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 1arh_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA RQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GAVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.119 176.300 -0.302 0.000 1.140 5 M CA 0.000 55.041 55.300 -0.432 0.000 0.988 5 M CB 0.000 32.139 32.600 -0.768 0.000 1.302 6 F N 1.359 121.309 119.950 -0.000 0.000 2.678 6 F HA 0.301 4.828 4.527 -0.001 0.000 0.305 6 F C 1.671 177.471 175.800 -0.001 0.000 1.090 6 F CA 0.100 58.100 58.000 -0.000 0.000 1.272 6 F CB -0.533 38.467 39.000 0.000 0.000 1.060 6 F HN 0.073 nan 8.300 nan 0.000 0.576 7 E N 0.596 120.858 120.200 0.102 0.000 2.085 7 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 7 E C 1.627 178.264 176.600 0.062 0.000 0.994 7 E CA 1.414 57.855 56.400 0.069 0.000 0.801 7 E CB -0.442 29.273 29.700 0.025 0.000 0.743 7 E HN 0.401 nan 8.360 nan 0.000 0.453 8 N N 0.100 118.834 118.700 0.057 0.000 2.336 8 N HA 0.046 4.786 4.740 -0.000 0.000 0.189 8 N C -0.306 175.234 175.510 0.050 0.000 1.113 8 N CA -0.207 52.869 53.050 0.043 0.000 0.858 8 N CB 0.276 38.780 38.487 0.028 0.000 0.970 8 N HN 0.100 nan 8.380 nan 0.000 0.471 9 I N 1.859 122.475 120.570 0.076 0.000 2.710 9 I HA -0.089 4.081 4.170 -0.000 0.000 0.286 9 I C 0.854 176.992 176.117 0.034 0.000 1.181 9 I CA 0.234 61.571 61.300 0.063 0.000 1.430 9 I CB 0.816 38.863 38.000 0.079 0.000 1.367 9 I HN 0.071 nan 8.210 nan 0.000 0.577 10 T N 3.609 118.175 114.554 0.021 0.000 2.909 10 T HA 0.653 5.003 4.350 -0.000 0.000 0.286 10 T C 0.114 174.815 174.700 0.001 0.000 1.002 10 T CA -1.060 61.046 62.100 0.010 0.000 1.074 10 T CB 1.497 70.369 68.868 0.006 0.000 0.984 10 T HN 0.677 nan 8.240 nan 0.000 0.495 11 A N 2.011 124.830 122.820 -0.001 0.000 2.498 11 A HA 0.589 4.909 4.320 -0.000 0.000 0.239 11 A C 0.825 178.402 177.584 -0.011 0.000 1.068 11 A CA -0.337 51.696 52.037 -0.007 0.000 0.766 11 A CB -0.633 18.363 19.000 -0.006 0.000 1.003 11 A HN 1.441 nan 8.150 nan 0.000 0.497 12 A N 3.654 126.464 122.820 -0.016 0.000 2.327 12 A HA 0.642 4.962 4.320 -0.000 0.000 0.283 12 A C -1.842 175.731 177.584 -0.017 0.000 1.127 12 A CA -1.368 50.658 52.037 -0.019 0.000 0.810 12 A CB -0.523 18.462 19.000 -0.025 0.000 1.066 12 A HN 0.767 nan 8.150 nan 0.000 0.492 13 P HA 0.312 nan 4.420 nan 0.000 0.266 13 P C 0.049 177.337 177.300 -0.019 0.000 1.195 13 P CA 0.085 63.175 63.100 -0.017 0.000 0.768 13 P CB 0.414 32.100 31.700 -0.022 0.000 0.838 14 A N 2.060 124.872 122.820 -0.012 0.000 2.425 14 A HA 0.077 4.397 4.320 -0.000 0.000 0.242 14 A C 0.507 178.081 177.584 -0.017 0.000 1.077 14 A CA -0.325 51.707 52.037 -0.009 0.000 0.781 14 A CB -0.106 18.896 19.000 0.004 0.000 1.020 14 A HN 0.676 nan 8.150 nan 0.000 0.494 15 D N 2.316 122.705 120.400 -0.017 0.000 2.383 15 D HA 0.125 4.765 4.640 -0.000 0.000 0.252 15 D C -1.444 174.846 176.300 -0.017 0.000 1.166 15 D CA -1.395 52.587 54.000 -0.030 0.000 0.879 15 D CB 1.021 41.802 40.800 -0.030 0.000 1.164 15 D HN 0.148 nan 8.370 nan 0.000 0.462 16 P HA -0.149 nan 4.420 nan 0.000 0.217 16 P C 1.198 178.504 177.300 0.009 0.000 1.148 16 P CA 1.155 64.244 63.100 -0.019 0.000 0.834 16 P CB 0.366 32.037 31.700 -0.048 0.000 0.783 17 I N -2.521 118.056 120.570 0.012 0.000 2.681 17 I HA -0.051 4.118 4.170 -0.000 0.000 0.247 17 I C 2.037 178.185 176.117 0.053 0.000 1.091 17 I CA 0.473 61.804 61.300 0.053 0.000 1.442 17 I CB -0.768 37.291 38.000 0.099 0.000 1.219 17 I HN -0.249 nan 8.210 nan 0.000 0.451 18 L N 0.945 122.192 121.223 0.040 0.000 2.042 18 L HA -0.099 4.240 4.340 -0.000 0.000 0.210 18 L C 2.536 179.429 176.870 0.040 0.000 1.076 18 L CA 2.103 56.965 54.840 0.036 0.000 0.749 18 L CB -2.164 39.910 42.059 0.025 0.000 0.893 18 L HN 0.329 nan 8.230 nan 0.000 0.432 19 G N -0.800 108.021 108.800 0.035 0.000 2.446 19 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.217 19 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.217 19 G C 1.757 176.702 174.900 0.075 0.000 1.168 19 G CA 0.669 45.795 45.100 0.043 0.000 0.771 19 G HN 0.332 nan 8.290 nan 0.000 0.551 20 L N 0.521 121.799 121.223 0.090 0.000 2.127 20 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 20 L C 3.360 180.335 176.870 0.176 0.000 1.089 20 L CA 1.030 55.960 54.840 0.151 0.000 0.757 20 L CB -0.313 41.831 42.059 0.143 0.000 0.899 20 L HN 0.369 nan 8.230 nan 0.000 0.434 21 A N -0.391 122.493 122.820 0.107 0.000 1.898 21 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 21 A C 1.906 179.560 177.584 0.115 0.000 1.181 21 A CA 1.627 53.718 52.037 0.090 0.000 0.620 21 A CB -0.443 18.581 19.000 0.040 0.000 0.819 21 A HN 0.411 nan 8.150 nan 0.000 0.442 22 D N 0.468 120.920 120.400 0.086 0.000 2.123 22 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 22 D C 1.922 178.269 176.300 0.078 0.000 0.992 22 D CA 1.967 56.006 54.000 0.066 0.000 0.833 22 D CB -0.337 40.491 40.800 0.047 0.000 0.954 22 D HN 0.583 nan 8.370 nan 0.000 0.455 23 L N -1.226 120.071 121.223 0.122 0.000 2.201 23 L HA -0.016 4.323 4.340 -0.000 0.000 0.212 23 L C 2.312 179.264 176.870 0.137 0.000 1.105 23 L CA 1.064 55.996 54.840 0.152 0.000 0.775 23 L CB -0.990 41.187 42.059 0.196 0.000 0.913 23 L HN -0.153 nan 8.230 nan 0.000 0.440 24 F N 1.692 121.583 119.950 -0.099 0.000 2.126 24 F HA -0.183 4.344 4.527 -0.001 0.000 0.299 24 F C 2.857 178.512 175.800 -0.241 0.000 1.096 24 F CA 1.978 59.731 58.000 -0.413 0.000 1.255 24 F CB -0.344 38.379 39.000 -0.460 0.000 0.997 24 F HN 0.164 nan 8.300 nan 0.000 0.479 25 R N 0.988 121.394 120.500 -0.158 0.000 2.082 25 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 25 R C 2.253 178.428 176.300 -0.207 0.000 1.136 25 R CA 1.799 57.771 56.100 -0.213 0.000 0.935 25 R CB -1.221 29.040 30.300 -0.064 0.000 0.842 25 R HN 0.302 nan 8.270 nan 0.000 0.430 26 A N 1.054 123.812 122.820 -0.103 0.000 2.024 26 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 26 A C 0.692 178.227 177.584 -0.081 0.000 1.164 26 A CA 1.310 53.306 52.037 -0.068 0.000 0.643 26 A CB -0.775 18.215 19.000 -0.017 0.000 0.806 26 A HN 0.684 nan 8.150 nan 0.000 0.451 27 D N -0.289 120.043 120.400 -0.112 0.000 2.363 27 D HA 0.141 4.781 4.640 -0.000 0.000 0.263 27 D C 0.672 176.877 176.300 -0.158 0.000 1.258 27 D CA 0.225 54.182 54.000 -0.071 0.000 0.907 27 D CB 0.367 41.168 40.800 0.002 0.000 1.107 27 D HN 0.462 nan 8.370 nan 0.000 0.495 28 E N 3.387 123.531 120.200 -0.093 0.000 2.419 28 E HA 0.022 4.371 4.350 -0.000 0.000 0.190 28 E C 0.157 176.706 176.600 -0.084 0.000 1.040 28 E CA -0.570 55.767 56.400 -0.105 0.000 0.900 28 E CB 0.266 29.924 29.700 -0.070 0.000 1.054 28 E HN 0.265 nan 8.360 nan 0.000 0.462 29 R N 1.290 121.748 120.500 -0.070 0.000 2.389 29 R HA 0.140 4.480 4.340 -0.000 0.000 0.295 29 R C -1.663 174.611 176.300 -0.044 0.000 1.075 29 R CA -1.382 54.698 56.100 -0.035 0.000 1.005 29 R CB 0.508 30.813 30.300 0.008 0.000 0.987 29 R HN -0.016 nan 8.270 nan 0.000 0.452 30 P HA -0.179 nan 4.420 nan 0.000 0.207 30 P C 0.433 177.733 177.300 0.000 0.000 0.954 30 P CA 1.770 64.860 63.100 -0.016 0.000 0.990 30 P CB -0.294 31.405 31.700 -0.001 0.000 0.721 31 G N 0.089 108.905 108.800 0.028 0.000 3.340 31 G HA2 0.031 3.991 3.960 -0.000 0.000 0.240 31 G HA3 0.031 3.991 3.960 -0.000 0.000 0.240 31 G C -0.032 174.919 174.900 0.086 0.000 1.327 31 G CA -0.326 44.804 45.100 0.051 0.000 1.170 31 G HN 0.460 nan 8.290 nan 0.000 0.520 32 K N 0.428 120.880 120.400 0.087 0.000 2.339 32 K HA 0.479 4.799 4.320 -0.000 0.000 0.286 32 K C 0.026 176.774 176.600 0.246 0.000 1.050 32 K CA -0.526 55.863 56.287 0.171 0.000 0.956 32 K CB 1.387 33.959 32.500 0.119 0.000 0.990 32 K HN 0.054 nan 8.250 nan 0.000 0.475 33 I N 2.041 122.761 120.570 0.250 0.000 3.021 33 I HA 0.095 4.264 4.170 -0.000 0.000 0.303 33 I C 0.129 176.360 176.117 0.191 0.000 1.044 33 I CA -0.770 60.639 61.300 0.182 0.000 1.266 33 I CB 0.845 38.903 38.000 0.097 0.000 1.447 33 I HN 0.774 nan 8.210 nan 0.000 0.593 34 N N 3.148 121.788 118.700 -0.099 0.000 2.710 34 N HA 0.269 5.008 4.740 -0.000 0.000 0.244 34 N C -0.765 174.566 175.510 -0.298 0.000 1.321 34 N CA -0.275 52.494 53.050 -0.468 0.000 0.758 34 N CB 0.393 37.952 38.487 -1.547 0.000 1.284 34 N HN 0.518 nan 8.380 nan 0.000 0.530 35 L N 0.871 122.019 121.223 -0.125 0.000 2.728 35 L HA 0.476 4.816 4.340 -0.000 0.000 0.235 35 L C 1.216 178.062 176.870 -0.039 0.000 1.197 35 L CA -0.192 54.583 54.840 -0.107 0.000 0.992 35 L CB 0.472 42.479 42.059 -0.088 0.000 1.263 35 L HN 0.502 nan 8.230 nan 0.000 0.484 36 G N 1.273 110.045 108.800 -0.048 0.000 4.873 36 G HA2 0.522 4.482 3.960 -0.000 0.000 0.314 36 G HA3 0.522 4.482 3.960 -0.000 0.000 0.314 36 G C -0.468 174.470 174.900 0.063 0.000 1.426 36 G CA -0.036 45.095 45.100 0.052 0.000 1.136 36 G HN 0.187 nan 8.290 nan 0.000 0.589 37 I N -0.652 119.953 120.570 0.058 0.000 2.744 37 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 37 I C 0.576 176.670 176.117 -0.039 0.000 1.530 37 I CA -0.948 60.392 61.300 0.066 0.000 1.064 37 I CB 1.281 39.264 38.000 -0.028 0.000 1.429 37 I HN 0.135 nan 8.210 nan 0.000 0.425 38 G N 6.330 115.164 108.800 0.057 0.000 3.286 38 G HA2 0.192 4.152 3.960 -0.000 0.000 0.213 38 G HA3 0.192 4.152 3.960 -0.000 0.000 0.213 38 G C 0.088 174.841 174.900 -0.246 0.000 1.274 38 G CA 0.177 45.106 45.100 -0.286 0.000 1.218 38 G HN 0.301 nan 8.290 nan 0.000 0.504 39 V N -0.128 119.640 119.914 -0.243 0.000 2.612 39 V HA 0.366 4.486 4.120 -0.000 0.000 0.301 39 V C -0.211 175.795 176.094 -0.147 0.000 1.046 39 V CA -1.346 60.805 62.300 -0.248 0.000 0.946 39 V CB 1.636 33.179 31.823 -0.466 0.000 1.003 39 V HN 0.383 nan 8.190 nan 0.000 0.459 40 Y N 5.075 125.351 120.300 -0.040 0.000 2.397 40 Y HA 0.383 4.933 4.550 -0.001 0.000 0.335 40 Y C 0.222 176.111 175.900 -0.017 0.000 1.213 40 Y CA 0.250 58.341 58.100 -0.014 0.000 1.391 40 Y CB 0.453 38.995 38.460 0.136 0.000 1.293 40 Y HN 0.472 nan 8.280 nan 0.000 0.557 41 K N 4.261 123.973 120.400 -1.147 0.000 2.469 41 K HA 0.206 4.526 4.320 -0.000 0.000 0.254 41 K C -1.488 174.575 176.600 -0.895 0.000 0.939 41 K CA -0.874 54.979 56.287 -0.724 0.000 0.812 41 K CB 1.576 33.826 32.500 -0.417 0.000 1.301 41 K HN 0.871 nan 8.250 nan 0.000 0.433 42 D N 0.137 120.348 120.400 -0.315 0.000 2.437 42 D HA 0.021 4.660 4.640 -0.000 0.000 0.259 42 D C 0.813 177.060 176.300 -0.089 0.000 1.118 42 D CA -0.389 53.548 54.000 -0.105 0.000 1.017 42 D CB 0.849 41.721 40.800 0.119 0.000 1.120 42 D HN 0.611 nan 8.370 nan 0.000 0.541 43 E N -1.135 119.053 120.200 -0.021 0.000 2.339 43 E HA -0.245 4.105 4.350 -0.000 0.000 0.201 43 E C 1.144 177.732 176.600 -0.020 0.000 1.015 43 E CA 1.904 58.293 56.400 -0.018 0.000 0.841 43 E CB -0.134 29.572 29.700 0.010 0.000 0.754 43 E HN 0.600 nan 8.360 nan 0.000 0.508 44 T N -4.313 110.232 114.554 -0.014 0.000 3.069 44 T HA 0.313 4.663 4.350 -0.000 0.000 0.252 44 T C 1.270 175.957 174.700 -0.022 0.000 1.053 44 T CA 0.325 62.419 62.100 -0.009 0.000 0.964 44 T CB 0.637 69.509 68.868 0.007 0.000 1.005 44 T HN 0.295 nan 8.240 nan 0.000 0.532 45 G N 1.242 110.012 108.800 -0.051 0.000 2.147 45 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 45 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 45 G C -0.146 174.722 174.900 -0.053 0.000 1.005 45 G CA 0.193 45.252 45.100 -0.067 0.000 0.713 45 G HN 0.672 nan 8.290 nan 0.000 0.515 46 K N -0.553 119.828 120.400 -0.032 0.000 2.295 46 K HA 0.644 4.964 4.320 -0.000 0.000 0.239 46 K C -0.590 176.026 176.600 0.027 0.000 0.991 46 K CA -0.624 55.662 56.287 -0.001 0.000 0.845 46 K CB 1.638 34.152 32.500 0.023 0.000 1.197 46 K HN 0.016 nan 8.250 nan 0.000 0.441 47 T N 3.834 118.424 114.554 0.060 0.000 3.154 47 T HA 0.268 4.618 4.350 -0.000 0.000 0.381 47 T C -2.157 172.649 174.700 0.177 0.000 1.368 47 T CA -1.266 60.925 62.100 0.152 0.000 1.155 47 T CB 0.565 69.495 68.868 0.103 0.000 1.120 47 T HN 0.396 nan 8.240 nan 0.000 0.570 48 P HA 0.467 nan 4.420 nan 0.000 0.278 48 P C -0.547 176.847 177.300 0.156 0.000 1.266 48 P CA -0.631 62.558 63.100 0.148 0.000 0.807 48 P CB 0.719 32.495 31.700 0.126 0.000 1.094 49 V N 1.448 121.434 119.914 0.121 0.000 2.488 49 V HA 0.043 4.163 4.120 -0.000 0.000 0.277 49 V C 0.862 177.014 176.094 0.096 0.000 1.046 49 V CA -0.591 61.777 62.300 0.114 0.000 0.986 49 V CB 0.393 32.276 31.823 0.100 0.000 0.989 49 V HN 0.375 nan 8.190 nan 0.000 0.475 50 L N 4.591 125.871 121.223 0.096 0.000 2.506 50 L HA 0.081 4.421 4.340 -0.000 0.000 0.281 50 L C 1.752 178.664 176.870 0.070 0.000 1.228 50 L CA 1.047 55.932 54.840 0.076 0.000 0.850 50 L CB 0.579 42.695 42.059 0.094 0.000 1.110 50 L HN 0.805 nan 8.230 nan 0.000 0.496 51 T N -0.015 114.571 114.554 0.053 0.000 2.777 51 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 51 T C 1.820 176.552 174.700 0.053 0.000 1.040 51 T CA 1.635 63.763 62.100 0.047 0.000 1.141 51 T CB -0.044 68.842 68.868 0.031 0.000 0.868 51 T HN 0.829 nan 8.240 nan 0.000 0.444 52 S N 1.464 117.204 115.700 0.066 0.000 2.370 52 S HA -0.108 4.361 4.470 -0.000 0.000 0.226 52 S C 2.196 176.830 174.600 0.057 0.000 1.033 52 S CA 0.962 59.204 58.200 0.070 0.000 1.011 52 S CB -0.926 62.348 63.200 0.123 0.000 0.852 52 S HN 0.304 nan 8.310 nan 0.000 0.457 53 V N 2.077 122.037 119.914 0.077 0.000 2.270 53 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 53 V C 2.653 178.785 176.094 0.063 0.000 1.043 53 V CA 2.052 64.394 62.300 0.071 0.000 1.014 53 V CB -0.693 31.192 31.823 0.103 0.000 0.645 53 V HN 0.360 nan 8.190 nan 0.000 0.447 54 K N 0.006 120.448 120.400 0.069 0.000 2.103 54 K HA -0.203 4.116 4.320 -0.000 0.000 0.207 54 K C 2.150 178.788 176.600 0.063 0.000 1.048 54 K CA 1.560 57.889 56.287 0.069 0.000 0.930 54 K