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 2cww_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIQVNAKGA ARLLSRHLWV FRRDVVSGPE TPGLYPVYWG RRFLALALYN DATA SEQUENCE PHTDLAVRAY RFAPAEDPVA ALLENLAQAL ARREAVLRQD PEGGYRLVHA DATA SEQUENCE EGDLLPGLVV DYYAGHAVVQ ATAHAWEGLL PQVAEALRPH VQSVLAKNDA DATA SEQUENCE RTRELEGLPL YVRPLLGEVP ERVQVQEGRV RYLVDLRAGQ KTGAYLDQRE DATA SEQUENCE NRLYMERFRG ERALDVFSYA GGFALHLALG FREVVAVDSS AEALRRAEEN DATA SEQUENCE ARLNGLGNVR VLEANAFDLL RRLEKEGERF DLVVLDPPAF AKGKKDVERA DATA SEQUENCE YRAYKEVNLR AIKLLKEGGI LATASCSHHM TEPLFYAMVA EAAQDAHRLL DATA SEQUENCE RVVEKRGQPF DHPVLLNHPE THYLKFAVFQ VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.061 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.092 0.000 0.988 1 M CB 0.000 32.425 32.600 -0.292 0.000 1.302 2 R N 1.295 121.714 120.500 -0.134 0.000 2.744 2 R HA 0.846 5.186 4.340 0.000 0.000 0.279 2 R C -1.013 175.201 176.300 -0.143 0.000 0.977 2 R CA -0.882 55.187 56.100 -0.051 0.000 0.906 2 R CB 2.803 33.035 30.300 -0.113 0.000 1.197 2 R HN 0.656 nan 8.270 nan 0.000 0.463 3 I N 2.849 123.367 120.570 -0.086 0.000 2.336 3 I HA 0.229 4.399 4.170 0.000 0.000 0.292 3 I C -0.156 175.941 176.117 -0.034 0.000 0.991 3 I CA -0.737 60.438 61.300 -0.209 0.000 1.227 3 I CB 1.538 39.336 38.000 -0.336 0.000 1.366 3 I HN 0.233 nan 8.210 nan 0.000 0.466 4 Q N 6.087 125.866 119.800 -0.036 0.000 2.312 4 Q HA 0.638 4.978 4.340 0.000 0.000 0.263 4 Q C -0.648 175.390 176.000 0.064 0.000 0.995 4 Q CA -0.652 55.181 55.803 0.049 0.000 0.853 4 Q CB 3.034 31.789 28.738 0.028 0.000 1.300 4 Q HN 0.585 nan 8.270 nan 0.000 0.448 5 V N -0.655 119.338 119.914 0.131 0.000 3.040 5 V HA 0.620 4.741 4.120 0.000 0.000 0.312 5 V C -0.156 176.063 176.094 0.209 0.000 1.115 5 V CA -1.218 61.155 62.300 0.122 0.000 0.998 5 V CB 1.817 33.680 31.823 0.067 0.000 1.042 5 V HN 0.845 nan 8.190 nan 0.000 0.433 6 N N 2.489 121.281 118.700 0.154 0.000 2.294 6 N HA 0.444 5.184 4.740 0.000 0.000 0.275 6 N C 1.134 176.736 175.510 0.154 0.000 1.291 6 N CA 0.232 53.405 53.050 0.206 0.000 0.933 6 N CB 0.099 38.666 38.487 0.132 0.000 1.096 6 N HN 1.013 nan 8.380 nan 0.000 0.525 7 A N -0.892 122.054 122.820 0.210 0.000 1.969 7 A HA -0.103 4.217 4.320 0.000 0.000 0.218 7 A C 1.910 179.379 177.584 -0.192 0.000 1.169 7 A CA 1.143 53.186 52.037 0.011 0.000 0.635 7 A CB -0.676 18.465 19.000 0.234 0.000 0.810 7 A HN 0.686 nan 8.150 nan 0.000 0.445 8 K N -0.671 119.689 120.400 -0.067 0.000 2.001 8 K HA -0.063 4.258 4.320 0.000 0.000 0.208 8 K C 2.153 178.693 176.600 -0.100 0.000 1.048 8 K CA 1.168 57.413 56.287 -0.070 0.000 0.932 8 K CB -0.501 31.993 32.500 -0.010 0.000 0.715 8 K HN 0.420 nan 8.250 nan 0.000 0.437 9 G N 1.039 109.799 108.800 -0.067 0.000 2.432 9 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 9 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 9 G C 1.598 176.416 174.900 -0.137 0.000 1.135 9 G CA 0.940 46.011 45.100 -0.048 0.000 0.767 9 G HN 0.350 nan 8.290 nan 0.000 0.550 10 A N 1.092 123.719 122.820 -0.322 0.000 1.930 10 A HA 0.323 4.643 4.320 0.000 0.000 0.217 10 A C 2.780 180.120 177.584 -0.408 0.000 1.175 10 A CA 2.065 53.795 52.037 -0.512 0.000 0.627 10 A CB -0.646 17.535 19.000 -1.365 0.000 0.815 10 A HN 0.706 nan 8.150 nan 0.000 0.443 11 A N -0.229 122.364 122.820 -0.378 0.000 1.930 11 A HA -0.109 4.211 4.320 0.000 0.000 0.217 11 A C 2.217 179.717 177.584 -0.141 0.000 1.175 11 A CA 1.345 53.230 52.037 -0.253 0.000 0.627 11 A CB -0.416 18.461 19.000 -0.206 0.000 0.815 11 A HN 0.544 nan 8.150 nan 0.000 0.443 12 R N -0.520 119.921 120.500 -0.098 0.000 2.083 12 R HA -0.060 4.280 4.340 0.000 0.000 0.237 12 R C 1.948 178.266 176.300 0.031 0.000 1.137 12 R CA 1.615 57.697 56.100 -0.030 0.000 0.951 12 R CB -0.522 29.774 30.300 -0.007 0.000 0.851 12 R HN 0.490 nan 8.270 nan 0.000 0.434 13 L N 0.536 121.790 121.223 0.051 0.000 2.217 13 L HA -0.113 4.227 4.340 0.000 0.000 0.211 13 L C 2.155 179.009 176.870 -0.026 0.000 1.107 13 L CA 0.750 55.702 54.840 0.187 0.000 0.783 13 L CB -0.174 42.026 42.059 0.235 0.000 0.919 13 L HN 0.218 nan 8.230 nan 0.000 0.442 14 L N -0.775 120.384 121.223 -0.107 0.000 2.313 14 L HA -0.073 4.267 4.340 0.000 0.000 0.214 14 L C 2.498 179.249 176.870 -0.198 0.000 1.119 14 L CA 0.913 55.651 54.840 -0.169 0.000 0.809 14 L CB -0.226 41.748 42.059 -0.142 0.000 0.933 14 L HN 0.322 nan 8.230 nan 0.000 0.449 15 S N -1.341 114.271 115.700 -0.147 0.000 2.603 15 S HA 0.002 4.472 4.470 0.000 0.000 0.220 15 S C 0.888 175.401 174.600 -0.145 0.000 0.967 15 S CA -0.325 57.805 58.200 -0.117 0.000 0.920 15 S CB 0.137 63.300 63.200 -0.062 0.000 0.773 15 S HN 0.346 nan 8.310 nan 0.000 0.529 16 R N 0.405 120.747 120.500 -0.264 0.000 3.854 16 R HA -0.134 4.206 4.340 0.000 0.000 0.352 16 R C -0.228 176.073 176.300 0.003 0.000 1.156 16 R CA 0.923 56.791 56.100 -0.386 0.000 0.917 16 R CB -3.194 26.876 30.300 -0.384 0.000 1.471 16 R HN 0.807 nan 8.270 nan 0.000 0.521 17 H N 1.166 120.248 119.070 0.019 0.000 2.551 17 H HA 0.243 4.799 4.556 0.000 0.000 0.358 17 H C 1.327 176.800 175.328 0.242 0.000 1.151 17 H CA 0.297 56.374 56.048 0.048 0.000 1.374 17 H CB 0.756 30.450 29.762 -0.114 0.000 1.473 17 H HN 0.088 nan 8.280 nan 0.000 0.574 18 L N 1.703 123.056 121.223 0.217 0.000 2.554 18 L HA 0.101 4.441 4.340 0.000 0.000 0.225 18 L C 0.129 177.245 176.870 0.410 0.000 1.104 18 L CA -0.180 54.823 54.840 0.272 0.000 0.866 18 L CB 0.108 42.212 42.059 0.074 0.000 1.047 18 L HN 0.300 nan 8.230 nan 0.000 0.468 19 W N 0.951 122.552 121.300 0.503 0.000 2.496 19 W HA 0.544 5.204 4.660 0.000 0.000 0.327 19 W C -0.565 175.951 176.519 -0.006 0.000 1.086 19 W CA -1.176 56.263 57.345 0.157 0.000 1.222 19 W CB 1.226 30.726 29.460 0.067 0.000 1.304 19 W HN -0.445 nan 8.180 nan 0.000 0.547 20 V N 4.651 124.610 119.914 0.074 0.000 2.447 20 V HA 0.281 4.401 4.120 0.000 0.000 0.292 20 V C -0.266 175.739 176.094 -0.149 0.000 1.021 20 V CA -0.987 61.330 62.300 0.027 0.000 0.850 20 V CB 0.420 32.282 31.823 0.066 0.000 1.005 20 V HN 0.228 nan 8.190 nan 0.000 0.426 21 F N 2.573 122.583 119.950 0.099 0.000 2.403 21 F HA 0.390 4.917 4.527 0.000 0.000 0.320 21 F C 1.797 177.631 175.800 0.056 0.000 1.176 21 F CA -0.170 57.864 58.000 0.057 0.000 1.206 21 F CB 0.446 39.467 39.000 0.035 0.000 1.235 21 F HN 0.425 nan 8.300 nan 0.000 0.565 22 R N 1.014 121.638 120.500 0.206 0.000 2.119 22 R HA -0.226 4.114 4.340 0.000 0.000 0.246 22 R C 2.221 178.597 176.300 0.125 0.000 1.146 22 R CA 2.242 58.424 56.100 0.136 0.000 0.962 22 R CB -0.215 30.147 30.300 0.104 0.000 0.863 22 R HN 0.735 nan 8.270 nan 0.000 0.442 23 R N -0.627 119.953 120.500 0.134 0.000 2.241 23 R HA -0.067 4.273 4.340 0.000 0.000 0.224 23 R C 0.273 176.629 176.300 0.093 0.000 1.101 23 R CA 1.617 57.775 56.100 0.096 0.000 0.995 23 R CB 0.006 30.352 30.300 0.076 0.000 0.870 23 R HN 0.161 nan 8.270 nan 0.000 0.463 24 D N 0.766 121.235 120.400 0.114 0.000 2.368 24 D HA 0.146 4.786 4.640 0.000 0.000 0.218 24 D C -0.474 175.879 176.300 0.088 0.000 1.112 24 D CA 0.049 54.105 54.000 0.094 0.000 0.834 24 D CB 0.844 41.702 40.800 0.096 0.000 0.953 24 D HN -0.023 nan 8.370 nan 0.000 0.505 25 V N 0.864 120.833 119.914 0.092 0.000 2.472 25 V HA 0.169 4.289 4.120 0.000 0.000 0.290 25 V C 1.307 177.443 176.094 0.071 0.000 1.037 25 V CA -0.466 61.884 62.300 0.083 0.000 0.908 25 V CB 2.420 34.307 31.823 0.107 0.000 0.985 25 V HN -0.165 nan 8.190 nan 0.000 0.454 26 V N 2.566 122.516 119.914 0.059 0.000 2.627 26 V HA 0.166 4.287 4.120 0.000 0.000 0.239 26 V C 0.746 176.856 176.094 0.027 0.000 1.077 26 V CA 1.186 63.515 62.300 0.048 0.000 1.103 26 V CB 0.890 32.746 31.823 0.055 0.000 0.802 26 V HN 0.902 nan 8.190 nan 0.000 0.482 27 S N -0.652 115.051 115.700 0.005 0.000 2.546 27 S HA 0.825 5.295 4.470 0.000 0.000 0.274 27 S C -0.567 173.988 174.600 -0.075 0.000 1.121 27 S CA 0.053 58.240 58.200 -0.021 0.000 0.887 27 S CB 2.196 65.375 63.200 -0.035 0.000 1.094 27 S HN 0.694 nan 8.310 nan 0.000 0.474 28 G N 1.270 110.025 108.800 -0.074 0.000 2.698 28 G HA2 0.682 4.643 3.960 0.000 0.000 0.293 28 G HA3 0.682 4.643 3.960 0.000 0.000 0.293 28 G C -3.419 171.411 174.900 -0.116 0.000 1.437 28 G CA -1.308 43.672 45.100 -0.201 0.000 0.852 28 G HN 0.643 nan 8.290 nan 0.000 0.499 29 P HA 0.045 nan 4.420 nan 0.000 0.270 29 P C 0.670 177.959 177.300 -0.018 0.000 1.216 29 P CA -0.084 62.857 63.100 -0.266 0.000 0.788 29 P CB 0.873 32.074 31.700 -0.831 0.000 0.883 30 E N -0.548 119.633 120.200 -0.031 0.000 2.216 30 E HA -0.029 4.322 4.350 0.000 0.000 0.192 30 E C 0.640 177.247 176.600 0.012 0.000 0.988 30 E CA 1.141 57.543 56.400 0.004 0.000 0.834 30 E CB -0.045 29.664 29.700 0.015 0.000 0.772 30 E HN 0.641 nan 8.360 nan 0.000 0.479 31 T N -1.526 113.065 114.554 0.062 0.000 2.906 31 T HA 0.534 4.885 4.350 0.000 0.000 0.295 31 T C -2.888 171.900 174.700 0.146 0.000 1.061 31 T CA -2.376 59.765 62.100 0.069 0.000 1.000 31 T CB 2.105 71.035 68.868 0.102 0.000 1.103 31 T HN -0.319 nan 8.240 nan 0.000 0.486 32 P HA 0.500 nan 4.420 nan 0.000 0.267 32 P C 0.462 177.839 177.300 0.129 0.000 1.200 32 P CA 0.769 63.860 63.100 -0.015 0.000 0.772 32 P CB 0.379 31.897 31.700 -0.303 0.000 0.855 33 G N 0.913 109.747 108.800 0.057 0.000 2.367 33 G HA2 0.242 4.202 3.960 0.000 0.000 0.272 33 G HA3 0.242 4.202 3.960 0.000 0.000 0.272 33 G C -1.990 172.639 174.900 -0.452 0.000 1.271 33 G CA -0.790 44.166 45.100 -0.241 0.000 0.893 33 G HN 0.403 nan 8.290 nan 0.000 0.485 34 L N 1.302 122.119 121.223 -0.677 0.000 2.295 34 L HA 0.626 4.966 4.340 0.000 0.000 0.281 34 L C -1.137 175.420 176.870 -0.522 0.000 1.018 34 L CA -0.594 53.982 54.840 -0.439 0.000 0.841 34 L CB 0.760 42.654 42.059 -0.276 0.000 1.218 34 L HN 0.491 nan 8.230 nan 0.000 0.424 35 Y N 3.199 123.557 120.300 0.097 0.000 2.576 35 Y HA 0.584 5.134 4.550 0.000 0.000 0.346 35 Y C -2.309 173.617 175.900 0.043 0.000 1.018 35 Y CA -2.828 55.309 58.100 0.062 0.000 1.050 35 Y CB 1.470 39.928 38.460 -0.004 0.000 1.280 35 Y HN 0.350 nan 8.280 nan 0.000 0.474 36 P HA 0.295 nan 4.420 nan 0.000 0.281 36 P C -1.052 176.251 177.300 0.006 0.000 1.249 36 P CA -0.287 62.889 63.100 0.126 0.000 0.810 36 P CB 2.016 33.932 31.700 0.360 0.000 1.008 37 V N 3.166 122.886 119.914 -0.323 0.000 2.513 37 V HA 0.404 4.524 4.120 0.000 0.000 0.299 37 V C -0.501 175.375 176.094 -0.365 0.000 1.035 37 V CA -0.284 61.877 62.300 -0.232 0.000 0.889 37 V CB 0.900 32.578 31.823 -0.240 0.000 0.988 37 V HN 0.472 nan 8.190 nan 0.000 0.440 38 Y N 1.596 121.846 120.300 -0.085 0.000 2.605 38 Y HA 0.555 5.105 4.550 0.000 0.000 0.343 38 Y C -0.914 175.071 175.900 0.142 0.000 1.036 38 Y CA -1.001 57.108 58.100 0.016 0.000 1.065 38 Y CB 2.037 40.524 38.460 0.046 0.000 1.288 38 Y HN 0.707 nan 8.280 nan 0.000 0.481 39 W N 2.770 124.155 121.300 0.141 0.000 2.485 39 W HA 0.552 5.212 4.660 0.000 0.000 0.297 39 W C 0.255 176.834 176.519 0.100 0.000 0.999 39 W CA -0.392 57.002 57.345 0.081 0.000 1.512 39 W CB 0.510 29.999 29.460 0.048 0.000 1.322 39 W HN 0.895 nan 8.180 nan 0.000 0.419 40 G N 3.939 112.764 108.800 0.042 0.000 2.536 40 G HA2 -0.308 3.652 3.960 0.000 0.000 0.277 40 G HA3 -0.308 3.652 3.960 0.000 0.000 0.277 40 G C 0.712 175.626 174.900 0.024 0.000 1.155 40 G CA 0.186 45.236 45.100 -0.085 0.000 0.960 40 G HN 0.474 nan 8.290 nan 0.000 0.544 41 R N 0.892 121.408 120.500 0.027 0.000 2.696 41 R HA 0.255 4.595 4.340 0.000 0.000 0.355 41 R C 0.754 177.222 176.300 0.279 0.000 1.138 41 R CA -0.204 55.954 56.100 0.096 0.000 1.059 41 R CB 0.550 30.853 30.300 0.004 0.000 1.380 41 R HN 0.426 nan 8.270 nan 0.000 0.578 42 R N 1.059 121.760 120.500 0.335 0.000 2.288 42 R HA 0.147 4.487 4.340 0.000 0.000 0.326 42 R C -0.961 175.527 176.300 0.312 0.000 0.959 42 R CA -0.488 55.804 56.100 0.321 0.000 0.834 42 R CB 0.478 30.936 30.300 0.263 0.000 1.157 42 R HN -0.063 nan 8.270 nan 0.000 0.470 43 F N 5.437 125.400 119.950 0.023 0.000 2.578 43 F HA 0.043 4.570 4.527 0.001 0.000 0.376 43 F C 0.131 175.834 175.800 -0.163 0.000 1.085 43 F CA 0.386 58.143 58.000 -0.406 0.000 1.260 43 F CB 0.658 39.437 39.000 -0.367 0.000 1.095 43 F HN 0.585 nan 8.300 nan 0.000 0.573 44 L N 4.646 125.340 121.223 -0.882 0.000 2.515 44 L HA 0.517 4.857 4.340 0.000 0.000 0.202 44 L C 0.549 177.028 176.870 -0.652 0.000 1.056 44 L CA 0.420 54.982 54.840 -0.463 0.000 0.847 44 L CB -0.125 41.797 42.059 -0.228 0.000 1.131 44 L HN 0.758 nan 8.230 nan 0.000 0.484 45 A N -0.670 121.387 122.820 -1.272 0.000 2.483 45 A HA 0.600 4.921 4.320 0.000 0.000 0.294 45 A C -1.840 175.338 177.584 -0.678 0.000 1.077 45 A CA -0.550 50.971 52.037 -0.859 0.000 0.633 45 A CB 0.773 19.365 19.000 -0.680 0.000 1.318 45 A HN -0.041 nan 8.150 nan 0.000 0.455 46 L N -0.214 120.764 121.223 -0.409 0.000 2.334 46 L HA 0.868 5.208 4.340 0.000 0.000 0.272 46 L C 0.385 177.077 176.870 -0.298 0.000 1.020 46 L CA -0.305 54.361 54.840 -0.291 0.000 0.812 46 L CB 1.791 43.553 42.059 -0.496 0.000 1.264 46 L HN 1.287 nan 8.230 nan 0.000 0.439 47 A N 1.862 124.743 122.820 0.102 0.000 2.586 47 A HA 0.660 4.980 4.320 0.000 0.000 0.291 47 A C -1.899 175.829 177.584 0.241 0.000 1.062 47 A CA -0.574 51.612 52.037 0.248 0.000 0.666 47 A CB 1.145 20.188 19.000 0.071 0.000 1.281 47 A HN 0.409 nan 8.150 nan 0.000 0.421 48 L N 1.468 122.783 121.223 0.154 0.000 