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 3mwp_1_A DATA FIRST_RESID 7 DATA SEQUENCE IKSFLWTQSL RRELSGYCSN IKLQVVKDAQ ALLHGLDFSE VSNVQRLMRK DATA SEQUENCE ERRDDNDLKR LRDLNQAVNN LVELKSTQQK SILRVGTLTS DDLLILAADL DATA SEQUENCE EKLKSKVIRT ERPLSAGVYM GNLSSQQLDQ RRALLNMIGM XXXXXXXXXX DATA SEQUENCE XDGVVRVWDV KNAELLNNQF GTMPSLTLAC LTKQGQVDLN DAVQALTDLG DATA SEQUENCE LIYTAKYPNT SDLDRLTQSH PILNMIDTKK SSLNISGYNF SLGAAVKAGA DATA SEQUENCE CMLDGGNMLE TIKVSPQTMD GILKSILKVK KALGMFISDT PGERNPYENI DATA SEQUENCE LYKICLSGDG WPYIASRTSI TGRAWENTVV DLXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXGLT YSQLMTLKDA MLQLDPNAKT WMDIEGRPED PVEIALYQPS DATA SEQUENCE SGCYIHFFRE PTDLKQFKQD AKYSHGIDVT DLFATQPGLT SAVIDALPRN DATA SEQUENCE MVITCQGSDD IRKLLESQGR KDIKLIDIAL SKTDSRKYEN AVWDQYKDLC DATA SEQUENCE HMHTGVVVEK XXXXXKEEIT PHCALMDCIM FDAAVSGGLX XSVLRAVLPR DATA SEQUENCE DMVFR 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.136 176.117 0.032 0.000 1.063 7 I CA 0.000 61.327 61.300 0.044 0.000 1.566 7 I CB 0.000 38.012 38.000 0.021 0.000 1.214 8 K N 2.126 122.497 120.400 -0.049 0.000 2.103 8 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 8 K C 1.744 178.075 176.600 -0.448 0.000 1.048 8 K CA 2.108 58.306 56.287 -0.148 0.000 0.930 8 K CB -0.051 32.362 32.500 -0.145 0.000 0.716 8 K HN 0.650 nan 8.250 nan 0.000 0.444 9 S N -0.043 115.397 115.700 -0.432 0.000 2.353 9 S HA -0.193 4.277 4.470 -0.000 0.000 0.222 9 S C 1.767 176.316 174.600 -0.084 0.000 1.035 9 S CA 1.320 59.255 58.200 -0.442 0.000 1.025 9 S CB -0.465 62.569 63.200 -0.276 0.000 0.902 9 S HN 0.437 nan 8.310 nan 0.000 0.440 10 F N 1.729 121.641 119.950 -0.063 0.000 2.234 10 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 10 F C 1.827 177.674 175.800 0.078 0.000 1.087 10 F CA 1.100 59.133 58.000 0.055 0.000 1.340 10 F CB -0.525 38.529 39.000 0.089 0.000 1.031 10 F HN 0.317 nan 8.300 nan 0.000 0.500 11 L N -0.605 120.655 121.223 0.061 0.000 2.046 11 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 11 L C 1.895 178.858 176.870 0.156 0.000 1.077 11 L CA 1.823 56.703 54.840 0.066 0.000 0.747 11 L CB -1.100 41.051 42.059 0.152 0.000 0.896 11 L HN 0.161 nan 8.230 nan 0.000 0.432 12 W N 0.094 121.356 121.300 -0.063 0.000 2.354 12 W HA -0.123 4.537 4.660 -0.000 0.000 0.315 12 W C 2.689 179.150 176.519 -0.096 0.000 1.206 12 W CA 1.644 58.952 57.345 -0.061 0.000 1.290 12 W CB -1.852 27.593 29.460 -0.025 0.000 1.152 12 W HN 0.094 nan 8.180 nan 0.000 0.489 13 T N 0.480 115.096 114.554 0.104 0.000 2.665 13 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 13 T C 1.788 176.355 174.700 -0.222 0.000 1.035 13 T CA 2.007 64.073 62.100 -0.057 0.000 1.151 13 T CB -0.418 68.403 68.868 -0.079 0.000 0.862 13 T HN 0.245 nan 8.240 nan 0.000 0.438 14 Q N 0.415 119.971 119.800 -0.407 0.000 2.084 14 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 14 Q C 2.749 178.656 176.000 -0.154 0.000 0.978 14 Q CA 1.409 56.995 55.803 -0.362 0.000 0.844 14 Q CB -0.190 28.304 28.738 -0.408 0.000 0.898 14 Q HN 0.459 nan 8.270 nan 0.000 0.426 15 S N 1.023 116.672 115.700 -0.086 0.000 2.402 15 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 15 S C 2.017 176.597 174.600 -0.033 0.000 1.021 15 S CA 0.688 58.861 58.200 -0.044 0.000 0.974 15 S CB -0.127 63.057 63.200 -0.026 0.000 0.800 15 S HN 0.242 nan 8.310 nan 0.000 0.484 16 L N 1.084 122.297 121.223 -0.017 0.000 2.017 16 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 16 L C 2.733 179.605 176.870 0.005 0.000 1.073 16 L CA 1.250 56.097 54.840 0.012 0.000 0.745 16 L CB -0.424 41.672 42.059 0.062 0.000 0.894 16 L HN 0.203 nan 8.230 nan 0.000 0.432 17 R N -0.416 120.061 120.500 -0.037 0.000 2.096 17 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 17 R C 2.479 178.765 176.300 -0.023 0.000 1.139 17 R CA 1.496 57.569 56.100 -0.045 0.000 0.952 17 R CB -0.358 29.879 30.300 -0.104 0.000 0.854 17 R HN 0.316 nan 8.270 nan 0.000 0.436 18 R N 0.270 120.750 120.500 -0.032 0.000 2.080 18 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 18 R C 2.304 178.604 176.300 -0.001 0.000 1.137 18 R CA 1.786 57.874 56.100 -0.021 0.000 0.943 18 R CB -0.209 30.075 30.300 -0.026 0.000 0.846 18 R HN 0.145 nan 8.270 nan 0.000 0.431 19 E N 0.778 120.984 120.200 0.009 0.000 2.106 19 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 19 E C 1.336 177.984 176.600 0.080 0.000 0.984 19 E CA 1.106 57.525 56.400 0.030 0.000 0.806 19 E CB 0.014 29.726 29.700 0.021 0.000 0.750 19 E HN 0.277 nan 8.360 nan 0.000 0.458 20 L N 0.838 122.122 121.223 0.103 0.000 2.653 20 L HA 0.171 4.511 4.340 -0.000 0.000 0.231 20 L C 1.894 178.864 176.870 0.166 0.000 1.153 20 L CA 0.464 55.434 54.840 0.216 0.000 0.933 20 L CB -0.136 42.037 42.059 0.191 0.000 1.175 20 L HN 0.142 nan 8.230 nan 0.000 0.473 21 S N -0.074 115.659 115.700 0.056 0.000 2.387 21 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 21 S C 2.040 176.624 174.600 -0.027 0.000 1.035 21 S CA 1.324 59.532 58.200 0.013 0.000 1.014 21 S CB -0.779 62.414 63.200 -0.012 0.000 0.836 21 S HN 0.465 nan 8.310 nan 0.000 0.466 22 G N -0.563 108.162 108.800 -0.125 0.000 2.498 22 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.219 22 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.219 22 G C 0.833 175.512 174.900 -0.368 0.000 1.119 22 G CA 0.589 45.513 45.100 -0.294 0.000 0.766 22 G HN 0.682 nan 8.290 nan 0.000 0.552 23 Y N -0.430 119.878 120.300 0.014 0.000 2.458 23 Y HA 0.329 4.878 4.550 -0.000 0.000 0.256 23 Y C 1.544 177.466 175.900 0.036 0.000 1.159 23 Y CA -1.539 56.572 58.100 0.019 0.000 1.261 23 Y CB -0.247 38.225 38.460 0.020 0.000 1.119 23 Y HN 0.004 nan 8.280 nan 0.000 0.524 24 C N 1.284 120.670 119.300 0.145 0.000 2.534 24 C HA 0.611 5.071 4.460 -0.000 0.000 0.385 24 C C 0.798 175.843 174.990 0.092 0.000 1.264 24 C CA -0.544 58.539 59.018 0.108 0.000 2.342 24 C CB 0.056 27.834 27.740 0.062 0.000 2.564 24 C HN 0.489 nan 8.230 nan 0.000 0.603 25 S N 1.760 117.525 115.700 0.108 0.000 2.627 25 S HA 0.470 4.940 4.470 -0.000 0.000 0.283 25 S C -1.331 173.320 174.600 0.084 0.000 1.127 25 S CA -0.763 57.502 58.200 0.108 0.000 0.863 25 S CB 1.000 64.305 63.200 0.175 0.000 1.121 25 S HN 0.673 nan 8.310 nan 0.000 0.479 26 N N 1.499 120.239 118.700 0.067 0.000 2.439 26 N HA 0.348 5.088 4.740 -0.000 0.000 0.243 26 N C 0.090 175.626 175.510 0.043 0.000 1.088 26 N CA -0.379 52.698 53.050 0.045 0.000 0.940 26 N CB 0.473 38.979 38.487 0.032 0.000 1.180 26 N HN 0.726 nan 8.380 nan 0.000 0.505 27 I N -0.700 119.886 120.570 0.027 0.000 4.009 27 I HA 0.237 4.407 4.170 -0.000 0.000 0.331 27 I C 1.645 177.741 176.117 -0.035 0.000 1.462 27 I CA -0.331 60.964 61.300 -0.009 0.000 1.117 27 I CB 0.230 38.205 38.000 -0.041 0.000 1.091 27 I HN 0.174 nan 8.210 nan 0.000 0.410 28 K N 1.875 122.267 120.400 -0.014 0.000 2.059 28 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 28 K C 2.051 178.636 176.600 -0.026 0.000 1.050 28 K CA 2.435 58.712 56.287 -0.018 0.000 0.927 28 K CB -0.216 32.280 32.500 -0.006 0.000 0.714 28 K HN 0.609 nan 8.250 nan 0.000 0.447 29 L N 0.771 121.982 121.223 -0.020 0.000 2.042 29 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 29 L C 2.372 179.220 176.870 -0.036 0.000 1.076 29 L CA 1.553 56.381 54.840 -0.020 0.000 0.749 29 L CB -0.216 41.837 42.059 -0.010 0.000 0.893 29 L HN 0.362 nan 8.230 nan 0.000 0.432 30 Q N -0.867 118.899 119.800 -0.057 0.000 2.079 30 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 30 Q C 2.230 178.163 176.000 -0.111 0.000 0.974 30 Q CA 1.790 57.536 55.803 -0.096 0.000 0.840 30 Q CB -0.176 28.471 28.738 -0.151 0.000 0.898 30 Q HN 0.448 nan 8.270 nan 0.000 0.430 31 V N 0.282 120.130 119.914 -0.109 0.000 2.287 31 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 31 V C 2.187 178.253 176.094 -0.048 0.000 1.053 31 V CA 1.549 63.796 62.300 -0.089 0.000 1.027 31 V CB -0.463 31.317 31.823 -0.071 0.000 0.646 31 V HN 0.206 nan 8.190 nan 0.000 0.447 32 V N -0.153 119.741 119.914 -0.033 0.000 2.427 32 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 32 V C 2.401 178.488 176.094 -0.011 0.000 1.051 32 V CA 2.284 64.575 62.300 -0.015 0.000 1.048 32 V CB -0.663 31.154 31.823 -0.011 0.000 0.666 32 V HN 0.582 nan 8.190 nan 0.000 0.456 33 K N 0.068 120.454 120.400 -0.022 0.000 2.026 33 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 33 K C 1.845 178.439 176.600 -0.010 0.000 1.048 33 K CA 2.009 58.285 56.287 -0.018 0.000 0.929 33 K CB -0.224 32.260 32.500 -0.027 0.000 0.713 33 K HN 0.400 nan 8.250 nan 0.000 0.439 34 D N 0.423 120.807 120.400 -0.027 0.000 2.117 34 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 34 D C 1.794 178.106 176.300 0.020 0.000 0.987 34 D CA 1.363 55.353 54.000 -0.017 0.000 0.829 34 D CB -0.291 40.477 40.800 -0.053 0.000 0.961 34 D HN 0.377 nan 8.370 nan 0.000 0.460 35 A N 0.905 123.738 122.820 0.022 0.000 1.883 35 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 35 A C 2.102 179.737 177.584 0.085 0.000 1.186 35 A CA 1.412 53.484 52.037 0.059 0.000 0.624 35 A CB -0.497 18.528 19.000 0.042 0.000 0.822 35 A HN 0.141 nan 8.150 nan 0.000 0.444 36 Q N -0.791 119.044 119.800 0.058 0.000 2.119 36 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 36 Q C 2.440 178.505 176.000 0.108 0.000 0.972 36 Q CA 1.436 57.280 55.803 0.069 0.000 0.847 36 Q CB -0.522 28.234 28.738 0.031 0.000 0.903 36 Q HN 0.683 nan 8.270 nan 0.000 0.433 37 A N 0.817 123.690 122.820 0.088 0.000 1.933 37 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 37 A C 2.195 179.867 177.584 0.146 0.000 1.175 37 A CA 0.965 53.068 52.037 0.110 0.000 0.628 37 A CB -0.574 18.464 19.000 0.063 0.000 0.814 37 A HN 0.278 nan 8.150 nan 0.000 0.444 38 L N -0.882 120.427 121.223 0.144 0.000 2.072 38 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 38 L C 2.520 179.599 176.870 0.349 0.000 1.079 38 L CA 0.860 55.808 54.840 0.179 0.000 0.752 38 L CB -0.526 41.645 42.059 0.188 0.000 0.906 38 L HN 0.343 nan 8.230 nan 0.000 0.436 39 L N -0.870 120.563 121.223 0.350 0.000 2.079 39 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 39 L C 2.727 179.778 176.870 0.301 0.000 1.081 39 L CA 1.369 56.402 54.840 0.321 0.000 0.752 39 L CB -0.731 41.404 42.059 0.127 0.000 0.896 39 L HN 0.403 nan 8.230 nan 0.000 0.433 40 H N -0.715 118.443 119.070 0.147 0.000 2.403 40 H HA -0.063 4.493 4.556 -0.000 0.000 0.298 40 H C 1.830 177.219 175.328 0.102 0.000 1.059 40 H CA 1.413 57.522 56.048 0.102 0.000 1.363 40 H CB 0.498 30.298 29.762 0.063 0.000 1.410 40 H HN 0.357 nan 8.280 nan 0.000 0.528 41 G N 0.317 109.142 108.800 0.041 0.000 2.833 41 G HA2 0.112 4.072 3.960 -0.000 0.000 0.214 41 G HA3 0.112 4.072 3.960 -0.000 0.000 0.214 41 G C -0.015 174.853 174.900 -0.054 0.000 1.075 41 G CA -0.264 44.806 45.100 -0.050 0.000 0.799 41 G HN 0.147 nan 8.290 nan 0.000 0.541 42 L N 1.401 122.589 121.223 -0.059 0.000 2.357 42 L HA 0.516 4.856 4.340 -0.000 0.000 0.273 42 L C -0.872 175.823 176.870 -0.291 0.000 1.080 42 L CA -0.926 53.757 54.840 -0.261 0.000 0.803 42 L CB 1.679 43.417 42.059 -0.535 0.000 1.174 42 L HN -0.080 nan 8.230 nan 0.000 0.443 43 D N 2.725 122.967 120.400 -0.264 0.000 2.365 43 D HA 0.067 4.707 4.640 -0.000 0.000 0.237 43 D C 0.528 176.704 176.300 -0.207 0.000 1.190 43 D CA 0.224 54.138 54.000 -0.143 0.000 0.867 43 D CB 0.211 40.954 40.800 -0.095 0.000 1.050 43 D HN 0.403 nan 8.370 nan 0.000 0.491 44 F N 1.440 121.396 119.950 0.010 0.000 2.710 44 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 44 F C 2.641 178.451 175.800 0.017 0.000 1.137 44 F CA 0.443 58.459 58.000 0.028 0.000 1.444 44 F CB -0.026 39.005 39.000 0.051 0.000 1.111 44 F HN 0.393 nan 8.300 nan 0.000 0.580 45 S N -0.212 115.567 115.700 0.132 0.000 2.399 45 S HA -0.227 4.243 4.470 -0.000 0.000 0.231 45 S C 1.953 176.557 174.600 0.008 0.000 1.022 45 S CA 1.448 59.688 58.200 0.066 0.000 0.983 45 S CB -0.333 62.894 63.200 0.045 0.000 0.803 45 S HN 0.335 nan 8.310 nan 0.000 0.480 46 E N 1.294 121.468 120.200 -0.044 0.000 2.152 46 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 46 E C 1.876 178.380 176.600 -0.160 0.000 0.983 46 E CA 0.934 57.273 56.400 -0.101 0.000 0.818 46 E CB -0.633 28.989 29.700 -0.130 0.000 0.758 46 E HN 0.376 nan 8.360 nan 0.000 0.467 47 V N 0.249 120.069 119.914 -0.157 0.000 2.287 47 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 47 V C 2.433 178.498 176.094 -0.049 0.000 1.053 47 V CA 2.041 64.249 62.300 -0.153 0.000 1.027 47 V CB -0.881 30.979 31.823 0.060 0.000 0.646 47 V HN 0.354 nan 8.190 nan 0.000 0.447 48 S N 0.053 115.777 115.700 0.040 0.000 2.382 48 S HA -0.258 4.212 4.470 -0.000 0.000 0.228 48 S C 1.939 176.547 174.600 0.013 0.000 1.027 48 S CA 2.079 60.316 58.200 0.061 0.000 0.991 48 S CB -0.543 62.704 63.200 0.078 0.000 0.823 48 S HN 0.671 nan 8.310 nan 0.000 0.469 49 N N 0.609 119.295 118.700 -0.023 0.000 2.120 49 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 49 N C 1.552 177.032 175.510 -0.050 0.000 1.024 49 N CA 1.616 54.646 53.050 -0.034 0.000 0.852 49 N CB -0.455 38.004 38.487 -0.046 0.000 1.003 49 N HN 0.279 nan 8.380 nan 0.000 0.424 50 V N 0.684 120.528 119.914 -0.117 0.000 2.427 50 V HA -0.197 3.922 4.120 -0.000 0.000 0.248 50 V C 2.214 178.288 176.094 -0.033 0.000 1.051 50 V CA 1.524 63.746 62.300 -0.130 0.000 1.048 50 V CB -0.595 31.006 31.823 -0.370 0.000 0.666 50 V HN 0.392 nan 8.190 nan 0.000 0.456 51 Q N -0.309 119.483 119.800 -0.012 0.000 2.096 51 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 51 Q C 2.474 178.502 176.000 0.046 0.000 0.982 51 Q CA 1.971 57.807 55.803 0.055 0.000 0.850 51 Q CB -0.337 28.455 28.738 0.091 0.000 0.901 51 Q HN 0.528 nan 8.270 nan 0.000 0.422 52 R N 0.783 121.300 120.500 0.029 0.000 2.096 52 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 52 R C 2.102 178.407 176.300 0.007 0.000 1.139 52 R CA 1.430 57.541 56.100 0.019 0.000 0.952 52 R CB -0.269 30.038 30.300 0.012 0.000 0.854 52 R HN 0.262 nan 8.270 nan 0.000 0.436 53 L N -0.001 121.226 121.223 0.008 0.000 2.141 53 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 53 L C 2.513 179.374 176.870 -0.015 0.000 1.094 53 L CA 0.719 55.559 54.840 -0.000 0.000 0.763 53 L CB -0.335 41.744 42.059 0.032 0.000 0.908 53 L HN 0.248 nan 8.230 nan 0.000 0.437 54 M N -0.468 119.152 119.600 0.034 0.000 2.394 54 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 54 M C 2.143 178.443 176.300 -0.000 0.000 1.073 54 M CA 1.389 56.718 55.300 0.048 0.000 1.111 54 M CB -0.906 31.776 32.600 0.137 0.000 1.401 54 M HN 0.216 nan 8.290 nan 0.000 0.448 55 R N 0.336 120.836 120.500 0.000 0.000 2.236 55 R HA 0.041 4.381 4.340 -0.000 0.000 0.208 55 R C 0.370 176.644 176.300 -0.042 0.000 1.036 55 R CA 0.316 56.410 56.100 -0.010 0.000 1.001 55 R CB 0.052 30.356 30.300 0.007 0.000 0.896 55 R HN 0.379 nan 8.270 nan 0.000 0.464 56 K N 1.240 121.599 120.400 -0.069 0.000 2.401 56 K HA -0.028 4.292 4.320 -0.000 0.000 0.278 56 K C 0.645 177.165 176.600 -0.133 0.000 1.018 56 K CA 0.137 56.367 56.287 -0.096 0.000 0.981 56 K CB 0.748 33.178 32.500 -0.115 0.000 0.933 56 K HN 0.146 nan 8.250 nan 0.000 0.477 57 E N 2.246 122.380 120.200 -0.109 0.000 2.106 57 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 57 E C -0.033 176.468 176.600 -0.165 0.000 0.984 57 E CA 1.135 57.464 56.400 -0.118 0.000 0.806 57 E CB 0.173 29.825 29.700 -0.080 0.000 0.750 57 E HN 0.342 nan 8.360 nan 0.000 0.458 58 R N 0.646 121.050 120.500 -0.160 0.000 2.480 58 R HA 0.436 4.776 4.340 -0.000 0.000 0.306 58 R C -0.624 175.547 176.300 -0.215 0.000 0.958 58 R CA -0.419 55.574 56.100 -0.179 0.000 0.861 58 R CB 1.872 32.114 30.300 -0.097 0.000 1.171 58 R HN -0.076 nan 8.270 nan 0.000 0.445 59 R N 1.166 121.464 120.500 -0.336 0.000 2.803 59 R HA 0.373 4.713 4.340 -0.000 0.000 0.276 59 R C -0.741 175.526 176.300 -0.054 0.000 0.978 59 R CA -1.013 54.876 56.100 -0.351 0.000 0.939 59 R CB 1.452 31.169 30.300 -0.972 0.000 1.179 59 R HN 0.657 nan 8.270 nan 0.000 0.472 60 D N -0.959 119.506 120.400 0.108 0.000 2.758 60 D HA 0.140 4.780 4.640 -0.000 0.000 0.262 60 D C -0.007 176.464 176.300 0.286 0.000 1.113 60 D CA -0.623 53.500 54.000 0.206 0.000 1.114 60 D CB 0.247 41.114 40.800 0.111 0.000 1.363 60 D HN 0.224 nan 8.370 nan 0.000 0.617 61 D N -0.970 119.544 120.400 0.191 0.000 2.144 61 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 61 D C 1.305 177.677 176.300 0.120 0.000 0.984 61 D CA 0.852 54.941 54.000 0.148 0.000 0.834 61 D CB -0.062 40.797 40.800 0.098 0.000 0.955 61 D HN 0.282 nan 8.370 nan 0.000 0.465 62 N N 1.291 120.053 118.700 0.103 0.000 2.104 62 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 62 N C 1.288 176.858 175.510 0.099 0.000 1.024 62 N CA 0.879 53.976 53.050 0.077 0.000 0.853 62 N CB -0.305 38.216 38.487 0.057 0.000 1.008 62 N HN 0.279 nan 8.380 nan 0.000 0.424 63 D N 0.576 121.068 120.400 0.154 0.000 2.117 63 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 63 D C 2.038 178.506 176.300 0.280 0.000 0.987 63 D CA 0.430 54.554 54.000 0.208 0.000 0.829 63 D CB -0.301 40.632 40.800 0.221 0.000 0.961 63 D HN 0.127 nan 8.370 nan 0.000 0.460 64 L N 1.467 122.883 121.223 0.322 0.000 2.093 64 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 64 L C 2.076 178.949 176.870 0.005 0.000 1.085 64 L CA 1.642 56.539 54.840 0.095 0.000 0.755 64 L CB -0.521 41.508 42.059 -0.051 0.000 0.904 64 L HN -0.127 nan 8.230 nan 0.000 0.435 65 K N -0.926 119.493 120.400 0.032 0.000 2.032 65 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 65 K C 2.207 178.797 176.600 -0.017 0.000 1.048 65 K CA 1.149 57.435 56.287 -0.002 0.000 0.927 65 K CB -0.071 32.435 32.500 0.010 0.000 0.712 65 K HN 0.200 nan 8.250 nan 0.000 0.441 66 R N 0.872 121.373 120.500 0.001 0.000 2.096 66 R HA -0.169 4.171 4.340 -0.000 0.000 0.240 66 R C 2.415 178.676 176.300 -0.066 0.000 1.139 66 R CA 1.226 57.308 56.100 -0.029 0.000 0.952 66 R CB -1.155 29.135 30.300 -0.016 0.000 0.854 66 R HN 0.319 nan 8.270 nan 0.000 0.436 67 L N 1.342 122.539 121.223 -0.043 0.000 2.012 67 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 67 L C 2.317 179.119 176.870 -0.113 