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 2r4u_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQVLHVCSEM FPLLKTGGLA DVIGALPAAQ IADGVDARVL LPAFPDIRRG DATA SEQUENCE VTDAQVVSRR DTFAGHITLL FGHYNGVGIY LIDAPHLYDR PGSPYHDTNL DATA SEQUENCE FAYTDNVLRF ALLGWVGAEM ASGLDPFWRP DVVHAHDWHA GLAPAYLAAR DATA SEQUENCE GRPAKSVFTV HNLAYQGMFY AHHMNDIQLP WSFFNIHGLE FNGQISFLKA DATA SEQUENCE GLYYADHITA VSPTYAREIT EPQFAYGMEG LLQQRHREGR LSGVLNGVDE DATA SEQUENCE KIWSPETDLL LASRYTRDTL EDKAENKRQL QIAMGLKVDD KVPLFAVVSR DATA SEQUENCE LTSQKGLDLV LEALPGLLEQ GGQLALLGAG DPVLQEGFLA AAAEYPGQVG DATA SEQUENCE VQIGYHEAFS HRIMGGADVI LVPSRFEPCG LTQLYGLKYG TLPLVRRTGG DATA SEQUENCE LADTVSDCSL ENLADGVASG FVFEDSNAWS LLRAIRRAFV LWSRPSLWRF DATA SEQUENCE VQRQAMAMDF SWQVAAKSYR ELYYRLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.249 55.300 -0.085 0.000 0.988 1 M CB 0.000 32.522 32.600 -0.130 0.000 1.302 2 Q N 3.134 122.858 119.800 -0.128 0.000 2.333 2 Q HA 0.864 5.203 4.340 -0.000 0.000 0.268 2 Q C -1.357 174.558 176.000 -0.142 0.000 1.007 2 Q CA -0.921 54.834 55.803 -0.079 0.000 0.810 2 Q CB 2.791 31.292 28.738 -0.395 0.000 1.264 2 Q HN 0.598 nan 8.270 nan 0.000 0.452 3 V N 3.261 123.213 119.914 0.064 0.000 2.588 3 V HA 0.451 4.571 4.120 -0.000 0.000 0.304 3 V C -1.117 175.081 176.094 0.174 0.000 1.042 3 V CA -0.846 61.394 62.300 -0.101 0.000 0.877 3 V CB 1.908 33.508 31.823 -0.372 0.000 0.996 3 V HN 0.571 nan 8.190 nan 0.000 0.425 4 L N 4.690 125.972 121.223 0.098 0.000 2.298 4 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 4 L C -0.251 176.636 176.870 0.027 0.000 1.013 4 L CA 0.003 54.963 54.840 0.200 0.000 0.824 4 L CB 1.016 43.240 42.059 0.276 0.000 1.221 4 L HN 0.611 nan 8.230 nan 0.000 0.418 5 H N 4.512 123.692 119.070 0.184 0.000 2.646 5 H HA 0.425 4.981 4.556 0.000 0.000 0.325 5 H C -0.848 174.594 175.328 0.189 0.000 1.075 5 H CA -0.298 55.867 56.048 0.195 0.000 1.421 5 H CB 1.641 31.451 29.762 0.081 0.000 1.461 5 H HN 0.367 nan 8.280 nan 0.000 0.525 6 V N 4.369 124.503 119.914 0.366 0.000 2.378 6 V HA 0.316 4.436 4.120 -0.000 0.000 0.288 6 V C 0.197 176.482 176.094 0.318 0.000 1.016 6 V CA -0.536 61.931 62.300 0.279 0.000 0.840 6 V CB 0.849 32.821 31.823 0.249 0.000 0.994 6 V HN 1.040 nan 8.190 nan 0.000 0.431 7 C N 2.096 121.517 119.300 0.201 0.000 3.295 7 C HA 0.695 5.155 4.460 -0.000 0.000 0.341 7 C C 0.925 175.962 174.990 0.078 0.000 1.418 7 C CA 0.002 59.098 59.018 0.130 0.000 1.240 7 C CB 1.287 29.017 27.740 -0.016 0.000 1.562 7 C HN 0.823 nan 8.230 nan 0.000 0.457 8 S N -0.864 114.854 115.700 0.031 0.000 2.559 8 S HA 0.375 4.845 4.470 -0.000 0.000 0.226 8 S C -0.016 174.615 174.600 0.052 0.000 1.000 8 S CA 0.135 58.394 58.200 0.100 0.000 0.948 8 S CB -0.393 62.864 63.200 0.095 0.000 0.870 8 S HN 1.012 nan 8.310 nan 0.000 0.497 9 E N 0.306 120.478 120.200 -0.047 0.000 2.449 9 E HA 0.707 5.057 4.350 -0.000 0.000 0.278 9 E C -1.343 175.200 176.600 -0.094 0.000 0.992 9 E CA -1.179 55.177 56.400 -0.072 0.000 0.807 9 E CB 1.501 31.145 29.700 -0.093 0.000 1.350 9 E HN 0.205 nan 8.360 nan 0.000 0.462 10 M N 2.239 121.786 119.600 -0.088 0.000 2.298 10 M HA 0.287 4.767 4.480 -0.000 0.000 0.255 10 M C -1.993 174.274 176.300 -0.055 0.000 1.021 10 M CA -0.650 54.600 55.300 -0.084 0.000 0.968 10 M CB 1.436 33.954 32.600 -0.136 0.000 2.037 10 M HN 0.720 nan 8.290 nan 0.000 0.478 11 F N 8.120 128.025 119.950 -0.076 0.000 2.563 11 F HA 0.393 4.920 4.527 -0.000 0.000 0.363 11 F C -1.589 174.185 175.800 -0.042 0.000 1.123 11 F CA -0.604 57.382 58.000 -0.023 0.000 1.307 11 F CB 0.956 39.998 39.000 0.070 0.000 1.115 11 F HN 0.432 nan 8.300 nan 0.000 0.592 12 P HA 0.044 nan 4.420 nan 0.000 0.262 12 P C 1.264 178.201 177.300 -0.605 0.000 1.304 12 P CA 0.611 62.881 63.100 -1.383 0.000 0.859 12 P CB 0.184 31.122 31.700 -1.272 0.000 1.310 13 L N -1.072 119.858 121.223 -0.489 0.000 2.044 13 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 13 L C 0.927 177.648 176.870 -0.247 0.000 1.075 13 L CA 1.070 55.676 54.840 -0.389 0.000 0.747 13 L CB -0.227 41.551 42.059 -0.468 0.000 0.903 13 L HN 0.050 nan 8.230 nan 0.000 0.435 14 L N -0.138 120.966 121.223 -0.199 0.000 2.505 14 L HA 0.417 4.757 4.340 -0.000 0.000 0.266 14 L C -0.876 175.925 176.870 -0.115 0.000 0.954 14 L CA -0.324 54.416 54.840 -0.167 0.000 0.852 14 L CB 1.582 43.538 42.059 -0.171 0.000 1.282 14 L HN -0.066 nan 8.230 nan 0.000 0.403 15 K N 1.924 122.256 120.400 -0.112 0.000 2.535 15 K HA 0.573 4.893 4.320 -0.000 0.000 0.250 15 K C -0.113 176.385 176.600 -0.171 0.000 0.948 15 K CA 0.278 56.542 56.287 -0.037 0.000 0.796 15 K CB 1.786 34.394 32.500 0.180 0.000 1.216 15 K HN 0.718 nan 8.250 nan 0.000 0.432 16 T N -0.429 114.070 114.554 -0.091 0.000 3.010 16 T HA 0.421 4.771 4.350 -0.000 0.000 0.257 16 T C 0.636 175.361 174.700 0.042 0.000 1.020 16 T CA 0.348 62.396 62.100 -0.088 0.000 0.938 16 T CB 0.613 69.486 68.868 0.008 0.000 1.049 16 T HN 0.635 nan 8.240 nan 0.000 0.522 17 G N -0.276 108.567 108.800 0.072 0.000 2.428 17 G HA2 0.454 4.414 3.960 -0.000 0.000 0.305 17 G HA3 0.454 4.414 3.960 -0.000 0.000 0.305 17 G C 0.667 175.613 174.900 0.076 0.000 1.260 17 G CA -0.053 45.101 45.100 0.090 0.000 0.853 17 G HN 0.189 nan 8.290 nan 0.000 0.480 18 G N -0.303 108.523 108.800 0.043 0.000 2.448 18 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 18 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 18 G C 1.720 176.661 174.900 0.068 0.000 1.127 18 G CA 1.160 46.288 45.100 0.046 0.000 0.766 18 G HN 0.547 nan 8.290 nan 0.000 0.552 19 L N 0.523 121.753 121.223 0.012 0.000 2.043 19 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 19 L C 3.180 179.995 176.870 -0.092 0.000 1.075 19 L CA 1.857 56.630 54.840 -0.112 0.000 0.752 19 L CB -0.483 41.424 42.059 -0.253 0.000 0.891 19 L HN 0.345 nan 8.230 nan 0.000 0.432 20 A N -0.295 122.514 122.820 -0.019 0.000 1.908 20 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 20 A C 1.818 179.463 177.584 0.102 0.000 1.181 20 A CA 2.014 54.071 52.037 0.035 0.000 0.627 20 A CB -0.629 18.435 19.000 0.107 0.000 0.818 20 A HN 0.498 nan 8.150 nan 0.000 0.445 21 D N -0.193 120.285 120.400 0.130 0.000 2.104 21 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 21 D C 2.130 178.486 176.300 0.094 0.000 0.994 21 D CA 1.536 55.621 54.000 0.142 0.000 0.830 21 D CB -0.629 40.284 40.800 0.188 0.000 0.959 21 D HN 0.214 nan 8.370 nan 0.000 0.452 22 V N 1.704 121.664 119.914 0.077 0.000 2.252 22 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 22 V C 2.443 178.282 176.094 -0.426 0.000 1.056 22 V CA 1.218 63.448 62.300 -0.116 0.000 1.022 22 V CB -0.376 31.502 31.823 0.093 0.000 0.641 22 V HN 0.191 nan 8.190 nan 0.000 0.445 23 I N 1.123 121.500 120.570 -0.323 0.000 2.394 23 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 23 I C 2.566 178.522 176.117 -0.268 0.000 1.136 23 I CA 1.816 62.884 61.300 -0.387 0.000 1.425 23 I CB -1.971 35.833 38.000 -0.328 0.000 1.079 23 I HN 0.418 nan 8.210 nan 0.000 0.425 24 G N 0.124 108.850 108.800 -0.122 0.000 2.509 24 G HA2 0.036 3.996 3.960 -0.000 0.000 0.218 24 G HA3 0.036 3.996 3.960 -0.000 0.000 0.218 24 G C 1.589 176.454 174.900 -0.059 0.000 1.124 24 G CA 0.932 46.038 45.100 0.010 0.000 0.776 24 G HN 0.508 nan 8.290 nan 0.000 0.547 25 A N -0.653 121.998 122.820 -0.282 0.000 2.009 25 A HA 0.444 4.763 4.320 -0.000 0.000 0.197 25 A C 1.995 179.183 177.584 -0.661 0.000 1.471 25 A CA 0.170 51.961 52.037 -0.410 0.000 0.973 25 A CB -0.235 18.510 19.000 -0.425 0.000 1.020 25 A HN 0.190 nan 8.150 nan 0.000 0.476 26 L N 0.524 121.129 121.223 -1.030 0.000 1.989 26 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 26 L C -0.791 175.902 176.870 -0.294 0.000 1.071 26 L CA 2.223 56.598 54.840 -0.775 0.000 0.749 26 L CB -0.987 40.566 42.059 -0.843 0.000 0.890 26 L HN 0.193 nan 8.230 nan 0.000 0.431 27 P HA -0.186 nan 4.420 nan 0.000 0.216 27 P C 1.349 178.660 177.300 0.018 0.000 1.153 27 P CA 1.981 65.039 63.100 -0.070 0.000 0.858 27 P CB -0.086 31.566 31.700 -0.080 0.000 0.789 28 A N -0.343 122.468 122.820 -0.016 0.000 1.969 28 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 28 A C 2.283 179.912 177.584 0.076 0.000 1.169 28 A CA 1.787 53.844 52.037 0.035 0.000 0.635 28 A CB -1.491 17.523 19.000 0.024 0.000 0.810 28 A HN 0.192 nan 8.150 nan 0.000 0.445 29 A N -0.610 122.259 122.820 0.083 0.000 1.930 29 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 29 A C 2.099 179.794 177.584 0.184 0.000 1.175 29 A CA 1.549 53.687 52.037 0.167 0.000 0.627 29 A CB -0.463 18.699 19.000 0.269 0.000 0.815 29 A HN 0.643 nan 8.150 nan 0.000 0.443 30 Q N -0.715 119.196 119.800 0.185 0.000 2.172 30 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 30 Q C 1.950 178.076 176.000 0.210 0.000 0.964 30 Q CA 1.202 57.149 55.803 0.239 0.000 0.855 30 Q CB -0.227 28.690 28.738 0.299 0.000 0.918 30 Q HN 0.736 nan 8.270 nan 0.000 0.444 31 I N 0.616 121.287 120.570 0.169 0.000 2.252 31 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 31 I C 2.407 178.603 176.117 0.131 0.000 1.102 31 I CA 0.936 62.325 61.300 0.149 0.000 1.385 31 I CB -0.338 37.733 38.000 0.119 0.000 1.064 31 I HN 0.137 nan 8.210 nan 0.000 0.414 32 A N 0.137 123.029 122.820 0.120 0.000 1.940 32 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 32 A C 1.901 179.554 177.584 0.115 0.000 1.176 32 A CA 2.355 54.455 52.037 0.106 0.000 0.631 32 A CB -0.664 18.397 19.000 0.102 0.000 0.814 32 A HN 0.487 nan 8.150 nan 0.000 0.446 33 D N -2.187 118.298 120.400 0.142 0.000 2.328 33 D HA 0.305 4.945 4.640 -0.000 0.000 0.226 33 D C 0.967 177.362 176.300 0.158 0.000 1.066 33 D CA 