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 2de2_1_A DATA FIRST_RESID 19 DATA SEQUENCE RDTLTYSNCP VPNALLTASE SGFLDAAGIE LDVLSGQQGT VHFTYDQPAY DATA SEQUENCE TRFGGEIPPL LSEGLRAPGR TRLLGITPLL GRQGFFVRDD SPITAAADLA DATA SEQUENCE GRRIGVSASA IRILRGQLGD YLELDPWRQT LVALGSWEAR ALLHTLEHGE DATA SEQUENCE LGVDDVELVP ISSPGVDVPA EQLEESATVK GADLFPDVAR GQAAVLASGD DATA SEQUENCE VDALYSWLPW AGELQATGAR PVVDLGLDER NAYASVWTVS SGLVRQRPGL DATA SEQUENCE VQRLVDAAVD AGLWARDHSD AVTSLHAANL GVSTGAVGQG FGADFQQRLV DATA SEQUENCE PRLDHDALAL LERTQQFLLT NNLLQEPVAL DQWAAPEFLN NSLNRHR 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.294 176.300 -0.009 0.000 0.893 19 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 19 R CB 0.000 30.289 30.300 -0.019 0.000 0.687 20 D N 1.937 122.331 120.400 -0.009 0.000 2.312 20 D HA 0.220 4.866 4.640 0.009 0.000 0.252 20 D C -0.270 176.027 176.300 -0.005 0.000 1.150 20 D CA 0.477 54.474 54.000 -0.005 0.000 0.870 20 D CB 1.389 42.186 40.800 -0.005 0.000 1.153 20 D HN 0.196 nan 8.370 nan 0.000 0.457 21 T N 2.982 117.538 114.554 0.002 0.000 2.794 21 T HA 0.478 4.834 4.350 0.009 0.000 0.280 21 T C 0.291 175.005 174.700 0.023 0.000 0.987 21 T CA -0.573 61.532 62.100 0.007 0.000 0.993 21 T CB 0.917 69.791 68.868 0.010 0.000 0.939 21 T HN 0.099 nan 8.240 nan 0.000 0.449 22 L N 3.163 124.403 121.223 0.029 0.000 2.346 22 L HA 0.522 4.867 4.340 0.009 0.000 0.276 22 L C 0.959 177.896 176.870 0.111 0.000 1.006 22 L CA -1.159 53.718 54.840 0.061 0.000 0.817 22 L CB 2.002 44.087 42.059 0.045 0.000 1.272 22 L HN 0.697 nan 8.230 nan 0.000 0.421 23 T N -1.016 113.642 114.554 0.172 0.000 2.898 23 T HA 0.402 4.757 4.350 0.009 0.000 0.301 23 T C -0.743 174.167 174.700 0.350 0.000 1.049 23 T CA -0.237 62.017 62.100 0.256 0.000 1.095 23 T CB 1.300 70.335 68.868 0.279 0.000 0.976 23 T HN 0.507 nan 8.240 nan 0.000 0.539 24 Y N -0.206 120.198 120.300 0.174 0.000 2.609 24 Y HA 0.526 5.082 4.550 0.010 0.000 0.336 24 Y C -1.476 174.515 175.900 0.151 0.000 1.129 24 Y CA -0.936 57.199 58.100 0.059 0.000 1.040 24 Y CB 1.750 40.212 38.460 0.003 0.000 1.310 24 Y HN 0.818 nan 8.280 nan 0.000 0.460 25 S N 3.784 119.097 115.700 -0.645 0.000 2.605 25 S HA 0.282 4.758 4.470 0.009 0.000 0.308 25 S C -1.339 172.629 174.600 -1.054 0.000 1.113 25 S CA -0.862 57.016 58.200 -0.537 0.000 1.049 25 S CB 0.777 63.922 63.200 -0.092 0.000 1.001 25 S HN 0.581 nan 8.310 nan 0.000 0.480 26 N N 2.558 120.826 118.700 -0.720 0.000 2.415 26 N HA 0.245 4.991 4.740 0.009 0.000 0.246 26 N C -0.835 174.551 175.510 -0.207 0.000 1.078 26 N CA -0.167 52.625 53.050 -0.430 0.000 0.942 26 N CB 0.087 38.504 38.487 -0.117 0.000 1.140 26 N HN 0.523 nan 8.380 nan 0.000 0.501 27 C N 4.277 123.478 119.300 -0.166 0.000 2.370 27 C HA 0.442 4.908 4.460 0.009 0.000 0.354 27 C C -1.313 173.587 174.990 -0.150 0.000 1.218 27 C CA -1.116 57.844 59.018 -0.096 0.000 2.154 27 C CB 1.491 29.214 27.740 -0.029 0.000 2.391 27 C HN 0.581 nan 8.230 nan 0.000 0.540 28 P HA 0.145 nan 4.420 nan 0.000 0.228 28 P C -0.459 176.701 177.300 -0.234 0.000 1.748 28 P CA 0.530 63.458 63.100 -0.286 0.000 0.909 28 P CB -0.303 31.158 31.700 -0.399 0.000 1.882 29 V N -2.770 116.962 119.914 -0.304 0.000 2.962 29 V HA 0.733 4.858 4.120 0.009 0.000 0.313 29 V C -2.952 172.642 176.094 -0.833 0.000 1.099 29 V CA -3.176 58.755 62.300 -0.617 0.000 0.971 29 V CB 2.353 33.929 31.823 -0.411 0.000 1.028 29 V HN -0.119 nan 8.190 nan 0.000 0.430 30 P HA 0.295 nan 4.420 nan 0.000 0.276 30 P C -1.083 175.874 177.300 -0.570 0.000 1.235 30 P CA 0.305 62.806 63.100 -0.999 0.000 0.772 30 P CB 0.477 31.393 31.700 -1.307 0.000 0.871 31 N N 1.434 119.949 118.700 -0.309 0.000 2.710 31 N HA 0.217 4.963 4.740 0.009 0.000 0.257 31 N C 0.005 175.273 175.510 -0.404 0.000 1.327 31 N CA -0.774 51.857 53.050 -0.698 0.000 0.861 31 N CB 1.126 38.783 38.487 -1.383 0.000 1.532 31 N HN 0.179 nan 8.380 nan 0.000 0.499 32 A N 0.490 123.052 122.820 -0.432 0.000 2.066 32 A HA -0.025 4.300 4.320 0.009 0.000 0.218 32 A C 1.864 179.278 177.584 -0.282 0.000 1.157 32 A CA 0.772 52.669 52.037 -0.233 0.000 0.670 32 A CB -0.427 18.491 19.000 -0.137 0.000 0.804 32 A HN 0.552 nan 8.150 nan 0.000 0.453 33 L N -0.673 120.309 121.223 -0.401 0.000 2.027 33 L HA -0.045 4.301 4.340 0.009 0.000 0.206 33 L C 2.177 178.893 176.870 -0.257 0.000 1.074 33 L CA 1.933 56.544 54.840 -0.382 0.000 0.745 33 L CB -0.676 41.119 42.059 -0.439 0.000 0.898 33 L HN 0.336 nan 8.230 nan 0.000 0.433 34 L N -0.888 120.202 121.223 -0.221 0.000 2.046 34 L HA -0.170 4.176 4.340 0.009 0.000 0.208 34 L C 2.291 179.039 176.870 -0.204 0.000 1.077 34 L CA 2.454 57.175 54.840 -0.198 0.000 0.747 34 L CB -1.120 40.795 42.059 -0.239 0.000 0.896 34 L HN 0.342 nan 8.230 nan 0.000 0.432 35 T N 0.015 114.466 114.554 -0.171 0.000 2.684 35 T HA -0.191 4.165 4.350 0.009 0.000 0.267 35 T C 1.914 176.568 174.700 -0.076 0.000 1.036 35 T CA 1.488 63.550 62.100 -0.062 0.000 1.148 35 T CB -0.630 68.277 68.868 0.065 0.000 0.863 35 T HN 0.546 nan 8.240 nan 0.000 0.436 36 A N 0.929 123.689 122.820 -0.100 0.000 1.902 36 A HA -0.089 4.237 4.320 0.009 0.000 0.217 36 A C 2.581 180.126 177.584 -0.065 0.000 1.181 36 A CA 2.106 54.120 52.037 -0.040 0.000 0.623 36 A CB -1.064 17.898 19.000 -0.064 0.000 0.818 36 A HN 0.448 nan 8.150 nan 0.000 0.443 37 S N -0.680 114.938 115.700 -0.137 0.000 2.356 37 S HA -0.158 4.318 4.470 0.009 0.000 0.223 37 S C 1.914 176.426 174.600 -0.146 0.000 1.032 37 S CA 1.531 59.634 58.200 -0.162 0.000 1.005 37 S CB -0.353 62.702 63.200 -0.241 0.000 0.867 37 S HN 0.568 nan 8.310 nan 0.000 0.449 38 E N 0.985 121.100 120.200 -0.142 0.000 2.208 38 E HA -0.030 4.325 4.350 0.009 0.000 0.193 38 E C 2.196 178.708 176.600 -0.147 0.000 0.988 38 E CA 1.154 57.479 56.400 -0.125 0.000 0.828 38 E CB -0.282 29.353 29.700 -0.109 0.000 0.763 38 E HN 0.740 nan 8.360 nan 0.000 0.478 39 S N -1.465 114.110 115.700 -0.208 0.000 2.517 39 S HA 0.273 4.749 4.470 0.009 0.000 0.214 39 S C 1.550 175.877 174.600 -0.455 0.000 0.991 39 S CA 0.581 58.553 58.200 -0.380 0.000 0.906 39 S CB 0.844 63.603 63.200 -0.736 0.000 0.789 39 S HN 0.268 nan 8.310 nan 0.000 0.513 40 G N 0.359 108.962 108.800 -0.328 0.000 2.218 40 G HA2 -0.231 3.735 3.960 0.009 0.000 0.216 40 G HA3 -0.231 3.735 3.960 0.009 0.000 0.216 40 G C 0.437 175.125 174.900 -0.353 0.000 0.994 40 G CA 0.058 44.949 45.100 -0.347 0.000 0.637 40 G HN 0.448 nan 8.290 nan 0.000 0.505 41 F N 0.803 120.591 119.950 -0.270 0.000 2.171 41 F HA 0.201 4.731 4.527 0.006 0.000 0.300 41 F C 2.754 178.477 175.800 -0.128 0.000 1.090 41 F CA 1.726 59.607 58.000 -0.197 0.000 1.293 41 F CB -0.343 38.534 39.000 -0.204 0.000 1.013 41 F HN 0.229 nan 8.300 nan 0.000 0.486 42 L N -0.425 120.822 121.223 0.041 0.000 2.017 42 L HA -0.236 4.110 4.340 0.009 0.000 0.208 42 L C 2.182 179.034 176.870 -0.029 0.000 1.073 42 L CA 1.492 56.331 54.840 -0.002 0.000 0.745 42 L CB -0.585 41.441 42.059 -0.055 0.000 0.894 42 L HN 0.133 nan 8.230 nan 0.000 0.432 43 D N -0.051 120.309 120.400 -0.066 0.000 2.144 43 D HA -0.171 4.474 4.640 0.009 0.000 0.199 43 D C 2.072 178.335 176.300 -0.062 0.000 0.984 43 D CA 1.461 55.419 54.000 -0.070 0.000 0.834 43 D CB 0.218 40.962 40.800 -0.093 0.000 0.955 43 D HN 0.341 nan 8.370 nan 0.000 0.465 44 A N 0.919 123.693 122.820 -0.076 0.000 2.067 44 A HA 0.022 4.348 4.320 0.009 0.000 0.219 44 A C 2.101 179.675 177.584 -0.017 0.000 1.158 44 A CA 1.531 53.529 52.037 -0.064 0.000 0.661 44 A CB -0.172 18.766 19.000 -0.103 0.000 0.801 44 A HN 0.221 nan 8.150 nan 0.000 0.452 45 A N -1.616 121.207 122.820 0.005 0.000 2.307 45 A HA 0.442 4.768 4.320 0.009 0.000 0.218 45 A C 1.588 179.175 177.584 0.006 0.000 1.228 45 A CA 0.957 53.007 52.037 0.022 0.000 0.857 45 A CB -0.927 18.102 19.000 0.048 0.000 0.897 45 A HN 1.812 nan 8.150 nan 0.000 0.495 46 G N -0.567 108.227 108.800 -0.010 0.000 2.198 46 G HA2 -0.222 3.744 3.960 0.009 0.000 0.257 46 G HA3 -0.222 3.744 3.960 0.009 0.000 0.257 46 G C -0.078 174.814 174.900 -0.014 0.000 1.042 46 G CA 0.580 45.672 45.100 -0.013 0.000 0.791 46 G HN 0.521 nan 8.290 nan 0.000 0.502 47 I N -0.062 120.497 120.570 -0.019 0.000 2.689 47 I HA 0.631 4.806 4.170 0.009 0.000 0.299 47 I C -0.048 176.044 176.117 -0.042 0.000 1.059 47 I CA -1.048 60.238 61.300 -0.023 0.000 1.055 47 I CB 2.146 40.139 38.000 -0.013 0.000 1.243 47 I HN 0.403 nan 8.210 nan 0.000 0.425 48 E N 5.970 126.143 120.200 -0.044 0.000 2.340 48 E HA 0.676 5.032 4.350 0.009 0.000 0.273 48 E C -1.777 174.781 176.600 -0.069 0.000 0.891 48 E CA -0.950 55.413 56.400 -0.062 0.000 0.757 48 E CB 2.421 32.094 29.700 -0.045 0.000 1.231 48 E HN 0.410 nan 8.360 nan 0.000 0.439 49 L N 1.751 122.907 121.223 -0.112 0.000 2.295 49 L HA 0.425 4.771 4.340 0.009 0.000 0.285 49 L C -0.654 176.212 176.870 -0.008 0.000 1.035 49 L CA -0.987 53.783 54.840 -0.117 0.000 0.806 49 L CB 1.304 43.123 42.059 -0.401 0.000 1.214 49 L HN 0.666 nan 8.230 nan 0.000 0.426 50 D N 2.640 123.082 120.400 0.070 0.000 2.454 50 D HA 0.268 4.914 4.640 0.009 0.000 0.225 50 D C -0.463 175.937 176.300 0.166 0.000 1.081 50 D CA -0.396 53.659 54.000 0.092 0.000 0.864 50 D CB 1.315 42.157 40.800 0.069 0.000 1.040 50 D HN 0.076 nan 8.370 nan 0.000 0.517 51 V N 4.677 124.698 119.914 0.179 0.000 2.617 51 V HA 0.013 4.138 4.120 0.009 0.000 0.304 51 V C 1.019 177.177 176.094 0.106 0.000 1.040 51 V CA -0.082 62.332 62.300 0.190 0.000 1.149 51 V CB 0.390 32.302 31.823 0.149 0.000 0.914 51 V HN 0.508 nan 8.190 nan 0.000 0.487 52 L N 4.146 125.424 121.223 0.091 0.000 2.417 52 L HA 0.301 4.647 4.340 0.009 0.000 0.268 52 L C 0.529 177.398 176.870 -0.001 0.000 1.158 52 L CA 0.135 54.994 54.840 0.032 0.000 0.819 52 L CB 1.271 43.333 42.059 0.005 0.000 1.112 52 L HN 0.643 nan 8.230 nan 0.000 0.458 53 S N 1.326 117.014 115.700 -0.021 0.000 2.516 53 S HA 0.341 4.817 4.470 0.009 0.000 0.268 53 S C 0.514 175.085 174.600 -0.049 0.000 1.251 53 S CA -0.503 57.686 58.200 -0.019 0.000 1.153 53 S CB 1.121 64.317 63.200 -0.007 0.000 1.009 53 S HN 0.832 nan 8.310 nan 0.000 0.479 54 G N 2.343 111.102 108.800 -0.068 0.000 4.098 54 G HA2 0.294 4.260 3.960 0.009 0.000 0.300 54 G HA3 0.294 4.260 3.960 0.009 0.000 0.300 54 G C 0.084 174.941 174.900 -0.071 0.000 1.187 54 G CA -0.511 44.517 45.100 -0.121 0.000 0.964 54 G HN 0.464 nan 8.290 nan 0.000 0.559 55 Q N 0.115 119.920 119.800 0.010 0.000 2.535 55 Q HA 0.293 4.638 4.340 0.009 0.000 0.228 55 Q C 0.209 176.286 176.000 0.128 0.000 1.062 55 Q CA 0.023 55.879 55.803 0.089 0.000 0.967 55 Q CB 0.475 29.257 28.738 0.074 0.000 1.273 55 Q HN 0.306 nan 8.270 nan 0.000 0.554 56 Q N 0.134 120.067 119.800 0.222 0.000 2.269 56 Q HA 0.274 4.620 4.340 0.009 0.000 0.300 56 Q C 0.754 176.837 176.000 0.138 0.000 1.070 56 Q CA 1.623 57.576 55.803 0.250 0.000 0.957 56 Q CB -0.039 28.807 28.738 0.181 0.000 1.131 56 Q HN 0.864 nan 8.270 nan 0.000 0.377 57 G N 1.197 110.075 108.800 0.131 0.000 2.336 57 G HA2 -0.232 3.733 3.960 0.009 0.000 0.194 57 G HA3 -0.232 3.733 3.960 0.009 0.000 0.194 57 G C 1.001 175.929 174.900 0.047 0.000 0.999 57 G CA 0.127 45.273 45.100 0.077 0.000 0.669 57 G HN 0.570 nan 8.290 nan 0.000 0.482 58 T N 1.148 115.717 114.554 0.025 0.000 2.777 58 T HA 0.139 4.494 4.350 0.009 0.000 0.266 58 T C 1.508 176.213 174.700 0.007 0.000 1.040 58 T CA 1.298 63.386 62.100 -0.019 0.000 1.141 58 T CB -0.227 68.588 68.868 -0.089 0.000 0.868 58 T HN 1.234 nan 8.240 nan 0.000 0.444 59 V N 3.108 123.031 119.914 0.016 0.000 5.915 59 V HA -0.176 3.950 4.120 0.009 0.000 0.250 59 V C -0.252 175.891 176.094 0.081 0.000 0.647 59 V CA 0.882 63.213 62.300 0.051 0.000 0.573 59 V CB -1.920 29.948 31.823 0.075 0.000 0.266 59 V HN 0.787 nan 8.190 nan 0.000 0.580 60 H N 1.376 120.375 119.070 -0.119 0.000 3.151 60 H HA 0.298 4.859 4.556 0.009 0.000 0.333 60 H C -1.309 173.907 175.328 -0.188 0.000 1.093 60 H CA -0.736 55.256 56.048 -0.094 0.000 1.342 60 H CB 1.236 30.938 29.762 -0.099 0.000 1.983 60 H HN 0.178 nan 8.280 nan 0.000 0.503 61 F N 3.813 123.394 119.950 -0.616 0.000 2.471 61 F HA 0.034 4.566 4.527 0.008 