0.000 1.073 67 L CA 1.812 56.599 54.840 -0.089 0.000 0.748 67 L CB -0.391 41.632 42.059 -0.060 0.000 0.891 67 L HN -0.005 nan 8.230 nan 0.000 0.431 68 R N -0.511 119.919 120.500 -0.117 0.000 2.092 68 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 68 R C 1.949 178.202 176.300 -0.078 0.000 1.119 68 R CA 1.338 57.369 56.100 -0.115 0.000 0.970 68 R CB -0.450 29.783 30.300 -0.113 0.000 0.864 68 R HN 0.438 nan 8.270 nan 0.000 0.440 69 D N 0.736 121.095 120.400 -0.069 0.000 2.097 69 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 69 D C 1.785 178.046 176.300 -0.066 0.000 0.989 69 D CA 0.891 54.855 54.000 -0.060 0.000 0.827 69 D CB -0.186 40.581 40.800 -0.055 0.000 0.966 69 D HN 0.027 nan 8.370 nan 0.000 0.456 70 L N 1.186 122.354 121.223 -0.091 0.000 2.046 70 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 70 L C 1.581 178.443 176.870 -0.013 0.000 1.077 70 L CA 1.555 56.332 54.840 -0.105 0.000 0.747 70 L CB -0.650 41.260 42.059 -0.248 0.000 0.896 70 L HN -0.089 nan 8.230 nan 0.000 0.432 71 N N -0.467 118.242 118.700 0.014 0.000 2.104 71 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 71 N C 1.855 177.361 175.510 -0.006 0.000 1.024 71 N CA 1.375 54.447 53.050 0.037 0.000 0.853 71 N CB -0.305 38.167 38.487 -0.024 0.000 1.008 71 N HN 0.429 nan 8.380 nan 0.000 0.424 72 Q N 0.861 120.644 119.800 -0.028 0.000 2.084 72 Q HA 0.067 4.407 4.340 -0.000 0.000 0.202 72 Q C 1.839 177.824 176.000 -0.024 0.000 0.978 72 Q CA 1.711 57.497 55.803 -0.028 0.000 0.844 72 Q CB -0.516 28.202 28.738 -0.033 0.000 0.898 72 Q HN 0.353 nan 8.270 nan 0.000 0.426 73 A N -0.672 122.129 122.820 -0.031 0.000 1.908 73 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 73 A C 2.264 179.830 177.584 -0.030 0.000 1.181 73 A CA 1.710 53.725 52.037 -0.038 0.000 0.627 73 A CB -0.840 18.123 19.000 -0.061 0.000 0.818 73 A HN 0.273 nan 8.150 nan 0.000 0.445 74 V N 0.541 120.445 119.914 -0.017 0.000 2.358 74 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 74 V C 2.384 178.471 176.094 -0.011 0.000 1.047 74 V CA 2.332 64.625 62.300 -0.011 0.000 1.035 74 V CB -1.132 30.698 31.823 0.011 0.000 0.658 74 V HN 0.800 nan 8.190 nan 0.000 0.452 75 N N 0.691 119.385 118.700 -0.010 0.000 2.120 75 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 75 N C 1.639 177.148 175.510 -0.001 0.000 1.024 75 N CA 1.542 54.588 53.050 -0.006 0.000 0.852 75 N CB -0.201 38.281 38.487 -0.008 0.000 1.003 75 N HN 0.404 nan 8.380 nan 0.000 0.424 76 N N 0.058 118.755 118.700 -0.004 0.000 2.192 76 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 76 N C 1.272 176.786 175.510 0.006 0.000 1.013 76 N CA 0.834 53.884 53.050 -0.000 0.000 0.863 76 N CB -0.156 38.328 38.487 -0.006 0.000 0.990 76 N HN 0.396 nan 8.380 nan 0.000 0.430 77 L N -0.042 121.184 121.223 0.004 0.000 2.416 77 L HA 0.125 4.465 4.340 -0.000 0.000 0.216 77 L C 0.520 177.398 176.870 0.014 0.000 1.098 77 L CA -0.066 54.783 54.840 0.015 0.000 0.840 77 L CB 0.230 42.299 42.059 0.017 0.000 0.981 77 L HN -0.049 nan 8.230 nan 0.000 0.462 78 V N -3.964 115.951 119.914 0.002 0.000 2.713 78 V HA 0.297 4.417 4.120 -0.000 0.000 0.307 78 V C 0.662 176.748 176.094 -0.015 0.000 1.052 78 V CA -0.580 61.712 62.300 -0.013 0.000 0.967 78 V CB 1.654 33.460 31.823 -0.027 0.000 1.019 78 V HN 0.150 nan 8.190 nan 0.000 0.459 79 E N 1.883 122.059 120.200 -0.040 0.000 2.276 79 E HA 0.251 4.601 4.350 -0.000 0.000 0.193 79 E C 0.133 176.690 176.600 -0.073 0.000 0.983 79 E CA 0.145 56.526 56.400 -0.033 0.000 0.861 79 E CB 0.313 29.994 29.700 -0.032 0.000 0.817 79 E HN 0.644 nan 8.360 nan 0.000 0.485 80 L N 2.799 123.899 121.223 -0.204 0.000 2.385 80 L HA 0.197 4.537 4.340 -0.000 0.000 0.285 80 L C -0.127 176.717 176.870 -0.043 0.000 1.125 80 L CA 0.215 54.821 54.840 -0.390 0.000 0.890 80 L CB 0.021 41.696 42.059 -0.640 0.000 1.251 80 L HN -0.160 nan 8.230 nan 0.000 0.445 81 K N 1.786 122.305 120.400 0.198 0.000 2.422 81 K HA 0.529 4.849 4.320 -0.000 0.000 0.251 81 K C -0.826 175.950 176.600 0.292 0.000 0.933 81 K CA -0.731 55.672 56.287 0.193 0.000 0.798 81 K CB 2.622 35.197 32.500 0.124 0.000 1.238 81 K HN 0.252 nan 8.250 nan 0.000 0.428 82 S N 0.678 116.489 115.700 0.185 0.000 2.616 82 S HA 0.383 4.852 4.470 -0.000 0.000 0.277 82 S C -0.319 174.316 174.600 0.058 0.000 1.234 82 S CA -0.445 57.828 58.200 0.122 0.000 1.028 82 S CB 1.347 64.598 63.200 0.084 0.000 0.988 82 S HN 0.433 nan 8.310 nan 0.000 0.522 83 T N 2.410 116.974 114.554 0.017 0.000 2.855 83 T HA 0.291 4.641 4.350 -0.000 0.000 0.281 83 T C -0.265 174.422 174.700 -0.022 0.000 1.007 83 T CA -0.515 61.585 62.100 -0.001 0.000 1.009 83 T CB 1.323 70.185 68.868 -0.011 0.000 0.983 83 T HN 0.482 nan 8.240 nan 0.000 0.455 84 Q N 2.589 122.374 119.800 -0.024 0.000 2.239 84 Q HA 0.142 4.482 4.340 -0.000 0.000 0.286 84 Q C -0.653 175.322 176.000 -0.042 0.000 1.102 84 Q CA 0.512 56.293 55.803 -0.037 0.000 0.936 84 Q CB 0.212 28.930 28.738 -0.034 0.000 1.127 84 Q HN 0.446 nan 8.270 nan 0.000 0.380 85 Q N 3.101 122.869 119.800 -0.053 0.000 2.650 85 Q HA 0.260 4.600 4.340 -0.000 0.000 0.239 85 Q C -1.679 174.283 176.000 -0.063 0.000 0.893 85 Q CA -0.373 55.397 55.803 -0.055 0.000 0.755 85 Q CB 0.863 29.565 28.738 -0.060 0.000 1.349 85 Q HN 0.573 nan 8.270 nan 0.000 0.461 86 K N 1.527 121.894 120.400 -0.056 0.000 2.382 86 K HA 0.477 4.796 4.320 -0.000 0.000 0.275 86 K C -0.814 175.754 176.600 -0.052 0.000 1.009 86 K CA 0.192 56.445 56.287 -0.057 0.000 0.970 86 K CB 0.539 33.010 32.500 -0.048 0.000 0.934 86 K HN 0.626 nan 8.250 nan 0.000 0.479 87 S N 3.721 119.388 115.700 -0.055 0.000 2.521 87 S HA 0.510 4.980 4.470 -0.000 0.000 0.295 87 S C -0.664 173.914 174.600 -0.037 0.000 1.098 87 S CA -0.779 57.392 58.200 -0.048 0.000 0.999 87 S CB 0.984 64.149 63.200 -0.057 0.000 1.034 87 S HN 0.490 nan 8.310 nan 0.000 0.483 88 I N 3.056 123.608 120.570 -0.029 0.000 2.389 88 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 88 I C -0.939 175.167 176.117 -0.018 0.000 0.999 88 I CA -0.635 60.653 61.300 -0.020 0.000 1.129 88 I CB 1.304 39.295 38.000 -0.015 0.000 1.288 88 I HN 0.337 nan 8.210 nan 0.000 0.444 89 L N 6.920 128.134 121.223 -0.015 0.000 2.265 89 L HA 0.547 4.887 4.340 -0.000 0.000 0.288 89 L C 0.151 177.016 176.870 -0.008 0.000 1.058 89 L CA -0.446 54.386 54.840 -0.013 0.000 0.809 89 L CB 0.630 42.682 42.059 -0.012 0.000 1.179 89 L HN 0.576 nan 8.230 nan 0.000 0.429 90 R N 1.789 122.285 120.500 -0.008 0.000 2.902 90 R HA 0.589 4.929 4.340 -0.000 0.000 0.258 90 R C -0.917 175.380 176.300 -0.004 0.000 1.071 90 R CA -1.119 54.978 56.100 -0.005 0.000 1.024 90 R CB 2.299 32.596 30.300 -0.006 0.000 1.184 90 R HN 0.242 nan 8.270 nan 0.000 0.492 91 V N 1.376 121.289 119.914 -0.003 0.000 2.655 91 V HA 0.292 4.412 4.120 -0.000 0.000 0.300 91 V C 0.933 177.025 176.094 -0.003 0.000 1.044 91 V CA 1.455 63.753 62.300 -0.002 0.000 1.095 91 V CB 0.808 32.630 31.823 -0.002 0.000 0.952 91 V HN 1.100 nan 8.190 nan 0.000 0.485 92 G N 3.288 112.087 108.800 -0.002 0.000 2.570 92 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.072 92 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.072 92 G C 0.790 175.690 174.900 0.000 0.000 1.030 92 G CA 0.365 45.465 45.100 -0.001 0.000 1.277 92 G HN 0.425 nan 8.290 nan 0.000 0.559 93 T N 1.438 115.993 114.554 0.002 0.000 2.699 93 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 93 T C 1.249 175.951 174.700 0.003 0.000 1.036 93 T CA 1.102 63.205 62.100 0.005 0.000 1.147 93 T CB -0.385 68.487 68.868 0.008 0.000 0.862 93 T HN 0.207 nan 8.240 nan 0.000 0.446 94 L N 2.342 123.565 121.223 -0.000 0.000 2.326 94 L HA 0.296 4.636 4.340 -0.000 0.000 0.278 94 L C 1.071 177.940 176.870 -0.001 0.000 1.092 94 L CA -0.863 53.977 54.840 -0.001 0.000 0.810 94 L CB 0.958 43.016 42.059 -0.002 0.000 1.153 94 L HN 0.222 nan 8.230 nan 0.000 0.439 95 T N -1.298 113.255 114.554 -0.001 0.000 2.788 95 T HA 0.058 4.408 4.350 -0.000 0.000 0.287 95 T C 1.221 175.920 174.700 -0.001 0.000 1.007 95 T CA -0.322 61.777 62.100 -0.002 0.000 1.005 95 T CB 1.446 70.312 68.868 -0.003 0.000 1.012 95 T HN 0.538 nan 8.240 nan 0.000 0.530 96 S N -0.094 115.605 115.700 -0.001 0.000 2.365 96 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 96 S C 1.710 176.311 174.600 0.000 0.000 1.039 96 S CA 2.020 60.220 58.200 -0.001 0.000 1.033 96 S CB -0.928 62.272 63.200 -0.002 0.000 0.887 96 S HN 0.927 nan 8.310 nan 0.000 0.447 97 D N 0.466 120.866 120.400 -0.001 0.000 2.117 97 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 97 D C 1.569 177.870 176.300 0.002 0.000 0.982 97 D CA 1.343 55.343 54.000 -0.001 0.000 0.828 97 D CB -0.298 40.500 40.800 -0.004 0.000 0.967 97 D HN 0.302 nan 8.370 nan 0.000 0.464 98 D N -0.111 120.290 120.400 0.001 0.000 2.116 98 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 98 D C 2.245 178.552 176.300 0.011 0.000 0.998 98 D CA 0.685 54.688 54.000 0.004 0.000 0.836 98 D CB -0.322 40.479 40.800 0.001 0.000 0.951 98 D HN 0.329 nan 8.370 nan 0.000 0.449 99 L N 0.174 121.402 121.223 0.008 0.000 2.046 99 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 99 L C 2.590 179.469 176.870 0.015 0.000 1.077 99 L CA 0.605 55.452 54.840 0.010 0.000 0.747 99 L CB -0.414 41.648 42.059 0.006 0.000 0.896 99 L HN 0.066 nan 8.230 nan 0.000 0.432 100 L N -0.385 120.845 121.223 0.012 0.000 2.046 100 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 100 L C 2.496 179.380 176.870 0.023 0.000 1.077 100 L CA 1.415 56.263 54.840 0.015 0.000 0.747 100 L CB -0.432 41.633 42.059 0.009 0.000 0.896 100 L HN 0.210 nan 8.230 nan 0.000 0.432 101 I N -0.416 120.169 120.570 0.025 0.000 2.202 101 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 101 I C 2.416 178.570 176.117 0.061 0.000 1.091 101 I CA 1.300 62.624 61.300 0.040 0.000 1.368 101 I CB -0.188 37.831 38.000 0.031 0.000 1.058 101 I HN 0.180 nan 8.210 nan 0.000 0.410 102 L N 0.352 121.607 121.223 0.054 0.000 2.046 102 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 102 L C 2.843 179.742 176.870 0.048 0.000 1.077 102 L CA 1.281 56.156 54.840 0.060 0.000 0.747 102 L CB -0.756 41.328 42.059 0.041 0.000 0.896 102 L HN 0.240 nan 8.230 nan 0.000 0.432 103 A N 0.155 122.997 122.820 0.036 0.000 1.883 103 A HA -0.232 4.087 4.320 -0.000 0.000 0.217 103 A C 2.528 180.132 177.584 0.033 0.000 1.186 103 A CA 2.024 54.080 52.037 0.031 0.000 0.624 103 A CB -0.806 18.208 19.000 0.023 0.000 0.822 103 A HN 0.411 nan 8.150 nan 0.000 0.444 104 A N -0.401 122.442 122.820 0.039 0.000 1.898 104 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 104 A C 1.797 179.414 177.584 0.055 0.000 1.181 104 A CA 1.889 53.952 52.037 0.043 0.000 0.620 104 A CB -0.555 18.472 19.000 0.046 0.000 0.819 104 A HN 0.445 nan 8.150 nan 0.000 0.442 105 D N -0.042 120.403 120.400 0.075 0.000 2.144 105 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 105 D C 1.913 178.233 176.300 0.034 0.000 0.978 105 D CA 0.801 54.852 54.000 0.085 0.000 0.833 105 D CB -0.259 40.633 40.800 0.154 0.000 0.961 105 D HN 0.436 nan 8.370 nan 0.000 0.470 106 L N 0.668 121.911 121.223 0.033 0.000 2.093 106 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 106 L C 2.246 179.110 176.870 -0.010 0.000 1.085 106 L CA 1.004 55.868 54.840 0.040 0.000 0.755 106 L CB -0.285 41.814 42.059 0.068 0.000 0.904 106 L HN 0.012 nan 8.230 nan 0.000 0.435 107 E N 0.284 120.470 120.200 -0.023 0.000 2.051 107 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 107 E C 2.178 178.720 176.600 -0.097 0.000 0.991 107 E CA 1.258 57.612 56.400 -0.076 0.000 0.799 107 E CB 0.012 29.691 29.700 -0.034 0.000 0.748 107 E HN 0.424 nan 8.360 nan 0.000 0.449 108 K N 0.337 120.721 120.400 -0.025 0.000 2.097 108 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 108 K C 2.186 178.768 176.600 -0.030 0.000 1.050 108 K CA 0.576 56.863 56.287 0.001 0.000 0.938 108 K CB -0.105 32.441 32.500 0.076 0.000 0.718 108 K HN 0.022 nan 8.250 nan 0.000 0.442 109 L N 2.161 123.370 121.223 -0.025 0.000 2.017 109 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 109 L C 2.246 179.063 176.870 -0.089 0.000 1.073 109 L CA 1.803 56.650 54.840 0.011 0.000 0.745 109 L CB -0.409 41.700 42.059 0.084 0.000 0.894 109 L HN 0.029 nan 8.230 nan 0.000 0.432 110 K N -1.101 119.082 120.400 -0.362 0.000 2.034 110 K HA -0.268 4.052 4.320 -0.000 0.000 0.214 110 K C 2.352 178.578 176.600 -0.623 0.000 1.051 110 K CA 2.050 57.689 56.287 -1.080 0.000 0.931 110 K CB -0.474 31.295 32.500 -1.219 0.000 0.715 110 K HN 0.435 nan 8.250 nan 0.000 0.446 111 S N 0.452 115.943 115.700 -0.349 0.000 2.356 111 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 111 S C 2.007 176.526 174.600 -0.134 0.000 1.032 111 S CA 1.548 59.617 58.200 -0.218 0.000 1.005 111 S CB -0.255 62.847 63.200 -0.164 0.000 0.867 111 S HN 0.350 nan 8.310 nan 0.000 0.449 112 K N 0.459 120.809 120.400 -0.083 0.000 2.057 112 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 112 K C 2.023 178.617 176.600 -0.010 0.000 1.049 112 K CA 1.656 57.930 56.287 -0.022 0.000 0.931 112 K CB -0.418 32.094 32.500 0.021 0.000 0.714 112 K HN 0.355 nan 8.250 nan 0.000 0.440 113 V N 1.784 121.705 119.914 0.012 0.000 2.307 113 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 113 V C 2.400 178.540 176.094 0.076 0.000 1.045 113 V CA 1.556 63.902 62.300 0.076 0.000 1.024 113 V CB -0.294 31.695 31.823 0.277 0.000 0.651 113 V HN 0.295 nan 8.190 nan 0.000 0.449 114 I N -0.334 120.258 120.570 0.037 0.000 2.208 114 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 114 I C 2.728 178.850 176.117 0.009 0.000 1.097 114 I CA 1.624 62.950 61.300 0.043 0.000 1.363 114 I CB -0.428 37.558 38.000 -0.024 0.000 1.051 114 I HN 0.234 nan 8.210 nan 0.000 0.413 115 R N -0.147 120.340 120.500 -0.023 0.000 2.189 115 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 115 R C 2.165 178.459 176.300 -0.010 0.000 1.092 115 R CA 1.488 57.575 56.100 -0.022 0.000 0.989 115 R CB -0.378 29.898 30.300 -0.039 0.000 0.876 115 R HN 0.382 nan 8.270 nan 0.000 0.457 116 T N 0.504 115.055 114.554 -0.005 0.000 2.894 116 T HA -0.035 4.315 4.350 -0.000 0.000 0.258 116 T C 1.472 176.165 174.700 -0.011 0.000 1.043 116 T CA 1.022 63.116 62.100 -0.010 0.000 1.141 116 T CB 0.130 68.988 68.868 -0.016 0.000 0.873 116 T HN 0.343 nan 8.240 nan 0.000 0.449 117 E N 0.365 120.565 120.200 0.000 0.000 2.201 117 E HA 0.156 4.506 4.350 -0.000 0.000 0.193 117 E C 2.342 178.955 176.600 0.021 0.000 0.957 117 E CA -0.023 56.375 56.400 -0.004 0.000 0.858 117 E CB 0.094 29.790 29.700 -0.006 0.000 0.816 117 E HN 0.186 nan 8.360 nan 0.000 0.475 118 R N 1.140 121.663 120.500 0.038 0.000 2.096 118 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 118 R C -0.763 175.565 176.300 0.045 0.000 1.127 118 R CA 1.387 57.516 56.100 0.049 0.000 0.968 118 R CB -0.691 29.639 30.300 0.050 0.000 0.861 118 R HN 0.051 nan 8.270 nan 0.000 0.440 119 P HA -0.137 nan 4.420 nan 0.000 0.219 119 P C 0.887 178.216 177.300 0.048 0.000 1.146 119 P CA 1.106 64.225 63.100 0.033 0.000 0.808 119 P CB -0.052 31.658 31.700 0.017 0.000 0.779 120 L N -0.660 120.597 121.223 0.057 0.000 2.081 120 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 120 L C 2.386 179.356 176.870 0.167 0.000 1.080 120 L CA 2.266 57.166 54.840 0.100 0.000 0.754 120 L CB -1.079 41.061 42.059 0.135 0.000 0.893 120 L HN 0.184 nan 8.230 nan 0.000 0.433 121 S N -1.377 114.419 115.700 0.159 0.000 2.506 121 S HA 0.169 4.639 4.470 -0.000 0.000 0.230 121 S C 2.086 176.755 174.600 0.115 0.000 1.066 121 S CA 0.247 58.553 58.200 0.176 0.000 0.940 121 S CB -0.045 63.252 63.200 0.161 0.000 0.818 121 S HN 0.245 nan 8.310 nan 0.000 0.518 122 A N 1.977 124.846 122.820 0.081 0.000 1.898 122 A HA 0.500 4.820 4.320 -0.000 0.000 0.216 122 A C 1.557 179.174 177.584 0.055 0.000 1.181 122 A CA 1.028 53.100 52.037 0.058 0.000 0.620 122 A CB -1.395 17.627 19.000 0.037 0.000 0.819 122 A HN 1.744 nan 8.150 nan 0.000 0.442 123 G N -2.852 105.981 108.800 0.054 0.000 2.699 123 G HA2 0.153 4.113 3.960 -0.000 0.000 0.686 123 G HA3 0.153 4.113 3.960 -0.000 0.000 0.686 123 G C -0.798 174.132 174.900 0.049 0.000 1.301 123 G CA -0.440 44.690 45.100 0.050 0.000 0.816 123 G HN 1.126 nan 8.290 nan 0.000 0.595 124 V N 1.330 121.273 119.914 0.048 0.000 2.577 124 V HA 0.494 4.614 4.120 -0.000 0.000 0.303 124 V C -0.053 176.091 176.094 0.084 0.000 1.042 124 V CA -0.910 61.426 62.300 0.060 0.000 0.872 124 V CB 1.695 33.535 31.823 0.028 0.000 0.998 124 V HN 1.060 nan 8.190 nan 0.000 0.423 125 Y N 5.995 126.291 120.300 -0.006 0.000 2.632 125 Y HA 0.229 4.779 4.550 -0.000 0.000 0.329 125 Y C 0.725 176.620 175.900 -0.008 0.000 1.174 125 Y CA 0.219 58.316 58.100 -0.006 0.000 1.469 125 Y CB 0.716 39.172 38.460 -0.007 0.000 1.242 125 Y HN 0.560 nan 8.280 nan 0.000 0.540 126 M N 6.445 125.690 119.600 -0.590 0.000 3.017 126 M HA 0.225 4.705 4.480 -0.000 0.000 0.423 126 M C 0.681 176.631 176.300 -0.583 0.000 1.395 126 M CA -0.005 55.034 55.300 -0.434 0.000 0.816 126 M CB 0.158 32.630 32.600 -0.214 0.000 1.440 126 M HN 0.850 nan 8.290 nan 0.000 0.506 127 G N 1.499 109.573 108.800 -1.209 0.000 3.311 127 G HA2 0.009 3.969 3.960 -0.000 0.000 0.169 127 G HA3 0.009 3.969 3.960 -0.000 0.000 0.169 127 G C 0.215 174.957 174.900 -0.264 0.000 1.852 127 G CA -0.056 44.607 45.100 -0.728 0.000 1.010 127 G HN 0.427 nan 8.290 nan 0.000 0.530 128 N N 0.509 119.226 118.700 0.029 0.000 2.508 128 N HA 0.344 5.084 4.740 -0.000 0.000 0.253 128 N C -0.693 174.908 175.510 0.152 0.000 1.145 128 N CA 0.035 53.144 53.050 0.097 0.000 0.973 128 N CB -0.447 38.112 38.487 0.120 0.000 1.305 128 N HN 0.250 nan 8.380 nan 0.000 0.506 129 L N 0.497 121.763 121.223 0.071 0.000 2.341 129 L HA 0.519 4.859 4.340 -0.000 0.000 0.254 129 L C 0.337 177.225 176.870 0.031 0.000 1.040 129 L CA -1.260 53.624 54.840 0.073 0.000 0.837 129 L CB 1.774 43.870 42.059 0.062 0.000 1.425 129 L HN 0.396 nan 8.230 nan 0.000 0.414 130 S N -0.839 114.877 115.700 0.027 0.000 2.584 130 S HA 0.024 4.494 4.470 -0.000 0.000 0.270 130 S C 1.196 175.799 174.600 0.005 0.000 1.346 130 S CA -0.027 58.181 58.200 0.013 0.000 1.018 130 S CB 