2.265 48 L HA 0.542 4.882 4.340 0.000 0.000 0.288 48 L C -0.677 176.287 176.870 0.156 0.000 1.058 48 L CA 0.135 54.989 54.840 0.023 0.000 0.809 48 L CB 0.777 42.796 42.059 -0.068 0.000 1.179 48 L HN 0.662 nan 8.230 nan 0.000 0.429 49 Y N 4.426 124.738 120.300 0.021 0.000 2.409 49 Y HA 0.552 5.102 4.550 0.000 0.000 0.343 49 Y C -0.612 175.315 175.900 0.046 0.000 0.973 49 Y CA -0.979 57.166 58.100 0.075 0.000 1.064 49 Y CB 1.489 40.087 38.460 0.230 0.000 1.207 49 Y HN 0.596 nan 8.280 nan 0.000 0.452 50 N N 7.386 125.721 118.700 -0.608 0.000 2.480 50 N HA 0.314 5.054 4.740 0.000 0.000 0.289 50 N C -2.634 172.323 175.510 -0.922 0.000 1.073 50 N CA -2.010 50.675 53.050 -0.609 0.000 0.885 50 N CB 2.832 41.164 38.487 -0.257 0.000 1.421 50 N HN 0.429 nan 8.380 nan 0.000 0.503 51 P HA 0.038 nan 4.420 nan 0.000 0.241 51 P C 0.037 176.967 177.300 -0.617 0.000 1.191 51 P CA 0.766 63.365 63.100 -0.835 0.000 0.771 51 P CB 0.246 31.518 31.700 -0.713 0.000 0.929 52 H N -0.501 118.449 119.070 -0.200 0.000 2.542 52 H HA 0.230 4.786 4.556 0.000 0.000 0.283 52 H C 0.632 175.908 175.328 -0.087 0.000 1.059 52 H CA 0.313 56.292 56.048 -0.114 0.000 1.162 52 H CB 0.198 29.897 29.762 -0.105 0.000 1.539 52 H HN 0.180 nan 8.280 nan 0.000 0.543 53 T N -2.668 111.859 114.554 -0.045 0.000 2.907 53 T HA 0.143 4.493 4.350 0.000 0.000 0.292 53 T C 0.732 175.426 174.700 -0.010 0.000 1.043 53 T CA -0.781 61.305 62.100 -0.023 0.000 1.003 53 T CB 2.905 71.743 68.868 -0.050 0.000 1.084 53 T HN -0.107 nan 8.240 nan 0.000 0.483 54 D N 0.096 120.519 120.400 0.039 0.000 2.117 54 D HA -0.106 4.534 4.640 0.000 0.000 0.197 54 D C 0.806 177.200 176.300 0.157 0.000 0.987 54 D CA 0.721 54.797 54.000 0.126 0.000 0.829 54 D CB -0.089 40.805 40.800 0.157 0.000 0.961 54 D HN 0.389 nan 8.370 nan 0.000 0.460 55 L N 0.780 121.997 121.223 -0.011 0.000 2.356 55 L HA 0.485 4.825 4.340 0.000 0.000 0.282 55 L C 0.838 177.551 176.870 -0.262 0.000 1.132 55 L CA -0.256 54.354 54.840 -0.382 0.000 0.923 55 L CB -0.042 41.705 42.059 -0.520 0.000 1.278 55 L HN 0.051 nan 8.230 nan 0.000 0.436 56 A N 4.151 126.866 122.820 -0.174 0.000 1.903 56 A HA 0.225 4.545 4.320 0.000 0.000 0.213 56 A C 0.658 178.300 177.584 0.096 0.000 1.185 56 A CA 0.799 52.809 52.037 -0.044 0.000 0.628 56 A CB 0.075 19.135 19.000 0.100 0.000 0.830 56 A HN 0.422 nan 8.150 nan 0.000 0.446 57 V N -0.020 119.929 119.914 0.059 0.000 2.495 57 V HA 0.507 4.627 4.120 0.000 0.000 0.298 57 V C -0.436 175.735 176.094 0.129 0.000 1.031 57 V CA -0.645 61.738 62.300 0.139 0.000 0.871 57 V CB 1.465 33.357 31.823 0.116 0.000 0.988 57 V HN 0.416 nan 8.190 nan 0.000 0.432 58 R N 2.837 123.442 120.500 0.175 0.000 2.472 58 R HA 0.640 4.980 4.340 0.000 0.000 0.294 58 R C -0.213 176.204 176.300 0.195 0.000 1.243 58 R CA -0.323 55.939 56.100 0.271 0.000 1.023 58 R CB 1.790 32.238 30.300 0.247 0.000 1.157 58 R HN 0.884 nan 8.270 nan 0.000 0.530 59 A N 2.188 125.070 122.820 0.102 0.000 2.477 59 A HA 0.124 4.445 4.320 0.000 0.000 0.246 59 A C 0.082 177.639 177.584 -0.044 0.000 1.078 59 A CA 0.097 52.057 52.037 -0.128 0.000 0.770 59 A CB -0.085 18.617 19.000 -0.495 0.000 1.011 59 A HN 0.940 nan 8.150 nan 0.000 0.494 60 Y N 0.016 120.187 120.300 -0.215 0.000 2.610 60 Y HA 0.623 5.173 4.550 0.000 0.000 0.254 60 Y C 0.216 176.039 175.900 -0.128 0.000 1.110 60 Y CA -0.456 57.573 58.100 -0.118 0.000 1.238 60 Y CB 0.332 38.764 38.460 -0.046 0.000 1.322 60 Y HN 0.606 nan 8.280 nan 0.000 0.547 61 R N -0.007 120.075 120.500 -0.697 0.000 2.561 61 R HA 0.382 4.722 4.340 0.000 0.000 0.266 61 R C -2.055 173.947 176.300 -0.496 0.000 1.091 61 R CA -0.561 55.245 56.100 -0.490 0.000 0.927 61 R CB 0.757 30.730 30.300 -0.545 0.000 1.240 61 R HN 0.111 nan 8.270 nan 0.000 0.449 62 F N 2.372 122.291 119.950 -0.051 0.000 2.850 62 F HA 0.588 5.115 4.527 0.000 0.000 0.306 62 F C 0.003 175.889 175.800 0.143 0.000 1.162 62 F CA 0.004 58.007 58.000 0.005 0.000 1.327 62 F CB 1.600 40.594 39.000 -0.011 0.000 0.953 62 F HN 0.539 nan 8.300 nan 0.000 0.507 63 A N 0.671 123.669 122.820 0.296 0.000 2.547 63 A HA 0.685 5.006 4.320 0.000 0.000 0.297 63 A C -2.871 174.702 177.584 -0.018 0.000 1.056 63 A CA -1.573 50.585 52.037 0.202 0.000 0.688 63 A CB 1.317 20.358 19.000 0.067 0.000 1.282 63 A HN -0.101 nan 8.150 nan 0.000 0.400 64 P HA 0.409 nan 4.420 nan 0.000 0.271 64 P C -0.427 176.702 177.300 -0.284 0.000 1.216 64 P CA 0.328 62.962 63.100 -0.777 0.000 0.771 64 P CB 1.298 32.333 31.700 -1.109 0.000 0.864 65 A N 3.233 125.958 122.820 -0.158 0.000 2.371 65 A HA 0.370 4.691 4.320 0.000 0.000 0.311 65 A C 1.204 178.765 177.584 -0.039 0.000 1.068 65 A CA -0.576 51.418 52.037 -0.071 0.000 0.744 65 A CB 0.949 19.932 19.000 -0.027 0.000 1.239 65 A HN 0.427 nan 8.150 nan 0.000 0.435 66 E N 1.020 121.203 120.200 -0.029 0.000 2.026 66 E HA -0.186 4.164 4.350 0.000 0.000 0.206 66 E C 0.051 176.657 176.600 0.011 0.000 1.028 66 E CA 1.472 57.866 56.400 -0.010 0.000 0.845 66 E CB -0.014 29.682 29.700 -0.006 0.000 0.772 66 E HN 0.723 nan 8.360 nan 0.000 0.462 67 D N 0.170 120.581 120.400 0.018 0.000 2.412 67 D HA 0.117 4.757 4.640 0.000 0.000 0.224 67 D C -1.945 174.384 176.300 0.047 0.000 1.093 67 D CA -2.252 51.765 54.000 0.028 0.000 0.850 67 D CB 1.491 42.304 40.800 0.022 0.000 1.046 67 D HN -0.240 nan 8.370 nan 0.000 0.507 68 P HA -0.128 nan 4.420 nan 0.000 0.218 68 P C 1.497 178.855 177.300 0.097 0.000 1.148 68 P CA 0.504 63.675 63.100 0.119 0.000 0.822 68 P CB 0.551 32.310 31.700 0.098 0.000 0.784 69 V N -0.483 119.435 119.914 0.005 0.000 2.591 69 V HA -0.131 3.989 4.120 0.000 0.000 0.249 69 V C 2.328 178.413 176.094 -0.016 0.000 1.053 69 V CA 1.891 64.156 62.300 -0.058 0.000 1.068 69 V CB -1.462 30.321 31.823 -0.066 0.000 0.689 69 V HN 0.086 nan 8.190 nan 0.000 0.462 70 A N 0.169 123.003 122.820 0.023 0.000 1.897 70 A HA -0.025 4.295 4.320 0.000 0.000 0.215 70 A C 2.430 180.054 177.584 0.068 0.000 1.181 70 A CA 1.734 53.793 52.037 0.037 0.000 0.620 70 A CB -0.690 18.330 19.000 0.033 0.000 0.821 70 A HN 0.520 nan 8.150 nan 0.000 0.443 71 A N -0.399 122.484 122.820 0.105 0.000 1.908 71 A HA -0.067 4.253 4.320 0.000 0.000 0.218 71 A C 2.145 179.871 177.584 0.237 0.000 1.181 71 A CA 1.805 53.940 52.037 0.163 0.000 0.627 71 A CB -0.614 18.494 19.000 0.180 0.000 0.818 71 A HN 0.643 nan 8.150 nan 0.000 0.445 72 L N -0.225 121.117 121.223 0.199 0.000 2.005 72 L HA -0.051 4.289 4.340 0.000 0.000 0.207 72 L C 2.189 179.097 176.870 0.064 0.000 1.072 72 L CA 1.746 56.578 54.840 -0.013 0.000 0.744 72 L CB -0.508 41.264 42.059 -0.479 0.000 0.895 72 L HN 0.386 nan 8.230 nan 0.000 0.433 73 L N -0.536 120.718 121.223 0.051 0.000 2.450 73 L HA -0.164 4.176 4.340 0.000 0.000 0.224 73 L C 2.395 179.327 176.870 0.102 0.000 1.149 73 L CA 1.032 55.934 54.840 0.102 0.000 0.816 73 L CB -0.545 41.556 42.059 0.071 0.000 0.932 73 L HN 0.481 nan 8.230 nan 0.000 0.449 74 E N 0.287 120.546 120.200 0.099 0.000 2.060 74 E HA -0.155 4.196 4.350 0.000 0.000 0.189 74 E C 1.860 178.520 176.600 0.100 0.000 0.974 74 E CA 0.587 57.041 56.400 0.090 0.000 0.808 74 E CB 0.224 29.975 29.700 0.085 0.000 0.768 74 E HN 0.414 nan 8.360 nan 0.000 0.453 75 N N 1.027 119.807 118.700 0.132 0.000 2.149 75 N HA -0.174 4.566 4.740 0.000 0.000 0.188 75 N C 1.805 177.383 175.510 0.113 0.000 1.019 75 N CA 0.677 53.807 53.050 0.134 0.000 0.857 75 N CB -0.314 38.287 38.487 0.190 0.000 0.997 75 N HN 0.201 nan 8.380 nan 0.000 0.426 76 L N 0.901 122.202 121.223 0.130 0.000 2.141 76 L HA 0.035 4.375 4.340 0.000 0.000 0.209 76 L C 2.005 178.914 176.870 0.064 0.000 1.094 76 L CA 1.314 56.215 54.840 0.101 0.000 0.763 76 L CB -0.931 41.213 42.059 0.142 0.000 0.908 76 L HN 0.105 nan 8.230 nan 0.000 0.437 77 A N -0.955 121.907 122.820 0.071 0.000 1.855 77 A HA -0.219 4.101 4.320 0.000 0.000 0.215 77 A C 2.165 179.774 177.584 0.042 0.000 1.191 77 A CA 1.569 53.640 52.037 0.057 0.000 0.613 77 A CB -0.569 18.467 19.000 0.059 0.000 0.829 77 A HN 0.604 nan 8.150 nan 0.000 0.442 78 Q N -0.628 119.200 119.800 0.046 0.000 2.291 78 Q HA 0.018 4.358 4.340 0.000 0.000 0.205 78 Q C 2.119 178.135 176.000 0.025 0.000 0.970 78 Q CA 1.060 56.885 55.803 0.036 0.000 0.876 78 Q CB -0.287 28.478 28.738 0.044 0.000 0.935 78 Q HN 0.694 nan 8.270 nan 0.000 0.455 79 A N 0.153 122.988 122.820 0.024 0.000 1.975 79 A HA 0.006 4.326 4.320 0.000 0.000 0.215 79 A C 1.873 179.439 177.584 -0.030 0.000 1.170 79 A CA 0.494 52.533 52.037 0.003 0.000 0.656 79 A CB -0.147 18.858 19.000 0.007 0.000 0.821 79 A HN 0.267 nan 8.150 nan 0.000 0.449 80 L N -0.902 120.302 121.223 -0.033 0.000 2.240 80 L HA -0.053 4.287 4.340 0.000 0.000 0.211 80 L C 2.991 179.798 176.870 -0.106 0.000 1.106 80 L CA 0.743 55.530 54.840 -0.087 0.000 0.793 80 L CB -0.394 41.630 42.059 -0.059 0.000 0.927 80 L HN 0.442 nan 8.230 nan 0.000 0.446 81 A N 0.385 123.179 122.820 -0.043 0.000 1.858 81 A HA -0.212 4.108 4.320 0.000 0.000 0.216 81 A C 2.284 179.847 177.584 -0.034 0.000 1.190 81 A CA 1.329 53.347 52.037 -0.031 0.000 0.617 81 A CB -0.496 18.504 19.000 0.001 0.000 0.827 81 A HN 0.284 nan 8.150 nan 0.000 0.443 82 R N -1.295 119.201 120.500 -0.007 0.000 2.211 82 R HA -0.147 4.194 4.340 0.000 0.000 0.240 82 R C 2.243 178.584 176.300 0.068 0.000 1.144 82 R CA 1.456 57.575 56.100 0.032 0.000 0.992 82 R CB -0.169 30.167 30.300 0.059 0.000 0.869 82 R HN 0.356 nan 8.270 nan 0.000 0.462 83 R N 0.218 120.717 120.500 -0.002 0.000 2.005 83 R HA 0.011 4.351 4.340 0.000 0.000 0.213 83 R C 1.694 177.899 176.300 -0.158 0.000 1.308 83 R CA 0.975 57.062 56.100 -0.022 0.000 1.022 83 R CB -0.705 29.503 30.300 -0.153 0.000 0.883 83 R HN 0.077 nan 8.270 nan 0.000 0.470 84 E N -0.053 119.996 120.200 -0.252 0.000 2.549 84 E HA -0.403 3.947 4.350 0.000 0.000 0.249 84 E C 1.576 178.065 176.600 -0.186 0.000 1.084 84 E CA 2.426 58.674 56.400 -0.254 0.000 1.243 84 E CB -0.392 29.207 29.700 -0.169 0.000 1.105 84 E HN 0.402 nan 8.360 nan 0.000 0.477 85 A N -0.229 122.510 122.820 -0.136 0.000 2.009 85 A HA -0.222 4.098 4.320 0.000 0.000 0.222 85 A C 2.295 179.776 177.584 -0.172 0.000 1.175 85 A CA 2.151 54.113 52.037 -0.124 0.000 0.651 85 A CB -0.395 18.540 19.000 -0.109 0.000 0.815 85 A HN 0.263 nan 8.150 nan 0.000 0.459 86 V N -0.962 118.806 119.914 -0.245 0.000 2.825 86 V HA -0.018 4.102 4.120 0.000 0.000 0.246 86 V C 2.253 178.076 176.094 -0.452 0.000 1.068 86 V CA 0.988 63.089 62.300 -0.332 0.000 1.088 86 V CB -0.445 31.144 31.823 -0.389 0.000 0.733 86 V HN 0.533 nan 8.190 nan 0.000 0.468 87 L N 0.872 121.809 121.223 -0.476 0.000 2.275 87 L HA -0.098 4.242 4.340 0.000 0.000 0.215 87 L C 2.647 179.374 176.870 -0.238 0.000 1.119 87 L CA 1.443 55.972 54.840 -0.518 0.000 0.790 87 L CB -0.322 41.420 42.059 -0.528 0.000 0.919 87 L HN 0.468 nan 8.230 nan 0.000 0.443 88 R N -1.549 118.858 120.500 -0.155 0.000 2.237 88 R HA -0.001 4.339 4.340 0.000 0.000 0.195 88 R C 1.812 178.079 176.300 -0.056 0.000 0.956 88 R CA 0.027 56.090 56.100 -0.063 0.000 1.029 88 R CB -0.166 30.111 30.300 -0.038 0.000 0.972 88 R HN 0.121 nan 8.270 nan 0.000 0.493 89 Q N 1.348 121.095 119.800 -0.088 0.000 2.320 89 Q HA 0.043 4.383 4.340 0.000 0.000 0.201 89 Q C -0.631 175.354 176.000 -0.026 0.000 0.910 89 Q CA 0.548 56.317 55.803 -0.056 0.000 0.946 89 Q CB 0.614 29.308 28.738 -0.073 0.000 1.062 89 Q HN 0.340 nan 8.270 nan 0.000 0.503 90 D N -0.946 119.437 120.400 -0.028 0.000 3.785 90 D HA 0.076 4.716 4.640 0.000 0.000 0.241 90 D C -2.396 173.945 176.300 0.069 0.000 1.488 90 D CA -0.796 53.236 54.000 0.055 0.000 0.912 90 D CB 0.451 41.337 40.800 0.143 0.000 1.418 90 D HN -0.057 nan 8.370 nan 0.000 0.749 91 P HA -0.004 nan 4.420 nan 0.000 0.236 91 P C 0.813 178.262 177.300 0.249 0.000 1.172 91 P CA 0.769 63.957 63.100 0.147 0.000 0.759 91 P CB 0.336 32.099 31.700 0.105 0.000 0.843 92 E N -0.798 119.530 120.200 0.214 0.000 2.473 92 E HA 0.150 4.500 4.350 0.000 0.000 0.204 92 E C 1.126 177.874 176.600 0.246 0.000 0.994 92 E CA -0.172 56.342 56.400 0.190 0.000 0.945 92 E CB 0.027 29.791 29.700 0.107 0.000 0.990 92 E HN 0.082 nan 8.360 nan 0.000 0.493 93 G N -0.290 108.731 108.800 0.368 0.000 2.621 93 G HA2 0.424 4.384 3.960 0.000 0.000 0.271 93 G HA3 0.424 4.384 3.960 0.000 0.000 0.271 93 G C -0.029 175.143 174.900 0.453 0.000 1.236 93 G CA -0.159 45.166 45.100 0.374 0.000 0.958 93 G HN 0.162 nan 8.290 nan 0.000 0.512 94 G N -0.909 108.015 108.800 0.207 0.000 2.384 94 G HA2 0.567 4.527 3.960 0.000 0.000 0.316 94 G HA3 0.567 4.527 3.960 0.000 0.000 0.316 94 G C -1.448 173.417 174.900 -0.060 0.000 1.160 94 G CA -0.257 44.974 45.100 0.218 0.000 0.936 94 G HN 0.368 nan 8.290 nan 0.000 0.455 95 Y N 0.193 120.512 120.300 0.031 0.000 2.576 95 Y HA 0.570 5.120 4.550 0.001 0.000 0.346 95 Y C 0.376 176.182 175.900 -0.156 0.000 1.018 95 Y CA -1.264 56.794 58.100 -0.070 0.000 1.050 95 Y CB 2.134 40.513 38.460 -0.135 0.000 1.280 95 Y HN 0.578 nan 8.280 nan 0.000 0.474 96 R N 1.715 122.173 120.500 -0.071 0.000 2.297 96 R HA 0.442 4.782 4.340 0.000 0.000 0.308 96 R C -0.274 175.899 176.300 -0.212 0.000 1.029 96 R CA -0.069 55.894 56.100 -0.229 0.000 0.929 96 R CB 0.404 30.353 30.300 -0.586 0.000 1.046 96 R HN 0.933 nan 8.270 nan 0.000 0.461 97 L N 3.353 124.486 121.223 -0.151 0.000 2.221 97 L HA 0.204 4.544 4.340 0.000 0.000 0.202 97 L C -0.048 176.743 