CB -0.169 32.369 32.500 0.063 0.000 0.716 54 K HN 0.390 nan 8.250 nan 0.000 0.444 55 K N -0.680 119.752 120.400 0.053 0.000 2.057 55 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 55 K C 2.046 178.682 176.600 0.059 0.000 1.050 55 K CA 1.206 57.524 56.287 0.052 0.000 0.935 55 K CB -0.112 32.408 32.500 0.034 0.000 0.715 55 K HN 0.150 nan 8.250 nan 0.000 0.439 56 A N 1.460 124.293 122.820 0.022 0.000 2.019 56 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 56 A C 1.725 179.346 177.584 0.061 0.000 1.164 56 A CA 1.364 53.397 52.037 -0.007 0.000 0.644 56 A CB -0.282 18.670 19.000 -0.081 0.000 0.805 56 A HN 0.294 nan 8.150 nan 0.000 0.449 57 E N -1.098 119.139 120.200 0.061 0.000 2.158 57 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 57 E C 2.156 178.820 176.600 0.106 0.000 0.982 57 E CA 0.951 57.403 56.400 0.087 0.000 0.823 57 E CB -0.064 29.715 29.700 0.131 0.000 0.766 57 E HN 0.588 nan 8.360 nan 0.000 0.468 58 Q N 0.503 120.365 119.800 0.104 0.000 2.046 58 Q HA -0.194 4.146 4.340 -0.000 0.000 0.200 58 Q C 1.779 177.825 176.000 0.076 0.000 0.975 58 Q CA 1.464 57.315 55.803 0.080 0.000 0.836 58 Q CB -0.606 28.175 28.738 0.072 0.000 0.896 58 Q HN 0.391 nan 8.270 nan 0.000 0.428 59 Y N 0.403 120.699 120.300 -0.007 0.000 2.081 59 Y HA -0.254 4.296 4.550 -0.000 0.000 0.280 59 Y C 1.809 177.696 175.900 -0.021 0.000 1.163 59 Y CA 2.211 60.301 58.100 -0.016 0.000 1.135 59 Y CB -0.293 38.152 38.460 -0.026 0.000 0.970 59 Y HN 0.159 nan 8.280 nan 0.000 0.498 60 L N -0.366 120.949 121.223 0.153 0.000 2.131 60 L HA -0.232 4.107 4.340 -0.000 0.000 0.210 60 L C 2.582 179.435 176.870 -0.030 0.000 1.092 60 L CA 0.972 55.837 54.840 0.041 0.000 0.759 60 L CB -0.662 41.423 42.059 0.043 0.000 0.903 60 L HN 0.366 nan 8.230 nan 0.000 0.435 61 L N -0.022 121.200 121.223 -0.002 0.000 2.046 61 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 61 L C 2.485 179.320 176.870 -0.060 0.000 1.077 61 L CA 1.675 56.510 54.840 -0.009 0.000 0.747 61 L CB -0.089 41.977 42.059 0.013 0.000 0.896 61 L HN 0.363 nan 8.230 nan 0.000 0.432 62 E N -0.413 119.721 120.200 -0.111 0.000 2.107 62 E HA -0.180 4.169 4.350 -0.000 0.000 0.191 62 E C 1.539 178.024 176.600 -0.192 0.000 0.982 62 E CA 1.439 57.751 56.400 -0.146 0.000 0.809 62 E CB 0.073 29.670 29.700 -0.172 0.000 0.756 62 E HN 0.542 nan 8.360 nan 0.000 0.459 63 N N -0.094 118.432 118.700 -0.290 0.000 2.356 63 N HA 0.024 4.764 4.740 -0.000 0.000 0.178 63 N C 0.045 175.468 175.510 -0.145 0.000 1.075 63 N CA 0.087 52.973 53.050 -0.273 0.000 0.889 63 N CB 0.525 38.717 38.487 -0.492 0.000 0.999 63 N HN 0.067 nan 8.380 nan 0.000 0.464 67 T N 0.443 114.980 114.554 -0.029 0.000 2.840 67 T HA 0.574 4.924 4.350 -0.000 0.000 0.317 67 T C -1.683 172.994 174.700 -0.038 0.000 1.401 67 T CA -0.589 61.491 62.100 -0.033 0.000 1.028 67 T CB 2.117 70.968 68.868 -0.029 0.000 1.317 67 T HN 0.120 nan 8.240 nan 0.000 0.495 68 K N 2.042 122.408 120.400 -0.058 0.000 2.758 68 K HA 0.286 4.605 4.320 -0.000 0.000 0.208 68 K C 0.060 176.586 176.600 -0.123 0.000 1.091 68 K CA -0.483 55.760 56.287 -0.072 0.000 1.059 68 K CB 0.263 32.721 32.500 -0.071 0.000 0.801 68 K HN 0.362 nan 8.250 nan 0.000 0.470 69 N N 0.607 119.248 118.700 -0.097 0.000 2.479 69 N HA -0.031 4.709 4.740 -0.000 0.000 0.257 69 N C -0.610 174.862 175.510 -0.063 0.000 1.232 69 N CA 0.091 53.068 53.050 -0.122 0.000 0.920 69 N CB 0.343 38.808 38.487 -0.037 0.000 1.105 69 N HN -0.044 nan 8.380 nan 0.000 0.444 70 Y N 1.346 121.650 120.300 0.007 0.000 2.903 70 Y HA -0.064 4.486 4.550 -0.000 0.000 0.338 70 Y C 1.020 176.926 175.900 0.009 0.000 1.265 70 Y CA 0.414 58.520 58.100 0.010 0.000 1.532 70 Y CB 0.093 38.559 38.460 0.011 0.000 1.293 70 Y HN 0.269 nan 8.280 nan 0.000 0.609 71 L N 2.024 123.366 121.223 0.197 0.000 2.479 71 L HA 0.407 4.747 4.340 -0.000 0.000 0.249 71 L C 1.179 178.114 176.870 0.108 0.000 1.178 71 L CA -0.471 54.437 54.840 0.113 0.000 0.811 71 L CB 0.205 42.309 42.059 0.075 0.000 1.187 71 L HN 0.797 nan 8.230 nan 0.000 0.480 72 G N -0.475 108.370 108.800 0.074 0.000 2.507 72 G HA2 0.342 4.302 3.960 -0.000 0.000 0.271 72 G HA3 0.342 4.302 3.960 -0.000 0.000 0.271 72 G C 0.927 175.854 174.900 0.045 0.000 1.189 72 G CA -0.573 44.558 45.100 0.052 0.000 0.859 72 G HN 0.653 nan 8.290 nan 0.000 0.542 73 I N 0.406 120.979 120.570 0.005 0.000 2.229 73 I HA -0.251 3.918 4.170 -0.000 0.000 0.250 73 I C 2.107 178.241 176.117 0.027 0.000 1.096 73 I CA 1.832 63.118 61.300 -0.023 0.000 1.358 73 I CB -0.056 37.889 38.000 -0.092 0.000 1.047 73 I HN 0.589 nan 8.210 nan 0.000 0.422 74 D N 0.183 120.633 120.400 0.083 0.000 2.340 74 D HA 0.174 4.814 4.640 -0.000 0.000 0.220 74 D C 1.140 177.544 176.300 0.174 0.000 1.039 74 D CA 0.877 54.985 54.000 0.180 0.000 0.866 74 D CB -0.147 40.885 40.800 0.387 0.000 0.913 74 D HN 0.422 nan 8.370 nan 0.000 0.523 75 G N 0.784 109.652 108.800 0.113 0.000 2.568 75 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.222 75 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.222 75 G C -0.555 174.388 174.900 0.072 0.000 1.321 75 G CA -0.368 44.772 45.100 0.067 0.000 0.893 75 G HN 0.279 nan 8.290 nan 0.000 0.569 76 I N 3.162 123.757 120.570 0.042 0.000 2.505 76 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 76 I C -0.824 175.372 176.117 0.132 0.000 1.104 76 I CA -1.461 59.879 61.300 0.068 0.000 1.387 76 I CB 1.528 39.544 38.000 0.025 0.000 1.404 76 I HN 0.307 nan 8.210 nan 0.000 0.528 77 P HA -0.193 nan 4.420 nan 0.000 0.215 77 P C 1.063 178.396 177.300 0.055 0.000 1.157 77 P CA 1.405 64.547 63.100 0.071 0.000 0.874 77 P CB 0.190 31.916 31.700 0.043 0.000 0.790 78 E N -1.318 118.908 120.200 0.042 0.000 2.160 78 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 78 E C 1.793 178.390 176.600 -0.006 0.000 0.991 78 E CA 0.805 57.207 56.400 0.004 0.000 0.810 78 E CB -1.155 28.538 29.700 -0.011 0.000 0.742 78 E HN 0.233 nan 8.360 nan 0.000 0.466 79 F N 1.172 121.067 119.950 -0.091 0.000 2.095 79 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 79 F C 2.231 177.993 175.800 -0.063 0.000 1.104 79 F CA 1.963 59.893 58.000 -0.117 0.000 1.232 79 F CB -0.706 38.227 39.000 -0.112 0.000 0.987 79 F HN 0.056 nan 8.300 nan 0.000 0.475 80 G N 0.453 109.280 108.800 0.045 0.000 2.421 80 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.216 80 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.216 80 G C 1.621 176.458 174.900 -0.105 0.000 1.171 80 G CA 1.016 46.098 45.100 -0.029 0.000 0.775 80 G HN 0.512 nan 8.290 nan 0.000 0.543 81 R N -0.430 120.024 120.500 -0.077 0.000 2.096 81 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 81 R C 2.409 178.644 176.300 -0.109 0.000 1.127 81 R CA 1.556 57.611 56.100 -0.075 0.000 0.968 81 R CB -1.304 28.966 30.300 -0.049 0.000 0.861 81 R HN 0.268 nan 8.270 nan 0.000 0.440 82 C N 1.148 120.350 119.300 -0.163 0.000 2.429 82 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 82 C C 3.151 178.016 174.990 -0.208 0.000 1.262 82 C CA 1.515 60.419 59.018 -0.191 0.000 1.733 82 C CB -0.966 26.621 27.740 -0.255 0.000 2.010 82 C HN 0.796 nan 8.230 nan 0.000 0.483 83 T N -0.170 114.206 114.554 -0.298 0.000 2.708 83 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 83 T C 1.686 176.261 174.700 -0.208 0.000 1.037 83 T CA 1.831 63.779 62.100 -0.253 0.000 1.146 83 T CB -0.481 68.201 68.868 -0.311 0.000 0.865 83 T HN 0.705 nan 8.240 nan 0.000 0.435 84 Q N 0.548 120.271 119.800 -0.128 0.000 2.135 84 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 84 Q C 2.463 178.456 176.000 -0.012 0.000 0.981 84 Q CA 1.802 57.599 55.803 -0.010 0.000 0.856 84 Q CB -0.214 28.590 28.738 0.110 0.000 0.902 84 Q HN 0.712 nan 8.270 nan 0.000 0.425 85 E N 0.364 120.535 120.200 -0.048 0.000 2.051 85 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 85 E C 1.918 178.469 176.600 -0.082 0.000 0.991 85 E CA 0.682 57.060 56.400 -0.037 0.000 0.799 85 E CB 0.019 29.693 29.700 -0.043 0.000 0.748 85 E HN 0.131 nan 8.360 nan 0.000 0.449 86 L N 0.489 121.635 121.223 -0.127 0.000 2.017 86 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 86 L C 2.036 178.725 176.870 -0.301 0.000 1.073 86 L CA 1.380 56.129 54.840 -0.152 0.000 0.745 86 L CB -0.448 41.543 42.059 -0.114 0.000 0.894 86 L HN 0.139 nan 8.230 nan 0.000 0.432 87 L N -1.678 119.265 121.223 -0.466 0.000 1.973 87 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 87 L C 2.202 178.639 176.870 -0.721 0.000 1.073 87 L CA 1.965 56.318 54.840 -0.811 0.000 0.746 87 L CB -1.149 40.160 42.059 -1.250 0.000 0.891 87 L HN 0.147 nan 8.230 nan 0.000 0.433 88 F N -0.681 119.173 119.950 -0.160 0.000 2.664 88 F HA 0.462 4.989 4.527 -0.001 0.000 0.296 88 F C 1.300 177.045 175.800 -0.091 0.000 1.125 88 F CA 0.272 58.200 58.000 -0.120 0.000 1.444 88 F CB -0.671 38.271 39.000 -0.096 0.000 1.114 88 F HN 0.157 nan 8.300 nan 0.000 0.576 89 G N 0.323 109.149 108.800 0.043 0.000 2.674 89 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.686 89 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.686 89 G C 0.258 175.174 174.900 0.027 0.000 1.195 89 G CA -0.406 44.707 45.100 0.021 0.000 0.776 89 G HN 0.120 nan 8.290 nan 0.000 0.654 90 K N 0.292 120.695 120.400 0.006 0.000 2.032 90 K HA -0.002 4.317 4.320 -0.000 0.000 0.209 90 K C 2.309 178.912 176.600 0.003 0.000 1.048 90 K CA 2.229 58.517 56.287 0.002 0.000 0.927 90 K CB -0.310 32.187 32.500 -0.006 0.000 0.712 90 K HN 0.931 nan 8.250 nan 0.000 0.441 91 G N 0.230 109.032 108.800 0.004 0.000 3.496 91 G HA2 0.026 3.986 3.960 -0.000 0.000 0.273 91 G HA3 0.026 3.986 3.960 -0.000 0.000 0.273 91 G C -0.349 174.550 174.900 -0.002 0.000 1.279 91 G CA -0.289 44.810 45.100 -0.001 0.000 1.041 91 G HN 0.208 nan 8.290 nan 0.000 0.539 92 S N -0.070 115.634 115.700 0.007 0.000 2.562 92 S HA 0.406 4.875 4.470 -0.000 0.000 0.281 92 S C 1.810 176.385 174.600 -0.041 0.000 1.333 92 S CA 0.229 58.425 58.200 -0.006 0.000 1.052 92 S CB 1.158 64.372 63.200 0.023 0.000 0.884 92 S HN 0.480 nan 8.310 nan 0.000 0.506 93 A N 4.801 127.589 122.820 -0.054 0.000 1.969 93 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 93 A C 2.005 179.531 177.584 -0.098 0.000 1.169 93 A CA 1.090 53.090 52.037 -0.063 0.000 0.635 93 A CB -0.652 18.315 19.000 -0.054 0.000 0.810 93 A HN 0.845 nan 8.150 nan 0.000 0.445 94 L N -0.583 120.545 121.223 -0.157 0.000 2.046 94 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 94 L C 2.379 179.137 176.870 -0.187 0.000 1.077 94 L CA 1.447 56.141 54.840 -0.244 0.000 0.747 94 L CB -0.285 41.459 42.059 -0.526 0.000 0.896 94 L HN 0.399 nan 8.230 nan 0.000 0.432 95 I N -0.835 119.655 120.570 -0.134 0.000 2.277 95 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 95 I C 1.964 178.044 176.117 -0.063 0.000 1.094 95 I CA 1.299 62.553 61.300 -0.077 0.000 1.393 95 I CB -0.287 37.696 38.000 -0.029 0.000 1.078 95 I HN 0.316 nan 8.210 nan 0.000 0.417 96 N N 0.834 119.501 118.700 -0.056 0.000 2.120 96 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 96 N C 0.680 176.162 175.510 -0.046 0.000 1.024 96 N CA 1.375 54.399 53.050 -0.043 0.000 0.852 96 N CB -0.093 38.373 38.487 -0.034 0.000 1.003 96 N HN 0.282 nan 8.380 nan 0.000 0.424 97 D N 0.769 121.134 120.400 -0.058 0.000 2.336 97 D HA 0.011 4.651 4.640 -0.000 0.000 0.229 97 D C -0.089 176.178 176.300 -0.055 0.000 1.061 97 D CA 0.307 54.276 54.000 -0.052 0.000 0.875 97 D CB 0.003 40.771 40.800 -0.053 0.000 0.904 97 D HN -0.006 nan 8.370 nan 0.000 0.525 98 K N 0.279 120.641 120.400 -0.063 0.000 3.278 98 K HA -0.266 4.054 4.320 -0.000 0.000 0.270 98 K C 0.581 177.137 176.600 -0.074 0.000 0.955 98 K CA 0.179 56.426 56.287 -0.066 0.000 0.723 98 K CB -0.887 31.583 32.500 -0.050 0.000 1.382 98 K HN 0.250 nan 8.250 nan 0.000 0.461 99 R N -0.770 119.674 120.500 -0.095 0.000 2.334 99 R HA 0.196 4.535 4.340 -0.000 0.000 0.212 99 R C 0.342 176.573 176.300 -0.116 0.000 0.897 99 R CA 0.800 56.842 56.100 -0.097 0.000 1.056 99 R CB 0.589 30.822 30.300 -0.112 0.000 1.046 99 R HN 0.337 nan 8.270 nan 0.000 0.513 100 A N 0.312 123.050 122.820 -0.137 0.000 2.413 100 A HA 0.738 5.058 4.320 -0.000 0.000 0.307 100 A C -1.043 176.432 177.584 -0.182 0.000 1.087 100 A CA -0.815 51.144 52.037 -0.130 0.000 0.750 100 A CB 1.312 20.246 19.000 -0.110 0.000 1.296 100 A HN 0.045 nan 8.150 nan 0.000 0.423 101 R N 0.591 120.932 120.500 -0.266 0.000 2.621 101 R HA 0.663 5.003 4.340 -0.000 0.000 0.284 101 R C -1.441 174.577 176.300 -0.470 0.000 0.998 101 R CA -0.403 55.346 56.100 -0.585 0.000 0.895 101 R CB 1.894 31.487 30.300 -1.180 0.000 1.195 101 R HN 0.720 nan 8.270 nan 0.000 0.450 102 T N 0.929 115.268 114.554 -0.358 0.000 2.863 102 T HA 0.692 5.042 4.350 -0.000 0.000 0.285 102 T C -0.795 174.036 174.700 0.218 0.000 1.009 102 T CA -0.585 61.503 62.100 -0.019 0.000 0.989 102 T CB 1.962 70.840 68.868 0.016 0.000 1.004 102 T HN 0.628 nan 8.240 nan 0.000 0.455 103 A N 2.652 125.697 122.820 0.375 0.000 2.331 103 A HA 0.641 4.961 4.320 -0.000 0.000 0.320 103 A C -0.218 177.558 177.584 0.321 0.000 1.138 103 A CA -0.735 51.548 52.037 0.410 0.000 0.790 103 A CB 1.112 20.325 19.000 0.354 0.000 1.206 103 A HN 0.756 nan 8.150 nan 0.000 0.470 104 Q N 1.669 121.645 119.800 0.293 0.000 2.304 104 Q HA 0.468 4.807 4.340 -0.000 0.000 0.260 104 Q C -0.126 175.967 176.000 0.155 0.000 0.965 104 Q CA 0.185 56.121 55.803 0.221 0.000 0.898 104 Q CB 0.593 29.318 28.738 -0.021 0.000 1.196 104 Q HN 0.849 nan 8.270 nan 0.000 0.402 105 T N 0.648 115.277 114.554 0.124 0.000 2.887 105 T HA 0.588 4.938 4.350 -0.000 0.000 0.292 105 T C -2.732 171.917 174.700 -0.086 0.000 1.087 105 T CA -2.210 59.932 62.100 0.071 0.000 1.009 105 T CB 1.633 70.586 68.868 0.140 