0.000 0.365 61 F C 1.938 177.497 175.800 -0.402 0.000 1.095 61 F CA 0.804 58.545 58.000 -0.432 0.000 1.174 61 F CB 1.276 40.104 39.000 -0.287 0.000 1.105 61 F HN 0.706 nan 8.300 nan 0.000 0.535 62 T N 4.283 118.538 114.554 -0.498 0.000 2.685 62 T HA -0.308 4.048 4.350 0.009 0.000 0.268 62 T C 1.824 176.136 174.700 -0.647 0.000 1.034 62 T CA 2.079 63.770 62.100 -0.681 0.000 1.149 62 T CB -0.389 67.835 68.868 -1.074 0.000 0.860 62 T HN 0.597 nan 8.240 nan 0.000 0.449 63 Y N 1.380 121.649 120.300 -0.051 0.000 2.483 63 Y HA 0.011 4.566 4.550 0.008 0.000 0.291 63 Y C 2.191 178.172 175.900 0.135 0.000 1.143 63 Y CA 0.707 58.906 58.100 0.165 0.000 1.289 63 Y CB -0.336 38.297 38.460 0.288 0.000 0.983 63 Y HN 0.312 nan 8.280 nan 0.000 0.556 64 D N -0.533 119.971 120.400 0.174 0.000 2.340 64 D HA -0.035 4.611 4.640 0.009 0.000 0.220 64 D C 0.442 176.852 176.300 0.183 0.000 1.039 64 D CA 0.328 54.405 54.000 0.129 0.000 0.866 64 D CB -0.112 40.679 40.800 -0.015 0.000 0.913 64 D HN 0.407 nan 8.370 nan 0.000 0.523 65 Q N 1.105 121.012 119.800 0.178 0.000 2.421 65 Q HA 0.049 4.395 4.340 0.009 0.000 0.255 65 Q C -1.384 174.710 176.000 0.156 0.000 1.013 65 Q CA -1.004 54.888 55.803 0.149 0.000 0.895 65 Q CB 0.888 29.664 28.738 0.063 0.000 1.271 65 Q HN 0.077 nan 8.270 nan 0.000 0.460 66 P HA -0.061 nan 4.420 nan 0.000 0.225 66 P C -0.141 177.221 177.300 0.104 0.000 1.156 66 P CA 0.975 64.135 63.100 0.100 0.000 0.787 66 P CB 0.464 32.205 31.700 0.067 0.000 0.802 67 A N -1.092 121.804 122.820 0.127 0.000 3.365 67 A HA 0.352 4.677 4.320 0.009 0.000 0.258 67 A C -1.128 176.565 177.584 0.182 0.000 0.964 67 A CA -0.451 51.654 52.037 0.115 0.000 0.988 67 A CB -0.482 18.561 19.000 0.072 0.000 1.193 67 A HN 0.075 nan 8.150 nan 0.000 0.508 68 Y N 0.406 120.752 120.300 0.077 0.000 2.360 68 Y HA 0.716 5.272 4.550 0.011 0.000 0.337 68 Y C 0.024 176.009 175.900 0.142 0.000 1.039 68 Y CA -0.260 57.901 58.100 0.102 0.000 1.109 68 Y CB 1.706 40.215 38.460 0.082 0.000 1.201 68 Y HN 0.241 nan 8.280 nan 0.000 0.458 69 T N 7.020 121.299 114.554 -0.458 0.000 2.912 69 T HA 0.598 4.954 4.350 0.009 0.000 0.299 69 T C -1.738 172.724 174.700 -0.397 0.000 1.052 69 T CA -0.784 61.162 62.100 -0.257 0.000 0.996 69 T CB 0.843 69.783 68.868 0.120 0.000 1.070 69 T HN 0.869 nan 8.240 nan 0.000 0.465 70 R N 3.628 124.074 120.500 -0.090 0.000 2.626 70 R HA 0.555 4.900 4.340 0.009 0.000 0.274 70 R C -2.080 174.389 176.300 0.281 0.000 1.031 70 R CA -0.742 55.365 56.100 0.012 0.000 0.898 70 R CB 1.503 31.800 30.300 -0.005 0.000 1.222 70 R HN 0.668 nan 8.270 nan 0.000 0.455 71 F N 4.050 124.036 119.950 0.059 0.000 2.532 71 F HA 0.604 5.137 4.527 0.010 0.000 0.365 71 F C -0.278 175.524 175.800 0.003 0.000 1.112 71 F CA -0.242 57.763 58.000 0.008 0.000 1.082 71 F CB 1.645 40.481 39.000 -0.274 0.000 1.319 71 F HN 0.781 nan 8.300 nan 0.000 0.457 72 G N 2.352 111.407 108.800 0.425 0.000 2.578 72 G HA2 0.396 4.361 3.960 0.009 0.000 0.302 72 G HA3 0.396 4.361 3.960 0.009 0.000 0.302 72 G C -0.566 174.512 174.900 0.297 0.000 1.243 72 G CA -0.270 44.986 45.100 0.260 0.000 0.843 72 G HN 0.726 nan 8.290 nan 0.000 0.486 73 G N 0.077 109.046 108.800 0.281 0.000 2.287 73 G HA2 0.347 4.313 3.960 0.009 0.000 0.235 73 G HA3 0.347 4.313 3.960 0.009 0.000 0.235 73 G C 0.931 176.066 174.900 0.391 0.000 1.258 73 G CA 0.864 46.185 45.100 0.368 0.000 0.884 73 G HN 0.750 nan 8.290 nan 0.000 0.518 74 E N 2.572 123.008 120.200 0.392 0.000 2.435 74 E HA -0.074 4.282 4.350 0.009 0.000 0.195 74 E C 2.004 178.802 176.600 0.330 0.000 1.029 74 E CA 0.209 56.835 56.400 0.378 0.000 0.865 74 E CB -0.050 29.879 29.700 0.382 0.000 0.833 74 E HN 0.690 nan 8.360 nan 0.000 0.510 75 I N 1.614 122.366 120.570 0.304 0.000 2.179 75 I HA -0.168 4.008 4.170 0.009 0.000 0.242 75 I C -0.472 175.761 176.117 0.192 0.000 1.088 75 I CA 1.180 62.602 61.300 0.205 0.000 1.357 75 I CB -1.348 36.701 38.000 0.083 0.000 1.051 75 I HN 0.105 nan 8.210 nan 0.000 0.409 76 P HA -0.091 nan 4.420 nan 0.000 0.215 76 P C -1.292 176.084 177.300 0.127 0.000 1.157 76 P CA 1.820 65.089 63.100 0.282 0.000 0.863 76 P CB -0.994 30.962 31.700 0.427 0.000 0.787 77 P HA -0.083 nan 4.420 nan 0.000 0.217 77 P C 1.519 178.706 177.300 -0.188 0.000 1.150 77 P CA 1.111 64.105 63.100 -0.177 0.000 0.832 77 P CB -0.425 31.395 31.700 0.201 0.000 0.787 78 L N -1.793 119.413 121.223 -0.029 0.000 2.046 78 L HA -0.171 4.175 4.340 0.009 0.000 0.208 78 L C 2.149 178.940 176.870 -0.131 0.000 1.077 78 L CA 1.144 55.913 54.840 -0.118 0.000 0.747 78 L CB -0.838 41.259 42.059 0.063 0.000 0.896 78 L HN -0.021 nan 8.230 nan 0.000 0.432 79 L N -1.052 120.152 121.223 -0.032 0.000 2.093 79 L HA -0.157 4.189 4.340 0.009 0.000 0.208 79 L C 2.766 179.575 176.870 -0.102 0.000 1.085 79 L CA 1.470 56.302 54.840 -0.014 0.000 0.755 79 L CB -0.696 41.417 42.059 0.090 0.000 0.904 79 L HN 0.141 nan 8.230 nan 0.000 0.435 80 S N -1.015 114.598 115.700 -0.146 0.000 2.368 80 S HA -0.151 4.325 4.470 0.009 0.000 0.224 80 S C 1.946 176.370 174.600 -0.294 0.000 1.029 80 S CA 1.130 59.186 58.200 -0.240 0.000 0.988 80 S CB -0.060 62.977 63.200 -0.272 0.000 0.838 80 S HN 0.401 nan 8.310 nan 0.000 0.462 81 E N 0.140 120.107 120.200 -0.389 0.000 2.158 81 E HA 0.054 4.410 4.350 0.009 0.000 0.191 81 E C 2.047 178.447 176.600 -0.335 0.000 0.982 81 E CA 0.960 57.079 56.400 -0.467 0.000 0.823 81 E CB -0.664 28.486 29.700 -0.916 0.000 0.766 81 E HN 0.605 nan 8.360 nan 0.000 0.468 82 G N -0.433 108.207 108.800 -0.266 0.000 2.662 82 G HA2 0.095 4.061 3.960 0.009 0.000 0.212 82 G HA3 0.095 4.061 3.960 0.009 0.000 0.212 82 G C 1.492 176.323 174.900 -0.114 0.000 1.141 82 G CA -0.011 44.989 45.100 -0.166 0.000 0.797 82 G HN 0.097 nan 8.290 nan 0.000 0.531 83 L N -1.742 119.407 121.223 -0.123 0.000 2.691 83 L HA 0.349 4.695 4.340 0.009 0.000 0.185 83 L C 2.494 179.280 176.870 -0.140 0.000 1.081 83 L CA -0.142 54.635 54.840 -0.104 0.000 0.865 83 L CB -0.090 41.923 42.059 -0.077 0.000 1.370 83 L HN 0.010 nan 8.230 nan 0.000 0.488 84 R N 1.080 121.467 120.500 -0.187 0.000 2.064 84 R HA 0.061 4.407 4.340 0.009 0.000 0.228 84 R C 0.306 176.467 176.300 -0.233 0.000 1.144 84 R CA 1.459 57.411 56.100 -0.248 0.000 0.932 84 R CB 0.104 30.160 30.300 -0.408 0.000 0.833 84 R HN 0.264 nan 8.270 nan 0.000 0.429 85 A N 1.349 124.025 122.820 -0.239 0.000 3.005 85 A HA 0.406 4.732 4.320 0.009 0.000 0.308 85 A C -2.642 174.844 177.584 -0.163 0.000 1.173 85 A CA -1.345 50.581 52.037 -0.185 0.000 0.796 85 A CB 1.114 19.998 19.000 -0.192 0.000 1.325 85 A HN 0.129 nan 8.150 nan 0.000 0.467 86 P HA 0.357 nan 4.420 nan 0.000 0.265 86 P C 1.226 178.465 177.300 -0.102 0.000 1.193 86 P CA 2.033 65.041 63.100 -0.153 0.000 0.765 86 P CB 0.945 32.570 31.700 -0.125 0.000 0.823 87 G N 2.821 111.563 108.800 -0.097 0.000 2.195 87 G HA2 -0.264 3.702 3.960 0.009 0.000 0.246 87 G HA3 -0.264 3.702 3.960 0.009 0.000 0.246 87 G C 1.346 176.259 174.900 0.022 0.000 0.984 87 G CA -0.300 44.788 45.100 -0.019 0.000 0.633 87 G HN 0.445 nan 8.290 nan 0.000 0.525 88 R N 0.839 121.344 120.500 0.007 0.000 2.148 88 R HA 0.063 4.409 4.340 0.009 0.000 0.227 88 R C 1.567 177.951 176.300 0.140 0.000 1.103 88 R CA 1.784 57.922 56.100 0.065 0.000 0.983 88 R CB -0.598 29.736 30.300 0.056 0.000 0.874 88 R HN 0.848 nan 8.270 nan 0.000 0.451 89 T N -1.592 113.065 114.554 0.172 0.000 2.901 89 T HA 0.648 5.003 4.350 0.009 0.000 0.293 89 T C -0.389 174.537 174.700 0.376 0.000 1.084 89 T CA -1.035 61.233 62.100 0.281 0.000 1.008 89 T CB 2.795 71.894 68.868 0.386 0.000 1.170 89 T HN -0.207 nan 8.240 nan 0.000 0.509 90 R N 0.675 121.318 120.500 0.238 0.000 2.740 90 R HA 0.586 4.932 4.340 0.009 0.000 0.282 90 R C -1.194 174.971 176.300 -0.225 0.000 0.969 90 R CA -1.129 55.034 56.100 0.104 0.000 0.918 90 R CB 1.600 31.912 30.300 0.021 0.000 1.175 90 R HN 0.717 nan 8.270 nan 0.000 0.464 91 L N 3.484 124.340 121.223 -0.613 0.000 2.260 91 L HA 0.295 4.640 4.340 0.009 0.000 0.289 91 L C 0.442 177.020 176.870 -0.487 0.000 1.057 91 L CA 0.321 54.667 54.840 -0.824 0.000 0.811 91 L CB 0.547 41.791 42.059 -1.359 0.000 1.184 91 L HN 0.691 nan 8.230 nan 0.000 0.429 92 L N 4.696 125.612 121.223 -0.511 0.000 2.354 92 L HA 0.475 4.821 4.340 0.009 0.000 0.212 92 L C 0.999 177.710 176.870 -0.266 0.000 1.091 92 L CA 0.486 55.034 54.840 -0.487 0.000 0.828 92 L CB -0.236 41.202 42.059 -1.036 0.000 0.973 92 L HN 0.828 nan 8.230 nan 0.000 0.461 93 G N -0.283 108.391 108.800 -0.211 0.000 2.368 93 G HA2 0.508 4.473 3.960 0.009 0.000 0.293 93 G HA3 0.508 4.473 3.960 0.009 0.000 0.293 93 G C -1.785 173.087 174.900 -0.047 0.000 1.467 93 G CA -0.570 44.506 45.100 -0.040 0.000 0.804 93 G HN -0.126 nan 8.290 nan 0.000 0.535 94 I N 0.005 120.628 120.570 0.088 0.000 2.689 94 I HA 0.649 4.825 4.170 0.009 0.000 0.299 94 I C -0.533 175.749 176.117 0.275 0.000 1.059 94 I CA -0.784 60.617 61.300 0.169 0.000 1.055 94 I CB 2.943 41.002 38.000 0.099 0.000 1.243 94 I HN 0.396 nan 8.210 nan 0.000 0.425 95 T N 5.038 119.786 114.554 0.322 0.000 3.011 95 T HA 0.375 4.731 4.350 0.009 0.000 0.303 95 T C -2.638 172.127 174.700 0.109 0.000 0.997 95 T CA -1.107 61.098 62.100 0.174 0.000 1.007 95 T CB 2.107 71.002 68.868 0.045 0.000 1.017 95 T HN 0.191 nan 8.240 nan 0.000 0.443 96 P HA 0.384 nan 4.420 nan 0.000 0.271 96 P C -1.140 176.177 177.300 0.028 0.000 1.233 96 P CA -0.697 62.451 63.100 0.080 0.000 0.789 96 P CB 0.523 32.265 31.700 0.070 0.000 0.951 97 L N 2.838 124.107 121.223 0.077 0.000 2.439 97 L HA 0.759 5.105 4.340 0.009 0.000 0.270 97 L C -1.888 175.064 176.870 0.137 0.000 0.972 97 L CA -0.576 54.286 54.840 0.037 0.000 0.836 97 L CB 1.472 43.559 42.059 0.046 0.000 1.255 97 L HN 0.178 nan 8.230 nan 0.000 0.404 98 L N 4.658 125.943 121.223 0.102 0.000 2.641 98 L HA 0.943 5.288 4.340 0.009 0.000 0.261 98 L C -0.625 176.322 176.870 0.128 0.000 0.926 98 L CA 0.767 55.697 54.840 0.150 0.000 0.917 98 L CB 1.786 43.914 42.059 0.116 0.000 1.361 98 L HN 0.825 nan 8.230 nan 0.000 0.417 99 G N 2.372 111.266 108.800 0.157 0.000 2.578 99 G HA2 0.400 4.365 3.960 0.009 0.000 0.302 99 G HA3 0.400 4.365 3.960 0.009 0.000 0.302 99 G C -1.560 173.421 174.900 0.135 0.000 1.243 99 G CA -1.102 44.069 45.100 0.118 0.000 0.843 99 G HN 0.626 nan 8.290 nan 0.000 0.486 100 R N 0.809 121.373 120.500 0.106 0.000 2.485 100 R HA 0.336 4.681 4.340 0.009 0.000 0.304 100 R C -0.047 176.381 176.300 0.213 0.000 0.934 100 R CA 0.733 56.921 56.100 0.147 0.000 1.102 100 R CB -0.297 30.091 30.300 0.146 0.000 0.906 100 R HN 0.656 nan 8.270 nan 0.000 0.407 101 Q N 2.361 122.290 119.800 0.214 0.000 2.386 101 Q HA 0.549 4.894 4.340 0.009 0.000 0.274 101 Q C -1.276 174.809 176.000 0.142 0.000 1.011 101 Q CA -0.184 55.750 55.803 0.219 0.000 0.867 101 Q CB 1.835 30.742 28.738 0.283 0.000 1.409 101 Q HN 0.869 nan 8.270 nan 0.000 0.395 102 G N 1.285 110.137 108.800 0.087 0.000 2.359 102 G HA2 0.206 4.172 3.960 0.009 0.000 0.293 102 G HA3 0.206 4.172 3.960 0.009 0.000 0.293 102 G C -2.072 172.832 174.900 0.007 0.000 1.300 102 G CA -0.954 44.187 45.100 0.067 0.000 0.888 102 G HN 0.347 nan 8.290 nan 0.000 0.541 103 F N 0.814 120.836 119.950 0.119 0.000 2.390 103 F HA 0.625 5.157 4.527 0.010 0.000 0.361 103 F C 0.151 175.985 175.800 0.057 0.000 1.124 103 F CA -0.228 57.876 58.000 0.173 0.000 1.149 103 F CB 0.814 39.895 39.000 0.135 0.000 1.160 103 F HN 0.223 nan 8.300 nan 0.000 0.501 104 F N 3.269 123.270 119.950 0.086 0.000 2.375 104 F HA 0.557 5.090 4.527 0.009 0.000 0.333 104 F C 0.329 176.178 175.800 0.081 0.000 1.104 104 F CA -0.754 57.280 58.000 0.058 0.000 1.149 104 F CB 1.054 40.051 39.000 -0.004 0.000 1.190 104 F HN 0.197 nan 8.300 nan 0.000 0.533 105 V N 0.153 120.190 119.914 0.204 0.000 3.141 105 V HA 0.645 4.770 4.120 0.009 0.000 0.312 105 V C -0.238 175.929 176.094 0.123 0.000 1.157 105 V CA -1.671 60.712 62.300 0.139 0.000 1.041 105 V CB 1.710 33.583 31.823 0.084 0.000 1.071 105 V HN 0.673 nan 8.190 nan 0.000 0.441 106 R N 0.722 121.273 120.500 0.086 0.000 2.679 106 R HA 0.089 4.435 4.340 0.009 0.000 0.268 106 R C 0.886 