176.870 -0.132 0.000 1.074 97 L CA 0.338 55.098 54.840 -0.134 0.000 0.795 97 L CB 0.441 42.452 42.059 -0.080 0.000 0.960 97 L HN 0.348 nan 8.230 nan 0.000 0.458 98 V N -1.002 118.834 119.914 -0.130 0.000 2.525 98 V HA 0.185 4.305 4.120 0.000 0.000 0.299 98 V C -1.011 175.042 176.094 -0.069 0.000 1.034 98 V CA -0.573 61.663 62.300 -0.107 0.000 0.863 98 V CB 1.539 33.275 31.823 -0.144 0.000 0.999 98 V HN 0.147 nan 8.190 nan 0.000 0.423 99 H N 4.413 123.382 119.070 -0.169 0.000 2.476 99 H HA 0.705 5.261 4.556 0.000 0.000 0.256 99 H C 0.753 176.043 175.328 -0.063 0.000 1.321 99 H CA 0.398 56.359 56.048 -0.145 0.000 1.056 99 H CB 0.038 29.689 29.762 -0.186 0.000 1.643 99 H HN 1.023 nan 8.280 nan 0.000 0.541 100 A N 0.469 123.218 122.820 -0.117 0.000 5.476 100 A HA -0.452 3.868 4.320 0.000 0.000 0.327 100 A C 1.995 179.539 177.584 -0.067 0.000 1.778 100 A CA 1.858 53.840 52.037 -0.092 0.000 0.721 100 A CB -1.310 17.629 19.000 -0.102 0.000 1.388 100 A HN 0.586 nan 8.150 nan 0.000 0.397 101 E N -0.624 119.526 120.200 -0.084 0.000 2.136 101 E HA -0.130 4.220 4.350 0.000 0.000 0.202 101 E C 2.079 178.578 176.600 -0.169 0.000 1.019 101 E CA 2.302 58.608 56.400 -0.156 0.000 0.819 101 E CB -0.767 28.705 29.700 -0.380 0.000 0.739 101 E HN 0.999 nan 8.360 nan 0.000 0.458 102 G N 0.071 108.780 108.800 -0.152 0.000 2.479 102 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 102 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 102 G C 0.843 175.748 174.900 0.008 0.000 1.115 102 G CA 1.026 46.104 45.100 -0.036 0.000 0.757 102 G HN 0.160 nan 8.290 nan 0.000 0.560 103 D N -0.130 120.276 120.400 0.010 0.000 2.440 103 D HA 0.216 4.857 4.640 0.000 0.000 0.216 103 D C 1.123 177.456 176.300 0.056 0.000 1.150 103 D CA -0.324 53.694 54.000 0.031 0.000 0.832 103 D CB 0.428 41.241 40.800 0.022 0.000 0.992 103 D HN 0.196 nan 8.370 nan 0.000 0.502 104 L N 0.392 121.645 121.223 0.050 0.000 3.717 104 L HA -0.233 4.107 4.340 0.000 0.000 0.411 104 L C -0.388 176.586 176.870 0.174 0.000 1.233 104 L CA 0.393 55.294 54.840 0.102 0.000 0.917 104 L CB -1.403 40.725 42.059 0.115 0.000 1.902 104 L HN 0.171 nan 8.230 nan 0.000 0.894 105 L N -0.435 120.882 121.223 0.157 0.000 2.594 105 L HA 0.389 4.729 4.340 0.000 0.000 0.245 105 L C -2.154 174.877 176.870 0.268 0.000 1.460 105 L CA -1.589 53.408 54.840 0.263 0.000 0.865 105 L CB 0.796 42.962 42.059 0.179 0.000 1.131 105 L HN -0.147 nan 8.230 nan 0.000 0.506 106 P HA 0.003 nan 4.420 nan 0.000 0.263 106 P C 1.079 178.588 177.300 0.348 0.000 1.175 106 P CA 0.943 64.203 63.100 0.267 0.000 0.761 106 P CB 0.699 32.558 31.700 0.265 0.000 0.794 107 G N 1.284 110.209 108.800 0.208 0.000 2.168 107 G HA2 -0.235 3.725 3.960 0.000 0.000 0.257 107 G HA3 -0.235 3.725 3.960 0.000 0.000 0.257 107 G C -0.369 174.525 174.900 -0.010 0.000 0.997 107 G CA 0.074 45.270 45.100 0.160 0.000 0.708 107 G HN 0.585 nan 8.290 nan 0.000 0.520 108 L N 0.213 121.327 121.223 -0.181 0.000 2.409 108 L HA 0.822 5.162 4.340 0.000 0.000 0.272 108 L C -0.589 176.098 176.870 -0.305 0.000 0.980 108 L CA -1.204 53.322 54.840 -0.523 0.000 0.826 108 L CB 2.437 43.760 42.059 -1.227 0.000 1.268 108 L HN 0.132 nan 8.230 nan 0.000 0.407 109 V N 5.446 125.209 119.914 -0.252 0.000 2.577 109 V HA 0.651 4.771 4.120 0.000 0.000 0.303 109 V C -0.963 175.044 176.094 -0.146 0.000 1.042 109 V CA -0.619 61.591 62.300 -0.150 0.000 0.872 109 V CB 2.138 33.917 31.823 -0.073 0.000 0.998 109 V HN 0.481 nan 8.190 nan 0.000 0.423 110 V N 3.764 123.601 119.914 -0.129 0.000 2.462 110 V HA 0.462 4.582 4.120 0.000 0.000 0.288 110 V C -0.947 175.098 176.094 -0.082 0.000 1.020 110 V CA -0.636 61.604 62.300 -0.100 0.000 0.857 110 V CB 1.777 33.530 31.823 -0.116 0.000 1.013 110 V HN 0.813 nan 8.190 nan 0.000 0.431 111 D N 2.524 122.884 120.400 -0.067 0.000 2.193 111 D HA 0.373 5.013 4.640 0.000 0.000 0.249 111 D C -0.898 175.306 176.300 -0.160 0.000 1.034 111 D CA -0.089 53.815 54.000 -0.159 0.000 0.902 111 D CB 2.140 42.800 40.800 -0.233 0.000 1.182 111 D HN 0.520 nan 8.370 nan 0.000 0.436 112 Y N 1.851 121.926 120.300 -0.374 0.000 2.328 112 Y HA 0.288 4.838 4.550 0.000 0.000 0.333 112 Y C -1.339 174.354 175.900 -0.346 0.000 0.958 112 Y CA -0.860 57.102 58.100 -0.230 0.000 1.167 112 Y CB 0.415 38.824 38.460 -0.084 0.000 1.151 112 Y HN 0.251 nan 8.280 nan 0.000 0.470 113 Y N 5.132 125.418 120.300 -0.023 0.000 2.806 113 Y HA 0.537 5.087 4.550 0.000 0.000 0.364 113 Y C 0.520 176.311 175.900 -0.181 0.000 1.101 113 Y CA -0.668 57.433 58.100 0.001 0.000 1.256 113 Y CB 0.285 38.752 38.460 0.011 0.000 1.363 113 Y HN 0.875 nan 8.280 nan 0.000 0.592 114 A N 0.807 123.541 122.820 -0.143 0.000 2.060 114 A HA 0.072 4.393 4.320 0.000 0.000 0.267 114 A C 1.569 178.836 177.584 -0.528 0.000 1.378 114 A CA 1.220 53.162 52.037 -0.159 0.000 0.733 114 A CB -1.625 17.400 19.000 0.041 0.000 1.188 114 A HN 1.727 nan 8.150 nan 0.000 0.311 115 G N 0.815 108.933 108.800 -1.136 0.000 2.396 115 G HA2 -0.298 3.662 3.960 0.000 0.000 0.242 115 G HA3 -0.298 3.662 3.960 0.000 0.000 0.242 115 G C 0.160 174.630 174.900 -0.717 0.000 1.069 115 G CA 0.708 45.355 45.100 -0.755 0.000 0.633 115 G HN 1.835 nan 8.290 nan 0.000 0.517 116 H N 1.833 120.710 119.070 -0.322 0.000 2.741 116 H HA 0.655 5.211 4.556 0.000 0.000 0.282 116 H C 0.829 176.113 175.328 -0.074 0.000 1.122 116 H CA 0.172 56.139 56.048 -0.135 0.000 1.293 116 H CB 0.670 30.399 29.762 -0.055 0.000 1.415 116 H HN 0.679 nan 8.280 nan 0.000 0.472 117 A N 3.130 125.970 122.820 0.032 0.000 2.351 117 A HA 0.435 4.755 4.320 0.000 0.000 0.257 117 A C 0.076 177.724 177.584 0.108 0.000 1.087 117 A CA -0.407 51.666 52.037 0.060 0.000 0.798 117 A CB 0.618 19.650 19.000 0.053 0.000 1.033 117 A HN 0.453 nan 8.150 nan 0.000 0.488 118 V N 2.772 122.748 119.914 0.103 0.000 2.462 118 V HA 0.275 4.395 4.120 0.000 0.000 0.288 118 V C -0.279 175.837 176.094 0.036 0.000 1.020 118 V CA -0.522 61.839 62.300 0.101 0.000 0.857 118 V CB 1.148 33.088 31.823 0.195 0.000 1.013 118 V HN 0.681 nan 8.190 nan 0.000 0.431 119 V N 4.161 124.077 119.914 0.003 0.000 2.686 119 V HA 0.486 4.606 4.120 0.000 0.000 0.295 119 V C 0.001 176.053 176.094 -0.070 0.000 1.057 119 V CA -0.224 62.043 62.300 -0.054 0.000 1.012 119 V CB 1.646 33.430 31.823 -0.065 0.000 1.006 119 V HN 0.947 nan 8.190 nan 0.000 0.477 120 Q N 2.173 121.901 119.800 -0.120 0.000 2.483 120 Q HA 0.600 4.940 4.340 0.000 0.000 0.245 120 Q C -0.893 175.010 176.000 -0.162 0.000 0.902 120 Q CA -0.373 55.360 55.803 -0.117 0.000 0.767 120 Q CB 1.557 30.248 28.738 -0.078 0.000 1.341 120 Q HN 0.944 nan 8.270 nan 0.000 0.453 121 A N 1.778 124.509 122.820 -0.147 0.000 2.301 121 A HA 0.549 4.869 4.320 0.000 0.000 0.298 121 A C 0.618 178.174 177.584 -0.047 0.000 1.185 121 A CA -0.032 51.934 52.037 -0.118 0.000 0.830 121 A CB 0.551 19.537 19.000 -0.024 0.000 1.112 121 A HN 0.752 nan 8.150 nan 0.000 0.508 122 T N -1.318 113.238 114.554 0.004 0.000 3.144 122 T HA 0.560 4.910 4.350 0.000 0.000 0.290 122 T C 0.188 174.928 174.700 0.067 0.000 0.966 122 T CA 0.566 62.675 62.100 0.016 0.000 0.907 122 T CB -0.020 68.845 68.868 -0.006 0.000 1.152 122 T HN 1.362 nan 8.240 nan 0.000 0.532 123 A N 0.522 123.432 122.820 0.151 0.000 2.330 123 A HA 0.650 4.970 4.320 0.000 0.000 0.313 123 A C 0.620 178.303 177.584 0.165 0.000 1.124 123 A CA -0.590 51.545 52.037 0.163 0.000 0.774 123 A CB 0.743 19.874 19.000 0.219 0.000 1.198 123 A HN 0.421 nan 8.150 nan 0.000 0.465 124 H N 2.906 122.002 119.070 0.044 0.000 2.362 124 H HA -0.271 4.285 4.556 0.000 0.000 0.294 124 H C 2.049 177.384 175.328 0.013 0.000 1.113 124 H CA 3.326 59.394 56.048 0.034 0.000 1.253 124 H CB 0.272 30.043 29.762 0.015 0.000 1.363 124 H HN 0.766 nan 8.280 nan 0.000 0.494 125 A N -0.487 122.362 122.820 0.050 0.000 2.019 125 A HA -0.171 4.149 4.320 0.000 0.000 0.219 125 A C 2.156 179.629 177.584 -0.185 0.000 1.164 125 A CA 1.334 53.305 52.037 -0.111 0.000 0.644 125 A CB -1.107 17.734 19.000 -0.266 0.000 0.805 125 A HN 0.704 nan 8.150 nan 0.000 0.449 126 W N -0.393 120.861 121.300 -0.077 0.000 2.381 126 W HA -0.082 4.579 4.660 0.000 0.000 0.301 126 W C 2.226 178.699 176.519 -0.076 0.000 1.205 126 W CA 1.047 58.344 57.345 -0.079 0.000 1.285 126 W CB -0.089 29.330 29.460 -0.068 0.000 1.133 126 W HN 0.433 nan 8.180 nan 0.000 0.521 127 E N 0.091 120.369 120.200 0.131 0.000 2.164 127 E HA -0.233 4.117 4.350 0.000 0.000 0.206 127 E C 2.202 178.830 176.600 0.046 0.000 1.032 127 E CA 2.174 58.601 56.400 0.045 0.000 0.832 127 E CB -0.870 28.765 29.700 -0.107 0.000 0.742 127 E HN 0.166 nan 8.360 nan 0.000 0.460 128 G N -1.100 107.704 108.800 0.006 0.000 2.813 128 G HA2 -0.001 3.959 3.960 0.000 0.000 0.209 128 G HA3 -0.001 3.959 3.960 0.000 0.000 0.209 128 G C 1.055 175.978 174.900 0.039 0.000 1.150 128 G CA 0.190 45.297 45.100 0.013 0.000 0.785 128 G HN 0.274 nan 8.290 nan 0.000 0.535 129 L N 0.317 121.594 121.223 0.089 0.000 2.728 129 L HA 0.353 4.693 4.340 0.000 0.000 0.238 129 L C 2.024 179.007 176.870 0.188 0.000 1.143 129 L CA -0.186 54.731 54.840 0.128 0.000 0.937 129 L CB 0.232 42.361 42.059 0.117 0.000 1.225 129 L HN 0.103 nan 8.230 nan 0.000 0.507 130 L N 0.443 121.759 121.223 0.156 0.000 2.187 130 L HA -0.161 4.179 4.340 0.000 0.000 0.213 130 L C -0.386 176.534 176.870 0.084 0.000 1.100 130 L CA 1.369 56.279 54.840 0.117 0.000 0.765 130 L CB -1.449 40.671 42.059 0.102 0.000 0.904 130 L HN 0.292 nan 8.230 nan 0.000 0.437 131 P HA -0.113 nan 4.420 nan 0.000 0.220 131 P C 1.388 178.723 177.300 0.058 0.000 1.152 131 P CA 0.921 64.053 63.100 0.053 0.000 0.812 131 P CB 0.153 31.877 31.700 0.040 0.000 0.792 132 Q N -0.915 118.930 119.800 0.076 0.000 2.123 132 Q HA -0.057 4.283 4.340 0.000 0.000 0.199 132 Q C 2.119 178.173 176.000 0.091 0.000 0.966 132 Q CA 1.014 56.864 55.803 0.079 0.000 0.845 132 Q CB -1.351 27.439 28.738 0.087 0.000 0.907 132 Q HN 0.029 nan 8.270 nan 0.000 0.439 133 V N 0.845 120.827 119.914 0.113 0.000 2.287 133 V HA -0.314 3.806 4.120 0.000 0.000 0.248 133 V C 2.154 178.274 176.094 0.044 0.000 1.053 133 V CA 1.924 64.269 62.300 0.074 0.000 1.027 133 V CB -1.061 30.771 31.823 0.015 0.000 0.646 133 V HN 0.453 nan 8.190 nan 0.000 0.447 134 A N -0.873 121.973 122.820 0.044 0.000 1.972 134 A HA -0.205 4.115 4.320 0.000 0.000 0.219 134 A C 2.179 179.788 177.584 0.042 0.000 1.169 134 A CA 1.591 53.652 52.037 0.039 0.000 0.635 134 A CB -0.420 18.603 19.000 0.038 0.000 0.810 134 A HN 0.501 nan 8.150 nan 0.000 0.446 135 E N -0.030 120.197 120.200 0.044 0.000 2.110 135 E HA -0.122 4.228 4.350 0.000 0.000 0.193 135 E C 2.193 178.819 176.600 0.043 0.000 0.988 135 E CA 1.265 57.687 56.400 0.037 0.000 0.804 135 E CB -0.506 29.216 29.700 0.037 0.000 0.745 135 E HN 0.579 nan 8.360 nan 0.000 0.458 136 A N 0.201 123.057 122.820 0.059 0.000 2.119 136 A HA -0.005 4.315 4.320 0.000 0.000 0.216 136 A C 2.168 179.824 177.584 0.119 0.000 1.152 136 A CA 0.483 52.567 52.037 0.079 0.000 0.708 136 A CB -0.258 18.790 19.000 0.080 0.000 0.805 136 A HN 0.170 nan 8.150 nan 0.000 0.460 137 L N -1.633 119.650 121.223 0.099 0.000 2.375 137 L HA 0.062 4.402 4.340 0.000 0.000 0.215 137 L C 2.533 179.468 176.870 0.108 0.000 1.108 137 L CA 0.480 55.403 54.840 0.137 0.000 0.830 137 L CB -0.337 41.774 42.059 0.088 0.000 0.959 137 L HN 0.423 nan 8.230 nan 0.000 0.457 138 R N 1.259 121.782 120.500 0.039 0.000 2.091 138 R HA -0.166 4.174 4.340 0.000 0.000 0.238 138 R C -0.623 175.629 176.300 -0.079 0.000 1.136 138 R CA 1.629 57.726 56.100 -0.006 0.000 0.959 138 R CB -1.056 29.236 30.300 -0.013 0.000 0.856 138 R HN 0.196 nan 8.270 nan 0.000 0.437 139 P HA -0.117 nan 4.420 nan 0.000 0.234 139 P C -0.138 176.754 177.300 -0.680 0.000 1.162 139 P CA 1.280 64.121 63.100 -0.431 0.000 0.759 139 P CB 0.024 31.406 31.700 -0.529 0.000 0.813 140 H N -3.636 115.454 119.070 0.034 0.000 3.580 140 H HA 0.170 4.727 4.556 0.000 0.000 0.245 140 H C 0.912 176.284 175.328 0.073 0.000 1.015 140 H CA 0.152 56.244 56.048 0.075 0.000 1.113 140 H CB 0.343 30.169 29.762 0.107 0.000 1.469 140 H HN -0.022 nan 8.280 nan 0.000 0.554 141 V N -0.002 119.978 119.914 0.110 0.000 3.096 141 V HA 0.321 4.442 4.120 0.000 0.000 0.319 141 V C 0.943 176.995 176.094 -0.070 0.000 1.082 141 V CA -0.554 61.738 62.300 -0.014 0.000 1.022 141 V CB 2.699 34.525 31.823 0.005 0.000 1.103 141 V HN 0.174 nan 8.190 nan 0.000 0.455 142 Q N 0.652 120.352 119.800 -0.167 0.000 2.317 142 Q HA 0.333 4.673 4.340 0.000 0.000 0.220 142 Q C 0.378 176.394 176.000 0.027 0.000 0.873 142 Q CA 0.611 56.342 55.803 -0.119 0.000 0.936 142 Q CB 0.646 29.215 28.738 -0.283 0.000 1.105 142 Q HN 1.164 nan 8.270 nan 0.000 0.520 143 S N -2.188 113.552 115.700 0.067 0.000 2.643 143 S HA 0.535 5.005 4.470 0.000 0.000 0.266 143 S C -1.362 173.301 174.600 0.105 0.000 1.130 143 S CA -0.850 57.430 58.200 0.133 0.000 0.817 143 S CB 1.697 65.037 63.200 0.234 0.000 1.107 143 S HN -0.073 nan 8.310 nan 0.000 0.471 144 V N 1.370 121.333 119.914 0.082 0.000 2.655 144 V HA 0.637 4.757 4.120 0.000 0.000 0.301 144 V C -1.299 174.829 176.094 0.058 0.000 1.082 144 V CA -0.513 61.827 62.300 0.066 0.000 0.899 144 V CB 1.414 33.267 31.823 0.050 0.000 1.014 144 V HN 0.986 nan 8.190 nan 0.000 0.429 145 L N 4.319 125.577 121.223 0.059 0.000 2.317 145 L HA 0.933 5.273 4.340 0.000 0.000 0.281 145 