1.262 64.469 63.200 0.013 0.000 0.899 130 S HN 0.786 nan 8.310 nan 0.000 0.542 131 S N 1.515 117.215 115.700 0.000 0.000 2.383 131 S HA -0.248 4.222 4.470 -0.000 0.000 0.229 131 S C 1.724 176.322 174.600 -0.003 0.000 1.030 131 S CA 1.324 59.522 58.200 -0.004 0.000 1.002 131 S CB -0.826 62.371 63.200 -0.005 0.000 0.829 131 S HN 0.804 nan 8.310 nan 0.000 0.467 132 Q N 0.916 120.717 119.800 0.001 0.000 2.020 132 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 132 Q C 2.678 178.680 176.000 0.004 0.000 0.982 132 Q CA 1.752 57.556 55.803 0.002 0.000 0.838 132 Q CB -0.316 28.424 28.738 0.004 0.000 0.899 132 Q HN 0.724 nan 8.270 nan 0.000 0.423 133 Q N 0.339 120.144 119.800 0.008 0.000 2.096 133 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 133 Q C 2.222 178.225 176.000 0.005 0.000 0.982 133 Q CA 1.119 56.930 55.803 0.012 0.000 0.850 133 Q CB -0.134 28.620 28.738 0.026 0.000 0.901 133 Q HN 0.369 nan 8.270 nan 0.000 0.422 134 L N 0.614 121.835 121.223 -0.005 0.000 2.046 134 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 134 L C 1.863 178.723 176.870 -0.017 0.000 1.077 134 L CA 0.942 55.770 54.840 -0.020 0.000 0.747 134 L CB -0.384 41.657 42.059 -0.031 0.000 0.896 134 L HN 0.211 nan 8.230 nan 0.000 0.432 135 D N -0.304 120.090 120.400 -0.011 0.000 2.097 135 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 135 D C 2.287 178.583 176.300 -0.007 0.000 0.989 135 D CA 1.148 55.142 54.000 -0.009 0.000 0.827 135 D CB -0.181 40.616 40.800 -0.006 0.000 0.966 135 D HN 0.379 nan 8.370 nan 0.000 0.456 136 Q N 0.100 119.898 119.800 -0.003 0.000 2.096 136 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 136 Q C 2.286 178.285 176.000 -0.002 0.000 0.982 136 Q CA 1.101 56.904 55.803 0.000 0.000 0.850 136 Q CB -0.006 28.734 28.738 0.004 0.000 0.901 136 Q HN 0.259 nan 8.270 nan 0.000 0.422 137 R N 0.007 120.505 120.500 -0.004 0.000 2.119 137 R HA 0.001 4.341 4.340 -0.000 0.000 0.222 137 R C 2.263 178.556 176.300 -0.012 0.000 1.088 137 R CA 0.647 56.744 56.100 -0.005 0.000 0.984 137 R CB -0.043 30.255 30.300 -0.004 0.000 0.884 137 R HN 0.137 nan 8.270 nan 0.000 0.447 138 R N 0.478 120.968 120.500 -0.017 0.000 2.096 138 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 138 R C 2.316 178.608 176.300 -0.014 0.000 1.127 138 R CA 1.397 57.486 56.100 -0.019 0.000 0.968 138 R CB -0.336 29.951 30.300 -0.021 0.000 0.861 138 R HN 0.191 nan 8.270 nan 0.000 0.440 139 A N 1.260 124.075 122.820 -0.009 0.000 1.902 139 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 139 A C 2.086 179.667 177.584 -0.006 0.000 1.181 139 A CA 1.173 53.206 52.037 -0.006 0.000 0.623 139 A CB -0.477 18.522 19.000 -0.002 0.000 0.818 139 A HN 0.265 nan 8.150 nan 0.000 0.443 140 L N -0.164 121.055 121.223 -0.005 0.000 1.994 140 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 140 L C 2.314 179.178 176.870 -0.009 0.000 1.071 140 L CA 1.788 56.625 54.840 -0.005 0.000 0.745 140 L CB -0.496 41.560 42.059 -0.004 0.000 0.892 140 L HN 0.401 nan 8.230 nan 0.000 0.431 141 L N -0.140 121.076 121.223 -0.012 0.000 2.042 141 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 141 L C 2.365 179.225 176.870 -0.017 0.000 1.076 141 L CA 1.352 56.182 54.840 -0.016 0.000 0.749 141 L CB -0.906 41.141 42.059 -0.020 0.000 0.893 141 L HN 0.412 nan 8.230 nan 0.000 0.432 142 N N -0.238 118.453 118.700 -0.015 0.000 2.120 142 N HA -0.196 4.543 4.740 -0.000 0.000 0.188 142 N C 1.831 177.333 175.510 -0.013 0.000 1.024 142 N CA 1.369 54.410 53.050 -0.015 0.000 0.852 142 N CB -0.211 38.269 38.487 -0.012 0.000 1.003 142 N HN 0.319 nan 8.380 nan 0.000 0.424 143 M N 0.646 120.240 119.600 -0.011 0.000 2.319 143 M HA 0.038 4.518 4.480 -0.000 0.000 0.265 143 M C 1.344 177.636 176.300 -0.013 0.000 1.068 143 M CA 1.077 56.371 55.300 -0.009 0.000 1.118 143 M CB 0.119 32.717 32.600 -0.004 0.000 1.395 143 M HN 0.127 nan 8.290 nan 0.000 0.435 144 I N -3.756 116.805 120.570 -0.015 0.000 3.861 144 I HA 0.394 4.564 4.170 -0.000 0.000 0.329 144 I C 0.890 176.992 176.117 -0.025 0.000 1.321 144 I CA 0.427 61.715 61.300 -0.019 0.000 1.126 144 I CB -0.547 37.443 38.000 -0.017 0.000 1.018 144 I HN 0.386 nan 8.210 nan 0.000 0.407 145 G N 1.764 110.550 108.800 -0.023 0.000 2.160 145 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 145 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 145 G C -0.020 174.861 174.900 -0.032 0.000 1.022 145 G CA 0.446 45.531 45.100 -0.026 0.000 0.741 145 G HN 0.455 nan 8.290 nan 0.000 0.508 159 G N 0.259 109.075 108.800 0.027 0.000 2.205 159 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.261 159 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.261 159 G C 0.190 175.010 174.900 -0.133 0.000 0.980 159 G CA 0.379 45.408 45.100 -0.117 0.000 0.632 159 G HN 0.584 nan 8.290 nan 0.000 0.533 160 V N 1.520 121.456 119.914 0.038 0.000 2.461 160 V HA 0.494 4.614 4.120 -0.000 0.000 0.275 160 V C 0.795 176.893 176.094 0.005 0.000 1.047 160 V CA -0.544 61.790 62.300 0.056 0.000 0.955 160 V CB 1.732 33.625 31.823 0.117 0.000 0.988 160 V HN 0.242 nan 8.190 nan 0.000 0.471 161 V N 7.553 127.460 119.914 -0.012 0.000 2.385 161 V HA 0.552 4.672 4.120 -0.000 0.000 0.269 161 V C 0.263 176.357 176.094 -0.000 0.000 1.043 161 V CA -0.379 61.910 62.300 -0.020 0.000 0.906 161 V CB 0.836 32.637 31.823 -0.037 0.000 0.995 161 V HN 1.042 nan 8.190 nan 0.000 0.467 162 R N 3.343 123.841 120.500 -0.003 0.000 2.707 162 R HA 0.695 5.035 4.340 -0.000 0.000 0.272 162 R C -0.855 175.428 176.300 -0.030 0.000 1.011 162 R CA -0.840 55.266 56.100 0.010 0.000 0.893 162 R CB 1.839 32.168 30.300 0.048 0.000 1.233 162 R HN 0.153 nan 8.270 nan 0.000 0.464 163 V N -0.022 119.864 119.914 -0.047 0.000 2.575 163 V HA 0.137 4.257 4.120 -0.000 0.000 0.242 163 V C -0.116 175.798 176.094 -0.301 0.000 1.045 163 V CA 0.585 62.764 62.300 -0.202 0.000 1.065 163 V CB -0.129 31.545 31.823 -0.248 0.000 0.717 163 V HN 0.601 nan 8.190 nan 0.000 0.467 164 W N 0.694 122.005 121.300 0.017 0.000 2.329 164 W HA 0.478 5.137 4.660 -0.000 0.000 0.312 164 W C -0.601 175.942 176.519 0.041 0.000 1.054 164 W CA -0.488 56.882 57.345 0.040 0.000 1.245 164 W CB 0.903 30.397 29.460 0.057 0.000 1.255 164 W HN -0.030 nan 8.180 nan 0.000 0.436 165 D N 4.238 124.789 120.400 0.252 0.000 2.467 165 D HA 0.344 4.983 4.640 -0.000 0.000 0.220 165 D C -0.945 175.476 176.300 0.201 0.000 1.103 165 D CA -0.202 53.906 54.000 0.180 0.000 0.886 165 D CB 0.519 41.384 40.800 0.108 0.000 1.025 165 D HN 0.151 nan 8.370 nan 0.000 0.514 166 V N 1.262 121.290 119.914 0.190 0.000 2.962 166 V HA 0.506 4.626 4.120 -0.000 0.000 0.313 166 V C 1.121 177.283 176.094 0.115 0.000 1.099 166 V CA -0.987 61.407 62.300 0.157 0.000 0.971 166 V CB 2.011 33.925 31.823 0.152 0.000 1.028 166 V HN 0.303 nan 8.190 nan 0.000 0.430 167 K N 1.634 122.091 120.400 0.094 0.000 2.116 167 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 167 K C 0.574 177.223 176.600 0.082 0.000 1.052 167 K CA 1.442 57.781 56.287 0.087 0.000 0.952 167 K CB 0.109 32.653 32.500 0.074 0.000 0.729 167 K HN 0.837 nan 8.250 nan 0.000 0.446 168 N N -0.247 118.491 118.700 0.064 0.000 2.576 168 N HA 0.214 4.953 4.740 -0.000 0.000 0.269 168 N C -0.406 175.123 175.510 0.033 0.000 1.058 168 N CA -0.093 52.988 53.050 0.052 0.000 0.860 168 N CB 1.726 40.236 38.487 0.039 0.000 1.249 168 N HN 0.156 nan 8.380 nan 0.000 0.525 169 A N 2.787 125.633 122.820 0.044 0.000 2.121 169 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 169 A C 1.550 179.137 177.584 0.005 0.000 1.154 169 A CA 1.031 53.083 52.037 0.025 0.000 0.679 169 A CB -0.264 18.767 19.000 0.052 0.000 0.795 169 A HN 0.792 nan 8.150 nan 0.000 0.458 170 E N -0.164 120.045 120.200 0.015 0.000 2.265 170 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 170 E C 1.333 177.916 176.600 -0.027 0.000 0.996 170 E CA 0.609 57.011 56.400 0.003 0.000 0.832 170 E CB -0.234 29.472 29.700 0.011 0.000 0.756 170 E HN 0.655 nan 8.360 nan 0.000 0.491 171 L N 0.483 121.680 121.223 -0.043 0.000 2.551 171 L HA -0.077 4.263 4.340 -0.000 0.000 0.228 171 L C 1.868 178.660 176.870 -0.131 0.000 1.153 171 L CA 0.279 55.072 54.840 -0.078 0.000 0.851 171 L CB -0.100 41.916 42.059 -0.072 0.000 0.959 171 L HN 0.190 nan 8.230 nan 0.000 0.451 172 L N -0.945 120.207 121.223 -0.118 0.000 2.395 172 L HA -0.014 4.326 4.340 -0.000 0.000 0.218 172 L C 0.588 177.464 176.870 0.009 0.000 1.130 172 L CA -0.042 54.742 54.840 -0.094 0.000 0.826 172 L CB -0.388 41.619 42.059 -0.088 0.000 0.941 172 L HN 0.256 nan 8.230 nan 0.000 0.451 173 N N 1.948 120.637 118.700 -0.018 0.000 2.411 173 N HA -0.068 4.672 4.740 -0.000 0.000 0.261 173 N C 0.361 175.859 175.510 -0.021 0.000 1.248 173 N CA 0.465 53.514 53.050 -0.003 0.000 0.885 173 N CB 0.041 38.511 38.487 -0.028 0.000 1.062 173 N HN 0.132 nan 8.380 nan 0.000 0.471 174 N N 0.717 119.428 118.700 0.017 0.000 2.753 174 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 174 N C -0.180 175.287 175.510 -0.073 0.000 1.097 174 N CA 0.549 53.596 53.050 -0.004 0.000 0.786 174 N CB -0.534 37.940 38.487 -0.021 0.000 1.137 174 N HN 0.631 nan 8.380 nan 0.000 0.566 175 Q N -1.072 118.624 119.800 -0.173 0.000 2.360 175 Q HA 0.236 4.576 4.340 -0.000 0.000 0.202 175 Q C 0.740 176.351 176.000 -0.648 0.000 0.915 175 Q CA 0.404 55.918 55.803 -0.481 0.000 0.943 175 Q CB 0.051 28.342 28.738 -0.745 0.000 1.064 175 Q HN 0.513 nan 8.270 nan 0.000 0.511 176 F N -0.613 119.320 119.950 -0.029 0.000 2.729 176 F HA 0.331 4.858 4.527 -0.000 0.000 0.315 176 F C 1.313 177.091 175.800 -0.038 0.000 1.102 176 F CA -0.704 57.290 58.000 -0.009 0.000 1.204 176 F CB 0.489 39.494 39.000 0.008 0.000 1.052 176 F HN -0.131 nan 8.300 nan 0.000 0.551 177 G N 0.932 109.768 108.800 0.060 0.000 2.544 177 G HA2 0.365 4.325 3.960 -0.000 0.000 0.242 177 G HA3 0.365 4.325 3.960 -0.000 0.000 0.242 177 G C 0.105 174.987 174.900 -0.030 0.000 1.247 177 G CA -0.157 44.956 45.100 0.022 0.000 0.840 177 G HN 0.135 nan 8.290 nan 0.000 0.578 178 T N -0.734 113.812 114.554 -0.014 0.000 2.875 178 T HA 0.626 4.976 4.350 -0.000 0.000 0.284 178 T C -0.075 174.608 174.700 -0.029 0.000 0.995 178 T CA -0.706 61.367 62.100 -0.046 0.000 1.060 178 T CB 1.598 70.458 68.868 -0.013 0.000 0.967 178 T HN 0.455 nan 8.240 nan 0.000 0.476 179 M N 3.399 122.959 119.600 -0.066 0.000 2.326 179 M HA 0.376 4.856 4.480 -0.000 0.000 0.306 179 M C -2.229 174.051 176.300 -0.034 0.000 1.054 179 M CA -2.598 52.677 55.300 -0.041 0.000 0.922 179 M CB 2.567 35.126 32.600 -0.069 0.000 1.632 179 M HN 0.330 nan 8.290 nan 0.000 0.436 180 P HA -0.122 nan 4.420 nan 0.000 0.217 180 P C 1.212 178.507 177.300 -0.008 0.000 1.150 180 P CA 1.521 64.617 63.100 -0.007 0.000 0.832 180 P CB 0.090 31.787 31.700 -0.005 0.000 0.787 181 S N -0.636 115.050 115.700 -0.023 0.000 2.368 181 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 181 S C 1.917 176.532 174.600 0.025 0.000 1.030 181 S CA 1.089 59.285 58.200 -0.007 0.000 0.999 181 S CB -1.620 61.564 63.200 -0.027 0.000 0.844 181 S HN -0.016 nan 8.310 nan 0.000 0.459 182 L N 2.222 123.443 121.223 -0.004 0.000 2.017 182 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 182 L C 2.549 179.440 176.870 0.035 0.000 1.073 182 L CA 2.252 57.092 54.840 0.001 0.000 0.745 182 L CB -1.564 40.419 42.059 -0.127 0.000 0.894 182 L HN 0.339 nan 8.230 nan 0.000 0.432 183 T N -0.139 114.416 114.554 0.002 0.000 2.684 183 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 183 T C 1.805 176.583 174.700 0.129 0.000 1.036 183 T CA 1.715 63.846 62.100 0.052 0.000 1.148 183 T CB -0.429 68.459 68.868 0.033 0.000 0.863 183 T HN 0.270 nan 8.240 nan 0.000 0.436 184 L N 1.447 122.721 121.223 0.084 0.000 2.012 184 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 184 L C 2.612 179.540 176.870 0.096 0.000 1.073 184 L CA 2.044 56.930 54.840 0.077 0.000 0.748 184 L CB -1.151 40.933 42.059 0.042 0.000 0.891 184 L HN 0.235 nan 8.230 nan 0.000 0.431 185 A N -1.584 121.315 122.820 0.130 0.000 1.902 185 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 185 A C 2.371 180.046 177.584 0.152 0.000 1.181 185 A CA 1.858 53.994 52.037 0.166 0.000 0.623 185 A CB -1.399 17.797 19.000 0.327 0.000 0.818 185 A HN 0.631 nan 8.150 nan 0.000 0.443 186 C N -1.023 118.455 119.300 0.297 0.000 2.466 186 C HA 0.068 4.528 4.460 -0.000 0.000 0.278 186 C C 2.605 177.795 174.990 0.334 0.000 1.288 186 C CA 0.697 59.947 59.018 0.387 0.000 1.722 186 C CB -1.488 26.517 27.740 0.441 0.000 2.017 186 C HN 0.623 nan 8.230 nan 0.000 0.488 187 L N 0.605 122.026 121.223 0.330 0.000 2.012 187 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 187 L C 2.738 179.602 176.870 -0.010 0.000 1.073 187 L CA 1.887 56.793 54.840 0.109 0.000 0.748 187 L CB -1.009 41.107 42.059 0.095 0.000 0.891 187 L HN 0.379 nan 8.230 nan 0.000 0.431 188 T N -0.882 113.666 114.554 -0.011 0.000 2.643 188 T HA -0.226 4.124 4.350 -0.000 0.000 0.264 188 T C 1.913 176.535 174.700 -0.129 0.000 1.045 188 T CA 1.676 63.738 62.100 -0.064 0.000 1.155 188 T CB -0.119 68.717 68.868 -0.054 0.000 0.863 188 T HN 0.068 nan 8.240 nan 0.000 0.420 189 K N 1.300 121.553 120.400 -0.245 0.000 2.001 189 K HA 0.016 4.336 4.320 -0.000 0.000 0.208 189 K C 2.331 178.806 176.600 -0.209 0.000 1.048 189 K CA 1.511 57.570 56.287 -0.379 0.000 0.932 189 K CB -0.395 31.497 32.500 -1.014 0.000 0.715 189 K HN 0.357 nan 8.250 nan 0.000 0.437 190 Q N -1.148 118.581 119.800 -0.118 0.000 2.311 190 Q HA 0.053 4.393 4.340 -0.000 0.000 0.203 190 Q C 1.789 177.754 176.000 -0.058 0.000 0.954 190 Q CA 1.148 56.947 55.803 -0.006 0.000 0.885 190 Q CB 0.128 28.970 28.738 0.172 0.000 0.963 190 Q HN 0.500 nan 8.270 nan 0.000 0.471 191 G N -0.095 108.645 108.800 -0.101 0.000 2.777 191 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.211 191 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.211 191 G C 0.134 174.983 174.900 -0.085 0.000 1.149 191 G CA -0.244 44.781 45.100 -0.125 0.000 0.785 191 G HN 0.292 nan 8.290 nan 0.000 0.536 192 Q N -0.984 118.769 119.800 -0.078 0.000 2.464 192 Q HA -0.155 4.185 4.340 -0.000 0.000 0.304 192 Q C -0.265 175.703 176.000 -0.053 0.000 1.401 192 Q CA 0.389 56.154 55.803 -0.063 0.000 0.806 192 Q CB -2.151 26.558 28.738 -0.049 0.000 1.134 192 Q HN 0.668 nan 8.270 nan 0.000 0.411 193 V N -4.001 115.880 119.914 -0.054 0.000 3.126 193 V HA 0.665 4.785 4.120 -0.000 0.000 0.314 193 V C -0.020 176.054 176.094 -0.035 0.000 1.138 193 V CA -1.209 61.068 62.300 -0.038 0.000 1.034 193 V CB 2.276 34.080 31.823 -0.031 0.000 1.075 193 V HN 0.053 nan 8.190 nan 0.000 0.442 194 D N 1.112 121.499 120.400 -0.022 0.000 2.372 194 D HA 0.221 4.861 4.640 -0.000 0.000 0.243 194 D C 0.896 177.188 176.300 -0.013 0.000 1.121 194 D CA -0.074 53.916 54.000 -0.017 0.000 0.898 194 D CB 1.534 42.328 40.800 -0.009 0.000 1.202 194 D HN 0.656 nan 8.370 nan 0.000 0.428 195 L N 3.096 124.311 121.223 -0.013 0.000 2.021 195 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 195 L C 1.549 178.419 176.870 -0.001 0.000 1.074 195 L CA 1.882 56.718 54.840 -0.007 0.000 0.760 195 L CB -0.593 41.465 42.059 -0.002 0.000 0.889 195 L HN 0.316 nan 8.230 nan 0.000 0.433 196 N N 0.042 118.743 118.700 0.001 0.000 2.137 196 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 196 N C 1.485 177.003 175.510 0.014 0.000 1.017 196 N CA 1.668 54.721 53.050 0.006 0.000 0.859 196 N CB -0.498 37.993 38.487 0.006 0.000 1.002 196 N HN 0.487 nan 8.380 nan 0.000 0.428 197 D N 0.169 120.579 120.400 0.016 0.000 2.117 197 D HA -0.016 4.623 4.640 -0.000 0.000 0.198 197 D C 1.845 178.162 176.300 0.028 0.000 0.982 197 D CA 1.265 55.286 54.000 0.034 0.000 0.828 197 D CB -0.425 40.391 40.800 0.026 0.000 0.967 197 D HN 0.259 nan 8.370 nan 0.000 0.464 198 A N 0.492 123.317 122.820 0.007 0.000 1.877 198 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 198 A C 2.466 180.042 177.584 -0.013 0.000 1.186 198 A CA 1.254 53.289 52.037 -0.003 0.000 0.620 198 A CB -0.826 18.174 19.000 0.001 0.000 0.822 198 A HN 0.135 nan 8.150 nan 0.000 0.443 199 V N 0.154 120.063 119.914 -0.008 0.000 2.332 199 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 199 V C 2.739 178.814 176.094 -0.033 0.000 1.055 199 V CA 2.445 64.736 62.300 -0.015 0.000 1.038 199 V CB -0.898 30.921 31.823 -0.007 0.000 0.651 199 V HN 0.783 nan 8.190 nan 0.000 0.450 200 Q N -0.168 119.618 119.800 -0.023 0.000 2.050 200 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 200 Q C 2.285 178.179 176.000 -0.177 0.000 0.980 200 Q CA 2.099 57.880 55.803 -0.036 0.000 0.840 200 Q CB -0.313 28.457 28.738 0.052 0.000 0.898 200 Q HN 0.625 nan 8.270 nan 0.000 0.424 201 A N 0.753 123.445 122.820 -0.214 0.000 1.877 201 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 201 A C 2.078 179.503 177.584 -0.264 0.000 1.186 201 A CA 1.431 53.218 52.037 -0.417 0.000 0.620 201 A CB -0.853 18.045 19.000 -0.169 0.000 0.822 201 A HN 0.463 nan 8.150 nan 0.000 0.443 202 L N -0.739 120.403 121.223 -0.136 0.000 2.083 202 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 202 L C 2.776 179.595 176.870 -0.085 0.000 1.083 202 L CA 1.687 56.472 54.840 -0.092 0.000 0.752 202 L CB -0.940 41.090 42.059 -0.047 0.000 0.899 202 L HN 0.350 nan 8.230 nan 0.000 0.433 203 T N -0.783 113.721 114.554 -0.084 0.000 2.684 203 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 203 T C 1.431 176.090 174.700 -0.069 0.000 1.036 203 T CA 1.658 63.724 62.100 -0.057 0.000 1.148 203 T CB -0.251 68.590 68.868 -0.046 0.000 0.863 203 T HN 0.327 nan 8.240 nan 0.000 0.436 204 D N 0.811 121.133 120.400 -0.129 0.000 2.117 204 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 204 D C 1.977 178.225 176.300 -0.088 0.000 0.987 204 D CA 0.472 54.401 54.000 -0.118 0.000 0.829 204 D CB -0.504 40.170 40.800 -0.211 0.000 0.961 204 D HN 0.172 nan 8.370 nan 0.000 0.460 205 L N 0.838 121.995 121.223 -0.110 0.000 2.046 205 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 205 L C 2.165 179.005 176.870 -0.050 0.000 1.077 205 L CA 1.940 56.723 54.840 -0.095 0.000 0.747 205 L CB -0.958 41.030 42.059 -0.119 0.000 0.896 205 L HN 0.068 nan 8.230 nan 0.000 0.432 