0.000 1.203 105 T HN 0.425 nan 8.240 nan 0.000 0.518 106 P HA 0.416 nan 4.420 nan 0.000 0.252 106 P C 0.757 178.004 177.300 -0.089 0.000 1.727 106 P CA 0.844 63.800 63.100 -0.240 0.000 1.134 106 P CB -0.326 31.126 31.700 -0.414 0.000 1.876 107 G N 2.657 111.447 108.800 -0.017 0.000 2.828 107 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.463 107 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.463 107 G C 0.991 175.922 174.900 0.052 0.000 1.394 107 G CA -0.461 44.659 45.100 0.034 0.000 0.862 107 G HN 0.452 nan 8.290 nan 0.000 0.540 108 G N -1.427 107.400 108.800 0.046 0.000 2.408 108 G HA2 0.097 4.057 3.960 -0.000 0.000 0.217 108 G HA3 0.097 4.057 3.960 -0.000 0.000 0.217 108 G C 1.856 176.807 174.900 0.084 0.000 1.150 108 G CA 2.379 47.504 45.100 0.042 0.000 0.776 108 G HN 1.250 nan 8.290 nan 0.000 0.542 109 T N 1.147 115.764 114.554 0.106 0.000 2.674 109 T HA -0.060 4.289 4.350 -0.000 0.000 0.265 109 T C 2.530 177.291 174.700 0.103 0.000 1.039 109 T CA 1.425 63.627 62.100 0.171 0.000 1.150 109 T CB -0.701 68.291 68.868 0.207 0.000 0.864 109 T HN 0.333 nan 8.240 nan 0.000 0.427 110 G N 1.104 109.943 108.800 0.065 0.000 2.450 110 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.220 110 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.220 110 G C 1.777 176.746 174.900 0.115 0.000 1.130 110 G CA 0.986 46.120 45.100 0.056 0.000 0.760 110 G HN 0.604 nan 8.290 nan 0.000 0.557 111 A N 0.260 123.150 122.820 0.116 0.000 1.897 111 A HA 0.161 4.480 4.320 -0.000 0.000 0.215 111 A C 2.332 180.007 177.584 0.151 0.000 1.181 111 A CA 1.176 53.300 52.037 0.145 0.000 0.620 111 A CB -0.354 18.730 19.000 0.140 0.000 0.821 111 A HN 0.280 nan 8.150 nan 0.000 0.443 112 L N -0.162 121.139 121.223 0.130 0.000 1.989 112 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 112 L C 2.539 179.431 176.870 0.036 0.000 1.071 112 L CA 2.254 57.152 54.840 0.097 0.000 0.749 112 L CB -1.224 40.863 42.059 0.046 0.000 0.890 112 L HN 0.493 nan 8.230 nan 0.000 0.431 113 R N -0.465 120.047 120.500 0.019 0.000 2.083 113 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 113 R C 2.188 178.553 176.300 0.108 0.000 1.137 113 R CA 1.959 58.074 56.100 0.026 0.000 0.951 113 R CB -1.030 29.297 30.300 0.045 0.000 0.851 113 R HN 0.189 nan 8.270 nan 0.000 0.434 114 V N 0.906 120.910 119.914 0.149 0.000 2.287 114 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 114 V C 2.380 178.600 176.094 0.211 0.000 1.053 114 V CA 2.061 64.463 62.300 0.169 0.000 1.027 114 V CB -1.024 30.905 31.823 0.177 0.000 0.646 114 V HN 0.580 nan 8.190 nan 0.000 0.447 115 A N -0.261 122.695 122.820 0.227 0.000 1.933 115 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 115 A C 2.408 180.215 177.584 0.372 0.000 1.175 115 A CA 2.109 54.333 52.037 0.312 0.000 0.628 115 A CB -0.709 18.475 19.000 0.308 0.000 0.814 115 A HN 0.582 nan 8.150 nan 0.000 0.444 116 A N 0.154 123.157 122.820 0.305 0.000 1.858 116 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 116 A C 1.809 179.520 177.584 0.212 0.000 1.190 116 A CA 1.863 54.080 52.037 0.300 0.000 0.617 116 A CB -0.644 18.493 19.000 0.229 0.000 0.827 116 A HN 0.441 nan 8.150 nan 0.000 0.443 117 D N -1.051 119.454 120.400 0.175 0.000 2.144 117 D HA -0.138 4.501 4.640 -0.000 0.000 0.199 117 D C 1.615 178.000 176.300 0.142 0.000 0.984 117 D CA 1.362 55.440 54.000 0.129 0.000 0.834 117 D CB -0.470 40.396 40.800 0.110 0.000 0.955 117 D HN 0.486 nan 8.370 nan 0.000 0.465 118 F N 1.449 121.442 119.950 0.072 0.000 2.069 118 F HA -0.174 4.353 4.527 -0.001 0.000 0.298 118 F C 2.069 177.914 175.800 0.076 0.000 1.113 118 F CA 1.313 59.352 58.000 0.066 0.000 1.214 118 F CB -0.465 38.582 39.000 0.078 0.000 0.978 118 F HN -0.117 nan 8.300 nan 0.000 0.474 119 L N 0.217 121.353 121.223 -0.145 0.000 2.056 119 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 119 L C 2.872 179.652 176.870 -0.151 0.000 1.078 119 L CA 1.204 55.908 54.840 -0.227 0.000 0.749 119 L CB -1.299 40.789 42.059 0.049 0.000 0.901 119 L HN 0.281 nan 8.230 nan 0.000 0.433 120 A N 0.312 123.107 122.820 -0.043 0.000 1.933 120 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 120 A C 2.221 179.772 177.584 -0.054 0.000 1.175 120 A CA 1.601 53.624 52.037 -0.023 0.000 0.628 120 A CB -0.238 18.777 19.000 0.024 0.000 0.814 120 A HN 0.368 nan 8.150 nan 0.000 0.444 121 K N -0.966 119.386 120.400 -0.080 0.000 2.356 121 K HA 0.128 4.448 4.320 -0.000 0.000 0.195 121 K C 0.280 176.811 176.600 -0.115 0.000 1.037 121 K CA 0.448 56.691 56.287 -0.073 0.000 1.014 121 K CB 0.023 32.502 32.500 -0.036 0.000 0.815 121 K HN 0.427 nan 8.250 nan 0.000 0.507 122 N N 1.215 119.776 118.700 -0.231 0.000 2.171 122 N HA 0.007 4.746 4.740 -0.000 0.000 0.212 122 N C 0.274 175.650 175.510 -0.225 0.000 1.184 122 N CA 0.331 53.233 53.050 -0.247 0.000 0.888 122 N CB 1.317 39.564 38.487 -0.400 0.000 1.038 122 N HN 0.298 nan 8.380 nan 0.000 0.517 123 T N -2.567 111.864 114.554 -0.205 0.000 2.864 123 T HA 0.266 4.615 4.350 -0.000 0.000 0.289 123 T C 0.909 175.574 174.700 -0.058 0.000 1.082 123 T CA -0.544 61.484 62.100 -0.119 0.000 1.009 123 T CB 1.607 70.400 68.868 -0.124 0.000 1.234 123 T HN -0.083 nan 8.240 nan 0.000 0.526 124 S N -0.371 115.318 115.700 -0.019 0.000 2.593 124 S HA 0.192 4.662 4.470 -0.000 0.000 0.217 124 S C 0.647 175.254 174.600 0.013 0.000 0.966 124 S CA -0.444 57.757 58.200 0.002 0.000 0.914 124 S CB -0.728 62.482 63.200 0.017 0.000 0.776 124 S HN 0.672 nan 8.310 nan 0.000 0.523 125 V N 2.981 122.901 119.914 0.009 0.000 2.617 125 V HA 0.209 4.328 4.120 -0.000 0.000 0.304 125 V C 0.344 176.445 176.094 0.012 0.000 1.040 125 V CA 0.333 62.646 62.300 0.022 0.000 1.149 125 V CB 0.131 31.970 31.823 0.026 0.000 0.914 125 V HN 0.372 nan 8.190 nan 0.000 0.487 134 W N 6.073 127.210 121.300 -0.273 0.000 2.332 134 W HA 0.694 5.354 4.660 -0.000 0.000 0.306 134 W C 0.318 176.782 176.519 -0.092 0.000 1.149 134 W CA 0.105 57.354 57.345 -0.159 0.000 1.271 134 W CB 1.693 31.034 29.460 -0.198 0.000 1.243 134 W HN 0.806 nan 8.180 nan 0.000 0.459 135 V N 1.301 121.227 119.914 0.021 0.000 3.103 135 V HA 0.781 4.900 4.120 -0.000 0.000 0.318 135 V C 0.242 175.999 176.094 -0.562 0.000 1.114 135 V CA -1.044 61.177 62.300 -0.131 0.000 1.020 135 V CB 1.352 33.109 31.823 -0.109 0.000 1.085 135 V HN 0.477 nan 8.190 nan 0.000 0.446 136 S N 1.705 116.924 115.700 -0.802 0.000 2.645 136 S HA 0.424 4.894 4.470 -0.000 0.000 0.266 136 S C -0.154 174.201 174.600 -0.409 0.000 1.258 136 S CA -0.563 56.997 58.200 -1.066 0.000 0.990 136 S CB 0.810 63.447 63.200 -0.938 0.000 0.967 136 S HN 0.988 nan 8.310 nan 0.000 0.556 137 N N 2.300 120.849 118.700 -0.252 0.000 2.518 137 N HA 0.484 5.224 4.740 -0.000 0.000 0.254 137 N C -2.854 172.699 175.510 0.072 0.000 0.979 137 N CA -1.614 51.407 53.050 -0.048 0.000 0.930 137 N CB 1.522 40.015 38.487 0.010 0.000 1.152 137 N HN 0.475 nan 8.380 nan 0.000 0.505 138 P HA 0.408 nan 4.420 nan 0.000 0.284 138 P C -0.677 176.576 177.300 -0.078 0.000 1.287 138 P CA -0.444 62.650 63.100 -0.010 0.000 0.824 138 P CB 1.573 33.273 31.700 0.001 0.000 1.180 139 S N -1.749 113.914 115.700 -0.062 0.000 2.705 139 S HA 0.463 4.933 4.470 -0.000 0.000 0.280 139 S C -1.870 172.753 174.600 0.038 0.000 1.174 139 S CA -0.641 57.554 58.200 -0.008 0.000 0.823 139 S CB 0.179 63.494 63.200 0.192 0.000 1.162 139 S HN 0.446 nan 8.310 nan 0.000 0.487 140 W N 4.083 125.309 121.300 -0.125 0.000 2.397 140 W HA 0.339 4.999 4.660 -0.001 0.000 0.327 140 W C -2.115 174.283 176.519 -0.202 0.000 1.421 140 W CA -1.657 55.531 57.345 -0.261 0.000 1.288 140 W CB 0.165 29.356 29.460 -0.448 0.000 1.312 140 W HN 0.508 nan 8.180 nan 0.000 0.559 141 P HA -0.302 nan 4.420 nan 0.000 0.217 141 P C 1.281 178.211 177.300 -0.617 0.000 1.151 141 P CA 2.116 64.984 63.100 -0.386 0.000 0.849 141 P CB 0.179 31.717 31.700 -0.271 0.000 0.787 142 N N -1.427 116.492 118.700 -1.302 0.000 2.443 142 N HA -0.154 4.585 4.740 -0.000 0.000 0.184 142 N C 1.582 176.575 175.510 -0.863 0.000 1.037 142 N CA 0.808 53.066 53.050 -1.320 0.000 0.896 142 N CB -0.637 36.731 38.487 -1.864 0.000 0.959 142 N HN 0.330 nan 8.380 nan 0.000 0.442 143 H N -0.555 118.174 119.070 -0.569 0.000 2.290 143 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 143 H C 2.001 177.303 175.328 -0.043 0.000 1.087 143 H CA 1.512 57.483 56.048 -0.128 0.000 1.291 143 H CB 0.138 30.000 29.762 0.166 0.000 1.369 143 H HN 0.134 nan 8.280 nan 0.000 0.492 144 K N 0.436 120.886 120.400 0.082 0.000 2.009 144 K HA -0.152 4.167 4.320 -0.000 0.000 0.210 144 K C 2.401 178.992 176.600 -0.015 0.000 1.049 144 K CA 1.813 58.136 56.287 0.059 0.000 0.929 144 K CB 0.082 32.572 32.500 -0.017 0.000 0.714 144 K HN 0.165 nan 8.250 nan 0.000 0.440 145 S N 0.500 116.126 115.700 -0.123 0.000 2.370 145 S HA -0.178 4.291 4.470 -0.000 0.000 0.226 145 S C 2.091 176.609 174.600 -0.137 0.000 1.033 145 S CA 1.455 59.577 58.200 -0.130 0.000 1.011 145 S CB -0.807 62.292 63.200 -0.169 0.000 0.852 145 S HN 0.391 nan 8.310 nan 0.000 0.457 146 V N 0.425 120.198 119.914 -0.233 0.000 2.261 146 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 146 V C 1.960 177.901 176.094 -0.256 0.000 1.047 146 V CA 1.649 63.777 62.300 -0.287 0.000 1.015 146 V CB -1.260 30.347 31.823 -0.360 0.000 0.642 146 V HN 0.331 nan 8.190 nan 0.000 0.446 147 F N 1.749 121.702 119.950 0.005 0.000 2.134 147 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 147 F C 2.476 178.267 175.800 -0.016 0.000 1.097 147 F CA 1.990 59.991 58.000 0.000 0.000 1.264 147 F CB -1.240 37.752 39.000 -0.014 0.000 1.001 147 F HN 0.222 nan 8.300 nan 0.000 0.479 148 N N -0.076 118.697 118.700 0.122 0.000 2.223 148 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 148 N C 1.919 177.446 175.510 0.029 0.000 1.016 148 N CA 1.363 54.444 53.050 0.053 0.000 0.863 148 N CB -0.613 37.882 38.487 0.012 0.000 0.983 148 N HN 0.146 nan 8.380 nan 0.000 0.429 149 S N 0.388 116.092 115.700 0.007 0.000 2.399 149 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 149 S C 1.778 176.391 174.600 0.021 0.000 1.022 149 S CA 0.910 59.110 58.200 -0.000 0.000 0.983 149 S CB -0.095 63.091 63.200 -0.022 0.000 0.803 149 S HN 0.491 nan 8.310 nan 0.000 0.480 150 A N 0.395 123.244 122.820 0.047 0.000 2.238 150 A HA 0.496 4.816 4.320 -0.000 0.000 0.208 150 A C 1.509 179.128 177.584 0.058 0.000 1.177 150 A CA 0.604 52.680 52.037 0.065 0.000 0.804 150 A CB -0.785 18.283 19.000 0.113 0.000 0.823 150 A HN 0.850 nan 8.150 nan 0.000 0.482 151 G N -1.439 107.389 108.800 0.048 0.000 2.182 151 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.248 151 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.248 151 G C -0.149 174.770 174.900 0.032 0.000 1.042 151 G CA 0.414 45.533 45.100 0.031 0.000 0.775 151 G HN 0.323 nan 8.290 nan 0.000 0.501 155 V N 2.786 122.585 119.914 -0.192 0.000 2.407 155 V HA 0.667 4.786 4.120 -0.000 0.000 0.291 155 V C -0.548 175.319 176.094 -0.377 0.000 1.018 155 V CA -0.472 61.671 62.300 -0.261 0.000 0.842 155 V CB 1.164 32.911 31.823 -0.127 0.000 0.996 155 V HN 0.552 nan 8.190 nan 0.000 0.426 156 R N 4.031 124.131 120.500 -0.667 0.000 2.606 156 R HA 0.698 5.038 4.340 -0.000 0.000 0.249 156 R C -0.731 175.266 176.300 -0.506 0.000 1.127 156 R CA -0.709 54.885 56.100 -0.844 0.000 1.133 156 R CB 1.419 30.606 30.300 -1.855 0.000 1.243 156 R HN 0.841 nan 8.270 nan 0.000 0.558 157 E N 0.531 120.561 120.200 -0.283 0.000 2.317 157 E HA 0.299 4.649 4.350 -0.000 0.000 0.270 157 E C -1.308 175.456 176.600 0.274 0.000 0.885 157 E CA -0.745 55.643 56.400 -0.020 0.000 0.760 157 E CB 2.251 31.914 29.700 -0.062 0.000 1.227 157 E HN 0.472 nan 8.360 nan 0.000 0.434 158 Y N -0.781 119.636 120.300 0.195 0.000 2.509 158 Y HA 0.776 5.325 4.550 -0.000 0.000 0.341 158 Y C -0.268 175.718 175.900 0.143 0.000 1.038 158 Y CA -1.421 56.789 58.100 0.183 0.000 1.089 158 Y CB 0.846 39.370 38.460 0.106 0.000 1.241 158 Y HN 0.520 nan 8.280 nan 0.000 0.468 159 A N 2.034 125.020 122.820 0.276 0.000 2.407 159 A HA 0.377 4.697 4.320 -0.000 0.000 0.248 159 A C -0.768 176.993 177.584 0.295 0.000 1.082 159 A CA 0.173 52.327 52.037 0.194 0.000 0.785 159 A CB -0.022 19.051 19.000 0.123 0.000 1.020 159 A HN 1.055 nan 8.150 nan 0.000 0.489 160 Y N 0.690 121.034 120.300 0.073 0.000 3.189 160 Y HA 0.214 4.764 4.550 -0.000 0.000 0.213 160 Y C -0.153 175.804 175.900 0.095 0.000 1.032 160 Y CA 0.109 58.256 58.100 0.079 0.000 1.482 160 Y CB 0.081 38.514 38.460 -0.046 0.000 1.460 160 Y HN 0.686 nan 8.280 nan 0.000 0.398 161 Y N 2.879 123.224 120.300 0.074 0.000 2.310 161 Y HA 0.405 4.955 4.550 -0.000 0.000 0.326 161 Y C -0.593 175.301 175.900 -0.009 0.000 1.151 161 Y CA -1.321 56.788 58.100 0.014 0.000 1.195 161 Y CB 0.817 39.371 38.460 0.157 0.000 1.210 161 Y HN 0.178 nan 8.280 nan 0.000 0.483 162 D N 4.970 124.923 120.400 -0.745 0.000 2.493 162 D HA 0.278 4.918 4.640 -0.000 0.000 0.235 162 D C 0.780 176.358 176.300 -1.203 0.000 1.117 162 D CA 0.250 53.805 54.000 -0.742 0.000 0.930 162 D CB 0.810 41.396 40.800 -0.357 0.000 1.010 162 D HN 0.827 nan 8.370 nan 0.000 0.514 163 A N 3.725 125.770 122.820 -1.292 0.000 2.009 163 A HA -0.271 4.049 4.320 -0.000 0.000 0.222 163 A C 1.898 179.139 177.584 -0.572 0.000 1.175 163 A CA 2.154 53.722 52.037 -0.782 0.000 0.651 163 A CB -0.392 18.422 19.000 -0.310 0.000 0.815 163 A HN 0.727 nan 8.150 nan 0.000 0.459 164 E N -1.151 118.725 120.200 -0.540 0.000 2.060 164 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 164 E C 1.158 177.391 176.600 -0.611 0.000 0.974 164 E CA 1.197 57.323 56.400 -0.457 0.000 0.808 164 E CB -0.272 29.265 29.700 -0.273 0.000 0.768 164 E HN 0.431 nan 8.360 nan 0.000 0.453 