L C 0.336 177.237 176.870 0.051 0.000 1.024 145 L CA -0.207 54.663 54.840 0.051 0.000 0.810 145 L CB 1.640 43.724 42.059 0.041 0.000 1.240 145 L HN 0.791 nan 8.230 nan 0.000 0.427 146 A N 4.911 127.773 122.820 0.069 0.000 2.540 146 A HA 0.344 4.664 4.320 0.000 0.000 0.340 146 A C -0.028 177.574 177.584 0.030 0.000 1.424 146 A CA -0.547 51.531 52.037 0.069 0.000 0.940 146 A CB -0.296 18.803 19.000 0.166 0.000 1.149 146 A HN 0.693 nan 8.150 nan 0.000 0.505 147 K N 2.733 123.121 120.400 -0.020 0.000 2.222 147 K HA 0.132 4.452 4.320 0.000 0.000 0.243 147 K C -0.440 176.080 176.600 -0.134 0.000 1.160 147 K CA -0.250 56.005 56.287 -0.054 0.000 1.090 147 K CB -0.075 32.410 32.500 -0.025 0.000 1.694 147 K HN 0.604 nan 8.250 nan 0.000 0.361 148 N N 2.763 121.295 118.700 -0.279 0.000 2.558 148 N HA -0.028 4.713 4.740 0.000 0.000 0.281 148 N C -0.421 174.871 175.510 -0.364 0.000 1.219 148 N CA 0.075 52.882 53.050 -0.406 0.000 0.942 148 N CB 0.765 38.802 38.487 -0.751 0.000 1.241 148 N HN 0.589 nan 8.380 nan 0.000 0.511 149 D N -1.017 119.262 120.400 -0.201 0.000 2.349 149 D HA 0.033 4.673 4.640 0.000 0.000 0.214 149 D C 0.544 176.794 176.300 -0.083 0.000 1.063 149 D CA -0.275 53.650 54.000 -0.126 0.000 0.847 149 D CB -0.189 40.570 40.800 -0.068 0.000 0.933 149 D HN 0.041 nan 8.370 nan 0.000 0.513 150 A N 1.057 123.826 122.820 -0.086 0.000 2.580 150 A HA 0.019 4.339 4.320 0.000 0.000 0.244 150 A C 1.360 178.919 177.584 -0.042 0.000 1.045 150 A CA -0.141 51.864 52.037 -0.054 0.000 0.761 150 A CB -0.057 18.911 19.000 -0.053 0.000 0.962 150 A HN 0.114 nan 8.150 nan 0.000 0.512 151 R N 1.225 121.710 120.500 -0.024 0.000 2.249 151 R HA -0.121 4.219 4.340 0.000 0.000 0.230 151 R C 2.257 178.549 176.300 -0.013 0.000 1.121 151 R CA 1.950 58.042 56.100 -0.014 0.000 0.997 151 R CB -0.311 29.987 30.300 -0.004 0.000 0.867 151 R HN 0.976 nan 8.270 nan 0.000 0.465 152 T N -2.608 111.936 114.554 -0.017 0.000 2.915 152 T HA -0.083 4.267 4.350 0.000 0.000 0.269 152 T C 1.744 176.436 174.700 -0.014 0.000 1.071 152 T CA 0.704 62.794 62.100 -0.016 0.000 1.132 152 T CB -0.133 68.722 68.868 -0.021 0.000 0.878 152 T HN 0.222 nan 8.240 nan 0.000 0.479 153 R N 0.978 121.465 120.500 -0.022 0.000 2.189 153 R HA 0.029 4.370 4.340 0.000 0.000 0.223 153 R C 2.500 178.803 176.300 0.006 0.000 1.092 153 R CA 1.239 57.330 56.100 -0.015 0.000 0.989 153 R CB -0.149 30.122 30.300 -0.049 0.000 0.876 153 R HN 0.649 nan 8.270 nan 0.000 0.457 154 E N 0.576 120.777 120.200 0.001 0.000 2.106 154 E HA -0.160 4.190 4.350 0.000 0.000 0.192 154 E C 1.863 178.472 176.600 0.015 0.000 0.984 154 E CA 0.799 57.205 56.400 0.010 0.000 0.806 154 E CB -0.021 29.681 29.700 0.004 0.000 0.750 154 E HN 0.312 nan 8.360 nan 0.000 0.458 155 L N 1.151 122.380 121.223 0.011 0.000 2.191 155 L HA -0.155 4.185 4.340 0.000 0.000 0.212 155 L C 2.111 178.997 176.870 0.026 0.000 1.103 155 L CA 0.796 55.643 54.840 0.012 0.000 0.769 155 L CB -0.121 41.939 42.059 0.002 0.000 0.908 155 L HN 0.081 nan 8.230 nan 0.000 0.438 156 E N 0.029 120.256 120.200 0.044 0.000 2.481 156 E HA 0.010 4.360 4.350 0.000 0.000 0.195 156 E C 1.229 177.920 176.600 0.152 0.000 1.047 156 E CA 0.755 57.210 56.400 0.091 0.000 0.867 156 E CB 0.202 29.968 29.700 0.109 0.000 0.858 156 E HN 0.467 nan 8.360 nan 0.000 0.513 157 G N 1.493 110.353 108.800 0.100 0.000 2.248 157 G HA2 -0.256 3.704 3.960 0.000 0.000 0.263 157 G HA3 -0.256 3.704 3.960 0.000 0.000 0.263 157 G C -0.116 174.891 174.900 0.178 0.000 1.082 157 G CA 0.144 45.305 45.100 0.102 0.000 0.863 157 G HN 0.149 nan 8.290 nan 0.000 0.495 158 L N 0.632 121.923 121.223 0.114 0.000 2.354 158 L HA 0.628 4.968 4.340 0.000 0.000 0.269 158 L C -1.709 175.196 176.870 0.057 0.000 1.005 158 L CA -2.442 52.444 54.840 0.078 0.000 0.819 158 L CB 2.483 44.561 42.059 0.032 0.000 1.311 158 L HN 0.022 nan 8.230 nan 0.000 0.423 159 P HA 0.211 nan 4.420 nan 0.000 0.274 159 P C -1.237 176.105 177.300 0.070 0.000 1.231 159 P CA -0.322 62.848 63.100 0.117 0.000 0.790 159 P CB 1.043 32.860 31.700 0.196 0.000 0.951 160 L N 4.045 125.301 121.223 0.055 0.000 2.265 160 L HA 0.441 4.782 4.340 0.000 0.000 0.289 160 L C 0.077 176.979 176.870 0.053 0.000 1.033 160 L CA -0.609 54.211 54.840 -0.033 0.000 0.814 160 L CB 0.095 42.142 42.059 -0.018 0.000 1.203 160 L HN 0.549 nan 8.230 nan 0.000 0.423 161 Y N 2.204 122.503 120.300 -0.001 0.000 2.905 161 Y HA 0.840 5.390 4.550 0.000 0.000 0.322 161 Y C -1.404 174.494 175.900 -0.004 0.000 1.455 161 Y CA -1.425 56.674 58.100 -0.003 0.000 1.083 161 Y CB 1.439 39.897 38.460 -0.003 0.000 1.473 161 Y HN 0.034 nan 8.280 nan 0.000 0.449 162 V N 1.925 122.064 119.914 0.376 0.000 2.823 162 V HA 0.727 4.847 4.120 0.000 0.000 0.296 162 V C -1.316 174.915 176.094 0.230 0.000 1.250 162 V CA -0.794 61.640 62.300 0.223 0.000 0.939 162 V CB 2.004 33.869 31.823 0.070 0.000 1.062 162 V HN 1.045 nan 8.190 nan 0.000 0.433 163 R N 3.774 124.395 120.500 0.202 0.000 2.824 163 R HA 0.432 4.772 4.340 0.000 0.000 0.267 163 R C -3.402 172.945 176.300 0.080 0.000 1.035 163 R CA -1.500 54.662 56.100 0.103 0.000 0.887 163 R CB 1.600 31.933 30.300 0.054 0.000 1.262 163 R HN 0.409 nan 8.270 nan 0.000 0.487 164 P HA -0.009 nan 4.420 nan 0.000 0.266 164 P C 0.114 177.435 177.300 0.035 0.000 1.186 164 P CA -0.055 63.066 63.100 0.034 0.000 0.767 164 P CB 0.739 32.449 31.700 0.018 0.000 0.820 165 L N 0.934 122.180 121.223 0.039 0.000 3.135 165 L HA 0.400 4.740 4.340 0.000 0.000 0.279 165 L C 0.198 177.087 176.870 0.031 0.000 1.200 165 L CA -0.090 54.771 54.840 0.036 0.000 1.016 165 L CB 0.400 42.487 42.059 0.045 0.000 1.391 165 L HN 0.259 nan 8.230 nan 0.000 0.588 166 L N -0.298 120.944 121.223 0.031 0.000 2.765 166 L HA 0.638 4.978 4.340 0.000 0.000 0.254 166 L C 0.218 177.108 176.870 0.033 0.000 0.939 166 L CA 0.548 55.405 54.840 0.029 0.000 0.949 166 L CB 0.994 43.072 42.059 0.031 0.000 1.521 166 L HN 0.160 nan 8.230 nan 0.000 0.434 167 G N 3.110 111.926 108.800 0.027 0.000 2.606 167 G HA2 -0.223 3.737 3.960 0.000 0.000 0.285 167 G HA3 -0.223 3.737 3.960 0.000 0.000 0.285 167 G C -0.466 174.452 174.900 0.030 0.000 1.311 167 G CA 0.485 45.604 45.100 0.031 0.000 0.922 167 G HN 0.928 nan 8.290 nan 0.000 0.559 168 E N -0.910 119.311 120.200 0.034 0.000 2.151 168 E HA 0.494 4.844 4.350 0.000 0.000 0.275 168 E C -0.450 176.153 176.600 0.005 0.000 0.936 168 E CA -0.851 55.557 56.400 0.014 0.000 0.777 168 E CB 2.196 31.900 29.700 0.005 0.000 1.108 168 E HN 0.437 nan 8.360 nan 0.000 0.401 169 V N 4.674 124.566 119.914 -0.036 0.000 2.370 169 V HA 0.255 4.375 4.120 0.000 0.000 0.279 169 V C -1.357 174.626 176.094 -0.184 0.000 1.029 169 V CA -1.628 60.597 62.300 -0.124 0.000 0.870 169 V CB 0.501 32.285 31.823 -0.065 0.000 0.984 169 V HN 0.686 nan 8.190 nan 0.000 0.451 170 P HA 0.139 nan 4.420 nan 0.000 0.278 170 P C 0.443 177.639 177.300 -0.174 0.000 1.270 170 P CA -0.091 62.870 63.100 -0.232 0.000 0.800 170 P CB 1.347 32.867 31.700 -0.299 0.000 1.142 171 E N -0.688 119.436 120.200 -0.127 0.000 2.318 171 E HA 0.040 4.390 4.350 0.000 0.000 0.193 171 E C 0.788 177.322 176.600 -0.111 0.000 0.998 171 E CA 0.584 56.925 56.400 -0.099 0.000 0.859 171 E CB 0.336 29.994 29.700 -0.070 0.000 0.812 171 E HN 0.362 nan 8.360 nan 0.000 0.492 172 R N -0.817 119.607 120.500 -0.126 0.000 2.829 172 R HA 0.573 4.913 4.340 0.000 0.000 0.267 172 R C -1.625 174.601 176.300 -0.122 0.000 1.051 172 R CA -0.686 55.340 56.100 -0.122 0.000 0.927 172 R CB 2.218 32.463 30.300 -0.091 0.000 1.292 172 R HN -0.043 nan 8.270 nan 0.000 0.445 173 V N 0.375 120.229 119.914 -0.100 0.000 3.106 173 V HA 0.229 4.349 4.120 0.000 0.000 0.280 173 V C -1.891 174.148 176.094 -0.092 0.000 1.525 173 V CA -0.649 61.615 62.300 -0.060 0.000 0.999 173 V CB 2.467 34.304 31.823 0.022 0.000 1.186 173 V HN 0.730 nan 8.190 nan 0.000 0.448 174 Q N 2.697 122.448 119.800 -0.082 0.000 2.235 174 Q HA 0.740 5.080 4.340 0.000 0.000 0.250 174 Q C -1.054 174.831 176.000 -0.192 0.000 0.909 174 Q CA -0.592 55.126 55.803 -0.142 0.000 0.910 174 Q CB 2.203 30.892 28.738 -0.082 0.000 1.223 174 Q HN 0.680 nan 8.270 nan 0.000 0.432 175 V N 2.243 121.908 119.914 -0.414 0.000 2.555 175 V HA 0.166 4.286 4.120 0.000 0.000 0.302 175 V C -0.564 175.396 176.094 -0.223 0.000 1.038 175 V CA -0.835 61.228 62.300 -0.395 0.000 0.887 175 V CB 1.807 33.182 31.823 -0.746 0.000 0.991 175 V HN 0.654 nan 8.190 nan 0.000 0.434 176 Q N 3.108 122.899 119.800 -0.014 0.000 2.441 176 Q HA 0.207 4.548 4.340 0.000 0.000 0.234 176 Q C -0.125 175.965 176.000 0.149 0.000 1.078 176 Q CA 0.362 56.207 55.803 0.070 0.000 0.907 176 Q CB 0.511 29.296 28.738 0.078 0.000 1.269 176 Q HN 0.773 nan 8.270 nan 0.000 0.502 177 E N 3.555 123.888 120.200 0.222 0.000 2.079 177 E HA 0.417 4.767 4.350 0.000 0.000 0.252 177 E C 0.401 177.142 176.600 0.235 0.000 0.992 177 E CA 0.253 56.814 56.400 0.268 0.000 0.829 177 E CB -0.350 29.605 29.700 0.426 0.000 1.158 177 E HN 0.890 nan 8.360 nan 0.000 0.435 178 G N 4.646 113.546 108.800 0.167 0.000 2.687 178 G HA2 -0.392 3.568 3.960 0.000 0.000 0.303 178 G HA3 -0.392 3.568 3.960 0.000 0.000 0.303 178 G C 0.715 175.677 174.900 0.103 0.000 1.209 178 G CA 0.314 45.499 45.100 0.143 0.000 0.968 178 G HN 0.573 nan 8.290 nan 0.000 0.549 179 R N 0.431 120.986 120.500 0.092 0.000 2.546 179 R HA 0.519 4.859 4.340 0.000 0.000 0.320 179 R C 0.296 176.593 176.300 -0.005 0.000 1.021 179 R CA 0.632 56.758 56.100 0.044 0.000 1.088 179 R CB 0.957 31.287 30.300 0.049 0.000 1.278 179 R HN 0.932 nan 8.270 nan 0.000 0.557 180 V N -3.263 116.636 119.914 -0.025 0.000 3.182 180 V HA 0.647 4.767 4.120 0.000 0.000 0.308 180 V C -0.975 175.137 176.094 0.030 0.000 1.240 180 V CA -1.397 60.863 62.300 -0.066 0.000 1.063 180 V CB 2.507 34.165 31.823 -0.275 0.000 1.076 180 V HN -0.007 nan 8.190 nan 0.000 0.446 181 R N 0.337 120.867 120.500 0.050 0.000 2.771 181 R HA 0.803 5.143 4.340 0.000 0.000 0.274 181 R C -1.766 174.626 176.300 0.154 0.000 0.987 181 R CA -0.567 55.581 56.100 0.081 0.000 0.908 181 R CB 2.362 32.667 30.300 0.009 0.000 1.213 181 R HN 0.977 nan 8.270 nan 0.000 0.468 182 Y N -1.114 119.189 120.300 0.005 0.000 2.644 182 Y HA 0.678 5.228 4.550 0.000 0.000 0.338 182 Y C -1.471 174.429 175.900 -0.000 0.000 1.119 182 Y CA -1.414 56.684 58.100 -0.002 0.000 1.060 182 Y CB 1.334 39.799 38.460 0.008 0.000 1.294 182 Y HN 0.281 nan 8.280 nan 0.000 0.472 183 L N 2.756 124.020 121.223 0.068 0.000 2.334 183 L HA 0.813 5.153 4.340 0.000 0.000 0.272 183 L C -0.752 176.113 176.870 -0.008 0.000 1.020 183 L CA -1.444 53.374 54.840 -0.037 0.000 0.812 183 L CB 2.070 44.112 42.059 -0.029 0.000 1.264 183 L HN 0.711 nan 8.230 nan 0.000 0.439 184 V N -1.910 117.939 119.914 -0.110 0.000 2.709 184 V HA 0.475 4.595 4.120 0.000 0.000 0.308 184 V C -1.216 174.768 176.094 -0.184 0.000 1.062 184 V CA -0.840 61.351 62.300 -0.181 0.000 0.901 184 V CB 1.971 33.550 31.823 -0.406 0.000 1.003 184 V HN 0.625 nan 8.190 nan 0.000 0.425 185 D N 5.363 125.665 120.400 -0.163 0.000 2.479 185 D HA 0.307 4.947 4.640 0.000 0.000 0.218 185 D C 0.651 176.868 176.300 -0.139 0.000 1.131 185 D CA -0.091 53.832 54.000 -0.128 0.000 0.916 185 D CB 1.697 42.447 40.800 -0.083 0.000 1.022 185 D HN 0.602 nan 8.370 nan 0.000 0.515 186 L N 1.375 122.509 121.223 -0.150 0.000 2.873 186 L HA 0.085 4.425 4.340 0.000 0.000 0.252 186 L C 1.070 177.891 176.870 -0.081 0.000 1.266 186 L CA 0.172 54.941 54.840 -0.118 0.000 1.111 186 L CB -0.609 41.380 42.059 -0.117 0.000 1.440 186 L HN -0.062 nan 8.230 nan 0.000 0.427 187 R N -0.588 119.869 120.500 -0.071 0.000 2.543 187 R HA 0.435 4.775 4.340 0.000 0.000 0.268 187 R C 1.318 177.599 176.300 -0.030 0.000 1.067 187 R CA 0.252 56.323 56.100 -0.049 0.000 1.142 187 R CB 0.890 31.163 30.300 -0.045 0.000 1.110 187 R HN 0.164 nan 8.270 nan 0.000 0.549 188 A N 1.244 124.054 122.820 -0.017 0.000 1.824 188 A HA -0.077 4.244 4.320 0.000 0.000 0.215 188 A C 2.063 179.644 177.584 -0.005 0.000 1.209 188 A CA 1.731 53.766 52.037 -0.003 0.000 0.614 188 A CB -1.617 17.387 19.000 0.007 0.000 0.852 188 A HN 0.860 nan 8.150 nan 0.000 0.447 189 G N 0.756 109.554 108.800 -0.004 0.000 2.639 189 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 189 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 189 G C 0.811 175.708 174.900 -0.004 0.000 1.267 189 G CA 1.014 46.113 45.100 -0.001 0.000 0.801 189 G HN 0.784 nan 8.290 nan 0.000 0.592 190 Q N 1.660 121.455 119.800 -0.008 0.000 2.349 190 Q HA 0.116 4.457 4.340 0.000 0.000 0.287 190 Q C 0.157 176.147 176.000 -0.015 0.000 1.044 190 Q CA -0.309 55.490 55.803 -0.007 0.000 0.918 190 Q CB 0.515 29.245 28.738 -0.013 0.000 1.242 190 Q HN 0.484 nan 8.270 nan 0.000 0.405 191 K N 1.929 122.325 120.400 -0.006 0.000 2.319 191 K HA 0.072 4.392 4.320 0.000 0.000 0.265 191 K C -0.267 176.303 176.600 -0.050 0.000 1.000 191 K CA -0.112 56.161 56.287 -0.023 0.000 0.943 191 K CB -0.091 32.398 32.500 -0.018 0.000 0.950 191 K HN 0.523 nan 8.250 nan 0.000 0.485 192 T N 2.124 116.634 114.554 -0.073 0.000 4.036 192 T HA 0.047 4.397 4.350 0.000 0.000 0.251 192 T C 0.675 175.270 174.700 -0.174 0.000 0.981 192 T CA 0.613 62.626 62.100 -0.144 0.000 0.945 192 T CB -1.285 67.530 68.868 -0.089 0.000 1.186 192 T HN 0.684 nan 8.240 nan 0.000 0.658 193 G N 1.549 110.293 108.800 -0.093 0.000 