177.221 176.300 0.058 0.000 1.044 106 R CA 0.489 56.630 56.100 0.068 0.000 1.105 106 R CB 0.207 30.535 30.300 0.047 0.000 0.989 106 R HN 1.005 nan 8.270 nan 0.000 0.447 107 D N 1.517 121.950 120.400 0.054 0.000 2.133 107 D HA -0.187 4.459 4.640 0.009 0.000 0.195 107 D C 0.571 176.889 176.300 0.029 0.000 0.997 107 D CA 1.765 55.791 54.000 0.042 0.000 0.840 107 D CB 0.079 40.902 40.800 0.038 0.000 0.947 107 D HN 0.654 nan 8.370 nan 0.000 0.452 108 D N -0.798 119.618 120.400 0.027 0.000 2.336 108 D HA 0.073 4.719 4.640 0.009 0.000 0.228 108 D C 0.170 176.482 176.300 0.021 0.000 1.120 108 D CA -0.236 53.777 54.000 0.021 0.000 0.839 108 D CB -0.213 40.598 40.800 0.018 0.000 0.932 108 D HN 0.016 nan 8.370 nan 0.000 0.509 109 S N 1.247 116.963 115.700 0.026 0.000 2.572 109 S HA 0.127 4.602 4.470 0.009 0.000 0.279 109 S C -1.047 173.565 174.600 0.019 0.000 1.341 109 S CA -1.053 57.162 58.200 0.026 0.000 1.043 109 S CB 0.938 64.158 63.200 0.034 0.000 0.887 109 S HN 0.036 nan 8.310 nan 0.000 0.516 110 P HA 0.085 nan 4.420 nan 0.000 0.233 110 P C 0.039 177.346 177.300 0.011 0.000 1.167 110 P CA 0.508 63.615 63.100 0.012 0.000 0.770 110 P CB -0.138 31.569 31.700 0.011 0.000 0.837 111 I N 1.467 122.045 120.570 0.014 0.000 2.436 111 I HA 0.041 4.217 4.170 0.009 0.000 0.289 111 I C 1.453 177.574 176.117 0.007 0.000 1.083 111 I CA 0.294 61.601 61.300 0.012 0.000 1.372 111 I CB 0.731 38.741 38.000 0.017 0.000 1.408 111 I HN -0.051 nan 8.210 nan 0.000 0.516 112 T N 1.474 116.029 114.554 0.003 0.000 2.986 112 T HA 0.541 4.896 4.350 0.009 0.000 0.264 112 T C 0.249 174.945 174.700 -0.008 0.000 0.964 112 T CA -0.125 61.972 62.100 -0.004 0.000 0.895 112 T CB 0.575 69.443 68.868 -0.001 0.000 1.163 112 T HN 0.556 nan 8.240 nan 0.000 0.517 113 A N 0.212 123.030 122.820 -0.002 0.000 2.556 113 A HA 0.923 5.248 4.320 0.009 0.000 0.294 113 A C 1.331 178.920 177.584 0.008 0.000 1.091 113 A CA -0.325 51.712 52.037 0.001 0.000 0.704 113 A CB 0.793 19.799 19.000 0.011 0.000 1.300 113 A HN 0.415 nan 8.150 nan 0.000 0.406 114 A N 0.638 123.469 122.820 0.019 0.000 1.948 114 A HA 0.106 4.431 4.320 0.009 0.000 0.220 114 A C 2.248 179.849 177.584 0.027 0.000 1.177 114 A CA 2.825 54.882 52.037 0.034 0.000 0.636 114 A CB -1.006 18.049 19.000 0.092 0.000 0.815 114 A HN 2.046 nan 8.150 nan 0.000 0.449 115 A N -0.093 122.745 122.820 0.030 0.000 2.019 115 A HA -0.170 4.156 4.320 0.009 0.000 0.219 115 A C 1.532 179.122 177.584 0.009 0.000 1.164 115 A CA 1.715 53.763 52.037 0.019 0.000 0.644 115 A CB -0.509 18.502 19.000 0.020 0.000 0.805 115 A HN 0.487 nan 8.150 nan 0.000 0.449 116 D N -0.122 120.283 120.400 0.008 0.000 2.378 116 D HA -0.026 4.619 4.640 0.009 0.000 0.222 116 D C 1.507 177.807 176.300 0.000 0.000 0.980 116 D CA 0.468 54.471 54.000 0.005 0.000 0.907 116 D CB -0.162 40.642 40.800 0.006 0.000 0.899 116 D HN 0.486 nan 8.370 nan 0.000 0.527 117 L N 0.540 121.760 121.223 -0.005 0.000 2.478 117 L HA 0.053 4.399 4.340 0.009 0.000 0.223 117 L C 1.127 177.984 176.870 -0.021 0.000 1.140 117 L CA -0.205 54.624 54.840 -0.018 0.000 0.842 117 L CB -0.271 41.765 42.059 -0.038 0.000 0.953 117 L HN -0.111 nan 8.230 nan 0.000 0.452 118 A N 0.342 123.154 122.820 -0.013 0.000 2.548 118 A HA 0.334 4.659 4.320 0.009 0.000 0.247 118 A C 1.492 179.070 177.584 -0.011 0.000 1.067 118 A CA 0.679 52.708 52.037 -0.013 0.000 0.757 118 A CB -0.377 18.619 19.000 -0.007 0.000 0.996 118 A HN 0.579 nan 8.150 nan 0.000 0.504 119 G N 2.023 110.815 108.800 -0.014 0.000 2.189 119 G HA2 -0.240 3.725 3.960 0.009 0.000 0.267 119 G HA3 -0.240 3.725 3.960 0.009 0.000 0.267 119 G C 0.462 175.357 174.900 -0.008 0.000 0.975 119 G CA 0.569 45.663 45.100 -0.010 0.000 0.644 119 G HN 0.820 nan 8.290 nan 0.000 0.537 120 R N -0.112 120.381 120.500 -0.012 0.000 2.528 120 R HA 0.516 4.862 4.340 0.009 0.000 0.271 120 R C 0.584 176.880 176.300 -0.007 0.000 1.056 120 R CA -0.802 55.295 56.100 -0.006 0.000 1.117 120 R CB 0.406 30.704 30.300 -0.003 0.000 1.085 120 R HN 0.307 nan 8.270 nan 0.000 0.530 121 R N 1.595 122.098 120.500 0.006 0.000 2.210 121 R HA 0.285 4.631 4.340 0.009 0.000 0.338 121 R C -0.171 176.143 176.300 0.023 0.000 1.062 121 R CA -0.240 55.867 56.100 0.011 0.000 0.902 121 R CB 0.447 30.758 30.300 0.018 0.000 1.050 121 R HN 0.288 nan 8.270 nan 0.000 0.461 122 I N 3.050 123.625 120.570 0.008 0.000 2.297 122 I HA 0.184 4.359 4.170 0.009 0.000 0.291 122 I C 1.016 177.182 176.117 0.082 0.000 1.033 122 I CA -0.503 60.811 61.300 0.023 0.000 1.253 122 I CB 0.930 38.865 38.000 -0.107 0.000 1.396 122 I HN 0.618 nan 8.210 nan 0.000 0.476 123 G N 6.600 115.487 108.800 0.145 0.000 2.358 123 G HA2 0.498 4.464 3.960 0.009 0.000 0.273 123 G HA3 0.498 4.464 3.960 0.009 0.000 0.273 123 G C -0.129 174.891 174.900 0.200 0.000 1.215 123 G CA -0.127 45.054 45.100 0.135 0.000 0.910 123 G HN 0.551 nan 8.290 nan 0.000 0.467 124 V N -0.044 119.956 119.914 0.142 0.000 3.114 124 V HA 0.820 4.946 4.120 0.009 0.000 0.308 124 V C 0.273 176.417 176.094 0.083 0.000 1.168 124 V CA -0.782 61.610 62.300 0.153 0.000 1.015 124 V CB 1.264 33.182 31.823 0.158 0.000 1.050 124 V HN 1.030 nan 8.190 nan 0.000 0.433 125 S N 1.548 117.291 115.700 0.072 0.000 2.584 125 S HA 0.523 4.999 4.470 0.009 0.000 0.270 125 S C 1.405 176.017 174.600 0.021 0.000 1.346 125 S CA 0.153 58.376 58.200 0.038 0.000 1.018 125 S CB 1.192 64.412 63.200 0.034 0.000 0.899 125 S HN 2.057 nan 8.310 nan 0.000 0.542 126 A N 2.162 124.986 122.820 0.007 0.000 1.972 126 A HA -0.022 4.304 4.320 0.009 0.000 0.219 126 A C 2.358 179.939 177.584 -0.005 0.000 1.169 126 A CA 1.760 53.797 52.037 -0.000 0.000 0.635 126 A CB -1.443 17.552 19.000 -0.007 0.000 0.810 126 A HN 0.835 nan 8.150 nan 0.000 0.446 127 S N -0.060 115.634 115.700 -0.010 0.000 2.356 127 S HA -0.075 4.401 4.470 0.009 0.000 0.223 127 S C 2.333 176.917 174.600 -0.025 0.000 1.032 127 S CA 1.252 59.440 58.200 -0.020 0.000 1.005 127 S CB -0.494 62.687 63.200 -0.033 0.000 0.867 127 S HN 0.816 nan 8.310 nan 0.000 0.449 128 A N 1.357 124.168 122.820 -0.015 0.000 1.933 128 A HA -0.041 4.285 4.320 0.009 0.000 0.218 128 A C 2.064 179.647 177.584 -0.002 0.000 1.175 128 A CA 1.166 53.199 52.037 -0.006 0.000 0.628 128 A CB -0.724 18.287 19.000 0.019 0.000 0.814 128 A HN 0.493 nan 8.150 nan 0.000 0.444 129 I N -0.880 119.691 120.570 0.000 0.000 2.226 129 I HA -0.285 3.891 4.170 0.009 0.000 0.245 129 I C 2.756 178.862 176.117 -0.018 0.000 1.100 129 I CA 1.400 62.697 61.300 -0.006 0.000 1.374 129 I CB -0.357 37.642 38.000 -0.002 0.000 1.057 129 I HN 0.311 nan 8.210 nan 0.000 0.413 130 R N 0.692 121.177 120.500 -0.024 0.000 2.081 130 R HA -0.130 4.215 4.340 0.009 0.000 0.235 130 R C 2.301 178.566 176.300 -0.059 0.000 1.131 130 R CA 1.424 57.502 56.100 -0.037 0.000 0.960 130 R CB -0.354 29.925 30.300 -0.035 0.000 0.856 130 R HN 0.355 nan 8.270 nan 0.000 0.436 131 I N 0.714 121.247 120.570 -0.060 0.000 2.202 131 I HA -0.262 3.914 4.170 0.009 0.000 0.242 131 I C 2.181 178.265 176.117 -0.055 0.000 1.091 131 I CA 1.221 62.476 61.300 -0.075 0.000 1.368 131 I CB -0.250 37.727 38.000 -0.038 0.000 1.058 131 I HN 0.127 nan 8.210 nan 0.000 0.410 132 L N 0.260 121.468 121.223 -0.026 0.000 2.131 132 L HA -0.158 4.188 4.340 0.009 0.000 0.210 132 L C 2.415 179.266 176.870 -0.032 0.000 1.092 132 L CA 1.346 56.174 54.840 -0.020 0.000 0.759 132 L CB -0.421 41.631 42.059 -0.012 0.000 0.903 132 L HN 0.182 nan 8.230 nan 0.000 0.435 133 R N -0.303 120.176 120.500 -0.035 0.000 2.317 133 R HA 0.134 4.480 4.340 0.009 0.000 0.208 133 R C 1.175 177.449 176.300 -0.044 0.000 0.914 133 R CA 0.574 56.653 56.100 -0.035 0.000 1.060 133 R CB 0.248 30.531 30.300 -0.028 0.000 1.015 133 R HN 0.398 nan 8.270 nan 0.000 0.498 134 G N 1.728 110.492 108.800 -0.060 0.000 2.198 134 G HA2 -0.246 3.720 3.960 0.009 0.000 0.260 134 G HA3 -0.246 3.720 3.960 0.009 0.000 0.260 134 G C -0.128 174.734 174.900 -0.064 0.000 1.025 134 G CA 0.075 45.130 45.100 -0.074 0.000 0.769 134 G HN 0.225 nan 8.290 nan 0.000 0.507 135 Q N -0.332 119.435 119.800 -0.056 0.000 2.644 135 Q HA 0.447 4.793 4.340 0.009 0.000 0.245 135 Q C 1.523 177.498 176.000 -0.041 0.000 1.064 135 Q CA -0.483 55.296 55.803 -0.040 0.000 0.860 135 Q CB 0.710 29.433 28.738 -0.026 0.000 1.145 135 Q HN 0.489 nan 8.270 nan 0.000 0.515 136 L N -0.212 120.980 121.223 -0.052 0.000 2.492 136 L HA 0.036 4.382 4.340 0.009 0.000 0.223 136 L C 1.506 178.399 176.870 0.039 0.000 1.132 136 L CA 0.653 55.468 54.840 -0.041 0.000 0.850 136 L CB -0.330 41.653 42.059 -0.127 0.000 0.966 136 L HN 0.794 nan 8.230 nan 0.000 0.454 137 G N 1.974 110.788 108.800 0.024 0.000 2.699 137 G HA2 -0.414 3.551 3.960 0.009 0.000 0.351 137 G HA3 -0.414 3.551 3.960 0.009 0.000 0.351 137 G C 0.352 175.288 174.900 0.060 0.000 1.191 137 G CA 0.757 45.877 45.100 0.033 0.000 0.953 137 G HN 0.593 nan 8.290 nan 0.000 0.557 138 D N 0.439 120.877 120.400 0.063 0.000 2.741 138 D HA 0.342 4.988 4.640 0.009 0.000 0.233 138 D C 0.548 176.907 176.300 0.099 0.000 1.160 138 D CA -0.255 53.780 54.000 0.060 0.000 1.003 138 D CB 0.547 41.365 40.800 0.030 0.000 1.064 138 D HN 0.495 nan 8.370 nan 0.000 0.503 139 Y N 1.230 121.524 120.300 -0.010 0.000 2.265 139 Y HA 0.154 4.709 4.550 0.009 0.000 0.290 139 Y C 2.043 177.940 175.900 -0.004 0.000 1.137 139 Y CA 0.508 58.603 58.100 -0.007 0.000 1.147 139 Y CB -0.101 38.351 38.460 -0.013 0.000 1.104 139 Y HN 0.040 nan 8.280 nan 0.000 0.514 140 L N 0.389 121.614 121.223 0.002 0.000 2.079 140 L HA -0.210 4.136 4.340 0.009 0.000 0.210 140 L C 1.415 178.219 176.870 -0.111 0.000 1.081 140 L CA 1.832 56.619 54.840 -0.088 0.000 0.752 140 L CB -0.456 41.619 42.059 0.027 0.000 0.896 140 L HN 0.330 nan 8.230 nan 0.000 0.433 141 E N -0.247 119.917 120.200 -0.061 0.000 2.437 141 E HA 0.073 4.428 4.350 0.009 0.000 0.189 141 E C -0.118 176.446 176.600 -0.059 0.000 1.054 141 E CA -0.326 56.044 56.400 -0.050 0.000 0.874 141 E CB 0.423 30.111 29.700 -0.021 0.000 1.011 141 E HN 0.141 nan 8.360 nan 0.000 0.474 142 L N 2.234 123.395 121.223 -0.103 0.000 2.379 142 L HA 0.141 4.487 4.340 0.009 0.000 0.269 142 L C -0.057 176.759 176.870 -0.090 0.000 1.084 142 L CA -0.714 54.073 54.840 -0.087 0.000 0.802 142 L CB 0.882 42.879 42.059 -0.103 0.000 1.175 142 L HN -0.046 nan 8.230 nan 0.000 0.448 143 D N 2.926 123.310 120.400 -0.027 0.000 2.362 143 D HA 0.119 4.765 4.640 0.009 0.000 0.242 143 D C -2.135 174.197 176.300 0.053 0.000 1.132 143 D CA -1.664 52.347 54.000 0.018 0.000 0.907 143 D CB 0.174 41.017 40.800 0.072 0.000 1.195 143 D HN 0.297 nan 8.370 nan 0.000 0.429 144 P HA -0.185 nan 4.420 nan 0.000 0.217 144 P C 1.058 178.625 177.300 0.446 0.000 1.162 144 P CA 1.426 64.640 63.100 0.190 0.000 0.901 144 P CB -0.102 31.665 31.700 0.112 0.000 0.793 145 W N 0.531 122.006 121.300 0.291 0.000 2.388 145 W HA -0.050 4.616 4.660 0.011 0.000 0.294 145 W C 2.464 179.035 176.519 0.087 0.000 1.212 145 W CA 1.067 58.508 57.345 0.159 0.000 1.271 145 W CB -0.876 28.609 29.460 0.042 0.000 1.126 145 W HN -0.151 nan 8.180 nan 0.000 0.535 146 R N -0.020 120.571 120.500 0.151 0.000 2.119 146 R HA -0.119 4.227 4.340 0.009 0.000 0.222 146 R C 2.255 178.583 176.300 0.046 0.000 1.088 146 R CA 1.416 57.510 56.100 -0.011 0.000 0.984 146 R CB -0.294 29.990 30.300 -0.027 0.000 0.884 146 R HN 0.230 nan 8.270 nan 0.000 0.447 147 Q N -0.764 119.064 119.800 0.047 0.000 2.084 147 Q HA -0.124 4.222 4.340 0.009 0.000 0.202 147 Q C 1.835 177.953 176.000 0.195 0.000 0.978 147 Q CA 2.065 57.866 55.803 -0.003 0.000 0.844 147 Q CB 0.034 28.604 28.738 -0.279 0.000 0.898 147 Q HN 0.326 nan 8.270 nan 0.000 0.426 148 T N 1.565 116.247 114.554 0.213 0.000 2.746 148 T HA -0.099 4.256 4.350 0.009 0.000 0.267 148 T C 1.875 176.662 174.700 0.145 0.000 1.039 148 T CA 0.861 63.103 62.100 0.238 0.000 1.142 148 T CB -0.194 68.898 68.868 0.374 0.000 0.866 148 T HN 0.183 nan 8.240 nan 0.000 0.444 149 L N 0.727 122.006 121.223 0.093 0.000 2.131 149 L HA -0.087 4.259 4.340 0.009 0.000 0.210 149 L C 2.610 179.478 176.870 -0.004 0.000 1.092 149 L CA 0.808 55.647 54.840 -0.003 0.000 0.759 149 L CB -0.676 41.312 42.059 -0.118 0.000 0.903 149 L HN 0.165 nan 8.230 nan 0.000 0.435 150 V N 0.009 119.959 119.914 0.060 0.000 2.307 150 V HA -0.233 3.893 4.120 0.009 0.000 0.245 150 V C 2.731 178.831 176.094 0.010 0.000 1.045 150 V CA 1.744 64.083 62.300 0.064 0.000 1.024 150 V CB -0.742 31.198 31.823 0.196 0.000 0.651 150 V HN 0.467 nan 8.190 nan 0.000 0.449 151 A N -0.368 122.491 122.820 0.066 0.000 2.019 151 A HA -0.122 4.204 4.320 0.009 0.000 0.219 151 A C 2.109 179.588 177.584 -0.174 0.000 1.164 151 A CA 1.422 53.454 52.037 -0.007 0.000 0.644 151 A CB -0.566 18.490 19.000 0.094 0.000 0.805 151 A HN 0.530 nan 8.150 nan 0.000 0.449 152 L N -0.553 120.519 121.223 -0.252 0.000 2.549 152 L HA -0.072 4.273 4.340 0.009 0.000 0.229 152 L C 2.378 178.883 176.870 -0.609 0.000 1.158 152 L CA 0.492 54.953 54.840 -0.631 0.000 0.842 152 L CB -0.420 41.345 42.059 -0.490 0.000 0.952 152 L HN 0.497 nan 8.230 nan 0.000 0.452 153 G N -1.317 107.311 108.800 -0.287 0.000 2.679 153 G HA2 -0.132 3.834 3.960 0.009 0.000 0.212 153 G HA3 -0.132 3.834 3.960 0.009 0.000 0.212 153 G C 1.596 176.386 174.900 -0.182 0.000 1.137 153 G CA 0.404 45.398 45.100 -0.175 0.000 0.787 153 G HN 0.308 nan 8.290 nan 0.000 0.534 154 S N 0.167 115.713 115.700 -0.257 0.000 2.382 154 S HA -0.108 4.367 4.470 0.009 0.000 0.228 154 S C 1.968 176.401 174.600 -0.278 0.000 1.027 154 S CA 0.846 58.952 58.200 -0.156 0.000 0.991 154 S CB -0.230 62.910 63.200 -0.100 0.000 0.823 154 S HN 0.616 nan 8.310 nan 0.000 0.469 155 W N 1.946 123.025 121.300 -0.367 0.000 2.333 155 W HA -0.082 4.583 4.660 0.008 0.000 0.316 155 W C 2.236 178.202 176.519 -0.922 0.000 1.215 155 W CA 0.751 57.697 57.345 -0.665 0.000 1.278 155 W CB -1.332 27.605 29.460 -0.872 0.000 1.154 155 W HN 0.478 nan 8.180 nan 0.000 0.486 156 E N 0.141 119.999 120.200 -0.569 0.000 2.072 156 E HA -0.098 4.258 4.350 0.009 0.000 0.191 156 E C 2.419 178.952 176.600 -0.111 0.000 0.985 156 E CA 1.356 57.444 56.400 -0.519 0.000 0.801 156 E CB -0.500 29.113 29.700 -0.144 0.000 0.750 156 E HN 0.101 nan 8.360 nan 0.000 0.452 157 A N 1.606 124.382 122.820 -0.075 0.000 1.865 157 A HA -0.233 4.093 4.320 0.009 0.000 0.217 157 A C 2.141 179.729 177.584 0.007 0.000 1.191 157 A CA 1.748 53.803 52.037 0.029 0.000 0.623 157 A CB -0.494 18.580 19.000 0.124 0.000 0.826 157 A HN 0.079 nan 8.150 nan 0.000 0.444 158 R N -0.635 119.770 120.500 -0.157 0.000 2.092 158 R HA -0.056 4.290 4.340 0.009 0.000 0.231 158 R C 2.316 178.393 176.300 -0.372 0.000 1.119 158 R CA 1.287 57.171 56.100 -0.360 0.000 0.970 158 R CB -0.372 29.458 30.300 -0.784 0.000 0.864 158 R HN 0.462 nan 8.270 nan 0.000 0.440 159 A N 0.902 123.611 122.820 -0.185 0.000 1.933 159 A HA -0.165 4.160 4.320 0.009 0.000 0.218 159 A C 1.983 179.733 177.584 0.278 0.000 1.175 159 A CA 1.129 53.205 52.037 0.065 0.000 0.628 159 A CB -0.497 18.539 19.000 0.059 0.000 0.814 159 A HN 0.366 nan 8.150 nan 0.000 0.444 160 L N -0.301 121.089 121.223 0.277 0.000 2.056 160 L HA -0.038 4.308 4.340 0.009 0.000 0.207 160 L C 2.282 179.166 176.870 0.023 0.000 1.078 160 L CA 1.500 56.364 54.840 0.039 0.000 0.749 160 L CB -0.471 41.483 42.059 -0.174 0.000 0.901 160 L HN 0.400 nan 8.230 nan 0.000 0.433 161 L N -1.250 119.993 121.223 0.033 0.000 2.017 161 L HA -0.274 4.071 4.340 0.009 0.000 0.208 161 L C 2.522 179.504 176.870 0.186 0.000 1.073 161 L CA 1.709 56.593 54.840 0.074 0.000 0.745 161 L CB -0.871 41.235 42.059 0.078 0.000 0.894 161 L HN 0.423 nan 8.230 nan 0.000 0.432 162 H N -1.225 117.915 119.070 0.116 0.000 2.353 162 H HA -0.137 4.425 4.556 0.009 0.000 0.300 162 H C 2.322 177.775 175.328 0.208 0.000 1.090 162 H CA 1.335 57.466 56.048 0.138 0.000 1.327 162 H CB 0.080 29.927 29.762 0.141 0.000 1.383 162 H HN 0.297 nan 8.280 nan 0.000 0.508 163 T N 1.136 115.882 114.554 0.319 0.000 2.708 163 T HA -0.108 4.248 4.350 0.009 0.000 0.266 163 T C 2.150 176.969 174.700 0.198 0.000 1.037 163 T CA 0.813 63.066 62.100 0.254 0.000 1.146 163 T CB -0.231 68.751 68.868 0.191 0.000 0.865 163 T HN 0.217 nan 8.240 nan 0.000 0.435 164 L N 0.813 122.103 121.223 0.111 0.000 2.191 164 L HA -0.082 4.263 4.340 0.009 0.000 0.212 164 L C 2.619 179.535 176.870 0.078 0.000 1.103 164 L CA 1.220 56.098 54.840 0.062 0.000 0.769 164 L CB -0.643 41.423 42.059 0.012 0.000 0.908 164 L HN 0.375 nan 8.230 nan 0.000 0.438 165 E N -0.718 119.539 120.200 0.094 0.000 2.153 165 E HA -0.216 4.140 4.350 0.009 0.000 0.194 165 E C 1.962 178.538 176.600 -0.040 0.000 0.988 165 E CA 0.822 57.230 56.400 0.013 0.000 0.811 165 E CB -0.095 29.591 29.700 -0.024 0.000 0.746 165 E HN 0.600 nan 8.360 nan 0.000 0.466 166 H N -0.909 118.178 119.070 0.029 0.000 2.491 166 H HA -0.013 4.549 4.556 0.009 0.000 0.290 166 H C 1.768 177.103 175.328 0.011 0.000 1.050 166 H CA 1.247 57.306 56.048 0.019 0.000 1.309 166 H CB 0.273 30.049 29.762 0.024 0.000 1.392 166 H HN 0.193 nan 8.280 nan 0.000 0.554 167 G N -0.263 108.602 108.800 0.108 0.000 3.453 167 G HA2 0.088 4.053 3.960 0.009 0.000 0.263 167 G HA3 0.088 4.053 3.960 0.009 0.000 0.263 167 G C 0.015 174.932 174.900 0.029 0.000 1.060 167 G CA -0.312 44.823 45.100 0.059 0.000 0.793 167 G HN 0.268 nan 8.290 nan 0.000 0.532 168 E N -0.532 119.679 120.200 0.018 0.000 2.360 168 E HA -0.170 4.186 4.350 0.009 0.000 0.238 168 E C -0.228 176.376 176.600 0.006 0.000 1.186 168 E CA 0.196 56.599 56.400 0.004 0.000 0.719 168 E CB -1.418 28.282 29.700 0.001 0.000 1.236 168 E HN 0.412 nan 8.360 nan 0.000 0.386 169 L N -0.441 120.788 121.223 0.009 0.000 2.322 169 L HA 0.752 5.097 4.340 0.009 0.000 0.269 169 L C 0.959 177.828 176.870 -0.001 0.000 1.012 169 L CA -0.663 54.178 54.840 0.002 0.000 0.815 169 L CB 1.692 43.750 42.059 -0.003 0.000 1.295 169 L HN 0.099 nan 8.230 nan 0.000 0.438 170 G N -0.224 108.572 108.800 -0.008 0.000 2.568 170 G HA2 0.466 4.431 3.960 0.009 0.000 0.313 170 G HA3 0.466 4.431 3.960 0.009 0.000 0.313 170 G C 0.669 175.557 174.900 -0.020 0.000 1.227 170 G CA -0.524 44.570 45.100 -0.009 0.000 0.979 170 G HN 0.341 nan 8.290 nan 0.000 0.486 171 V N 0.497 120.398 119.914 -0.022 0.000 2.469 171 V HA -0.151 3.974 4.120 0.009 0.000 0.251 171 V C 2.147 178.223 176.094 -0.030 0.000 1.064 171 V CA 2.083 64.364 62.300 -0.032 0.000 1.066 171 V CB -0.313 31.493 31.823 -0.028 0.000 0.667 171 V HN 0.644 nan 8.190 nan 0.000 0.461 172 D N -0.121 120.266 120.400 -0.023 0.000 2.371 172 D HA -0.097 4.548 4.640 0.009 0.000 0.221 172 D C 1.363 177.652 176.300 -0.019 0.000 0.986 172 D CA 0.763 54.751 54.000 -0.020 0.000 0.899 172 D CB -0.111 40.680 40.800 -0.016 0.000 0.902 172 D HN 0.494 nan 8.370 nan 0.000 0.530 173 D N 0.398 120.786 120.400 -0.022 0.000 2.339 173 D HA -0.003 4.643 4.640 0.009 0.000 0.217 173 D C 0.959 177.243 176.300 -0.025 0.000 1.050 173 D CA 0.210 54.199 54.000 -0.020 0.000 0.856 173 D CB 1.064 41.854 40.800 -0.017 0.000 0.922 173 D HN 0.151 nan 8.370 nan 0.000 0.518 174 V N -2.187 117.707 119.914 -0.034 0.000 3.126 174 V HA 0.488 4.614 4.120 0.009 0.000 0.314 174 V C -0.430 175.644 176.094 -0.034 0.000 1.138 174 V CA -1.104 61.172 62.300 -0.041 0.000 1.034 174 V CB 2.765 34.546 31.823 -0.070 0.000 1.075 174 V HN -0.214 nan 8.190 nan 0.000 0.442 175 E N 1.590 121.772 120.200 -0.029 0.000 2.081 175 E HA 0.489 4.845 4.350 0.009 0.000 0.276 175 E C -1.180 175.409 176.600 -0.019 0.000 0.950 175 E CA -0.634 55.754 56.400 -0.019 0.000 0.776 175 E CB 1.223 30.917 29.700 -0.010 0.000 1.094 175 E HN 0.733 nan 8.360 nan 0.000 0.402 176 L N 4.820 126.033 121.223 -0.017 0.000 2.281 176 L HA 0.305 4.650 4.340 0.009 0.000 0.285 176 L C -0.562 176.311 176.870 0.005 0.000 1.074 176 L CA -0.718 54.117 54.840 -0.009 0.000 0.817 176 L CB 1.106 43.158 42.059 -0.011 0.000 1.168 176 L HN 0.329 nan 8.230 nan 0.000 0.434 177 V N 5.176 125.101 119.914 0.019 0.000 2.384 177 V HA 0.315 4.441 4.120 0.009 0.000 0.287 177 V C -2.181 173.930 176.094 0.029 0.000 1.020 177 V CA -1.944 60.369 62.300 0.021 0.000 0.850 177 V CB 1.686 33.524 31.823 0.024 0.000 0.987 177 V HN 0.588 nan 8.190 nan 0.000 0.436 178 P HA 0.340 nan 4.420 nan 0.000 0.267 178 P C -0.458 176.853 177.300 0.019 0.000 1.209 178 P CA 0.322 63.433 63.100 0.019 0.000 0.763 178 P CB 0.407 32.112 31.700 0.008 0.000 0.816 179 I N -1.278 119.307 120.570 0.024 0.000 3.354 179 I HA 0.630 4.806 4.170 0.009 0.000 0.316 179 I C -0.773 175.350 176.117 0.009 0.000 1.182 179 I CA -1.235 60.075 61.300 0.016 0.000 0.942 179 I CB 2.230 40.245 38.000 0.026 0.000 1.299 179 I HN 0.037 nan 8.210 nan 0.000 0.473 180 S N 1.547 117.243 115.700 -0.008 0.000 2.452 180 S HA 0.457 4.933 4.470 0.009 0.000 0.284 180 S C -0.453 174.133 174.600 -0.024 0.000 1.171 180 S CA -0.257 57.932 58.200 -0.018 0.000 1.064 180 S CB 0.449 63.628 63.200 -0.035 0.000 0.967 180 S HN 0.664 nan 8.310 nan 0.000 0.484 181 S N 5.805 121.507 115.700 0.003 0.000 2.454 181 S HA 0.599 5.075 4.470 0.009 0.000 0.306 181 S C -2.679 171.929 174.600 0.014 0.000 1.100 181 S CA -1.878 56.332 58.200 0.017 0.000 1.087 181 S CB 0.976 64.239 63.200 0.104 0.000 1.019 181 S HN 0.670 nan 8.310 nan 0.000 0.480 182 P HA 0.186 nan 4.420 nan 0.000 0.264 182 P C 0.851 178.276 177.300 0.208 0.000 1.193 182 P CA 0.956 63.955 63.100 -0.168 0.000 0.763 182 P CB 0.433 31.608 31.700 -0.875 0.000 0.810 183 G N 1.805 110.784 108.800 0.298 0.000 2.225 183 G HA2 -0.276 3.689 3.960 0.009 0.000 0.254 183 G HA3 -0.276 3.689 3.960 0.009 0.000 0.254 183 G C 0.573 175.719 174.900 0.410 0.000 0.988 183 G CA 0.269 45.666 45.100 0.496 0.000 0.625 183 G HN 0.415 nan 8.290 nan 0.000 0.527 184 V N 0.174 120.252 119.914 0.274 0.000 2.735 184 V HA 0.165 4.290 4.120 0.009 0.000 0.234 184 V C 2.124 178.248 176.094 0.051 0.000 1.121 184 V CA 1.731 64.112 62.300 0.134 0.000 1.160 184 V CB -0.279 31.609 31.823 0.110 0.000 0.908 184 V HN 0.225 nan 8.190 nan 0.000 0.495 185 D N 0.389 120.811 120.400 0.036 0.000 2.213 185 D HA 0.023 4.669 4.640 0.009 0.000 0.205 185 D C 0.608 176.901 176.300 -0.012 0.000 0.961 185 D CA 1.063 55.056 54.000 -0.011 0.000 0.853 185 D CB 0.593 41.385 40.800 -0.012 0.000 0.967 185 D HN 0.251 nan 8.370 nan 0.000 0.496 186 V N 4.849 124.778 119.914 0.025 0.000 2.259 186 V HA 0.173 4.298 4.120 0.009 0.000 0.267 186 V C -2.094 174.065 176.094 0.109 0.000 1.051 186 V CA -1.533 60.790 62.300 0.040 0.000 0.830 186 V CB 1.145 32.979 31.823 0.019 0.000 1.080 186 V HN -0.025 nan 8.190 nan 0.000 0.467 187 P HA -0.029 nan 4.420 nan 0.000 0.267 187 P C 0.880 178.331 177.300 0.253 0.000 1.195 187 P CA 0.286 63.519 63.100 0.222 0.000 0.773 187 P CB 1.108 32.986 31.700 0.296 0.000 0.837 188 A N 2.672 125.668 122.820 0.292 0.000 2.024 188 A HA -0.215 4.111 4.320 0.009 0.000 0.220 188 A C 1.880 179.580 177.584 0.193 0.000 1.164 188 A CA 1.710 53.904 52.037 0.261 0.000 0.643 188 A CB -1.114 18.042 19.000 0.260 0.000 0.806 188 A HN 0.543 nan 8.150 nan 0.000 0.451 189 E N -0.260 120.054 120.200 0.190 0.000 2.401 189 E HA -0.139 4.217 4.350 0.009 0.000 0.199 189 E C 1.644 178.320 176.600 0.127 0.000 1.023 189 E CA 1.093 57.570 56.400 0.128 0.000 0.859 189 E CB -0.110 29.668 29.700 0.130 0.000 0.780 189 E HN 0.782 nan 8.360 nan 0.000 0.523 190 Q N -0.981 118.909 119.800 0.151 0.000 2.189 190 Q HA 0.268 4.613 4.340 0.009 0.000 0.223 190 Q C 0.862 176.940 176.000 0.131 0.000 0.828 190 Q CA -0.005 55.872 55.803 0.123 0.000 0.967 190 Q CB 0.838 29.643 28.738 0.111 0.000 1.139 190 Q HN 0.248 nan 8.270 nan 0.000 0.497 191 L N -0.231 121.093 121.223 0.170 0.000 2.966 191 L HA 0.310 4.656 4.340 0.009 0.000 0.262 191 L C -0.038 176.967 176.870 0.224 0.000 1.165 191 L CA 0.208 55.182 54.840 0.223 0.000 0.978 191 L CB 0.816 43.062 42.059 0.313 0.000 1.337 191 L HN 0.039 nan 8.230 nan 0.000 0.563 192 E N 0.834 121.124 120.200 0.150 0.000 2.221 192 E HA 0.222 4.577 4.350 0.009 0.000 0.268 192 E C -0.604 176.033 176.600 0.061 0.000 0.933 192 E CA -0.728 55.728 56.400 0.093 0.000 0.809 192 E CB 1.995 31.726 29.700 0.051 0.000 1.190 192 E HN 0.023 nan 8.360 nan 0.000 0.406 193 E N 1.398 121.620 120.200 0.037 0.000 2.568 193 