1.007 55.094 54.000 0.144 0.000 0.861 33 D CB -0.188 40.710 40.800 0.164 0.000 0.912 33 D HN 0.571 nan 8.370 nan 0.000 0.521 34 G N -0.381 108.517 108.800 0.163 0.000 2.131 34 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.201 34 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.201 34 G C -0.132 174.902 174.900 0.223 0.000 1.000 34 G CA 0.046 45.249 45.100 0.172 0.000 0.680 34 G HN 0.276 nan 8.290 nan 0.000 0.514 35 V N 0.817 120.876 119.914 0.242 0.000 2.487 35 V HA 0.489 4.609 4.120 -0.000 0.000 0.298 35 V C -0.289 175.951 176.094 0.242 0.000 1.028 35 V CA -0.746 61.715 62.300 0.269 0.000 0.860 35 V CB 1.892 33.929 31.823 0.356 0.000 0.991 35 V HN 0.299 nan 8.190 nan 0.000 0.427 36 D N 4.566 125.110 120.400 0.240 0.000 2.416 36 D HA 0.384 5.024 4.640 -0.000 0.000 0.240 36 D C 0.196 176.698 176.300 0.336 0.000 1.250 36 D CA 0.155 54.324 54.000 0.283 0.000 0.967 36 D CB 0.807 41.817 40.800 0.349 0.000 1.059 36 D HN 0.709 nan 8.370 nan 0.000 0.512 37 A N 4.458 127.437 122.820 0.266 0.000 2.290 37 A HA 0.725 5.045 4.320 -0.000 0.000 0.310 37 A C 0.198 177.896 177.584 0.190 0.000 1.202 37 A CA -0.605 51.594 52.037 0.270 0.000 0.837 37 A CB 0.740 19.918 19.000 0.296 0.000 1.139 37 A HN 0.575 nan 8.150 nan 0.000 0.509 38 R N 0.584 121.196 120.500 0.187 0.000 2.888 38 R HA 0.709 5.049 4.340 -0.000 0.000 0.266 38 R C -1.466 174.944 176.300 0.183 0.000 1.020 38 R CA -0.588 55.544 56.100 0.055 0.000 0.963 38 R CB 2.517 32.644 30.300 -0.288 0.000 1.197 38 R HN 0.492 nan 8.270 nan 0.000 0.481 39 V N 2.451 122.447 119.914 0.136 0.000 2.604 39 V HA 0.443 4.563 4.120 -0.000 0.000 0.305 39 V C -1.150 175.059 176.094 0.191 0.000 1.043 39 V CA -0.858 61.533 62.300 0.150 0.000 0.888 39 V CB 1.773 33.615 31.823 0.032 0.000 0.995 39 V HN 0.476 nan 8.190 nan 0.000 0.429 40 L N 6.303 127.634 121.223 0.180 0.000 2.305 40 L HA 0.758 5.098 4.340 -0.000 0.000 0.284 40 L C -1.001 175.901 176.870 0.054 0.000 1.013 40 L CA 0.222 55.148 54.840 0.145 0.000 0.819 40 L CB 1.073 43.198 42.059 0.111 0.000 1.227 40 L HN 0.584 nan 8.230 nan 0.000 0.417 41 L N 6.076 127.287 121.223 -0.020 0.000 2.388 41 L HA 0.673 5.013 4.340 -0.000 0.000 0.264 41 L C -2.295 174.387 176.870 -0.313 0.000 0.998 41 L CA -1.904 52.856 54.840 -0.133 0.000 0.817 41 L CB 2.336 44.313 42.059 -0.136 0.000 1.338 41 L HN 0.456 nan 8.230 nan 0.000 0.414 42 P HA 0.057 nan 4.420 nan 0.000 0.269 42 P C -0.703 175.983 177.300 -1.023 0.000 1.209 42 P CA -0.312 62.038 63.100 -1.251 0.000 0.776 42 P CB 0.656 30.901 31.700 -2.425 0.000 0.876 43 A N 3.592 125.987 122.820 -0.710 0.000 3.118 43 A HA 0.245 4.565 4.320 -0.000 0.000 0.256 43 A C 0.021 177.425 177.584 -0.300 0.000 1.667 43 A CA -0.436 51.384 52.037 -0.362 0.000 1.338 43 A CB -1.747 17.165 19.000 -0.147 0.000 1.127 43 A HN 0.423 nan 8.150 nan 0.000 0.634 44 F N 0.123 119.953 119.950 -0.200 0.000 2.595 44 F HA 0.106 4.633 4.527 -0.000 0.000 0.359 44 F C -0.921 174.807 175.800 -0.120 0.000 1.147 44 F CA -1.435 56.474 58.000 -0.151 0.000 1.341 44 F CB 0.252 39.130 39.000 -0.204 0.000 1.104 44 F HN 0.295 nan 8.300 nan 0.000 0.603 45 P HA -0.204 nan 4.420 nan 0.000 0.216 45 P C 0.994 178.286 177.300 -0.013 0.000 1.153 45 P CA 1.583 64.697 63.100 0.023 0.000 0.858 45 P CB 0.144 31.853 31.700 0.015 0.000 0.789 46 D N -1.003 119.383 120.400 -0.024 0.000 2.144 46 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 46 D C 2.022 178.259 176.300 -0.105 0.000 0.978 46 D CA 0.947 54.904 54.000 -0.072 0.000 0.833 46 D CB -0.493 40.247 40.800 -0.101 0.000 0.961 46 D HN 0.221 nan 8.370 nan 0.000 0.470 47 I N 0.497 121.017 120.570 -0.085 0.000 2.202 47 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 47 I C 2.526 178.564 176.117 -0.132 0.000 1.091 47 I CA 0.635 61.853 61.300 -0.137 0.000 1.368 47 I CB -0.176 37.759 38.000 -0.108 0.000 1.058 47 I HN -0.096 nan 8.210 nan 0.000 0.410 48 R N 2.235 122.680 120.500 -0.091 0.000 2.091 48 R HA -0.209 4.130 4.340 -0.000 0.000 0.238 48 R C 2.364 178.624 176.300 -0.067 0.000 1.136 48 R CA 1.996 58.050 56.100 -0.077 0.000 0.959 48 R CB -0.541 29.726 30.300 -0.054 0.000 0.856 48 R HN 0.458 nan 8.270 nan 0.000 0.437 49 R N -1.293 119.171 120.500 -0.061 0.000 2.148 49 R HA 0.094 4.434 4.340 -0.000 0.000 0.223 49 R C 2.104 178.376 176.300 -0.047 0.000 1.088 49 R CA 1.440 57.511 56.100 -0.048 0.000 0.985 49 R CB -0.799 29.477 30.300 -0.041 0.000 0.880 49 R HN 0.293 nan 8.270 nan 0.000 0.451 50 G N 1.055 109.806 108.800 -0.082 0.000 2.421 50 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 50 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 50 G C 0.437 175.360 174.900 0.039 0.000 1.143 50 G CA 0.251 45.313 45.100 -0.064 0.000 0.784 50 G HN 0.151 nan 8.290 nan 0.000 0.541 51 V N 2.699 122.595 119.914 -0.030 0.000 2.222 51 V HA 0.146 4.266 4.120 -0.000 0.000 0.253 51 V C 1.641 177.717 176.094 -0.030 0.000 1.210 51 V CA 0.614 62.908 62.300 -0.010 0.000 1.079 51 V CB -0.092 31.671 31.823 -0.100 0.000 1.265 51 V HN 0.449 nan 8.190 nan 0.000 0.494 52 T N -1.156 113.395 114.554 -0.005 0.000 3.055 52 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 52 T C 1.052 175.732 174.700 -0.034 0.000 1.111 52 T CA 0.917 63.004 62.100 -0.021 0.000 1.118 52 T CB -0.159 68.700 68.868 -0.015 0.000 0.909 52 T HN 0.671 nan 8.240 nan 0.000 0.501 53 D N 1.214 121.587 120.400 -0.044 0.000 2.388 53 D HA 0.330 4.970 4.640 -0.000 0.000 0.221 53 D C 0.479 176.738 176.300 -0.068 0.000 1.133 53 D CA -0.481 53.493 54.000 -0.043 0.000 0.831 53 D CB -0.323 40.464 40.800 -0.022 0.000 0.962 53 D HN 0.510 nan 8.370 nan 0.000 0.502 54 A N 0.687 123.453 122.820 -0.089 0.000 2.488 54 A HA 0.298 4.618 4.320 -0.000 0.000 0.249 54 A C 0.313 177.870 177.584 -0.045 0.000 1.083 54 A CA -0.069 51.903 52.037 -0.109 0.000 0.768 54 A CB 0.325 19.262 19.000 -0.104 0.000 1.017 54 A HN 0.256 nan 8.150 nan 0.000 0.496 55 Q N 1.399 121.190 119.800 -0.015 0.000 2.399 55 Q HA 0.473 4.812 4.340 -0.000 0.000 0.276 55 Q C -0.903 175.136 176.000 0.066 0.000 1.098 55 Q CA -1.111 54.709 55.803 0.030 0.000 0.827 55 Q CB 2.021 30.787 28.738 0.045 0.000 1.386 55 Q HN 0.467 nan 8.270 nan 0.000 0.443 56 V N 2.052 122.002 119.914 0.061 0.000 2.529 56 V HA -0.041 4.079 4.120 -0.000 0.000 0.292 56 V C 0.960 177.121 176.094 0.112 0.000 1.028 56 V CA 0.422 62.768 62.300 0.078 0.000 1.074 56 V CB 0.749 32.605 31.823 0.055 0.000 0.958 56 V HN 0.693 nan 8.190 nan 0.000 0.481 57 V N 3.472 123.472 119.914 0.142 0.000 2.581 57 V HA 0.167 4.287 4.120 -0.000 0.000 0.240 57 V C 0.713 176.887 176.094 0.133 0.000 1.054 57 V CA 1.287 63.691 62.300 0.172 0.000 1.076 57 V CB 0.620 32.581 31.823 0.231 0.000 0.748 57 V HN 0.979 nan 8.190 nan 0.000 0.474 58 S N -0.484 115.280 115.700 0.107 0.000 2.578 58 S HA 0.582 5.052 4.470 -0.000 0.000 0.272 58 S C -1.310 173.329 174.600 0.065 0.000 1.145 58 S CA -1.013 57.232 58.200 0.076 0.000 0.835 58 S CB 2.322 65.562 63.200 0.067 0.000 1.104 58 S HN 0.140 nan 8.310 nan 0.000 0.458 59 R N 1.000 121.527 120.500 0.045 0.000 2.460 59 R HA 0.667 5.007 4.340 -0.000 0.000 0.303 59 R C -0.567 175.766 176.300 0.056 0.000 0.968 59 R CA -0.693 55.426 56.100 0.032 0.000 0.889 59 R CB 1.247 31.536 30.300 -0.019 0.000 1.123 59 R HN 0.626 nan 8.270 nan 0.000 0.455 60 R N 0.792 121.344 120.500 0.088 0.000 2.740 60 R HA 0.278 4.618 4.340 -0.000 0.000 0.273 60 R C -0.917 175.474 176.300 0.152 0.000 0.998 60 R CA -0.979 55.193 56.100 0.119 0.000 0.900 60 R CB 1.976 32.382 30.300 0.177 0.000 1.223 60 R HN 0.543 nan 8.270 nan 0.000 0.466 61 D N -0.238 120.240 120.400 0.131 0.000 2.294 61 D HA 0.521 5.161 4.640 -0.000 0.000 0.250 61 D C -0.768 175.371 176.300 -0.269 0.000 1.058 61 D CA 0.372 54.365 54.000 -0.011 0.000 0.950 61 D CB 1.318 42.117 40.800 -0.002 0.000 1.158 61 D HN 0.273 nan 8.370 nan 0.000 0.453 62 T N 1.245 115.521 114.554 -0.463 0.000 2.853 62 T HA 0.170 4.520 4.350 -0.000 0.000 0.311 62 T C 0.632 174.958 174.700 -0.624 0.000 1.307 62 T CA -0.610 61.011 62.100 -0.797 0.000 1.019 62 T CB 0.457 68.707 68.868 -1.031 0.000 1.264 62 T HN 0.325 nan 8.240 nan 0.000 0.497 63 F N 0.524 120.196 119.950 -0.464 0.000 2.287 63 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 63 F C 1.651 177.319 175.800 -0.219 0.000 1.069 63 F CA 1.094 58.926 58.000 -0.281 0.000 1.372 63 F CB -0.436 38.425 39.000 -0.232 0.000 1.056 63 F HN 0.436 nan 8.300 nan 0.000 0.523 64 A N 0.073 122.477 122.820 -0.693 0.000 2.430 64 A HA 0.644 4.964 4.320 -0.000 0.000 0.243 64 A C 1.179 178.635 177.584 -0.213 0.000 1.254 64 A CA 0.317 52.143 52.037 -0.351 0.000 0.914 64 A CB -0.902 17.825 19.000 -0.454 0.000 0.998 64 A HN 1.052 nan 8.150 nan 0.000 0.515 65 G N -0.861 107.733 108.800 -0.343 0.000 2.549 65 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.404 65 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.404 65 G C -0.649 174.046 174.900 -0.342 0.000 1.292 65 G CA -0.484 44.387 45.100 -0.382 0.000 0.935 65 G HN 0.645 nan 8.290 nan 0.000 0.512 66 H N -0.366 118.620 119.070 -0.140 0.000 2.652 66 H HA 0.556 5.112 4.556 -0.000 0.000 0.349 66 H C 1.068 176.382 175.328 -0.024 0.000 1.099 66 H CA 0.518 56.511 56.048 -0.092 0.000 1.417 66 H CB 0.965 30.676 29.762 -0.084 0.000 1.457 66 H HN 0.730 nan 8.280 nan 0.000 0.568 67 I N -0.753 119.877 120.570 0.099 0.000 2.530 67 I HA 0.477 4.647 4.170 -0.000 0.000 0.297 67 I C -0.771 175.390 176.117 0.073 0.000 1.011 67 I CA -0.807 60.535 61.300 0.069 0.000 1.107 67 I CB 2.339 40.372 38.000 0.055 0.000 1.285 67 I HN 0.356 nan 8.210 nan 0.000 0.436 68 T N 6.843 121.433 114.554 0.060 0.000 2.743 68 T HA 0.392 4.742 4.350 -0.000 