165 N N -0.201 118.184 118.700 -0.525 0.000 2.280 165 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 165 N C -0.864 174.465 175.510 -0.301 0.000 1.109 165 N CA 0.491 53.326 53.050 -0.358 0.000 0.855 165 N CB 0.100 38.484 38.487 -0.172 0.000 0.974 165 N HN 0.306 nan 8.380 nan 0.000 0.482 166 H N -1.056 117.928 119.070 -0.145 0.000 2.748 166 H HA -0.167 4.389 4.556 -0.000 0.000 0.322 166 H C 0.051 175.404 175.328 0.041 0.000 1.208 166 H CA 0.916 56.917 56.048 -0.078 0.000 1.151 166 H CB -1.917 27.408 29.762 -0.728 0.000 1.505 166 H HN 0.363 nan 8.280 nan 0.000 0.429 167 T N -3.277 111.350 114.554 0.122 0.000 2.647 167 T HA 0.475 4.825 4.350 -0.000 0.000 0.295 167 T C -0.447 174.261 174.700 0.014 0.000 1.126 167 T CA -1.296 60.847 62.100 0.072 0.000 1.040 167 T CB 1.761 70.639 68.868 0.016 0.000 1.472 167 T HN 0.151 nan 8.240 nan 0.000 0.500 168 L N 1.940 123.106 121.223 -0.095 0.000 2.315 168 L HA 0.340 4.680 4.340 -0.000 0.000 0.283 168 L C -0.465 176.323 176.870 -0.135 0.000 1.089 168 L CA 0.023 54.713 54.840 -0.249 0.000 0.833 168 L CB 0.714 42.609 42.059 -0.274 0.000 1.170 168 L HN 0.826 nan 8.230 nan 0.000 0.442 169 D N 4.379 124.694 120.400 -0.143 0.000 2.517 169 D HA -0.033 4.606 4.640 -0.000 0.000 0.220 169 D C 0.976 177.291 176.300 0.025 0.000 1.158 169 D CA -0.192 53.773 54.000 -0.058 0.000 0.992 169 D CB 0.169 40.916 40.800 -0.087 0.000 1.058 169 D HN 0.403 nan 8.370 nan 0.000 0.516 170 F N 1.936 121.817 119.950 -0.115 0.000 2.091 170 F HA -0.223 4.304 4.527 -0.001 0.000 0.299 170 F C 1.767 177.549 175.800 -0.030 0.000 1.103 170 F CA 1.497 59.452 58.000 -0.075 0.000 1.228 170 F CB 0.189 39.147 39.000 -0.070 0.000 0.984 170 F HN 0.336 nan 8.300 nan 0.000 0.477 171 D N -0.272 120.111 120.400 -0.029 0.000 2.117 171 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 171 D C 2.374 178.624 176.300 -0.084 0.000 0.982 171 D CA 1.354 55.304 54.000 -0.083 0.000 0.828 171 D CB -0.658 40.126 40.800 -0.027 0.000 0.967 171 D HN 0.330 nan 8.370 nan 0.000 0.464 172 A N 1.445 124.236 122.820 -0.048 0.000 1.902 172 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 172 A C 2.152 179.729 177.584 -0.011 0.000 1.181 172 A CA 1.153 53.176 52.037 -0.023 0.000 0.623 172 A CB -0.662 18.331 19.000 -0.012 0.000 0.818 172 A HN 0.252 nan 8.150 nan 0.000 0.443 173 L N 0.118 121.327 121.223 -0.024 0.000 1.994 173 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 173 L C 2.095 178.894 176.870 -0.120 0.000 1.071 173 L CA 1.833 56.681 54.840 0.014 0.000 0.745 173 L CB -0.821 41.285 42.059 0.078 0.000 0.892 173 L HN 0.401 nan 8.230 nan 0.000 0.431 174 I N 0.435 120.844 120.570 -0.268 0.000 2.454 174 I HA -0.251 3.919 4.170 -0.000 0.000 0.254 174 I C 1.916 177.963 176.117 -0.117 0.000 1.156 174 I CA 1.019 62.176 61.300 -0.237 0.000 1.433 174 I CB -0.672 37.118 38.000 -0.351 0.000 1.082 174 I HN 0.482 nan 8.210 nan 0.000 0.432 175 N N 0.758 119.405 118.700 -0.089 0.000 2.216 175 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 175 N C 1.935 177.427 175.510 -0.030 0.000 1.017 175 N CA 1.541 54.563 53.050 -0.046 0.000 0.861 175 N CB -0.173 38.296 38.487 -0.031 0.000 0.986 175 N HN 0.343 nan 8.380 nan 0.000 0.428 176 S N 1.477 117.169 115.700 -0.013 0.000 2.406 176 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 176 S C 2.107 176.613 174.600 -0.157 0.000 1.020 176 S CA 0.388 58.599 58.200 0.019 0.000 0.965 176 S CB -0.474 62.819 63.200 0.155 0.000 0.798 176 S HN 0.205 nan 8.310 nan 0.000 0.488 177 L N 2.004 123.075 121.223 -0.254 0.000 2.353 177 L HA -0.058 4.282 4.340 -0.000 0.000 0.220 177 L C 2.133 178.840 176.870 -0.271 0.000 1.133 177 L CA 0.745 55.286 54.840 -0.499 0.000 0.798 177 L CB -0.711 41.026 42.059 -0.537 0.000 0.922 177 L HN 0.425 nan 8.230 nan 0.000 0.445 178 N N 0.079 118.717 118.700 -0.103 0.000 2.459 178 N HA -0.173 4.567 4.740 -0.000 0.000 0.181 178 N C 1.394 176.878 175.510 -0.043 0.000 1.046 178 N CA 0.647 53.689 53.050 -0.014 0.000 0.904 178 N CB 0.156 38.645 38.487 0.004 0.000 0.964 178 N HN 0.249 nan 8.380 nan 0.000 0.444 179 E N 1.075 121.209 120.200 -0.110 0.000 2.494 179 E HA 0.134 4.484 4.350 -0.000 0.000 0.193 179 E C -0.402 176.218 176.600 0.032 0.000 1.074 179 E CA -0.200 56.215 56.400 0.025 0.000 0.867 179 E CB -0.075 29.743 29.700 0.196 0.000 0.924 179 E HN 0.197 nan 8.360 nan 0.000 0.502 180 A N 0.763 123.418 122.820 -0.276 0.000 2.290 180 A HA 0.430 4.749 4.320 -0.000 0.000 0.310 180 A C -0.262 177.372 177.584 0.083 0.000 1.202 180 A CA -0.609 51.240 52.037 -0.314 0.000 0.837 180 A CB 0.453 18.733 19.000 -1.201 0.000 1.139 180 A HN 0.213 nan 8.150 nan 0.000 0.509 181 Q N 1.196 121.099 119.800 0.172 0.000 2.221 181 Q HA 0.571 4.911 4.340 -0.000 0.000 0.242 181 Q C 0.151 176.303 176.000 0.254 0.000 0.940 181 Q CA -0.648 55.271 55.803 0.193 0.000 0.896 181 Q CB 1.369 30.200 28.738 0.156 0.000 1.226 181 Q HN 0.854 nan 8.270 nan 0.000 0.463 182 A N 0.697 123.629 122.820 0.187 0.000 2.524 182 A HA 0.416 4.735 4.320 -0.000 0.000 0.250 182 A C 1.101 178.788 177.584 0.173 0.000 1.078 182 A CA 0.811 52.950 52.037 0.169 0.000 0.761 182 A CB -0.784 18.260 19.000 0.074 0.000 1.012 182 A HN 1.012 nan 8.150 nan 0.000 0.500 183 G N 2.105 111.029 108.800 0.207 0.000 2.179 183 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.220 183 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.220 183 G C -0.184 174.821 174.900 0.175 0.000 0.990 183 G CA 0.188 45.388 45.100 0.165 0.000 0.646 183 G HN 0.780 nan 8.290 nan 0.000 0.517 184 D N -0.033 120.501 120.400 0.224 0.000 2.253 184 D HA 0.561 5.201 4.640 -0.000 0.000 0.249 184 D C 0.398 176.794 176.300 0.161 0.000 1.049 184 D CA -0.238 53.880 54.000 0.196 0.000 0.929 184 D CB 1.920 42.856 40.800 0.227 0.000 1.176 184 D HN 0.069 nan 8.370 nan 0.000 0.437 185 V N 2.229 122.210 119.914 0.112 0.000 2.432 185 V HA 0.234 4.353 4.120 -0.000 0.000 0.275 185 V C 0.044 176.123 176.094 -0.025 0.000 1.043 185 V CA -0.541 61.786 62.300 0.045 0.000 0.925 185 V CB 1.569 33.372 31.823 -0.033 0.000 0.985 185 V HN 0.230 nan 8.190 nan 0.000 0.466 186 V N 6.815 126.662 119.914 -0.112 0.000 2.370 186 V HA 0.420 4.540 4.120 -0.000 0.000 0.283 186 V C -0.148 175.684 176.094 -0.436 0.000 1.023 186 V CA -0.523 61.567 62.300 -0.350 0.000 0.857 186 V CB 1.634 33.064 31.823 -0.655 0.000 0.985 186 V HN 0.715 nan 8.190 nan 0.000 0.443 187 L N 5.708 126.683 121.223 -0.413 0.000 2.292 187 L HA 0.649 4.989 4.340 -0.000 0.000 0.284 187 L C -1.258 175.301 176.870 -0.519 0.000 1.065 187 L CA 0.059 54.665 54.840 -0.389 0.000 0.806 187 L CB 0.704 42.575 42.059 -0.313 0.000 1.175 187 L HN 0.490 nan 8.230 nan 0.000 0.431 188 F N 2.874 122.660 119.950 -0.273 0.000 2.520 188 F HA 0.406 4.932 4.527 -0.001 0.000 0.322 188 F C 0.147 175.859 175.800 -0.146 0.000 1.103 188 F CA -0.643 57.219 58.000 -0.230 0.000 0.926 188 F CB 1.286 39.853 39.000 -0.721 0.000 1.154 188 F HN 0.373 nan 8.300 nan 0.000 0.453 189 H N 2.228 121.429 119.070 0.218 0.000 2.782 189 H HA 0.110 4.665 4.556 -0.000 0.000 0.285 189 H C 1.123 176.562 175.328 0.184 0.000 1.093 189 H CA 0.395 56.522 56.048 0.133 0.000 1.410 189 H CB 1.476 31.299 29.762 0.100 0.000 1.439 189 H HN 0.981 nan 8.280 nan 0.000 0.469 190 G N 3.345 112.073 108.800 -0.121 0.000 2.505 190 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 190 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 190 G C 0.659 175.379 174.900 -0.299 0.000 1.145 190 G CA 1.229 45.915 45.100 -0.690 0.000 0.761 190 G HN 0.764 nan 8.290 nan 0.000 0.571 191 C N -5.340 113.887 119.300 -0.122 0.000 3.253 191 C HA 0.470 4.929 4.460 -0.000 0.000 0.342 191 C C 0.376 175.484 174.990 0.198 0.000 1.306 191 C CA -0.936 58.183 59.018 0.168 0.000 1.207 191 C CB 0.594 28.447 27.740 0.188 0.000 1.479 191 C HN 1.041 nan 8.230 nan 0.000 0.469 192 C N 2.208 121.653 119.300 0.242 0.000 3.896 192 C HA -0.119 4.341 4.460 -0.000 0.000 0.300 192 C C 0.598 175.719 174.990 0.220 0.000 1.322 192 C CA 1.121 60.271 59.018 0.220 0.000 2.130 192 C CB -3.459 24.390 27.740 0.182 0.000 1.363 192 C HN 1.288 nan 8.230 nan 0.000 0.642 193 H N 1.688 120.834 119.070 0.126 0.000 3.173 193 H HA 0.005 4.561 4.556 -0.000 0.000 0.311 193 H C 0.520 175.787 175.328 -0.101 0.000 0.972 193 H CA 1.433 57.438 56.048 -0.072 0.000 1.384 193 H CB 0.518 30.196 29.762 -0.139 0.000 1.349 193 H HN 0.700 nan 8.280 nan 0.000 0.582 194 N N 6.528 124.824 118.700 -0.673 0.000 2.444 194 N HA 0.178 4.918 4.740 -0.000 0.000 0.262 194 N C -2.394 172.713 175.510 -0.672 0.000 0.974 194 N CA -2.229 50.572 53.050 -0.416 0.000 0.933 194 N CB 1.507 39.914 38.487 -0.133 0.000 1.137 194 N HN 0.401 nan 8.380 nan 0.000 0.498 195 P HA 0.190 nan 4.420 nan 0.000 0.290 195 P C 0.662 177.619 177.300 -0.571 0.000 1.519 195 P CA 0.037 62.698 63.100 -0.732 0.000 1.189 195 P CB 0.329 31.570 31.700 -0.765 0.000 1.569 196 T N -4.599 109.727 114.554 -0.380 0.000 2.978 196 T HA 0.209 4.558 4.350 -0.000 0.000 0.262 196 T C 1.684 176.405 174.700 0.034 0.000 1.063 196 T CA 1.263 63.158 62.100 -0.340 0.000 1.140 196 T CB -1.118 67.508 68.868 -0.403 0.000 0.886 196 T HN 0.159 nan 8.240 nan 0.000 0.470 197 G N 1.332 110.229 108.800 0.161 0.000 2.159 197 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.256 197 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.256 197 G C 0.009 175.033 174.900 0.205 0.000 0.977 197 G CA 0.201 45.428 45.100 0.212 0.000 0.652 197 G HN 0.673 nan 8.290 nan 0.000 0.531 198 I N 1.845 122.527 120.570 0.186 0.000 2.312 198 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 198 I C -0.696 175.549 176.117 0.213 0.000 1.008 198 I CA -0.720 60.675 61.300 0.159 0.000 1.226 198 I CB 1.198 39.254 38.000 0.093 0.000 1.371 198 I HN -0.060 nan 8.210 nan 0.000 0.468 199 D N 7.613 128.118 120.400 0.174 0.000 2.350 199 D HA 0.494 5.134 4.640 -0.000 0.000 0.238 199 D C -2.403 173.886 176.300 -0.018 0.000 0.989 199 D CA -1.361 52.751 54.000 0.185 0.000 0.921 199 D CB 1.618 42.583 40.800 0.275 0.000 1.297 199 D HN 0.142 nan 8.370 nan 0.000 0.490 200 P HA 0.181 nan 4.420 nan 0.000 0.276 200 P C -0.006 177.105 177.300 -0.314 0.000 1.252 200 P CA -0.355 62.443 63.100 -0.504 0.000 0.802 200 P CB 0.318 31.369 31.700 -1.081 0.000 1.035 201 T N -1.606 112.792 114.554 -0.260 0.000 2.847 201 T HA 0.144 4.494 4.350 -0.000 0.000 0.279 201 T C 1.210 175.970 174.700 0.100 0.000 0.984 201 T CA -0.791 61.283 62.100 -0.043 0.000 0.988 201 T CB 0.276 69.103 68.868 -0.069 0.000 1.040 201 T HN 0.216 nan 8.240 nan 0.000 0.528 202 L N 0.387 121.736 121.223 0.209 0.000 2.042 202 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 202 L C 2.355 179.348 176.870 0.204 0.000 1.076 202 L CA 2.090 57.100 54.840 0.283 0.000 0.749 202 L CB -1.142 41.026 42.059 0.183 0.000 0.893 202 L HN 0.870 nan 8.230 nan 0.000 0.432 203 E N -0.658 119.593 120.200 0.085 0.000 2.110 203 E HA -0.262 4.087 4.350 -0.000 0.000 0.193 203 E C 2.128 178.736 176.600 0.013 0.000 0.988 203 E CA 1.342 57.769 56.400 0.044 0.000 0.804 203 E CB 0.008 29.709 29.700 0.002 0.000 0.745 203 E HN 0.657 nan 8.360 nan 0.000 0.458 204 Q N -0.527 119.198 119.800 -0.125 0.000 2.083 204 Q HA -0.145 4.194 4.340 -0.000 0.000 0.198 204 Q C 1.841 177.886 176.000 0.075 0.000 0.969 204 Q CA 1.211 56.832 55.803 -0.303 0.000 0.838 204 Q CB -0.189 28.023 28.738 -0.877 0.000 0.900 204 Q HN 0.400 nan 8.270 nan 0.000 0.436 205 W N 1.631 123.000 121.300 0.115 0.000 2.338 205 W HA -0.236 4.423 4.660 -0.000 0.000 0.304 205 W C 2.338 178.998 176.519 0.235 0.000 1.212 205 W CA 0.993 58.491 57.345 0.254 0.000 1.264 205 W CB 0.023 29.627 29.460 0.239 0.000 1.142 205 W HN 0.243 nan 8.180 nan 0.000 0.512 206 Q N -0.928 119.095 119.800 0.372 0.000 2.170 206 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 206 Q C 1.929 178.015 176.000 0.142 0.000 0.976 206 Q CA 1.888 57.811 55.803 0.201 0.000 0.858 206 Q CB -0.724 28.097 28.738 0.138 0.000 0.907 206 Q HN 0.239 nan 8.270 nan 0.000 0.433 207 T N 1.550 116.222 114.554 0.195 0.000 2.812 207 T HA -0.036 4.314 4.350 -0.000 0.000 0.264 207 T C 1.880 176.701 174.700 0.203 0.000 1.042 207 T CA 0.727 62.946 62.100 0.199 0.000 1.140 207 T CB -0.133 68.920 68.868 0.309 0.000 0.870 207 T HN 0.167 nan 8.240 nan 0.000 0.445 208 L N 0.813 122.234 121.223 0.330 0.000 2.131 208 L HA -0.068 4.271 4.340 -0.000 0.000 0.210 208 L C 2.979 179.897 176.870 0.079 0.000 1.092 208 L CA 1.010 56.065 54.840 0.358 0.000 0.759 208 L CB -0.642 41.755 42.059 0.563 0.000 0.903 208 L HN 0.247 nan 8.230 nan 0.000 0.435 209 A N -0.280 122.409 122.820 -0.218 0.000 1.898 209 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 209 A C 2.227 179.629 177.584 -0.304 0.000 1.181 209 A CA 1.337 52.944 52.037 -0.716 0.000 0.620 209 A CB -0.352 18.306 19.000 -0.570 0.000 0.819 209 A HN 0.434 nan 8.150 nan 0.000 0.442 210 Q N -1.021 118.686 119.800 -0.156 0.000 2.119 210 Q HA -0.088 4.251 4.340 -0.000 0.000 0.201 210 Q C 2.016 177.911 176.000 -0.174 0.000 0.972 210 Q CA 1.114 56.833 55.803 -0.140 0.000 0.847 210 Q CB -0.274 28.417 28.738 -0.078 0.000 0.903 210 Q HN 0.494 nan 8.270 nan 0.000 0.433 211 L N 0.372 121.507 121.223 -0.147 0.000 2.012 211 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 211 L C 2.266 178.812 176.870 -0.540 0.000 1.073 211 L CA 1.821 56.509 54.840 -0.253 0.000 0.748 211 L CB -1.169 40.834 42.059 -0.092 0.000 0.891 211 L HN 0.113 nan 8.230 nan 0.000 0.431 212 S N -1.357 114.148 115.700 -0.324 0.000 2.359 212 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 212 S C 2.089 176.550 174.600 -0.231 0.000 1.035 212 S CA 1.758 59.852 58.200 -0.177 0.000 1.018 212 S CB -0.450 63.022 63.200 0.453 0.000 0.876 212 S HN 