E HA -0.042 4.313 4.350 0.009 0.000 0.262 193 E C -0.671 175.949 176.600 0.035 0.000 0.961 193 E CA 0.195 56.617 56.400 0.037 0.000 0.945 193 E CB 0.487 30.207 29.700 0.033 0.000 0.924 193 E HN 0.505 nan 8.360 nan 0.000 0.467 194 S N 2.668 118.391 115.700 0.038 0.000 2.841 194 S HA 0.626 5.101 4.470 0.009 0.000 0.318 194 S C 0.789 175.409 174.600 0.033 0.000 1.127 194 S CA -0.320 57.900 58.200 0.033 0.000 0.883 194 S CB 1.166 64.385 63.200 0.031 0.000 1.271 194 S HN 0.604 nan 8.310 nan 0.000 0.567 195 A N 0.425 123.261 122.820 0.027 0.000 2.067 195 A HA 0.105 4.431 4.320 0.009 0.000 0.219 195 A C 1.893 179.489 177.584 0.021 0.000 1.158 195 A CA 1.919 53.970 52.037 0.024 0.000 0.661 195 A CB -1.263 17.747 19.000 0.017 0.000 0.801 195 A HN 1.277 nan 8.150 nan 0.000 0.452 196 T N -5.240 109.327 114.554 0.021 0.000 3.016 196 T HA 0.440 4.795 4.350 0.009 0.000 0.271 196 T C -0.051 174.663 174.700 0.023 0.000 0.968 196 T CA 0.189 62.300 62.100 0.019 0.000 0.891 196 T CB 0.163 69.041 68.868 0.017 0.000 1.149 196 T HN 0.011 nan 8.240 nan 0.000 0.524 197 V N 2.064 121.995 119.914 0.028 0.000 2.487 197 V HA 0.468 4.594 4.120 0.009 0.000 0.298 197 V C -0.366 175.750 176.094 0.036 0.000 1.028 197 V CA -1.234 61.086 62.300 0.033 0.000 0.860 197 V CB 1.978 33.825 31.823 0.040 0.000 0.991 197 V HN 0.249 nan 8.190 nan 0.000 0.427 198 K N 2.445 122.866 120.400 0.034 0.000 2.154 198 K HA 0.374 4.700 4.320 0.009 0.000 0.264 198 K C 1.391 178.019 176.600 0.045 0.000 1.008 198 K CA 0.193 56.500 56.287 0.032 0.000 0.937 198 K CB 1.187 33.701 32.500 0.023 0.000 1.002 198 K HN 0.856 nan 8.250 nan 0.000 0.469 199 G N 1.191 110.013 108.800 0.037 0.000 2.432 199 G HA2 -0.265 3.701 3.960 0.009 0.000 0.219 199 G HA3 -0.265 3.701 3.960 0.009 0.000 0.219 199 G C 1.331 176.281 174.900 0.085 0.000 1.135 199 G CA 0.962 46.095 45.100 0.055 0.000 0.767 199 G HN 0.666 nan 8.290 nan 0.000 0.550 200 A N 0.423 123.272 122.820 0.048 0.000 2.172 200 A HA 0.037 4.363 4.320 0.009 0.000 0.216 200 A C 1.678 179.314 177.584 0.086 0.000 1.154 200 A CA 1.547 53.621 52.037 0.062 0.000 0.701 200 A CB -0.065 18.951 19.000 0.027 0.000 0.789 200 A HN 0.277 nan 8.150 nan 0.000 0.465 201 D N -1.110 119.338 120.400 0.080 0.000 2.363 201 D HA 0.282 4.927 4.640 0.009 0.000 0.214 201 D C 1.075 177.428 176.300 0.088 0.000 1.093 201 D CA 0.261 54.304 54.000 0.072 0.000 0.837 201 D CB 0.578 41.408 40.800 0.050 0.000 0.948 201 D HN 0.472 nan 8.370 nan 0.000 0.507 202 L N -1.569 119.734 121.223 0.133 0.000 2.815 202 L HA 0.142 4.488 4.340 0.009 0.000 0.241 202 L C 1.717 178.715 176.870 0.214 0.000 1.047 202 L CA -0.068 54.859 54.840 0.145 0.000 0.939 202 L CB 0.066 42.212 42.059 0.145 0.000 1.490 202 L HN -0.130 nan 8.230 nan 0.000 0.510 203 F N 2.910 122.940 119.950 0.134 0.000 2.084 203 F HA -0.032 4.501 4.527 0.010 0.000 0.296 203 F C -0.622 175.356 175.800 0.297 0.000 1.111 203 F CA 1.668 59.818 58.000 0.251 0.000 1.224 203 F CB -0.973 38.084 39.000 0.094 0.000 0.991 203 F HN -0.047 nan 8.300 nan 0.000 0.471 204 P HA -0.187 nan 4.420 nan 0.000 0.216 204 P C 1.129 178.453 177.300 0.039 0.000 1.153 204 P CA 2.090 65.297 63.100 0.178 0.000 0.858 204 P CB -0.147 31.640 31.700 0.145 0.000 0.789 205 D N -0.745 119.665 120.400 0.017 0.000 2.190 205 D HA -0.123 4.523 4.640 0.009 0.000 0.200 205 D C 1.933 178.146 176.300 -0.144 0.000 0.992 205 D CA 1.099 55.072 54.000 -0.045 0.000 0.854 205 D CB -0.461 40.324 40.800 -0.026 0.000 0.936 205 D HN 0.043 nan 8.370 nan 0.000 0.462 206 V N 1.862 121.625 119.914 -0.252 0.000 2.255 206 V HA -0.284 3.842 4.120 0.009 0.000 0.247 206 V C 2.690 178.485 176.094 -0.498 0.000 1.051 206 V CA 2.010 63.984 62.300 -0.544 0.000 1.018 206 V CB -0.834 30.252 31.823 -1.229 0.000 0.641 206 V HN 0.201 nan 8.190 nan 0.000 0.445 207 A N -0.334 122.268 122.820 -0.362 0.000 1.933 207 A HA -0.257 4.069 4.320 0.009 0.000 0.218 207 A C 2.412 179.892 177.584 -0.172 0.000 1.175 207 A CA 2.041 53.939 52.037 -0.232 0.000 0.628 207 A CB -0.585 18.366 19.000 -0.081 0.000 0.814 207 A HN 0.492 nan 8.150 nan 0.000 0.444 208 R N -0.664 119.758 120.500 -0.129 0.000 2.096 208 R HA -0.099 4.247 4.340 0.009 0.000 0.235 208 R C 2.239 178.475 176.300 -0.106 0.000 1.127 208 R CA 1.425 57.470 56.100 -0.092 0.000 0.968 208 R CB -0.571 29.692 30.300 -0.062 0.000 0.861 208 R HN 0.475 nan 8.270 nan 0.000 0.440 209 G N 0.066 108.781 108.800 -0.142 0.000 2.402 209 G HA2 -0.254 3.711 3.960 0.009 0.000 0.216 209 G HA3 -0.254 3.711 3.960 0.009 0.000 0.216 209 G C 1.193 176.010 174.900 -0.138 0.000 1.162 209 G CA 0.336 45.355 45.100 -0.135 0.000 0.777 209 G HN 0.386 nan 8.290 nan 0.000 0.539 210 Q N 0.225 119.912 119.800 -0.188 0.000 2.119 210 Q HA 0.029 4.374 4.340 0.009 0.000 0.201 210 Q C 2.983 178.914 176.000 -0.114 0.000 0.972 210 Q CA 1.130 56.831 55.803 -0.169 0.000 0.847 210 Q CB -0.238 28.353 28.738 -0.245 0.000 0.903 210 Q HN 0.473 nan 8.270 nan 0.000 0.433 211 A N 1.204 123.957 122.820 -0.112 0.000 1.933 211 A HA -0.091 4.234 4.320 0.009 0.000 0.218 211 A C 2.301 179.858 177.584 -0.046 0.000 1.175 211 A CA 1.512 53.506 52.037 -0.071 0.000 0.628 211 A CB -0.664 18.296 19.000 -0.067 0.000 0.814 211 A HN 0.386 nan 8.150 nan 0.000 0.444 212 A N -0.611 122.177 122.820 -0.053 0.000 1.930 212 A HA 0.039 4.365 4.320 0.009 0.000 0.217 212 A C 2.217 179.784 177.584 -0.028 0.000 1.175 212 A CA 1.683 53.697 52.037 -0.037 0.000 0.627 212 A CB -0.814 18.161 19.000 -0.042 0.000 0.815 212 A HN 0.350 nan 8.150 nan 0.000 0.443 213 V N 0.109 120.001 119.914 -0.036 0.000 2.307 213 V HA -0.238 3.888 4.120 0.009 0.000 0.245 213 V C 2.561 178.653 176.094 -0.002 0.000 1.045 213 V CA 1.904 64.192 62.300 -0.020 0.000 1.024 213 V CB -0.701 31.106 31.823 -0.026 0.000 0.651 213 V HN 0.567 nan 8.190 nan 0.000 0.449 214 L N -0.005 121.218 121.223 0.000 0.000 2.056 214 L HA -0.140 4.206 4.340 0.009 0.000 0.207 214 L C 2.710 179.590 176.870 0.018 0.000 1.078 214 L CA 1.508 56.361 54.840 0.022 0.000 0.749 214 L CB -0.772 41.307 42.059 0.034 0.000 0.901 214 L HN 0.373 nan 8.230 nan 0.000 0.433 215 A N 0.101 122.924 122.820 0.006 0.000 1.972 215 A HA -0.211 4.115 4.320 0.009 0.000 0.219 215 A C 2.485 180.072 177.584 0.005 0.000 1.169 215 A CA 1.858 53.898 52.037 0.005 0.000 0.635 215 A CB -0.601 18.398 19.000 -0.002 0.000 0.810 215 A HN 0.535 nan 8.150 nan 0.000 0.446 216 S N -1.433 114.269 115.700 0.003 0.000 2.474 216 S HA 0.249 4.725 4.470 0.009 0.000 0.235 216 S C 1.638 176.242 174.600 0.008 0.000 0.997 216 S CA 1.276 59.478 58.200 0.003 0.000 0.949 216 S CB -0.744 62.456 63.200 -0.001 0.000 0.766 216 S HN 1.963 nan 8.310 nan 0.000 0.517 217 G N 1.154 109.962 108.800 0.013 0.000 2.166 217 G HA2 -0.359 3.607 3.960 0.009 0.000 0.260 217 G HA3 -0.359 3.607 3.960 0.009 0.000 0.260 217 G C 0.365 175.275 174.900 0.017 0.000 0.986 217 G CA 0.646 45.756 45.100 0.017 0.000 0.683 217 G HN 0.607 nan 8.290 nan 0.000 0.527 218 D N -0.631 119.778 120.400 0.015 0.000 2.269 218 D HA 0.195 4.841 4.640 0.009 0.000 0.208 218 D C 1.396 177.708 176.300 0.020 0.000 0.963 218 D CA 1.741 55.750 54.000 0.014 0.000 0.864 218 D CB 0.200 41.006 40.800 0.009 0.000 0.936 218 D HN 1.062 nan 8.370 nan 0.000 0.505 219 V N -3.633 116.298 119.914 0.029 0.000 3.130 219 V HA 0.433 4.559 4.120 0.009 0.000 0.310 219 V C 0.164 176.287 176.094 0.049 0.000 1.158 219 V CA -0.839 61.486 62.300 0.040 0.000 1.029 219 V CB 2.037 33.892 31.823 0.054 0.000 1.057 219 V HN -0.250 nan 8.190 nan 0.000 0.436 220 D N 1.185 121.619 120.400 0.056 0.000 2.277 220 D HA 0.432 5.078 4.640 0.009 0.000 0.209 220 D C 0.674 177.033 176.300 0.098 0.000 0.970 220 D CA 1.732 55.769 54.000 0.062 0.000 0.874 220 D CB 1.146 41.973 40.800 0.044 0.000 0.982 220 D HN 0.986 nan 8.370 nan 0.000 0.504 221 A N 0.253 123.153 122.820 0.134 0.000 2.556 221 A HA 0.666 4.992 4.320 0.009 0.000 0.294 221 A C -1.689 176.083 177.584 0.314 0.000 1.091 221 A CA -0.672 51.504 52.037 0.230 0.000 0.704 221 A CB 1.606 20.763 19.000 0.262 0.000 1.300 221 A HN 0.090 nan 8.150 nan 0.000 0.406 222 L N -1.936 119.510 121.223 0.372 0.000 2.518 222 L HA 0.717 5.063 4.340 0.009 0.000 0.257 222 L C -0.931 175.985 176.870 0.077 0.000 0.980 222 L CA -0.758 54.260 54.840 0.297 0.000 0.837 222 L CB 1.052 43.191 42.059 0.133 0.000 1.410 222 L HN 0.754 nan 8.230 nan 0.000 0.410 223 Y N 0.777 120.856 120.300 -0.369 0.000 2.335 223 Y HA 0.717 5.273 4.550 0.009 0.000 0.331 223 Y C 0.108 175.880 175.900 -0.214 0.000 1.094 223 Y CA 0.596 58.291 58.100 -0.675 0.000 1.253 223 Y CB 1.205 39.168 38.460 -0.830 0.000 1.203 223 Y HN 0.925 nan 8.280 nan 0.000 0.508 224 S N 6.807 122.092 115.700 -0.691 0.000 2.546 224 S HA 0.792 5.268 4.470 0.009 0.000 0.274 224 S C -1.662 172.733 174.600 -0.341 0.000 1.121 224 S CA -0.474 57.454 58.200 -0.453 0.000 0.887 224 S CB 0.783 63.672 63.200 -0.518 0.000 1.094 224 S HN 0.845 nan 8.310 nan 0.000 0.474 225 W N 3.168 124.247 121.300 -0.369 0.000 2.803 225 W HA 0.642 5.308 4.660 0.009 0.000 0.424 225 W C -1.499 174.980 176.519 -0.066 0.000 1.092 225 W CA -1.178 56.044 57.345 -0.206 0.000 1.184 225 W CB -1.104 28.208 29.460 -0.247 0.000 1.470 225 W HN 0.900 nan 8.180 nan 0.000 0.598 226 L N -1.646 119.424 121.223 -0.254 0.000 3.233 226 L HA -0.276 4.069 4.340 0.009 0.000 0.335 226 L C -1.630 175.003 176.870 -0.395 0.000 1.091 226 L CA 0.015 54.552 54.840 -0.504 0.000 1.236 226 L CB -1.714 39.797 42.059 -0.913 0.000 1.164 226 L HN 0.283 nan 8.230 nan 0.000 0.490 227 P HA -0.134 nan 4.420 nan 0.000 0.225 227 P C 1.194 178.428 177.300 -0.110 0.000 1.148 227 P CA 1.458 64.319 63.100 -0.399 0.000 0.779 227 P CB -0.014 31.368 31.700 -0.531 0.000 0.780 228 W N 0.284 121.507 121.300 -0.129 0.000 2.338 228 W HA -0.065 4.601 4.660 0.010 0.000 0.304 228 W C 2.393 178.735 176.519 -0.295 0.000 1.212 228 W CA 1.249 58.432 57.345 -0.269 0.000 1.264 228 W CB -1.719 27.509 29.460 -0.388 0.000 1.142 228 W HN 0.001 nan 8.180 nan 0.000 0.512 229 A N 0.624 123.413 122.820 -0.052 0.000 1.933 229 A HA -0.064 4.261 4.320 0.009 0.000 0.218 229 A C 2.398 179.883 177.584 -0.165 0.000 1.175 229 A CA 2.227 54.109 52.037 -0.259 0.000 0.628 229 A CB -1.341 17.615 19.000 -0.074 0.000 0.814 229 A HN 0.271 nan 8.150 nan 0.000 0.444 230 G N -0.503 108.245 108.800 -0.087 0.000 2.421 230 G HA2 -0.191 3.775 3.960 0.009 0.000 0.216 230 G HA3 -0.191 3.775 3.960 0.009 0.000 0.216 230 G C 1.419 176.287 174.900 -0.053 0.000 1.171 230 G CA 0.936 46.002 45.100 -0.057 0.000 0.775 230 G HN 0.490 nan 8.290 nan 0.000 0.543 231 E N 0.059 120.225 120.200 -0.057 0.000 2.106 231 E HA -0.061 4.294 4.350 0.009 0.000 0.192 231 E C 2.497 179.051 176.600 -0.076 0.000 0.984 231 E CA 0.472 56.846 56.400 -0.042 0.000 0.806 231 E CB -0.389 29.305 29.700 -0.008 0.000 0.750 231 E HN 0.368 nan 8.360 nan 0.000 0.458 232 L N 1.471 122.601 121.223 -0.155 0.000 2.046 232 L HA -0.195 4.150 4.340 0.009 0.000 0.208 232 L C 2.437 179.227 176.870 -0.133 0.000 1.077 232 L CA 1.873 56.578 54.840 -0.225 0.000 0.747 232 L CB -0.531 41.236 42.059 -0.487 0.000 0.896 232 L HN 0.065 nan 8.230 nan 0.000 0.432 233 Q N -1.055 118.700 119.800 -0.076 0.000 2.224 233 Q HA -0.126 4.219 4.340 0.009 0.000 0.203 233 Q C 2.010 178.045 176.000 0.058 0.000 0.970 233 Q CA 1.231 57.101 55.803 0.110 0.000 0.865 233 Q CB -0.125 28.747 28.738 0.223 0.000 0.922 233 Q HN 0.649 nan 8.270 nan 0.000 0.445 234 A N -0.032 122.797 122.820 0.014 0.000 2.119 234 A HA -0.107 4.218 4.320 0.009 0.000 0.217 234 A C 2.022 179.611 177.584 0.009 0.000 1.153 234 A CA 1.486 53.530 52.037 0.011 0.000 0.692 234 A CB -0.585 18.414 19.000 -0.002 0.000 0.799 234 A HN 0.557 nan 8.150 nan 0.000 0.458 235 T N -4.925 109.630 114.554 0.001 0.000 3.129 235 T HA 0.406 4.762 4.350 0.009 0.000 0.251 235 T C 1.352 176.063 174.700 0.019 0.000 1.117 235 T CA 1.133 63.234 62.100 0.001 0.000 1.034 235 T CB 0.192 69.050 68.868 -0.016 0.000 0.968 235 T HN 1.518 nan 8.240 nan 0.000 0.526 236 G N 0.970 109.792 108.800 0.037 0.000 2.259 236 G HA2 -0.004 3.961 3.960 0.009 0.000 0.217 236 G HA3 -0.004 