206 G N -0.497 108.292 108.800 -0.019 0.000 2.440 206 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 206 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 206 G C 1.612 176.564 174.900 0.086 0.000 1.154 206 G CA 1.118 46.258 45.100 0.066 0.000 0.767 206 G HN 0.440 nan 8.290 nan 0.000 0.552 207 L N 0.406 121.647 121.223 0.030 0.000 2.046 207 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 207 L C 2.779 179.668 176.870 0.032 0.000 1.077 207 L CA 0.365 55.221 54.840 0.026 0.000 0.747 207 L CB -0.367 41.696 42.059 0.007 0.000 0.896 207 L HN 0.108 nan 8.230 nan 0.000 0.432 208 I N -0.768 119.813 120.570 0.018 0.000 2.264 208 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 208 I C 2.432 178.573 176.117 0.039 0.000 1.111 208 I CA 1.649 62.950 61.300 0.003 0.000 1.382 208 I CB -1.183 36.796 38.000 -0.035 0.000 1.060 208 I HN 0.282 nan 8.210 nan 0.000 0.418 209 Y N 2.390 122.634 120.300 -0.093 0.000 2.571 209 Y HA -0.167 4.383 4.550 -0.000 0.000 0.294 209 Y C 2.641 178.596 175.900 0.092 0.000 1.141 209 Y CA 1.341 59.398 58.100 -0.070 0.000 1.308 209 Y CB -0.631 37.772 38.460 -0.094 0.000 1.002 209 Y HN 0.357 nan 8.280 nan 0.000 0.551 210 T N -3.062 111.529 114.554 0.062 0.000 2.962 210 T HA 0.021 4.370 4.350 -0.000 0.000 0.270 210 T C 1.765 176.555 174.700 0.151 0.000 1.088 210 T CA 1.033 63.156 62.100 0.037 0.000 1.127 210 T CB -0.331 68.553 68.868 0.026 0.000 0.883 210 T HN 0.272 nan 8.240 nan 0.000 0.493 211 A N 1.102 123.998 122.820 0.127 0.000 2.211 211 A HA 0.512 4.832 4.320 -0.000 0.000 0.208 211 A C 0.715 178.242 177.584 -0.096 0.000 1.250 211 A CA 0.143 52.250 52.037 0.117 0.000 0.935 211 A CB 0.419 19.443 19.000 0.040 0.000 0.982 211 A HN 0.723 nan 8.150 nan 0.000 0.490 212 K N -2.315 117.775 120.400 -0.516 0.000 2.642 212 K HA 0.369 4.689 4.320 -0.000 0.000 0.290 212 K C -1.650 174.454 176.600 -0.826 0.000 1.006 212 K CA -0.767 54.862 56.287 -1.097 0.000 0.869 212 K CB 0.617 32.864 32.500 -0.422 0.000 1.499 212 K HN -0.049 nan 8.250 nan 0.000 0.403 213 Y N 2.192 122.057 120.300 -0.726 0.000 2.436 213 Y HA 0.254 4.804 4.550 -0.000 0.000 0.343 213 Y C -2.161 173.669 175.900 -0.117 0.000 1.008 213 Y CA -1.348 56.663 58.100 -0.149 0.000 1.241 213 Y CB 0.939 39.402 38.460 0.006 0.000 1.153 213 Y HN 0.435 nan 8.280 nan 0.000 0.521 214 P HA -0.015 nan 4.420 nan 0.000 0.265 214 P C -1.201 176.104 177.300 0.008 0.000 1.193 214 P CA 0.273 63.269 63.100 -0.173 0.000 0.765 214 P CB 0.522 32.053 31.700 -0.282 0.000 0.823 215 N N 0.162 118.877 118.700 0.025 0.000 2.813 215 N HA 0.278 5.018 4.740 -0.000 0.000 0.320 215 N C 0.717 176.245 175.510 0.030 0.000 1.315 215 N CA -0.653 52.435 53.050 0.062 0.000 0.871 215 N CB -0.791 37.725 38.487 0.048 0.000 1.241 215 N HN 0.065 nan 8.380 nan 0.000 0.602 216 T N -0.943 113.629 114.554 0.030 0.000 2.759 216 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 216 T C 1.693 176.399 174.700 0.010 0.000 1.042 216 T CA 1.788 63.900 62.100 0.019 0.000 1.140 216 T CB -0.506 68.373 68.868 0.018 0.000 0.864 216 T HN 0.564 nan 8.240 nan 0.000 0.455 217 S N 0.906 116.610 115.700 0.007 0.000 2.353 217 S HA -0.183 4.287 4.470 -0.000 0.000 0.222 217 S C 1.827 176.427 174.600 -0.001 0.000 1.035 217 S CA 1.474 59.676 58.200 0.003 0.000 1.025 217 S CB -0.594 62.607 63.200 0.002 0.000 0.902 217 S HN 0.414 nan 8.310 nan 0.000 0.440 218 D N 0.863 121.259 120.400 -0.006 0.000 2.097 218 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 218 D C 1.934 178.226 176.300 -0.012 0.000 0.989 218 D CA 0.913 54.905 54.000 -0.014 0.000 0.827 218 D CB -0.537 40.244 40.800 -0.032 0.000 0.966 218 D HN 0.328 nan 8.370 nan 0.000 0.456 219 L N 1.231 122.447 121.223 -0.012 0.000 2.093 219 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 219 L C 1.514 178.385 176.870 0.003 0.000 1.085 219 L CA 1.688 56.523 54.840 -0.009 0.000 0.755 219 L CB -0.356 41.699 42.059 -0.007 0.000 0.904 219 L HN -0.175 nan 8.230 nan 0.000 0.435 220 D N -0.534 119.868 120.400 0.004 0.000 2.104 220 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 220 D C 2.335 178.641 176.300 0.010 0.000 0.994 220 D CA 1.281 55.285 54.000 0.006 0.000 0.830 220 D CB -0.111 40.692 40.800 0.004 0.000 0.959 220 D HN 0.329 nan 8.370 nan 0.000 0.452 221 R N 0.065 120.571 120.500 0.010 0.000 2.081 221 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 221 R C 2.590 178.910 176.300 0.034 0.000 1.131 221 R CA 0.479 56.588 56.100 0.015 0.000 0.960 221 R CB -0.400 29.907 30.300 0.011 0.000 0.856 221 R HN 0.230 nan 8.270 nan 0.000 0.436 222 L N 0.066 121.313 121.223 0.041 0.000 2.042 222 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 222 L C 2.316 179.256 176.870 0.116 0.000 1.076 222 L CA 1.468 56.361 54.840 0.089 0.000 0.749 222 L CB -0.590 41.490 42.059 0.034 0.000 0.893 222 L HN 0.230 nan 8.230 nan 0.000 0.432 223 T N -0.952 113.636 114.554 0.057 0.000 2.833 223 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 223 T C 1.822 176.534 174.700 0.020 0.000 1.054 223 T CA 1.227 63.352 62.100 0.042 0.000 1.135 223 T CB -0.168 68.709 68.868 0.015 0.000 0.869 223 T HN 0.425 nan 8.240 nan 0.000 0.466 224 Q N 0.476 120.281 119.800 0.008 0.000 2.170 224 Q HA -0.048 4.292 4.340 -0.000 0.000 0.203 224 Q C 2.443 178.411 176.000 -0.054 0.000 0.976 224 Q CA 1.431 57.223 55.803 -0.017 0.000 0.858 224 Q CB -0.126 28.604 28.738 -0.013 0.000 0.907 224 Q HN 0.442 nan 8.270 nan 0.000 0.433 225 S N -0.773 114.884 115.700 -0.071 0.000 2.502 225 S HA 0.004 4.474 4.470 -0.000 0.000 0.215 225 S C 0.150 174.439 174.600 -0.519 0.000 1.009 225 S CA -0.365 57.689 58.200 -0.244 0.000 0.908 225 S CB 0.381 63.462 63.200 -0.199 0.000 0.801 225 S HN 0.326 nan 8.310 nan 0.000 0.505 226 H N 0.975 120.032 119.070 -0.022 0.000 2.607 226 H HA 0.293 4.849 4.556 -0.000 0.000 0.248 226 H C -2.531 172.778 175.328 -0.032 0.000 1.355 226 H CA -1.345 54.688 56.048 -0.025 0.000 1.524 226 H CB 1.387 31.134 29.762 -0.024 0.000 1.563 226 H HN 0.254 nan 8.280 nan 0.000 0.509 227 P HA -0.118 nan 4.420 nan 0.000 0.225 227 P C 1.705 178.999 177.300 -0.010 0.000 1.148 227 P CA 0.363 63.461 63.100 -0.003 0.000 0.779 227 P CB 0.363 32.048 31.700 -0.025 0.000 0.780 228 I N -0.483 120.088 120.570 0.002 0.000 2.335 228 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 228 I C 1.781 177.865 176.117 -0.054 0.000 1.129 228 I CA 1.449 62.728 61.300 -0.035 0.000 1.402 228 I CB -0.763 37.225 38.000 -0.021 0.000 1.069 228 I HN -0.141 nan 8.210 nan 0.000 0.424 229 L N 0.871 122.086 121.223 -0.013 0.000 2.456 229 L HA -0.141 4.199 4.340 -0.000 0.000 0.224 229 L C 1.798 178.650 176.870 -0.030 0.000 1.148 229 L CA 1.020 55.848 54.840 -0.020 0.000 0.825 229 L CB -1.138 40.922 42.059 0.003 0.000 0.937 229 L HN 0.469 nan 8.230 nan 0.000 0.450 230 N N -0.007 118.671 118.700 -0.037 0.000 2.520 230 N HA -0.195 4.544 4.740 -0.000 0.000 0.185 230 N C 1.549 177.018 175.510 -0.068 0.000 1.068 230 N CA 1.073 54.100 53.050 -0.040 0.000 0.911 230 N CB -0.354 38.112 38.487 -0.035 0.000 0.961 230 N HN 0.329 nan 8.380 nan 0.000 0.446 231 M N -0.247 119.278 119.600 -0.125 0.000 2.460 231 M HA 0.069 4.549 4.480 -0.000 0.000 0.263 231 M C 0.012 176.249 176.300 -0.105 0.000 1.071 231 M CA 0.660 55.828 55.300 -0.220 0.000 1.096 231 M CB -0.170 32.132 32.600 -0.497 0.000 1.408 231 M HN 0.097 nan 8.290 nan 0.000 0.463 232 I N 1.000 121.555 120.570 -0.025 0.000 2.352 232 I HA 0.041 4.210 4.170 -0.000 0.000 0.290 232 I C -0.003 176.146 176.117 0.053 0.000 1.036 232 I CA -0.446 60.890 61.300 0.061 0.000 1.336 232 I CB 0.492 38.525 38.000 0.054 0.000 1.407 232 I HN -0.107 nan 8.210 nan 0.000 0.497 233 D N 4.834 125.283 120.400 0.082 0.000 2.313 233 D HA 0.133 4.773 4.640 -0.000 0.000 0.239 233 D C 1.016 177.349 176.300 0.055 0.000 1.142 233 D CA -0.192 53.843 54.000 0.060 0.000 0.847 233 D CB 1.254 42.094 40.800 0.067 0.000 1.082 233 D HN 0.535 nan 8.370 nan 0.000 0.480 234 T N 2.792 117.370 114.554 0.040 0.000 2.821 234 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 234 T C 0.780 175.501 174.700 0.036 0.000 1.046 234 T CA 0.726 62.849 62.100 0.039 0.000 1.139 234 T CB 0.111 68.996 68.868 0.029 0.000 0.871 234 T HN 0.250 nan 8.240 nan 0.000 0.454 235 K N 2.575 122.993 120.400 0.029 0.000 2.333 235 K HA 0.438 4.758 4.320 -0.000 0.000 0.241 235 K C -0.409 176.207 176.600 0.026 0.000 1.193 235 K CA 0.001 56.301 56.287 0.023 0.000 1.142 235 K CB 0.284 32.794 32.500 0.016 0.000 1.731 235 K HN 0.377 nan 8.250 nan 0.000 0.344 236 K N -0.104 120.314 120.400 0.030 0.000 2.575 236 K HA 0.135 4.455 4.320 -0.000 0.000 0.255 236 K C -0.977 175.641 176.600 0.030 0.000 0.953 236 K CA -0.210 56.097 56.287 0.033 0.000 0.840 236 K CB 1.463 33.992 32.500 0.048 0.000 1.303 236 K HN 0.179 nan 8.250 nan 0.000 0.438 237 S N 1.120 116.831 115.700 0.018 0.000 2.655 237 S HA 0.115 4.585 4.470 -0.000 0.000 0.265 237 S C 0.807 175.415 174.600 0.014 0.000 1.240 237 S CA 0.056 58.261 58.200 0.009 0.000 0.986 237 S CB 1.245 64.443 63.200 -0.003 0.000 0.985 237 S HN 0.662 nan 8.310 nan 0.000 0.562 238 S N 0.939 116.642 115.700 0.006 0.000 2.660 238 S HA 0.242 4.712 4.470 -0.000 0.000 0.223 238 S C 0.076 174.672 174.600 -0.007 0.000 0.963 238 S CA -0.138 58.067 58.200 0.008 0.000 0.932 238 S CB -0.872 62.331 63.200 0.005 0.000 0.775 238 S HN 0.493 nan 8.310 nan 0.000 0.531 239 L N 1.728 122.943 121.223 -0.014 0.000 2.334 239 L HA 0.490 4.830 4.340 -0.000 0.000 0.276 239 L C 0.437 177.284 176.870 -0.038 0.000 1.014 239 L CA -0.929 53.890 54.840 -0.034 0.000 0.815 239 L CB 0.924 42.962 42.059 -0.035 0.000 1.268 239 L HN 0.112 nan 8.230 nan 0.000 0.428 240 N N 2.093 120.747 118.700 -0.077 0.000 2.740 240 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 240 N C -1.018 174.479 175.510 -0.022 0.000 1.062 240 N CA 1.118 54.117 53.050 -0.085 0.000 0.704 240 N CB -0.827 37.623 38.487 -0.061 0.000 0.968 240 N HN 0.665 nan 8.380 nan 0.000 0.547 241 I N -3.990 116.586 120.570 0.010 0.000 3.239 241 I HA 0.805 4.975 4.170 -0.000 0.000 0.314 241 I C 0.269 176.532 176.117 0.243 0.000 1.126 241 I CA -0.724 60.639 61.300 0.104 0.000 0.973 241 I CB 2.196 40.236 38.000 0.068 0.000 1.252 241 I HN 0.149 nan 8.210 nan 0.000 0.463 242 S N 0.354 116.214 115.700 0.266 0.000 2.709 242 S HA 0.593 5.063 4.470 -0.000 0.000 0.302 242 S C 0.763 175.397 174.600 0.056 0.000 1.127 242 S CA -0.208 58.178 58.200 0.310 0.000 0.905 242 S CB 1.091 64.541 63.200 0.416 0.000 1.151 242 S HN 1.067 nan 8.310 nan 0.000 0.510 243 G N -0.606 108.118 108.800 -0.127 0.000 2.559 243 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.216 243 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.216 243 G C 0.426 174.990 174.900 -0.559 0.000 1.126 243 G CA 0.416 45.296 45.100 -0.366 0.000 0.778 243 G HN 0.731 nan 8.290 nan 0.000 0.543 244 Y N 0.295 120.531 120.300 -0.107 0.000 2.490 244 Y HA 0.194 4.744 4.550 -0.000 0.000 0.281 244 Y C 0.938 176.606 175.900 -0.386 0.000 1.174 244 Y CA -0.524 57.459 58.100 -0.196 0.000 1.295 244 Y CB -0.177 38.225 38.460 -0.097 0.000 1.062 244 Y HN 0.124 nan 8.280 nan 0.000 0.522 245 N N -0.346 118.223 118.700 -0.217 0.000 2.487 245 N HA 0.245 4.985 4.740 -0.000 0.000 0.292 245 N C -1.286 174.022 175.510 -0.338 0.000 1.108 245 N CA -0.642 52.270 53.050 -0.231 0.000 0.956 245 N CB 0.555 39.035 38.487 -0.011 0.000 1.176 245 N HN -0.105 nan 8.380 nan 0.000 0.484 246 F N 1.118 121.108 119.950 0.066 0.000 2.606 246 F HA 0.177 4.704 4.527 -0.000 0.000 0.347 246 F C 0.910 176.731 175.800 0.035 0.000 1.207 246 F CA -0.768 57.259 58.000 0.045 0.000 1.306 246 F CB -0.715 38.311 39.000 0.043 0.000 1.657 246 F HN 0.317 nan 8.300 nan 0.000 0.606 247 S N 0.136 115.910 115.700 0.122 0.000 2.617 247 S HA 0.199 4.669 4.470 -0.000 0.000 0.269 247 S C 1.173 175.829 174.600 0.092 0.000 1.292 247 S CA -0.846 57.413 58.200 0.097 0.000 1.010 247 S CB 1.349 64.586 63.200 0.063 0.000 0.944 247 S HN 0.455 nan 8.310 nan 0.000 0.536 248 L N 2.732 124.004 121.223 0.081 0.000 2.042 248 L HA 0.112 4.452 4.340 -0.000 0.000 0.210 248 L C 2.339 179.242 176.870 0.055 0.000 1.076 248 L CA 2.487 57.365 54.840 0.064 0.000 0.749 248 L CB -1.599 40.514 42.059 0.089 0.000 0.893 248 L HN 0.993 nan 8.230 nan 0.000 0.432 249 G N -1.015 107.844 108.800 0.097 0.000 2.446 249 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 249 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 249 G C 1.610 176.537 174.900 0.045 0.000 1.168 249 G CA 1.000 46.165 45.100 0.108 0.000 0.771 249 G HN 0.659 nan 8.290 nan 0.000 0.551 250 A N 1.043 123.887 122.820 0.039 0.000 1.933 250 A HA 0.268 4.588 4.320 -0.000 0.000 0.218 250 A C 2.815 180.405 177.584 0.010 0.000 1.175 250 A CA 2.296 54.346 52.037 0.022 0.000 0.628 250 A CB -0.748 18.256 19.000 0.007 0.000 0.814 250 A HN 0.815 nan 8.150 nan 0.000 0.444 251 A N -0.616 122.211 122.820 0.011 0.000 1.873 251 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 251 A C 2.229 179.760 177.584 -0.089 0.000 1.186 251 A CA 1.733 53.763 52.037 -0.012 0.000 0.616 251 A CB -0.937 18.063 19.000 -0.001 0.000 0.823 251 A HN 0.376 nan 8.150 nan 0.000 0.442 252 V N 0.355 120.165 119.914 -0.173 0.000 2.343 252 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 252 V C 2.550 178.479 176.094 -0.275 0.000 1.051 252 V CA 2.413 64.487 62.300 -0.375 0.000 1.036 252 V CB -0.659 30.744 31.823 -0.699 0.000 0.654 252 V HN 0.705 nan 8.190 nan 0.000 0.451 253 K N 0.240 120.564 120.400 -0.126 0.000 2.032 253 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 253 K C 2.175 178.780 176.600 0.009 0.000 1.048 253 K CA 1.770 58.054 56.287 -0.005 0.000 0.927 253 K CB -0.354 32.181 32.500 0.058 0.000 0.712 253 K HN 0.430 nan 8.250 nan 0.000 0.441 254 A N 0.681 123.496 122.820 -0.008 0.000 1.877 254 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 254 A C 2.408 179.989 177.584 -0.005 0.000 1.186 254 A CA 1.865 53.901 52.037 -0.001 0.000 0.620 254 A CB -1.319 17.683 19.000 0.004 0.000 0.822 254 A HN 0.562 nan 8.150 nan 0.000 0.443 255 G N -0.434 108.350 108.800 -0.026 0.000 2.442 255 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 255 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 255 G C 1.723 176.644 174.900 0.035 0.000 1.141 255 G CA 1.554 46.644 45.100 -0.018 0.000 0.763 255 G HN 0.823 nan 8.290 nan 0.000 0.554 256 A N 0.035 122.903 122.820 0.080 0.000 1.908 256 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 256 A C 2.536 180.165 177.584 0.074 0.000 1.181 256 A CA 1.807 53.937 52.037 0.155 0.000 0.627 256 A CB -0.985 18.173 19.000 0.264 0.000 0.818 256 A HN 0.435 nan 8.150 nan 0.000 0.445 257 C N -0.642 118.685 119.300 0.045 0.000 2.432 257 C HA -0.030 4.430 4.460 -0.000 0.000 0.282 257 C C 2.576 177.573 174.990 0.011 0.000 1.388 257 C CA 0.915 59.946 59.018 0.021 0.000 1.777 257 C CB -1.063 26.680 27.740 0.005 0.000 1.882 257 C HN 0.552 nan 8.230 nan 0.000 0.520 258 M N 0.382 119.989 119.600 0.011 0.000 2.557 258 M HA 0.061 4.541 4.480 -0.000 0.000 0.259 258 M C 1.780 178.085 176.300 0.008 0.000 1.086 258 M CA 1.027 56.329 55.300 0.003 0.000 1.096 258 M CB -1.020 31.577 32.600 -0.006 0.000 1.424 258 M HN 0.420 nan 8.290 nan 0.000 0.488 259 L N -0.401 120.832 121.223 0.017 0.000 2.240 259 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 259 L C 0.037 176.915 176.870 0.012 0.000 1.106 259 L CA 0.128 54.978 54.840 0.016 0.000 0.793 259 L CB -0.504 41.569 42.059 0.023 0.000 0.927 259 L HN 0.223 nan 8.230 nan 0.000 0.446 260 D N 1.435 121.843 120.400 0.014 0.000 2.740 260 D HA -0.095 4.545 4.640 -0.000 0.000 0.231 260 D C 0.339 176.647 176.300 0.013 0.000 1.194 260 D CA 1.227 55.236 54.000 0.014 0.000 0.673 260 D CB -0.964 39.843 40.800 0.012 0.000 0.995 260 D HN 0.620 nan 8.370 nan 0.000 0.411 261 G N -2.015 106.793 108.800 0.012 0.000 2.324 261 G HA2 0.585 4.545 3.960 -0.000 0.000 0.293 261 G HA3 0.585 4.545 3.960 -0.000 0.000 0.293 261 G C 0.597 175.498 174.900 0.001 0.000 1.297 261 G CA 0.398 45.502 45.100 0.007 0.000 0.853 261 G HN 0.988 nan 8.290 nan 0.000 0.535 262 G N -0.291 108.506 108.800 -0.006 0.000 2.162 262 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.260 262 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.260 262 G C 0.669 175.548 174.900 -0.034 0.000 0.976 262 G CA 0.844 45.933 45.100 -0.019 0.000 0.655 262 G HN 2.186 nan 8.290 nan 0.000 0.533 263 N N -1.127 117.560 118.700 -0.021 0.000 2.727 263 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 263 N C 0.583 176.067 175.510 -0.045 0.000 1.048 263 N CA 1.629 54.666 53.050 -0.022 0.000 0.714 263 N CB -0.945 37.526 38.487 -0.026 0.000 0.959 263 N HN 0.591 nan 8.380 nan 0.000 0.544 264 M N 0.745 120.318 119.600 -0.044 0.000 2.246 264 M HA 0.049 4.529 4.480 -0.000 0.000 0.350 264 M C 1.944 178.189 176.300 -0.091 0.000 1.406 264 M CA 0.122 55.380 55.300 -0.071 0.000 1.089 264 M CB 0.159 32.747 32.600 -0.020 0.000 1.782 264 M HN 0.173 nan 8.290 nan 0.000 0.457 265 L N 2.075 123.198 121.223 -0.166 0.000 2.127 265 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 265 L C 1.671 178.219 176.870 -0.538 0.000 1.089 265 L CA 1.220 55.892 54.840 -0.279 0.000 0.757 265 L CB -0.462 41.406 42.059 -0.318 0.000 0.899 265 L HN 0.633 nan 8.230 nan 0.000 0.434 266 E N -0.393 119.498 120.200 -0.514 0.000 2.267 266 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 266 E C 2.001 178.590 176.600 -0.018 0.000 0.998 266 E CA 1.600 57.781 56.400 -0.366 0.000 0.830 266 E CB -0.258 29.392 29.700 -0.082 0.000 0.751 266 E HN 0.529 nan 8.360 nan 0.000 0.491 267 T N -2.081 112.484 114.554 0.017 0.000 3.107 267 T HA 0.196 4.546 4.350 -0.000 0.000 0.249 267 T C 0.689 175.527 174.700 0.229 0.000 1.096 267 T CA -0.308 61.873 62.100 0.134 0.000 1.012 267 T CB -0.285 68.637 68.868 0.091 0.000 0.977 267 T HN -0.064 nan 8.240 nan 0.000 0.527 268 I N 2.152 122.841 120.570 0.199 0.000 2.618 268 I HA 0.193 4.363 4.170 -0.000 0.000 0.284 268 I C 0.484 176.731 176.117 0.217 0.000 1.146 268 I CA -0.111 61.316 61.300 0.212 0.000 1.425 268 I CB 0.668 38.782 38.000 0.189 0.000 1.383 268 I HN 0.114 nan 8.210 nan 0.000 0.562 