0.000 0.292 68 T C -0.304 174.440 174.700 0.073 0.000 0.972 68 T CA -0.295 61.838 62.100 0.055 0.000 0.967 68 T CB 1.013 69.903 68.868 0.037 0.000 0.926 68 T HN 0.487 nan 8.240 nan 0.000 0.459 69 L N 5.759 127.038 121.223 0.093 0.000 2.361 69 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 69 L C -0.779 176.180 176.870 0.148 0.000 1.113 69 L CA 0.053 54.969 54.840 0.126 0.000 0.849 69 L CB -0.153 41.986 42.059 0.133 0.000 1.155 69 L HN 0.550 nan 8.230 nan 0.000 0.452 70 L N 5.287 126.596 121.223 0.144 0.000 2.334 70 L HA 0.549 4.889 4.340 -0.000 0.000 0.270 70 L C -0.848 176.131 176.870 0.181 0.000 1.018 70 L CA -0.661 54.252 54.840 0.121 0.000 0.811 70 L CB 1.592 43.672 42.059 0.035 0.000 1.271 70 L HN 0.560 nan 8.230 nan 0.000 0.443 71 F N 0.354 120.248 119.950 -0.095 0.000 2.557 71 F HA 0.758 5.285 4.527 0.000 0.000 0.316 71 F C -0.095 175.514 175.800 -0.319 0.000 1.141 71 F CA -0.149 57.657 58.000 -0.323 0.000 0.922 71 F CB 1.824 40.559 39.000 -0.442 0.000 1.194 71 F HN 0.468 nan 8.300 nan 0.000 0.443 72 G N 3.107 111.225 108.800 -1.137 0.000 2.947 72 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 72 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 72 G C -2.101 171.966 174.900 -1.387 0.000 1.243 72 G CA -0.726 43.762 45.100 -1.021 0.000 0.802 72 G HN 0.666 nan 8.290 nan 0.000 0.560 73 H N -1.812 116.970 119.070 -0.480 0.000 2.768 73 H HA 0.632 5.188 4.556 -0.000 0.000 0.371 73 H C -1.955 173.286 175.328 -0.145 0.000 1.151 73 H CA -0.392 55.449 56.048 -0.345 0.000 1.165 73 H CB 2.514 32.103 29.762 -0.289 0.000 1.722 73 H HN 0.511 nan 8.280 nan 0.000 0.543 74 Y N 1.820 122.051 120.300 -0.114 0.000 2.361 74 Y HA 0.213 4.762 4.550 -0.000 0.000 0.328 74 Y C -0.460 175.397 175.900 -0.072 0.000 1.044 74 Y CA -0.976 57.062 58.100 -0.102 0.000 1.085 74 Y CB 0.942 39.323 38.460 -0.131 0.000 1.194 74 Y HN 0.778 nan 8.280 nan 0.000 0.438 75 N N 3.980 122.378 118.700 -0.503 0.000 2.727 75 N HA -0.207 4.532 4.740 -0.000 0.000 0.249 75 N C 0.972 176.414 175.510 -0.115 0.000 1.048 75 N CA 1.790 54.676 53.050 -0.273 0.000 0.714 75 N CB -1.149 37.258 38.487 -0.133 0.000 0.959 75 N HN 1.371 nan 8.380 nan 0.000 0.544 76 G N -2.372 106.363 108.800 -0.109 0.000 2.212 76 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.266 76 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.266 76 G C 0.168 175.081 174.900 0.020 0.000 0.978 76 G CA 0.881 45.947 45.100 -0.056 0.000 0.632 76 G HN 1.264 nan 8.290 nan 0.000 0.537 77 V N 0.770 120.699 119.914 0.025 0.000 2.481 77 V HA 0.830 4.950 4.120 -0.000 0.000 0.286 77 V C 0.889 176.956 176.094 -0.044 0.000 1.042 77 V CA 0.240 62.556 62.300 0.027 0.000 0.928 77 V CB 1.422 33.254 31.823 0.015 0.000 0.986 77 V HN 1.300 nan 8.190 nan 0.000 0.462 78 G N 6.761 115.512 108.800 -0.081 0.000 2.343 78 G HA2 0.473 4.433 3.960 -0.000 0.000 0.254 78 G HA3 0.473 4.433 3.960 -0.000 0.000 0.254 78 G C -0.463 174.219 174.900 -0.364 0.000 1.277 78 G CA -0.346 44.526 45.100 -0.380 0.000 0.909 78 G HN 0.676 nan 8.290 nan 0.000 0.502 79 I N 2.870 123.045 120.570 -0.658 0.000 2.410 79 I HA 0.245 4.415 4.170 -0.000 0.000 0.286 79 I C -0.853 175.038 176.117 -0.376 0.000 1.009 79 I CA -1.290 59.792 61.300 -0.363 0.000 1.111 79 I CB 1.271 39.105 38.000 -0.276 0.000 1.262 79 I HN 0.377 nan 8.210 nan 0.000 0.443 80 Y N 5.868 126.153 120.300 -0.025 0.000 2.310 80 Y HA 0.538 5.088 4.550 0.000 0.000 0.326 80 Y C 0.231 176.102 175.900 -0.049 0.000 1.151 80 Y CA -0.379 57.742 58.100 0.035 0.000 1.195 80 Y CB 1.423 39.926 38.460 0.072 0.000 1.210 80 Y HN 0.326 nan 8.280 nan 0.000 0.483 81 L N 4.853 126.142 121.223 0.111 0.000 2.356 81 L HA 0.488 4.828 4.340 -0.000 0.000 0.277 81 L C -0.790 176.085 176.870 0.009 0.000 0.996 81 L CA -0.759 54.073 54.840 -0.013 0.000 0.822 81 L CB 1.868 43.887 42.059 -0.067 0.000 1.256 81 L HN 0.554 nan 8.230 nan 0.000 0.413 82 I N 2.249 122.785 120.570 -0.057 0.000 2.278 82 I HA 0.067 4.237 4.170 -0.000 0.000 0.296 82 I C -0.083 176.054 176.117 0.035 0.000 1.121 82 I CA -0.111 61.197 61.300 0.012 0.000 1.267 82 I CB 0.341 38.369 38.000 0.047 0.000 1.447 82 I HN 0.498 nan 8.210 nan 0.000 0.509 83 D N 6.674 127.097 120.400 0.039 0.000 2.352 83 D HA 0.430 5.070 4.640 -0.000 0.000 0.245 83 D C -0.224 176.102 176.300 0.043 0.000 1.224 83 D CA -0.031 53.991 54.000 0.037 0.000 0.879 83 D CB 0.961 41.771 40.800 0.017 0.000 1.057 83 D HN 0.609 nan 8.370 nan 0.000 0.491 84 A N 5.169 127.999 122.820 0.016 0.000 2.984 84 A HA 0.420 4.740 4.320 -0.000 0.000 0.320 84 A C -1.955 175.471 177.584 -0.263 0.000 1.142 84 A CA -1.000 50.946 52.037 -0.151 0.000 0.772 84 A CB 1.134 19.888 19.000 -0.409 0.000 1.195 84 A HN 0.354 nan 8.150 nan 0.000 0.459 85 P HA -0.249 nan 4.420 nan 0.000 0.216 85 P C 1.436 178.666 177.300 -0.117 0.000 1.150 85 P CA 1.830 64.894 63.100 -0.060 0.000 0.843 85 P CB -0.155 31.549 31.700 0.008 0.000 0.787 86 H N -0.876 118.105 119.070 -0.148 0.000 2.489 86 H HA -0.031 4.525 4.556 -0.000 0.000 0.295 86 H C 1.508 176.692 175.328 -0.240 0.000 1.082 86 H CA 1.094 57.046 56.048 -0.160 0.000 1.295 86 H CB -1.076 28.602 29.762 -0.139 0.000 1.380 86 H HN 0.207 nan 8.280 nan 0.000 0.548 87 L N -1.146 119.549 121.223 -0.879 0.000 2.388 87 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 87 L C 1.462 177.965 176.870 -0.612 0.000 1.061 87 L CA 0.236 54.546 54.840 -0.883 0.000 0.834 87 L CB 0.045 41.278 42.059 -1.376 0.000 1.029 87 L HN 0.064 nan 8.230 nan 0.000 0.473 88 Y N -1.988 118.138 120.300 -0.291 0.000 2.430 88 Y HA 0.170 4.720 4.550 -0.000 0.000 0.254 88 Y C 0.761 176.625 175.900 -0.060 0.000 1.088 88 Y CA -1.134 56.855 58.100 -0.185 0.000 1.267 88 Y CB 0.073 38.303 38.460 -0.383 0.000 1.204 88 Y HN -0.058 nan 8.280 nan 0.000 0.515 89 D N 2.338 122.754 120.400 0.027 0.000 2.608 89 D HA 0.117 4.757 4.640 -0.000 0.000 0.224 89 D C -0.259 176.046 176.300 0.008 0.000 1.123 89 D CA 0.093 54.111 54.000 0.030 0.000 1.030 89 D CB -0.186 40.617 40.800 0.006 0.000 1.093 89 D HN 0.167 nan 8.370 nan 0.000 0.497 90 R N 2.157 122.671 120.500 0.024 0.000 2.750 90 R HA 0.531 4.871 4.340 -0.000 0.000 0.281 90 R C -2.487 173.837 176.300 0.040 0.000 0.972 90 R CA -1.755 54.349 56.100 0.008 0.000 0.912 90 R CB 1.161 31.410 30.300 -0.086 0.000 1.187 90 R HN 0.139 nan 8.270 nan 0.000 0.464 91 P HA 0.179 nan 4.420 nan 0.000 0.274 91 P C 0.629 177.945 177.300 0.026 0.000 1.237 91 P CA 0.423 63.543 63.100 0.033 0.000 0.793 91 P CB 0.737 32.462 31.700 0.041 0.000 0.977 92 G N 0.624 109.408 108.800 -0.026 0.000 2.523 92 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.271 92 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.271 92 G C 0.105 174.905 174.900 -0.166 0.000 1.146 92 G CA 0.199 45.262 45.100 -0.062 0.000 0.961 92 G HN 0.814 nan 8.290 nan 0.000 0.549 93 S N 2.429 118.002 115.700 -0.212 0.000 2.564 93 S HA 0.508 4.978 4.470 -0.000 0.000 0.278 93 S C -0.165 174.159 174.600 -0.461 0.000 1.333 93 S CA -0.097 57.848 58.200 -0.424 0.000 1.048 93 S CB 1.292 64.038 63.200 -0.756 0.000 0.900 93 S HN 0.535 nan 8.310 nan 0.000 0.505 94 P HA -0.016 nan 4.420 nan 0.000 0.223 94 P C 0.165 177.222 177.300 -0.406 0.000 1.151 94 P CA 1.102 63.542 63.100 -1.099 0.000 0.787 94 P CB -0.039 30.472 31.700 -1.981 0.000 0.788 95 Y N -0.444 119.833 120.300 -0.039 0.000 2.524 95 Y HA 0.148 4.698 4.550 -0.000 0.000 0.270 95 Y C 1.762 177.773 175.900 0.185 0.000 1.094 95 Y CA -0.141 58.089 58.100 0.217 0.000 1.276 95 Y CB -0.276 38.270 38.460 0.145 0.000 1.130 95 Y HN 0.162 nan 8.280 nan 0.000 0.536 96 H N -1.656 117.453 119.070 0.065 0.000 3.008 96 H HA 0.391 4.947 4.556 -0.000 0.000 0.354 96 H C -1.383 173.566 175.328 -0.631 0.000 1.252 96 H CA -0.965 54.876 56.048 -0.346 0.000 1.117 96 H CB 1.569 31.288 29.762 -0.073 0.000 1.857 96 H HN 0.075 nan 8.280 nan 0.000 0.547 97 D N -0.181 119.929 120.400 -0.483 0.000 2.447 97 D HA 0.032 4.672 4.640 -0.000 0.000 0.265 97 D C 1.256 177.624 176.300 0.113 0.000 1.250 97 D CA 0.216 54.120 54.000 -0.160 0.000 1.046 97 D CB 0.162 40.942 40.800 -0.032 0.000 1.095 97 D HN 0.612 nan 8.370 nan 0.000 0.555 98 T N -1.598 113.030 114.554 0.123 0.000 2.803 98 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 98 T C 1.049 175.811 174.700 0.104 0.000 1.052 98 T CA 1.530 63.701 62.100 0.118 0.000 1.136 98 T CB -0.820 68.108 68.868 0.100 0.000 0.864 98 T HN 0.481 nan 8.240 nan 0.000 0.467 99 N N 1.128 119.907 118.700 0.131 0.000 2.434 99 N HA 0.297 5.037 4.740 -0.000 0.000 0.196 99 N C -0.249 175.259 175.510 -0.005 0.000 1.183 99 N CA -0.136 52.999 53.050 0.141 0.000 0.849 99 N CB -0.080 38.592 38.487 0.309 0.000 0.992 99 N HN 0.000 nan 8.380 nan 0.000 0.460 100 L N -1.502 119.677 121.223 -0.073 0.000 4.560 100 L HA -0.213 4.127 4.340 -0.000 0.000 0.415 100 L C -0.832 175.784 176.870 -0.424 0.000 1.123 100 L CA 0.752 55.354 54.840 -0.396 0.000 0.991 100 L CB -2.580 39.205 42.059 -0.456 0.000 2.127 100 L HN 0.128 nan 8.230 nan 0.000 0.765 101 F N 0.546 120.455 119.950 -0.068 0.000 2.404 101 F HA 0.627 5.154 4.527 -0.000 0.000 0.345 101 F C 1.372 177.167 175.800 -0.008 0.000 1.110 101 F CA -0.273 57.713 58.000 -0.023 0.000 1.130 101 F CB 0.852 39.854 39.000 0.003 0.000 1.129 101 F HN 0.131 nan 8.300 nan 0.000 0.500 102 A N 4.164 127.128 122.820 0.239 0.000 2.587 102 A HA -0.007 4.313 4.320 -0.000 0.000 0.235 102 A C -0.643 177.077 177.584 0.226 0.000 1.044 102 A CA -0.063 52.125 52.037 0.252 0.000 0.754 102 A CB -0.557 18.610 19.000 0.278 0.000 0.968 102 A HN 0.681 nan 8.150 nan 0.000 0.509 103 Y N 1.237 121.747 120.300 0.350 0.000 2.610 103 Y HA 0.039 4.589 4.550 -0.000 0.000 0.332 103 Y C 2.248 178.306 175.900 0.263 0.000 1.201 103 Y CA 0.937 59.201 58.100 0.272 0.000 1.465 103 Y CB 0.538 39.140 38.460 0.237 0.000 1.283 103 Y HN 0.897 nan 8.280 nan 0.000 0.563 104 T N -2.862 111.916 114.554 0.372 0.000 2.962 104 T HA -0.175 4.175 4.350 -0.000 0.000 0.270 104 T C 0.770 175.627 174.700 0.261 0.000 1.088 104 T CA 1.236 63.511 62.100 0.292 0.000 1.127 104 T CB -0.198 68.809 68.868 0.231 0.000 0.883 104 T HN 0.732 nan 8.240 nan 0.000 0.493 105 D N 0.174 120.715 120.400 0.235 0.000 2.358 105 D HA 0.122 4.762 4.640 -0.000 0.000 0.224 105 D C 1.284 177.662 176.300 0.130 0.000 1.123 105 D CA -0.314 53.763 54.000 0.128 0.000 0.833 105 D CB -0.689 40.145 40.800 0.057 0.000 0.946 105 D HN 0.112 nan 8.370 nan 0.000 0.505 106 N N 0.686 119.570 118.700 0.307 0.000 2.132 106 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 106 N C 1.812 177.459 175.510 0.228 0.000 1.015 106 N CA 0.746 54.077 53.050 0.469 0.000 0.864 106 N CB -0.351 38.639 38.487 0.838 0.000 1.006 106 N HN 0.204 nan 8.380 nan 0.000 0.430 107 V N 0.076 119.827 119.914 -0.271 0.000 2.392 107 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 107 V C 1.879 177.910 176.094 -0.106 0.000 1.059 107 V CA 1.387 63.178 62.300 -0.848 0.000 1.051 107 V CB -0.208 30.953 31.823 -1.102 0.000 0.658 107 V HN 0.151 nan 8.190 nan 0.000 0.455 108 L N -0.241 120.970 121.223 -0.021 0.000 2.131 108 L HA 0.050 4.390 4.340 -0.000 0.000 0.206 108 L C 2.592 179.521 176.870 0.099 0.000 1.087 108 L CA 1.710 56.624 54.840 0.125 0.000 0.767 108 L CB -1.057 41.031 42.059 0.048 0.000 0.917 108 L HN 0.267 nan 8.230 nan 0.000 0.441 109 R N -1.425 119.059 120.500 -0.026 0.000 2.081 109 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 109 R C 2.128 178.378 176.300 -0.084 0.000 1.131 109 R CA 1.666 57.657 56.100 -0.182 0.000 0.960 109 R CB -0.366 29.739 30.300 -0.324 0.000 0.856 109 R HN 0.255 nan 8.270 nan 0.000 0.436 110 F N -0.384 119.843 119.950 0.462 0.000 2.530 110 F HA 0.203 4.730 4.527 -0.000 0.000 0.292 110 F C 2.444 178.674 175.800 0.718 0.000 1.109 110 F CA 0.247 58.596 58.000 0.582 0.000 1.450 110 F CB -0.188 39.180 39.000 0.613 0.000 1.114 110 F HN 0.003 nan 8.300 nan 0.000 0.560 111 A N 0.545 123.879 122.820 0.858 0.000 1.908 111 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 111 A C 2.094 180.108 177.584 0.717 0.000 1.181 111 A CA 1.661 54.111 52.037 0.688 0.000 0.627 111 A CB -1.025 18.296 19.000 0.535 0.000 0.818 111 A HN 0.348 nan 8.150 nan 0.000 0.445 112 L N -0.400 121.138 121.223 0.526 0.000 2.042 112 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 112 L C 2.269 179.335 176.870 0.328 0.000 1.076 112 L CA 1.665 56.653 54.840 0.246 0.000 0.749 112 L CB -0.472 41.563 42.059 -0.041 0.000 0.893 112 L HN 0.469 nan 8.230 nan 0.000 0.432 113 L N -0.958 120.486 121.223 0.368 0.000 1.989 113 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 113 L C 2.341 179.404 176.870 0.323 0.000 1.071 113 L CA 1.941 56.972 54.840 0.319 0.000 0.749 113 L CB -1.128 41.172 42.059 0.403 0.000 0.890 113 L HN 0.487 nan 8.230 nan 0.000 0.431 114 G N -1.190 107.861 108.800 0.418 0.000 2.418 114 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.217 114 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.217 114 G C 1.236 176.324 174.900 0.313 0.000 1.158 114 G CA 0.707 46.050 45.100 0.404 0.000 0.771 114 G HN 0.617 nan 8.290 nan 0.000 0.545 115 W N 0.981 122.273 121.300 -0.014 0.000 2.355 115 W HA -0.110 4.550 4.660 -0.000 0.000 0.309 115 W C 2.492 178.905 176.519 -0.177 0.000 1.206 115 W CA 1.887 58.964 57.345 -0.447 0.000 1.284 115 W CB -0.305 28.861 29.460 -0.489 0.000 1.145 115 W HN 0.034 nan 8.180 nan 0.000 0.502 116 V N 1.219 121.205 119.914 0.119 0.000 2.343 116 V HA -0.220 3.899 4.120 -0.000 0.000 0.247 116 V C 2.497 178.493 176.094 -0.164 0.000 1.051 116 V CA 2.001 64.271 62.300 -0.049 0.000 1.036 116 V CB -1.744 30.152 31.823 0.122 0.000 0.654 116 V HN 0.430 nan 8.190 nan 0.000 0.451 117 G N -0.064 108.712 108.800 -0.040 0.000 2.491 117 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 117 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 117 G C 1.763 176.607 174.900 -0.093 0.000 1.180 117 G CA 1.264 46.352 45.100 -0.019 0.000 0.774 117 G HN 0.624 nan 8.290 nan 0.000 0.562 118 A N 0.188 122.929 122.820 -0.132 0.000 1.898 118 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 118 A C 2.251 179.635 177.584 -0.333 0.000 1.181 118 A CA 1.904 53.834 52.037 -0.179 0.000 0.620 118 A CB -0.308 18.634 19.000 -0.097 0.000 0.819 118 A HN 0.271 nan 8.150 nan 0.000 0.442 119 E N -0.406 119.440 120.200 -0.589 0.000 2.110 119 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 119 E C 2.020 178.412 176.600 -0.347 0.000 0.988 119 E CA 0.938 56.972 56.400 -0.610 0.000 0.804 119 E CB -0.383 28.757 29.700 -0.933 0.000 0.745 119 E HN 0.490 nan 8.360 nan 0.000 0.458 120 M N 0.093 119.520 119.600 -0.288 0.000 2.144 120 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 120 M C 2.231 178.426 176.300 -0.175 0.000 1.067 120 M CA 1.322 56.496 55.300 -0.210 0.000 1.095 120 M CB -1.156 31.327 32.600 -0.196 0.000 1.365 120 M HN 0.038 nan 8.290 nan 0.000 0.406 121 A N -1.042 121.672 122.820 -0.176 0.000 2.070 121 A HA -0.063 4.256 4.320 -0.000 0.000 0.220 121 A C 2.196 179.685 177.584 -0.159 0.000 1.159 121 A CA 1.702 53.639 52.037 -0.167 0.000 0.656 121 A CB -0.477 18.441 19.000 -0.137 0.000 0.800 121 A HN 0.498 nan 8.150 nan 0.000 0.453 122 S N -1.867 113.734 115.700 -0.165 0.000 2.557 122 S HA 0.417 4.887 4.470 -0.000 0.000 0.223 122 S C 1.055 175.577 174.600 -0.129 0.000 0.969 122 S CA 0.545 58.661 58.200 -0.140 0.000 0.927 122 S CB 0.427 63.542 63.200 -0.142 0.000 0.806 122 S HN 1.576 nan 8.310 nan 0.000 0.489 123 G N 1.382 110.101 108.800 -0.136 0.000 2.141 123 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.195 123 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.195 123 G C 0.548 175.386 174.900 -0.104 0.000 1.012 123 G CA 0.129 45.158 45.100 -0.117 0.000 0.696 123 G HN 0.434 nan 8.290 nan 0.000 0.508 124 L N -0.220 120.933 121.223 -0.118 0.000 2.081 124 L HA -0.009 4.331 4.340 -0.000 0.000 0.212 124 L C 0.975 177.819 176.870 -0.042 0.000 1.080 124 L CA 2.095 56.881 54.840 -0.091 0.000 0.754 124 L CB 0.026 42.003 42.059 -0.138 0.000 0.893 124 L HN 0.383 nan 8.230 nan 0.000 0.433 125 D N -0.920 119.462 120.400 -0.030 0.000 2.373 125 D HA 0.164 4.804 4.640 -0.000 0.000 0.227 125 D C -1.776 174.512 176.300 -0.020 0.000 1.091 125 D CA -2.378 51.656 54.000 0.057 0.000 0.840 125 D CB 1.597 42.505 40.800 0.180 0.000 1.060 125 D HN -0.050 nan 8.370 nan 0.000 0.502 126 P HA -0.017 nan 4.420 nan 0.000 0.225 126 P C 0.582 177.565 177.300 -0.528 0.000 1.148 126 P CA 0.834 63.683 63.100 -0.419 0.000 0.779 126 P CB 0.017 31.307 31.700 -0.684 0.000 0.780 127 F N -4.265 115.716 119.950 0.052 0.000 2.721 127 F HA 0.322 4.849 4.527 0.000 0.000 0.301 127 F C 0.591 176.487 175.800 0.160 0.000 1.096 127 F CA -0.327 57.714 58.000 0.069 0.000 1.308 127 F CB 0.216 39.239 39.000 0.038 0.000 1.086 127 F HN -0.124 nan 8.300 nan 0.000 0.587 128 W N 0.722 122.048 121.300 0.044 0.000 3.707 128 W HA 0.509 5.169 4.660 0.000 0.000 0.294 128 W C -1.470 175.031 176.519 -0.031 0.000 1.248 128 W CA -1.256 56.097 57.345 0.014 0.000 1.217 128 W CB 1.014 30.483 29.460 0.016 0.000 1.306 128 W HN -0.348 nan 8.180 nan 0.000 0.532 129 R N 6.529 126.688 120.500 -0.567 0.000 2.515 129 R HA 0.500 4.840 4.340 -0.000 0.000 0.291 129 R C -2.689 173.024 176.300 -0.979 0.000 1.046 129 R CA -1.696 54.081 56.100 -0.538 0.000 0.914 129 R CB 2.484 32.587 30.300 -0.328 0.000 1.191 129 R HN 0.150 nan 8.270 nan 0.000 0.435 130 P HA 0.096 nan 4.420 nan 0.000 0.279 130 P C -0.644 176.403 177.300 -0.421 0.000 1.239 130 P CA -0.151 62.532 63.100 -0.696 0.000 0.789 130 P CB 1.191 32.717 31.700 -0.290 0.000 0.933 131 D N 0.586 120.760 120.400 -0.376 0.000 2.194 131 D HA 0.015 4.655 4.640 -0.000 0.000 0.204 131 D C 0.371 176.528 176.300 -0.238 0.000 0.964 131 D CA 1.296 55.131 54.000 -0.275 0.000 0.846 131 D CB 0.380 41.020 40.800 -0.266 0.000 0.962 131 D HN 0.141 nan 8.370 nan 0.000 0.490 132 V N 1.540 121.285 119.914 -0.282 0.000 2.588 132 V HA 0.227 4.347 4.120 -0.000 0.000 0.304 132 V C -0.087 175.879 176.094 -0.212 0.000 1.042 132 V CA -0.809 61.330 62.300 -0.269 0.000 0.877 132 V CB 2.765 34.310 31.823 -0.463 0.000 0.996 132 V HN -0.257 nan 8.190 nan 0.000 0.425 133 V N 3.999 123.846 119.914 -0.111 0.000 2.364 133 V HA 0.332 4.452 4.120 -0.000 0.000 0.272 133 V C -0.184 175.922 176.094 0.020 0.000 1.036 133 V CA -0.406 61.876 62.300 -0.029 0.000 0.880 133 V CB 0.917 32.746 31.823 0.010 0.000 0.991 133 V HN 0.923 nan 8.190 nan 0.000 0.460 134 H N 4.121 123.134 119.070 -0.095 0.000 2.661 134 H HA 0.682 5.238 4.556 0.000 0.000 0.290 134 H C 0.099 175.415 175.328 -0.021 0.000 1.082 134 H CA -0.456 55.543 56.048 -0.082 0.000 1.234 134 H CB 0.845 30.471 29.762 -0.226 0.000 1.387 134 H HN 0.819 nan 8.280 nan 0.000 0.476 135 A N 5.268 128.227 122.820 0.233 0.000 2.306 135 A HA 0.322 4.642 4.320 -0.000 0.000 0.314 135 A C -0.846 176.698 177.584 -0.067 0.000 1.164 135 A CA -0.612 51.569 52.037 0.240 0.000 0.822 135 A CB 0.571 19.835 19.000 0.439 0.000 1.130 135 A HN 0.846 nan 8.150 nan 0.000 0.496 136 H N 1.737 120.920 119.070 0.189 0.000 2.646 136 H HA 0.343 4.899 4.556 0.000 0.000 0.328 136 H C -0.849 174.524 175.328 0.074 0.000 0.998 136 H CA -0.025 56.064 56.048 0.067 0.000 1.225 136 H CB 1.234 31.010 29.762 0.023 0.000 1.457 136 H HN 0.928 nan 8.280 nan 0.000 0.505 137 D N 0.846 121.290 