3.961 3.960 0.009 0.000 0.217 236 G C 0.440 175.389 174.900 0.083 0.000 1.001 236 G CA -0.220 44.910 45.100 0.050 0.000 0.627 236 G HN 1.122 nan 8.290 nan 0.000 0.501 237 A N 0.806 123.691 122.820 0.109 0.000 2.507 237 A HA 0.614 4.939 4.320 0.009 0.000 0.235 237 A C 0.809 178.575 177.584 0.305 0.000 1.070 237 A CA 1.323 53.480 52.037 0.200 0.000 0.768 237 A CB 0.040 19.168 19.000 0.213 0.000 1.011 237 A HN 1.504 nan 8.150 nan 0.000 0.502 238 R N 1.534 122.179 120.500 0.242 0.000 2.698 238 R HA 0.647 4.993 4.340 0.009 0.000 0.275 238 R C -3.311 172.776 176.300 -0.356 0.000 1.001 238 R CA -1.993 54.116 56.100 0.015 0.000 0.896 238 R CB 1.925 32.219 30.300 -0.011 0.000 1.218 238 R HN 0.456 nan 8.270 nan 0.000 0.462 239 P HA 0.041 nan 4.420 nan 0.000 0.280 239 P C 0.788 177.891 177.300 -0.329 0.000 1.244 239 P CA -0.482 62.100 63.100 -0.863 0.000 0.784 239 P CB 1.655 32.786 31.700 -0.950 0.000 0.913 240 V N 3.273 123.081 119.914 -0.177 0.000 2.343 240 V HA -0.126 4.000 4.120 0.009 0.000 0.247 240 V C 1.232 177.260 176.094 -0.111 0.000 1.051 240 V CA 1.629 63.879 62.300 -0.083 0.000 1.036 240 V CB -0.261 31.559 31.823 -0.005 0.000 0.654 240 V HN 0.377 nan 8.190 nan 0.000 0.451 241 V N 0.538 120.380 119.914 -0.119 0.000 2.569 241 V HA 0.345 4.471 4.120 0.009 0.000 0.301 241 V C -1.003 175.014 176.094 -0.128 0.000 1.044 241 V CA -0.844 61.354 62.300 -0.171 0.000 0.874 241 V CB 1.809 33.484 31.823 -0.245 0.000 1.002 241 V HN 0.306 nan 8.190 nan 0.000 0.424 242 D N 4.246 124.571 120.400 -0.125 0.000 2.374 242 D HA 0.227 4.873 4.640 0.009 0.000 0.240 242 D C 0.983 177.280 176.300 -0.006 0.000 1.229 242 D CA 0.038 53.993 54.000 -0.074 0.000 0.895 242 D CB 1.081 41.846 40.800 -0.059 0.000 1.046 242 D HN 0.479 nan 8.370 nan 0.000 0.498 243 L N 2.861 124.117 121.223 0.054 0.000 2.465 243 L HA 0.079 4.425 4.340 0.009 0.000 0.224 243 L C 2.316 179.256 176.870 0.116 0.000 1.145 243 L CA 0.570 55.479 54.840 0.115 0.000 0.834 243 L CB -0.039 42.136 42.059 0.193 0.000 0.944 243 L HN 0.466 nan 8.230 nan 0.000 0.451 244 G N 0.078 108.941 108.800 0.105 0.000 2.625 244 G HA2 -0.104 3.861 3.960 0.009 0.000 0.214 244 G HA3 -0.104 3.861 3.960 0.009 0.000 0.214 244 G C 1.433 176.380 174.900 0.079 0.000 1.132 244 G CA 0.173 45.337 45.100 0.108 0.000 0.782 244 G HN 0.325 nan 8.290 nan 0.000 0.538 245 L N -0.347 120.912 121.223 0.061 0.000 2.592 245 L HA 0.263 4.609 4.340 0.009 0.000 0.227 245 L C 0.154 177.053 176.870 0.049 0.000 1.127 245 L CA 0.025 54.893 54.840 0.048 0.000 0.884 245 L CB 0.351 42.430 42.059 0.032 0.000 1.065 245 L HN 0.034 nan 8.230 nan 0.000 0.457 246 D N 0.222 120.657 120.400 0.058 0.000 2.593 246 D HA 0.101 4.746 4.640 0.009 0.000 0.251 246 D C 0.402 176.729 176.300 0.044 0.000 1.140 246 D CA -0.237 53.790 54.000 0.046 0.000 0.855 246 D CB 1.720 42.547 40.800 0.044 0.000 1.267 246 D HN 0.044 nan 8.370 nan 0.000 0.532 247 E N 1.687 121.907 120.200 0.033 0.000 2.463 247 E HA -0.163 4.192 4.350 0.009 0.000 0.201 247 E C 1.594 178.201 176.600 0.012 0.000 1.045 247 E CA 0.363 56.781 56.400 0.030 0.000 0.872 247 E CB 0.164 29.883 29.700 0.030 0.000 0.797 247 E HN 0.450 nan 8.360 nan 0.000 0.538 248 R N 0.470 120.972 120.500 0.003 0.000 2.339 248 R HA 0.026 4.372 4.340 0.009 0.000 0.199 248 R C 0.993 177.315 176.300 0.038 0.000 1.018 248 R CA 0.750 56.848 56.100 -0.003 0.000 1.036 248 R CB 0.009 30.260 30.300 -0.082 0.000 0.899 248 R HN 0.006 nan 8.270 nan 0.000 0.473 249 N N 0.596 119.315 118.700 0.031 0.000 2.203 249 N HA 0.143 4.889 4.740 0.009 0.000 0.207 249 N C -0.284 175.149 175.510 -0.128 0.000 1.130 249 N CA 0.263 53.320 53.050 0.012 0.000 0.861 249 N CB 1.259 39.836 38.487 0.150 0.000 1.005 249 N HN 0.279 nan 8.380 nan 0.000 0.507 250 A N 0.437 123.186 122.820 -0.118 0.000 2.304 250 A HA 0.548 4.873 4.320 0.009 0.000 0.271 250 A C -0.830 176.592 177.584 -0.270 0.000 1.091 250 A CA 0.057 52.057 52.037 -0.062 0.000 0.812 250 A CB 0.397 19.411 19.000 0.024 0.000 1.056 250 A HN 0.149 nan 8.150 nan 0.000 0.489 251 Y N -1.246 119.168 120.300 0.190 0.000 2.602 251 Y HA 0.567 5.122 4.550 0.009 0.000 0.342 251 Y C 0.402 176.411 175.900 0.181 0.000 1.029 251 Y CA -0.289 57.941 58.100 0.216 0.000 1.080 251 Y CB 2.212 40.858 38.460 0.309 0.000 1.284 251 Y HN 0.764 nan 8.280 nan 0.000 0.485 252 A N 1.526 124.569 122.820 0.372 0.000 2.322 252 A HA 0.553 4.879 4.320 0.009 0.000 0.327 252 A C -0.573 177.188 177.584 0.295 0.000 1.394 252 A CA -0.566 51.634 52.037 0.273 0.000 0.921 252 A CB -0.239 18.899 19.000 0.230 0.000 1.153 252 A HN 0.613 nan 8.150 nan 0.000 0.523 253 S N 0.938 116.801 115.700 0.271 0.000 2.549 253 S HA 0.370 4.845 4.470 0.009 0.000 0.283 253 S C 0.434 175.268 174.600 0.390 0.000 1.320 253 S CA -0.136 58.254 58.200 0.318 0.000 1.058 253 S CB 0.625 63.960 63.200 0.224 0.000 0.882 253 S HN 1.210 nan 8.310 nan 0.000 0.498 254 V N 1.318 121.426 119.914 0.324 0.000 2.555 254 V HA 0.642 4.768 4.120 0.009 0.000 0.302 254 V C -0.976 175.079 176.094 -0.065 0.000 1.038 254 V CA -1.065 61.294 62.300 0.098 0.000 0.887 254 V CB 1.305 33.160 31.823 0.053 0.000 0.991 254 V HN 0.888 nan 8.190 nan 0.000 0.434 255 W N 5.562 126.406 121.300 -0.761 0.000 2.291 255 W HA 0.752 5.420 4.660 0.013 0.000 0.312 255 W C 0.135 176.380 176.519 -0.458 0.000 1.061 255 W CA -0.371 56.410 57.345 -0.941 0.000 1.296 255 W CB 0.963 29.511 29.460 -1.519 0.000 1.223 255 W HN 1.006 nan 8.180 nan 0.000 0.421 256 T N 2.691 117.264 114.554 0.031 0.000 2.932 256 T HA 0.787 5.143 4.350 0.009 0.000 0.289 256 T C -1.098 173.558 174.700 -0.073 0.000 1.039 256 T CA -0.880 61.195 62.100 -0.042 0.000 1.024 256 T CB 2.039 71.045 68.868 0.230 0.000 1.090 256 T HN 0.404 nan 8.240 nan 0.000 0.496 257 V N 0.561 120.422 119.914 -0.088 0.000 3.087 257 V HA 0.571 4.697 4.120 0.009 0.000 0.306 257 V C -0.384 175.739 176.094 0.049 0.000 1.187 257 V CA -0.763 61.490 62.300 -0.078 0.000 0.999 257 V CB 2.505 34.163 31.823 -0.275 0.000 1.049 257 V HN 1.205 nan 8.190 nan 0.000 0.431 258 S N 3.284 119.049 115.700 0.108 0.000 2.546 258 S HA 0.056 4.532 4.470 0.009 0.000 0.290 258 S C 1.388 176.034 174.600 0.076 0.000 1.290 258 S CA 0.433 58.719 58.200 0.143 0.000 1.069 258 S CB 1.233 64.525 63.200 0.153 0.000 0.846 258 S HN 0.887 nan 8.310 nan 0.000 0.495 259 S N 3.479 119.237 115.700 0.097 0.000 2.383 259 S HA -0.111 4.364 4.470 0.009 0.000 0.229 259 S C 2.321 176.954 174.600 0.055 0.000 1.030 259 S CA 1.221 59.466 58.200 0.075 0.000 1.002 259 S CB -0.612 62.641 63.200 0.089 0.000 0.829 259 S HN 0.931 nan 8.310 nan 0.000 0.467 260 G N 1.488 110.323 108.800 0.058 0.000 2.442 260 G HA2 -0.158 3.807 3.960 0.009 0.000 0.219 260 G HA3 -0.158 3.807 3.960 0.009 0.000 0.219 260 G C 1.315 176.234 174.900 0.032 0.000 1.141 260 G CA 0.546 45.674 45.100 0.047 0.000 0.763 260 G HN 0.432 nan 8.290 nan 0.000 0.554 261 L N 0.054 121.288 121.223 0.019 0.000 2.093 261 L HA -0.069 4.276 4.340 0.009 0.000 0.208 261 L C 2.993 179.845 176.870 -0.030 0.000 1.085 261 L CA 0.497 55.329 54.840 -0.013 0.000 0.755 261 L CB -0.290 41.745 42.059 -0.042 0.000 0.904 261 L HN 0.118 nan 8.230 nan 0.000 0.435 262 V N -0.341 119.554 119.914 -0.031 0.000 2.427 262 V HA -0.254 3.872 4.120 0.009 0.000 0.248 262 V C 2.596 178.754 176.094 0.107 0.000 1.051 262 V CA 1.616 63.929 62.300 0.021 0.000 1.048 262 V CB -0.547 31.314 31.823 0.063 0.000 0.666 262 V HN 0.410 nan 8.190 nan 0.000 0.456 263 R N -0.422 120.121 120.500 0.071 0.000 2.062 263 R HA -0.107 4.238 4.340 0.009 0.000 0.229 263 R C 2.315 178.647 176.300 0.054 0.000 1.128 263 R CA 1.494 57.633 56.100 0.065 0.000 0.960 263 R CB -0.185 30.145 30.300 0.050 0.000 0.855 263 R HN 0.608 nan 8.270 nan 0.000 0.432 264 Q N -0.405 119.419 119.800 0.041 0.000 2.339 264 Q HA 0.073 4.418 4.340 0.009 0.000 0.205 264 Q C 0.411 176.430 176.000 0.032 0.000 0.925 264 Q CA 0.591 56.414 55.803 0.033 0.000 0.898 264 Q CB 0.586 29.340 28.738 0.026 0.000 1.013 264 Q HN 0.113 nan 8.270 nan 0.000 0.504 265 R N 1.111 121.627 120.500 0.028 0.000 2.782 265 R HA 0.184 4.530 4.340 0.009 0.000 0.293 265 R C -2.117 174.200 176.300 0.029 0.000 1.333 265 R CA -1.134 54.979 56.100 0.021 0.000 1.479 265 R CB 0.816 31.117 30.300 0.002 0.000 1.306 265 R HN 0.070 nan 8.270 nan 0.000 0.654 266 P HA -0.159 nan 4.420 nan 0.000 0.219 266 P C 1.326 178.740 177.300 0.191 0.000 1.146 266 P CA 1.363 64.597 63.100 0.223 0.000 0.808 266 P CB 0.338 32.193 31.700 0.257 0.000 0.779 267 G N 0.564 109.423 108.800 0.099 0.000 2.408 267 G HA2 -0.224 3.741 3.960 0.009 0.000 0.217 267 G HA3 -0.224 3.741 3.960 0.009 0.000 0.217 267 G C 1.509 176.431 174.900 0.037 0.000 1.150 267 G CA 0.558 45.701 45.100 0.072 0.000 0.776 267 G HN 0.253 nan 8.290 nan 0.000 0.542 268 L N 0.946 122.171 121.223 0.004 0.000 2.056 268 L HA 0.048 4.394 4.340 0.009 0.000 0.207 268 L C 2.842 179.663 176.870 -0.082 0.000 1.078 268 L CA 1.429 56.252 54.840 -0.027 0.000 0.749 268 L CB -0.606 41.435 42.059 -0.031 0.000 0.901 268 L HN 0.066 nan 8.230 nan 0.000 0.433 269 V N -0.317 119.492 119.914 -0.176 0.000 2.407 269 V HA -0.286 3.840 4.120 0.009 0.000 0.248 269 V C 2.625 178.520 176.094 -0.332 0.000 1.055 269 V CA 1.762 63.807 62.300 -0.424 0.000 1.049 269 V CB -0.713 30.565 31.823 -0.908 0.000 0.662 269 V HN 0.560 nan 8.190 nan 0.000 0.455 270 Q N 0.390 120.163 119.800 -0.045 0.000 2.079 270 Q HA -0.151 4.195 4.340 0.009 0.000 0.200 270 Q C 2.322 178.361 176.000 0.065 0.000 0.974 270 Q CA 1.728 57.619 55.803 0.147 0.000 0.840 270 Q CB -0.277 28.593 28.738 0.220 0.000 0.898 270 Q HN 0.513 nan 8.270 nan 0.000 0.430 271 R N -0.559 119.962 120.500 0.035 0.000 2.096 271 R HA -0.124 4.221 4.340 0.009 0.000 0.235 271 R C 2.210 178.541 176.300 0.053 0.000 1.127 271 R CA 1.231 57.357 56.100 0.042 0.000 0.968 271 R CB -0.470 29.847 30.300 0.028 0.000 0.861 271 R HN 0.292 nan 8.270 nan 0.000 0.440 272 L N 0.594 121.831 121.223 0.023 0.000 2.017 272 L HA -0.145 4.201 4.340 0.009 0.000 0.208 272 L C 2.028 179.019 176.870 0.203 0.000 1.073 272 L CA 1.658 56.548 54.840 0.083 0.000 0.745 272 L CB -0.359 41.705 42.059 0.007 0.000 0.894 272 L HN -0.110 nan 8.230 nan 0.000 0.432 273 V N -0.039 119.926 119.914 0.084 0.000 2.427 273 V HA -0.241 3.885 4.120 0.009 0.000 0.248 273 V C 2.235 178.450 176.094 0.202 0.000 1.051 273 V CA 1.765 64.171 62.300 0.176 0.000 1.048 273 V CB -0.869 30.959 31.823 0.007 0.000 0.666 273 V HN 0.455 nan 8.190 nan 0.000 0.456 274 D N 0.681 121.163 120.400 0.138 0.000 2.117 274 D HA -0.124 4.522 4.640 0.009 0.000 0.197 274 D C 2.248 178.613 176.300 0.108 0.000 0.987 274 D CA 1.643 55.718 54.000 0.125 0.000 0.829 274 D CB -0.332 40.529 40.800 0.101 0.000 0.961 274 D HN 0.439 nan 8.370 nan 0.000 0.460 275 A N 0.992 123.878 122.820 0.110 0.000 1.902 275 A HA -0.051 4.275 4.320 0.009 0.000 0.217 275 A C 2.308 179.871 177.584 -0.035 0.000 1.181 275 A CA 2.258 54.343 52.037 0.079 0.000 0.623 275 A CB -0.699 18.366 19.000 0.109 0.000 0.818 275 A HN 0.241 nan 8.150 nan 0.000 0.443 276 A N -0.720 122.134 122.820 0.057 0.000 1.898 276 A HA 0.045 4.371 4.320 0.009 0.000 0.216 276 A C 2.229 179.786 177.584 -0.045 0.000 1.181 276 A CA 1.659 53.684 52.037 -0.020 0.000 0.620 276 A CB -0.881 18.142 19.000 0.038 0.000 0.819 276 A HN 0.361 nan 8.150 nan 0.000 0.442 277 V N 0.710 120.650 119.914 0.042 0.000 2.343 277 V HA -0.236 3.890 4.120 0.009 0.000 0.247 277 V C 2.126 178.148 176.094 -0.119 0.000 1.051 277 V CA 2.337 64.647 62.300 0.016 0.000 1.036 277 V CB -0.752 31.134 31.823 0.104 0.000 0.654 277 V HN 0.500 nan 8.190 nan 0.000 0.451 278 D N 0.298 120.589 120.400 -0.182 0.000 2.144 278 D HA -0.090 4.556 4.640 0.009 0.000 0.200 278 D C 2.187 177.978 176.300 -0.848 0.000 0.978 278 D CA 1.532 55.306 54.000 -0.377 0.000 0.833 278 D CB -0.246 40.398 40.800 -0.261 0.000 0.961 278 D HN 0.451 nan 8.370 nan 0.000 0.470 279 A N 0.670 122.890 122.820 -1.001 0.000 1.930 279 A HA 0.030 4.356 4.320 0.009 0.000 0.217 279 A C 2.350 179.830 177.584 -0.173 0.000 1.175 279 A CA 1.823 53.349 52.037 -0.851 0.000 0.627 279 A CB -0.885 17.830 