269 K N 5.610 126.063 120.400 0.088 0.000 2.164 269 K HA 0.624 4.943 4.320 -0.000 0.000 0.258 269 K C -1.308 175.200 176.600 -0.154 0.000 0.951 269 K CA -0.610 55.545 56.287 -0.221 0.000 0.844 269 K CB 1.646 33.895 32.500 -0.418 0.000 1.099 269 K HN 0.364 nan 8.250 nan 0.000 0.435 270 V N 2.731 122.508 119.914 -0.228 0.000 2.581 270 V HA 0.414 4.534 4.120 -0.000 0.000 0.303 270 V C -0.306 175.674 176.094 -0.191 0.000 1.041 270 V CA -0.610 61.589 62.300 -0.169 0.000 0.907 270 V CB 1.533 33.273 31.823 -0.138 0.000 0.994 270 V HN 0.989 nan 8.190 nan 0.000 0.442 271 S N 3.641 119.262 115.700 -0.132 0.000 2.667 271 S HA 0.622 5.092 4.470 -0.000 0.000 0.292 271 S C -2.449 172.103 174.600 -0.082 0.000 1.126 271 S CA -1.596 56.536 58.200 -0.114 0.000 0.881 271 S CB 2.266 65.411 63.200 -0.090 0.000 1.132 271 S HN 0.368 nan 8.310 nan 0.000 0.492 272 P HA -0.076 nan 4.420 nan 0.000 0.219 272 P C 1.246 178.524 177.300 -0.038 0.000 1.146 272 P CA 1.176 64.245 63.100 -0.053 0.000 0.808 272 P CB 0.088 31.761 31.700 -0.045 0.000 0.779 273 Q N -1.475 118.308 119.800 -0.028 0.000 2.245 273 Q HA -0.018 4.322 4.340 -0.000 0.000 0.201 273 Q C 1.804 177.808 176.000 0.007 0.000 0.955 273 Q CA 1.753 57.551 55.803 -0.008 0.000 0.870 273 Q CB -0.889 27.849 28.738 -0.000 0.000 0.945 273 Q HN 0.391 nan 8.270 nan 0.000 0.461 274 T N -3.175 111.377 114.554 -0.003 0.000 3.014 274 T HA 0.155 4.505 4.350 -0.000 0.000 0.250 274 T C 1.765 176.406 174.700 -0.098 0.000 1.060 274 T CA -0.060 62.047 62.100 0.012 0.000 1.040 274 T CB 0.040 68.956 68.868 0.080 0.000 0.971 274 T HN -0.001 nan 8.240 nan 0.000 0.497 275 M N 1.934 121.476 119.600 -0.097 0.000 2.088 275 M HA -0.198 4.282 4.480 -0.000 0.000 0.256 275 M C 1.253 177.490 176.300 -0.106 0.000 1.071 275 M CA 2.295 57.524 55.300 -0.118 0.000 1.097 275 M CB -0.324 32.223 32.600 -0.089 0.000 1.315 275 M HN 0.096 nan 8.290 nan 0.000 0.406 276 D N -0.221 120.141 120.400 -0.064 0.000 2.144 276 D HA -0.088 4.552 4.640 -0.000 0.000 0.199 276 D C 1.871 178.146 176.300 -0.042 0.000 0.984 276 D CA 1.563 55.537 54.000 -0.043 0.000 0.834 276 D CB -0.724 40.063 40.800 -0.022 0.000 0.955 276 D HN 0.597 nan 8.370 nan 0.000 0.465 277 G N 0.481 109.260 108.800 -0.035 0.000 2.408 277 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 277 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 277 G C 1.743 176.594 174.900 -0.082 0.000 1.150 277 G CA 0.275 45.384 45.100 0.015 0.000 0.776 277 G HN 0.252 nan 8.290 nan 0.000 0.542 278 I N 0.390 120.769 120.570 -0.318 0.000 2.142 278 I HA -0.137 4.033 4.170 -0.000 0.000 0.240 278 I C 2.725 178.745 176.117 -0.161 0.000 1.078 278 I CA 0.762 61.799 61.300 -0.438 0.000 1.343 278 I CB -0.224 37.448 38.000 -0.547 0.000 1.046 278 I HN 0.113 nan 8.210 nan 0.000 0.405 279 L N 0.427 121.587 121.223 -0.105 0.000 2.042 279 L HA -0.251 4.088 4.340 -0.000 0.000 0.210 279 L C 2.599 179.461 176.870 -0.014 0.000 1.076 279 L CA 1.328 56.147 54.840 -0.034 0.000 0.749 279 L CB -0.630 41.414 42.059 -0.025 0.000 0.893 279 L HN 0.198 nan 8.230 nan 0.000 0.432 280 K N 0.248 120.637 120.400 -0.018 0.000 2.032 280 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 280 K C 2.188 178.789 176.600 0.000 0.000 1.048 280 K CA 1.889 58.175 56.287 -0.003 0.000 0.927 280 K CB -0.304 32.201 32.500 0.008 0.000 0.712 280 K HN 0.051 nan 8.250 nan 0.000 0.441 281 S N 0.352 116.061 115.700 0.013 0.000 2.370 281 S HA -0.106 4.364 4.470 -0.000 0.000 0.226 281 S C 1.861 176.460 174.600 -0.001 0.000 1.033 281 S CA 1.572 59.788 58.200 0.028 0.000 1.011 281 S CB -0.377 62.875 63.200 0.087 0.000 0.852 281 S HN 0.307 nan 8.310 nan 0.000 0.457 282 I N 1.290 121.859 120.570 -0.001 0.000 2.226 282 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 282 I C 1.978 178.049 176.117 -0.077 0.000 1.100 282 I CA 1.093 62.390 61.300 -0.004 0.000 1.374 282 I CB -0.397 37.651 38.000 0.080 0.000 1.057 282 I HN 0.238 nan 8.210 nan 0.000 0.413 283 L N 0.563 121.755 121.223 -0.052 0.000 2.141 283 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 283 L C 2.619 179.425 176.870 -0.108 0.000 1.094 283 L CA 1.230 56.018 54.840 -0.086 0.000 0.763 283 L CB -0.579 41.458 42.059 -0.036 0.000 0.908 283 L HN 0.257 nan 8.230 nan 0.000 0.437 284 K N 0.416 120.770 120.400 -0.076 0.000 2.026 284 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 284 K C 2.009 178.545 176.600 -0.106 0.000 1.048 284 K CA 1.546 57.791 56.287 -0.071 0.000 0.929 284 K CB 0.011 32.487 32.500 -0.038 0.000 0.713 284 K HN 0.082 nan 8.250 nan 0.000 0.439 285 V N 2.056 121.896 119.914 -0.123 0.000 2.343 285 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 285 V C 2.495 178.416 176.094 -0.287 0.000 1.051 285 V CA 1.989 64.187 62.300 -0.170 0.000 1.036 285 V CB -0.574 31.161 31.823 -0.147 0.000 0.654 285 V HN 0.430 nan 8.190 nan 0.000 0.451 286 K N 0.636 120.814 120.400 -0.371 0.000 2.044 286 K HA -0.303 4.017 4.320 -0.000 0.000 0.210 286 K C 2.300 178.700 176.600 -0.334 0.000 1.049 286 K CA 2.319 58.295 56.287 -0.518 0.000 0.927 286 K CB -0.168 31.972 32.500 -0.600 0.000 0.713 286 K HN 0.463 nan 8.250 nan 0.000 0.443 287 K N -0.167 120.103 120.400 -0.216 0.000 2.062 287 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 287 K C 1.943 178.470 176.600 -0.122 0.000 1.051 287 K CA 1.097 57.300 56.287 -0.140 0.000 0.941 287 K CB -0.153 32.289 32.500 -0.096 0.000 0.719 287 K HN 0.200 nan 8.250 nan 0.000 0.440 288 A N 0.894 123.639 122.820 -0.125 0.000 1.930 288 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 288 A C 1.865 179.393 177.584 -0.094 0.000 1.175 288 A CA 1.148 53.130 52.037 -0.092 0.000 0.627 288 A CB -0.277 18.676 19.000 -0.078 0.000 0.815 288 A HN 0.352 nan 8.150 nan 0.000 0.443 289 L N -1.723 119.403 121.223 -0.163 0.000 2.664 289 L HA 0.256 4.596 4.340 -0.000 0.000 0.233 289 L C 1.390 178.175 176.870 -0.142 0.000 1.113 289 L CA 0.380 55.129 54.840 -0.152 0.000 0.896 289 L CB -0.028 41.875 42.059 -0.260 0.000 1.163 289 L HN 0.532 nan 8.230 nan 0.000 0.497 290 G N 1.590 110.289 108.800 -0.169 0.000 2.295 290 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.287 290 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.287 290 G C 0.307 175.134 174.900 -0.123 0.000 1.055 290 G CA 0.059 45.107 45.100 -0.087 0.000 0.922 290 G HN 0.226 nan 8.290 nan 0.000 0.503 291 M N -0.958 118.279 119.600 -0.605 0.000 2.250 291 M HA 0.535 5.015 4.480 -0.000 0.000 0.325 291 M C 0.696 176.787 176.300 -0.348 0.000 1.084 291 M CA 0.570 55.161 55.300 -1.183 0.000 1.161 291 M CB 0.260 31.898 32.600 -1.603 0.000 1.481 291 M HN 0.558 nan 8.290 nan 0.000 0.449 292 F N -0.488 119.408 119.950 -0.090 0.000 2.686 292 F HA 0.641 5.168 4.527 0.000 0.000 0.311 292 F C -1.307 174.767 175.800 0.457 0.000 1.128 292 F CA -1.564 56.575 58.000 0.233 0.000 0.946 292 F CB 0.719 39.828 39.000 0.181 0.000 1.336 292 F HN 0.186 nan 8.300 nan 0.000 0.457 293 I N 2.301 123.173 120.570 0.504 0.000 2.352 293 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 293 I C 0.638 177.018 176.117 0.439 0.000 1.036 293 I CA 0.109 61.588 61.300 0.299 0.000 1.336 293 I CB 0.822 38.914 38.000 0.154 0.000 1.407 293 I HN 0.776 nan 8.210 nan 0.000 0.497 294 S N 4.093 120.013 115.700 0.367 0.000 2.608 294 S HA 0.104 4.574 4.470 -0.000 0.000 0.261 294 S C 0.619 175.370 174.600 0.251 0.000 1.314 294 S CA -0.438 58.009 58.200 0.412 0.000 0.992 294 S CB 0.568 63.959 63.200 0.318 0.000 0.935 294 S HN 0.690 nan 8.310 nan 0.000 0.564 295 D N 0.669 121.205 120.400 0.226 0.000 2.525 295 D HA 0.147 4.787 4.640 -0.000 0.000 0.229 295 D C -0.416 175.954 176.300 0.116 0.000 1.202 295 D CA -0.195 53.907 54.000 0.170 0.000 0.828 295 D CB -0.288 40.666 40.800 0.256 0.000 1.008 295 D HN 0.217 nan 8.370 nan 0.000 0.493 296 T N 2.551 117.173 114.554 0.113 0.000 2.756 296 T HA 0.413 4.763 4.350 -0.000 0.000 0.290 296 T C -2.609 172.119 174.700 0.048 0.000 0.985 296 T CA -1.386 60.760 62.100 0.077 0.000 0.955 296 T CB 1.852 70.771 68.868 0.086 0.000 0.930 296 T HN 0.007 nan 8.240 nan 0.000 0.451 297 P HA 0.509 nan 4.420 nan 0.000 0.269 297 P C 0.586 177.890 177.300 0.007 0.000 1.215 297 P CA 0.421 63.526 63.100 0.010 0.000 0.780 297 P CB 0.705 32.404 31.700 -0.001 0.000 0.898 298 G N 0.846 109.645 108.800 -0.003 0.000 2.247 298 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.229 298 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.229 298 G C -1.204 173.685 174.900 -0.017 0.000 1.345 298 G CA -0.723 44.370 45.100 -0.010 0.000 1.100 298 G HN 0.468 nan 8.290 nan 0.000 0.473 299 E N 0.684 120.870 120.200 -0.023 0.000 2.398 299 E HA 0.330 4.680 4.350 -0.000 0.000 0.263 299 E C 0.360 176.946 176.600 -0.024 0.000 1.046 299 E CA -0.072 56.310 56.400 -0.030 0.000 0.908 299 E CB 0.654 30.329 29.700 -0.042 0.000 0.963 299 E HN 0.360 nan 8.360 nan 0.000 0.431 300 R N 2.256 122.744 120.500 -0.020 0.000 2.438 300 R HA 0.038 4.378 4.340 -0.000 0.000 0.287 300 R C 0.281 176.581 176.300 -0.001 0.000 1.077 300 R CA -0.442 55.656 56.100 -0.003 0.000 1.034 300 R CB 0.181 30.483 30.300 0.003 0.000 0.993 300 R HN 0.534 nan 8.270 nan 0.000 0.459 301 N N 3.352 122.053 118.700 0.003 0.000 2.354 301 N HA 0.084 4.824 4.740 -0.000 0.000 0.246 301 N C -2.124 173.460 175.510 0.124 0.000 1.285 301 N CA -1.404 51.642 53.050 -0.007 0.000 0.925 301 N CB 0.187 38.612 38.487 -0.103 0.000 1.174 301 N HN 0.121 nan 8.380 nan 0.000 0.478 302 P HA -0.146 nan 4.420 nan 0.000 0.218 302 P C 0.775 178.301 177.300 0.377 0.000 1.148 302 P CA 1.129 64.413 63.100 0.308 0.000 0.822 302 P CB -0.140 31.773 31.700 0.355 0.000 0.784 303 Y N 1.064 121.548 120.300 0.306 0.000 2.206 303 Y HA -0.084 4.466 4.550 -0.000 0.000 0.292 303 Y C 2.034 178.008 175.900 0.125 0.000 1.123 303 Y CA 1.243 59.438 58.100 0.158 0.000 1.142 303 Y CB -0.887 37.588 38.460 0.026 0.000 1.006 303 Y HN -0.044 nan 8.280 nan 0.000 0.518 304 E N -0.039 120.130 120.200 -0.051 0.000 2.070 304 E HA -0.304 4.046 4.350 -0.000 0.000 0.197 304 E C 2.003 178.598 176.600 -0.008 0.000 1.004 304 E CA 1.591 57.928 56.400 -0.106 0.000 0.805 304 E CB -0.310 29.392 29.700 0.003 0.000 0.744 304 E HN 0.412 nan 8.360 nan 0.000 0.451 305 N N 0.947 119.682 118.700 0.057 0.000 2.080 305 N HA -0.134 4.606 4.740 -0.000 0.000 0.189 305 N C 1.741 177.259 175.510 0.014 0.000 1.036 305 N CA 0.958 54.042 53.050 0.058 0.000 0.846 305 N CB -0.158 38.391 38.487 0.104 0.000 1.015 305 N HN 0.137 nan 8.380 nan 0.000 0.423 306 I N -0.406 120.210 120.570 0.076 0.000 2.315 306 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 306 I C 1.922 178.038 176.117 -0.002 0.000 1.117 306 I CA 0.687 62.024 61.300 0.061 0.000 1.404 306 I CB -0.039 38.104 38.000 0.239 0.000 1.071 306 I HN 0.206 nan 8.210 nan 0.000 0.419 307 L N 0.054 121.255 121.223 -0.037 0.000 2.027 307 L HA -0.268 4.072 4.340 -0.000 0.000 0.206 307 L C 2.315 179.136 176.870 -0.083 0.000 1.074 307 L CA 1.967 56.751 54.840 -0.093 0.000 0.745 307 L CB -1.071 40.823 42.059 -0.274 0.000 0.898 307 L HN 0.294 nan 8.230 nan 0.000 0.433 308 Y N 0.363 120.606 120.300 -0.095 0.000 2.114 308 Y HA -0.332 4.218 4.550 -0.000 0.000 0.282 308 Y C 2.546 178.384 175.900 -0.105 0.000 1.165 308 Y CA 2.334 60.396 58.100 -0.063 0.000 1.148 308 Y CB -0.047 38.392 38.460 -0.036 0.000 0.972 308 Y HN 0.172 nan 8.280 nan 0.000 0.504 309 K N -0.211 120.197 120.400 0.014 0.000 2.057 309 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 309 K C 2.032 178.558 176.600 -0.123 0.000 1.050 309 K CA 1.740 57.981 56.287 -0.077 0.000 0.935 309 K CB -0.230 32.081 32.500 -0.315 0.000 0.715 309 K HN 0.351 nan 8.250 nan 0.000 0.439 310 I N 0.552 121.051 120.570 -0.119 0.000 2.252 310 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 310 I C 2.154 178.191 176.117 -0.134 0.000 1.102 310 I CA 0.900 62.141 61.300 -0.099 0.000 1.385 310 I CB -0.202 37.758 38.000 -0.068 0.000 1.064 310 I HN 0.245 nan 8.210 nan 0.000 0.414 311 C N 0.146 119.336 119.300 -0.184 0.000 2.456 311 C HA -0.040 4.420 4.460 -0.000 0.000 0.279 311 C C 2.628 177.456 174.990 -0.270 0.000 1.427 311 C CA -0.091 58.799 59.018 -0.213 0.000 1.778 311 C CB -0.865 26.740 27.740 -0.225 0.000 1.842 311 C HN 0.468 nan 8.230 nan 0.000 0.531 312 L N 0.978 122.014 121.223 -0.313 0.000 2.081 312 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 312 L C 0.982 177.754 176.870 -0.163 0.000 1.080 312 L CA 1.944 56.629 54.840 -0.259 0.000 0.754 312 L CB -0.141 41.822 42.059 -0.160 0.000 0.893 312 L HN 0.365 nan 8.230 nan 0.000 0.433 313 S N -2.581 113.043 115.700 -0.128 0.000 2.543 313 S HA 0.516 4.986 4.470 -0.000 0.000 0.273 313 S C 0.508 175.051 174.600 -0.096 0.000 1.152 313 S CA -0.350 57.792 58.200 -0.097 0.000 0.910 313 S CB 1.114 64.272 63.200 -0.070 0.000 1.105 313 S HN 0.215 nan 8.310 nan 0.000 0.465 314 G N 1.603 110.348 108.800 -0.091 0.000 2.848 314 G HA2 0.190 4.150 3.960 -0.000 0.000 0.208 314 G HA3 0.190 4.150 3.960 -0.000 0.000 0.208 314 G C -0.080 174.757 174.900 -0.105 0.000 1.152 314 G CA 0.237 45.282 45.100 -0.092 0.000 0.789 314 G HN 0.647 nan 8.290 nan 0.000 0.531 315 D N -0.773 119.560 120.400 -0.111 0.000 2.337 315 D HA 0.493 5.133 4.640 -0.000 0.000 0.238 315 D C 0.204 176.408 176.300 -0.160 0.000 1.331 315 D CA 0.340 54.254 54.000 -0.144 0.000 0.967 315 D CB 0.594 41.331 40.800 -0.104 0.000 1.382 315 D HN 0.278 nan 8.370 nan 0.000 0.549 316 G N 1.323 109.967 108.800 -0.260 0.000 2.323 316 G HA2 0.190 4.150 3.960 -0.000 0.000 0.291 316 G HA3 0.190 4.150 3.960 -0.000 0.000 0.291 316 G C -1.684 173.029 174.900 -0.311 0.000 1.278 316 G CA -0.877 44.086 45.100 -0.229 0.000 0.860 316 G HN 0.074 nan 8.290 nan 0.000 0.504 317 W N 1.523 122.850 121.300 0.044 0.000 2.338 317 W HA 0.356 5.016 4.660 -0.000 0.000 0.315 317 W C -1.897 174.678 176.519 0.095 0.000 1.005 317 W CA -1.504 55.890 57.345 0.081 0.000 1.380 317 W CB 1.931 31.440 29.460 0.081 0.000 1.235 317 W HN 0.366 nan 8.180 nan 0.000 0.409 318 P HA -0.233 nan 4.420 nan 0.000 0.216 318 P C 0.972 178.327 177.300 0.092 0.000 1.150 318 P CA 1.862 65.028 63.100 0.109 0.000 0.843 318 P CB 0.292 32.010 31.700 0.031 0.000 0.787 319 Y N -0.898 119.496 120.300 0.157 0.000 2.476 319 Y HA 0.088 4.638 4.550 -0.000 0.000 0.283 319 Y C 2.182 178.150 175.900 0.113 0.000 1.109 319 Y CA 0.320 58.500 58.100 0.134 0.000 1.246 319 Y CB -0.218 38.327 38.460 0.141 0.000 1.068 319 Y HN -0.095 nan 8.280 nan 0.000 0.552 320 I N -3.735 117.011 120.570 0.294 0.000 4.403 320 I HA 0.516 4.686 4.170 -0.000 0.000 0.331 320 I C 0.849 177.018 176.117 0.087 0.000 1.327 320 I CA -0.622 60.774 61.300 0.159 0.000 1.175 320 I CB -0.325 37.738 38.000 0.105 0.000 1.165 320 I HN -0.163 nan 8.210 nan 0.000 0.413 321 A N 1.044 123.965 122.820 0.168 0.000 2.366 321 A HA 0.550 4.870 4.320 -0.000 0.000 0.249 321 A C 0.542 178.170 177.584 0.073 0.000 1.084 321 A CA 0.146 52.263 52.037 0.134 0.000 0.794 321 A CB 0.054 19.248 19.000 0.324 0.000 1.034 321 A HN 0.338 nan 8.150 nan 0.000 0.491 322 S N -0.344 115.380 115.700 0.041 0.000 2.481 322 S HA 0.167 4.636 4.470 -0.000 0.000 0.282 322 S C 0.852 175.475 174.600 0.038 0.000 1.243 322 S CA -0.113 58.098 58.200 0.019 0.000 1.078 322 S CB -0.332 62.870 63.200 0.003 0.000 0.916 322 S HN 0.580 nan 8.310 nan 0.000 0.495 323 R N 2.086 122.597 120.500 0.019 0.000 2.472 323 R HA 0.103 4.443 4.340 -0.000 0.000 0.279 323 R C 1.853 178.145 176.300 -0.013 0.000 0.953 323 R CA 0.547 56.656 56.100 0.015 0.000 1.088 323 R CB 0.114 30.428 30.300 0.024 0.000 1.197 323 R HN 0.775 nan 8.270 nan 0.000 0.536 324 T N -2.942 111.594 114.554 -0.029 0.000 3.113 324 T HA 0.010 4.360 4.350 -0.000 0.000 0.263 324 T C 1.549 176.219 174.700 -0.050 0.000 1.143 324 T CA 0.911 62.978 62.100 -0.055 0.000 1.090 324 T CB 0.071 68.897 68.868 -0.070 0.000 0.922 324 T HN -0.089 nan 8.240 nan 0.000 0.521 325 S N 0.444 116.125 115.700 -0.031 0.000 2.556 325 S HA 0.375 4.845 4.470 -0.000 0.000 0.216 325 S C 0.534 175.116 174.600 -0.030 0.000 0.970 325 S CA -0.478 57.704 58.200 -0.029 0.000 0.912 325 S CB -0.074 63.115 63.200 -0.018 0.000 0.790 325 S HN 0.448 nan 8.310 nan 0.000 0.504 326 I N 3.849 124.400 120.570 -0.031 0.000 2.496 326 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 326 I C 0.968 177.055 176.117 -0.049 0.000 1.080 326 I CA 0.147 61.424 61.300 -0.038 0.000 1.404 326 I CB 0.428 38.407 38.000 -0.036 0.000 1.403 326 I HN 0.145 nan 8.210 nan 0.000 0.539 327 T N 2.050 116.571 114.554 -0.055 0.000 2.928 327 T HA 0.739 5.089 4.350 -0.000 0.000 0.284 327 T C 0.307 174.956 174.700 -0.085 0.000 1.008 327 T CA -0.121 61.943 62.100 -0.061 0.000 1.057 327 T CB 1.841 70.678 68.868 -0.051 0.000 1.018 327 T HN 1.180 nan 8.240 nan 0.000 0.493 328 G N 1.569 110.311 108.800 -0.097 0.000 2.746 328 G HA2 0.003 3.963 3.960 -0.000 0.000 0.685 328 G HA3 0.003 3.963 3.960 -0.000 0.000 0.685 328 G C -0.796 173.966 174.900 -0.228 0.000 1.350 328 G CA -1.065 43.946 45.100 -0.149 0.000 0.837 328 G HN 0.850 nan 8.290 nan 0.000 0.564 329 R N 0.229 120.485 120.500 -0.408 0.000 2.691 329 R HA 0.762 5.102 4.340 -0.000 0.000 0.259 329 R C 1.761 177.583 176.300 -0.796 0.000 1.048 329 R CA -0.092 55.595 56.100 -0.689 0.000 1.086 329 R CB 0.742 30.254 30.300 -1.313 0.000 1.166 329 R HN 1.213 nan 8.270 nan 0.000 0.526 330 A N 1.045 123.263 122.820 -1.002 0.000 1.917 330 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 330 A C 1.693 179.019 177.584 -0.430 0.000 1.182 330 A CA 2.021 53.560 52.037 -0.830 0.000 0.633 330 A CB -0.810 17.418 19.000 -1.287 0.000 0.819 330 A HN 0.870 nan 8.150 nan 0.000 0.448 331 W N -0.300 120.890 121.300 -0.182 0.000 2.699 331 W HA 0.218 4.878 4.660 0.000 0.000 0.249 331 W C 1.243 177.725 176.519 -0.061 0.000 1.280 331 W CA 0.740 58.029 57.345 -0.094 0.000 1.345 331 W CB -0.292 29.145 29.460 -0.039 0.000 1.128 331 W HN 0.386 nan 8.180 nan 0.000 0.642 332 E N 0.560 120.639 120.200 -0.202 0.000 2.166 332 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 332 E C 1.634 178.169 176.600 -0.108 0.000 0.967 332 E CA 0.654 56.990 56.400 -0.106 0.000 0.840 332 E CB -0.163 29.439 29.700 -0.164 0.000 0.795 332 