120.400 0.073 0.000 10.448 137 D HA -0.238 4.402 4.640 -0.000 0.000 0.360 137 D C 1.393 177.996 176.300 0.504 0.000 3.024 137 D CA 1.062 55.240 54.000 0.296 0.000 2.424 137 D CB -0.144 40.791 40.800 0.225 0.000 1.149 137 D HN 0.809 nan 8.370 nan 0.000 1.024 138 W N 1.081 122.578 121.300 0.329 0.000 2.325 138 W HA -0.252 4.408 4.660 -0.000 0.000 0.299 138 W C 1.675 178.364 176.519 0.284 0.000 1.215 138 W CA 1.627 59.130 57.345 0.264 0.000 1.244 138 W CB -1.182 28.309 29.460 0.052 0.000 1.140 138 W HN 0.569 nan 8.180 nan 0.000 0.523 139 H N 1.888 120.662 119.070 -0.493 0.000 2.431 139 H HA -0.075 4.481 4.556 0.000 0.000 0.297 139 H C 2.382 177.876 175.328 0.277 0.000 1.115 139 H CA 2.778 58.479 56.048 -0.578 0.000 1.277 139 H CB -0.660 28.613 29.762 -0.814 0.000 1.372 139 H HN 0.285 nan 8.280 nan 0.000 0.516 140 A N 0.310 123.402 122.820 0.455 0.000 2.430 140 A HA 0.329 4.649 4.320 -0.000 0.000 0.243 140 A C 2.376 180.267 177.584 0.510 0.000 1.254 140 A CA 0.426 52.752 52.037 0.481 0.000 0.914 140 A CB -0.321 18.930 19.000 0.418 0.000 0.998 140 A HN 0.450 nan 8.150 nan 0.000 0.515 141 G N 0.289 109.425 108.800 0.559 0.000 2.462 141 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 141 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 141 G C 1.299 176.258 174.900 0.099 0.000 1.121 141 G CA 0.982 46.273 45.100 0.318 0.000 0.758 141 G HN 0.454 nan 8.290 nan 0.000 0.559 142 L N 0.369 121.615 121.223 0.040 0.000 2.395 142 L HA 0.057 4.397 4.340 -0.000 0.000 0.218 142 L C 3.280 180.226 176.870 0.126 0.000 1.130 142 L CA 0.526 55.305 54.840 -0.102 0.000 0.826 142 L CB -0.381 41.539 42.059 -0.232 0.000 0.941 142 L HN 0.322 nan 8.230 nan 0.000 0.451 143 A N 1.391 124.369 122.820 0.263 0.000 1.892 143 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 143 A C -0.127 177.564 177.584 0.178 0.000 1.188 143 A CA 1.724 53.925 52.037 0.273 0.000 0.631 143 A CB -1.734 17.415 19.000 0.247 0.000 0.822 143 A HN 0.291 nan 8.150 nan 0.000 0.447 144 P HA -0.039 nan 4.420 nan 0.000 0.220 144 P C 1.579 178.891 177.300 0.020 0.000 1.148 144 P CA 1.613 64.779 63.100 0.110 0.000 0.803 144 P CB -0.087 31.698 31.700 0.143 0.000 0.782 145 A N -1.149 121.594 122.820 -0.128 0.000 1.873 145 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 145 A C 2.040 179.485 177.584 -0.232 0.000 1.186 145 A CA 1.335 53.073 52.037 -0.499 0.000 0.616 145 A CB -1.877 16.770 19.000 -0.588 0.000 0.823 145 A HN 0.138 nan 8.150 nan 0.000 0.442 146 Y N -0.768 119.522 120.300 -0.018 0.000 2.224 146 Y HA -0.171 4.379 4.550 -0.000 0.000 0.289 146 Y C 2.269 178.160 175.900 -0.015 0.000 1.146 146 Y CA 0.782 58.885 58.100 0.004 0.000 1.182 146 Y CB -0.274 38.198 38.460 0.019 0.000 0.983 146 Y HN 0.196 nan 8.280 nan 0.000 0.524 147 L N -0.059 121.236 121.223 0.120 0.000 1.994 147 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 147 L C 2.578 179.489 176.870 0.069 0.000 1.071 147 L CA 1.929 56.807 54.840 0.063 0.000 0.745 147 L CB -1.643 40.446 42.059 0.050 0.000 0.892 147 L HN 0.227 nan 8.230 nan 0.000 0.431 148 A N -0.725 122.138 122.820 0.071 0.000 1.892 148 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 148 A C 2.400 180.108 177.584 0.206 0.000 1.188 148 A CA 2.085 54.196 52.037 0.122 0.000 0.631 148 A CB -0.944 18.102 19.000 0.077 0.000 0.822 148 A HN 0.439 nan 8.150 nan 0.000 0.447 149 A N -1.547 121.408 122.820 0.226 0.000 2.067 149 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 149 A C 2.054 179.681 177.584 0.072 0.000 1.158 149 A CA 1.094 53.203 52.037 0.120 0.000 0.661 149 A CB -0.268 18.672 19.000 -0.099 0.000 0.801 149 A HN 0.356 nan 8.150 nan 0.000 0.452 150 R N -1.378 119.167 120.500 0.074 0.000 2.334 150 R HA 0.168 4.508 4.340 -0.000 0.000 0.216 150 R C 0.969 177.291 176.300 0.036 0.000 0.905 150 R CA 0.710 56.836 56.100 0.044 0.000 1.064 150 R CB -0.059 30.253 30.300 0.020 0.000 1.046 150 R HN 0.751 nan 8.270 nan 0.000 0.508 151 G N 2.052 110.886 108.800 0.056 0.000 2.142 151 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.225 151 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.225 151 G C -0.098 174.821 174.900 0.031 0.000 1.015 151 G CA 0.030 45.158 45.100 0.047 0.000 0.716 151 G HN 0.359 nan 8.290 nan 0.000 0.508 152 R N -2.211 118.309 120.500 0.033 0.000 3.205 152 R HA -0.188 4.151 4.340 -0.000 0.000 0.249 152 R C -0.911 175.384 176.300 -0.009 0.000 0.937 152 R CA 0.697 56.808 56.100 0.018 0.000 0.641 152 R CB -1.360 28.955 30.300 0.025 0.000 1.114 152 R HN 0.497 nan 8.270 nan 0.000 0.451 153 P HA -0.047 nan 4.420 nan 0.000 0.228 153 P C 0.034 177.292 177.300 -0.070 0.000 1.151 153 P CA 1.438 64.508 63.100 -0.049 0.000 0.770 153 P CB 0.480 32.142 31.700 -0.064 0.000 0.786 154 A N -0.977 121.805 122.820 -0.063 0.000 2.594 154 A HA 0.577 4.897 4.320 -0.000 0.000 0.291 154 A C -0.497 177.055 177.584 -0.052 0.000 1.105 154 A CA -0.765 51.223 52.037 -0.081 0.000 0.694 154 A CB 1.475 20.408 19.000 -0.112 0.000 1.291 154 A HN -0.265 nan 8.150 nan 0.000 0.410 155 K N 0.902 121.265 120.400 -0.061 0.000 2.168 155 K HA 0.550 4.870 4.320 -0.000 0.000 0.258 155 K C 0.035 176.621 176.600 -0.024 0.000 1.010 155 K CA 0.089 56.357 56.287 -0.031 0.000 0.929 155 K CB 1.237 33.718 32.500 -0.031 0.000 0.998 155 K HN 0.909 nan 8.250 nan 0.000 0.479 156 S N -0.973 114.737 115.700 0.016 0.000 2.538 156 S HA 0.462 4.932 4.470 -0.000 0.000 0.288 156 S C -0.616 174.020 174.600 0.061 0.000 1.108 156 S CA -0.952 57.270 58.200 0.037 0.000 0.971 156 S CB 1.595 64.841 63.200 0.076 0.000 1.041 156 S HN 0.369 nan 8.310 nan 0.000 0.483 157 V N 3.463 123.384 119.914 0.011 0.000 2.581 157 V HA 0.840 4.960 4.120 -0.000 0.000 0.303 157 V C -1.430 174.710 176.094 0.077 0.000 1.041 157 V CA -1.057 61.243 62.300 0.000 0.000 0.907 157 V CB 1.444 33.203 31.823 -0.107 0.000 0.994 157 V HN 0.954 nan 8.190 nan 0.000 0.442 158 F N 5.295 125.265 119.950 0.033 0.000 2.449 158 F HA 0.707 5.234 4.527 0.000 0.000 0.342 158 F C 0.085 175.970 175.800 0.142 0.000 1.127 158 F CA -0.050 58.008 58.000 0.097 0.000 0.975 158 F CB 1.818 40.886 39.000 0.113 0.000 1.146 158 F HN 0.792 nan 8.300 nan 0.000 0.444 159 T N 5.661 119.914 114.554 -0.501 0.000 2.779 159 T HA 0.500 4.850 4.350 -0.000 0.000 0.280 159 T C -1.103 173.366 174.700 -0.386 0.000 0.987 159 T CA -0.698 61.252 62.100 -0.249 0.000 0.966 159 T CB 1.153 70.093 68.868 0.120 0.000 0.933 159 T HN 0.697 nan 8.240 nan 0.000 0.442 160 V N 6.066 125.913 119.914 -0.112 0.000 2.385 160 V HA 0.402 4.522 4.120 -0.000 0.000 0.269 160 V C 0.643 176.835 176.094 0.163 0.000 1.043 160 V CA -0.026 62.345 62.300 0.118 0.000 0.906 160 V CB 0.154 32.155 31.823 0.297 0.000 0.995 160 V HN 1.072 nan 8.190 nan 0.000 0.467 161 H N 5.047 124.240 119.070 0.204 0.000 2.547 161 H HA 0.293 4.849 4.556 -0.000 0.000 0.272 161 H C 0.284 175.749 175.328 0.227 0.000 0.971 161 H CA 0.344 56.508 56.048 0.194 0.000 1.245 161 H CB 0.734 30.585 29.762 0.148 0.000 1.440 161 H HN 0.705 nan 8.280 nan 0.000 0.540 162 N N 0.432 119.414 118.700 0.470 0.000 2.839 162 N HA -0.022 4.718 4.740 -0.000 0.000 0.258 162 N C -0.320 175.548 175.510 0.597 0.000 1.150 162 N CA -0.190 53.185 53.050 0.542 0.000 0.957 162 N CB 1.332 40.146 38.487 0.546 0.000 1.560 162 N HN 0.003 nan 8.380 nan 0.000 0.588 163 L N 3.047 124.647 121.223 0.629 0.000 2.478 163 L HA 0.311 4.651 4.340 -0.000 0.000 0.223 163 L C 2.035 179.139 176.870 0.389 0.000 1.140 163 L CA 1.152 56.268 54.840 0.460 0.000 0.842 163 L CB -0.052 42.208 42.059 0.336 0.000 0.953 163 L HN 0.742 nan 8.230 nan 0.000 0.452 164 A N -1.774 121.249 122.820 0.338 0.000 2.206 164 A HA -0.043 4.277 4.320 -0.000 0.000 0.211 164 A C -0.011 177.331 177.584 -0.403 0.000 1.158 164 A CA 0.418 52.353 52.037 -0.170 0.000 0.761 164 A CB -0.578 18.296 19.000 -0.209 0.000 0.801 164 A HN 0.346 nan 8.150 nan 0.000 0.473 165 Y N -0.164 120.211 120.300 0.125 0.000 2.402 165 Y HA 0.389 4.939 4.550 0.000 0.000 0.332 165 Y C 0.995 176.867 175.900 -0.047 0.000 0.960 165 Y CA -0.481 57.651 58.100 0.053 0.000 1.228 165 Y CB 1.334 39.952 38.460 0.262 0.000 1.120 165 Y HN 0.231 nan 8.280 nan 0.000 0.491 166 Q N 2.340 121.993 119.800 -0.244 0.000 2.352 166 Q HA 0.202 4.542 4.340 -0.000 0.000 0.212 166 Q C 1.109 176.804 176.000 -0.509 0.000 0.888 166 Q CA 0.248 55.889 55.803 -0.270 0.000 0.934 166 Q CB 0.921 29.519 28.738 -0.233 0.000 1.093 166 Q HN 1.039 nan 8.270 nan 0.000 0.523 167 G N 2.369 110.400 108.800 -1.281 0.000 2.359 167 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.298 167 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.298 167 G C -0.153 174.146 174.900 -1.003 0.000 1.030 167 G CA -0.020 44.033 45.100 -1.746 0.000 1.149 167 G HN 0.062 nan 8.290 nan 0.000 0.512 168 M N 0.043 119.030 119.600 -1.022 0.000 2.146 168 M HA 0.600 5.080 4.480 -0.000 0.000 0.352 168 M C 0.075 175.780 176.300 -0.991 0.000 1.343 168 M CA -0.258 54.656 55.300 -0.643 0.000 1.115 168 M CB -0.030 32.319 32.600 -0.419 0.000 1.657 168 M HN 0.194 nan 8.290 nan 0.000 0.471 169 F N 1.379 121.252 119.950 -0.128 0.000 2.588 169 F HA 0.477 5.004 4.527 -0.000 0.000 0.314 169 F C -0.148 175.659 175.800 0.012 0.000 1.069 169 F CA -1.004 56.942 58.000 -0.091 0.000 0.931 169 F CB 1.099 40.100 39.000 0.003 0.000 1.260 169 F HN 0.380 nan 8.300 nan 0.000 0.465 170 Y N 0.711 121.170 120.300 0.265 0.000 2.702 170 Y HA 0.120 4.670 4.550 -0.000 0.000 0.336 170 Y C 1.436 177.300 175.900 -0.060 0.000 1.235 170 Y CA -0.009 58.115 58.100 0.041 0.000 1.492 170 Y CB 0.643 39.013 38.460 -0.149 0.000 1.308 170 Y HN 0.808 nan 8.280 nan 0.000 0.589 171 A N 2.282 125.199 122.820 