19.000 -0.474 0.000 0.815 279 A HN 0.294 nan 8.150 nan 0.000 0.443 280 G N -0.205 108.504 108.800 -0.152 0.000 2.408 280 G HA2 -0.107 3.859 3.960 0.009 0.000 0.217 280 G HA3 -0.107 3.859 3.960 0.009 0.000 0.217 280 G C 1.532 176.410 174.900 -0.037 0.000 1.150 280 G CA 0.963 46.033 45.100 -0.051 0.000 0.776 280 G HN 0.427 nan 8.290 nan 0.000 0.542 281 L N -1.308 119.867 121.223 -0.080 0.000 2.056 281 L HA 0.028 4.373 4.340 0.009 0.000 0.207 281 L C 2.586 179.483 176.870 0.045 0.000 1.078 281 L CA 1.102 55.901 54.840 -0.068 0.000 0.749 281 L CB -0.389 41.571 42.059 -0.165 0.000 0.901 281 L HN 0.462 nan 8.230 nan 0.000 0.433 282 W N 1.089 122.334 121.300 -0.092 0.000 2.358 282 W HA -0.229 4.437 4.660 0.010 0.000 0.303 282 W C 2.478 179.083 176.519 0.143 0.000 1.208 282 W CA 1.658 59.062 57.345 0.098 0.000 1.274 282 W CB -0.106 29.463 29.460 0.182 0.000 1.138 282 W HN 0.106 nan 8.180 nan 0.000 0.515 283 A N 0.992 123.923 122.820 0.185 0.000 1.986 283 A HA -0.244 4.082 4.320 0.009 0.000 0.220 283 A C 1.970 179.421 177.584 -0.221 0.000 1.171 283 A CA 1.947 53.949 52.037 -0.059 0.000 0.640 283 A CB -0.796 18.239 19.000 0.059 0.000 0.811 283 A HN 0.471 nan 8.150 nan 0.000 0.451 284 R N -0.357 120.045 120.500 -0.163 0.000 2.120 284 R HA -0.100 4.246 4.340 0.009 0.000 0.234 284 R C 0.582 176.727 176.300 -0.259 0.000 1.123 284 R CA 1.391 57.379 56.100 -0.187 0.000 0.975 284 R CB -0.227 29.995 30.300 -0.129 0.000 0.866 284 R HN 0.481 nan 8.270 nan 0.000 0.446 285 D N -0.987 119.209 120.400 -0.340 0.000 2.349 285 D HA 0.029 4.674 4.640 0.009 0.000 0.214 285 D C 0.175 175.926 176.300 -0.915 0.000 1.063 285 D CA 0.570 54.259 54.000 -0.518 0.000 0.847 285 D CB 0.436 40.953 40.800 -0.472 0.000 0.933 285 D HN 0.335 nan 8.370 nan 0.000 0.513 286 H N -0.070 118.645 119.070 -0.592 0.000 2.716 286 H HA 0.166 4.728 4.556 0.009 0.000 0.230 286 H C 1.204 176.256 175.328 -0.460 0.000 1.401 286 H CA -0.190 55.475 56.048 -0.639 0.000 1.168 286 H CB 0.822 29.824 29.762 -1.267 0.000 1.935 286 H HN -0.117 nan 8.280 nan 0.000 0.538 287 S N 0.824 116.350 115.700 -0.290 0.000 2.359 287 S HA -0.181 4.294 4.470 0.009 0.000 0.223 287 S C 1.560 176.057 174.600 -0.172 0.000 1.039 287 S CA 1.844 59.891 58.200 -0.255 0.000 1.042 287 S CB 0.187 63.242 63.200 -0.241 0.000 0.915 287 S HN 0.432 nan 8.310 nan 0.000 0.439 288 D N 1.130 121.460 120.400 -0.116 0.000 2.117 288 D HA -0.015 4.630 4.640 0.009 0.000 0.197 288 D C 2.210 178.513 176.300 0.006 0.000 0.987 288 D CA 1.276 55.248 54.000 -0.047 0.000 0.829 288 D CB -0.697 40.083 40.800 -0.034 0.000 0.961 288 D HN 0.495 nan 8.370 nan 0.000 0.460 289 A N 0.619 123.447 122.820 0.014 0.000 1.902 289 A HA -0.137 4.189 4.320 0.009 0.000 0.217 289 A C 2.530 180.211 177.584 0.162 0.000 1.181 289 A CA 1.182 53.281 52.037 0.102 0.000 0.623 289 A CB -0.701 18.389 19.000 0.150 0.000 0.818 289 A HN 0.153 nan 8.150 nan 0.000 0.443 290 V N -0.302 119.682 119.914 0.117 0.000 2.358 290 V HA -0.215 3.911 4.120 0.009 0.000 0.246 290 V C 2.731 179.019 176.094 0.323 0.000 1.047 290 V CA 2.420 64.858 62.300 0.229 0.000 1.035 290 V CB -1.226 30.632 31.823 0.059 0.000 0.658 290 V HN 0.609 nan 8.190 nan 0.000 0.452 291 T N -0.170 114.488 114.554 0.172 0.000 2.708 291 T HA -0.184 4.172 4.350 0.009 0.000 0.266 291 T C 2.143 176.970 174.700 0.212 0.000 1.037 291 T CA 1.919 64.166 62.100 0.246 0.000 1.146 291 T CB -0.271 68.674 68.868 0.127 0.000 0.865 291 T HN 0.508 nan 8.240 nan 0.000 0.435 292 S N 1.966 117.751 115.700 0.142 0.000 2.368 292 S HA -0.081 4.395 4.470 0.009 0.000 0.225 292 S C 2.131 176.788 174.600 0.095 0.000 1.030 292 S CA 1.343 59.601 58.200 0.097 0.000 0.999 292 S CB -0.516 62.727 63.200 0.073 0.000 0.844 292 S HN 0.587 nan 8.310 nan 0.000 0.459 293 L N 0.252 121.549 121.223 0.123 0.000 2.141 293 L HA 0.040 4.385 4.340 0.009 0.000 0.209 293 L C 1.886 178.741 176.870 -0.025 0.000 1.094 293 L CA 1.844 56.707 54.840 0.039 0.000 0.763 293 L CB -1.270 40.806 42.059 0.027 0.000 0.908 293 L HN 0.125 nan 8.230 nan 0.000 0.437 294 H N 0.535 119.637 119.070 0.055 0.000 2.363 294 H HA 0.173 4.734 4.556 0.009 0.000 0.301 294 H C 2.363 177.639 175.328 -0.086 0.000 1.074 294 H CA 1.518 57.577 56.048 0.018 0.000 1.354 294 H CB -0.257 29.595 29.762 0.150 0.000 1.397 294 H HN 0.498 nan 8.280 nan 0.000 0.516 295 A N 0.887 123.740 122.820 0.056 0.000 1.877 295 A HA -0.133 4.193 4.320 0.009 0.000 0.216 295 A C 2.516 180.063 177.584 -0.061 0.000 1.186 295 A CA 1.678 53.688 52.037 -0.046 0.000 0.620 295 A CB -1.153 17.840 19.000 -0.012 0.000 0.822 295 A HN 0.466 nan 8.150 nan 0.000 0.443 296 A N 0.059 122.861 122.820 -0.031 0.000 1.933 296 A HA -0.203 4.123 4.320 0.009 0.000 0.218 296 A C 1.817 179.367 177.584 -0.058 0.000 1.175 296 A CA 1.972 53.990 52.037 -0.033 0.000 0.628 296 A CB -0.716 18.273 19.000 -0.018 0.000 0.814 296 A HN 0.627 nan 8.150 nan 0.000 0.444 297 N N -0.681 117.963 118.700 -0.093 0.000 2.457 297 N HA 0.102 4.848 4.740 0.009 0.000 0.180 297 N C 1.255 176.659 175.510 -0.177 0.000 1.050 297 N CA 0.668 53.648 53.050 -0.116 0.000 0.906 297 N CB -0.042 38.362 38.487 -0.138 0.000 0.968 297 N HN 0.475 nan 8.380 nan 0.000 0.445 298 L N -1.609 119.458 121.223 -0.259 0.000 2.513 298 L HA 0.299 4.645 4.340 0.009 0.000 0.222 298 L C 1.000 177.806 176.870 -0.108 0.000 1.096 298 L CA 0.093 54.654 54.840 -0.465 0.000 0.857 298 L CB 0.045 41.571 42.059 -0.888 0.000 1.026 298 L HN 0.174 nan 8.230 nan 0.000 0.469 299 G N 1.477 110.250 108.800 -0.045 0.000 2.176 299 G HA2 -0.230 3.735 3.960 0.009 0.000 0.252 299 G HA3 -0.230 3.735 3.960 0.009 0.000 0.252 299 G C 0.119 175.056 174.900 0.060 0.000 1.024 299 G CA 0.363 45.485 45.100 0.036 0.000 0.755 299 G HN 0.277 nan 8.290 nan 0.000 0.507 300 V N -2.743 117.178 119.914 0.012 0.000 3.158 300 V HA 0.971 5.097 4.120 0.009 0.000 0.315 300 V C 0.795 176.876 176.094 -0.022 0.000 1.148 300 V CA -0.079 62.230 62.300 0.016 0.000 1.042 300 V CB 1.487 33.319 31.823 0.014 0.000 1.101 300 V HN 1.407 nan 8.190 nan 0.000 0.448 301 S N 0.057 115.744 115.700 -0.022 0.000 2.614 301 S HA 0.198 4.674 4.470 0.009 0.000 0.265 301 S C 1.286 175.862 174.600 -0.039 0.000 1.303 301 S CA 0.315 58.502 58.200 -0.023 0.000 1.000 301 S CB 0.857 64.047 63.200 -0.016 0.000 0.935 301 S HN 1.512 nan 8.310 nan 0.000 0.551 302 T N -1.198 113.345 114.554 -0.019 0.000 2.867 302 T HA 0.034 4.390 4.350 0.009 0.000 0.268 302 T C 1.955 176.644 174.700 -0.018 0.000 1.057 302 T CA 1.036 63.131 62.100 -0.008 0.000 1.136 302 T CB -1.295 67.580 68.868 0.012 0.000 0.874 302 T HN 0.833 nan 8.240 nan 0.000 0.466 303 G N 1.251 110.039 108.800 -0.021 0.000 2.408 303 G HA2 0.091 4.057 3.960 0.009 0.000 0.217 303 G HA3 0.091 4.057 3.960 0.009 0.000 0.217 303 G C 1.880 176.750 174.900 -0.051 0.000 1.150 303 G CA 0.688 45.775 45.100 -0.021 0.000 0.776 303 G HN 0.717 nan 8.290 nan 0.000 0.542 304 A N 0.132 122.907 122.820 -0.075 0.000 1.930 304 A HA 0.119 4.445 4.320 0.009 0.000 0.217 304 A C 2.583 180.022 177.584 -0.242 0.000 1.175 304 A CA 1.668 53.632 52.037 -0.122 0.000 0.627 304 A CB -0.517 18.423 19.000 -0.100 0.000 0.815 304 A HN 0.234 nan 8.150 nan 0.000 0.443 305 V N -0.094 119.661 119.914 -0.265 0.000 2.295 305 V HA -0.176 3.949 4.120 0.009 0.000 0.246 305 V C 2.830 178.715 176.094 -0.349 0.000 1.049 305 V CA 1.984 64.006 62.300 -0.463 0.000 1.024 305 V CB -1.409 30.262 31.823 -0.252 0.000 0.648 305 V HN 0.601 nan 8.190 nan 0.000 0.447 306 G N -1.127 107.626 108.800 -0.079 0.000 2.418 306 G HA2 -0.271 3.695 3.960 0.009 0.000 0.217 306 G HA3 -0.271 3.695 3.960 0.009 0.000 0.217 306 G C 1.501 176.394 174.900 -0.012 0.000 1.158 306 G CA 0.847 45.979 45.100 0.054 0.000 0.771 306 G HN 0.556 nan 8.290 nan 0.000 0.545 307 Q N -0.170 119.590 119.800 -0.066 0.000 2.046 307 Q HA 0.011 4.357 4.340 0.009 0.000 0.200 307 Q C 2.876 178.829 176.000 -0.080 0.000 0.975 307 Q CA 1.113 56.890 55.803 -0.043 0.000 0.836 307 Q CB -0.362 28.357 28.738 -0.032 0.000 0.896 307 Q HN 0.444 nan 8.270 nan 0.000 0.428 308 G N -0.320 108.343 108.800 -0.229 0.000 2.421 308 G HA2 -0.167 3.799 3.960 0.009 0.000 0.217 308 G HA3 -0.167 3.799 3.960 0.009 0.000 0.217 308 G C 0.819 175.622 174.900 -0.162 0.000 1.143 308 G CA 0.409 45.335 45.100 -0.290 0.000 0.784 308 G HN 0.204 nan 8.290 nan 0.000 0.541 309 F N 0.777 120.516 119.950 -0.351 0.000 2.721 309 F HA 0.421 4.954 4.527 0.011 0.000 0.301 309 F C 1.449 177.102 175.800 -0.245 0.000 1.096 309 F CA -0.377 57.319 58.000 -0.507 0.000 1.308 309 F CB 0.006 38.260 39.000 -1.244 0.000 1.086 309 F HN 0.316 nan 8.300 nan 0.000 0.587 310 G N 0.494 109.351 108.800 0.095 0.000 2.663 310 G HA2 0.219 4.185 3.960 0.009 0.000 0.686 310 G HA3 0.219 4.185 3.960 0.009 0.000 0.686 310 G C -0.387 174.648 174.900 0.225 0.000 1.246 310 G CA -0.905 44.282 45.100 0.145 0.000 0.795 310 G HN 0.505 nan 8.290 nan 0.000 0.627 311 A N 0.924 123.826 122.820 0.137 0.000 2.492 311 A HA 0.533 4.858 4.320 0.009 0.000 0.254 311 A C 1.204 178.837 177.584 0.082 0.000 1.091 311 A CA 1.279 53.376 52.037 0.100 0.000 0.768 311 A CB -0.043 18.989 19.000 0.053 0.000 1.028 311 A HN 1.773 nan 8.150 nan 0.000 0.498 312 D N 0.874 121.288 120.400 0.023 0.000 2.837 312 D HA -0.248 4.397 4.640 0.009 0.000 0.230 312 D C 0.434 176.677 176.300 -0.095 0.000 1.152 312 D CA 1.611 55.562 54.000 -0.083 0.000 0.736 312 D CB -1.716 39.047 40.800 -0.061 0.000 1.084 312 D HN 0.856 nan 8.370 nan 0.000 0.429 313 F N 0.061 119.981 119.950 -0.050 0.000 2.333 313 F HA -0.108 4.424 4.527 0.008 0.000 0.300 313 F C 2.097 177.834 175.800 -0.106 0.000 1.083 313 F CA 0.835 58.787 58.000 -0.079 0.000 1.395 313 F CB -0.606 38.340 39.000 -0.089 0.000 1.056 313 F HN -0.098 nan 8.300 nan 0.000 0.529 314 Q N 0.472 119.678 119.800 -0.990 0.000 2.364 314 Q HA -0.116 4.229 4.340 0.009 0.000 0.209 314 Q C 1.749 177.555 176.000 -0.322 0.000 0.977 314 Q CA 1.121 56.486 55.803 -0.731 0.000 0.885 314 Q CB -0.440 27.870 28.738 -0.713 0.000 0.941 314 Q HN 0.509 nan 8.270 nan 0.000 0.464 315 Q N -0.223 119.436 119.800 -0.235 0.000 2.424 315 Q HA 0.094 4.439 4.340 0.009 0.000 0.204 315 Q C 0.385 176.334 176.000 -0.086 0.000 0.933 315 Q CA 0.515 56.233 55.803 -0.141 0.000 0.929 315 Q CB 0.629 29.299 28.738 -0.114 0.000 1.037 315 Q HN 0.356 nan 8.270 nan 0.000 0.511 316 R N 0.337 120.797 120.500 -0.067 0.000 2.816 316 R HA 0.334 4.680 4.340 0.009 0.000 0.382 316 R C 0.891 177.181 176.300 -0.017 0.000 1.140 316 R CA -0.066 56.020 56.100 -0.024 0.000 1.050 316 R CB 0.407 30.709 30.300 0.003 0.000 1.396 316 R HN 0.049 nan 8.270 nan 0.000 0.583 317 L N 0.225 121.428 121.223 -0.033 0.000 2.585 317 L HA 0.190 4.535 4.340 0.009 0.000 0.226 317 L C 0.434 177.298 176.870 -0.009 0.000 1.113 317 L CA 0.029 54.848 54.840 -0.035 0.000 0.876 317 L CB 0.614 42.649 42.059 -0.039 0.000 1.072 317 L HN -0.017 nan 8.230 nan 0.000 0.468 318 V N 2.214 122.128 119.914 0.001 0.000 2.485 318 V HA 0.064 4.190 4.120 0.009 0.000 0.287 318 V C -1.807 174.338 176.094 0.084 0.000 1.022 318 V CA -1.091 61.225 62.300 0.028 0.000 1.067 318 V CB 0.162 31.989 31.823 0.006 0.000 0.967 318 V HN 0.049 nan 8.190 nan 0.000 0.479 319 P HA 0.191 nan 4.420 nan 0.000 0.266 319 P C -0.446 176.942 177.300 0.146 0.000 1.193 319 P CA 0.170 63.412 63.100 0.236 0.000 0.770 319 P CB 0.478 32.395 31.700 0.361 0.000 0.836 320 R N 1.750 122.328 120.500 0.129 0.000 2.750 320 R HA 0.592 4.938 4.340 0.009 0.000 0.281 320 R C -0.031 176.290 176.300 0.035 0.000 0.972 320 R CA -0.754 55.386 56.100 0.068 0.000 0.912 320 R CB 1.533 31.869 30.300 0.060 0.000 1.187 320 R HN 0.393 nan 8.270 nan 0.000 0.464 321 L N 1.375 122.595 121.223 -0.005 0.000 3.429 321 L HA 0.166 4.512 4.340 0.009 0.000 0.311 321 L C -0.589 176.223 176.870 -0.095 0.000 1.274 321 L CA -0.221 54.595 54.840 -0.040 0.000 1.037 321 L CB 0.440 42.469 42.059 -0.050 0.000 1.433 321 L HN 0.744 nan 8.230 nan 0.000 0.614 322 D N -2.743 117.604 120.400 -0.090 0.000 2.371 322 D HA -0.018 4.627 4.640 0.009 0.000 0.242 322 D C 1.229 177.441 176.300 -0.147 0.000 1.218 322 D CA -0.337 