600 -0.044 0.000 2.243 384 M HA 0.774 5.249 4.480 -0.007 0.000 0.324 384 M C -1.401 174.911 176.300 0.020 0.000 1.031 384 M CA -0.895 54.363 55.300 -0.069 0.000 0.949 384 M CB 0.758 33.298 32.600 -0.099 0.000 1.615 384 M HN 0.801 nan 8.290 nan 0.000 0.430 385 L N 3.715 124.953 121.223 0.026 0.000 2.354 385 L HA 0.626 4.962 4.340 -0.007 0.000 0.269 385 L C -0.535 176.397 176.870 0.103 0.000 1.005 385 L CA -0.861 54.011 54.840 0.054 0.000 0.819 385 L CB 2.086 44.104 42.059 -0.069 0.000 1.311 385 L HN 0.622 nan 8.230 nan 0.000 0.423 386 K N 2.751 123.180 120.400 0.048 0.000 2.293 386 K HA 0.365 4.681 4.320 -0.007 0.000 0.267 386 K C -0.553 175.997 176.600 -0.084 0.000 1.010 386 K CA -0.690 55.473 56.287 -0.207 0.000 0.875 386 K CB 1.187 33.523 32.500 -0.274 0.000 1.106 386 K HN 0.497 nan 8.250 nan 0.000 0.450 387 R N 4.245 124.671 120.500 -0.123 0.000 2.298 387 R HA 0.150 4.486 4.340 -0.007 0.000 0.310 387 R C -0.050 176.123 176.300 -0.212 0.000 1.068 387 R CA -0.444 55.582 56.100 -0.123 0.000 0.957 387 R CB 0.588 30.859 30.300 -0.049 0.000 1.003 387 R HN 0.592 nan 8.270 nan 0.000 0.454 388 R N 0.000 120.358 120.500 -0.236 0.000 2.786 388 R HA 0.000 4.336 4.340 -0.007 0.000 0.208 388 R CA 0.000 55.994 56.100 -0.177 0.000 0.921 388 R CB 0.000 30.205 30.300 -0.159 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535