0.162 0.000 1.978 171 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 171 A C 1.773 179.249 177.584 -0.181 0.000 1.170 171 A CA 2.078 54.056 52.037 -0.098 0.000 0.636 171 A CB -1.164 17.672 19.000 -0.273 0.000 0.810 171 A HN 1.034 nan 8.150 nan 0.000 0.448 172 H N -2.509 116.544 119.070 -0.028 0.000 2.489 172 H HA -0.094 4.462 4.556 -0.000 0.000 0.293 172 H C 1.572 176.866 175.328 -0.056 0.000 1.066 172 H CA 1.488 57.518 56.048 -0.030 0.000 1.305 172 H CB -0.659 29.055 29.762 -0.080 0.000 1.386 172 H HN 0.580 nan 8.280 nan 0.000 0.551 173 H N 0.240 119.172 119.070 -0.230 0.000 2.545 173 H HA -0.035 4.521 4.556 -0.000 0.000 0.282 173 H C 1.604 176.834 175.328 -0.164 0.000 1.020 173 H CA 0.989 56.969 56.048 -0.112 0.000 1.243 173 H CB 0.090 29.797 29.762 -0.093 0.000 1.377 173 H HN 0.411 nan 8.280 nan 0.000 0.581 174 M N 0.237 119.694 119.600 -0.239 0.000 2.260 174 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 174 M C 1.979 177.995 176.300 -0.473 0.000 1.066 174 M CA 0.769 55.715 55.300 -0.591 0.000 1.082 174 M CB -0.965 30.743 32.600 -1.487 0.000 1.388 174 M HN 0.380 nan 8.290 nan 0.000 0.419 175 N N 0.298 118.908 118.700 -0.150 0.000 2.223 175 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 175 N C 0.604 176.124 175.510 0.017 0.000 1.016 175 N CA 1.100 54.184 53.050 0.058 0.000 0.863 175 N CB 0.186 38.789 38.487 0.193 0.000 0.983 175 N HN 0.382 nan 8.380 nan 0.000 0.429 176 D N 0.236 120.644 120.400 0.014 0.000 2.367 176 D HA 0.040 4.680 4.640 -0.000 0.000 0.207 176 D C 1.497 177.702 176.300 -0.159 0.000 1.034 176 D CA 0.286 54.306 54.000 0.033 0.000 0.861 176 D CB 0.554 41.452 40.800 0.162 0.000 0.943 176 D HN 0.556 nan 8.370 nan 0.000 0.515 177 I N -2.434 117.924 120.570 -0.353 0.000 4.081 177 I HA 0.240 4.410 4.170 -0.000 0.000 0.333 177 I C 0.162 175.814 176.117 -0.774 0.000 1.413 177 I CA -0.226 60.595 61.300 -0.799 0.000 1.110 177 I CB 0.328 38.072 38.000 -0.427 0.000 1.082 177 I HN -0.278 nan 8.210 nan 0.000 0.402 178 Q N 1.593 121.137 119.800 -0.426 0.000 2.468 178 Q HA -0.116 4.224 4.340 -0.000 0.000 0.289 178 Q C -1.042 174.898 176.000 -0.099 0.000 1.299 178 Q CA 0.472 56.163 55.803 -0.187 0.000 0.838 178 Q CB -0.911 27.781 28.738 -0.077 0.000 1.195 178 Q HN 0.678 nan 8.270 nan 0.000 0.456 179 L N 0.156 121.226 121.223 -0.255 0.000 2.334 179 L HA 0.598 4.938 4.340 -0.000 0.000 0.273 179 L C -1.952 174.662 176.870 -0.427 0.000 1.013 179 L CA -2.331 52.283 54.840 -0.377 0.000 0.816 179 L CB 1.380 43.163 42.059 -0.460 0.000 1.278 179 L HN -0.030 nan 8.230 nan 0.000 0.431 180 P HA -0.088 nan 4.420 nan 0.000 0.262 180 P C -0.121 177.060 177.300 -0.199 0.000 1.182 180 P CA 0.291 63.144 63.100 -0.411 0.000 0.761 180 P CB 0.304 31.604 31.700 -0.667 0.000 0.795 181 W N 2.181 123.442 121.300 -0.066 0.000 2.341 181 W HA -0.206 4.455 4.660 0.000 0.000 0.283 181 W C 2.357 178.965 176.519 0.149 0.000 1.215 181 W CA 1.827 59.197 57.345 0.043 0.000 1.211 181 W CB -0.500 28.975 29.460 0.026 0.000 1.131 181 W HN 0.385 nan 8.180 nan 0.000 0.552 182 S N -1.191 114.725 115.700 0.359 0.000 2.507 182 S HA -0.177 4.292 4.470 -0.000 0.000 0.235 182 S C 1.590 176.483 174.600 0.488 0.000 0.988 182 S CA 0.652 59.077 58.200 0.376 0.000 0.944 182 S CB -0.843 62.538 63.200 0.301 0.000 0.762 182 S HN 0.111 nan 8.310 nan 0.000 0.526 183 F N 1.224 121.274 119.950 0.167 0.000 2.325 183 F HA 0.315 4.842 4.527 -0.000 0.000 0.299 183 F C 0.919 176.808 175.800 0.148 0.000 1.090 183 F CA -1.023 57.068 58.000 0.150 0.000 1.392 183 F CB -0.944 38.074 39.000 0.029 0.000 1.053 183 F HN 0.283 nan 8.300 nan 0.000 0.521 184 F N 2.548 122.640 119.950 0.236 0.000 2.662 184 F HA 0.170 4.697 4.527 -0.000 0.000 0.343 184 F C 0.277 176.169 175.800 0.154 0.000 1.302 184 F CA 0.109 58.207 58.000 0.162 0.000 1.142 184 F CB -0.640 38.462 39.000 0.169 0.000 1.524 184 F HN -0.117 nan 8.300 nan 0.000 0.668 185 N N 4.304 122.883 118.700 -0.202 0.000 2.598 185 N HA 0.189 4.929 4.740 -0.000 0.000 0.263 185 N C 0.767 176.091 175.510 -0.311 0.000 1.254 185 N CA -0.523 52.429 53.050 -0.163 0.000 0.863 185 N CB 1.346 39.826 38.487 -0.013 0.000 1.586 185 N HN 0.404 nan 8.380 nan 0.000 0.491 186 I N 0.758 121.167 120.570 -0.269 0.000 2.361 186 I HA -0.178 3.991 4.170 -0.000 0.000 0.251 186 I C 0.477 176.258 176.117 -0.561 0.000 1.133 186 I CA 0.925 62.010 61.300 -0.358 0.000 1.413 186 I CB -0.173 37.646 38.000 -0.302 0.000 1.073 186 I HN 0.338 nan 8.210 nan 0.000 0.424 187 H N 1.315 120.173 119.070 -0.352 0.000 2.799 187 H HA 0.406 4.962 4.556 -0.000 0.000 0.225 187 H C 0.530 175.207 175.328 -1.085 0.000 1.904 187 H CA 0.468 56.170 56.048 -0.576 0.000 1.344 187 H CB -0.254 29.409 29.762 -0.165 0.000 1.744 187 H HN 0.377 nan 8.280 nan 0.000 0.542 188 G N 0.586 108.545 108.800 -1.402 0.000 2.392 188 G HA2 0.053 4.013 3.960 -0.000 0.000 0.260 188 G HA3 0.053 4.013 3.960 -0.000 0.000 0.260 188 G C -0.195 174.330 174.900 -0.625 0.000 1.226 188 G CA -0.618 43.858 45.100 -1.039 0.000 0.913 188 G HN 0.226 nan 8.290 nan 0.000 0.483 189 L N -0.377 120.750 121.223 -0.161 0.000 2.611 189 L HA 0.510 4.850 4.340 -0.000 0.000 0.229 189 L C 0.659 177.488 176.870 -0.069 0.000 1.137 189 L CA -0.109 54.720 54.840 -0.019 0.000 0.901 189 L CB -0.168 41.988 42.059 0.162 0.000 1.098 189 L HN 0.476 nan 8.230 nan 0.000 0.456 190 E N 0.982 121.011 120.200 -0.285 0.000 2.331 190 E HA 0.275 4.625 4.350 -0.000 0.000 0.272 190 E C -1.627 174.903 176.600 -0.116 0.000 1.036 190 E CA -0.462 55.670 56.400 -0.446 0.000 0.864 190 E CB 0.886 29.994 29.700 -0.987 0.000 1.035 190 E HN 0.194 nan 8.360 nan 0.000 0.408 191 F N 4.904 124.738 119.950 -0.194 0.000 2.689 191 F HA 0.207 4.734 4.527 -0.000 0.000 0.332 191 F C -0.028 175.734 175.800 -0.063 0.000 1.209 191 F CA -0.670 57.260 58.000 -0.118 0.000 1.028 191 F CB 0.652 39.606 39.000 -0.076 0.000 1.291 191 F HN 0.788 nan 8.300 nan 0.000 0.500 192 N N 4.433 122.746 118.700 -0.644 0.000 2.727 192 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 192 N C 0.944 176.363 175.510 -0.151 0.000 1.048 192 N CA 0.947 53.717 53.050 -0.468 0.000 0.714 192 N CB -0.753 37.355 38.487 -0.631 0.000 0.959 192 N HN 1.625 nan 8.380 nan 0.000 0.544 193 G N -0.958 107.808 108.800 -0.056 0.000 2.168 193 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 193 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 193 G C -0.077 175.016 174.900 0.321 0.000 0.977 193 G CA 1.088 46.270 45.100 0.137 0.000 0.659 193 G HN 0.629 nan 8.290 nan 0.000 0.533 194 Q N -1.238 118.715 119.800 0.256 0.000 2.552 194 Q HA 0.701 5.041 4.340 -0.000 0.000 0.289 194 Q C 0.066 176.322 176.000 0.427 0.000 1.097 194 Q CA -1.191 54.830 55.803 0.363 0.000 0.812 194 Q CB 1.710 30.564 28.738 0.192 0.000 1.460 194 Q HN 0.289 nan 8.270 nan 0.000 0.452 195 I N 1.104 121.969 120.570 0.492 0.000 2.496 195 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 195 I C 0.048 176.387 176.117 0.370 0.000 1.080 195 I CA 0.288 61.864 61.300 0.459 0.000 1.404 195 I CB 0.985 39.293 38.000 0.513 0.000 1.403 195 I HN 0.289 nan 8.210 nan 0.000 0.539 196 S N 5.606 121.497 115.700 0.319 0.000 2.498 196 S HA 0.388 4.858 4.470 -0.000 0.000 0.317 196 S C 0.743 175.578 174.600 0.392 0.000 1.090 196 S CA -0.587 57.767 58.200 0.258 0.000 1.089 196 S CB 0.513 63.767 63.200 0.090 0.000 0.997 196 S HN 0.427 nan 8.310 nan 0.000 0.470 197 F N 3.525 123.589 119.950 0.190 0.000 2.186 197 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 197 F C 2.011 177.913 175.800 0.170 0.000 1.090 197 F CA 0.662 58.833 58.000 0.285 0.000 1.307 197 F CB -0.565 38.786 39.000 0.585 0.000 1.019 197 F HN 0.574 nan 8.300 nan 0.000 0.489 198 L N -0.087 121.335 121.223 0.332 0.000 1.989 198 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 198 L C 2.743 179.578 176.870 -0.059 0.000 1.071 198 L CA 1.694 56.635 54.840 0.169 0.000 0.749 198 L CB -0.411 41.727 42.059 0.133 0.000 0.890 198 L HN 0.031 nan 8.230 nan 0.000 0.431 199 K N 0.112 120.463 120.400 -0.081 0.000 2.074 199 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 199 K C 1.981 178.534 176.600 -0.078 0.000 1.048 199 K CA 1.649 57.862 56.287 -0.123 0.000 0.926 199 K CB -0.373 32.062 32.500 -0.110 0.000 0.713 199 K HN 0.442 nan 8.250 nan 0.000 0.444 200 A N 0.314 123.137 122.820 0.004 0.000 1.883 200 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 200 A C 2.452 180.033 177.584 -0.005 0.000 1.186 200 A CA 2.348 54.450 52.037 0.108 0.000 0.624 200 A CB -1.172 17.876 19.000 0.080 0.000 0.822 200 A HN 0.457 nan 8.150 nan 0.000 0.444 201 G N -0.262 108.329 108.800 -0.349 0.000 2.421 201 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 201 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 201 G C 1.562 176.033 174.900 -0.715 0.000 1.171 201 G CA 1.039 45.587 45.100 -0.920 0.000 0.775 201 G HN 0.438 nan 8.290 nan 0.000 0.543 202 L N -1.178 119.722 121.223 -0.539 0.000 2.083 202 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 202 L C 2.602 179.385 176.870 -0.145 0.000 1.083 202 L CA 1.278 56.008 54.840 -0.184 0.000 0.752 202 L CB -0.441 41.565 42.059 -0.088 0.000 0.899 202 L HN 0.314 nan 8.230 nan 0.000 0.433 203 Y N -0.731 119.391 120.300 -0.296 0.000 2.243 203 Y HA -0.211 4.339 4.550 -0.000 0.000 0.293 203 Y C 2.159 177.784 175.900 -0.459 0.000 1.124 203 Y CA 1.452 59.296 58.100 -0.427 0.000 1.159 203 Y CB -0.073 38.002 38.460 -0.642 0.000 1.008 203 Y HN 0.010 nan 8.280 nan 0.000 0.527 204 Y N -0.033 120.201 120.300 -0.109 0.000 2.510 204 Y HA 0.348 4.898 4.550 -0.000 0.000 0.273 204 Y C 1.469 177.298 175.900 -0.118 0.000 1.119 204 Y CA -0.164 57.852 58.100 -0.140 0.000 1.286 204 Y CB -0.345 38.068 38.460 -0.078 0.000 1.061 204 Y HN 0.061 nan 8.280 nan 0.000 0.542 205 A N 0.702 123.538 122.820 0.026 0.000 2.483 205 A HA -0.024 4.296 4.320 -0.000 0.000 0.238 205 A C 0.969 178.564 177.584 0.018 0.000 1.070 205 A CA -0.004 52.073 52.037 0.066 0.000 0.770 205 A CB 0.151 19.236 19.000 0.142 0.000 1.008 205 A HN 0.356 nan 8.150 nan 0.000 0.497 206 D N -0.393 120.040 120.400 0.056 0.000 2.144 206 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 206 D C 0.315 176.678 176.300 0.105 0.000 0.978 206 D CA 1.561 55.594 54.000 0.055 0.000 0.833 206 D CB 0.092 40.933 40.800 0.068 0.000 0.961 206 D HN 0.641 nan 8.370 nan 0.000 0.470 207 H N -0.768 118.321 119.070 0.032 0.000 2.974 207 H HA 0.385 4.941 4.556 -0.000 0.000 0.366 207 H C -1.104 174.275 175.328 0.084 0.000 1.155 207 H CA -0.523 55.551 56.048 0.044 0.000 1.186 207 H CB 1.458 31.246 29.762 0.044 0.000 1.799 207 H HN -0.193 nan 8.280 nan 0.000 0.541 208 I N 2.850 123.344 120.570 -0.127 0.000 2.412 208 I HA 0.240 4.410 4.170 -0.000 0.000 0.296 208 I C 0.256 176.440 176.117 0.113 0.000 0.987 208 I CA -0.404 60.939 61.300 0.071 0.000 1.180 208 I CB 2.034 40.060 38.000 0.043 0.000 1.340 208 I HN 0.374 nan 8.210 nan 0.000 0.455 209 T N 4.419 119.093 114.554 0.199 0.000 2.876 209 T HA 0.733 5.083 4.350 -0.000 0.000 0.289 209 T C -0.470 174.317 174.700 0.145 0.000 1.014 209 T CA -0.425 61.803 62.100 0.214 0.000 0.986 209 T CB 1.781 70.848 68.868 0.331 0.000 1.021 209 T HN 0.692 nan 8.240 nan 0.000 0.458 210 A N 1.910 124.803 122.820 0.120 0.000 2.313 210 A HA 0.732 5.052 4.320 -0.000 0.000 0.323 210 A C 0.820 178.474 177.584 0.116 0.000 1.133 210 A CA -0.502 51.614 52.037 0.131 0.000 0.847 210 A CB 1.094 20.177 19.000 0.138 0.000 1.308 210 A HN 0.643 nan 8.150 nan 0.000 0.475 211 V N 0.979 120.957 119.914 0.106 0.000 3.633 211 V HA 0.164 4.284 4.120 -0.000 0.000 0.283 211 V C 0.508 176.615 176.094 0.021 0.000 1.305 211 V CA 1.499 63.820 62.300 0.034 0.000 1.153 211 V CB -0.797 30.973 31.823 -0.088 0.000 0.950 211 V HN 1.042 nan 8.190 nan 0.000 0.432 212 S N -2.487 113.243 115.700 0.051 0.000 2.550 212 S HA 0.509 4.979 4.470 -0.000 0.000 0.270 212 S C -2.425 172.186 174.600 0.019 0.000 1.145 212 S CA -1.010 57.195 58.200 0.008 0.000 0.852 212 S CB 1.806 64.988 63.200 -0.029 0.000 1.119 212 S HN -0.088 nan 8.310 nan 0.000 0.465 213 P HA -0.133 nan 4.420 nan 0.000 0.216 213 P C 1.809 179.087 177.300 -0.038 0.000 1.153 213 P CA 2.442 65.527 63.100 -0.025 0.000 0.858 213 P CB -0.194 31.487 31.700 -0.032 0.000 0.789 214 T N -3.741 110.790 114.554 -0.038 0.000 2.942 214 T HA -0.171 4.179 4.350 -0.000 0.000 0.265 214 T C 1.860 176.517 174.700 -0.073 0.000 1.062 214 T CA 0.561 62.620 62.100 -0.069 0.000 1.139 214 T CB -1.180 67.638 68.868 -0.083 0.000 0.883 214 T HN -0.094 nan 8.240 nan 0.000 0.468 215 Y N 2.228 122.425 120.300 -0.172 0.000 2.207 215 Y HA 0.093 4.643 4.550 0.000 0.000 0.287 215 Y C 2.730 178.541 175.900 -0.147 0.000 1.156 215 Y CA 0.709 58.699 58.100 -0.182 0.000 1.182 215 Y CB -1.017 37.385 38.460 -0.098 0.000 0.979 215 Y HN 0.359 nan 8.280 nan 0.000 0.521 216 A N 0.233 123.002 122.820 -0.084 0.000 1.940 216 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 216 A C 2.357 179.806 177.584 -0.226 0.000 1.176 216 A CA 1.846 53.794 52.037 -0.149 0.000 0.631 216 A CB -0.501 18.461 19.000 -0.063 0.000 0.814 216 A HN 0.517 nan 8.150 nan 0.000 0.446 217 R N -0.598 119.774 120.500 -0.214 0.000 2.075 217 R HA -0.048 4.292 4.340 -0.000 0.000 0.226 217 R C 2.024 178.173 176.300 -0.251 0.000 1.114 217 R CA 1.298 57.254 56.100 -0.241 0.000 0.972 217 R CB -0.299 29.890 30.300 -0.185 0.000 0.869 217 R HN 0.650 nan 8.270 nan 0.000 0.437 218 E N 1.127 121.139 120.200 -0.313 0.000 2.153 218 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 218 E C 1.941 178.367 176.600 -0.291 0.000 0.988 218 E CA 1.170 57.338 56.400 -0.387 0.000 0.811 218 E CB -0.142 29.049 29.700 -0.849 0.000 0.746 218 E HN 0.480 nan 8.360 nan 0.000 0.466 219 I N -0.650 119.666 120.570 -0.424 0.000 3.291 219 I HA -0.033 4.137 4.170 -0.000 0.000 0.279 219 I C 1.983 177.970 176.117 -0.218 0.000 1.294 219 I CA 1.057 62.134 61.300 -0.373 0.000 1.428 219 I CB -0.395 37.292 38.000 -0.523 0.000 1.070 219 I HN -0.076 nan 8.210 nan 0.000 0.478 220 T N -1.867 112.576 114.554 -0.185 0.000 3.148 220 T HA 0.200 4.550 4.350 -0.000 0.000 0.253 220 T C 0.464 175.115 174.700 -0.082 0.000 1.134 220 T CA -0.086 61.938 62.100 -0.126 0.000 1.051 220 T CB -0.414 68.370 68.868 -0.140 0.000 0.959 220 T HN 0.541 nan 8.240 nan 0.000 0.525 221 E N 1.683 121.846 120.200 -0.061 0.000 2.191 221 E HA 0.288 4.637 4.350 -0.000 0.000 0.274 221 E C -2.043 174.512 176.600 -0.074 0.000 0.948 221 E CA -2.819 53.568 56.400 -0.021 0.000 0.802 221 E CB 1.915 31.662 29.700 0.078 0.000 1.137 221 E HN -0.035 nan 8.360 nan 0.000 0.397 222 P HA -0.261 nan 4.420 nan 0.000 0.217 222 P C 1.273 178.435 177.300 -0.230 0.000 1.148 222 P CA 1.286 64.310 63.100 -0.126 0.000 0.828 222 P CB 0.244 31.897 31.700 -0.079 0.000 0.783 223 Q N -1.647 117.995 119.800 -0.264 0.000 2.226 223 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 223 Q C 0.951 176.458 176.000 -0.822 0.000 0.975 223 Q CA 1.404 56.916 55.803 -0.485 0.000 0.866 223 Q CB -0.242 28.167 28.738 -0.548 0.000 0.915 223 Q HN 0.257 nan 8.270 nan 0.000 0.440 224 F N -2.229 117.426 119.950 -0.491 0.000 2.746 224 F HA 0.377 4.904 4.527 -0.000 0.000 0.313 224 F C 1.562 176.718 175.800 -1.073 0.000 1.095 224 F CA 0.193 57.770 58.000 -0.706 0.000 1.224 224 F CB 0.593 39.393 39.000 -0.334 0.000 1.060 224 F HN 0.062 nan 8.300 nan 0.000 0.584 225 A N -1.360 121.045 122.820 -0.692 0.000 2.197 225 A HA 0.144 4.463 4.320 -0.000 0.000 0.210 225 A C 0.321 177.688 177.584 -0.360 0.000 1.180 225 A CA -0.020 51.736 52.037 -0.468 0.000 0.846 225 A CB -0.886 17.977 19.000 -0.228 0.000 0.884 225 A HN 0.453 nan 8.150 nan 0.000 0.487 226 Y N -1.430 118.832 120.300 -0.064 0.000 3.491 226 Y HA -0.258 4.292 4.550 -0.000 0.000 0.215 226 Y C 1.481 177.444 175.900 0.104 0.000 1.219 226 Y CA 0.518 58.602 58.100 -0.026 0.000 1.485 226 Y CB -1.906 36.516 38.460 -0.063 0.000 1.450 226 Y HN 0.965 nan 8.280 nan 0.000 0.603 227 G N -2.136 106.770 108.800 0.176 0.000 2.253 227 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.209 227 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.209 227 G C 0.604 175.645 174.900 0.235 0.000 0.997 227 G CA 0.109 45.378 45.100 0.283 0.000 0.640 227 G HN 0.298 nan 8.290 nan 0.000 0.496 228 M N 1.673 121.308 119.600 0.060 0.000 2.495 228 M HA 0.135 4.615 4.480 -0.000 0.000 0.237 228 M C 2.254 178.530 176.300 -0.040 0.000 1.131 228 M CA 1.258 56.534 55.300 -0.040 0.000 1.032 228 M CB -0.225 32.284 32.600 -0.151 0.000 1.513 228 M HN 0.569 nan 8.290 nan 0.000 0.488 229 E N 0.824 121.002 120.200 -0.038 0.000 2.153 229 E HA -0.139 4.210 4.350 -0.000 0.000 0.194 229 E C 1.825 178.406 176.600 -0.031 0.000 0.988 229 E CA 1.792 58.160 56.400 -0.054 0.000 0.811 229 E CB -0.861 28.802 29.700 -0.061 0.000 0.746 229 E HN 0.436 nan 8.360 nan 0.000 0.466 230 G N 2.251 111.043 108.800 -0.014 0.000 2.421 230 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 230 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 230 G C 1.686 176.580 174.900 -0.010 0.000 1.171 230 G CA 0.878 45.972 45.100 -0.009 0.000 0.775 230 G HN 0.267 nan 8.290 nan 0.000 0.543 231 L N -0.200 121.015 121.223 -0.015 0.000 2.012 231 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 231 L C 2.909 179.763 176.870 -0.026 0.000 1.073 231 L CA 1.160 55.991 54.840 -0.015 0.000 0.748 231 L CB -0.187 41.861 42.059 -0.018 0.000 0.891 231 L HN 0.233 nan 8.230 nan 0.000 0.431 232 L N -0.765 120.437 121.223 -0.035 0.000 2.093 232 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 232 L C 2.640 179.503 176.870 -0.011 0.000 1.085 232 L CA 1.164 55.979 54.840 -0.041 0.000 0.755 232 L CB -0.382 41.634 42.059 -0.071 0.000 0.904 232 L HN 0.326 nan 8.230 nan 0.000 0.435 233 Q N -0.616 119.181 119.800 -0.004 0.000 2.096 233 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 233 Q C 2.230 178.255 176.000 0.041 0.000 0.982 233 Q CA 1.650 57.474 55.803 0.035 0.000 0.850 233 Q CB -0.185 28.564 28.738 0.019 0.000 0.901 233 Q HN 0.493 nan 8.270 nan 0.000 0.422 234 Q N 0.286 120.092 119.800 0.009 0.000 2.079 234 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 234 Q C 2.010 177.993 176.000 -0.028 0.000 0.974 234 Q CA 0.933 56.732 55.803 -0.007 0.000 0.840 234 Q CB 0.208 28.944 28.738 -0.004 0.000 0.898 234 Q HN 0.204 nan 8.270 nan 0.000 0.430 235 R N -0.348 120.132 120.500 -0.034 0.000 2.092 235 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 235 R C 2.197 178.478 176.300 -0.031 0.000 1.119 235 R CA 1.279 57.341 56.100 -0.063 0.000 0.970 235 R CB -0.989 29.257 30.300 -0.090 0.000 0.864 235 R HN 0.557 nan 8.270 nan 0.000 0.440 236 H N 1.201 120.221 119.070 -0.083 0.000 2.290 236 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 236 H C 1.886 177.186 175.328 -0.047 0.000 1.087 236 H CA 1.683 57.691 56.048 -0.067 0.000 1.291 236 H CB 0.231 29.957 29.762 -0.059 0.000 1.369 236 H HN 0.069 nan 8.280 nan 0.000 0.492 237 R N 0.334 120.705 120.500 -0.214 0.000 2.117 237 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 237 R C 2.192 178.394 176.300 -0.163 0.000 1.143 237 R CA 1.776 57.740 56.100 -0.227 0.000 0.968 237 R CB -0.123 30.115 30.300 -0.105 0.000 0.863 237 R HN 0.592 nan 8.270 nan 0.000 0.444 238 E N -0.651 119.482 120.200 -0.111 0.000 2.478 238 E HA -0.000 4.350 4.350 -0.000 0.000 0.198 