2.420 193 G HA2 0.308 4.268 3.960 0.000 0.000 0.273 193 G HA3 0.308 4.268 3.960 0.000 0.000 0.273 193 G C 0.001 174.886 174.900 -0.024 0.000 0.671 193 G CA 0.131 45.224 45.100 -0.012 0.000 1.054 193 G HN 0.913 nan 8.290 nan 0.000 0.295 194 A N 3.162 125.910 122.820 -0.121 0.000 2.272 194 A HA 0.404 4.724 4.320 0.000 0.000 0.286 194 A C -0.987 176.498 177.584 -0.164 0.000 0.977 194 A CA -0.745 51.290 52.037 -0.004 0.000 0.822 194 A CB -0.118 19.012 19.000 0.217 0.000 0.955 194 A HN 0.806 nan 8.150 nan 0.000 0.349 195 Y N 3.941 124.282 120.300 0.067 0.000 2.907 195 Y HA 0.310 4.860 4.550 0.000 0.000 0.332 195 Y C 1.451 177.327 175.900 -0.038 0.000 1.211 195 Y CA -0.285 57.815 58.100 -0.000 0.000 1.387 195 Y CB 0.597 39.020 38.460 -0.060 0.000 1.396 195 Y HN 0.701 nan 8.280 nan 0.000 0.519 196 L N 0.363 121.668 121.223 0.136 0.000 2.351 196 L HA -0.253 4.087 4.340 0.000 0.000 0.220 196 L C 1.016 177.762 176.870 -0.206 0.000 1.127 196 L CA 1.244 56.108 54.840 0.039 0.000 0.786 196 L CB -0.192 41.958 42.059 0.151 0.000 0.914 196 L HN 0.586 nan 8.230 nan 0.000 0.443 197 D N -0.549 119.687 120.400 -0.274 0.000 2.144 197 D HA -0.196 4.444 4.640 0.000 0.000 0.199 197 D C 1.801 177.893 176.300 -0.347 0.000 0.984 197 D CA 0.942 54.629 54.000 -0.522 0.000 0.834 197 D CB -0.100 40.590 40.800 -0.183 0.000 0.955 197 D HN 0.313 nan 8.370 nan 0.000 0.465 198 Q N 0.147 119.811 119.800 -0.227 0.000 2.280 198 Q HA 0.115 4.455 4.340 0.000 0.000 0.202 198 Q C 1.558 177.335 176.000 -0.372 0.000 0.903 198 Q CA -0.154 55.487 55.803 -0.270 0.000 0.948 198 Q CB 0.613 29.257 28.738 -0.156 0.000 1.058 198 Q HN 0.365 nan 8.270 nan 0.000 0.493 199 R N 1.754 122.068 120.500 -0.309 0.000 2.082 199 R HA -0.166 4.174 4.340 0.000 0.000 0.234 199 R C 1.275 177.395 176.300 -0.299 0.000 1.136 199 R CA 1.692 57.616 56.100 -0.293 0.000 0.935 199 R CB 0.173 30.338 30.300 -0.224 0.000 0.842 199 R HN 0.270 nan 8.270 nan 0.000 0.430 200 E N -0.252 119.804 120.200 -0.241 0.000 2.347 200 E HA -0.088 4.262 4.350 0.000 0.000 0.196 200 E C 1.396 177.867 176.600 -0.215 0.000 1.008 200 E CA 0.417 56.712 56.400 -0.175 0.000 0.852 200 E CB 0.009 29.655 29.700 -0.089 0.000 0.783 200 E HN 0.439 nan 8.360 nan 0.000 0.505 201 N N 0.848 119.324 118.700 -0.373 0.000 2.395 201 N HA 0.002 4.742 4.740 0.000 0.000 0.175 201 N C 1.562 176.910 175.510 -0.270 0.000 1.029 201 N CA 0.427 53.148 53.050 -0.547 0.000 0.897 201 N CB 0.069 37.801 38.487 -1.259 0.000 0.991 201 N HN 0.145 nan 8.380 nan 0.000 0.441 202 R N 0.565 120.768 120.500 -0.494 0.000 2.090 202 R HA 0.142 4.482 4.340 0.000 0.000 0.228 202 R C 2.090 178.034 176.300 -0.593 0.000 1.110 202 R CA 0.546 56.202 56.100 -0.739 0.000 0.973 202 R CB -0.172 29.409 30.300 -1.198 0.000 0.869 202 R HN 0.162 nan 8.270 nan 0.000 0.440 203 L N -0.589 120.366 121.223 -0.447 0.000 2.141 203 L HA -0.188 4.152 4.340 0.000 0.000 0.209 203 L C 2.292 179.163 176.870 0.001 0.000 1.094 203 L CA 1.056 55.778 54.840 -0.197 0.000 0.763 203 L CB -0.500 41.509 42.059 -0.082 0.000 0.908 203 L HN 0.185 nan 8.230 nan 0.000 0.437 204 Y N 0.555 120.828 120.300 -0.045 0.000 2.181 204 Y HA -0.252 4.299 4.550 0.000 0.000 0.288 204 Y C 2.591 178.617 175.900 0.210 0.000 1.146 204 Y CA 1.436 59.581 58.100 0.076 0.000 1.164 204 Y CB -0.036 38.492 38.460 0.113 0.000 0.982 204 Y HN 0.055 nan 8.280 nan 0.000 0.515 205 M N 0.429 120.226 119.600 0.329 0.000 2.539 205 M HA -0.184 4.296 4.480 0.000 0.000 0.261 205 M C 1.489 178.003 176.300 0.358 0.000 1.069 205 M CA 1.301 56.879 55.300 0.464 0.000 1.081 205 M CB -0.990 31.913 32.600 0.506 0.000 1.412 205 M HN 0.443 nan 8.290 nan 0.000 0.482 206 E N 0.303 120.607 120.200 0.173 0.000 2.347 206 E HA -0.148 4.203 4.350 0.000 0.000 0.196 206 E C 1.799 178.424 176.600 0.041 0.000 1.008 206 E CA 0.393 56.888 56.400 0.158 0.000 0.852 206 E CB -0.080 29.705 29.700 0.142 0.000 0.783 206 E HN 0.607 nan 8.360 nan 0.000 0.505 207 R N 0.266 120.670 120.500 -0.160 0.000 2.323 207 R HA 0.032 4.372 4.340 0.000 0.000 0.198 207 R C -0.061 175.986 176.300 -0.422 0.000 0.988 207 R CA 0.189 56.072 56.100 -0.362 0.000 1.041 207 R CB -0.106 29.822 30.300 -0.621 0.000 0.926 207 R HN -0.101 nan 8.270 nan 0.000 0.476 208 F N 1.760 121.749 119.950 0.066 0.000 2.399 208 F HA 0.470 4.997 4.527 0.000 0.000 0.334 208 F C 0.582 176.443 175.800 0.101 0.000 1.097 208 F CA -0.906 57.183 58.000 0.147 0.000 1.076 208 F CB 1.029 40.212 39.000 0.306 0.000 1.162 208 F HN -0.197 nan 8.300 nan 0.000 0.495 209 R N 1.351 121.881 120.500 0.050 0.000 2.854 209 R HA 0.911 5.252 4.340 0.000 0.000 0.271 209 R C -0.156 175.646 176.300 -0.829 0.000 0.996 209 R CA -1.322 54.543 56.100 -0.392 0.000 0.961 209 R CB 1.374 31.557 30.300 -0.194 0.000 1.182 209 R HN 0.871 nan 8.270 nan 0.000 0.479 210 G N 0.100 108.193 108.800 -1.179 0.000 2.337 210 G HA2 0.081 4.041 3.960 0.000 0.000 0.298 210 G HA3 0.081 4.041 3.960 0.000 0.000 0.298 210 G C -0.420 174.191 174.900 -0.482 0.000 1.335 210 G CA -0.530 44.095 45.100 -0.793 0.000 0.875 210 G HN 0.285 nan 8.290 nan 0.000 0.579 211 E N 0.229 120.429 120.200 0.001 0.000 2.022 211 E HA 0.095 4.445 4.350 0.000 0.000 0.193 211 E C 0.880 177.695 176.600 0.359 0.000 0.969 211 E CA 0.619 57.093 56.400 0.124 0.000 0.834 211 E CB -0.058 29.685 29.700 0.073 0.000 0.798 211 E HN 0.482 nan 8.360 nan 0.000 0.467 212 R N 0.431 121.135 120.500 0.339 0.000 2.368 212 R HA 0.641 4.981 4.340 0.000 0.000 0.302 212 R C -0.494 176.033 176.300 0.379 0.000 1.002 212 R CA -0.343 55.947 56.100 0.316 0.000 0.929 212 R CB 1.623 31.963 30.300 0.067 0.000 1.073 212 R HN 0.089 nan 8.270 nan 0.000 0.464 213 A N 2.998 125.922 122.820 0.174 0.000 2.393 213 A HA 0.516 4.836 4.320 0.000 0.000 0.306 213 A C -1.443 176.109 177.584 -0.052 0.000 1.050 213 A CA -0.697 51.220 52.037 -0.199 0.000 0.724 213 A CB 1.422 19.904 19.000 -0.863 0.000 1.248 213 A HN 0.546 nan 8.150 nan 0.000 0.424 214 L N 2.206 123.282 121.223 -0.245 0.000 2.324 214 L HA 0.511 4.851 4.340 0.000 0.000 0.274 214 L C -0.821 175.879 176.870 -0.285 0.000 1.012 214 L CA -0.216 54.401 54.840 -0.372 0.000 0.859 214 L CB 1.210 42.657 42.059 -1.020 0.000 1.224 214 L HN 0.653 nan 8.230 nan 0.000 0.429 215 D N 4.008 124.312 120.400 -0.159 0.000 2.422 215 D HA 0.249 4.889 4.640 0.000 0.000 0.227 215 D C -0.493 175.761 176.300 -0.077 0.000 1.190 215 D CA -0.027 53.916 54.000 -0.095 0.000 0.905 215 D CB 0.638 41.447 40.800 0.015 0.000 1.034 215 D HN 0.282 nan 8.370 nan 0.000 0.507 216 V N 4.405 124.265 119.914 -0.089 0.000 2.686 216 V HA 0.277 4.397 4.120 0.000 0.000 0.295 216 V C 0.489 176.659 176.094 0.127 0.000 1.057 216 V CA -0.632 61.621 62.300 -0.079 0.000 1.012 216 V CB 0.226 31.995 31.823 -0.090 0.000 1.006 216 V HN 0.637 nan 8.190 nan 0.000 0.477 217 F N 2.223 122.118 119.950 -0.091 0.000 2.983 217 F HA -0.227 4.301 4.527 0.000 0.000 0.288 217 F C 1.686 177.495 175.800 0.014 0.000 0.980 217 F CA 0.810 58.773 58.000 -0.061 0.000 0.965 217 F CB -1.730 37.194 39.000 -0.126 0.000 0.967 217 F HN 0.673 nan 8.300 nan 0.000 0.800 218 S N -1.481 114.319 115.700 0.166 0.000 2.501 218 S HA 0.104 4.574 4.470 0.000 0.000 0.220 218 S C 1.095 175.878 174.600 0.305 0.000 0.997 218 S CA 0.647 58.977 58.200 0.217 0.000 0.919 218 S CB 0.086 63.371 63.200 0.142 0.000 0.778 218 S HN 0.819 nan 8.310 nan 0.000 0.523 219 Y N 1.756 122.119 120.300 0.105 0.000 2.865 219 Y HA -0.491 4.059 4.550 0.000 0.000 0.468 219 Y C 1.495 177.447 175.900 0.086 0.000 1.176 219 Y CA 0.938 59.110 58.100 0.119 0.000 2.599 219 Y CB -1.619 36.963 38.460 0.205 0.000 1.207 219 Y HN 0.364 nan 8.280 nan 0.000 0.627 220 A N 1.311 123.965 122.820 -0.278 0.000 2.276 220 A HA 0.453 4.773 4.320 0.000 0.000 0.212 220 A C 1.694 179.245 177.584 -0.055 0.000 1.230 220 A CA 1.196 53.060 52.037 -0.288 0.000 0.844 220 A CB -1.504 17.270 19.000 -0.377 0.000 0.860 220 A HN 2.188 nan 8.150 nan 0.000 0.486 221 G N -1.572 107.256 108.800 0.046 0.000 2.198 221 G HA2 -0.167 3.793 3.960 0.000 0.000 0.257 221 G HA3 -0.167 3.793 3.960 0.000 0.000 0.257 221 G C 1.136 176.081 174.900 0.074 0.000 1.042 221 G CA 0.516 45.660 45.100 0.074 0.000 0.791 221 G HN 1.217 nan 8.290 nan 0.000 0.502 222 G N -0.297 108.536 108.800 0.055 0.000 2.440 222 G HA2 -0.046 3.914 3.960 0.000 0.000 0.218 222 G HA3 -0.046 3.914 3.960 0.000 0.000 0.218 222 G C 1.425 176.329 174.900 0.007 0.000 1.154 222 G CA 1.587 46.654 45.100 -0.055 0.000 0.767 222 G HN 0.486 nan 8.290 nan 0.000 0.552 223 F N 1.520 121.538 119.950 0.113 0.000 2.163 223 F HA 0.195 4.722 4.527 0.000 0.000 0.297 223 F C 2.998 178.875 175.800 0.128 0.000 1.094 223 F CA 0.721 58.791 58.000 0.117 0.000 1.290 223 F CB -0.405 38.635 39.000 0.066 0.000 1.017 223 F HN 0.231 nan 8.300 nan 0.000 0.483 224 A N 0.429 123.397 122.820 0.247 0.000 1.908 224 A HA -0.171 4.150 4.320 0.000 0.000 0.218 224 A C 2.242 179.899 177.584 0.123 0.000 1.181 224 A CA 1.624 53.750 52.037 0.148 0.000 0.627 224 A CB -1.175 17.883 19.000 0.096 0.000 0.818 224 A HN 0.390 nan 8.150 nan 0.000 0.445 225 L N -1.380 119.893 121.223 0.083 0.000 2.042 225 L HA -0.221 4.119 4.340 0.000 0.000 0.210 225 L C 2.617 179.465 176.870 -0.036 0.000 1.076 225 L CA 1.501 56.337 54.840 -0.008 0.000 0.749 225 L CB -0.970 41.032 42.059 -0.096 0.000 0.893 225 L HN 0.505 nan 8.230 nan 0.000 0.432 226 H N -0.202 118.911 119.070 0.071 0.000 2.395 226 H HA -0.023 4.533 4.556 0.000 0.000 0.299 226 H C 2.420 177.840 175.328 0.154 0.000 1.070 226 H CA 1.164 57.269 56.048 0.095 0.000 1.356 226 H CB 0.175 29.982 29.762 0.076 0.000 1.401 226 H HN 0.328 nan 8.280 nan 0.000 0.524 227 L N 0.345 121.741 121.223 0.289 0.000 2.156 227 L HA -0.046 4.294 4.340 0.000 0.000 0.208 227 L C 2.834 179.876 176.870 0.288 0.000 1.095 227 L CA 0.646 55.650 54.840 0.275 0.000 0.770 227 L CB -0.329 41.796 42.059 0.109 0.000 0.914 227 L HN 0.177 nan 8.230 nan 0.000 0.439 228 A N 0.171 123.106 122.820 0.191 0.000 2.024 228 A HA -0.159 4.161 4.320 0.000 0.000 0.220 228 A C 2.163 179.844 177.584 0.161 0.000 1.164 228 A CA 1.266 53.403 52.037 0.167 0.000 0.643 228 A CB -0.658 18.402 19.000 0.101 0.000 0.806 228 A HN 0.419 nan 8.150 nan 0.000 0.451 229 L N -1.651 119.663 121.223 0.151 0.000 2.362 229 L HA -0.023 4.318 4.340 0.000 0.000 0.219 229 L C 2.060 179.004 176.870 0.123 0.000 1.134 229 L CA 0.945 55.854 54.840 0.115 0.000 0.807 229 L CB -0.281 41.836 42.059 0.097 0.000 0.927 229 L HN 0.516 nan 8.230 nan 0.000 0.447 230 G N -1.819 107.098 108.800 0.196 0.000 3.443 230 G HA2 0.215 4.175 3.960 0.000 0.000 0.252 230 G HA3 0.215 4.175 3.960 0.000 0.000 0.252 230 G C -0.191 174.706 174.900 -0.004 0.000 1.015 230 G CA -0.158 45.007 45.100 0.108 0.000 0.891 230 G HN 0.005 nan 8.290 nan 0.000 0.510 231 F N -0.054 119.949 119.950 0.088 0.000 2.520 231 F HA 0.608 5.135 4.527 0.000 0.000 0.322 231 F C 1.174 177.015 175.800 0.068 0.000 1.103 231 F CA -1.249 56.803 58.000 0.086 0.000 0.926 231 F CB 2.380 41.444 39.000 0.106 0.000 1.154 231 F HN -0.108 nan 8.300 nan 0.000 0.453 232 R N 1.699 122.305 120.500 0.176 0.000 2.122 232 R HA -0.159 4.182 4.340 0.000 0.000 0.236 232 R C 0.174 176.564 176.300 0.149 0.000 1.129 232 R CA 1.942 58.115 56.100 0.122 0.000 0.925 232 R CB -0.180 30.171 30.300 0.085 0.000 0.850 232 R HN 0.735 nan 8.270 nan 0.000 0.431 233 E N -0.927 119.387 120.200 0.189 0.000 2.256 233 E HA 0.479 4.829 4.350 0.000 0.000 0.267 233 E C -1.532 175.175 176.600 0.179 0.000 0.892 233 E CA -0.948 55.544 56.400 0.154 0.000 0.775 233 E CB 1.878 31.645 29.700 0.113 0.000 1.207 233 E HN 0.001 nan 8.360 nan 0.000 0.420 234 V N 3.113 123.103 119.914 0.126 0.000 2.709 234 V HA 0.343 4.464 4.120 0.000 0.000 0.308 234 V C -0.742 175.396 176.094 0.075 0.000 1.062 234 V CA -0.829 61.522 62.300 0.085 0.000 0.901 234 V CB 1.998 33.866 31.823 0.074 0.000 1.003 234 V HN 0.580 nan 8.190 nan 0.000 0.425 235 V N 3.534 123.484 119.914 0.060 0.000 2.313 235 V HA 0.507 4.627 4.120 0.000 0.000 0.262 235 V C 0.650 176.745 176.094 0.002 0.000 1.011 235 V CA -0.615 61.714 62.300 0.049 0.000 0.858 235 V CB 1.137 33.019 31.823 0.097 0.000 1.104 235 V HN 0.998 nan 8.190 nan 0.000 0.456 236 A N 3.524 126.350 122.820 0.010 0.000 2.548 236 A HA 0.495 4.815 4.320 0.000 0.000 0.247 236 A C -0.049 177.522 177.584 -0.022 0.000 1.067 236 A CA 0.422 52.461 52.037 0.003 0.000 0.757 236 A CB 0.249 19.265 19.000 0.026 0.000 0.996 236 A HN 0.588 nan 8.150 nan 0.000 0.504 237 V N 2.945 122.826 119.914 -0.054 0.000 2.769 237 V HA 0.718 4.838 4.120 0.000 0.000 0.312 237 V C -0.222 175.806 176.094 -0.110 0.000 1.061 237 V CA -0.282 61.959 62.300 -0.099 0.000 0.931 237 V CB 2.101 33.821 31.823 -0.171 0.000 1.010 237 V HN 1.159 nan 8.190 nan 0.000 0.433 238 D N 0.934 121.268 120.400 -0.110 0.000 2.738 238 D HA 0.382 5.022 4.640 0.000 0.000 0.308 238 D C 0.432 176.692 176.300 -0.068 0.000 1.311 238 D CA -0.237 53.713 54.000 -0.083 0.000 0.799 238 D CB 1.800 42.615 40.800 0.024 0.000 1.332 238 D HN 0.301 nan 8.370 nan 0.000 0.441 239 S N -0.815 114.872 115.700 -0.021 0.000 2.384 239 S HA 0.114 4.585 4.470 0.000 0.000 0.217 239 S C 0.624 175.243 174.600 0.031 0.000 1.041 239 S CA 0.027 58.229 58.200 0.003 0.000 0.948 239 S CB 0.075 63.296 63.200 0.034 0.000 0.872 239 S HN 0.385 nan 8.310 nan 0.000 0.512 240 S N 1.842 117.581 115.700 0.065 