0.485 nan 8.310 nan 0.000 0.448 213 V N 0.710 120.466 119.914 -0.263 0.000 2.379 213 V HA -0.023 4.097 4.120 -0.000 0.000 0.245 213 V C 2.166 178.090 176.094 -0.283 0.000 1.044 213 V CA 2.252 64.359 62.300 -0.322 0.000 1.036 213 V CB -0.835 30.733 31.823 -0.425 0.000 0.664 213 V HN 0.582 nan 8.190 nan 0.000 0.453 214 E N 0.288 120.308 120.200 -0.300 0.000 2.130 214 E HA -0.318 4.032 4.350 -0.000 0.000 0.196 214 E C 2.039 178.451 176.600 -0.313 0.000 0.998 214 E CA 1.905 58.145 56.400 -0.266 0.000 0.806 214 E CB 0.012 29.565 29.700 -0.244 0.000 0.738 214 E HN 0.605 nan 8.360 nan 0.000 0.459 215 K N -1.321 118.766 120.400 -0.521 0.000 2.323 215 K HA 0.100 4.420 4.320 -0.000 0.000 0.197 215 K C 0.891 177.238 176.600 -0.421 0.000 1.043 215 K CA 0.783 56.695 56.287 -0.625 0.000 0.997 215 K CB 0.609 32.267 32.500 -1.403 0.000 0.807 215 K HN 0.279 nan 8.250 nan 0.000 0.497 216 G N 0.077 108.697 108.800 -0.299 0.000 2.132 216 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.228 216 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.228 216 G C -0.469 174.524 174.900 0.155 0.000 1.000 216 G CA -0.263 44.810 45.100 -0.044 0.000 0.693 216 G HN 0.025 nan 8.290 nan 0.000 0.515 217 W N -0.890 120.481 121.300 0.119 0.000 2.161 217 W HA 0.687 5.347 4.660 -0.000 0.000 0.344 217 W C 0.378 177.022 176.519 0.208 0.000 1.262 217 W CA -1.304 56.122 57.345 0.135 0.000 1.270 217 W CB 0.379 29.924 29.460 0.141 0.000 1.126 217 W HN 0.208 nan 8.180 nan 0.000 0.598 218 L N 5.058 126.534 121.223 0.422 0.000 2.295 218 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 218 L C -2.336 174.718 176.870 0.306 0.000 1.018 218 L CA -2.110 52.929 54.840 0.331 0.000 0.841 218 L CB 0.844 43.052 42.059 0.248 0.000 1.218 218 L HN -0.031 nan 8.230 nan 0.000 0.424 219 P HA 0.218 nan 4.420 nan 0.000 0.276 219 P C -1.164 176.294 177.300 0.263 0.000 1.230 219 P CA 0.016 63.310 63.100 0.323 0.000 0.776 219 P CB 0.924 32.847 31.700 0.371 0.000 0.888 220 L N 4.290 125.610 121.223 0.160 0.000 2.372 220 L HA 0.489 4.829 4.340 -0.000 0.000 0.273 220 L C -1.087 175.847 176.870 0.106 0.000 0.989 220 L CA -0.749 54.189 54.840 0.164 0.000 0.841 220 L CB 0.521 42.633 42.059 0.087 0.000 1.225 220 L HN 0.180 nan 8.230 nan 0.000 0.414 221 F N 2.538 122.563 119.950 0.125 0.000 2.422 221 F HA 0.332 4.859 4.527 -0.001 0.000 0.333 221 F C 0.306 176.150 175.800 0.073 0.000 1.095 221 F CA -0.305 57.747 58.000 0.086 0.000 1.038 221 F CB 1.416 40.450 39.000 0.057 0.000 1.156 221 F HN 0.356 nan 8.300 nan 0.000 0.483 222 D N 3.363 123.842 120.400 0.132 0.000 2.441 222 D HA 0.185 4.825 4.640 -0.000 0.000 0.231 222 D C -1.467 174.851 176.300 0.030 0.000 1.073 222 D CA -0.227 53.810 54.000 0.062 0.000 0.850 222 D CB 0.263 41.016 40.800 -0.078 0.000 1.062 222 D HN 0.188 nan 8.370 nan 0.000 0.524 223 F N 2.909 122.884 119.950 0.043 0.000 2.307 223 F HA 0.485 5.012 4.527 -0.001 0.000 0.369 223 F C 0.792 176.570 175.800 -0.038 0.000 1.076 223 F CA -0.663 57.344 58.000 0.013 0.000 1.149 223 F CB 1.501 40.474 39.000 -0.045 0.000 1.410 223 F HN 0.519 nan 8.300 nan 0.000 0.481 224 A N 3.670 126.578 122.820 0.147 0.000 2.343 224 A HA 0.328 4.647 4.320 -0.000 0.000 0.223 224 A C 1.291 178.947 177.584 0.120 0.000 1.214 224 A CA 0.008 52.083 52.037 0.064 0.000 0.900 224 A CB 0.173 19.122 19.000 -0.086 0.000 0.942 224 A HN 0.618 nan 8.150 nan 0.000 0.507 225 R N 0.014 120.651 120.500 0.228 0.000 2.661 225 R HA 0.143 4.483 4.340 -0.000 0.000 0.429 225 R C -0.171 176.392 176.300 0.439 0.000 1.044 225 R CA -0.198 56.085 56.100 0.304 0.000 1.065 225 R CB 0.389 30.789 30.300 0.167 0.000 1.377 225 R HN 0.582 nan 8.270 nan 0.000 0.600 226 Q N 0.124 120.168 119.800 0.407 0.000 2.263 226 Q HA 0.112 4.451 4.340 -0.000 0.000 0.289 226 Q C 0.774 176.887 176.000 0.188 0.000 1.061 226 Q CA 1.638 57.637 55.803 0.326 0.000 0.927 226 Q CB 0.477 29.234 28.738 0.032 0.000 1.154 226 Q HN 0.554 nan 8.270 nan 0.000 0.378 227 G N 3.239 112.103 108.800 0.108 0.000 2.201 227 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.212 227 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.212 227 G C 0.129 174.896 174.900 -0.220 0.000 0.994 227 G CA 0.066 45.097 45.100 -0.116 0.000 0.644 227 G HN 0.652 nan 8.290 nan 0.000 0.508 228 F N 1.217 121.187 119.950 0.034 0.000 2.746 228 F HA 0.578 5.104 4.527 -0.001 0.000 0.297 228 F C 2.464 178.295 175.800 0.051 0.000 1.113 228 F CA 1.228 59.244 58.000 0.027 0.000 1.367 228 F CB 0.259 39.282 39.000 0.038 0.000 1.111 228 F HN 0.342 nan 8.300 nan 0.000 0.590 229 A N 0.364 123.320 122.820 0.227 0.000 1.878 229 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 229 A C 2.061 179.717 177.584 0.120 0.000 1.310 229 A CA 1.014 53.162 52.037 0.185 0.000 0.612 229 A CB -0.247 18.871 19.000 0.197 0.000 0.989 229 A HN 0.214 nan 8.150 nan 0.000 0.472 230 R N -2.264 118.292 120.500 0.092 0.000 2.225 230 R HA 0.417 4.757 4.340 -0.000 0.000 0.194 230 R C 0.630 176.928 176.300 -0.004 0.000 0.949 230 R CA 0.819 56.948 56.100 0.049 0.000 1.088 230 R CB 0.979 31.317 30.300 0.063 0.000 1.106 230 R HN 0.746 nan 8.270 nan 0.000 0.566 234 E N 0.617 120.793 120.200 -0.041 0.000 2.051 234 E HA -0.108 4.242 4.350 -0.000 0.000 0.189 234 E C 1.592 178.187 176.600 -0.008 0.000 0.979 234 E CA 1.291 57.671 56.400 -0.034 0.000 0.803 234 E CB 0.324 30.007 29.700 -0.028 0.000 0.761 234 E HN 0.438 nan 8.360 nan 0.000 0.451 235 E N 1.351 121.557 120.200 0.010 0.000 2.049 235 E HA -0.192 4.157 4.350 -0.000 0.000 0.198 235 E C 1.647 178.293 176.600 0.077 0.000 1.007 235 E CA 1.558 57.983 56.400 0.042 0.000 0.809 235 E CB -0.180 29.547 29.700 0.046 0.000 0.749 235 E HN 0.136 nan 8.360 nan 0.000 0.450 236 D N -0.611 119.850 120.400 0.101 0.000 2.357 236 D HA -0.145 4.494 4.640 -0.000 0.000 0.216 236 D C 0.979 177.430 176.300 0.251 0.000 0.973 236 D CA 1.217 55.332 54.000 0.192 0.000 0.912 236 D CB -0.090 40.853 40.800 0.239 0.000 0.900 236 D HN 0.253 nan 8.370 nan 0.000 0.501 237 A N -0.141 122.744 122.820 0.108 0.000 2.390 237 A HA 0.100 4.420 4.320 -0.000 0.000 0.232 237 A C 1.645 179.191 177.584 -0.063 0.000 1.233 237 A CA -0.226 51.837 52.037 0.044 0.000 0.907 237 A CB 0.105 19.003 19.000 -0.170 0.000 0.967 237 A HN 0.066 nan 8.150 nan 0.000 0.512 238 E N 0.251 120.430 120.200 -0.036 0.000 2.160 238 E HA -0.138 4.211 4.350 -0.000 0.000 0.195 238 E C 1.991 178.487 176.600 -0.173 0.000 0.991 238 E CA 0.925 57.294 56.400 -0.051 0.000 0.810 238 E CB -0.187 29.529 29.700 0.026 0.000 0.742 238 E HN 0.584 nan 8.360 nan 0.000 0.466 239 G N 1.890 110.421 108.800 -0.447 0.000 2.453 239 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 239 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 239 G C 1.548 176.003 174.900 -0.742 0.000 1.201 239 G CA 0.782 45.208 45.100 -1.124 0.000 0.784 239 G HN 0.203 nan 8.290 nan 0.000 0.545 240 L N 0.728 121.465 121.223 -0.809 0.000 2.043 240 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 240 L C 2.769 179.443 176.870 -0.327 0.000 1.075 240 L CA 2.015 56.294 54.840 -0.936 0.000 0.752 240 L CB -0.690 40.990 42.059 -0.631 0.000 0.891 240 L HN 0.141 nan 8.230 nan 0.000 0.432 241 R N -0.393 120.007 120.500 -0.166 0.000 2.096 241 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 241 R C 2.328 178.664 176.300 0.059 0.000 1.127 241 R CA 1.395 57.498 56.100 0.003 0.000 0.968 241 R CB -0.698 29.603 30.300 0.002 0.000 0.861 241 R HN 0.583 nan 8.270 nan 0.000 0.440 242 A N -0.251 122.609 122.820 0.065 0.000 1.930 242 A HA -0.124 4.195 4.320 -0.000 0.000 0.217 242 A C 1.800 179.504 177.584 0.200 0.000 1.175 242 A CA 1.085 53.203 52.037 0.135 0.000 0.627 242 A CB -0.522 18.585 19.000 0.178 0.000 0.815 242 A HN 0.216 nan 8.150 nan 0.000 0.443 243 F N 0.221 120.198 119.950 0.044 0.000 2.113 243 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 243 F C 2.797 178.728 175.800 0.217 0.000 1.103 243 F CA 0.878 58.981 58.000 0.171 0.000 1.248 243 F CB -0.713 38.360 39.000 0.121 0.000 0.999 243 F HN 0.245 nan 8.300 nan 0.000 0.475 244 A N -0.214 122.777 122.820 0.284 0.000 2.024 244 A HA -0.075 4.244 4.320 -0.000 0.000 0.220 244 A C 2.339 179.987 177.584 0.106 0.000 1.164 244 A CA 1.599 53.741 52.037 0.176 0.000 0.643 244 A CB -1.223 17.860 19.000 0.139 0.000 0.806 244 A HN 0.308 nan 8.150 nan 0.000 0.451 245 A N -0.325 122.557 122.820 0.105 0.000 2.066 245 A HA 0.034 4.353 4.320 -0.000 0.000 0.218 245 A C 2.008 179.612 177.584 0.034 0.000 1.157 245 A CA 1.568 53.636 52.037 0.050 0.000 0.670 245 A CB -0.421 18.603 19.000 0.041 0.000 0.804 245 A HN 0.658 nan 8.150 nan 0.000 0.453 246 M N -2.394 117.243 119.600 0.062 0.000 2.279 246 M HA 0.315 4.795 4.480 -0.000 0.000 0.306 246 M C -0.206 176.022 176.300 -0.120 0.000 0.965 246 M CA -0.246 55.029 55.300 -0.043 0.000 1.038 246 M CB 0.035 32.561 32.600 -0.123 0.000 1.636 246 M HN 0.204 nan 8.290 nan 0.000 0.574 247 H N 1.645 120.736 119.070 0.034 0.000 2.481 247 H HA 0.362 4.918 4.556 -0.000 0.000 0.339 247 H C 0.773 176.133 175.328 0.053 0.000 1.131 247 H CA 0.054 56.145 56.048 0.072 0.000 1.301 247 H CB 1.593 31.459 29.762 0.174 0.000 1.476 247 H HN 0.008 nan 8.280 nan 0.000 0.529 248 K N 1.479 121.963 120.400 0.140 0.000 2.166 248 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 248 K C -0.188 176.493 176.600 0.135 0.000 1.052 248 K CA 0.852 57.196 56.287 0.095 0.000 0.969 248 K CB 0.470 33.005 32.500 0.059 0.000 0.761 248 K HN 0.670 nan 8.250 nan 0.000 0.459 249 E N 0.423 120.749 120.200 0.211 0.000 2.263 249 E HA 0.621 4.971 4.350 -0.000 0.000 0.264 249 E C -1.070 175.689 176.600 0.266 0.000 0.923 249 E CA -0.739 55.790 56.400 0.215 0.000 0.802 249 E CB 2.330 32.153 29.700 0.205 0.000 1.228 249 E HN -0.107 nan 8.360 nan 0.000 0.417 250 L N 1.100 122.465 121.223 0.238 0.000 2.921 250 L HA 0.433 4.773 4.340 -0.000 0.000 0.261 250 L C -2.046 174.977 176.870 0.256 0.000 0.984 250 L CA -0.272 54.724 54.840 0.260 0.000 0.951 250 L CB 1.711 43.920 42.059 0.251 0.000 1.495 250 L HN 0.564 nan 8.230 nan 0.000 0.414 251 I N 2.332 123.074 120.570 0.286 0.000 2.686 251 I HA 0.655 4.825 4.170 -0.000 0.000 0.295 251 I C -1.288 175.002 176.117 0.289 0.000 1.114 251 I CA -0.924 60.534 61.300 0.263 0.000 1.038 251 I CB 2.215 40.371 38.000 0.259 0.000 1.238 251 I HN 0.167 nan 8.210 nan 0.000 0.420 252 V N 3.816 123.876 119.914 0.244 0.000 2.638 252 V HA 0.735 4.855 4.120 -0.000 0.000 0.306 252 V C -0.229 175.973 176.094 0.180 0.000 1.052 252 V CA -0.609 61.828 62.300 0.228 0.000 0.885 252 V CB 1.780 33.689 31.823 0.143 0.000 0.999 252 V HN 0.825 nan 8.190 nan 0.000 0.424 253 A N 3.369 126.307 122.820 0.196 0.000 2.311 253 A HA 0.899 5.218 4.320 -0.000 0.000 0.306 253 A C -0.030 177.631 177.584 0.127 0.000 1.189 253 A CA -0.379 51.752 52.037 0.157 0.000 0.791 253 A CB 1.207 20.313 19.000 0.177 0.000 1.172 253 A HN 1.064 nan 8.150 nan 0.000 0.481 254 S N 1.071 116.799 115.700 0.047 0.000 2.634 254 S HA 0.873 5.343 4.470 -0.000 0.000 0.296 254 S C -0.279 174.267 174.600 -0.091 0.000 1.104 254 S CA -0.641 57.535 58.200 -0.040 0.000 0.920 254 S CB 1.812 64.886 63.200 -0.210 0.000 1.111 254 S HN 1.217 nan 8.310 nan 0.000 0.493 255 S N -0.303 115.308 115.700 -0.148 0.000 2.536 255 S HA 0.621 5.091 4.470 -0.000 0.000 0.287 255 S C -1.467 173.026 174.600 -0.179 0.000 1.101 255 S CA -0.562 57.578 58.200 -0.099 0.000 0.950 255 S CB 0.834 64.020 63.200 -0.023 0.000 1.056 255 S HN 0.690 nan 8.310 nan 0.000 0.481 256 Y N 2.063 122.414 120.300 0.086 0.000 2.584 256 Y HA 0.280 4.829 4.550 -0.000 0.000 0.254 256 Y C 2.117 178.067 175.900 0.083 0.000 1.177 256 Y CA -0.158 58.013 58.100 0.119 0.000 1.216 256 Y CB 0.295 38.745 38.460 -0.016 0.000 1.172 256 Y HN 0.605 nan 8.280 nan 0.000 0.529 257 S N 0.015 115.783 115.700 0.114 0.000 2.368 257 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 257 S C 1.755 176.132 174.600 -0.371 0.000 1.029 257 S CA 1.481 59.624 58.200 -0.095 0.000 0.988 257 S CB 0.030 63.251 63.200 0.036 0.000 0.838 257 S HN 0.301 nan 8.310 nan 0.000 0.462 258 K N 2.268 122.636 120.400 -0.054 0.000 2.044 258 K HA 0.082 4.402 4.320 -0.000 0.000 0.204 258 K C 1.846 178.591 176.600 0.242 0.000 1.045 258 K CA 1.195 57.490 56.287 0.013 0.000 0.951 258 K CB -0.620 31.909 32.500 0.048 0.000 0.738 258 K HN 0.615 nan 8.250 nan 0.000 0.443 259 N N -0.346 118.609 118.700 0.425 0.000 2.272 259 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 259 N C 0.967 176.644 175.510 0.278 0.000 1.014 259 N CA 1.020 54.309 53.050 0.397 0.000 0.870 259 N CB -0.158 38.558 38.487 0.381 0.000 0.975 259 N HN 0.068 nan 8.380 nan 0.000 0.433 260 F N -0.188 119.905 119.950 0.238 0.000 2.678 260 F HA 0.377 4.904 4.527 -0.000 0.000 0.305 260 F C 1.636 177.444 175.800 0.012 0.000 1.090 260 F CA 0.183 58.274 58.000 0.152 0.000 1.272 260 F CB 0.654 39.647 39.000 -0.012 0.000 1.060 260 F HN 0.148 nan 8.300 nan 0.000 0.576 261 G N 0.868 109.659 108.800 -0.015 0.000 2.225 261 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.267 261 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.267 261 G C 0.526 175.343 174.900 -0.138 0.000 1.024 261 G CA 0.188 45.191 45.100 -0.161 0.000 0.784 261 G HN 0.210 nan 8.290 nan 0.000 0.507 262 L N 0.175 121.305 121.223 -0.155 0.000 2.848 262 L HA 0.406 4.746 4.340 -0.000 0.000 0.240 262 L C 2.030 178.906 176.870 0.011 0.000 1.232 262 L CA -0.947 53.887 54.840 -0.011 0.000 1.031 262 L CB -1.406 40.678 42.059 0.041 0.000 1.338 262 L HN 0.369 nan 8.230 nan 0.000 0.509 263 Y N 0.733 121.101 120.300 0.114 0.000 2.003 263 Y HA -0.390 4.160 4.550 -0.001 0.000 0.261 263 Y C 2.267 178.201 175.900 0.057 0.000 1.211 263 Y CA 2.157 60.305 58.100 0.080 0.000 