E HN 0.164 nan 8.360 nan 0.000 0.470 333 N N 0.138 118.734 118.700 -0.173 0.000 2.424 333 N HA 0.008 4.748 4.740 -0.000 0.000 0.178 333 N C -0.270 175.176 175.510 -0.107 0.000 1.060 333 N CA 0.653 53.620 53.050 -0.138 0.000 0.901 333 N CB 0.771 39.157 38.487 -0.168 0.000 0.979 333 N HN -0.074 nan 8.380 nan 0.000 0.451 334 T N 1.080 115.574 114.554 -0.100 0.000 2.840 334 T HA 0.517 4.866 4.350 -0.000 0.000 0.287 334 T C -0.316 174.369 174.700 -0.025 0.000 0.991 334 T CA -0.701 61.359 62.100 -0.067 0.000 0.964 334 T CB 2.036 70.853 68.868 -0.085 0.000 0.954 334 T HN -0.071 nan 8.240 nan 0.000 0.438 335 V N 0.988 120.893 119.914 -0.014 0.000 2.914 335 V HA 0.882 5.002 4.120 -0.000 0.000 0.314 335 V C -0.515 175.582 176.094 0.005 0.000 1.084 335 V CA -0.992 61.313 62.300 0.008 0.000 0.963 335 V CB 1.859 33.689 31.823 0.012 0.000 1.025 335 V HN 0.550 nan 8.190 nan 0.000 0.432 336 V N 2.289 122.211 119.914 0.013 0.000 2.427 336 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 336 V C -0.521 175.578 176.094 0.008 0.000 1.034 336 V CA 0.043 62.348 62.300 0.009 0.000 0.893 336 V CB 1.363 33.194 31.823 0.014 0.000 0.982 336 V HN 1.052 nan 8.190 nan 0.000 0.452 337 D N 4.464 124.866 120.400 0.004 0.000 2.460 337 D HA 0.586 5.226 4.640 -0.000 0.000 0.232 337 D C -0.850 175.452 176.300 0.002 0.000 1.079 337 D CA -0.072 53.929 54.000 0.003 0.000 0.864 337 D CB 1.219 42.020 40.800 0.000 0.000 1.048 337 D HN 0.336 nan 8.370 nan 0.000 0.523 365 L N 2.044 123.245 121.223 -0.036 0.000 2.416 365 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 365 L C 1.681 178.538 176.870 -0.022 0.000 1.161 365 L CA 0.097 54.910 54.840 -0.044 0.000 0.845 365 L CB 0.972 42.989 42.059 -0.071 0.000 1.119 365 L HN 0.826 nan 8.230 nan 0.000 0.464 366 T N -0.172 114.371 114.554 -0.019 0.000 2.802 366 T HA -0.009 4.340 4.350 -0.000 0.000 0.305 366 T C 1.156 175.873 174.700 0.028 0.000 1.053 366 T CA 0.023 62.133 62.100 0.016 0.000 1.058 366 T CB 0.198 69.074 68.868 0.013 0.000 0.988 366 T HN 0.515 nan 8.240 nan 0.000 0.539 367 Y N 1.556 121.837 120.300 -0.031 0.000 2.114 367 Y HA -0.191 4.359 4.550 0.000 0.000 0.282 367 Y C 2.715 178.595 175.900 -0.034 0.000 1.165 367 Y CA 2.282 60.364 58.100 -0.029 0.000 1.148 367 Y CB -0.922 37.525 38.460 -0.021 0.000 0.972 367 Y HN 0.714 nan 8.280 nan 0.000 0.504 368 S N 0.126 115.755 115.700 -0.119 0.000 2.356 368 S HA -0.261 4.209 4.470 -0.000 0.000 0.223 368 S C 1.857 176.321 174.600 -0.227 0.000 1.032 368 S CA 1.608 59.688 58.200 -0.200 0.000 1.005 368 S CB -0.379 62.782 63.200 -0.065 0.000 0.867 368 S HN 0.608 nan 8.310 nan 0.000 0.449 369 Q N 0.064 119.768 119.800 -0.160 0.000 2.135 369 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 369 Q C 2.203 178.102 176.000 -0.168 0.000 0.981 369 Q CA 1.084 56.798 55.803 -0.148 0.000 0.856 369 Q CB -0.269 28.405 28.738 -0.107 0.000 0.902 369 Q HN 0.346 nan 8.270 nan 0.000 0.425 370 L N 0.036 121.143 121.223 -0.193 0.000 2.072 370 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 370 L C 2.101 178.841 176.870 -0.216 0.000 1.079 370 L CA 1.523 56.254 54.840 -0.182 0.000 0.752 370 L CB -0.181 41.788 42.059 -0.149 0.000 0.906 370 L HN 0.242 nan 8.230 nan 0.000 0.436 371 M N -1.549 117.852 119.600 -0.332 0.000 2.159 371 M HA -0.206 4.274 4.480 -0.000 0.000 0.263 371 M C 2.042 178.234 176.300 -0.181 0.000 1.063 371 M CA 2.084 57.211 55.300 -0.289 0.000 1.110 371 M CB -0.696 31.654 32.600 -0.417 0.000 1.374 371 M HN 0.276 nan 8.290 nan 0.000 0.411 372 T N 1.226 115.675 114.554 -0.175 0.000 2.746 372 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 372 T C 1.690 176.328 174.700 -0.104 0.000 1.039 372 T CA 1.150 63.174 62.100 -0.127 0.000 1.142 372 T CB -0.312 68.477 68.868 -0.132 0.000 0.866 372 T HN 0.250 nan 8.240 nan 0.000 0.444 373 L N 1.273 122.426 121.223 -0.116 0.000 1.994 373 L HA -0.038 4.301 4.340 -0.000 0.000 0.208 373 L C 2.233 179.053 176.870 -0.085 0.000 1.071 373 L CA 1.858 56.636 54.840 -0.104 0.000 0.745 373 L CB -0.466 41.517 42.059 -0.125 0.000 0.892 373 L HN 0.063 nan 8.230 nan 0.000 0.431 374 K N -0.583 119.764 120.400 -0.088 0.000 2.097 374 K HA -0.174 4.145 4.320 -0.000 0.000 0.206 374 K C 1.757 178.328 176.600 -0.048 0.000 1.049 374 K CA 1.613 57.861 56.287 -0.065 0.000 0.933 374 K CB -0.271 32.189 32.500 -0.067 0.000 0.717 374 K HN 0.390 nan 8.250 nan 0.000 0.442 375 D N 0.448 120.816 120.400 -0.053 0.000 2.149 375 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 375 D C 1.786 178.071 176.300 -0.025 0.000 0.972 375 D CA 1.055 55.034 54.000 -0.035 0.000 0.835 375 D CB -0.144 40.633 40.800 -0.039 0.000 0.966 375 D HN 0.169 nan 8.370 nan 0.000 0.476 376 A N 0.786 123.584 122.820 -0.036 0.000 1.933 376 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 376 A C 2.034 179.604 177.584 -0.022 0.000 1.175 376 A CA 1.136 53.157 52.037 -0.028 0.000 0.628 376 A CB -0.441 18.535 19.000 -0.039 0.000 0.814 376 A HN 0.116 nan 8.150 nan 0.000 0.444 377 M N -0.291 119.293 119.600 -0.027 0.000 2.539 377 M HA 0.009 4.489 4.480 -0.000 0.000 0.261 377 M C 1.623 177.921 176.300 -0.004 0.000 1.069 377 M CA 0.828 56.116 55.300 -0.020 0.000 1.081 377 M CB -1.091 31.494 32.600 -0.026 0.000 1.412 377 M HN 0.406 nan 8.290 nan 0.000 0.482 378 L N -0.573 120.655 121.223 0.007 0.000 2.456 378 L HA -0.177 4.163 4.340 -0.000 0.000 0.224 378 L C 2.435 179.344 176.870 0.064 0.000 1.148 378 L CA 0.672 55.533 54.840 0.036 0.000 0.825 378 L CB -0.566 41.512 42.059 0.032 0.000 0.937 378 L HN 0.420 nan 8.230 nan 0.000 0.450 379 Q N 0.632 120.455 119.800 0.039 0.000 2.224 379 Q HA -0.073 4.267 4.340 -0.000 0.000 0.203 379 Q C 0.889 176.907 176.000 0.030 0.000 0.970 379 Q CA 0.420 56.254 55.803 0.050 0.000 0.865 379 Q CB 0.179 28.931 28.738 0.023 0.000 0.922 379 Q HN 0.440 nan 8.270 nan 0.000 0.445 380 L N 2.165 123.376 121.223 -0.021 0.000 2.485 380 L HA 0.002 4.341 4.340 -0.000 0.000 0.275 380 L C 0.080 176.784 176.870 -0.277 0.000 1.207 380 L CA -0.274 54.505 54.840 -0.102 0.000 0.855 380 L CB 0.220 42.231 42.059 -0.079 0.000 1.114 380 L HN 0.107 nan 8.230 nan 0.000 0.485 381 D N 4.814 124.940 120.400 -0.457 0.000 2.396 381 D HA 0.162 4.802 4.640 -0.000 0.000 0.225 381 D C -1.540 174.460 176.300 -0.501 0.000 1.121 381 D CA -2.281 51.145 54.000 -0.956 0.000 0.853 381 D CB 1.414 41.705 40.800 -0.848 0.000 1.043 381 D HN 0.182 nan 8.370 nan 0.000 0.500 382 P HA -0.112 nan 4.420 nan 0.000 0.223 382 P C 0.179 177.390 177.300 -0.148 0.000 1.144 382 P CA 0.909 63.900 63.100 -0.182 0.000 0.783 382 P CB 0.328 31.972 31.700 -0.092 0.000 0.771 383 N N -0.420 118.173 118.700 -0.177 0.000 2.392 383 N HA 0.134 4.873 4.740 -0.000 0.000 0.177 383 N C 0.782 176.227 175.510 -0.107 0.000 1.066 383 N CA -0.032 52.958 53.050 -0.101 0.000 0.895 383 N CB -0.138 38.322 38.487 -0.045 0.000 0.988 383 N HN 0.108 nan 8.380 nan 0.000 0.457 384 A N 1.106 123.837 122.820 -0.149 0.000 2.322 384 A HA 0.181 4.501 4.320 -0.000 0.000 0.269 384 A C 0.262 177.773 177.584 -0.122 0.000 1.094 384 A CA -0.510 51.451 52.037 -0.127 0.000 0.807 384 A CB 0.325 19.234 19.000 -0.151 0.000 1.047 384 A HN 0.175 nan 8.150 nan 0.000 0.487 385 K N 0.937 121.269 120.400 -0.114 0.000 2.491 385 K HA 0.121 4.441 4.320 -0.000 0.000 0.279 385 K C -0.922 175.593 176.600 -0.141 0.000 1.026 385 K CA 0.919 57.123 56.287 -0.140 0.000 1.070 385 K CB -0.022 32.410 32.500 -0.113 0.000 0.887 385 K HN 0.614 nan 8.250 nan 0.000 0.481 386 T N 4.794 119.246 114.554 -0.169 0.000 2.949 386 T HA 0.218 4.568 4.350 -0.000 0.000 0.300 386 T C -1.166 173.474 174.700 -0.101 0.000 0.988 386 T CA -0.588 61.459 62.100 -0.088 0.000 0.993 386 T CB 0.222 69.052 68.868 -0.063 0.000 0.984 386 T HN 0.498 nan 8.240 nan 0.000 0.442 387 W N 3.270 124.573 121.300 0.005 0.000 2.313 387 W HA 0.706 5.366 4.660 -0.000 0.000 0.328 387 W C 0.275 176.838 176.519 0.074 0.000 1.197 387 W CA -0.761 56.625 57.345 0.068 0.000 1.235 387 W CB 0.927 30.472 29.460 0.141 0.000 1.158 387 W HN 0.419 nan 8.180 nan 0.000 0.578 388 M N 2.448 122.246 119.600 0.329 0.000 2.501 388 M HA 0.404 4.883 4.480 -0.000 0.000 0.293 388 M C -2.000 174.440 176.300 0.233 0.000 1.192 388 M CA -0.344 55.084 55.300 0.214 0.000 0.886 388 M CB 2.194 34.867 32.600 0.122 0.000 1.710 388 M HN 0.509 nan 8.290 nan 0.000 0.457 389 D N 2.878 123.367 120.400 0.148 0.000 2.717 389 D HA 0.666 5.306 4.640 -0.000 0.000 0.223 389 D C -1.697 174.640 176.300 0.062 0.000 1.240 389 D CA -0.497 53.586 54.000 0.139 0.000 0.801 389 D CB 2.191 43.067 40.800 0.128 0.000 1.556 389 D HN 0.693 nan 8.370 nan 0.000 0.462 390 I N -1.225 119.391 120.570 0.077 0.000 2.934 390 I HA 0.721 4.891 4.170 -0.000 0.000 0.306 390 I C -1.100 175.079 176.117 0.105 0.000 1.110 390 I CA -0.714 60.617 61.300 0.052 0.000 1.019 390 I CB 2.296 40.323 38.000 0.045 0.000 1.227 390 I HN 0.096 nan 8.210 nan 0.000 0.434 391 E N 2.504 122.775 120.200 0.119 0.000 2.207 391 E HA 0.680 5.030 4.350 -0.000 0.000 0.270 391 E C -0.081 176.647 176.600 0.213 0.000 0.927 391 E CA -0.053 56.474 56.400 0.211 0.000 0.799 391 E CB 1.877 31.741 29.700 0.274 0.000 1.172 391 E HN 1.134 nan 8.360 nan 0.000 0.404 392 G N 2.092 111.062 108.800 0.282 0.000 2.730 392 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.686 392 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.686 392 G C -0.488 174.513 174.900 0.168 0.000 1.343 392 G CA -0.750 44.496 45.100 0.243 0.000 0.826 392 G HN 0.467 nan 8.290 nan 0.000 0.582 393 R N 1.957 122.546 120.500 0.149 0.000 2.738 393 R HA 0.285 4.625 4.340 -0.000 0.000 0.268 393 R C -0.967 175.394 176.300 0.101 0.000 1.062 393 R CA -0.802 55.366 56.100 0.112 0.000 1.158 393 R CB 0.643 31.003 30.300 0.100 0.000 1.046 393 R HN 0.419 nan 8.270 nan 0.000 0.493 394 P HA -0.215 nan 4.420 nan 0.000 0.218 394 P C 0.400 177.743 177.300 0.071 0.000 1.148 394 P CA 1.450 64.594 63.100 0.072 0.000 0.822 394 P CB 0.109 31.845 31.700 0.060 0.000 0.784 395 E N -0.403 119.840 120.200 0.071 0.000 2.427 395 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 395 E C 0.045 176.692 176.600 0.079 0.000 1.028 395 E CA 0.661 57.101 56.400 0.068 0.000 0.864 395 E CB -0.370 29.366 29.700 0.060 0.000 0.813 395 E HN 0.155 nan 8.360 nan 0.000 0.514 396 D N 1.145 121.603 120.400 0.097 0.000 3.118 396 D HA 0.188 4.828 4.640 -0.000 0.000 0.286 396 D C -2.749 173.634 176.300 0.139 0.000 1.255 396 D CA -1.800 52.268 54.000 0.114 0.000 0.748 396 D CB 0.970 41.846 40.800 0.126 0.000 1.332 396 D HN -0.076 nan 8.370 nan 0.000 0.575 397 P HA 0.117 nan 4.420 nan 0.000 0.278 397 P C 0.778 178.156 177.300 0.129 0.000 1.238 397 P CA -0.410 62.761 63.100 0.118 0.000 0.794 397 P CB 2.010 33.757 31.700 0.079 0.000 0.955 398 V N -1.619 118.378 119.914 0.139 0.000 3.562 398 V HA 0.382 4.502 4.120 -0.000 0.000 0.270 398 V C 0.466 176.635 176.094 0.126 0.000 1.418 398 V CA 0.438 62.830 62.300 0.154 0.000 1.033 398 V CB -0.224 31.744 31.823 0.242 0.000 0.820 398 V HN 0.550 nan 8.190 nan 0.000 0.441 399 E N 0.733 120.954 120.200 0.034 0.000 2.291 399 E HA 0.558 4.908 4.350 -0.000 0.000 0.276 399 E C -1.993 174.474 176.600 -0.222 0.000 0.896 399 E CA -0.684 55.654 56.400 -0.103 0.000 0.774 399 E CB 2.407 32.166 29.700 0.100 0.000 1.227 399 E HN 0.222 nan 8.360 nan 0.000 0.413 400 I N 2.441 122.686 120.570 -0.541 0.000 2.545 400 I HA 0.693 4.863 4.170 -0.000 0.000 0.292 400 I C -0.444 175.420 176.117 -0.421 0.000 1.040 400 I CA -0.777 60.202 61.300 -0.535 0.000 1.068 400 I CB 1.214 38.661 38.000 -0.922 0.000 1.251 400 I HN 0.614 nan 8.210 nan 0.000 0.424 401 A N 6.475 129.199 122.820 -0.161 0.000 2.486 401 A HA 0.903 5.223 4.320 -0.000 0.000 0.300 401 A C -1.518 176.099 177.584 0.056 0.000 1.048 401 A CA -0.401 51.615 52.037 -0.034 0.000 0.696 401 A CB 1.719 20.663 19.000 -0.093 0.000 1.278 401 A HN 0.510 nan 8.150 nan 0.000 0.405 402 L N 1.414 122.720 121.223 0.138 0.000 2.354 402 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 402 L C -0.971 176.069 176.870 0.283 0.000 1.005 402 L CA -0.492 54.461 54.840 0.189 0.000 0.819 402 L CB 2.016 44.166 42.059 0.151 0.000 1.311 402 L HN 0.705 nan 8.230 nan 0.000 0.423 403 Y N 1.329 121.709 120.300 0.134 0.000 2.401 403 Y HA 0.443 4.993 4.550 -0.000 0.000 0.330 403 Y C -1.363 174.626 175.900 0.149 0.000 1.071 403 Y CA -0.905 57.266 58.100 0.118 0.000 1.049 403 Y CB 1.804 40.280 38.460 0.026 0.000 1.239 403 Y HN 0.596 nan 8.280 nan 0.000 0.437 404 Q N 8.645 128.273 119.800 -0.287 0.000 2.462 404 Q HA 0.280 4.620 4.340 -0.000 0.000 0.247 404 Q C -2.114 173.521 176.000 -0.608 0.000 1.044 404 Q CA -2.030 53.571 55.803 -0.337 0.000 0.803 404 Q CB 1.967 30.616 28.738 -0.148 0.000 1.190 404 Q HN 0.491 nan 8.270 nan 0.000 0.507 405 P HA -0.156 nan 4.420 nan 0.000 0.218 405 P C 1.373 178.555 177.300 -0.197 0.000 1.149 405 P CA 1.047 63.782 63.100 -0.608 0.000 0.817 405 P CB 0.456 31.975 31.700 -0.301 0.000 0.785 406 S N 0.244 115.860 115.700 -0.140 0.000 2.368 406 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 406 S C 2.092 176.678 174.600 -0.024 0.000 1.029 406 S CA 1.977 60.144 58.200 -0.055 0.000 0.988 406 S CB -0.699 62.475 63.200 -0.043 0.000 0.838 406 S HN 0.318 nan 8.310 nan 0.000 0.462 407 S N -0.718 114.961 115.700 -0.035 0.000 2.470 407 S HA 0.357 4.826 4.470 -0.000 0.000 0.222 407 S C 1.631 176.258 174.600 0.044 0.000 1.024 407 S CA 0.953 59.159 58.200 0.011 0.000 0.931 407 S CB -0.203 63.002 63.200 0.008 0.000 0.791 407 S HN 1.223 nan 8.310 nan 0.000 0.513 408 G N 1.056 109.876 108.800 0.033 0.000 2.157 408 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 408 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 408 G C 0.315 175.356 174.900 0.236 0.000 0.979 408 G CA 0.038 45.236 45.100 0.164 0.000 0.650 408 G HN 1.438 nan 8.290 nan 0.000 0.529 409 C N 0.266 119.645 119.300 0.133 0.000 2.539 409 C HA 0.929 5.389 4.460 -0.000 0.000 0.392 409 C C 0.222 175.375 174.990 0.271 0.000 1.269 409 C CA -0.983 58.120 59.018 0.142 0.000 2.250 409 C CB -0.135 27.624 27.740 0.031 0.000 2.584 409 C HN 1.378 nan 8.230 nan 0.000 0.589 410 Y N 0.428 120.800 120.300 0.120 0.000 2.524 410 Y HA 0.833 5.383 4.550 -0.000 0.000 0.347 410 Y C -1.049 174.916 175.900 0.108 0.000 1.005 410 Y CA -1.841 56.336 58.100 0.129 0.000 1.025 410 Y CB 0.745 39.247 38.460 0.070 0.000 1.275 410 Y HN 0.692 nan 8.280 nan 0.000 0.460 411 I N 4.435 125.135 120.570 0.217 0.000 2.377 411 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 411 I C -0.682 175.639 176.117 0.340 0.000 0.987 411 I CA -0.526 60.896 61.300 0.204 0.000 1.185 411 I CB 1.340 39.462 38.000 0.203 0.000 1.341 411 I HN 0.820 nan 8.210 nan 0.000 0.455 412 H N 7.702 126.895 119.070 0.205 0.000 3.083 412 H HA 0.500 5.056 4.556 -0.000 0.000 0.339 412 H C -1.878 173.431 175.328 -0.031 0.000 1.020 412 H CA -0.565 55.495 56.048 0.020 0.000 1.360 412 H CB 1.718 31.549 29.762 0.116 0.000 1.811 412 H HN 0.564 nan 8.280 nan 0.000 0.493 413 F N 2.832 122.402 119.950 -0.632 0.000 2.779 413 F HA 0.682 5.209 4.527 -0.000 0.000 0.316 413 F C -2.294 172.974 175.800 -0.887 0.000 1.164 413 F CA -1.087 56.461 58.000 -0.753 0.000 0.924 413 F CB 1.162 39.983 39.000 -0.299 0.000 1.348 413 F HN 0.200 nan 8.300 nan 0.000 0.467 414 F N 0.391 120.325 119.950 -0.027 0.000 2.654 414 F HA 0.823 5.350 4.527 -0.000 0.000 0.334 414 F C -0.331 175.502 175.800 0.055 0.000 1.078 414 F CA -1.029 56.917 58.000 -0.090 0.000 0.986 414 F CB 2.176 41.065 39.000 -0.185 0.000 1.362 414 F HN 0.722 nan 8.300 nan 0.000 0.498 415 R N 0.660 121.301 120.500 0.236 0.000 2.566 415 R HA 0.297 4.637 4.340 -0.000 0.000 0.271 415 R C -1.600 174.761 176.300 0.102 0.000 1.071 415 R CA -0.628 55.568 56.100 0.161 0.000 0.915 415 R CB 1.794 32.190 30.300 0.161 0.000 1.228 415 R HN 0.779 nan 8.270 nan 0.000 0.449 416 E N 4.787 125.026 120.200 0.065 0.000 2.360 416 E HA 0.156 4.506 4.350 -0.000 0.000 0.269 416 E C -2.042 174.558 176.600 0.000 0.000 1.022 416 E CA -1.586 54.821 56.400 0.012 0.000 0.887 416 E CB 0.914 30.636 29.700 0.036 0.000 0.990 416 E HN 0.385 nan 8.360 nan 0.000 0.426 417 P HA -0.017 nan 4.420 nan 0.000 0.277 417 P C 0.397 177.702 177.300 0.007 0.000 1.240 417 P CA -0.125 62.974 63.100 -0.002 0.000 0.798 417 P CB 1.189 32.855 31.700 -0.057 0.000 0.979 418 T N -2.681 111.903 114.554 0.051 0.000 2.983 418 T HA -0.005 4.345 4.350 -0.000 0.000 0.250 418 T C 0.624 175.358 174.700 0.056 0.000 1.037 418 T CA 0.586 62.712 62.100 0.043 0.000 1.142 418 T CB -0.456 68.441 68.868 0.047 0.000 0.876 418 T HN 0.308 nan 8.240 nan 0.000 0.455 419 D N 1.275 121.728 120.400 0.088 0.000 2.456 419 D HA 0.185 4.824 4.640 -0.000 0.000 0.219 419 D C 0.836 177.221 176.300 0.142 0.000 1.126 419 D CA -0.581 53.480 54.000 0.102 0.000 0.890 419 D CB 1.113 41.978 40.800 0.109 0.000 1.025 419 D HN 0.126 nan 8.370 nan 0.000 0.511 420 L N 4.993 126.284 121.223 0.113 0.000 2.141 420 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 420 L C 2.131 179.122 176.870 0.201 0.000 1.094 420 L CA 1.643 56.570 54.840 0.145 0.000 0.763 420 L CB -0.369 41.740 42.059 0.083 0.000 0.908 420 L HN 0.329 nan 8.230 nan 0.000 0.437 421 K N -0.931 119.555 120.400 0.143 0.000 2.009 421 K HA -0.279 4.040 4.320 -0.000 0.000 0.210 421 K C 2.246 178.931 176.600 0.141 0.000 1.049 421 K CA 1.835 58.198 56.287 0.126 0.000 0.929 421 K CB -0.171 32.382 32.500 0.089 0.000 0.714 421 K HN 0.316 nan 8.250 nan 0.000 0.440 422 Q N 0.124 120.012 119.800 0.148 0.000 2.124 422 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 422 Q C 1.773 177.876 176.000 0.173 0.000 0.977 422 Q CA 1.669 57.556 55.803 0.140 0.000 0.850 422 Q CB -0.426 28.392 28.738 0.132 0.000 0.901 422 Q HN 0.433 nan 8.270 nan 0.000 0.429 423 F N 0.678 120.690 119.950 0.103 0.000 2.126 423 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 423 F C 1.633 177.498 175.800 0.108 0.000 1.096 423 F CA 1.513 59.599 58.000 0.144 0.000 1.255 423 F CB -0.006 39.080 39.000 0.143 0.000 0.997 423 F HN -0.010 nan 8.300 nan 0.000 0.479 424 K N 0.089 120.618 120.400 0.214 0.000 2.097 424 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 