0.000 2.466 240 S HA 0.375 4.845 4.470 0.000 0.000 0.286 240 S C 1.085 175.710 174.600 0.043 0.000 1.221 240 S CA -0.041 58.200 58.200 0.069 0.000 1.091 240 S CB 0.687 63.956 63.200 0.115 0.000 0.956 240 S HN 0.419 nan 8.310 nan 0.000 0.501 241 A N 4.336 127.170 122.820 0.024 0.000 2.024 241 A HA -0.110 4.210 4.320 0.000 0.000 0.220 241 A C 1.946 179.530 177.584 -0.000 0.000 1.164 241 A CA 1.768 53.810 52.037 0.008 0.000 0.643 241 A CB -0.562 18.441 19.000 0.006 0.000 0.806 241 A HN 0.918 nan 8.150 nan 0.000 0.451 242 E N -0.230 119.975 120.200 0.008 0.000 2.150 242 E HA -0.063 4.287 4.350 0.000 0.000 0.193 242 E C 2.048 178.624 176.600 -0.041 0.000 0.985 242 E CA 0.935 57.331 56.400 -0.006 0.000 0.814 242 E CB -0.224 29.484 29.700 0.015 0.000 0.752 242 E HN 0.583 nan 8.360 nan 0.000 0.466 243 A N 0.506 123.309 122.820 -0.030 0.000 1.841 243 A HA -0.136 4.184 4.320 0.000 0.000 0.214 243 A C 2.042 179.548 177.584 -0.131 0.000 1.195 243 A CA 1.215 53.175 52.037 -0.129 0.000 0.611 243 A CB -0.725 18.292 19.000 0.028 0.000 0.835 243 A HN 0.256 nan 8.150 nan 0.000 0.443 244 L N -0.121 121.070 121.223 -0.053 0.000 2.129 244 L HA -0.183 4.158 4.340 0.000 0.000 0.212 244 L C 2.550 179.391 176.870 -0.049 0.000 1.087 244 L CA 2.083 56.898 54.840 -0.042 0.000 0.757 244 L CB -0.673 41.374 42.059 -0.020 0.000 0.896 244 L HN 0.499 nan 8.230 nan 0.000 0.434 245 R N 0.036 120.506 120.500 -0.051 0.000 2.073 245 R HA -0.178 4.162 4.340 0.000 0.000 0.234 245 R C 2.456 178.721 176.300 -0.059 0.000 1.134 245 R CA 1.373 57.447 56.100 -0.044 0.000 0.952 245 R CB -0.138 30.140 30.300 -0.037 0.000 0.850 245 R HN 0.103 nan 8.270 nan 0.000 0.433 246 R N 0.007 120.450 120.500 -0.096 0.000 2.159 246 R HA -0.069 4.271 4.340 0.000 0.000 0.237 246 R C 2.030 178.276 176.300 -0.090 0.000 1.131 246 R CA 1.465 57.499 56.100 -0.111 0.000 0.982 246 R CB -0.258 29.921 30.300 -0.201 0.000 0.868 246 R HN 0.412 nan 8.270 nan 0.000 0.453 247 A N 0.617 123.384 122.820 -0.088 0.000 1.854 247 A HA -0.161 4.159 4.320 0.000 0.000 0.214 247 A C 1.845 179.415 177.584 -0.024 0.000 1.192 247 A CA 1.468 53.475 52.037 -0.051 0.000 0.611 247 A CB -0.418 18.559 19.000 -0.039 0.000 0.832 247 A HN 0.392 nan 8.150 nan 0.000 0.442 248 E N -0.470 119.717 120.200 -0.022 0.000 2.118 248 E HA -0.246 4.104 4.350 0.000 0.000 0.195 248 E C 2.014 178.608 176.600 -0.010 0.000 0.992 248 E CA 1.328 57.722 56.400 -0.010 0.000 0.804 248 E CB -0.167 29.527 29.700 -0.010 0.000 0.741 248 E HN 0.809 nan 8.360 nan 0.000 0.458 249 E N 0.798 120.987 120.200 -0.018 0.000 2.072 249 E HA -0.175 4.176 4.350 0.000 0.000 0.191 249 E C 1.902 178.498 176.600 -0.007 0.000 0.985 249 E CA 0.834 57.225 56.400 -0.015 0.000 0.801 249 E CB 0.139 29.824 29.700 -0.025 0.000 0.750 249 E HN 0.138 nan 8.360 nan 0.000 0.452 250 N N 0.163 118.860 118.700 -0.004 0.000 2.309 250 N HA -0.104 4.636 4.740 0.000 0.000 0.182 250 N C 1.533 177.051 175.510 0.013 0.000 1.018 250 N CA 0.962 54.021 53.050 0.015 0.000 0.876 250 N CB -0.094 38.409 38.487 0.027 0.000 0.972 250 N HN 0.202 nan 8.380 nan 0.000 0.434 251 A N 2.455 125.279 122.820 0.006 0.000 1.835 251 A HA -0.188 4.133 4.320 0.000 0.000 0.215 251 A C 2.219 179.808 177.584 0.009 0.000 1.199 251 A CA 1.695 53.737 52.037 0.010 0.000 0.615 251 A CB -0.640 18.367 19.000 0.011 0.000 0.838 251 A HN 0.456 nan 8.150 nan 0.000 0.444 252 R N -0.340 120.163 120.500 0.006 0.000 2.105 252 R HA -0.102 4.239 4.340 0.000 0.000 0.239 252 R C 1.862 178.164 176.300 0.004 0.000 1.135 252 R CA 1.730 57.833 56.100 0.005 0.000 0.967 252 R CB -0.954 29.347 30.300 0.002 0.000 0.861 252 R HN 0.393 nan 8.270 nan 0.000 0.442 253 L N 1.674 122.899 121.223 0.003 0.000 2.349 253 L HA -0.090 4.251 4.340 0.000 0.000 0.220 253 L C 1.017 177.889 176.870 0.005 0.000 1.130 253 L CA 1.682 56.523 54.840 0.003 0.000 0.791 253 L CB -0.385 41.676 42.059 0.004 0.000 0.918 253 L HN 0.285 nan 8.230 nan 0.000 0.444 254 N N -0.478 118.226 118.700 0.006 0.000 2.322 254 N HA 0.146 4.886 4.740 0.000 0.000 0.181 254 N C 1.100 176.613 175.510 0.006 0.000 1.088 254 N CA 0.860 53.912 53.050 0.004 0.000 0.885 254 N CB 0.626 39.112 38.487 -0.002 0.000 1.013 254 N HN 0.421 nan 8.380 nan 0.000 0.472 255 G N 1.379 110.184 108.800 0.008 0.000 2.165 255 G HA2 -0.211 3.749 3.960 0.000 0.000 0.226 255 G HA3 -0.211 3.749 3.960 0.000 0.000 0.226 255 G C -0.366 174.543 174.900 0.014 0.000 1.035 255 G CA -0.273 44.833 45.100 0.010 0.000 0.744 255 G HN 0.170 nan 8.290 nan 0.000 0.501 256 L N 0.339 121.571 121.223 0.016 0.000 2.272 256 L HA 0.642 4.982 4.340 0.000 0.000 0.289 256 L C 1.530 178.415 176.870 0.024 0.000 1.032 256 L CA 0.006 54.860 54.840 0.023 0.000 0.810 256 L CB 1.557 43.631 42.059 0.026 0.000 1.205 256 L HN 0.163 nan 8.230 nan 0.000 0.422 257 G N 1.577 110.394 108.800 0.028 0.000 2.709 257 G HA2 -0.125 3.836 3.960 0.000 0.000 0.208 257 G HA3 -0.125 3.836 3.960 0.000 0.000 0.208 257 G C 0.821 175.741 174.900 0.035 0.000 1.129 257 G CA -0.172 44.944 45.100 0.027 0.000 0.793 257 G HN 0.701 nan 8.290 nan 0.000 0.524 258 N N 1.236 119.963 118.700 0.045 0.000 2.683 258 N HA 0.087 4.827 4.740 0.000 0.000 0.256 258 N C -0.512 175.038 175.510 0.065 0.000 1.270 258 N CA 0.027 53.112 53.050 0.059 0.000 0.954 258 N CB 0.592 39.124 38.487 0.074 0.000 1.289 258 N HN 0.026 nan 8.380 nan 0.000 0.508 259 V N 1.260 121.205 119.914 0.051 0.000 2.462 259 V HA 0.191 4.311 4.120 0.000 0.000 0.257 259 V C 0.113 176.229 176.094 0.037 0.000 0.944 259 V CA -0.917 61.412 62.300 0.048 0.000 0.903 259 V CB -0.050 31.799 31.823 0.043 0.000 1.128 259 V HN 0.432 nan 8.190 nan 0.000 0.486 260 R N 1.781 122.305 120.500 0.040 0.000 2.438 260 R HA 0.671 5.011 4.340 0.000 0.000 0.287 260 R C 0.013 176.328 176.300 0.025 0.000 1.077 260 R CA -0.439 55.679 56.100 0.030 0.000 1.034 260 R CB 1.300 31.620 30.300 0.034 0.000 0.993 260 R HN 0.365 nan 8.270 nan 0.000 0.459 261 V N 1.058 120.980 119.914 0.015 0.000 3.369 261 V HA 0.670 4.790 4.120 0.000 0.000 0.309 261 V C -0.429 175.666 176.094 0.002 0.000 1.069 261 V CA -1.078 61.226 62.300 0.006 0.000 1.042 261 V CB 1.297 33.119 31.823 -0.002 0.000 1.192 261 V HN 0.747 nan 8.190 nan 0.000 0.447 262 L N 0.914 122.132 121.223 -0.010 0.000 2.845 262 L HA 0.465 4.806 4.340 0.000 0.000 0.253 262 L C -0.607 176.244 176.870 -0.031 0.000 0.959 262 L CA -0.235 54.596 54.840 -0.015 0.000 1.001 262 L CB 1.122 43.174 42.059 -0.012 0.000 1.374 262 L HN 1.039 nan 8.230 nan 0.000 0.469 263 E N 3.561 123.747 120.200 -0.024 0.000 2.360 263 E HA 0.684 5.034 4.350 0.000 0.000 0.269 263 E C -0.450 176.128 176.600 -0.037 0.000 1.022 263 E CA 0.566 56.949 56.400 -0.028 0.000 0.887 263 E CB 0.885 30.577 29.700 -0.014 0.000 0.990 263 E HN 0.942 nan 8.360 nan 0.000 0.426 264 A N 3.827 126.614 122.820 -0.054 0.000 2.437 264 A HA 0.154 4.474 4.320 0.000 0.000 0.296 264 A C -1.522 176.008 177.584 -0.090 0.000 0.974 264 A CA -0.704 51.298 52.037 -0.058 0.000 0.592 264 A CB 0.394 19.358 19.000 -0.060 0.000 1.405 264 A HN 0.658 nan 8.150 nan 0.000 0.478 265 N N 0.537 119.197 118.700 -0.067 0.000 2.462 265 N HA 0.519 5.259 4.740 0.000 0.000 0.242 265 N C 1.079 176.503 175.510 -0.142 0.000 1.010 265 N CA 0.522 53.532 53.050 -0.066 0.000 0.939 265 N CB 1.419 39.926 38.487 0.034 0.000 1.127 265 N HN 1.301 nan 8.380 nan 0.000 0.509 266 A N 3.706 126.308 122.820 -0.363 0.000 1.971 266 A HA -0.217 4.103 4.320 0.000 0.000 0.222 266 A C 1.451 178.817 177.584 -0.364 0.000 1.182 266 A CA 1.484 53.211 52.037 -0.516 0.000 0.649 266 A CB -0.950 17.419 19.000 -1.052 0.000 0.818 266 A HN 0.725 nan 8.150 nan 0.000 0.458 267 F N 0.220 120.134 119.950 -0.061 0.000 2.293 267 F HA -0.097 4.430 4.527 0.000 0.000 0.300 267 F C 1.903 177.682 175.800 -0.036 0.000 1.086 267 F CA 1.495 59.479 58.000 -0.028 0.000 1.375 267 F CB -0.240 38.742 39.000 -0.030 0.000 1.045 267 F HN 0.233 nan 8.300 nan 0.000 0.516 268 D N -0.604 119.859 120.400 0.104 0.000 2.259 268 D HA -0.031 4.610 4.640 0.000 0.000 0.216 268 D C 2.221 178.528 176.300 0.012 0.000 0.961 268 D CA 0.434 54.466 54.000 0.054 0.000 0.878 268 D CB -0.723 40.101 40.800 0.039 0.000 1.009 268 D HN 0.156 nan 8.370 nan 0.000 0.490 269 L N 0.644 121.850 121.223 -0.028 0.000 2.079 269 L HA -0.098 4.243 4.340 0.000 0.000 0.210 269 L C 1.953 178.802 176.870 -0.035 0.000 1.081 269 L CA 1.369 56.184 54.840 -0.043 0.000 0.752 269 L CB -0.267 41.738 42.059 -0.090 0.000 0.896 269 L HN -0.013 nan 8.230 nan 0.000 0.433 270 L N -0.535 120.656 121.223 -0.053 0.000 2.007 270 L HA -0.144 4.196 4.340 0.000 0.000 0.205 270 L C 2.827 179.700 176.870 0.005 0.000 1.073 270 L CA 1.549 56.365 54.840 -0.039 0.000 0.744 270 L CB -0.659 41.361 42.059 -0.065 0.000 0.898 270 L HN 0.323 nan 8.230 nan 0.000 0.435 271 R N -0.393 120.119 120.500 0.020 0.000 2.170 271 R HA -0.163 4.177 4.340 0.000 0.000 0.242 271 R C 2.241 178.555 176.300 0.024 0.000 1.145 271 R CA 0.926 57.042 56.100 0.027 0.000 0.984 271 R CB -0.450 29.872 30.300 0.036 0.000 0.869 271 R HN 0.246 nan 8.270 nan 0.000 0.455 272 R N 1.323 121.837 120.500 0.022 0.000 2.057 272 R HA 0.081 4.421 4.340 0.000 0.000 0.229 272 R C 2.405 178.725 176.300 0.033 0.000 1.136 272 R CA 1.061 57.174 56.100 0.023 0.000 0.952 272 R CB -0.730 29.581 30.300 0.018 0.000 0.848 272 R HN 0.309 nan 8.270 nan 0.000 0.430 273 L N 1.053 122.304 121.223 0.047 0.000 2.261 273 L HA -0.166 4.174 4.340 0.000 0.000 0.216 273 L C 2.473 179.392 176.870 0.082 0.000 1.114 273 L CA 1.174 56.064 54.840 0.084 0.000 0.777 273 L CB -0.363 41.783 42.059 0.146 0.000 0.910 273 L HN 0.333 nan 8.230 nan 0.000 0.440 274 E N 0.199 120.434 120.200 0.059 0.000 2.152 274 E HA -0.173 4.177 4.350 0.000 0.000 0.192 274 E C 1.953 178.572 176.600 0.031 0.000 0.983 274 E CA 0.695 57.124 56.400 0.048 0.000 0.818 274 E CB 0.331 30.050 29.700 0.032 0.000 0.758 274 E HN 0.354 nan 8.360 nan 0.000 0.467 275 K N 0.669 121.084 120.400 0.025 0.000 2.062 275 K HA -0.087 4.233 4.320 0.000 0.000 0.205 275 K C 1.826 178.435 176.600 0.015 0.000 1.051 275 K CA 0.917 57.214 56.287 0.017 0.000 0.941 275 K CB -0.214 32.295 32.500 0.014 0.000 0.719 275 K HN 0.209 nan 8.250 nan 0.000 0.440 276 E N -0.019 120.193 120.200 0.019 0.000 2.515 276 E HA -0.033 4.317 4.350 0.000 0.000 0.201 276 E C 0.664 177.268 176.600 0.007 0.000 1.071 276 E CA 0.408 56.816 56.400 0.013 0.000 0.880 276 E CB -0.086 29.623 29.700 0.016 0.000 0.828 276 E HN 0.508 nan 8.360 nan 0.000 0.540 277 G N 1.501 110.308 108.800 0.012 0.000 2.143 277 G HA2 -0.259 3.701 3.960 0.000 0.000 0.249 277 G HA3 -0.259 3.701 3.960 0.000 0.000 0.249 277 G C -0.075 174.820 174.900 -0.009 0.000 0.981 277 G CA -0.134 44.968 45.100 0.004 0.000 0.665 277 G HN 0.163 nan 8.290 nan 0.000 0.528 278 E N 0.017 120.220 120.200 0.005 0.000 2.414 278 E HA 0.448 4.798 4.350 0.000 0.000 0.263 278 E C 0.634 177.225 176.600 -0.014 0.000 1.000 278 E CA 0.364 56.738 56.400 -0.044 0.000 0.914 278 E CB 0.895 30.637 29.700 0.070 0.000 0.948 278 E HN 0.424 nan 8.360 nan 0.000 0.444 279 R N 1.920 122.304 120.500 -0.193 0.000 2.564 279 R HA 0.414 4.754 4.340 0.000 0.000 0.284 279 R C -1.228 174.937 176.300 -0.225 0.000 1.031 279 R CA -0.359 55.715 56.100 -0.043 0.000 0.904 279 R CB 0.892 31.182 30.300 -0.016 0.000 1.199 279 R HN 0.261 nan 8.270 nan 0.000 0.443 280 F N 0.213 120.175 119.950 0.020 0.000 2.585 280 F HA 0.404 4.932 4.527 0.000 0.000 0.350 280 F C 1.186 177.023 175.800 0.062 0.000 1.074 280 F CA -0.634 57.387 58.000 0.035 0.000 1.032 280 F CB 1.260 40.260 39.000 -0.001 0.000 1.330 280 F HN 0.456 nan 8.300 nan 0.000 0.495 281 D N -0.010 120.591 120.400 0.335 0.000 2.388 281 D HA 0.175 4.815 4.640 0.000 0.000 0.208 281 D C -0.379 176.073 176.300 0.254 0.000 1.035 281 D CA 0.780 54.964 54.000 0.307 0.000 0.875 281 D CB 1.512 42.575 40.800 0.438 0.000 0.984 281 D HN 0.196 nan 8.370 nan 0.000 0.508 282 L N 0.886 122.184 121.223 0.125 0.000 2.565 282 L HA 0.328 4.668 4.340 0.000 0.000 0.261 282 L C -2.040 174.715 176.870 -0.192 0.000 0.932 282 L CA -0.513 54.272 54.840 -0.092 0.000 0.878 282 L CB 2.370 44.279 42.059 -0.250 0.000 1.333 282 L HN -0.369 nan 8.230 nan 0.000 0.409 283 V N 4.683 124.476 119.914 -0.202 0.000 2.656 283 V HA 0.606 4.727 4.120 0.000 0.000 0.307 283 V C -0.616 175.332 176.094 -0.243 0.000 1.051 283 V CA -0.628 61.521 62.300 -0.253 0.000 0.893 283 V CB 2.128 33.814 31.823 -0.229 0.000 0.999 283 V HN 0.480 nan 8.190 nan 0.000 0.426 284 V N 5.732 125.492 119.914 -0.257 0.000 2.495 284 V HA 0.551 4.671 4.120 0.000 0.000 0.298 284 V C -0.491 175.473 176.094 -0.217 0.000 1.031 284 V CA -0.485 61.633 62.300 -0.303 0.000 0.871 284 V CB 1.822 33.381 31.823 -0.440 0.000 0.988 284 V HN 0.634 nan 8.190 nan 0.000 0.432 285 L N 4.028 125.133 121.223 -0.196 0.000 2.349 285 L HA 0.626 4.966 4.340 0.000 0.000 0.278 285 L C -0.872 175.897 176.870 -0.168 0.000 0.996 285 L CA -0.287 54.495 54.840 -0.095 0.000 0.825 285 L CB 1.962 43.979 42.059 -0.070 0.000 1.243 285 L HN 0.617 nan 8.230 nan 0.000 0.412 286 D N 4.130 124.424 120.400 -0.178 0.000 2.945 286 D HA 0.224 4.864 4.640 0.000 0.000 0.340 286 D C -2.422 173.631 176.300 -0.412 0.000 1.240 286 D CA -1.254 52.623 54.000 -0.205 0.000 0.749 286 D CB 1.154 41.926 40.800 -0.047 0.000 1.217 286 D HN 0.125 nan 8.370 nan 0.000 0.514 287 P HA 0.290 