1.098 263 Y CB -0.897 37.603 38.460 0.067 0.000 0.925 263 Y HN 0.540 nan 8.280 nan 0.000 0.498 264 N N -0.041 118.800 118.700 0.235 0.000 2.521 264 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 264 N C 0.780 176.337 175.510 0.077 0.000 1.146 264 N CA 1.000 54.126 53.050 0.128 0.000 0.893 264 N CB -0.367 38.180 38.487 0.100 0.000 0.975 264 N HN 0.449 nan 8.380 nan 0.000 0.451 265 E N 0.432 120.680 120.200 0.080 0.000 2.400 265 E HA 0.057 4.407 4.350 -0.000 0.000 0.195 265 E C -0.195 176.415 176.600 0.016 0.000 1.012 265 E CA 0.011 56.441 56.400 0.051 0.000 0.875 265 E CB 0.152 29.902 29.700 0.083 0.000 0.859 265 E HN 0.145 nan 8.360 nan 0.000 0.498 266 R N -0.223 120.293 120.500 0.027 0.000 3.125 266 R HA -0.095 4.244 4.340 -0.000 0.000 0.258 266 R C -0.940 175.346 176.300 -0.022 0.000 0.968 266 R CA 0.167 56.267 56.100 -0.001 0.000 0.656 266 R CB -3.135 27.138 30.300 -0.044 0.000 1.251 266 R HN -0.055 nan 8.270 nan 0.000 0.428 267 V N 0.095 120.026 119.914 0.028 0.000 2.326 267 V HA 0.886 5.006 4.120 -0.000 0.000 0.281 267 V C 1.119 177.350 176.094 0.229 0.000 1.015 267 V CA 0.084 62.423 62.300 0.065 0.000 0.823 267 V CB 1.941 33.791 31.823 0.047 0.000 1.009 267 V HN 0.661 nan 8.190 nan 0.000 0.436 268 G N 2.846 111.787 108.800 0.235 0.000 2.749 268 G HA2 0.934 4.893 3.960 -0.000 0.000 0.300 268 G HA3 0.934 4.893 3.960 -0.000 0.000 0.300 268 G C -1.388 173.712 174.900 0.334 0.000 1.352 268 G CA -0.148 45.097 45.100 0.243 0.000 0.789 268 G HN 1.119 nan 8.290 nan 0.000 0.509 269 A N -1.812 121.142 122.820 0.223 0.000 2.594 269 A HA 0.642 4.962 4.320 -0.000 0.000 0.295 269 A C -1.308 176.374 177.584 0.163 0.000 1.071 269 A CA -0.286 51.903 52.037 0.253 0.000 0.685 269 A CB 1.441 20.601 19.000 0.268 0.000 1.285 269 A HN 1.841 nan 8.150 nan 0.000 0.405 270 C N 1.912 121.325 119.300 0.189 0.000 2.321 270 C HA 0.752 5.212 4.460 -0.000 0.000 0.323 270 C C -0.031 175.064 174.990 0.175 0.000 1.191 270 C CA -0.017 59.105 59.018 0.173 0.000 1.455 270 C CB -0.655 27.191 27.740 0.177 0.000 2.083 270 C HN 0.794 nan 8.230 nan 0.000 0.442 271 T N 6.793 121.432 114.554 0.141 0.000 2.767 271 T HA 0.383 4.732 4.350 -0.000 0.000 0.284 271 T C -0.465 174.322 174.700 0.144 0.000 0.973 271 T CA -0.275 61.904 62.100 0.131 0.000 0.996 271 T CB 1.035 69.984 68.868 0.136 0.000 0.927 271 T HN 0.615 nan 8.240 nan 0.000 0.456 272 L N 4.880 126.160 121.223 0.096 0.000 2.287 272 L HA 0.684 5.024 4.340 -0.000 0.000 0.287 272 L C -0.472 176.431 176.870 0.055 0.000 1.022 272 L CA -0.756 54.128 54.840 0.074 0.000 0.814 272 L CB 1.365 43.450 42.059 0.044 0.000 1.217 272 L HN 0.496 nan 8.230 nan 0.000 0.420 273 V N 4.183 124.150 119.914 0.087 0.000 2.495 273 V HA 0.931 5.050 4.120 -0.000 0.000 0.298 273 V C -0.463 175.671 176.094 0.066 0.000 1.031 273 V CA -0.162 62.160 62.300 0.037 0.000 0.871 273 V CB 1.604 33.399 31.823 -0.045 0.000 0.988 273 V HN 0.896 nan 8.190 nan 0.000 0.432 274 A N 4.583 127.424 122.820 0.034 0.000 2.435 274 A HA 0.935 5.255 4.320 -0.000 0.000 0.296 274 A C 1.157 178.760 177.584 0.032 0.000 1.147 274 A CA -0.251 51.822 52.037 0.059 0.000 0.775 274 A CB 1.504 20.549 19.000 0.075 0.000 1.340 274 A HN 2.072 nan 8.150 nan 0.000 0.427 275 A N -0.091 122.755 122.820 0.043 0.000 1.948 275 A HA 0.148 4.468 4.320 -0.000 0.000 0.220 275 A C 0.651 178.238 177.584 0.005 0.000 1.177 275 A CA 2.533 54.584 52.037 0.024 0.000 0.636 275 A CB -0.802 18.216 19.000 0.030 0.000 0.815 275 A HN 1.164 nan 8.150 nan 0.000 0.449 276 D N -5.144 115.262 120.400 0.009 0.000 2.643 276 D HA 0.373 5.013 4.640 -0.000 0.000 0.283 276 D C 0.511 176.811 176.300 -0.000 0.000 1.242 276 D CA 0.102 54.101 54.000 -0.002 0.000 0.863 276 D CB 0.510 41.312 40.800 0.003 0.000 1.382 276 D HN -0.158 nan 8.370 nan 0.000 0.444 277 S N -0.936 114.759 115.700 -0.009 0.000 2.370 277 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 277 S C 1.439 176.045 174.600 0.009 0.000 1.033 277 S CA 1.763 59.957 58.200 -0.009 0.000 1.011 277 S CB -0.465 62.726 63.200 -0.016 0.000 0.852 277 S HN 0.517 nan 8.310 nan 0.000 0.457 278 E N -0.420 119.790 120.200 0.017 0.000 2.150 278 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 278 E C 1.800 178.428 176.600 0.045 0.000 0.985 278 E CA 1.478 57.895 56.400 0.029 0.000 0.814 278 E CB -0.173 29.543 29.700 0.026 0.000 0.752 278 E HN 0.591 nan 8.360 nan 0.000 0.466 279 T N 0.785 115.367 114.554 0.047 0.000 2.732 279 T HA -0.107 4.243 4.350 -0.000 0.000 0.261 279 T C 2.094 176.845 174.700 0.086 0.000 1.040 279 T CA 1.659 63.799 62.100 0.067 0.000 1.145 279 T CB -0.352 68.554 68.868 0.064 0.000 0.866 279 T HN 0.162 nan 8.240 nan 0.000 0.427 280 V N 1.761 121.712 119.914 0.062 0.000 2.392 280 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 280 V C 2.097 178.254 176.094 0.104 0.000 1.059 280 V CA 1.713 64.052 62.300 0.066 0.000 1.051 280 V CB -0.860 30.961 31.823 -0.004 0.000 0.658 280 V HN 0.268 nan 8.190 nan 0.000 0.455 281 D N 0.467 120.916 120.400 0.081 0.000 2.097 281 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 281 D C 2.312 178.700 176.300 0.147 0.000 0.989 281 D CA 1.895 55.964 54.000 0.114 0.000 0.827 281 D CB -0.268 40.575 40.800 0.072 0.000 0.966 281 D HN 0.457 nan 8.370 nan 0.000 0.456 282 R N 0.583 121.154 120.500 0.118 0.000 2.081 282 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 282 R C 2.136 178.529 176.300 0.155 0.000 1.131 282 R CA 1.520 57.690 56.100 0.117 0.000 0.960 282 R CB -0.122 30.236 30.300 0.097 0.000 0.856 282 R HN 0.111 nan 8.270 nan 0.000 0.436 283 A N 0.169 123.102 122.820 0.189 0.000 1.873 283 A HA -0.166 4.153 4.320 -0.000 0.000 0.215 283 A C 1.969 179.675 177.584 0.202 0.000 1.186 283 A CA 1.098 53.294 52.037 0.265 0.000 0.616 283 A CB -0.805 18.366 19.000 0.284 0.000 0.823 283 A HN 0.475 nan 8.150 nan 0.000 0.442 284 F N 2.031 121.976 119.950 -0.009 0.000 2.236 284 F HA -0.220 4.306 4.527 -0.000 0.000 0.302 284 F C 2.764 178.556 175.800 -0.014 0.000 1.073 284 F CA 1.547 59.510 58.000 -0.061 0.000 1.336 284 F CB -0.306 38.672 39.000 -0.036 0.000 1.040 284 F HN 0.348 nan 8.300 nan 0.000 0.507 285 S N -0.750 114.979 115.700 0.048 0.000 2.382 285 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 285 S C 1.896 176.474 174.600 -0.036 0.000 1.027 285 S CA 1.044 59.232 58.200 -0.019 0.000 0.991 285 S CB -0.509 62.719 63.200 0.046 0.000 0.823 285 S HN 0.481 nan 8.310 nan 0.000 0.469 286 Q N 0.550 120.388 119.800 0.063 0.000 2.123 286 Q HA 0.093 4.433 4.340 -0.000 0.000 0.199 286 Q C 2.177 178.253 176.000 0.126 0.000 0.966 286 Q CA 1.286 57.171 55.803 0.138 0.000 0.845 286 Q CB -0.453 28.443 28.738 0.263 0.000 0.907 286 Q HN 0.762 nan 8.270 nan 0.000 0.439 287 M N 0.690 120.292 119.600 0.003 0.000 2.159 287 M HA -0.165 4.314 4.480 -0.000 0.000 0.263 287 M C 1.704 177.846 176.300 -0.263 0.000 1.063 287 M CA 1.512 56.709 55.300 -0.172 0.000 1.110 287 M CB 0.132 32.437 32.600 -0.492 0.000 1.374 287 M HN -0.049 nan 8.290 nan 0.000 0.411 288 K N 0.102 120.270 120.400 -0.387 0.000 2.103 288 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 288 K C 2.063 178.544 176.600 -0.199 0.000 1.052 288 K CA 1.179 57.256 56.287 -0.350 0.000 0.945 288 K CB -0.253 32.027 32.500 -0.367 0.000 0.722 288 K HN 0.454 nan 8.250 nan 0.000 0.443 289 A N 1.853 124.597 122.820 -0.127 0.000 1.902 289 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 289 A C 2.413 179.948 177.584 -0.083 0.000 1.181 289 A CA 1.925 53.913 52.037 -0.083 0.000 0.623 289 A CB -0.667 18.312 19.000 -0.036 0.000 0.818 289 A HN 0.323 nan 8.150 nan 0.000 0.443 290 A N -0.003 122.786 122.820 -0.052 0.000 1.883 290 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 290 A C 2.134 179.648 177.584 -0.117 0.000 1.186 290 A CA 1.693 53.709 52.037 -0.035 0.000 0.624 290 A CB -0.664 18.367 19.000 0.052 0.000 0.822 290 A HN 0.516 nan 8.150 nan 0.000 0.444 291 I N -1.181 119.272 120.570 -0.195 0.000 2.226 291 I HA -0.246 3.923 4.170 -0.000 0.000 0.245 291 I C 2.654 178.497 176.117 -0.457 0.000 1.100 291 I CA 1.621 62.681 61.300 -0.400 0.000 1.374 291 I CB -0.257 37.524 38.000 -0.366 0.000 1.057 291 I HN 0.274 nan 8.210 nan 0.000 0.413 292 R N 1.846 122.176 120.500 -0.283 0.000 2.091 292 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 292 R C 1.916 178.107 176.300 -0.181 0.000 1.136 292 R CA 2.002 57.969 56.100 -0.223 0.000 0.959 292 R CB -0.687 29.519 30.300 -0.156 0.000 0.856 292 R HN 0.360 nan 8.270 nan 0.000 0.437 293 A N -0.306 122.428 122.820 -0.144 0.000 2.251 293 A HA 0.079 4.398 4.320 -0.000 0.000 0.209 293 A C 1.508 179.043 177.584 -0.082 0.000 1.187 293 A CA 0.594 52.576 52.037 -0.091 0.000 0.823 293 A CB -0.442 18.525 19.000 -0.056 0.000 0.846 293 A HN 0.429 nan 8.150 nan 0.000 0.486 294 N N -0.409 118.205 118.700 -0.144 0.000 2.518 294 N HA 0.025 4.765 4.740 -0.000 0.000 0.230 294 N C 1.148 176.635 175.510 -0.039 0.000 1.022 294 N CA 1.547 54.550 53.050 -0.078 0.000 1.172 294 N CB -0.208 38.240 38.487 -0.064 0.000 1.498 294 N HN 0.418 nan 8.380 nan 0.000 0.602 295 Y N -1.709 118.591 120.300 -0.000 0.000 2.481 295 Y HA 0.583 5.132 4.550 -0.001 0.000 0.247 295 Y C 1.390 177.287 175.900 -0.005 0.000 1.151 295 Y CA 0.349 58.451 58.100 0.003 0.000 1.238 295 Y CB 0.035 38.502 38.460 0.011 0.000 1.179 295 Y HN 0.163 nan 8.280 nan 0.000 0.524 296 S N 0.663 116.174 115.700 -0.314 0.000 1.341 296 S HA -0.271 4.199 4.470 -0.000 0.000 0.249 296 S C -0.301 174.201 174.600 -0.162 0.000 0.629 296 S CA 1.533 59.615 58.200 -0.196 0.000 1.126 296 S CB -1.816 61.325 63.200 -0.098 0.000 1.168 296 S HN 0.987 nan 8.310 nan 0.000 0.497 297 N N 1.267 119.991 118.700 0.040 0.000 2.598 297 N HA 0.690 5.429 4.740 -0.000 0.000 0.263 297 N C -3.403 172.295 175.510 0.314 0.000 1.254 297 N CA -1.294 51.834 53.050 0.131 0.000 0.863 297 N CB 1.405 39.931 38.487 0.065 0.000 1.586 297 N HN 0.291 nan 8.380 nan 0.000 0.491 298 P HA 0.399 nan 4.420 nan 0.000 0.276 298 P C -2.663 174.664 177.300 0.044 0.000 1.261 298 P CA -1.313 61.869 63.100 0.137 0.000 0.800 298 P CB -0.330 31.403 31.700 0.055 0.000 1.066 299 P HA 0.173 nan 4.420 nan 0.000 0.282 299 P C 0.325 177.587 177.300 -0.063 0.000 1.274 299 P CA -0.088 62.994 63.100 -0.031 0.000 0.770 299 P CB 0.597 32.266 31.700 -0.052 0.000 0.867 300 A N 3.471 126.271 122.820 -0.034 0.000 1.873 300 A HA -0.231 4.089 4.320 -0.000 0.000 0.215 300 A C 2.095 179.634 177.584 -0.074 0.000 1.186 300 A CA 1.843 53.842 52.037 -0.064 0.000 0.616 300 A CB -1.809 17.173 19.000 -0.030 0.000 0.823 300 A HN 0.667 nan 8.150 nan 0.000 0.442 301 H N -0.567 118.448 119.070 -0.091 0.000 2.266 301 H HA -0.221 4.335 4.556 -0.000 0.000 0.286 301 H C 2.149 177.411 175.328 -0.109 0.000 1.102 301 H CA 2.873 58.872 56.048 -0.081 0.000 1.182 301 H CB -0.506 29.225 29.762 -0.052 0.000 1.345 301 H HN 0.393 nan 8.280 nan 0.000 0.485 302 G N -0.944 107.836 108.800 -0.033 0.000 2.403 302 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 302 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 302 G C 1.821 176.549 174.900 -0.286 0.000 1.154 302 G CA 0.686 45.712 45.100 -0.124 0.000 0.784 302 G HN 0.645 nan 8.290 nan 0.000 0.538 303 A N 0.418 123.017 122.820 -0.368 0.000 1.969 303 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 303 A C 2.593 179.952 177.584 -0.375 0.000 1.169 303 A CA 2.053 53.724 52.037 -0.611 0.000 0.635 303 A CB -0.599 17.812 19.000 -0.981 0.000 0.810 303 A HN 0.320 nan 8.150 nan 0.000 0.445 304 S N -0.610 114.911 115.700 -0.299 0.000 2.356 304 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 304 S C 1.914 176.366 174.600 -0.246 0.000 1.032 304 S CA 1.494 59.560 58.200 -0.222 0.000 1.005 304 S CB -0.379 62.699 63.200 -0.204 0.000 0.867 304 S HN 0.316 nan 8.310 nan 0.000 0.449 305 V N 1.343 121.065 119.914 -0.320 0.000 2.469 305 V HA -0.133 3.986 4.120 -0.000 0.000 0.251 305 V C 2.271 178.167 176.094 -0.331 0.000 1.064 305 V CA 1.554 63.678 62.300 -0.292 0.000 1.066 305 V CB -0.570 31.083 31.823 -0.283 0.000 0.667 305 V HN 0.354 nan 8.190 nan 0.000 0.461 306 V N 0.036 119.680 119.914 -0.449 0.000 2.307 306 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 306 V C 2.667 178.465 176.094 -0.495 0.000 1.045 306 V CA 1.923 63.783 62.300 -0.732 0.000 1.024 306 V CB -1.008 30.153 31.823 -1.104 0.000 0.651 306 V HN 0.561 nan 8.190 nan 0.000 0.449 307 A N -0.209 122.457 122.820 -0.257 0.000 1.877 307 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 307 A C 2.401 179.866 177.584 -0.198 0.000 1.186 307 A CA 2.581 54.511 52.037 -0.177 0.000 0.620 307 A CB -1.072 17.893 19.000 -0.058 0.000 0.822 307 A HN 0.500 nan 8.150 nan 0.000 0.443 308 T N 0.470 114.898 114.554 -0.209 0.000 2.652 308 T HA -0.156 4.193 4.350 -0.000 0.000 0.267 308 T C 1.810 176.370 174.700 -0.234 0.000 1.039 308 T CA 1.716 63.668 62.100 -0.246 0.000 1.153 308 T CB -0.453 68.244 68.868 -0.284 0.000 0.863 308 T HN 0.430 nan 8.240 nan 0.000 0.428 309 I N 0.507 120.946 120.570 -0.218 0.000 2.252 309 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 309 I C 2.144 178.169 176.117 -0.153 0.000 1.102 309 I CA 1.198 62.401 61.300 -0.162 0.000 1.385 309 I CB -0.325 37.607 38.000 -0.114 0.000 1.064 309 I HN 0.184 nan 8.210 nan 0.000 0.414 310 L N 0.290 121.384 121.223 -0.215 0.000 2.465 310 L HA -0.103 4.237 4.340 -0.000 0.000 0.224 310 L C 2.453 179.254 176.870 -0.116 0.000 1.145 310 L CA 1.009 55.747 54.840 -0.171 0.000 0.834 310 L CB -0.355 41.562 42.059 -0.236 0.000 0.944 310 L HN 0.353 nan 8.230 nan 0.000 0.451 311 S N -2.231 113.391 115.700 -0.130 0.000 2.492 311 S HA -0.041 4.429 4.470 -0.000 0.000 0.218 311 S C 0.866 175.412 174.600 -0.089 0.000 1.016 311 S CA -0.395 