53.558 54.000 -0.175 0.000 0.945 322 D CB 0.638 41.391 40.800 -0.078 0.000 1.137 322 D HN 0.004 nan 8.370 nan 0.000 0.464 323 H N -0.154 118.937 119.070 0.035 0.000 2.422 323 H HA -0.103 4.459 4.556 0.011 0.000 0.298 323 H C 0.960 176.314 175.328 0.044 0.000 1.098 323 H CA 1.333 57.404 56.048 0.038 0.000 1.315 323 H CB -0.105 29.677 29.762 0.033 0.000 1.382 323 H HN 0.521 nan 8.280 nan 0.000 0.523 324 D N 0.410 120.889 120.400 0.132 0.000 2.178 324 D HA -0.033 4.613 4.640 0.009 0.000 0.202 324 D C 2.255 178.608 176.300 0.088 0.000 0.974 324 D CA 0.996 55.056 54.000 0.100 0.000 0.841 324 D CB -0.110 40.735 40.800 0.075 0.000 0.953 324 D HN 0.331 nan 8.370 nan 0.000 0.478 325 A N 0.613 123.477 122.820 0.074 0.000 1.898 325 A HA -0.071 4.255 4.320 0.009 0.000 0.216 325 A C 2.357 179.997 177.584 0.092 0.000 1.181 325 A CA 0.708 52.791 52.037 0.077 0.000 0.620 325 A CB -0.678 18.358 19.000 0.059 0.000 0.819 325 A HN 0.184 nan 8.150 nan 0.000 0.442 326 L N -0.762 120.517 121.223 0.093 0.000 2.093 326 L HA -0.164 4.181 4.340 0.009 0.000 0.208 326 L C 3.032 179.980 176.870 0.130 0.000 1.085 326 L CA 0.927 55.836 54.840 0.115 0.000 0.755 326 L CB -0.482 41.658 42.059 0.134 0.000 0.904 326 L HN 0.439 nan 8.230 nan 0.000 0.435 327 A N -0.062 122.833 122.820 0.124 0.000 1.969 327 A HA -0.196 4.129 4.320 0.009 0.000 0.218 327 A C 2.191 179.841 177.584 0.110 0.000 1.169 327 A CA 1.399 53.502 52.037 0.111 0.000 0.635 327 A CB -0.519 18.540 19.000 0.098 0.000 0.810 327 A HN 0.323 nan 8.150 nan 0.000 0.445 328 L N -0.766 120.523 121.223 0.109 0.000 2.027 328 L HA -0.079 4.267 4.340 0.009 0.000 0.206 328 L C 2.195 179.151 176.870 0.144 0.000 1.074 328 L CA 1.940 56.846 54.840 0.110 0.000 0.745 328 L CB -0.599 41.523 42.059 0.106 0.000 0.898 328 L HN 0.327 nan 8.230 nan 0.000 0.433 329 L N -0.298 121.022 121.223 0.162 0.000 2.083 329 L HA -0.175 4.171 4.340 0.009 0.000 0.209 329 L C 2.433 179.424 176.870 0.202 0.000 1.083 329 L CA 1.953 56.915 54.840 0.204 0.000 0.752 329 L CB -0.827 41.353 42.059 0.201 0.000 0.899 329 L HN 0.449 nan 8.230 nan 0.000 0.433 330 E N -0.267 120.034 120.200 0.169 0.000 2.077 330 E HA -0.203 4.152 4.350 0.009 0.000 0.193 330 E C 2.343 179.033 176.600 0.150 0.000 0.989 330 E CA 1.331 57.823 56.400 0.153 0.000 0.800 330 E CB -0.101 29.675 29.700 0.126 0.000 0.746 330 E HN 0.418 nan 8.360 nan 0.000 0.452 331 R N -0.635 119.950 120.500 0.142 0.000 2.096 331 R HA -0.086 4.260 4.340 0.009 0.000 0.235 331 R C 2.342 178.754 176.300 0.186 0.000 1.127 331 R CA 1.747 57.933 56.100 0.143 0.000 0.968 331 R CB -0.491 29.875 30.300 0.111 0.000 0.861 331 R HN 0.219 nan 8.270 nan 0.000 0.440 332 T N 1.412 116.089 114.554 0.205 0.000 2.708 332 T HA -0.208 4.147 4.350 0.009 0.000 0.266 332 T C 1.841 176.711 174.700 0.283 0.000 1.037 332 T CA 1.737 63.998 62.100 0.269 0.000 1.146 332 T CB -0.174 68.897 68.868 0.339 0.000 0.865 332 T HN 0.494 nan 8.240 nan 0.000 0.435 333 Q N 0.523 120.462 119.800 0.231 0.000 2.224 333 Q HA -0.087 4.259 4.340 0.009 0.000 0.203 333 Q C 2.128 178.225 176.000 0.161 0.000 0.970 333 Q CA 0.898 56.815 55.803 0.189 0.000 0.865 333 Q CB -0.171 28.660 28.738 0.154 0.000 0.922 333 Q HN 0.304 nan 8.270 nan 0.000 0.445 334 Q N 0.010 119.909 119.800 0.165 0.000 2.167 334 Q HA -0.101 4.245 4.340 0.009 0.000 0.202 334 Q C 1.722 177.800 176.000 0.131 0.000 0.970 334 Q CA 1.075 56.953 55.803 0.124 0.000 0.855 334 Q CB -0.262 28.547 28.738 0.117 0.000 0.911 334 Q HN 0.519 nan 8.270 nan 0.000 0.438 335 F N 0.923 120.911 119.950 0.064 0.000 2.186 335 F HA -0.123 4.409 4.527 0.009 0.000 0.299 335 F C 1.875 177.690 175.800 0.024 0.000 1.090 335 F CA 0.869 58.898 58.000 0.048 0.000 1.307 335 F CB -0.080 38.963 39.000 0.071 0.000 1.019 335 F HN -0.040 nan 8.300 nan 0.000 0.489 336 L N -0.299 121.053 121.223 0.214 0.000 2.056 336 L HA -0.223 4.123 4.340 0.009 0.000 0.207 336 L C 2.450 179.296 176.870 -0.040 0.000 1.078 336 L CA 1.131 56.024 54.840 0.089 0.000 0.749 336 L CB -0.815 41.329 42.059 0.141 0.000 0.901 336 L HN 0.226 nan 8.230 nan 0.000 0.433 337 L N -0.803 120.414 121.223 -0.010 0.000 2.027 337 L HA -0.182 4.164 4.340 0.009 0.000 0.206 337 L C 2.630 179.446 176.870 -0.090 0.000 1.074 337 L CA 1.487 56.308 54.840 -0.032 0.000 0.745 337 L CB -0.797 41.263 42.059 0.002 0.000 0.898 337 L HN 0.214 nan 8.230 nan 0.000 0.433 338 T N -0.494 113.984 114.554 -0.128 0.000 2.803 338 T HA -0.164 4.191 4.350 0.009 0.000 0.269 338 T C 1.145 175.701 174.700 -0.241 0.000 1.052 338 T CA 1.495 63.493 62.100 -0.170 0.000 1.136 338 T CB -0.334 68.419 68.868 -0.191 0.000 0.864 338 T HN 0.340 nan 8.240 nan 0.000 0.467 339 N N 1.150 119.647 118.700 -0.337 0.000 2.279 339 N HA 0.169 4.915 4.740 0.009 0.000 0.226 339 N C -0.176 175.180 175.510 -0.256 0.000 1.126 339 N CA -0.211 52.635 53.050 -0.341 0.000 0.846 339 N CB 0.148 38.330 38.487 -0.509 0.000 1.050 339 N HN 0.135 nan 8.380 nan 0.000 0.502 340 N N 0.056 118.645 118.700 -0.186 0.000 2.714 340 N HA -0.202 4.543 4.740 0.009 0.000 0.250 340 N C 0.197 175.589 175.510 -0.197 0.000 1.117 340 N CA 0.552 53.516 53.050 -0.144 0.000 0.719 340 N CB -1.256 37.152 38.487 -0.130 0.000 1.081 340 N HN 0.432 nan 8.380 nan 0.000 0.557 341 L N -0.791 120.312 121.223 -0.199 0.000 2.446 341 L HA 0.200 4.546 4.340 0.009 0.000 0.219 341 L C 0.946 177.895 176.870 0.132 0.000 1.116 341 L CA 0.756 55.479 54.840 -0.196 0.000 0.844 341 L CB 0.169 42.147 42.059 -0.136 0.000 0.970 341 L HN 0.122 nan 8.230 nan 0.000 0.457 342 L N -1.393 119.871 121.223 0.067 0.000 2.388 342 L HA 0.257 4.603 4.340 0.009 0.000 0.264 342 L C 0.344 177.241 176.870 0.045 0.000 0.998 342 L CA -0.398 54.488 54.840 0.076 0.000 0.817 342 L CB 2.576 44.664 42.059 0.048 0.000 1.338 342 L HN -0.083 nan 8.230 nan 0.000 0.414 343 Q N 0.185 120.008 119.800 0.037 0.000 2.200 343 Q HA 0.152 4.497 4.340 0.009 0.000 0.197 343 Q C -0.371 175.633 176.000 0.006 0.000 0.953 343 Q CA 0.584 56.398 55.803 0.020 0.000 0.851 343 Q CB 0.768 29.516 28.738 0.016 0.000 0.938 343 Q HN 0.435 nan 8.270 nan 0.000 0.488 344 E N 0.675 120.876 120.200 0.001 0.000 2.343 344 E HA 0.347 4.702 4.350 0.009 0.000 0.270 344 E C -2.543 174.056 176.600 -0.002 0.000 0.895 344 E CA -2.175 54.224 56.400 -0.002 0.000 0.767 344 E CB 1.811 31.506 29.700 -0.008 0.000 1.248 344 E HN -0.000 nan 8.360 nan 0.000 0.440 345 P HA 0.125 nan 4.420 nan 0.000 0.275 345 P C -0.002 177.297 177.300 -0.002 0.000 1.228 345 P CA -0.356 62.753 63.100 0.016 0.000 0.786 345 P CB 0.737 32.459 31.700 0.036 0.000 0.927 346 V N 2.271 122.177 119.914 -0.014 0.000 2.637 346 V HA 0.174 4.299 4.120 0.009 0.000 0.296 346 V C 1.172 177.284 176.094 0.031 0.000 1.046 346 V CA -0.105 62.161 62.300 -0.056 0.000 1.066 346 V CB 0.531 32.256 31.823 -0.163 0.000 0.968 346 V HN 0.728 nan 8.190 nan 0.000 0.483 347 A N 5.777 128.617 122.820 0.034 0.000 2.671 347 A HA 0.379 4.704 4.320 0.009 0.000 0.306 347 A C 1.162 178.849 177.584 0.171 0.000 1.473 347 A CA -0.283 51.804 52.037 0.084 0.000 1.155 347 A CB -0.431 18.605 19.000 0.061 0.000 1.123 347 A HN 0.909 nan 8.150 nan 0.000 0.545 348 L N 0.835 122.188 121.223 0.216 0.000 2.043 348 L HA -0.226 4.120 4.340 0.009 0.000 0.212 348 L C 1.756 178.770 176.870 0.240 0.000 1.075 348 L CA 1.542 56.573 54.840 0.318 0.000 0.752 348 L CB -0.536 41.678 42.059 0.259 0.000 0.891 348 L HN 0.585 nan 8.230 nan 0.000 0.432 349 D N -0.226 120.272 120.400 0.163 0.000 2.144 349 D HA -0.193 4.453 4.640 0.009 0.000 0.199 349 D C 2.259 178.629 176.300 0.117 0.000 0.984 349 D CA 1.281 55.352 54.000 0.119 0.000 0.834 349 D CB -0.095 40.765 40.800 0.100 0.000 0.955 349 D HN 0.374 nan 8.370 nan 0.000 0.465 350 Q N -0.556 119.327 119.800 0.138 0.000 2.245 350 Q HA -0.061 4.285 4.340 0.009 0.000 0.201 350 Q C 1.696 177.818 176.000 0.203 0.000 0.955 350 Q CA 0.387 56.268 55.803 0.131 0.000 0.870 350 Q CB -0.340 28.459 28.738 0.101 0.000 0.945 350 Q HN 0.385 nan 8.270 nan 0.000 0.461 351 W N 1.352 122.662 121.300 0.016 0.000 2.381 351 W HA 0.156 4.823 4.660 0.012 0.000 0.301 351 W C 0.320 176.845 176.519 0.010 0.000 1.205 351 W CA 0.664 58.015 57.345 0.011 0.000 1.285 351 W CB -0.646 28.821 29.460 0.012 0.000 1.133 351 W HN -0.017 nan 8.180 nan 0.000 0.521 352 A N 0.803 123.651 122.820 0.047 0.000 2.483 352 A HA 0.460 4.785 4.320 0.009 0.000 0.238 352 A C 0.054 177.624 177.584 -0.023 0.000 1.070 352 A CA 0.361 52.332 52.037 -0.111 0.000 0.770 352 A CB -0.035 18.917 19.000 -0.081 0.000 1.008 352 A HN 0.649 nan 8.150 nan 0.000 0.497 353 A N 3.727 126.529 122.820 -0.031 0.000 3.064 353 A HA 0.594 4.919 4.320 0.009 0.000 0.339 353 A C -1.335 176.274 177.584 0.042 0.000 1.078 353 A CA -1.087 50.986 52.037 0.060 0.000 0.869 353 A CB 0.282 19.411 19.000 0.215 0.000 1.067 353 A HN 0.617 nan 8.150 nan 0.000 0.480 354 P HA -0.235 nan 4.420 nan 0.000 0.221 354 P C 1.133 178.383 177.300 -0.084 0.000 1.145 354 P CA 1.350 64.423 63.100 -0.045 0.000 0.795 354 P CB 0.269 31.942 31.700 -0.044 0.000 0.775 355 E N 0.181 120.267 120.200 -0.190 0.000 2.118 355 E HA -0.200 4.155 4.350 0.009 0.000 0.195 355 E C 1.801 178.209 176.600 -0.321 0.000 0.992 355 E CA 1.138 57.354 56.400 -0.308 0.000 0.804 355 E CB -1.358 28.055 29.700 -0.479 0.000 0.741 355 E HN 0.219 nan 8.360 nan 0.000 0.458 356 F N 1.198 121.101 119.950 -0.077 0.000 2.075 356 F HA -0.091 4.429 4.527 -0.011 0.000 0.297 356 F C 2.524 178.289 175.800 -0.058 0.000 1.113 356 F CA 1.098 59.048 58.000 -0.083 0.000 1.218 356 F CB -0.866 38.048 39.000 -0.142 0.000 0.984 356 F HN 0.051 nan 8.300 nan 0.000 0.472 357 L N 0.665 121.961 121.223 0.121 0.000 2.083 357 L HA -0.211 4.134 4.340 0.009 0.000 0.209 357 L C 2.015 178.916 176.870 0.052 0.000 1.083 357 L CA 1.799 56.688 54.840 0.082 0.000 0.752 357 L CB -1.197 40.896 42.059 0.056 0.000 0.899 357 L HN 0.131 nan 8.230 nan 0.000 0.433 358 N N -0.460 118.246 118.700 0.011 0.000 2.084 358 N HA -0.205 4.541 4.740 0.009 0.000 0.190 358 N C 1.629 177.139 175.510 -0.000 0.000 1.030 358 N CA 1.631 54.678 53.050 -0.005 0.000 0.849 358 N CB -0.185 38.281 38.487 -0.036 0.000 1.012 358 N HN 0.355 nan 8.380 nan 0.000 0.423 359 N N -0.255 118.435 118.700 -0.018 0.000 2.104 359 N HA -0.131 4.615 4.740 0.009 0.000 0.190 359 N C 1.688 177.209 175.510 0.019 0.000 1.024 359 N CA 0.913 53.955 53.050 -0.014 0.000 0.853 359 N CB -0.801 37.665 38.487 -0.034 0.000 1.008 359 N HN 0.225 nan 8.380 nan 0.000 0.424 360 S N 0.557 116.290 115.700 0.056 0.000 2.356 360 S HA 0.056 4.532 4.470 0.009 0.000 0.223 360 S C 1.951 176.620 174.600 0.114 0.000 1.032 360 S CA 0.628 58.880 58.200 0.087 0.000 1.005 360 S CB -0.180 63.095 63.200 0.124 0.000 0.867 360 S HN 0.219 nan 8.310 nan 0.000 0.449 361 L N 1.286 122.577 121.223 0.113 0.000 2.141 361 L HA -0.040 4.305 4.340 0.009 0.000 0.209 361 L C 2.126 179.058 176.870 0.104 0.000 1.094 361 L CA 1.071 55.997 54.840 0.143 0.000 0.763 361 L CB -0.672 41.440 42.059 0.088 0.000 0.908 361 L HN 0.409 nan 8.230 nan 0.000 0.437 362 N N -0.080 118.645 118.700 0.042 0.000 2.443 362 N HA -0.144 4.602 4.740 0.009 0.000 0.184 362 N C 1.768 177.262 175.510 -0.026 0.000 1.037 362 N CA 0.417 53.474 53.050 0.011 0.000 0.896 362 N CB 0.052 38.536 38.487 -0.005 0.000 0.959 362 N HN 0.322 nan 8.380 nan 0.000 0.442 363 R N -0.058 120.390 120.500 -0.086 0.000 2.148 363 R HA -0.020 4.326 4.340 0.009 0.000 0.227 363 R C 0.857 176.972 176.300 -0.308 0.000 1.103 363 R CA 0.843 56.804 56.100 -0.231 0.000 0.983 363 R CB -0.043 30.032 30.300 -0.375 0.000 0.874 363 R HN 0.450 nan 8.270 nan 0.000 0.451 364 H N -0.445 118.638 119.070 0.022 0.000 2.549 364 H HA 0.243 4.808 4.556 0.016 0.000 0.279 364 H C 0.373 175.712 175.328 0.017 0.000 1.018 364 H CA -0.010 56.051 56.048 0.022 0.000 1.175 364 H CB 0.534 30.310 29.762 0.024 0.000 1.485 364 H HN 0.041 nan 8.280 nan 0.000 0.543 365 R N 0.000 120.551 120.500 0.085 0.000 2.786 365 R HA 0.000 4.346 4.340 0.009 0.000 0.208 365 R CA 0.000 56.135 56.100 0.057 0.000 0.921 365 R CB 0.000 30.326 30.300 0.043 0.000 0.687 365 R HN 0.000 nan 8.270 nan 0.000 0.535