nan 4.420 nan 0.000 0.274 287 P C -2.542 174.270 177.300 -0.814 0.000 1.260 287 P CA -0.870 61.395 63.100 -1.392 0.000 0.793 287 P CB 0.484 30.968 31.700 -2.026 0.000 1.048 288 P HA 0.170 nan 4.420 nan 0.000 0.284 288 P C 0.644 177.605 177.300 -0.565 0.000 1.287 288 P CA -0.358 62.438 63.100 -0.507 0.000 0.824 288 P CB 0.578 32.111 31.700 -0.279 0.000 1.180 289 A N 0.698 123.399 122.820 -0.199 0.000 1.923 289 A HA -0.258 4.062 4.320 0.000 0.000 0.222 289 A C 1.398 179.081 177.584 0.164 0.000 1.258 289 A CA 2.648 54.697 52.037 0.020 0.000 0.670 289 A CB -2.071 17.002 19.000 0.121 0.000 0.834 289 A HN 0.720 nan 8.150 nan 0.000 0.470 290 F N -4.153 115.839 119.950 0.072 0.000 2.825 290 F HA -0.264 4.264 4.527 0.000 0.000 0.358 290 F C 0.416 176.285 175.800 0.114 0.000 0.639 290 F CA 0.121 58.154 58.000 0.054 0.000 1.153 290 F CB -1.460 37.517 39.000 -0.039 0.000 1.610 290 F HN 0.809 nan 8.300 nan 0.000 0.305 291 A N 0.394 123.419 122.820 0.341 0.000 2.485 291 A HA 0.503 4.823 4.320 0.000 0.000 0.285 291 A C 0.446 178.212 177.584 0.304 0.000 1.045 291 A CA -0.268 51.933 52.037 0.273 0.000 0.792 291 A CB 1.246 20.427 19.000 0.301 0.000 1.307 291 A HN 0.234 nan 8.150 nan 0.000 0.406 292 K N 1.905 122.406 120.400 0.167 0.000 2.242 292 K HA 0.367 4.687 4.320 0.000 0.000 0.200 292 K C 0.764 177.408 176.600 0.073 0.000 1.050 292 K CA 0.918 57.307 56.287 0.170 0.000 0.981 292 K CB 0.433 32.992 32.500 0.099 0.000 0.795 292 K HN 0.800 nan 8.250 nan 0.000 0.477 293 G N 0.562 109.260 108.800 -0.171 0.000 2.605 293 G HA2 0.224 4.185 3.960 0.000 0.000 0.296 293 G HA3 0.224 4.185 3.960 0.000 0.000 0.296 293 G C -0.263 174.327 174.900 -0.517 0.000 1.304 293 G CA -0.786 44.097 45.100 -0.362 0.000 0.941 293 G HN -0.129 nan 8.290 nan 0.000 0.475 294 K N 0.040 120.196 120.400 -0.406 0.000 2.442 294 K HA -0.149 4.171 4.320 0.000 0.000 0.200 294 K C 2.061 178.593 176.600 -0.113 0.000 1.045 294 K CA 1.327 57.484 56.287 -0.217 0.000 0.937 294 K CB -0.062 32.387 32.500 -0.084 0.000 0.757 294 K HN 0.738 nan 8.250 nan 0.000 0.474 295 K N 0.162 120.499 120.400 -0.106 0.000 2.186 295 K HA -0.026 4.294 4.320 0.000 0.000 0.202 295 K C 0.924 177.506 176.600 -0.030 0.000 1.052 295 K CA 1.283 57.539 56.287 -0.053 0.000 0.965 295 K CB -0.043 32.431 32.500 -0.044 0.000 0.746 295 K HN -0.093 nan 8.250 nan 0.000 0.457 296 D N 1.394 121.772 120.400 -0.037 0.000 2.312 296 D HA -0.071 4.569 4.640 0.000 0.000 0.211 296 D C 1.645 177.989 176.300 0.073 0.000 0.964 296 D CA 0.489 54.501 54.000 0.020 0.000 0.877 296 D CB 0.080 40.907 40.800 0.045 0.000 0.924 296 D HN -0.019 nan 8.370 nan 0.000 0.515 297 V N 1.040 120.992 119.914 0.062 0.000 2.250 297 V HA -0.347 3.774 4.120 0.000 0.000 0.250 297 V C 2.447 178.631 176.094 0.151 0.000 1.060 297 V CA 2.116 64.495 62.300 0.132 0.000 1.030 297 V CB -0.542 31.339 31.823 0.097 0.000 0.643 297 V HN 0.204 nan 8.190 nan 0.000 0.445 298 E N 0.707 120.955 120.200 0.080 0.000 2.023 298 E HA -0.242 4.108 4.350 0.000 0.000 0.196 298 E C 2.292 178.954 176.600 0.105 0.000 1.003 298 E CA 1.890 58.328 56.400 0.063 0.000 0.809 298 E CB -0.357 29.350 29.700 0.012 0.000 0.755 298 E HN 0.531 nan 8.360 nan 0.000 0.449 299 R N -0.091 120.448 120.500 0.064 0.000 2.096 299 R HA 0.003 4.343 4.340 0.000 0.000 0.235 299 R C 2.446 178.778 176.300 0.054 0.000 1.127 299 R CA 1.205 57.323 56.100 0.030 0.000 0.968 299 R CB -0.483 29.808 30.300 -0.014 0.000 0.861 299 R HN 0.287 nan 8.270 nan 0.000 0.440 300 A N 0.479 123.381 122.820 0.137 0.000 1.877 300 A HA -0.242 4.079 4.320 0.000 0.000 0.216 300 A C 1.974 179.759 177.584 0.335 0.000 1.186 300 A CA 1.321 53.505 52.037 0.245 0.000 0.620 300 A CB -0.847 18.377 19.000 0.373 0.000 0.822 300 A HN 0.450 nan 8.150 nan 0.000 0.443 301 Y N 0.469 120.887 120.300 0.196 0.000 2.102 301 Y HA -0.324 4.226 4.550 0.000 0.000 0.280 301 Y C 2.570 178.547 175.900 0.128 0.000 1.178 301 Y CA 2.493 60.692 58.100 0.164 0.000 1.146 301 Y CB -0.210 38.297 38.460 0.078 0.000 0.968 301 Y HN 0.279 nan 8.280 nan 0.000 0.504 302 R N -0.168 120.469 120.500 0.228 0.000 2.092 302 R HA -0.111 4.229 4.340 0.000 0.000 0.231 302 R C 2.558 178.849 176.300 -0.016 0.000 1.119 302 R CA 1.197 57.355 56.100 0.097 0.000 0.970 302 R CB -0.726 29.606 30.300 0.054 0.000 0.864 302 R HN 0.454 nan 8.270 nan 0.000 0.440 303 A N -0.058 122.708 122.820 -0.090 0.000 1.865 303 A HA -0.208 4.113 4.320 0.000 0.000 0.217 303 A C 1.855 179.496 177.584 0.095 0.000 1.191 303 A CA 1.365 53.257 52.037 -0.243 0.000 0.623 303 A CB -0.861 17.715 19.000 -0.707 0.000 0.826 303 A HN 0.326 nan 8.150 nan 0.000 0.444 304 Y N 0.046 120.423 120.300 0.128 0.000 2.165 304 Y HA -0.201 4.350 4.550 0.000 0.000 0.286 304 Y C 2.561 178.430 175.900 -0.053 0.000 1.155 304 Y CA 1.994 60.161 58.100 0.111 0.000 1.164 304 Y CB -0.081 38.379 38.460 0.000 0.000 0.978 304 Y HN 0.173 nan 8.280 nan 0.000 0.513 305 K N 0.550 120.949 120.400 -0.001 0.000 2.002 305 K HA -0.192 4.128 4.320 0.000 0.000 0.209 305 K C 2.028 178.627 176.600 -0.002 0.000 1.048 305 K CA 1.443 57.672 56.287 -0.097 0.000 0.930 305 K CB -0.308 32.107 32.500 -0.141 0.000 0.714 305 K HN 0.236 nan 8.250 nan 0.000 0.438 306 E N 0.796 121.029 120.200 0.055 0.000 2.021 306 E HA -0.167 4.183 4.350 0.000 0.000 0.200 306 E C 2.021 178.702 176.600 0.135 0.000 1.015 306 E CA 1.238 57.694 56.400 0.094 0.000 0.824 306 E CB -0.695 29.076 29.700 0.119 0.000 0.762 306 E HN 0.096 nan 8.360 nan 0.000 0.454 307 V N 2.194 122.253 119.914 0.241 0.000 2.380 307 V HA -0.280 3.840 4.120 0.000 0.000 0.251 307 V C 2.004 178.126 176.094 0.048 0.000 1.063 307 V CA 2.147 64.530 62.300 0.138 0.000 1.055 307 V CB -0.398 31.498 31.823 0.122 0.000 0.657 307 V HN 0.274 nan 8.190 nan 0.000 0.455 308 N N -0.350 118.366 118.700 0.027 0.000 2.171 308 N HA -0.113 4.627 4.740 0.000 0.000 0.184 308 N C 1.764 177.243 175.510 -0.052 0.000 1.021 308 N CA 1.633 54.660 53.050 -0.038 0.000 0.854 308 N CB -0.221 38.208 38.487 -0.096 0.000 0.994 308 N HN 0.478 nan 8.380 nan 0.000 0.426 309 L N 1.973 123.172 121.223 -0.040 0.000 2.042 309 L HA -0.118 4.222 4.340 0.000 0.000 0.210 309 L C 2.318 179.170 176.870 -0.030 0.000 1.076 309 L CA 1.694 56.507 54.840 -0.044 0.000 0.749 309 L CB -0.573 41.467 42.059 -0.032 0.000 0.893 309 L HN -0.087 nan 8.230 nan 0.000 0.432 310 R N 0.114 120.610 120.500 -0.008 0.000 2.066 310 R HA 0.019 4.359 4.340 0.000 0.000 0.232 310 R C 2.263 178.549 176.300 -0.022 0.000 1.131 310 R CA 1.655 57.752 56.100 -0.005 0.000 0.955 310 R CB -1.158 29.151 30.300 0.015 0.000 0.851 310 R HN 0.545 nan 8.270 nan 0.000 0.432 311 A N 0.208 123.005 122.820 -0.039 0.000 1.933 311 A HA -0.115 4.205 4.320 0.000 0.000 0.218 311 A C 2.266 179.824 177.584 -0.043 0.000 1.175 311 A CA 1.553 53.551 52.037 -0.065 0.000 0.628 311 A CB -0.615 18.336 19.000 -0.081 0.000 0.814 311 A HN 0.333 nan 8.150 nan 0.000 0.444 312 I N -0.621 119.925 120.570 -0.040 0.000 2.226 312 I HA -0.264 3.906 4.170 0.000 0.000 0.245 312 I C 2.360 178.472 176.117 -0.008 0.000 1.100 312 I CA 1.538 62.819 61.300 -0.033 0.000 1.374 312 I CB -0.242 37.724 38.000 -0.057 0.000 1.057 312 I HN 0.268 nan 8.210 nan 0.000 0.413 313 K N 0.547 120.943 120.400 -0.008 0.000 2.283 313 K HA -0.060 4.260 4.320 0.000 0.000 0.202 313 K C 1.909 178.533 176.600 0.040 0.000 1.048 313 K CA 0.981 57.273 56.287 0.008 0.000 0.948 313 K CB -0.022 32.476 32.500 -0.003 0.000 0.742 313 K HN 0.329 nan 8.250 nan 0.000 0.458 314 L N 0.839 122.095 121.223 0.056 0.000 2.554 314 L HA 0.004 4.344 4.340 0.000 0.000 0.226 314 L C 0.405 177.385 176.870 0.184 0.000 1.137 314 L CA -0.180 54.743 54.840 0.138 0.000 0.863 314 L CB 0.118 42.254 42.059 0.128 0.000 0.985 314 L HN 0.087 nan 8.230 nan 0.000 0.451 315 L N 0.046 121.332 121.223 0.105 0.000 2.399 315 L HA 0.236 4.577 4.340 0.000 0.000 0.266 315 L C 0.263 177.187 176.870 0.090 0.000 1.114 315 L CA 0.135 55.041 54.840 0.110 0.000 0.804 315 L CB 0.989 43.087 42.059 0.064 0.000 1.146 315 L HN -0.061 nan 8.230 nan 0.000 0.451 316 K N 1.556 122.013 120.400 0.096 0.000 2.098 316 K HA 0.216 4.536 4.320 0.000 0.000 0.257 316 K C -0.437 176.202 176.600 0.065 0.000 0.999 316 K CA -0.676 55.654 56.287 0.071 0.000 0.924 316 K CB 0.612 33.154 32.500 0.069 0.000 1.028 316 K HN 0.499 nan 8.250 nan 0.000 0.466 317 E N 0.524 120.755 120.200 0.053 0.000 2.491 317 E HA -0.051 4.299 4.350 0.000 0.000 0.250 317 E C 0.399 177.034 176.600 0.059 0.000 1.061 317 E CA 0.735 57.166 56.400 0.050 0.000 0.942 317 E CB -0.295 29.430 29.700 0.041 0.000 0.957 317 E HN 0.788 nan 8.360 nan 0.000 0.480 318 G N 2.860 111.700 108.800 0.068 0.000 2.211 318 G HA2 -0.207 3.753 3.960 0.000 0.000 0.201 318 G HA3 -0.207 3.753 3.960 0.000 0.000 0.201 318 G C 0.491 175.450 174.900 0.098 0.000 0.997 318 G CA -0.327 44.821 45.100 0.081 0.000 0.652 318 G HN 0.849 nan 8.290 nan 0.000 0.500 319 G N -0.063 108.793 108.800 0.093 0.000 2.636 319 G HA2 0.499 4.460 3.960 0.000 0.000 0.246 319 G HA3 0.499 4.460 3.960 0.000 0.000 0.246 319 G C 0.110 175.051 174.900 0.069 0.000 1.216 319 G CA -0.204 44.956 45.100 0.100 0.000 0.854 319 G HN 0.362 nan 8.290 nan 0.000 0.572 320 I N 0.442 121.024 120.570 0.018 0.000 2.437 320 I HA 0.345 4.516 4.170 0.000 0.000 0.298 320 I C -0.384 175.668 176.117 -0.110 0.000 0.984 320 I CA -0.694 60.552 61.300 -0.090 0.000 1.214 320 I CB 1.394 39.167 38.000 -0.379 0.000 1.365 320 I HN 0.245 nan 8.210 nan 0.000 0.469 321 L N 6.114 127.298 121.223 -0.065 0.000 2.349 321 L HA 0.750 5.090 4.340 0.000 0.000 0.278 321 L C -0.458 176.341 176.870 -0.119 0.000 0.996 321 L CA -0.239 54.566 54.840 -0.058 0.000 0.825 321 L CB 1.502 43.590 42.059 0.049 0.000 1.243 321 L HN 0.655 nan 8.230 nan 0.000 0.412 322 A N 3.419 126.103 122.820 -0.227 0.000 2.293 322 A HA 0.676 4.996 4.320 0.000 0.000 0.312 322 A C -0.344 177.015 177.584 -0.376 0.000 1.309 322 A CA -0.362 51.437 52.037 -0.397 0.000 0.839 322 A CB 0.765 19.562 19.000 -0.338 0.000 1.155 322 A HN 0.671 nan 8.150 nan 0.000 0.501 323 T N 1.203 115.555 114.554 -0.337 0.000 2.856 323 T HA 0.784 5.134 4.350 0.000 0.000 0.283 323 T C -0.208 174.441 174.700 -0.086 0.000 1.008 323 T CA 0.334 62.359 62.100 -0.126 0.000 0.997 323 T CB 1.173 70.062 68.868 0.035 0.000 0.992 323 T HN 1.586 nan 8.240 nan 0.000 0.454 324 A N 2.405 125.226 122.820 0.002 0.000 2.564 324 A HA 0.903 5.223 4.320 0.000 0.000 0.288 324 A C -0.745 176.737 177.584 -0.170 0.000 1.164 324 A CA -0.749 51.205 52.037 -0.140 0.000 0.712 324 A CB 1.806 20.816 19.000 0.017 0.000 1.303 324 A HN 0.929 nan 8.150 nan 0.000 0.418 325 S N -1.573 113.851 115.700 -0.461 0.000 2.543 325 S HA 0.453 4.923 4.470 0.000 0.000 0.273 325 S C -0.660 173.772 174.600 -0.281 0.000 1.152 325 S CA -0.140 57.863 58.200 -0.330 0.000 0.910 325 S CB 1.234 64.072 63.200 -0.603 0.000 1.105 325 S HN 1.065 nan 8.310 nan 0.000 0.465 326 C N 3.076 122.291 119.300 -0.143 0.000 3.336 326 C HA 0.397 4.858 4.460 0.000 0.000 0.291 326 C C 0.982 175.899 174.990 -0.122 0.000 1.363 326 C CA 0.050 59.025 59.018 -0.072 0.000 1.737 326 C CB -1.389 26.295 27.740 -0.092 0.000 2.274 326 C HN 0.864 nan 8.230 nan 0.000 0.663 327 S N -0.133 115.511 115.700 -0.094 0.000 2.584 327 S HA 0.241 4.711 4.470 0.000 0.000 0.273 327 S C 0.177 174.692 174.600 -0.142 0.000 1.311 327 S CA -0.010 58.162 58.200 -0.047 0.000 1.034 327 S CB 0.428 63.699 63.200 0.120 0.000 0.939 327 S HN 0.582 nan 8.310 nan 0.000 0.513 328 H N -0.047 118.903 119.070 -0.200 0.000 2.547 328 H HA 0.173 4.729 4.556 0.000 0.000 0.266 328 H C 0.937 176.141 175.328 -0.207 0.000 0.988 328 H CA 0.639 56.575 56.048 -0.186 0.000 1.147 328 H CB -0.171 29.480 29.762 -0.184 0.000 1.365 328 H HN 0.676 nan 8.280 nan 0.000 0.589 329 H N -0.812 118.378 119.070 0.199 0.000 2.592 329 H HA 0.177 4.733 4.556 0.000 0.000 0.265 329 H C 0.327 175.727 175.328 0.120 0.000 0.955 329 H CA 0.126 56.266 56.048 0.154 0.000 1.175 329 H CB 0.388 30.245 29.762 0.158 0.000 1.433 329 H HN 0.259 nan 8.280 nan 0.000 0.537 330 M N 2.862 122.550 119.600 0.147 0.000 2.901 330 M HA 0.139 4.619 4.480 0.000 0.000 0.294 330 M C 0.206 176.516 176.300 0.016 0.000 1.255 330 M CA -0.600 54.744 55.300 0.073 0.000 1.274 330 M CB -0.206 32.360 32.600 -0.056 0.000 1.173 330 M HN 0.071 nan 8.290 nan 0.000 0.525 331 T N -0.998 113.595 114.554 0.066 0.000 2.788 331 T HA 0.007 4.357 4.350 0.000 0.000 0.333 331 T C 0.973 175.721 174.700 0.080 0.000 1.090 331 T CA 0.312 62.441 62.100 0.047 0.000 1.094 331 T CB 0.616 69.540 68.868 0.094 0.000 0.999 331 T HN 0.748 nan 8.240 nan 0.000 0.549 332 E N 1.243 121.503 120.200 0.100 0.000 2.051 332 E HA -0.081 4.270 4.350 0.000 0.000 0.192 332 E C -0.735 176.082 176.600 0.362 0.000 0.991 332 E CA 1.058 57.605 56.400 0.245 0.000 0.799 332 E CB -0.973 28.921 29.700 0.324 0.000 0.748 332 E HN 0.605 nan 8.360 nan 0.000 0.449 333 P HA -0.144 nan 4.420 nan 0.000 0.217 333 P C 1.269 178.704 177.300 0.224 0.000 1.150 333 P CA 1.031 64.272 63.100 0.235 0.000 0.832 333 P CB 0.006 31.796 31.700 0.150 0.000 0.787 334 L N -2.375 118.965 121.223 0.196 0.000 2.056 334 L HA -0.164 4.176 4.340 0.000 0.000 0.207 334 L C 2.360 179.319 176.870 0.149 0.000 1.078 334 L CA 1.333 56.297 54.840 0.206 0.000 0.749 334 L CB -0.764 41.419 42.059 0.207 0.000 0.901 334 L HN -0.050 nan 8.230 nan 0.000 0.433 335 