57.744 58.200 -0.102 0.000 0.916 311 S CB -0.198 62.941 63.200 -0.102 0.000 0.791 311 S HN 0.439 nan 8.310 nan 0.000 0.513 312 N N 1.082 119.720 118.700 -0.104 0.000 2.426 312 N HA 0.131 4.870 4.740 -0.000 0.000 0.257 312 N C -0.749 174.732 175.510 -0.048 0.000 1.002 312 N CA -0.076 52.921 53.050 -0.089 0.000 0.942 312 N CB 1.230 39.638 38.487 -0.132 0.000 1.112 312 N HN -0.049 nan 8.380 nan 0.000 0.499 313 D N 3.294 123.675 120.400 -0.032 0.000 2.172 313 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 313 D C 1.768 178.066 176.300 -0.003 0.000 0.999 313 D CA 1.715 55.708 54.000 -0.012 0.000 0.856 313 D CB 0.093 40.886 40.800 -0.012 0.000 0.934 313 D HN 0.696 nan 8.370 nan 0.000 0.453 314 A N 0.108 122.920 122.820 -0.013 0.000 1.854 314 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 314 A C 2.246 179.832 177.584 0.004 0.000 1.192 314 A CA 0.774 52.807 52.037 -0.007 0.000 0.611 314 A CB -0.737 18.256 19.000 -0.012 0.000 0.832 314 A HN 0.186 nan 8.150 nan 0.000 0.442 315 L N -1.011 120.208 121.223 -0.007 0.000 2.017 315 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 315 L C 2.830 179.742 176.870 0.069 0.000 1.073 315 L CA 1.765 56.610 54.840 0.008 0.000 0.745 315 L CB -0.478 41.556 42.059 -0.042 0.000 0.894 315 L HN 0.461 nan 8.230 nan 0.000 0.432 316 R N 0.156 120.696 120.500 0.067 0.000 2.159 316 R HA -0.187 4.152 4.340 -0.000 0.000 0.237 316 R C 2.130 178.536 176.300 0.177 0.000 1.131 316 R CA 1.359 57.558 56.100 0.166 0.000 0.982 316 R CB -0.096 30.273 30.300 0.116 0.000 0.868 316 R HN 0.377 nan 8.270 nan 0.000 0.453 317 A N 0.539 123.405 122.820 0.076 0.000 1.930 317 A HA -0.013 4.306 4.320 -0.000 0.000 0.215 317 A C 2.035 179.619 177.584 0.000 0.000 1.176 317 A CA 0.699 52.750 52.037 0.023 0.000 0.632 317 A CB -0.189 18.812 19.000 0.001 0.000 0.819 317 A HN 0.291 nan 8.150 nan 0.000 0.445 318 I N -2.171 118.415 120.570 0.027 0.000 2.252 318 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 318 I C 2.396 178.514 176.117 0.001 0.000 1.102 318 I CA 1.467 62.772 61.300 0.007 0.000 1.385 318 I CB -0.349 37.664 38.000 0.023 0.000 1.064 318 I HN 0.713 nan 8.210 nan 0.000 0.414 319 W N 2.558 123.779 121.300 -0.132 0.000 2.332 319 W HA -0.246 4.414 4.660 -0.000 0.000 0.321 319 W C 2.373 178.744 176.519 -0.247 0.000 1.219 319 W CA 1.800 59.017 57.345 -0.213 0.000 1.277 319 W CB -0.390 28.917 29.460 -0.255 0.000 1.161 319 W HN 0.073 nan 8.180 nan 0.000 0.476 320 E N -0.340 119.573 120.200 -0.479 0.000 2.209 320 E HA -0.325 4.025 4.350 -0.000 0.000 0.196 320 E C 1.950 178.224 176.600 -0.544 0.000 0.993 320 E CA 1.516 57.463 56.400 -0.755 0.000 0.819 320 E CB -0.361 29.102 29.700 -0.395 0.000 0.745 320 E HN 0.321 nan 8.360 nan 0.000 0.477 321 Q N 1.232 120.828 119.800 -0.340 0.000 2.123 321 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 321 Q C 1.601 177.430 176.000 -0.284 0.000 0.966 321 Q CA 1.360 57.011 55.803 -0.254 0.000 0.845 321 Q CB 0.123 28.771 28.738 -0.150 0.000 0.907 321 Q HN 0.273 nan 8.270 nan 0.000 0.439 322 E N -0.431 119.584 120.200 -0.308 0.000 2.110 322 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 322 E C 1.734 178.082 176.600 -0.421 0.000 0.988 322 E CA 0.959 57.187 56.400 -0.287 0.000 0.804 322 E CB -0.126 29.451 29.700 -0.206 0.000 0.745 322 E HN 0.246 nan 8.360 nan 0.000 0.458 323 L N 0.833 121.664 121.223 -0.653 0.000 2.056 323 L HA -0.128 4.211 4.340 -0.000 0.000 0.207 323 L C 2.193 178.704 176.870 -0.599 0.000 1.078 323 L CA 1.884 56.261 54.840 -0.771 0.000 0.749 323 L CB -0.702 40.698 42.059 -1.098 0.000 0.901 323 L HN 0.004 nan 8.230 nan 0.000 0.433 324 T N -0.559 113.712 114.554 -0.471 0.000 2.867 324 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 324 T C 1.418 175.982 174.700 -0.227 0.000 1.057 324 T CA 1.388 63.295 62.100 -0.321 0.000 1.136 324 T CB -0.243 68.469 68.868 -0.260 0.000 0.874 324 T HN 0.370 nan 8.240 nan 0.000 0.466 325 D N 0.914 121.184 120.400 -0.218 0.000 2.117 325 D HA 0.023 4.663 4.640 -0.000 0.000 0.198 325 D C 2.112 178.357 176.300 -0.092 0.000 0.982 325 D CA 0.911 54.834 54.000 -0.128 0.000 0.828 325 D CB -0.280 40.456 40.800 -0.107 0.000 0.967 325 D HN 0.362 nan 8.370 nan 0.000 0.464 326 M N 0.178 119.659 119.600 -0.198 0.000 2.065 326 M HA -0.164 4.316 4.480 -0.000 0.000 0.259 326 M C 2.374 178.717 176.300 0.071 0.000 1.071 326 M CA 1.331 56.533 55.300 -0.163 0.000 1.109 326 M CB -0.238 32.068 32.600 -0.491 0.000 1.313 326 M HN -0.072 nan 8.290 nan 0.000 0.408 327 R N 0.544 120.985 120.500 -0.098 0.000 2.103 327 R HA -0.223 4.117 4.340 -0.000 0.000 0.242 327 R C 1.938 178.267 176.300 0.047 0.000 1.142 327 R CA 2.014 58.116 56.100 0.004 0.000 0.960 327 R CB -0.264 29.941 30.300 -0.159 0.000 0.858 327 R HN 0.503 nan 8.270 nan 0.000 0.439 328 Q N -0.385 119.413 119.800 -0.003 0.000 2.119 328 Q HA -0.103 4.236 4.340 -0.000 0.000 0.201 328 Q C 2.264 178.295 176.000 0.052 0.000 0.972 328 Q CA 1.120 56.932 55.803 0.016 0.000 0.847 328 Q CB -0.091 28.640 28.738 -0.012 0.000 0.903 328 Q HN 0.269 nan 8.270 nan 0.000 0.433 329 R N 0.675 121.225 120.500 0.083 0.000 2.091 329 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 329 R C 2.024 178.383 176.300 0.099 0.000 1.136 329 R CA 1.314 57.477 56.100 0.105 0.000 0.959 329 R CB -0.269 30.140 30.300 0.181 0.000 0.856 329 R HN 0.278 nan 8.270 nan 0.000 0.437 330 I N 0.972 121.627 120.570 0.143 0.000 2.142 330 I HA -0.322 3.848 4.170 -0.000 0.000 0.240 330 I C 2.444 178.605 176.117 0.073 0.000 1.078 330 I CA 1.544 62.908 61.300 0.106 0.000 1.343 330 I CB -0.369 37.723 38.000 0.152 0.000 1.046 330 I HN 0.229 nan 8.210 nan 0.000 0.405 331 Q N 0.170 120.018 119.800 0.079 0.000 2.248 331 Q HA -0.247 4.093 4.340 -0.000 0.000 0.208 331 Q C 2.271 178.302 176.000 0.052 0.000 0.984 331 Q CA 1.311 57.153 55.803 0.064 0.000 0.875 331 Q CB -0.197 28.575 28.738 0.057 0.000 0.910 331 Q HN 0.346 nan 8.270 nan 0.000 0.433 332 R N -0.095 120.433 120.500 0.046 0.000 2.075 332 R HA 0.040 4.379 4.340 -0.000 0.000 0.226 332 R C 2.123 178.445 176.300 0.038 0.000 1.114 332 R CA 1.121 57.243 56.100 0.037 0.000 0.972 332 R CB -0.061 30.258 30.300 0.031 0.000 0.869 332 R HN 0.234 nan 8.270 nan 0.000 0.437 333 M N 0.589 120.208 119.600 0.032 0.000 2.175 333 M HA -0.082 4.397 4.480 -0.000 0.000 0.264 333 M C 1.846 178.184 176.300 0.064 0.000 1.063 333 M CA 1.544 56.858 55.300 0.022 0.000 1.119 333 M CB -0.672 31.909 32.600 -0.031 0.000 1.377 333 M HN 0.110 nan 8.290 nan 0.000 0.415 334 R N 0.273 120.815 120.500 0.071 0.000 2.080 334 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 334 R C 2.218 178.594 176.300 0.126 0.000 1.137 334 R CA 1.619 57.793 56.100 0.123 0.000 0.943 334 R CB -0.835 29.526 30.300 0.103 0.000 0.846 334 R HN 0.369 nan 8.270 nan 0.000 0.431 335 Q N 1.023 120.868 119.800 0.074 0.000 2.050 335 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 335 Q C 2.099 178.126 176.000 0.044 0.000 0.980 335 Q CA 1.288 57.119 55.803 0.046 0.000 0.840 335 Q CB -0.155 28.603 28.738 0.033 0.000 0.898 335 Q HN 0.229 nan 8.270 nan 0.000 0.424 336 L N -0.255 121.003 121.223 0.059 0.000 2.083 336 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 336 L C 1.895 178.815 176.870 0.085 0.000 1.083 336 L CA 1.603 56.475 54.840 0.054 0.000 0.752 336 L CB -0.692 41.396 42.059 0.047 0.000 0.899 336 L HN 0.357 nan 8.230 nan 0.000 0.433 337 F N -0.285 119.628 119.950 -0.061 0.000 2.084 337 F HA -0.164 4.363 4.527 -0.000 0.000 0.296 337 F C 2.491 178.224 175.800 -0.111 0.000 1.111 337 F CA 2.043 59.986 58.000 -0.094 0.000 1.224 337 F CB -0.967 37.973 39.000 -0.100 0.000 0.991 337 F HN 0.010 nan 8.300 nan 0.000 0.471 338 V N 0.464 120.263 119.914 -0.192 0.000 2.490 338 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 338 V C 1.989 177.972 176.094 -0.185 0.000 1.061 338 V CA 2.579 64.702 62.300 -0.295 0.000 1.064 338 V CB -0.944 30.781 31.823 -0.162 0.000 0.670 338 V HN 0.405 nan 8.190 nan 0.000 0.461 339 N N 0.949 119.590 118.700 -0.099 0.000 2.058 339 N HA -0.114 4.626 4.740 -0.000 0.000 0.191 339 N C 1.884 177.347 175.510 -0.080 0.000 1.037 339 N CA 2.372 55.383 53.050 -0.065 0.000 0.848 339 N CB -0.794 37.676 38.487 -0.028 0.000 1.021 339 N HN 0.611 nan 8.380 nan 0.000 0.422 340 T N 0.949 115.452 114.554 -0.085 0.000 2.867 340 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 340 T C 1.693 176.307 174.700 -0.143 0.000 1.057 340 T CA 0.367 62.418 62.100 -0.082 0.000 1.136 340 T CB -0.173 68.671 68.868 -0.040 0.000 0.874 340 T HN 0.014 nan 8.240 nan 0.000 0.466 341 L N 1.503 122.567 121.223 -0.265 0.000 1.989 341 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 341 L C 2.554 179.331 176.870 -0.154 0.000 1.071 341 L CA 1.703 56.337 54.840 -0.344 0.000 0.749 341 L CB -1.218 40.448 42.059 -0.655 0.000 0.890 341 L HN 0.332 nan 8.230 nan 0.000 0.431 342 Q N -0.546 119.192 119.800 -0.103 0.000 1.975 342 Q HA -0.215 4.125 4.340 -0.000 0.000 0.205 342 Q C 1.723 177.700 176.000 -0.037 0.000 0.990 342 Q CA 1.762 57.540 55.803 -0.041 0.000 0.845 342 Q CB -0.361 28.358 28.738 -0.031 0.000 0.913 342 Q HN 0.554 nan 8.270 nan 0.000 0.420 343 E N 0.652 120.826 120.200 -0.043 0.000 2.501 343 E HA -0.168 4.182 4.350 -0.000 0.000 0.203 343 E C 1.082 177.662 176.600 -0.033 0.000 1.072 343 E CA 0.746 57.127 56.400 -0.031 0.000 0.885 343 E CB -0.034 29.649 29.700 -0.028 0.000 0.813 343 E HN 0.061 nan 8.360 nan 0.000 0.556 344 K N -0.658 119.714 120.400 -0.047 0.000 2.373 344 K HA 0.128 4.447 4.320 -0.000 0.000 0.202 344 K C 0.890 177.470 176.600 -0.033 0.000 1.025 344 K CA 0.527 56.786 56.287 -0.047 0.000 1.115 344 K CB 0.751 33.209 32.500 -0.069 0.000 0.858 344 K HN 0.195 nan 8.250 nan 0.000 0.525 345 G N -0.430 108.358 108.800 -0.020 0.000 2.259 345 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 345 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 345 G C 0.256 175.164 174.900 0.013 0.000 1.001 345 G CA -0.206 44.892 45.100 -0.004 0.000 0.627 345 G HN 0.486 nan 8.290 nan 0.000 0.501 346 A N 0.404 123.234 122.820 0.017 0.000 2.598 346 A HA 0.390 4.709 4.320 -0.000 0.000 0.239 346 A C 0.691 178.328 177.584 0.088 0.000 1.032 346 A CA 1.234 53.321 52.037 0.082 0.000 0.760 346 A CB -0.016 19.062 19.000 0.131 0.000 0.946 346 A HN 0.483 nan 8.150 nan 0.000 0.512 347 N N 1.721 120.470 118.700 0.081 0.000 2.644 347 N HA 0.201 4.941 4.740 -0.000 0.000 0.313 347 N C -0.598 174.918 175.510 0.011 0.000 1.863 347 N CA 0.001 53.074 53.050 0.039 0.000 0.918 347 N CB 0.386 38.887 38.487 0.023 0.000 1.320 347 N HN 0.762 nan 8.380 nan 0.000 0.490 348 R N 0.578 121.072 120.500 -0.010 0.000 2.651 348 R HA 0.166 4.506 4.340 -0.000 0.000 0.278 348 R C -1.474 174.667 176.300 -0.265 0.000 1.010 348 R CA -0.590 55.412 56.100 -0.163 0.000 0.896 348 R CB 1.899 32.038 30.300 -0.268 0.000 1.211 348 R HN 0.109 nan 8.270 nan 0.000 0.456 349 D N 3.790 124.025 120.400 -0.276 0.000 2.295 349 D HA 0.049 4.688 4.640 -0.000 0.000 0.248 349 D C -0.389 175.653 176.300 -0.429 0.000 1.154 349 D CA -0.020 53.853 54.000 -0.211 0.000 0.857 349 D CB 0.595 41.350 40.800 -0.075 0.000 1.117 349 D HN 0.450 nan 8.370 nan 0.000 0.468 350 F N 1.874 121.707 119.950 -0.195 0.000 2.684 350 F HA 0.036 4.562 4.527 -0.000 0.000 0.298 350 F C 2.369 177.821 175.800 -0.580 0.000 1.120 350 F CA -0.362 57.355 58.000 -0.472 0.000 1.332 350 F CB 0.299 39.000 39.000 -0.498 0.000 0.986 350 F HN 0.389 nan 8.300 nan 0.000 0.524 351 S N 0.288 115.859 115.700 -0.214 0.000 2.423 351 S HA -0.229 4.241 4.470 -0.000 0.000 0.231 351 S C 2.075 176.600 174.600 -0.125 0.000 1.014 351 S CA 0.946 59.066 58.200 -0.135 0.000 0.965 351 S CB -1.091 62.090 63.200 -0.032 0.000 0.785 351 S HN 0.465 nan 8.310 nan 0.000 0.495 352 F N 1.224 121.212 119.950 0.063 0.000 2.307 352 F HA 0.107 4.634 4.527 -0.001 0.000 0.301 352 F C 1.656 177.527 175.800 0.118 0.000 1.076 352 F CA 0.138 58.194 58.000 0.095 0.000 1.383 352 F CB -0.978 38.095 39.000 0.121 0.000 1.055 352 F HN 0.157 nan 8.300 nan 0.000 0.526 353 I N 0.868 121.115 120.570 -0.539 0.000 2.163 353 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 353 I C 2.527 178.680 176.117 0.061 0.000 1.085 353 I CA 1.138 62.342 61.300 -0.160 0.000 1.347 353 I CB -0.501 37.359 38.000 -0.233 0.000 1.044 353 I HN 0.134 nan 8.210 nan 0.000 0.408 354 I N 0.791 121.369 120.570 0.015 0.000 2.236 354 I HA -0.309 3.861 4.170 -0.000 0.000 0.249 354 I C 1.929 178.104 176.117 0.097 0.000 1.102 354 I CA 1.761 63.095 61.300 0.057 0.000 1.365 354 I CB -1.242 36.778 38.000 0.033 0.000 1.051 354 I HN 0.339 nan 8.210 nan 0.000 0.420 355 K N 0.691 121.168 120.400 0.129 0.000 2.525 355 K HA 0.028 4.348 4.320 -0.000 0.000 0.192 355 K C 0.551 177.250 176.600 0.164 0.000 1.029 355 K CA 0.155 56.527 56.287 0.141 0.000 1.029 355 K CB -0.220 32.368 32.500 0.147 0.000 0.814 355 K HN 0.466 nan 8.250 nan 0.000 0.503 356 Q N 0.768 120.680 119.800 0.186 0.000 2.221 356 Q HA 0.287 4.627 4.340 -0.000 0.000 0.242 356 Q C -0.787 175.313 176.000 0.167 0.000 0.940 356 Q CA -0.573 55.348 55.803 0.198 0.000 0.896 356 Q CB 1.115 30.003 28.738 0.249 0.000 1.226 356 Q HN 0.167 nan 8.270 nan 0.000 0.463 357 N N -0.517 118.288 118.700 0.175 0.000 2.269 357 N HA 0.683 5.423 4.740 -0.000 0.000 0.304 357 N C -0.524 175.085 175.510 0.165 0.000 1.072 357 N CA -0.110 53.041 53.050 0.168 0.000 0.802 357 N CB 2.024 40.621 38.487 0.183 0.000 1.348 357 N HN 0.789 nan 8.380 nan 0.000 0.484 358 G N 0.480 109.371 108.800 0.152 0.000 2.587 358 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.212 358 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.212 358 G C 0.478 175.372 174.900 -0.011 0.000 1.327 358 G CA -0.200 44.957 45.100 0.095 0.000 0.898 358 G HN 0.458 nan 8.290 nan 0.000 0.551 359 M N -0.783 118.699 119.600 -0.196 0.000 2.334 359 M HA 0.292 4.772 4.480 -0.000 0.000 0.266 359 M C 0.688 176.779 176.300 -0.349 0.000 1.082 359 M CA 1.095 56.180 55.300 -0.358 0.000 1.141 359 M CB 0.014 32.234 32.600 -0.634 0.000 1.380 359 M HN 0.188 nan 8.290 nan 0.000 0.440 360 F N 1.055 120.988 119.950 -0.029 0.000 2.396 360 F HA 0.392 4.919 4.527 -0.001 0.000 0.343 360 F C 0.462 176.292 175.800 0.049 0.000 1.104 360 F CA -0.952 57.044 58.000 -0.006 0.000 1.161 360 F CB 1.190 40.172 39.000 -0.030 0.000 1.146 360 F HN -0.178 nan 8.300 nan 0.000 0.522 361 S N 3.428 119.338 115.700 0.349 0.000 2.594 361 S HA 0.486 4.956 4.470 -0.000 0.000 0.296 361 S C -1.288 173.552 174.600 0.401 0.000 1.124 361 S CA -0.457 57.935 58.200 0.320 0.000 1.011 361 S CB 0.334 63.695 63.200 0.268 0.000 1.016 361 S HN 0.307 nan 8.310 nan 0.000 0.485 362 F N 4.266 124.313 119.950 0.162 0.000 2.423 362 F HA 0.255 4.782 4.527 -0.001 0.000 0.356 362 F C 1.843 177.774 175.800 0.220 0.000 1.170 362 F CA -1.092 56.943 58.000 0.058 0.000 1.163 362 F CB 0.289 39.158 39.000 -0.218 0.000 1.318 362 F HN 0.716 nan 8.300 nan 0.000 0.569 363 S N 1.634 117.562 115.700 0.380 0.000 2.400 363 S HA 0.009 4.478 4.470 -0.000 0.000 0.232 363 S C 1.899 176.775 174.600 0.458 0.000 1.025 363 S CA 0.973 59.457 58.200 0.473 0.000 0.993 363 S CB -0.350 63.051 63.200 0.336 0.000 0.808 363 S HN 1.023 nan 8.310 nan 0.000 0.478 364 G N 0.130 109.027 108.800 0.163 0.000 2.253 364 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.209 364 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.209 364 G C -0.078 174.863 174.900 0.069 0.000 0.997 364 G CA -0.178 44.990 45.100 0.114 0.000 0.640 364 G HN 0.349 nan 8.290 nan 0.000 0.496 365 L N 1.757 123.022 121.223 0.071 0.000 2.536 365 L HA 0.416 4.755 4.340 -0.000 0.000 0.294 365 L C 1.232 178.086 176.870 -0.027 0.000 1.257 365 L CA 1.047 55.912 54.840 0.041 0.000 0.850 365 L CB 0.236 42.321 42.059 0.043 0.000 1.105 365 L HN 0.212 nan 8.230 nan 0.000 0.517 366 T N 2.052 116.606 114.554 0.000 0.000 2.929 366 T HA 0.158 4.508 4.350 -0.000 0.000 0.284 366 T C 1.127 175.819 174.700 -0.012 0.000 1.014 366 T CA -0.676 61.417 62.100 -0.012 0.000 1.051 366 T CB 1.280 70.154 68.868 0.010 0.000 1.028 366 T HN 0.656 nan 8.240 nan 0.000 0.485 367 K N 1.597 121.987 120.400 -0.017 0.000 2.144 367 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 367 K C 1.299 177.897 176.600 -0.003 0.000 1.047 367 K CA 2.152 58.432 56.287 -0.011 0.000 0.927 367 K CB 0.080 32.576 32.500 -0.007 0.000 0.716 367 K HN 0.524 nan 8.250 nan 0.000 0.454 368 E N 0.348 120.549 120.200 0.003 0.000 2.076 368 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 368 E C 2.112 178.722 176.600 0.016 0.000 0.979 368 E CA 0.980 57.385 56.400 0.008 0.000 0.807 368 E CB -0.049 29.657 29.700 0.010 0.000 0.761 368 E HN 0.343 nan 8.360 nan 0.000 0.454 369 Q N 0.164 119.978 119.800 0.024 0.000 2.112 369 Q HA -0.169 4.170 4.340 -0.000 0.000 0.206 369 Q C 2.169 178.191 176.000 0.037 0.000 0.987 369 Q CA 1.590 57.418 55.803 0.041 0.000 0.858 369 Q CB -0.125 28.641 28.738 0.047 0.000 0.905 369 Q HN 0.146 nan 8.270 nan 0.000 0.420 370 V N 0.404 120.328 119.914 0.017 0.000 2.255 370 V HA -0.279 3.840 4.120 -0.000 0.000 0.247 370 V C 2.132 178.216 176.094 -0.016 0.000 1.051 370 V CA 1.528 63.830 62.300 0.003 0.000 1.018 370 V CB -0.517 31.303 31.823 -0.005 0.000 0.641 370 V HN 0.310 nan 8.190 nan 0.000 0.445 371 L N -0.406 120.807 121.223 -0.017 0.000 1.989 371 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 371 L C 2.649 179.503 176.870 -0.026 0.000 1.071 371 L CA 1.961 56.782 54.840 -0.033 0.000 0.749 371 L CB -0.774 41.273 42.059 -0.021 0.000 0.890 371 L HN 0.181 nan 8.230 nan 0.000 0.431 372 R N -0.642 119.864 120.500 0.010 0.000 2.094 372 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 372 R C 2.316 178.672 176.300 0.092 0.000 1.137 372 R CA 1.907 58.031 56.100 0.039 0.000 0.943 372 R CB -0.825 29.520 30.300 0.074 0.000 0.850 372 R HN 0.359 nan 8.270 nan 0.000 0.433 373 L N 0.312 121.610 121.223 0.126 0.000 2.021 373 L HA -0.279 4.061 4.340 -0.000 0.000 0.215 373 L C 2.737 179.682 176.870 0.125 0.000 1.074 373 L CA 2.210 57.166 54.840 0.193 0.000 0.760 373 L CB -0.426 41.683 42.059 0.083 0.000 0.889 373 L HN 0.303 nan 8.230 nan 0.000 0.433 374 R N -0.550 119.915 120.500 -0.059 0.000 2.161 374 R HA -0.060 4.280 4.340 -0.000 0.000 0.213 374 R C 1.841 178.040 176.300 -0.169 0.000 1.055 374 R CA 0.786 56.732 56.100 -0.256 0.000 0.996 374 R CB -0.210 29.692 30.300 -0.663 0.000 0.901 374 R HN 0.331 nan 8.270 nan 0.000 0.456 375 E N 1.129 121.269 120.200 -0.099 0.000 2.046 375 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 375 E C 1.696 178.237 176.600 -0.098 0.000 0.982 375 E CA 1.091 57.442 56.400 -0.082 0.000 0.800 375 E CB 0.017 29.675 29.700 -0.069 0.000 0.756 375 E HN 0.511 nan 8.360 nan 0.000 0.449 376 E N -0.056 120.045 120.200 -0.164 0.000 2.060 376 E HA -0.023 4.327 4.350 -0.000 0.000 0.189 376 E C 1.987 178.334 176.600 -0.421 0.000 0.974 376 E CA 0.598 56.770 56.400 -0.381 0.000 0.808 376 E CB -0.048 29.178 29.700 -0.790 0.000 0.768 376 E HN 0.206 nan 8.360 nan 0.000 0.453 377 F N -0.286 119.670 119.950 0.009 0.000 2.473 377 F HA 0.211 4.738 4.527 -0.001 0.000 0.294 377 F C 1.854 177.697 175.800 0.072 0.000 1.103 377 F CA 0.712 58.731 58.000 0.032 0.000 1.442 377 F CB 0.073 39.092 39.000 0.032 0.000 1.097 377 F HN 0.147 nan 8.300 nan 0.000 0.547 378 G N 0.212 109.154 108.800 0.237 0.000 2.175 378 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 378 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 378 G C -0.023 175.172 174.900 0.491 0.000 0.982 378 G CA 0.035 45.349 45.100 0.356 0.000 0.641 378 G HN 0.164 nan 8.290 nan 0.000 0.527 379 V N 1.615 121.717 119.914 0.313 0.000 2.385 379 V HA 0.481 4.601 4.120 -0.000 0.000 0.269 379 V C -0.176 176.038 176.094 0.200 0.000 1.043 379 V CA -0.585 61.883 62.300 0.280 0.000 0.906 379 V CB 0.578 32.487 31.823 0.143 0.000 0.995 379 V HN 0.231 nan 8.190 nan 0.000 0.467 380 Y N 4.073 124.418 120.300 0.076 0.000 2.504 380 Y HA 0.656 5.206 4.550 -0.000 0.000 0.339 380 Y C 0.627 176.526 175.900 -0.002 0.000 0.974 380 Y CA -0.474 57.654 58.100 0.046 0.000 1.232 380 Y CB 0.926 39.411 38.460 0.041 0.000 1.108 380 Y HN 0.715 nan 8.280 nan 0.000 0.509 381 A N 2.460 125.335 122.820 0.092 0.000 2.298 381 A HA 0.790 5.109 4.320 -0.000 0.000 0.302 381 A C -0.504 177.132 177.584 0.086 0.000 1.177 381 A CA -0.713 51.371 52.037 0.078 0.000 0.912 381 A CB 0.385 19.420 19.000 0.058 0.000 1.331 381 A HN 0.409 nan 8.150 nan 0.000 0.504 382 V N 0.348 120.318 119.914 0.094 0.000 2.649 382 V HA 0.374 4.494 4.120 -0.000 0.000 0.292 382 V C 1.761 177.892 176.094 0.062 0.000 1.055 382 V CA 0.259 62.608 62.300 0.081 0.000 1.023 382 V CB 0.517 32.379 31.823 0.066 0.000 0.992 382 V HN 1.168 nan 8.190 nan 0.000 0.480 383 A N 3.587 126.436 122.820 0.048 0.000 1.915 383 A HA -0.226 4.093 4.320 -0.000 0.000 0.220 383 A C 2.384 179.994 177.584 0.044 0.000 1.198 383 A CA 2.670 54.727 52.037 0.034 0.000 0.647 383 A CB -0.990 18.025 19.000 0.024 0.000 0.825 383 A HN 1.273 nan 8.150 nan 0.000 0.456 384 S N -1.774 113.974 115.700 0.080 0.000 2.465 384 S HA 0.227 4.697 4.470 -0.000 0.000 0.241 384 S C 1.601 176.280 174.600 0.132 0.000 1.000 384 S CA 1.535 59.837 58.200 0.170 0.000 0.964 384 S CB -0.531 62.831 63.200 0.270 0.000 0.763 384 S HN 2.156 nan 8.310 nan 0.000 0.512 385 G N 0.056 108.893 108.800 0.062 0.000 2.201 385 G HA2 0.009 3.968 3.960 -0.000 0.000 0.212 385 G HA3 0.009 3.968 3.960 -0.000 0.000 0.212 385 G C 0.192 175.114 174.900 0.036 0.000 0.994 385 G CA -0.058 44.989 45.100 -0.089 0.000 0.644 385 G HN 1.286 nan 8.290 nan 0.000 0.508 386 A N -0.136 122.866 122.820 0.303 0.000 2.302 386 A HA 0.877 5.196 4.320 -0.000 0.000 0.285 386 A C 0.536 178.262 177.584 0.237 0.000 1.105 386 A CA 0.253 52.516 52.037 0.377 0.000 0.816 386 A CB 1.134 20.307 19.000 0.287 0.000 1.067 386 A HN 1.819 nan 8.150 nan 0.000 0.489 387 V N -0.224 119.837 119.914 0.245 0.000 2.769 387 V HA 0.614 4.733 4.120 -0.000 0.000 0.312 387 V C -0.325 175.871 176.094 0.171 0.000 1.061 387 V CA -1.110 61.273 62.300 0.138 0.000 0.931 387 V CB 1.765 33.569 31.823 -0.033 0.000 1.010 387 V HN 0.827 nan 8.190 nan 0.000 0.433 388 N N 2.761 121.486 118.700 0.042 0.000 2.469 388 N HA 0.280 5.020 4.740 -0.000 0.000 0.239 388 N C 0.691 176.064 175.510 -0.229 0.000 1.053 388 N CA -0.167 52.784 53.050 -0.166 0.000 0.937 388 N CB 1.243 39.577 38.487 -0.256 0.000 1.163 388 N HN 0.570 nan 8.380 nan 0.000 0.509 389 V N 2.988 122.768 119.914 -0.223 0.000 2.568 389 V HA -0.237 3.883 4.120 -0.000 0.000 0.253 389 V C 2.119 178.080 176.094 -0.222 0.000 1.072 389 V CA 2.087 64.246 62.300 -0.235 0.000 1.084 389 V CB -1.107 30.626 31.823 -0.150 0.000 0.676 389 V HN 0.774 nan 8.190 nan 0.000 0.469 390 A N 0.379 123.051 122.820 -0.246 0.000 2.209 390 A HA 0.114 4.433 4.320 -0.000 0.000 0.212 390 A C 2.141 179.530 177.584 -0.326 0.000 1.158 390 A CA 1.271 53.137 52.037 -0.285 0.000 0.742 390 A CB -0.551 18.264 19.000 -0.310 0.000 0.790 390 A HN 0.557 nan 8.150 nan 0.000 0.472 391 G N -1.250 107.386 108.800 -0.272 0.000 3.088 391 G HA2 0.353 4.313 3.960 -0.000 0.000 0.217 391 G HA3 0.353 4.313 3.960 -0.000 0.000 0.217 391 G C 0.515 175.297 174.900 -0.196 0.000 1.159 391 G CA -0.355 44.600 45.100 -0.242 0.000 0.760 391 G HN 0.434 nan 8.290 nan 0.000 0.550 392 M N 1.696 121.177 119.600 -0.199 0.000 2.249 392 M HA 0.450 4.930 4.480 -0.000 0.000 0.351 392 M C 0.129 176.357 176.300 -0.120 0.000 1.180 392 M CA -0.109 55.095 55.300 -0.160 0.000 1.127 392 M CB 1.691 34.176 32.600 -0.193 0.000 1.546 392 M HN 0.089 nan 8.290 nan 0.000 0.461 393 T N -1.430 113.076 114.554 -0.081 0.000 2.900 393 T HA 0.466 4.816 4.350 -0.000 0.000 0.303 393 T C -2.526 172.156 174.700 -0.029 0.000 1.142 393 T CA -1.718 60.348 62.100 -0.056 0.000 1.007 393 T CB 1.863 70.698 68.868 -0.054 0.000 1.156 393 T HN 0.325 nan 8.240 nan 0.000 0.490 394 P HA -0.063 nan 4.420 nan 0.000 0.218 394 P C 0.559 177.856 177.300 -0.004 0.000 1.146 394 P CA 1.224 64.321 63.100 -0.005 0.000 0.813 394 P CB 0.013 31.712 31.700 -0.002 0.000 0.778 395 D N -0.605 119.790 120.400 -0.008 0.000 2.120 395 D HA -0.120 4.520 4.640 -0.000 0.000 0.202 395 D C 1.599 177.898 176.300 -0.002 0.000 0.972 395 D CA 1.151 55.149 54.000 -0.003 0.000 0.837 395 D CB -0.506 40.292 40.800 -0.003 0.000 0.989 395 D HN 0.243 nan 8.370 nan 0.000 0.469 396 N N 0.109 118.805 118.700 -0.008 0.000 2.412 396 N HA -0.054 4.686 4.740 -0.000 0.000 0.184 396 N C 1.385 176.892 175.510 -0.004 0.000 1.101 396 N CA 0.232 53.279 53.050 -0.005 0.000 0.881 396 N CB -0.227 38.254 38.487 -0.009 0.000 0.969 396 N HN 0.106 nan 8.380 nan 0.000 0.459 397 M N 0.854 120.453 119.600 -0.002 0.000 2.080 397 M HA -0.025 4.455 4.480 -0.000 0.000 0.260 397 M C 1.987 178.297 176.300 0.016 0.000 1.068 397 M CA 1.736 57.046 55.300 0.017 0.000 1.109 397 M CB -0.510 32.108 32.600 0.030 0.000 1.342 397 M HN 0.288 nan 8.290 nan 0.000 0.405 398 A N 0.472 123.295 122.820 0.004 0.000 1.849 398 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 398 A C -0.237 177.336 177.584 -0.018 0.000 1.202 398 A CA 2.100 54.133 52.037 -0.007 0.000 0.629 398 A CB -2.472 16.526 19.000 -0.005 0.000 0.834 398 A HN 0.453 nan 8.150 nan 0.000 0.447 399 P HA -0.173 nan 4.420 nan 0.000 0.216 399 P C 1.721 178.996 177.300 -0.042 0.000 1.153 399 P CA 1.450 64.544 63.100 -0.010 0.000 0.858 399 P CB -0.259 31.453 31.700 0.020 0.000 0.789 400 L N -0.876 120.333 121.223 -0.022 0.000 2.093 400 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 400 L C 2.100 178.943 176.870 -0.046 0.000 1.085 400 L CA 1.920 56.743 54.840 -0.027 0.000 0.755 400 L CB -1.360 40.696 42.059 -0.006 0.000 0.904 400 L HN -0.081 nan 8.230 nan 0.000 0.435 401 C N 0.433 119.713 119.300 -0.032 0.000 2.467 401 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 401 C C 2.588 177.496 174.990 -0.136 0.000 1.347 401 C CA 0.490 59.467 59.018 -0.067 0.000 1.748 401 C CB -0.742 26.962 27.740 -0.061 0.000 1.977 401 C HN 0.617 nan 8.230 nan 0.000 0.501 402 E N 1.884 122.001 120.200 -0.138 0.000 2.031 402 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 402 E C 2.431 178.836 176.600 -0.324 0.000 0.994 402 E CA 1.540 57.838 56.400 -0.170 0.000 0.800 402 E CB -0.827 28.801 29.700 -0.120 0.000 0.752 402 E HN 0.619 nan 8.360 nan 0.000 0.447 403 A N 2.145 124.657 122.820 -0.514 0.000 1.892 403 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 403 A C 2.395 179.652 177.584 -0.545 0.000 1.188 403 A CA 1.969 53.404 52.037 -1.004 0.000 0.631 403 A CB -0.919 17.522 19.000 -0.932 0.000 0.822 403 A HN 0.379 nan 8.150 nan 0.000 0.447 404 I N -0.916 119.486 120.570 -0.281 0.000 2.286 404 I HA -0.058 4.111 4.170 -0.000 0.000 0.248 404 I C 1.025 177.066 176.117 -0.127 0.000 1.115 404 I CA 0.763 61.966 61.300 -0.161 0.000 1.392 404 I CB -0.450 37.492 38.000 -0.097 0.000 1.065 404 I HN 0.091 nan 8.210 nan 0.000 0.418 408 V N -1.518 118.422 119.914 0.043 0.000 3.432 408 V HA 0.528 4.647 4.120 -0.000 0.000 0.298 408 V C 0.581 176.720 176.094 0.076 0.000 1.464 408 V CA -0.111 62.240 62.300 0.086 0.000 1.046 408 V CB -0.569 31.316 31.823 0.104 0.000 0.887 408 V HN 0.281 nan 8.190 nan 0.000 0.441 409 L N 0.000 121.267 121.223 0.074 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 409 L CA 0.000 54.898 54.840 0.097 0.000 0.813 409 L CB 0.000 42.139 42.059 0.134 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502