424 K C 2.030 178.590 176.600 -0.066 0.000 1.049 424 K CA 1.113 57.441 56.287 0.068 0.000 0.933 424 K CB -0.591 31.986 32.500 0.128 0.000 0.717 424 K HN 0.394 nan 8.250 nan 0.000 0.442 425 Q N 1.003 120.801 119.800 -0.003 0.000 2.079 425 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 425 Q C 1.677 177.660 176.000 -0.029 0.000 0.974 425 Q CA 1.329 57.163 55.803 0.051 0.000 0.840 425 Q CB -0.323 28.484 28.738 0.115 0.000 0.898 425 Q HN 0.299 nan 8.270 nan 0.000 0.430 426 D N 0.621 120.921 120.400 -0.168 0.000 2.144 426 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 426 D C 1.724 177.516 176.300 -0.845 0.000 0.984 426 D CA 1.396 55.154 54.000 -0.403 0.000 0.834 426 D CB -0.178 40.414 40.800 -0.346 0.000 0.955 426 D HN 0.247 nan 8.370 nan 0.000 0.465 427 A N 1.055 123.375 122.820 -0.832 0.000 1.933 427 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 427 A C 2.017 179.355 177.584 -0.410 0.000 1.175 427 A CA 1.331 52.984 52.037 -0.639 0.000 0.628 427 A CB -0.189 18.583 19.000 -0.380 0.000 0.814 427 A HN 0.024 nan 8.150 nan 0.000 0.444 428 K N -1.586 118.568 120.400 -0.410 0.000 2.167 428 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 428 K C 0.831 177.057 176.600 -0.623 0.000 1.052 428 K CA 1.128 57.093 56.287 -0.536 0.000 0.956 428 K CB -0.253 31.809 32.500 -0.730 0.000 0.735 428 K HN 0.689 nan 8.250 nan 0.000 0.451 429 Y N -0.934 119.236 120.300 -0.217 0.000 2.500 429 Y HA 0.198 4.747 4.550 -0.000 0.000 0.246 429 Y C 1.972 177.731 175.900 -0.235 0.000 1.146 429 Y CA -0.173 57.817 58.100 -0.184 0.000 1.230 429 Y CB 0.968 39.352 38.460 -0.126 0.000 1.214 429 Y HN -0.065 nan 8.280 nan 0.000 0.526 430 S N -1.210 114.364 115.700 -0.210 0.000 4.098 430 S HA 0.009 4.479 4.470 -0.000 0.000 0.193 430 S C 1.265 175.733 174.600 -0.220 0.000 1.049 430 S CA 0.569 58.616 58.200 -0.255 0.000 1.034 430 S CB -0.428 62.726 63.200 -0.076 0.000 1.380 430 S HN 0.482 nan 8.310 nan 0.000 0.629 431 H N -0.440 118.605 119.070 -0.041 0.000 2.654 431 H HA 0.533 5.089 4.556 -0.000 0.000 0.264 431 H C 1.316 176.752 175.328 0.181 0.000 0.954 431 H CA 0.834 56.952 56.048 0.117 0.000 1.199 431 H CB -0.599 29.285 29.762 0.204 0.000 1.446 431 H HN 0.631 nan 8.280 nan 0.000 0.516 432 G N 1.033 109.932 108.800 0.166 0.000 2.203 432 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.263 432 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.263 432 G C -0.026 174.985 174.900 0.185 0.000 1.012 432 G CA 0.482 45.653 45.100 0.117 0.000 0.749 432 G HN 0.502 nan 8.290 nan 0.000 0.512 433 I N 0.771 121.537 120.570 0.327 0.000 2.371 433 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 433 I C 0.255 176.515 176.117 0.239 0.000 1.028 433 I CA -0.668 60.724 61.300 0.153 0.000 1.345 433 I CB 1.036 39.036 38.000 0.001 0.000 1.407 433 I HN 0.011 nan 8.210 nan 0.000 0.501 434 D N 5.939 126.415 120.400 0.126 0.000 2.339 434 D HA 0.011 4.650 4.640 -0.000 0.000 0.256 434 D C 0.946 177.269 176.300 0.038 0.000 1.214 434 D CA 0.076 54.134 54.000 0.096 0.000 0.877 434 D CB 1.707 42.496 40.800 -0.019 0.000 1.111 434 D HN 0.345 nan 8.370 nan 0.000 0.478 435 V N 4.131 124.088 119.914 0.072 0.000 2.439 435 V HA -0.304 3.816 4.120 -0.000 0.000 0.253 435 V C 2.289 177.980 176.094 -0.671 0.000 1.074 435 V CA 3.104 65.197 62.300 -0.345 0.000 1.076 435 V CB -0.582 30.981 31.823 -0.434 0.000 0.664 435 V HN 0.861 nan 8.190 nan 0.000 0.461 436 T N -3.693 110.449 114.554 -0.687 0.000 2.995 436 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 436 T C 1.486 175.660 174.700 -0.876 0.000 1.091 436 T CA 1.277 62.647 62.100 -1.216 0.000 1.128 436 T CB -0.445 68.079 68.868 -0.573 0.000 0.891 436 T HN 0.489 nan 8.240 nan 0.000 0.492 437 D N 1.048 121.171 120.400 -0.462 0.000 2.317 437 D HA 0.139 4.779 4.640 -0.000 0.000 0.211 437 D C 1.778 177.929 176.300 -0.247 0.000 0.966 437 D CA 0.371 54.212 54.000 -0.266 0.000 0.876 437 D CB -0.062 40.630 40.800 -0.181 0.000 0.927 437 D HN 0.430 nan 8.370 nan 0.000 0.519 438 L N -0.171 120.864 121.223 -0.314 0.000 2.492 438 L HA -0.003 4.337 4.340 -0.000 0.000 0.223 438 L C 1.685 178.596 176.870 0.068 0.000 1.132 438 L CA 0.001 54.742 54.840 -0.164 0.000 0.850 438 L CB -0.183 41.792 42.059 -0.140 0.000 0.966 438 L HN -0.076 nan 8.230 nan 0.000 0.454 439 F N 0.844 120.755 119.950 -0.065 0.000 2.216 439 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 439 F C 2.504 178.301 175.800 -0.004 0.000 1.085 439 F CA 0.681 58.659 58.000 -0.037 0.000 1.326 439 F CB -1.213 37.770 39.000 -0.029 0.000 1.027 439 F HN 0.055 nan 8.300 nan 0.000 0.497 440 A N -0.412 122.526 122.820 0.195 0.000 2.238 440 A HA 0.051 4.371 4.320 -0.000 0.000 0.208 440 A C 1.194 178.893 177.584 0.192 0.000 1.177 440 A CA 0.680 52.839 52.037 0.203 0.000 0.804 440 A CB -1.210 17.933 19.000 0.238 0.000 0.823 440 A HN 0.313 nan 8.150 nan 0.000 0.482 441 T N -2.115 112.463 114.554 0.039 0.000 2.913 441 T HA 0.435 4.785 4.350 -0.000 0.000 0.287 441 T C -0.101 174.585 174.700 -0.024 0.000 1.008 441 T CA -0.548 61.474 62.100 -0.130 0.000 1.067 441 T CB 1.027 69.763 68.868 -0.219 0.000 0.996 441 T HN 0.200 nan 8.240 nan 0.000 0.513 442 Q N 3.176 122.949 119.800 -0.046 0.000 2.293 442 Q HA 0.349 4.689 4.340 -0.000 0.000 0.263 442 Q C -2.320 173.674 176.000 -0.011 0.000 1.002 442 Q CA -1.765 54.029 55.803 -0.016 0.000 0.910 442 Q CB 0.493 29.213 28.738 -0.030 0.000 1.185 442 Q HN 0.496 nan 8.270 nan 0.000 0.401 443 P HA 0.264 nan 4.420 nan 0.000 0.276 443 P C 0.122 177.407 177.300 -0.025 0.000 1.252 443 P CA 0.374 63.476 63.100 0.003 0.000 0.802 443 P CB 1.020 32.722 31.700 0.003 0.000 1.035 444 G N 0.099 108.887 108.800 -0.020 0.000 2.176 444 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.232 444 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.232 444 G C 0.734 175.570 174.900 -0.108 0.000 0.986 444 G CA 0.201 45.273 45.100 -0.046 0.000 0.643 444 G HN 0.456 nan 8.290 nan 0.000 0.522 445 L N 0.700 121.815 121.223 -0.180 0.000 2.341 445 L HA 0.080 4.420 4.340 -0.000 0.000 0.214 445 L C 2.919 179.520 176.870 -0.448 0.000 1.115 445 L CA 1.567 56.132 54.840 -0.458 0.000 0.820 445 L CB -0.397 41.143 42.059 -0.865 0.000 0.944 445 L HN 0.288 nan 8.230 nan 0.000 0.452 446 T N -0.588 113.945 114.554 -0.034 0.000 2.674 446 T HA -0.185 4.164 4.350 -0.000 0.000 0.265 446 T C 2.141 176.881 174.700 0.066 0.000 1.039 446 T CA 1.837 64.058 62.100 0.201 0.000 1.150 446 T CB -0.200 68.815 68.868 0.245 0.000 0.864 446 T HN 0.534 nan 8.240 nan 0.000 0.427 447 S N 2.005 117.713 115.700 0.015 0.000 2.368 447 S HA 0.062 4.532 4.470 -0.000 0.000 0.224 447 S C 2.449 177.031 174.600 -0.031 0.000 1.029 447 S CA 0.902 59.104 58.200 0.004 0.000 0.988 447 S CB -0.692 62.509 63.200 0.003 0.000 0.838 447 S HN 0.488 nan 8.310 nan 0.000 0.462 448 A N 1.681 124.453 122.820 -0.080 0.000 1.873 448 A HA 0.090 4.410 4.320 -0.000 0.000 0.215 448 A C 2.451 179.970 177.584 -0.108 0.000 1.186 448 A CA 1.635 53.612 52.037 -0.100 0.000 0.616 448 A CB -1.207 17.713 19.000 -0.133 0.000 0.823 448 A HN 0.436 nan 8.150 nan 0.000 0.442 449 V N 0.225 120.038 119.914 -0.169 0.000 2.261 449 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 449 V C 2.443 178.532 176.094 -0.008 0.000 1.047 449 V CA 2.164 64.396 62.300 -0.113 0.000 1.015 449 V CB -0.732 30.987 31.823 -0.174 0.000 0.642 449 V HN 0.569 nan 8.190 nan 0.000 0.446 450 I N 0.170 120.760 120.570 0.033 0.000 2.208 450 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 450 I C 2.257 178.385 176.117 0.019 0.000 1.097 450 I CA 1.600 62.929 61.300 0.048 0.000 1.363 450 I CB -0.514 37.527 38.000 0.069 0.000 1.051 450 I HN 0.321 nan 8.210 nan 0.000 0.413 451 D N 0.985 121.386 120.400 0.003 0.000 2.149 451 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 451 D C 2.085 178.380 176.300 -0.008 0.000 0.990 451 D CA 1.595 55.593 54.000 -0.004 0.000 0.839 451 D CB -0.104 40.689 40.800 -0.012 0.000 0.948 451 D HN 0.392 nan 8.370 nan 0.000 0.460 452 A N -0.004 122.806 122.820 -0.016 0.000 2.218 452 A HA 0.131 4.451 4.320 -0.000 0.000 0.209 452 A C 1.047 178.625 177.584 -0.010 0.000 1.168 452 A CA -0.180 51.845 52.037 -0.019 0.000 0.804 452 A CB -0.241 18.737 19.000 -0.036 0.000 0.834 452 A HN 0.141 nan 8.150 nan 0.000 0.482 453 L N 1.927 123.149 121.223 -0.001 0.000 2.525 453 L HA 0.127 4.467 4.340 -0.000 0.000 0.278 453 L C -1.909 174.957 176.870 -0.006 0.000 1.218 453 L CA -1.447 53.393 54.840 0.001 0.000 0.878 453 L CB 0.215 42.281 42.059 0.012 0.000 1.127 453 L HN 0.151 nan 8.230 nan 0.000 0.492 454 P HA 0.048 nan 4.420 nan 0.000 0.269 454 P C -0.721 176.571 177.300 -0.012 0.000 1.209 454 P CA -0.328 62.764 63.100 -0.013 0.000 0.776 454 P CB 0.355 32.039 31.700 -0.025 0.000 0.876 455 R N 2.783 123.279 120.500 -0.007 0.000 2.570 455 R HA 0.027 4.367 4.340 -0.000 0.000 0.277 455 R C 0.871 177.164 176.300 -0.012 0.000 1.039 455 R CA 0.197 56.293 56.100 -0.007 0.000 1.065 455 R CB -0.810 29.489 30.300 -0.002 0.000 0.964 455 R HN 0.585 nan 8.270 nan 0.000 0.428 456 N N 0.143 118.834 118.700 -0.014 0.000 2.714 456 N HA -0.240 4.500 4.740 -0.000 0.000 0.250 456 N C 0.083 175.576 175.510 -0.028 0.000 1.117 456 N CA 0.771 53.809 53.050 -0.019 0.000 0.719 456 N CB -0.919 37.559 38.487 -0.015 0.000 1.081 456 N HN 0.631 nan 8.380 nan 0.000 0.557 457 M N 0.674 120.255 119.600 -0.032 0.000 2.252 457 M HA 0.067 4.547 4.480 -0.000 0.000 0.333 457 M C 0.041 176.311 176.300 -0.051 0.000 1.111 457 M CA 0.393 55.665 55.300 -0.046 0.000 1.140 457 M CB 0.664 33.239 32.600 -0.042 0.000 1.538 457 M HN -0.079 nan 8.290 nan 0.000 0.448 458 V N 6.137 126.010 119.914 -0.069 0.000 2.417 458 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 458 V C -0.204 175.825 176.094 -0.108 0.000 1.024 458 V CA -0.580 61.671 62.300 -0.082 0.000 0.861 458 V CB 1.505 33.274 31.823 -0.089 0.000 0.985 458 V HN 0.695 nan 8.190 nan 0.000 0.436 459 I N 3.499 124.004 120.570 -0.108 0.000 2.404 459 I HA 0.437 4.607 4.170 -0.000 0.000 0.293 459 I C 0.156 176.154 176.117 -0.198 0.000 0.992 459 I CA -0.197 61.028 61.300 -0.126 0.000 1.149 459 I CB 2.329 40.294 38.000 -0.058 0.000 1.315 459 I HN 0.531 nan 8.210 nan 0.000 0.446 460 T N 4.297 118.640 114.554 -0.351 0.000 2.867 460 T HA 0.454 4.804 4.350 -0.000 0.000 0.282 460 T C -0.790 173.651 174.700 -0.432 0.000 1.000 460 T CA -0.321 61.429 62.100 -0.584 0.000 1.042 460 T CB 1.175 69.350 68.868 -1.154 0.000 0.973 460 T HN 0.539 nan 8.240 nan 0.000 0.465 461 C N 2.526 121.669 119.300 -0.261 0.000 2.701 461 C HA 0.447 4.907 4.460 -0.000 0.000 0.336 461 C C -0.370 174.683 174.990 0.105 0.000 1.123 461 C CA -0.828 58.219 59.018 0.049 0.000 1.326 461 C CB 1.680 29.414 27.740 -0.009 0.000 1.833 461 C HN 0.936 nan 8.230 nan 0.000 0.473 462 Q N 1.731 121.640 119.800 0.182 0.000 2.566 462 Q HA 0.509 4.848 4.340 -0.000 0.000 0.221 462 Q C 0.222 176.199 176.000 -0.038 0.000 1.195 462 Q CA 1.023 56.785 55.803 -0.069 0.000 0.967 462 Q CB -0.049 28.328 28.738 -0.601 0.000 1.337 462 Q HN 1.322 nan 8.270 nan 0.000 0.553 463 G N 2.175 110.962 108.800 -0.022 0.000 2.860 463 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.547 463 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.547 463 G C 0.338 175.247 174.900 0.015 0.000 1.103 463 G CA -0.041 45.056 45.100 -0.005 0.000 1.126 463 G HN 0.806 nan 8.290 nan 0.000 0.490 464 S N 0.432 116.133 115.700 0.002 0.000 2.470 464 S HA 0.001 4.471 4.470 -0.000 0.000 0.225 464 S C 1.600 176.208 174.600 0.012 0.000 1.006 464 S CA 1.377 59.579 58.200 0.004 0.000 0.934 464 S CB 0.181 63.372 63.200 -0.015 0.000 0.778 464 S HN 0.459 nan 8.310 nan 0.000 0.517 465 D N 3.181 123.588 120.400 0.012 0.000 2.126 465 D HA -0.174 4.466 4.640 -0.000 0.000 0.190 465 D C 1.799 178.115 176.300 0.027 0.000 1.001 465 D CA 1.854 55.864 54.000 0.016 0.000 0.841 465 D CB -0.556 40.253 40.800 0.015 0.000 0.949 465 D HN 0.704 nan 8.370 nan 0.000 0.446 466 D N 0.703 121.124 120.400 0.036 0.000 2.104 466 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 466 D C 2.055 178.384 176.300 0.048 0.000 0.994 466 D CA 0.689 54.718 54.000 0.047 0.000 0.830 466 D CB -0.648 40.189 40.800 0.061 0.000 0.959 466 D HN 0.170 nan 8.370 nan 0.000 0.452 467 I N 0.833 121.431 120.570 0.048 0.000 2.226 467 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 467 I C 2.707 178.845 176.117 0.035 0.000 1.100 467 I CA 0.767 62.094 61.300 0.047 0.000 1.374 467 I CB -1.136 36.893 38.000 0.048 0.000 1.057 467 I HN 0.110 nan 8.210 nan 0.000 0.413 468 R N 1.133 121.648 120.500 0.026 0.000 2.094 468 R HA -0.238 4.102 4.340 -0.000 0.000 0.239 468 R C 2.372 178.686 176.300 0.024 0.000 1.137 468 R CA 1.984 58.095 56.100 0.019 0.000 0.943 468 R CB -0.169 30.138 30.300 0.012 0.000 0.850 468 R HN 0.219 nan 8.270 nan 0.000 0.433 469 K N 0.070 120.487 120.400 0.028 0.000 2.001 469 K HA -0.216 4.104 4.320 -0.000 0.000 0.214 469 K C 2.130 178.752 176.600 0.036 0.000 1.050 469 K CA 1.838 58.144 56.287 0.031 0.000 0.934 469 K CB -0.319 32.202 32.500 0.035 0.000 0.718 469 K HN 0.132 nan 8.250 nan 0.000 0.443 470 L N 1.526 122.775 121.223 0.043 0.000 2.012 470 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 470 L C 1.960 178.858 176.870 0.047 0.000 1.073 470 L CA 1.636 56.506 54.840 0.050 0.000 0.748 470 L CB -0.504 41.589 42.059 0.058 0.000 0.891 470 L HN 0.246 nan 8.230 nan 0.000 0.431 471 L N -0.736 120.512 121.223 0.041 0.000 2.046 471 L HA -0.209 4.130 4.340 -0.000 0.000 0.208 471 L C 2.582 179.469 176.870 0.029 0.000 1.077 471 L CA 1.592 56.453 54.840 0.036 0.000 0.747 471 L CB -0.658 41.418 42.059 0.028 0.000 0.896 471 L HN 0.386 nan 8.230 nan 0.000 0.432 472 E N -0.151 120.064 120.200 0.025 0.000 2.106 472 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 472 E C 2.291 178.904 176.600 0.023 0.000 0.984 472 E CA 1.490 57.903 56.400 0.021 0.000 0.806 472 E CB -0.066 29.644 29.700 0.018 0.000 0.750 472 E HN 0.517 nan 8.360 nan 0.000 0.458 473 S N 0.623 116.340 115.700 0.029 0.000 2.442 473 S HA -0.124 4.345 4.470 -0.000 0.000 0.236 473 S C 1.731 176.349 174.600 0.030 0.000 1.007 473 S CA 0.779 58.997 58.200 0.030 0.000 0.965 473 S CB 0.091 63.313 63.200 0.037 0.000 0.773 473 S HN 0.092 nan 8.310 nan 0.000 0.504 474 Q N 0.462 120.281 119.800 0.032 0.000 2.280 474 Q HA 0.300 4.640 4.340 -0.000 0.000 0.201 474 Q C 1.194 177.208 176.000 0.023 0.000 0.890 474 Q CA 0.565 56.386 55.803 0.030 0.000 0.947 474 Q CB 0.323 29.085 28.738 0.040 0.000 1.081 474 Q HN 0.797 nan 8.270 nan 0.000 0.502 475 G N 1.983 110.795 108.800 0.020 0.000 2.147 475 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 475 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 475 G C 0.063 174.971 174.900 0.013 0.000 1.005 475 G CA -0.178 44.931 45.100 0.015 0.000 0.713 475 G HN 0.088 nan 8.290 nan 0.000 0.515 476 R N 0.054 120.563 120.500 0.015 0.000 3.057 476 R HA 0.336 4.676 4.340 -0.000 0.000 0.291 476 R C 1.131 177.436 176.300 0.009 0.000 1.394 476 R CA -0.553 55.554 56.100 0.012 0.000 1.630 476 R CB 0.564 30.873 30.300 0.015 0.000 1.268 476 R HN 0.396 nan 8.270 nan 0.000 0.621 477 K N 0.887 121.291 120.400 0.006 0.000 2.418 477 K HA -0.070 4.250 4.320 -0.000 0.000 0.195 477 K C 1.049 177.649 176.600 -0.001 0.000 1.035 477 K CA 0.922 57.211 56.287 0.003 0.000 1.003 477 K CB 0.484 32.986 32.500 0.004 0.000 0.793 477 K HN 0.363 nan 8.250 nan 0.000 0.494 478 D N 0.457 120.856 120.400 -0.002 0.000 2.269 478 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 478 D C 0.626 176.920 176.300 -0.010 0.000 0.963 478 D CA 0.393 54.389 54.000 -0.005 0.000 0.864 478 D CB -0.058 40.740 40.800 -0.004 0.000 0.936 478 D HN 0.164 nan 8.370 nan 0.000 0.505 479 I N 1.515 122.080 120.570 -0.009 0.000 2.452 479 I HA 0.023 4.193 4.170 -0.000 0.000 0.287 479 I C 0.830 176.935 176.117 -0.020 0.000 1.079 479 I CA -0.368 60.923 61.300 -0.015 0.000 1.387 479 I CB 0.660 38.654 38.000 -0.009 0.000 1.404 479 I HN -0.146 nan 8.210 nan 0.000 0.522 480 K N 7.312 127.694 120.400 -0.030 0.000 2.237 480 K HA 0.545 4.865 4.320 -0.000 0.000 0.270 480 K C -1.120 175.451 176.600 -0.049 0.000 1.015 480 K CA -0.392 55.873 56.287 -0.037 0.000 0.949 480 K CB 0.832 33.308 32.500 -0.041 0.000 0.976 480 K HN 0.533 nan 8.250 nan 0.000 0.472 481 L N 4.766 125.959 121.223 -0.050 0.000 2.354 481 L HA 0.527 4.867 4.340 -0.000 0.000 0.269 481 L C -0.568 176.253 176.870 -0.082 0.000 1.005 481 L CA -1.028 53.773 54.840 -0.065 0.000 0.819 481 L CB 1.872 43.904 42.059 -0.045 0.000 1.311 481 L HN 0.577 nan 8.230 nan 0.000 0.423 482 I N 1.417 121.915 120.570 -0.120 0.000 2.410 482 I HA 0.242 4.411 4.170 -0.000 0.000 0.286 482 I C -0.802 175.232 176.117 -0.137 0.000 1.009 482 I CA -0.406 60.814 61.300 -0.132 0.000 1.111 482 I CB 1.793 39.685 38.000 -0.179 0.000 1.262 482 I HN 0.486 nan 8.210 nan 0.000 0.443 483 D N 6.425 126.771 120.400 -0.091 0.000 2.249 483 D HA 0.243 4.883 4.640 -0.000 0.000 0.246 483 D C 0.786 177.044 176.300 -0.070 0.000 1.114 483 D CA -0.203 53.754 54.000 -0.072 0.000 0.854 483 D CB 1.466 42.239 40.800 -0.044 0.000 1.132 483 D HN 0.311 nan 8.370 nan 0.000 0.461 484 I N 2.882 123.417 120.570 -0.058 0.000 2.716 484 I HA 0.012 4.182 4.170 -0.000 0.000 0.259 484 I C 1.287 177.395 176.117 -0.015 0.000 1.172 484 I CA 0.564 61.853 61.300 -0.019 0.000 1.478 484 I CB -1.319 36.733 38.000 0.085 0.000 1.104 484 I HN 0.677 nan 8.210 nan 0.000 0.439 485 A N 1.567 124.363 122.820 -0.040 0.000 2.519 485 A HA -0.209 4.110 4.320 -0.000 0.000 0.297 485 A C 0.321 177.877 177.584 -0.046 0.000 1.472 485 A CA 0.297 52.306 52.037 -0.047 0.000 0.739 485 A CB -2.457 16.523 19.000 -0.032 0.000 1.096 485 A HN 0.380 nan 8.150 nan 0.000 0.414 486 L N 1.013 122.189 121.223 -0.077 0.000 2.397 486 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 486 L C 1.438 178.266 176.870 -0.070 0.000 1.148 486 L CA 0.273 55.073 54.840 -0.067 0.000 0.825 486 L CB 1.114 43.112 42.059 -0.101 0.000 1.117 486 L HN 0.818 nan 8.230 nan 0.000 0.456 487 S N 1.443 117.123 115.700 -0.034 0.000 2.576 487 S HA 0.024 4.494 4.470 -0.000 0.000 0.272 487 S C 0.965 175.551 174.600 -0.024 0.000 1.352 487 S CA -0.421 57.765 58.200 -0.024 0.000 1.021 487 S CB 1.039 64.234 63.200 -0.008 0.000 0.887 487 S HN 0.700 nan 8.310 nan 0.000 0.542 488 K N 1.546 121.939 120.400 -0.012 0.000 2.044 488 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 488 K C 2.085 178.700 176.600 0.025 0.000 1.049 488 K CA 2.404 58.695 56.287 0.007 0.000 0.927 488 K CB -1.118 31.393 32.500 0.019 0.000 0.713 488 K HN 0.798 nan 8.250 nan 0.000 0.443 489 T N 1.187 115.752 114.554 0.018 0.000 2.652 489 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 489 T C 1.216 175.928 174.700 0.021 0.000 1.039 489 T CA 1.740 63.851 62.100 0.018 0.000 1.153 489 T CB -0.476 68.397 68.868 0.007 0.000 0.863 489 T HN 0.320 nan 8.240 nan 0.000 0.428 490 D N 1.191 121.603 120.400 0.020 0.000 2.178 490 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 490 D C 2.485 178.828 176.300 0.073 0.000 0.980 490 D CA 1.382 55.404 54.000 0.035 0.000 0.842 490 D CB -0.513 40.307 40.800 0.032 0.000 0.948 490 D HN 0.518 nan 8.370 nan 0.000 0.472 491 S N 0.192 115.931 115.700 0.064 0.000 2.419 491 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 491 S C 1.637 176.397 174.600 0.266 0.000 1.016 491 S CA 0.618 58.901 58.200 0.138 0.000 0.974 491 S CB -0.085 63.116 63.200 0.003 0.000 0.786 491 S HN 0.176 nan 8.310 nan 0.000 0.492 492 R N 0.486 121.077 120.500 0.151 0.000 2.546 492 R HA 0.317 4.657 4.340 -0.000 0.000 0.320 492 R C 1.726 178.056 176.300 0.049 0.000 1.021 492 R CA -0.057 56.111 56.100 0.114 0.000 1.088 492 R CB 0.061 30.420 30.300 0.098 0.000 1.278 492 R HN 0.494 nan 8.270 nan 0.000 0.557 493 K N 0.523 120.933 120.400 0.016 0.000 2.074 493 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 493 K C 0.433 176.852 176.600 -0.302 0.000 1.048 493 K CA 1.689 57.875 56.287 -0.169 0.000 0.926 493 K CB 0.035 32.380 32.500 -0.257 0.000 0.713 493 K HN 0.191 nan 8.250 nan 0.000 0.444 494 Y N 0.627 120.931 120.300 0.007 0.000 2.571 494 Y HA 0.153 4.703 4.550 -0.000 0.000 0.275 494 Y C 1.659 177.546 175.900 -0.021 0.000 1.179 494 Y CA -0.182 57.911 58.100 -0.013 0.000 1.242 494 Y CB 0.276 38.716 38.460 -0.033 0.000 1.126 494 Y HN 0.252 nan 8.280 nan 0.000 0.524 495 E N 0.840 121.099 120.200 0.098 0.000 2.049 495 E HA -0.269 4.081 4.350 -0.000 0.000 0.198 495 E C 1.521 178.249 176.600 0.214 0.000 1.007 495 E CA 1.812 58.288 56.400 0.127 0.000 0.809 495 E CB 0.074 29.859 29.700 0.142 0.000 0.749 495 E HN 0.385 nan 8.360 nan 0.000 0.450 496 N N 0.067 118.855 118.700 0.146 0.000 2.188 496 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 496 N C 1.612 177.195 175.510 0.123 0.000 1.018 496 N CA 1.195 54.330 53.050 0.142 0.000 0.858 496 N CB -0.403 38.120 38.487 0.061 0.000 0.989 496 N HN 0.272 nan 8.380 nan 0.000 0.426 497 A N 0.649 123.528 122.820 0.098 0.000 1.902 497 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 497 A C 2.503 180.103 177.584 0.027 0.000 1.181 497 A CA 1.296 53.382 52.037 0.080 0.000 0.623 497 A CB -0.716 18.385 19.000 0.170 0.000 0.818 497 A HN 0.105 nan 8.150 nan 0.000 0.443 498 V N -2.303 117.625 119.914 0.023 0.000 2.307 498 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 498 V C 2.252 178.289 176.094 -0.094 0.000 1.045 498 V CA 1.769 64.024 62.300 -0.074 0.000 1.024 498 V CB -0.997 30.698 31.823 -0.213 0.000 0.651 498 V HN 0.801 nan 8.190 nan 0.000 0.449 499 W N 0.254 121.523 121.300 -0.051 0.000 2.363 499 W HA -0.134 4.526 4.660 -0.000 0.000 0.296 499 W C 2.295 178.770 176.519 -0.073 0.000 1.212 499 W CA 1.195 58.504 57.345 -0.060 0.000 1.260 499 W CB -0.372 29.051 29.460 -0.061 0.000 1.131 499 W HN 0.263 nan 8.180 nan 0.000 0.530 500 D N -0.573 119.907 120.400 0.134 0.000 2.123 500 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 500 D C 1.932 178.189 176.300 -0.072 0.000 0.992 500 D CA 1.498 55.517 54.000 0.030 0.000 0.833 500 D CB -0.466 40.338 40.800 0.006 0.000 0.954 500 D HN 0.284 nan 8.370 nan 0.000 0.455 501 Q N -1.432 118.243 119.800 -0.208 0.000 2.204 501 Q HA -0.066 4.274 4.340 -0.000 0.000 0.198 501 Q C 0.658 176.353 176.000 -0.509 0.000 0.946 501 Q CA 0.760 56.273 55.803 -0.482 0.000 0.859 501 Q CB 0.269 28.476 28.738 -0.884 0.000 0.946 501 Q HN 0.307 nan 8.270 nan 0.000 0.474 502 Y N -0.858 119.376 120.300 -0.110 0.000 2.612 502 Y HA 0.199 4.749 4.550 -0.000 0.000 0.250 502 Y C 1.306 177.120 175.900 -0.143 0.000 1.175 502 Y CA -0.288 57.708 58.100 -0.175 0.000 1.205 502 Y CB 0.495 38.754 38.460 -0.335 0.000 1.201 502 Y HN -0.003 nan 8.280 nan 0.000 0.532 503 K N 1.423 121.884 120.400 0.101 0.000 2.089 503 K HA -0.252 4.068 4.320 -0.000 0.000 0.210 503 K C 1.470 178.077 176.600 0.011 0.000 1.048 503 K CA 2.221 58.618 56.287 0.182 0.000 0.926 503 K CB -0.388 32.244 32.500 0.221 0.000 0.714 503 K HN 0.217 nan 8.250 nan 0.000 0.448 504 D N -0.383 120.029 120.400 0.019 0.000 2.311 504 D HA -0.113 4.527 4.640 -0.000 0.000 0.212 504 D C 1.405 177.730 176.300 0.043 0.000 0.972 504 D CA 0.824 54.838 54.000 0.024 0.000 0.887 504 D CB 0.036 40.922 40.800 0.143 0.000 0.915 504 D HN 0.358 nan 8.370 nan 0.000 0.497 505 L N -1.121 120.113 121.223 0.019 0.000 2.418 505 L HA 0.110 4.450 4.340 -0.000 0.000 0.218 505 L C 0.608 177.558 176.870 0.133 0.000 1.125 505 L CA -0.071 54.799 54.840 0.051 0.000 0.835 505 L CB 0.164 42.126 42.059 -0.162 0.000 0.953 505 L HN 0.160 nan 8.230 nan 0.000 0.454 506 C N -0.803 118.540 119.300 0.071 0.000 2.551 506 C HA 0.405 4.864 4.460 -0.000 0.000 0.332 506 C C 0.422 175.501 174.990 0.149 0.000 1.139 506 C CA -0.481 58.716 59.018 0.299 0.000 1.328 506 C CB 0.563 28.533 27.740 0.384 0.000 1.903 506 C HN 0.406 nan 8.230 nan 0.000 0.459 507 H N 3.669 122.933 119.070 0.323 0.000 2.528 507 H HA 0.224 4.780 4.556 -0.000 0.000 0.282 507 H C 1.174 176.575 175.328 0.121 0.000 1.097 507 H CA -0.081 56.090 56.048 0.205 0.000 1.121 507 H CB 0.457 30.285 29.762 0.111 0.000 1.590 507 H HN 0.590 nan 8.280 nan 0.000 0.553 508 M N 0.321 120.024 119.600 0.172 0.000 2.514 508 M HA 0.034 4.514 4.480 -0.000 0.000 0.258 508 M C -0.141 176.018 176.300 -0.234 0.000 1.119 508 M CA 0.770 55.989 55.300 -0.135 0.000 1.111 508 M CB 0.300 32.698 32.600 -0.336 0.000 1.390 508 M HN 0.192 nan 8.290 nan 0.000 0.475 509 H N 0.138 119.303 119.070 0.159 0.000 2.741 509 H HA 0.323 4.879 4.556 -0.000 0.000 0.282 509 H C 0.857 176.203 175.328 0.029 0.000 1.122 509 H CA 0.570 56.684 56.048 0.109 0.000 1.293 509 H CB 0.232 30.081 29.762 0.146 0.000 1.415 509 H HN 0.301 nan 8.280 nan 0.000 0.472 510 T N -0.532 114.069 114.554 0.078 0.000 2.964 510 T HA 0.156 4.505 4.350 -0.000 0.000 0.249 510 T C 1.279 175.979 174.700 0.000 0.000 1.000 510 T CA 0.012 62.129 62.100 0.027 0.000 0.992 510 T CB 0.449 69.323 68.868 0.011 0.000 1.087 510 T HN 0.441 nan 8.240 nan 0.000 0.489 511 G N 1.548 110.351 108.800 0.005 0.000 2.476 511 G HA2 0.510 4.470 3.960 -0.000 0.000 0.269 511 G HA3 0.510 4.470 3.960 -0.000 0.000 0.269 511 G C -0.420 174.444 174.900 -0.060 0.000 1.195 511 G CA -0.489 44.593 45.100 -0.030 0.000 0.843 511 G HN 0.317 nan 8.290 nan 0.000 0.545 512 V N 1.149 121.015 119.914 -0.080 0.000 2.529 512 V HA 0.137 4.257 4.120 -0.000 0.000 0.292 512 V C 0.372 176.384 176.094 -0.137 0.000 1.028 512 V CA -0.078 62.161 62.300 -0.101 0.000 1.074 512 V CB 0.991 32.759 31.823 -0.092 0.000 0.958 512 V HN 0.410 nan 8.190 nan 0.000 0.481 513 V N 6.327 126.154 119.914 -0.145 0.000 2.513 513 V HA 0.641 4.761 4.120 -0.000 0.000 0.299 513 V C -0.057 175.948 176.094 -0.149 0.000 1.035 513 V CA -0.435 61.755 62.300 -0.183 0.000 0.889 513 V CB 1.923 33.628 31.823 -0.197 0.000 0.988 513 V HN 0.773 nan 8.190 nan 0.000 0.440 514 V N 2.056 121.881 119.914 -0.150 0.000 3.001 514 V HA 0.879 4.999 4.120 -0.000 0.000 0.314 514 V C -0.711 175.422 176.094 0.065 0.000 1.099 514 V CA -0.763 61.504 62.300 -0.055 0.000 0.989 514 V CB 2.088 33.876 31.823 -0.060 0.000 1.040 514 V HN 1.026 nan 8.190 nan 0.000 0.434 515 E N 1.484 121.726 120.200 0.070 0.000 2.222 515 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 515 E C -0.917 175.732 176.600 0.081 0.000 0.884 515 E CA -1.045 55.416 56.400 0.102 0.000 0.764 515 E CB 2.418 32.154 29.700 0.061 0.000 1.169 515 E HN 0.694 nan 8.360 nan 0.000 0.413 523 E N 0.971 121.176 120.200 0.007 0.000 2.272 523 E HA 0.176 4.525 4.350 -0.000 0.000 0.269 523 E C -1.220 175.369 176.600 -0.018 0.000 0.877 523 E CA -0.963 55.433 56.400 -0.006 0.000 0.755 523 E CB 2.403 32.102 29.700 -0.003 0.000 1.192 523 E HN 0.484 nan 8.360 nan 0.000 0.422 524 E N 2.618 122.799 120.200 -0.033 0.000 2.384 524 E HA 0.174 4.524 4.350 -0.000 0.000 0.266 524 E C -0.040 176.530 176.600 -0.050 0.000 1.012 524 E CA 0.258 56.627 56.400 -0.051 0.000 0.901 524 E CB 0.568 30.232 29.700 -0.060 0.000 0.967 524 E HN 0.336 nan 8.360 nan 0.000 0.435 525 I N -1.692 118.839 120.570 -0.065 0.000 3.108 525 I HA 0.436 4.606 4.170 -0.000 0.000 0.312 525 I C -0.226 175.832 176.117 -0.099 0.000 1.095 525 I CA -1.113 60.152 61.300 -0.058 0.000 1.000 525 I CB 2.091 40.075 38.000 -0.027 0.000 1.229 525 I HN 0.129 nan 8.210 nan 0.000 0.454 526 T N 3.870 118.371 114.554 -0.088 0.000 2.888 526 T HA 0.253 4.603 4.350 -0.000 0.000 0.301 526 T C -2.316 172.311 174.700 -0.122 0.000 1.001 526 T CA -0.340 61.661 62.100 -0.166 0.000 1.147 526 T CB 0.135 68.896 68.868 -0.178 0.000 0.931 526 T HN 0.453 nan 8.240 nan 0.000 0.541 527 P HA 0.100 nan 4.420 nan 0.000 0.269 527 P C -0.361 176.977 177.300 0.064 0.000 1.215 527 P CA -0.155 62.872 63.100 -0.123 0.000 0.780 527 P CB 0.268 31.923 31.700 -0.075 0.000 0.898 528 H N -0.084 118.998 119.070 0.020 0.000 2.620 528 H HA 0.351 4.907 4.556 -0.000 0.000 0.313 528 H C -0.205 175.060 175.328 -0.106 0.000 1.075 528 H CA -0.805 55.259 56.048 0.027 0.000 1.397 528 H CB 0.575 30.381 29.762 0.074 0.000 1.446 528 H HN 0.392 nan 8.280 nan 0.000 0.493 529 C N 3.330 122.598 119.300 -0.053 0.000 2.379 529 C HA 0.545 5.004 4.460 -0.000 0.000 0.323 529 C C 1.723 176.630 174.990 -0.139 0.000 1.262 529 C CA -0.248 58.661 59.018 -0.181 0.000 1.581 529 C CB -0.502 27.064 27.740 -0.290 0.000 2.221 529 C HN 0.998 nan 8.230 nan 0.000 0.497 530 A N 4.035 126.838 122.820 -0.029 0.000 1.940 530 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 530 A C 1.838 179.256 177.584 -0.278 0.000 1.176 530 A CA 2.033 54.008 52.037 -0.103 0.000 0.631 530 A CB -0.546 18.430 19.000 -0.039 0.000 0.814 530 A HN 1.051 nan 8.150 nan 0.000 0.446 531 L N -0.978 119.988 121.223 -0.429 0.000 2.005 531 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 531 L C 2.314 178.753 176.870 -0.719 0.000 1.072 531 L CA 2.030 56.493 54.840 -0.629 0.000 0.744 531 L CB -0.570 40.919 42.059 -0.949 0.000 0.895 531 L HN 0.288 nan 8.230 nan 0.000 0.433 532 M N -0.683 118.452 119.600 -0.774 0.000 2.213 532 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 532 M C 1.911 177.725 176.300 -0.810 0.000 1.062 532 M CA 1.252 56.012 55.300 -0.901 0.000 1.105 532 M CB -1.508 30.312 32.600 -1.301 0.000 1.385 532 M HN 0.253 nan 8.290 nan 0.000 0.417 533 D N 0.059 120.008 120.400 -0.752 0.000 2.097 533 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 533 D C 2.215 177.775 176.300 -1.235 0.000 0.989 533 D CA 1.115 54.447 54.000 -1.112 0.000 0.827 533 D CB -0.363 39.929 40.800 -0.847 0.000 0.966 533 D HN 0.322 nan 8.370 nan 0.000 0.456 534 C N 0.420 119.305 119.300 -0.691 0.000 2.398 534 C HA -0.148 4.312 4.460 -0.000 0.000 0.276 534 C C 2.835 177.400 174.990 -0.708 0.000 1.222 534 C CA 0.330 59.049 59.018 -0.499 0.000 1.746 534 C CB -1.037 26.585 27.740 -0.195 0.000 2.039 534 C HN 0.342 nan 8.230 nan 0.000 0.470 535 I N 1.354 121.452 120.570 -0.787 0.000 2.202 535 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 535 I C 2.627 178.432 176.117 -0.520 0.000 1.091 535 I CA 2.034 62.887 61.300 -0.744 0.000 1.368 535 I CB -0.509 36.958 38.000 -0.889 0.000 1.058 535 I HN 0.465 nan 8.210 nan 0.000 0.410 536 M N -0.022 119.238 119.600 -0.566 0.000 2.200 536 M HA -0.134 4.346 4.480 -0.000 0.000 0.265 536 M C 1.931 178.097 176.300 -0.223 0.000 1.066 536 M CA 1.899 56.988 55.300 -0.352 0.000 1.127 536 M CB -0.499 31.904 32.600 -0.328 0.000 1.379 536 M HN -0.033 nan 8.290 nan 0.000 0.420 537 F N 1.695 121.369 119.950 -0.460 0.000 2.146 537 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 537 F C 2.200 177.597 175.800 -0.672 0.000 1.096 537 F CA 1.511 59.173 58.000 -0.563 0.000 1.275 537 F CB -1.509 37.012 39.000 -0.798 0.000 1.008 537 F HN 0.343 nan 8.300 nan 0.000 0.480 538 D N 0.006 119.949 120.400 -0.762 0.000 2.117 538 D HA -0.133 4.506 4.640 -0.000 0.000 0.197 538 D C 2.247 178.483 176.300 -0.107 0.000 0.987 538 D CA 1.327 55.106 54.000 -0.369 0.000 0.829 538 D CB -0.155 40.485 40.800 -0.266 0.000 0.961 538 D HN 0.103 nan 8.370 nan 0.000 0.460 539 A N 0.547 123.245 122.820 -0.204 0.000 1.908 539 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 539 A C 2.395 179.815 177.584 -0.273 0.000 1.181 539 A CA 2.296 54.133 52.037 -0.334 0.000 0.627 539 A CB -1.186 17.500 19.000 -0.524 0.000 0.818 539 A HN 0.343 nan 8.150 nan 0.000 0.445 540 A N -0.595 122.225 122.820 0.001 0.000 1.883 540 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 540 A C 2.244 179.915 177.584 0.145 0.000 1.186 540 A CA 1.959 54.118 52.037 0.204 0.000 0.624 540 A CB -0.992 18.143 19.000 0.226 0.000 0.822 540 A HN 0.441 nan 8.150 nan 0.000 0.444 541 V N -0.239 119.755 119.914 0.134 0.000 2.358 541 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 541 V C 2.504 178.659 176.094 0.102 0.000 1.047 541 V CA 2.272 64.665 62.300 0.155 0.000 1.035 541 V CB -0.605 31.381 31.823 0.271 0.000 0.658 541 V HN 0.531 nan 8.190 nan 0.000 0.452 542 S N -0.475 115.261 115.700 0.060 0.000 2.562 542 S HA 0.239 4.709 4.470 -0.000 0.000 0.221 542 S C 1.572 176.174 174.600 0.003 0.000 0.975 542 S CA 0.719 58.934 58.200 0.027 0.000 0.918 542 S CB 0.298 63.501 63.200 0.004 0.000 0.772 542 S HN 0.929 nan 8.310 nan 0.000 0.531 543 G N 0.931 109.740 108.800 0.015 0.000 2.176 543 G HA2 0.039 3.999 3.960 -0.000 0.000 0.252 543 G HA3 0.039 3.999 3.960 -0.000 0.000 0.252 543 G C 0.255 175.156 174.900 0.002 0.000 1.024 543 G CA 0.056 45.197 45.100 0.068 0.000 0.755 543 G HN 1.059 nan 8.290 nan 0.000 0.507 544 G N -2.001 106.628 108.800 -0.286 0.000 2.316 544 G HA2 0.604 4.564 3.960 -0.000 0.000 0.296 544 G HA3 0.604 4.564 3.960 -0.000 0.000 0.296 544 G C -1.216 173.383 174.900 -0.502 0.000 1.399 544 G CA 0.057 44.904 45.100 -0.421 0.000 0.833 544 G HN 1.352 nan 8.290 nan 0.000 0.565 549 V N 5.247 125.264 119.914 0.172 0.000 2.583 549 V HA 0.410 4.530 4.120 -0.000 0.000 0.287 549 V C 0.037 176.252 176.094 0.201 0.000 1.051 549 V CA -0.342 62.076 62.300 0.197 0.000 1.010 549 V CB 0.934 32.843 31.823 0.143 0.000 0.988 549 V HN 0.745 nan 8.190 nan 0.000 0.478 550 L N 5.669 127.023 121.223 0.219 0.000 2.416 550 L HA 0.582 4.922 4.340 -0.000 0.000 0.262 550 L C 0.390 177.425 176.870 0.276 0.000 1.093 550 L CA -0.139 54.837 54.840 0.227 0.000 0.801 550 L CB 1.071 43.184 42.059 0.090 0.000 1.191 550 L HN 0.544 nan 8.230 nan 0.000 0.459 551 R N 0.967 121.623 120.500 0.259 0.000 2.439 551 R HA 0.685 5.025 4.340 -0.000 0.000 0.310 551 R C -0.857 175.322 176.300 -0.201 0.000 0.955 551 R CA -0.824 55.335 56.100 0.098 0.000 0.853 551 R CB 1.574 31.912 30.300 0.063 0.000 1.171 551 R HN 0.708 nan 8.270 nan 0.000 0.449 552 A N 3.127 125.727 122.820 -0.367 0.000 2.396 552 A HA 0.172 4.492 4.320 -0.000 0.000 0.279 552 A C 1.289 178.661 177.584 -0.352 0.000 1.165 552 A CA -0.471 51.097 52.037 -0.781 0.000 0.824 552 A CB 0.462 19.229 19.000 -0.388 0.000 1.100 552 A HN 0.641 nan 8.150 nan 0.000 0.516 553 V N 3.789 123.501 119.914 -0.337 0.000 2.295 553 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 553 V C 1.132 177.172 176.094 -0.089 0.000 1.049 553 V CA 1.333 63.548 62.300 -0.142 0.000 1.024 553 V CB -0.785 30.985 31.823 -0.089 0.000 0.648 553 V HN 0.691 nan 8.190 nan 0.000 0.447 554 L N 1.792 122.965 121.223 -0.084 0.000 2.305 554 L HA 0.340 4.680 4.340 -0.000 0.000 0.281 554 L C -2.240 174.632 176.870 0.003 0.000 1.085 554 L CA -1.827 52.995 54.840 -0.031 0.000 0.813 554 L CB 0.561 42.617 42.059 -0.005 0.000 1.157 554 L HN 0.116 nan 8.230 nan 0.000 0.436 555 P HA 0.057 nan 4.420 nan 0.000 0.268 555 P C 0.328 177.699 177.300 0.118 0.000 1.205 555 P CA -0.264 62.876 63.100 0.066 0.000 0.771 555 P CB 0.654 32.390 31.700 0.060 0.000 0.858 556 R N 1.902 122.500 120.500 0.164 0.000 2.127 556 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 556 R C 0.618 177.084 176.300 0.277 0.000 1.134 556 R CA 1.727 57.979 56.100 0.253 0.000 0.975 556 R CB -0.286 30.140 30.300 0.208 0.000 0.865 556 R HN 0.432 nan 8.270 nan 0.000 0.447 557 D N -0.391 120.126 120.400 0.194 0.000 2.371 557 D HA -0.103 4.537 4.640 -0.000 0.000 0.221 557 D C 1.482 177.859 176.300 0.127 0.000 0.986 557 D CA 0.656 54.761 54.000 0.176 0.000 0.899 557 D CB 0.168 41.073 40.800 0.175 0.000 0.902 557 D HN 0.287 nan 8.370 nan 0.000 0.530 558 M N -0.694 118.968 119.600 0.103 0.000 2.534 558 M HA -0.006 4.474 4.480 -0.000 0.000 0.263 558 M C 1.194 177.518 176.300 0.040 0.000 1.152 558 M CA 0.546 55.868 55.300 0.037 0.000 1.145 558 M CB 0.550 33.142 32.600 -0.014 0.000 1.333 558 M HN -0.163 nan 8.290 nan 0.000 0.477 559 V N 0.497 120.477 119.914 0.110 0.000 2.591 559 V HA -0.015 4.105 4.120 -0.000 0.000 0.249 559 V C 0.321 176.328 176.094 -0.145 0.000 1.053 559 V CA 1.075 63.387 62.300 0.020 0.000 1.068 559 V CB -0.385 31.497 31.823 0.097 0.000 0.689 559 V HN 0.220 nan 8.190 nan 0.000 0.462 560 F N 0.073 120.090 119.950 0.111 0.000 2.522 560 F HA 0.613 5.140 4.527 -0.000 0.000 0.324 560 F C 0.673 176.510 175.800 0.062 0.000 1.077 560 F CA -1.099 56.955 58.000 0.091 0.000 0.944 560 F CB 1.245 40.295 39.000 0.083 0.000 1.175 560 F HN -0.031 nan 8.300 nan 0.000 0.468 561 R N 0.000 120.629 120.500 0.215 0.000 2.786 561 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 561 R CA 0.000 56.181 56.100 0.135 0.000 0.921 561 R CB 0.000 30.347 30.300 0.078 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535