F N -0.218 119.696 119.950 -0.060 0.000 2.095 335 F HA -0.300 4.227 4.527 0.000 0.000 0.298 335 F C 2.209 177.837 175.800 -0.287 0.000 1.104 335 F CA 1.678 59.509 58.000 -0.281 0.000 1.232 335 F CB -0.378 38.380 39.000 -0.404 0.000 0.987 335 F HN -0.021 nan 8.300 nan 0.000 0.475 336 Y N -0.130 120.171 120.300 0.002 0.000 2.395 336 Y HA 0.064 4.614 4.550 0.000 0.000 0.293 336 Y C 2.455 178.306 175.900 -0.082 0.000 1.123 336 Y CA 0.830 58.907 58.100 -0.039 0.000 1.227 336 Y CB -1.048 37.487 38.460 0.125 0.000 1.012 336 Y HN 0.158 nan 8.280 nan 0.000 0.552 337 A N 0.154 123.033 122.820 0.098 0.000 1.873 337 A HA -0.197 4.123 4.320 0.000 0.000 0.215 337 A C 2.345 179.942 177.584 0.023 0.000 1.186 337 A CA 1.684 53.779 52.037 0.096 0.000 0.616 337 A CB -0.734 18.365 19.000 0.165 0.000 0.823 337 A HN 0.379 nan 8.150 nan 0.000 0.442 338 M N 0.580 120.131 119.600 -0.083 0.000 2.082 338 M HA -0.140 4.340 4.480 0.000 0.000 0.258 338 M C 1.971 178.064 176.300 -0.344 0.000 1.069 338 M CA 2.338 57.434 55.300 -0.341 0.000 1.102 338 M CB -0.952 31.164 32.600 -0.806 0.000 1.336 338 M HN 0.209 nan 8.290 nan 0.000 0.404 339 V N 1.177 120.812 119.914 -0.465 0.000 2.469 339 V HA -0.231 3.889 4.120 0.000 0.000 0.251 339 V C 2.803 178.708 176.094 -0.315 0.000 1.064 339 V CA 1.757 63.798 62.300 -0.432 0.000 1.066 339 V CB -1.846 29.675 31.823 -0.504 0.000 0.667 339 V HN 0.638 nan 8.190 nan 0.000 0.461 340 A N -0.437 122.261 122.820 -0.204 0.000 1.929 340 A HA -0.193 4.128 4.320 0.000 0.000 0.216 340 A C 2.283 179.813 177.584 -0.090 0.000 1.176 340 A CA 1.546 53.500 52.037 -0.138 0.000 0.628 340 A CB -0.407 18.562 19.000 -0.053 0.000 0.816 340 A HN 0.576 nan 8.150 nan 0.000 0.444 341 E N -0.154 120.011 120.200 -0.058 0.000 2.153 341 E HA -0.102 4.248 4.350 0.000 0.000 0.194 341 E C 2.063 178.637 176.600 -0.044 0.000 0.988 341 E CA 0.904 57.298 56.400 -0.011 0.000 0.811 341 E CB -0.175 29.565 29.700 0.066 0.000 0.746 341 E HN 0.572 nan 8.360 nan 0.000 0.466 342 A N 0.936 123.695 122.820 -0.102 0.000 1.872 342 A HA 0.029 4.349 4.320 0.000 0.000 0.214 342 A C 2.341 179.864 177.584 -0.102 0.000 1.187 342 A CA 1.372 53.345 52.037 -0.106 0.000 0.614 342 A CB -0.602 18.310 19.000 -0.147 0.000 0.826 342 A HN 0.356 nan 8.150 nan 0.000 0.442 343 A N -1.005 121.731 122.820 -0.141 0.000 2.067 343 A HA -0.127 4.193 4.320 0.000 0.000 0.219 343 A C 2.083 179.636 177.584 -0.052 0.000 1.158 343 A CA 1.604 53.566 52.037 -0.125 0.000 0.661 343 A CB -0.395 18.482 19.000 -0.206 0.000 0.801 343 A HN 0.654 nan 8.150 nan 0.000 0.452 344 Q N -0.350 119.430 119.800 -0.035 0.000 1.969 344 Q HA -0.144 4.196 4.340 0.000 0.000 0.198 344 Q C 1.470 177.526 176.000 0.093 0.000 0.978 344 Q CA 1.454 57.274 55.803 0.028 0.000 0.830 344 Q CB -0.123 28.626 28.738 0.019 0.000 0.896 344 Q HN 0.554 nan 8.270 nan 0.000 0.431 345 D N 0.348 120.766 120.400 0.031 0.000 2.158 345 D HA -0.178 4.463 4.640 0.000 0.000 0.197 345 D C 1.481 177.691 176.300 -0.150 0.000 0.995 345 D CA 1.384 55.374 54.000 -0.016 0.000 0.846 345 D CB -0.204 40.572 40.800 -0.041 0.000 0.941 345 D HN 0.306 nan 8.370 nan 0.000 0.456 346 A N -0.200 122.565 122.820 -0.091 0.000 2.216 346 A HA -0.131 4.189 4.320 0.000 0.000 0.214 346 A C 0.287 177.854 177.584 -0.027 0.000 1.160 346 A CA 0.810 52.780 52.037 -0.111 0.000 0.725 346 A CB -0.912 18.051 19.000 -0.062 0.000 0.784 346 A HN 0.521 nan 8.150 nan 0.000 0.472 347 H N -1.661 117.394 119.070 -0.024 0.000 2.861 347 H HA -0.137 4.419 4.556 0.000 0.000 0.289 347 H C -0.295 175.021 175.328 -0.019 0.000 1.176 347 H CA 0.257 56.294 56.048 -0.019 0.000 1.146 347 H CB -0.845 28.911 29.762 -0.011 0.000 1.330 347 H HN 0.418 nan 8.280 nan 0.000 0.379 348 R N 0.800 121.347 120.500 0.079 0.000 2.637 348 R HA 0.404 4.744 4.340 0.000 0.000 0.291 348 R C -0.396 175.906 176.300 0.002 0.000 0.963 348 R CA -1.262 54.856 56.100 0.032 0.000 0.901 348 R CB 1.864 32.169 30.300 0.008 0.000 1.160 348 R HN 0.039 nan 8.270 nan 0.000 0.457 349 L N 3.952 125.177 121.223 0.004 0.000 2.255 349 L HA 0.382 4.722 4.340 0.000 0.000 0.289 349 L C -0.880 175.987 176.870 -0.005 0.000 1.046 349 L CA -0.105 54.731 54.840 -0.005 0.000 0.816 349 L CB 0.550 42.614 42.059 0.008 0.000 1.197 349 L HN 0.441 nan 8.230 nan 0.000 0.427 350 L N 5.656 126.855 121.223 -0.040 0.000 2.264 350 L HA 0.537 4.877 4.340 0.000 0.000 0.289 350 L C 0.308 177.225 176.870 0.078 0.000 1.044 350 L CA -0.563 54.267 54.840 -0.017 0.000 0.807 350 L CB 1.086 43.019 42.059 -0.210 0.000 1.192 350 L HN 0.639 nan 8.230 nan 0.000 0.425 351 R N 2.407 122.995 120.500 0.147 0.000 2.459 351 R HA 0.461 4.801 4.340 0.000 0.000 0.281 351 R C -0.946 175.527 176.300 0.288 0.000 1.050 351 R CA -0.617 55.585 56.100 0.170 0.000 1.055 351 R CB 1.515 31.891 30.300 0.127 0.000 1.045 351 R HN 0.415 nan 8.270 nan 0.000 0.495 352 V N 5.722 125.791 119.914 0.258 0.000 2.427 352 V HA 0.022 4.142 4.120 0.000 0.000 0.268 352 V C 1.186 177.336 176.094 0.094 0.000 1.046 352 V CA -0.133 62.297 62.300 0.217 0.000 0.970 352 V CB 1.264 33.180 31.823 0.155 0.000 1.001 352 V HN 0.757 nan 8.190 nan 0.000 0.476 353 V N 3.819 123.758 119.914 0.041 0.000 2.300 353 V HA 0.106 4.226 4.120 0.000 0.000 0.241 353 V C 0.760 176.892 176.094 0.065 0.000 1.034 353 V CA 1.264 63.629 62.300 0.107 0.000 1.021 353 V CB 0.008 31.958 31.823 0.213 0.000 0.662 353 V HN 0.960 nan 8.190 nan 0.000 0.458 354 E N -0.990 119.176 120.200 -0.056 0.000 2.380 354 E HA 0.379 4.729 4.350 0.000 0.000 0.281 354 E C -1.583 174.909 176.600 -0.181 0.000 0.999 354 E CA -0.653 55.691 56.400 -0.094 0.000 0.800 354 E CB 1.726 31.367 29.700 -0.099 0.000 1.228 354 E HN 0.192 nan 8.360 nan 0.000 0.436 355 K N 3.198 123.525 120.400 -0.121 0.000 2.394 355 K HA 0.508 4.828 4.320 0.000 0.000 0.260 355 K C -0.715 175.867 176.600 -0.030 0.000 0.967 355 K CA -0.528 55.720 56.287 -0.066 0.000 0.855 355 K CB 1.656 34.098 32.500 -0.096 0.000 1.101 355 K HN 0.325 nan 8.250 nan 0.000 0.433 356 R N 0.649 121.171 120.500 0.036 0.000 2.919 356 R HA 0.633 4.973 4.340 0.000 0.000 0.260 356 R C 0.164 176.496 176.300 0.052 0.000 1.067 356 R CA -0.988 55.128 56.100 0.026 0.000 1.003 356 R CB 1.649 31.958 30.300 0.015 0.000 1.192 356 R HN 0.675 nan 8.270 nan 0.000 0.488 357 G N -0.263 108.528 108.800 -0.015 0.000 3.340 357 G HA2 0.213 4.174 3.960 0.000 0.000 0.176 357 G HA3 0.213 4.174 3.960 0.000 0.000 0.176 357 G C -1.096 173.738 174.900 -0.111 0.000 1.103 357 G CA -0.522 44.556 45.100 -0.037 0.000 0.779 357 G HN 0.395 nan 8.290 nan 0.000 0.673 358 Q N 1.498 121.209 119.800 -0.148 0.000 2.259 358 Q HA 0.360 4.700 4.340 0.000 0.000 0.249 358 Q C -2.118 173.796 176.000 -0.144 0.000 0.914 358 Q CA -1.544 54.135 55.803 -0.207 0.000 0.904 358 Q CB 1.586 30.165 28.738 -0.266 0.000 1.213 358 Q HN 0.323 nan 8.270 nan 0.000 0.428 359 P HA -0.086 nan 4.420 nan 0.000 0.271 359 P C 0.271 177.563 177.300 -0.015 0.000 1.233 359 P CA -0.157 62.915 63.100 -0.047 0.000 0.789 359 P CB 0.402 32.049 31.700 -0.088 0.000 0.951 360 F N 1.157 121.100 119.950 -0.012 0.000 2.154 360 F HA -0.199 4.329 4.527 0.000 0.000 0.301 360 F C 1.300 177.106 175.800 0.009 0.000 1.087 360 F CA 1.859 59.857 58.000 -0.003 0.000 1.274 360 F CB -1.802 37.198 39.000 0.001 0.000 1.009 360 F HN 0.205 nan 8.300 nan 0.000 0.485 361 D N -0.950 118.607 120.400 -1.405 0.000 2.352 361 D HA -0.126 4.514 4.640 0.000 0.000 0.232 361 D C -0.147 175.800 176.300 -0.588 0.000 1.055 361 D CA 0.529 53.923 54.000 -1.009 0.000 0.891 361 D CB -1.264 38.962 40.800 -0.956 0.000 0.897 361 D HN 0.521 nan 8.370 nan 0.000 0.529 362 H N 0.553 119.305 119.070 -0.530 0.000 2.439 362 H HA 0.303 4.859 4.556 0.000 0.000 0.230 362 H C -2.294 172.798 175.328 -0.393 0.000 1.420 362 H CA -1.735 53.856 56.048 -0.761 0.000 1.305 362 H CB 0.686 30.056 29.762 -0.654 0.000 1.667 362 H HN 0.078 nan 8.280 nan 0.000 0.515 363 P HA -0.070 nan 4.420 nan 0.000 0.266 363 P C -0.132 177.233 177.300 0.109 0.000 1.186 363 P CA 0.246 63.368 63.100 0.037 0.000 0.767 363 P CB 1.570 33.294 31.700 0.039 0.000 0.820 364 V N 4.376 124.306 119.914 0.028 0.000 2.555 364 V HA 0.342 4.462 4.120 0.000 0.000 0.302 364 V C 0.416 176.504 176.094 -0.010 0.000 1.038 364 V CA -0.740 61.567 62.300 0.011 0.000 0.887 364 V CB 1.677 33.462 31.823 -0.062 0.000 0.991 364 V HN 0.363 nan 8.190 nan 0.000 0.434 365 L N 4.653 125.870 121.223 -0.010 0.000 2.305 365 L HA 0.341 4.681 4.340 0.000 0.000 0.284 365 L C 0.954 177.826 176.870 0.002 0.000 1.013 365 L CA -0.543 54.288 54.840 -0.015 0.000 0.819 365 L CB 1.596 43.629 42.059 -0.042 0.000 1.227 365 L HN 0.559 nan 8.230 nan 0.000 0.417 366 L N 3.994 125.211 121.223 -0.010 0.000 1.990 366 L HA -0.220 4.120 4.340 0.000 0.000 0.213 366 L C 1.811 178.691 176.870 0.016 0.000 1.072 366 L CA 2.102 56.938 54.840 -0.006 0.000 0.755 366 L CB -0.407 41.641 42.059 -0.019 0.000 0.889 366 L HN 0.682 nan 8.230 nan 0.000 0.432 367 N N -1.906 116.800 118.700 0.010 0.000 2.573 367 N HA -0.102 4.638 4.740 0.000 0.000 0.187 367 N C 0.072 175.608 175.510 0.044 0.000 1.107 367 N CA 0.774 53.834 53.050 0.017 0.000 0.918 367 N CB -0.315 38.163 38.487 -0.016 0.000 0.966 367 N HN 0.551 nan 8.380 nan 0.000 0.448 368 H N -0.667 118.336 119.070 -0.112 0.000 2.569 368 H HA 0.238 4.794 4.556 0.000 0.000 0.247 368 H C -2.056 173.191 175.328 -0.135 0.000 1.346 368 H CA -1.988 53.888 56.048 -0.288 0.000 1.502 368 H CB 1.199 30.628 29.762 -0.555 0.000 1.512 368 H HN -0.097 nan 8.280 nan 0.000 0.502 369 P HA -0.228 nan 4.420 nan 0.000 0.216 369 P C 0.846 178.278 177.300 0.221 0.000 1.154 369 P CA 1.274 64.469 63.100 0.160 0.000 0.865 369 P CB 0.350 32.134 31.700 0.140 0.000 0.789 370 E N -1.382 118.964 120.200 0.242 0.000 2.510 370 E HA -0.108 4.242 4.350 0.000 0.000 0.202 370 E C 1.579 178.392 176.600 0.355 0.000 1.072 370 E CA 1.389 57.985 56.400 0.326 0.000 0.883 370 E CB -1.050 28.842 29.700 0.321 0.000 0.818 370 E HN 0.453 nan 8.360 nan 0.000 0.548 371 T N -2.746 111.957 114.554 0.249 0.000 3.100 371 T HA -0.040 4.310 4.350 0.000 0.000 0.253 371 T C 0.484 175.338 174.700 0.257 0.000 1.118 371 T CA 0.023 62.242 62.100 0.199 0.000 1.058 371 T CB -0.103 68.780 68.868 0.025 0.000 0.953 371 T HN 0.088 nan 8.240 nan 0.000 0.515 372 H N 1.071 120.195 119.070 0.090 0.000 2.661 372 H HA 0.425 4.981 4.556 0.000 0.000 0.290 372 H C -0.131 175.143 175.328 -0.089 0.000 1.082 372 H CA -2.041 53.961 56.048 -0.077 0.000 1.234 372 H CB 0.228 29.965 29.762 -0.041 0.000 1.387 372 H HN 0.399 nan 8.280 nan 0.000 0.476 373 Y N 3.118 123.261 120.300 -0.262 0.000 2.494 373 Y HA 0.267 4.817 4.550 0.000 0.000 0.271 373 Y C -0.578 175.065 175.900 -0.428 0.000 1.113 373 Y CA -0.754 57.044 58.100 -0.504 0.000 1.240 373 Y CB 0.109 38.098 38.460 -0.785 0.000 1.268 373 Y HN 0.378 nan 8.280 nan 0.000 0.510 374 L N 2.992 123.841 121.223 -0.624 0.000 2.290 374 L HA 0.538 4.878 4.340 0.000 0.000 0.284 374 L C -1.125 175.589 176.870 -0.261 0.000 1.078 374 L CA -0.829 53.817 54.840 -0.323 0.000 0.815 374 L CB 0.831 42.704 42.059 -0.310 0.000 1.162 374 L HN 0.112 nan 8.230 nan 0.000 0.435 375 K N 5.334 125.524 120.400 -0.350 0.000 2.376 375 K HA 0.559 4.879 4.320 0.000 0.000 0.257 375 K C -1.601 174.797 176.600 -0.337 0.000 0.939 375 K CA -0.087 55.948 56.287 -0.420 0.000 0.809 375 K CB 1.624 33.535 32.500 -0.981 0.000 1.121 375 K HN 0.438 nan 8.250 nan 0.000 0.425 376 F N 2.011 121.804 119.950 -0.261 0.000 2.562 376 F HA 0.700 5.228 4.527 0.000 0.000 0.319 376 F C -1.347 174.399 175.800 -0.091 0.000 1.154 376 F CA -0.470 57.420 58.000 -0.183 0.000 0.931 376 F CB 1.314 40.231 39.000 -0.139 0.000 1.198 376 F HN 0.571 nan 8.300 nan 0.000 0.444 377 A N 4.778 127.221 122.820 -0.628 0.000 2.401 377 A HA 0.859 5.179 4.320 0.000 0.000 0.310 377 A C -1.943 175.135 177.584 -0.842 0.000 1.075 377 A CA -0.746 50.965 52.037 -0.543 0.000 0.746 377 A CB 1.820 20.686 19.000 -0.224 0.000 1.277 377 A HN 0.562 nan 8.150 nan 0.000 0.425 378 V N 2.010 121.482 119.914 -0.737 0.000 2.444 378 V HA 0.567 4.687 4.120 0.000 0.000 0.294 378 V C -1.145 174.635 176.094 -0.523 0.000 1.022 378 V CA -0.165 61.848 62.300 -0.479 0.000 0.850 378 V CB 0.732 32.535 31.823 -0.033 0.000 0.992 378 V HN 0.724 nan 8.190 nan 0.000 0.426 379 F N 2.340 122.272 119.950 -0.031 0.000 2.561 379 F HA 0.617 5.144 4.527 0.000 0.000 0.321 379 F C 0.161 175.967 175.800 0.009 0.000 1.065 379 F CA -0.683 57.321 58.000 0.006 0.000 0.934 379 F CB 1.954 40.946 39.000 -0.013 0.000 1.215 379 F HN 0.389 nan 8.300 nan 0.000 0.471 380 Q N 2.145 122.090 119.800 0.242 0.000 2.348 380 Q HA 0.526 4.866 4.340 0.000 0.000 0.265 380 Q C -1.514 174.564 176.000 0.129 0.000 0.998 380 Q CA -0.647 55.252 55.803 0.160 0.000 0.831 380 Q CB 1.842 30.674 28.738 0.157 0.000 1.251 380 Q HN 0.604 nan 8.270 nan 0.000 0.456 381 V N 5.589 125.560 119.914 0.094 0.000 2.715 381 V HA 0.206 4.326 4.120 0.000 0.000 0.299 381 V C 0.389 176.520 176.094 0.063 0.000 1.054 381 V CA 0.203 62.541 62.300 0.062 0.000 1.077 381 V CB 0.770 32.620 31.823 0.045 0.000 0.972 381 V HN 0.760 nan 8.190 nan 0.000 0.484 382 L N 0.000 121.253 121.223 0.050 0.000 2.949 382 L HA 0.000 4.340 4.340 0.000 0.000 0.249 382 L CA 0.000 54.868 54.840 0.047 0.000 0.813 382 L CB 0.000 42.087 42.059 0.046 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502