238 E C 0.734 177.292 176.600 -0.070 0.000 1.046 238 E CA 0.389 56.740 56.400 -0.081 0.000 0.870 238 E CB 0.252 29.909 29.700 -0.073 0.000 0.818 238 E HN 0.533 nan 8.360 nan 0.000 0.527 239 G N 1.841 110.586 108.800 -0.093 0.000 2.198 239 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 239 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 239 G C 0.551 175.462 174.900 0.019 0.000 1.042 239 G CA 0.301 45.382 45.100 -0.031 0.000 0.791 239 G HN 0.260 nan 8.290 nan 0.000 0.502 240 R N -1.379 119.060 120.500 -0.101 0.000 2.543 240 R HA 0.442 4.782 4.340 -0.000 0.000 0.323 240 R C 0.055 175.950 176.300 -0.676 0.000 1.002 240 R CA -0.287 55.610 56.100 -0.339 0.000 1.106 240 R CB 0.689 30.873 30.300 -0.193 0.000 1.280 240 R HN 0.328 nan 8.270 nan 0.000 0.549 241 L N 0.741 121.765 121.223 -0.331 0.000 2.381 241 L HA 0.537 4.877 4.340 -0.000 0.000 0.274 241 L C -0.785 176.094 176.870 0.015 0.000 0.988 241 L CA -0.299 54.429 54.840 -0.187 0.000 0.824 241 L CB 1.951 43.980 42.059 -0.049 0.000 1.263 241 L HN 0.094 nan 8.230 nan 0.000 0.410 242 S N 2.251 118.013 115.700 0.103 0.000 2.625 242 S HA 0.946 5.415 4.470 -0.000 0.000 0.271 242 S C -0.560 174.091 174.600 0.086 0.000 1.161 242 S CA -0.333 57.951 58.200 0.140 0.000 0.820 242 S CB 1.332 64.666 63.200 0.223 0.000 1.137 242 S HN 0.975 nan 8.310 nan 0.000 0.470 243 G N -0.004 108.817 108.800 0.035 0.000 2.470 243 G HA2 0.620 4.580 3.960 -0.000 0.000 0.320 243 G HA3 0.620 4.580 3.960 -0.000 0.000 0.320 243 G C -1.440 173.441 174.900 -0.032 0.000 1.245 243 G CA -0.826 44.282 45.100 0.015 0.000 0.935 243 G HN 0.942 nan 8.290 nan 0.000 0.476 244 V N 3.588 123.475 119.914 -0.045 0.000 2.482 244 V HA 0.272 4.392 4.120 -0.000 0.000 0.295 244 V C -0.198 175.871 176.094 -0.041 0.000 1.026 244 V CA -0.830 61.386 62.300 -0.139 0.000 0.856 244 V CB 1.391 32.929 31.823 -0.474 0.000 1.001 244 V HN 0.725 nan 8.190 nan 0.000 0.424 245 L N 5.189 126.378 121.223 -0.056 0.000 2.453 245 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 245 L C 0.717 177.523 176.870 -0.107 0.000 1.182 245 L CA 0.739 55.542 54.840 -0.062 0.000 0.858 245 L CB 0.171 42.198 42.059 -0.054 0.000 1.120 245 L HN 0.692 nan 8.230 nan 0.000 0.474 246 N N 1.830 120.440 118.700 -0.150 0.000 2.381 246 N HA 0.328 5.068 4.740 -0.000 0.000 0.241 246 N C 0.126 175.148 175.510 -0.813 0.000 1.279 246 N CA 0.363 53.168 53.050 -0.409 0.000 0.896 246 N CB 0.407 38.816 38.487 -0.130 0.000 1.118 246 N HN 0.800 nan 8.380 nan 0.000 0.438 247 G N -0.672 106.980 108.800 -1.913 0.000 2.642 247 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 247 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 247 G C -0.975 173.445 174.900 -0.800 0.000 1.345 247 G CA -0.486 43.767 45.100 -1.413 0.000 1.043 247 G HN 0.443 nan 8.290 nan 0.000 0.528 248 V N -1.014 118.738 119.914 -0.270 0.000 2.604 248 V HA 0.542 4.662 4.120 -0.000 0.000 0.305 248 V C -1.080 175.248 176.094 0.390 0.000 1.043 248 V CA -0.963 61.465 62.300 0.214 0.000 0.888 248 V CB 1.877 33.889 31.823 0.314 0.000 0.995 248 V HN 0.588 nan 8.190 nan 0.000 0.429 249 D N 4.880 125.604 120.400 0.539 0.000 2.359 249 D HA 0.090 4.730 4.640 -0.000 0.000 0.250 249 D C 1.371 177.862 176.300 0.319 0.000 1.264 249 D CA 0.186 54.454 54.000 0.447 0.000 0.911 249 D CB 1.245 42.268 40.800 0.371 0.000 1.056 249 D HN 0.871 nan 8.370 nan 0.000 0.499 250 E N 4.255 124.605 120.200 0.248 0.000 2.265 250 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 250 E C 0.686 177.351 176.600 0.107 0.000 0.996 250 E CA 0.932 57.429 56.400 0.163 0.000 0.832 250 E CB -0.100 29.669 29.700 0.116 0.000 0.756 250 E HN 0.482 nan 8.360 nan 0.000 0.491 251 K N 0.377 120.845 120.400 0.113 0.000 2.283 251 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 251 K C 2.179 178.796 176.600 0.029 0.000 1.048 251 K CA 1.486 57.814 56.287 0.067 0.000 0.948 251 K CB -0.084 32.467 32.500 0.085 0.000 0.742 251 K HN 0.345 nan 8.250 nan 0.000 0.458 252 I N -4.202 116.382 120.570 0.023 0.000 4.338 252 I HA 0.131 4.301 4.170 -0.000 0.000 0.315 252 I C -0.261 175.674 176.117 -0.305 0.000 1.262 252 I CA -0.231 60.982 61.300 -0.145 0.000 1.298 252 I CB 0.528 38.441 38.000 -0.144 0.000 1.257 252 I HN -0.065 nan 8.210 nan 0.000 0.444 253 W N 2.796 124.109 121.300 0.021 0.000 2.147 253 W HA 0.690 5.351 4.660 0.001 0.000 0.325 253 W C -0.332 176.247 176.519 0.101 0.000 0.855 253 W CA -0.500 56.875 57.345 0.051 0.000 1.642 253 W CB 0.896 30.143 29.460 -0.356 0.000 1.750 253 W HN -0.099 nan 8.180 nan 0.000 0.359 254 S N 2.222 117.984 115.700 0.103 0.000 2.720 254 S HA 0.204 4.674 4.470 -0.000 0.000 0.278 254 S C -1.659 172.648 174.600 -0.488 0.000 1.172 254 S CA -0.910 57.160 58.200 -0.216 0.000 1.019 254 S CB 2.396 65.529 63.200 -0.112 0.000 1.049 254 S HN 0.093 nan 8.310 nan 0.000 0.483 255 P HA -0.064 nan 4.420 nan 0.000 0.225 255 P C 0.581 177.509 177.300 -0.620 0.000 1.148 255 P CA 0.954 63.434 63.100 -1.034 0.000 0.779 255 P CB 0.316 30.962 31.700 -1.757 0.000 0.780 256 E N -0.109 119.831 120.200 -0.434 0.000 2.150 256 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 256 E C 1.657 178.163 176.600 -0.157 0.000 0.985 256 E CA 1.919 58.171 56.400 -0.247 0.000 0.814 256 E CB -0.686 28.909 29.700 -0.174 0.000 0.752 256 E HN 0.405 nan 8.360 nan 0.000 0.466 257 T N -3.031 111.435 114.554 -0.147 0.000 3.058 257 T HA 0.084 4.433 4.350 -0.000 0.000 0.278 257 T C 0.241 174.893 174.700 -0.080 0.000 0.974 257 T CA -0.482 61.564 62.100 -0.090 0.000 0.893 257 T CB 0.097 68.924 68.868 -0.067 0.000 1.138 257 T HN -0.175 nan 8.240 nan 0.000 0.529 258 D N 2.046 122.392 120.400 -0.091 0.000 2.368 258 D HA 0.089 4.729 4.640 -0.000 0.000 0.268 258 D C 0.811 177.083 176.300 -0.046 0.000 1.298 258 D CA -0.555 53.413 54.000 -0.052 0.000 0.938 258 D CB 0.640 41.475 40.800 0.059 0.000 1.101 258 D HN 0.029 nan 8.370 nan 0.000 0.509 259 L N 4.144 125.321 121.223 -0.077 0.000 2.552 259 L HA 0.026 4.366 4.340 -0.000 0.000 0.227 259 L C 1.874 178.707 176.870 -0.061 0.000 1.146 259 L CA 0.731 55.535 54.840 -0.060 0.000 0.858 259 L CB -0.382 41.637 42.059 -0.066 0.000 0.969 259 L HN 0.570 nan 8.230 nan 0.000 0.451 260 L N -1.548 119.616 121.223 -0.097 0.000 2.558 260 L HA 0.026 4.366 4.340 -0.000 0.000 0.225 260 L C 0.238 177.120 176.870 0.019 0.000 1.128 260 L CA -0.290 54.502 54.840 -0.080 0.000 0.868 260 L CB -0.016 41.908 42.059 -0.225 0.000 1.006 260 L HN 0.049 nan 8.230 nan 0.000 0.454 261 L N -0.411 120.843 121.223 0.053 0.000 2.350 261 L HA 0.281 4.621 4.340 -0.000 0.000 0.275 261 L C 1.348 178.273 176.870 0.091 0.000 1.099 261 L CA 0.357 55.264 54.840 0.112 0.000 0.808 261 L CB 1.171 43.327 42.059 0.161 0.000 1.149 261 L HN -0.073 nan 8.230 nan 0.000 0.442 262 A N 2.063 124.945 122.820 0.102 0.000 1.940 262 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 262 A C 1.070 178.705 177.584 0.084 0.000 1.176 262 A CA 1.716 53.802 52.037 0.082 0.000 0.631 262 A CB -0.187 18.861 19.000 0.080 0.000 0.814 262 A HN 0.584 nan 8.150 nan 0.000 0.446 263 S N -1.296 114.477 115.700 0.122 0.000 2.677 263 S HA 0.562 5.032 4.470 -0.000 0.000 0.283 263 S C -0.507 174.218 174.600 0.208 0.000 1.159 263 S CA -0.774 57.506 58.200 0.134 0.000 1.001 263 S CB 0.786 64.056 63.200 0.118 0.000 1.032 263 S HN 0.460 nan 8.310 nan 0.000 0.487 264 R N 2.163 122.742 120.500 0.131 0.000 2.679 264 R HA 0.593 4.933 4.340 -0.000 0.000 0.269 264 R C -0.692 175.715 176.300 0.179 0.000 1.076 264 R CA -0.055 56.090 56.100 0.076 0.000 1.160 264 R CB 0.483 30.776 30.300 -0.012 0.000 1.054 264 R HN 0.735 nan 8.270 nan 0.000 0.507 265 Y N -3.135 117.153 120.300 -0.021 0.000 2.750 265 Y HA 0.561 5.111 4.550 -0.001 0.000 0.335 265 Y C -0.999 174.874 175.900 -0.045 0.000 1.252 265 Y CA -1.204 56.885 58.100 -0.019 0.000 1.064 265 Y CB 1.160 39.623 38.460 0.004 0.000 1.321 265 Y HN 0.703 nan 8.280 nan 0.000 0.451 266 T N -2.231 112.412 114.554 0.148 0.000 2.838 266 T HA 0.371 4.721 4.350 -0.000 0.000 0.292 266 T C 0.380 175.150 174.700 0.117 0.000 1.113 266 T CA -0.746 61.373 62.100 0.032 0.000 1.008 266 T CB 2.166 71.036 68.868 0.004 0.000 1.259 266 T HN 1.026 nan 8.240 nan 0.000 0.520 267 R N -0.110 120.418 120.500 0.046 0.000 2.159 267 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 267 R C 0.670 176.999 176.300 0.049 0.000 1.131 267 R CA 1.982 58.111 56.100 0.048 0.000 0.982 267 R CB -0.264 30.037 30.300 0.001 0.000 0.868 267 R HN 0.658 nan 8.270 nan 0.000 0.453 268 D N -0.968 119.457 120.400 0.042 0.000 2.369 268 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 268 D C 0.221 176.547 176.300 0.044 0.000 1.077 268 D CA 0.738 54.759 54.000 0.035 0.000 0.842 268 D CB 1.109 41.921 40.800 0.020 0.000 0.947 268 D HN 0.303 nan 8.370 nan 0.000 0.509 269 T N -1.683 112.911 114.554 0.068 0.000 3.584 269 T HA 0.295 4.645 4.350 -0.000 0.000 0.259 269 T C 1.382 176.133 174.700 0.086 0.000 1.009 269 T CA -0.327 61.814 62.100 0.069 0.000 1.103 269 T CB -0.505 68.405 68.868 0.070 0.000 1.099 269 T HN -0.112 nan 8.240 nan 0.000 0.539 270 L N 1.402 122.664 121.223 0.066 0.000 2.265 270 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 270 L C 2.983 179.810 176.870 -0.072 0.000 1.117 270 L CA 1.282 56.126 54.840 0.006 0.000 0.782 270 L CB -0.294 41.783 42.059 0.030 0.000 0.914 270 L HN 0.548 nan 8.230 nan 0.000 0.441 271 E N -0.304 119.880 120.200 -0.027 0.000 2.219 271 E HA -0.282 4.068 4.350 -0.000 0.000 0.198 271 E C 0.830 177.402 176.600 -0.045 0.000 0.998 271 E CA 1.580 57.958 56.400 -0.036 0.000 0.818 271 E CB -0.463 29.228 29.700 -0.014 0.000 0.741 271 E HN 0.477 nan 8.360 nan 0.000 0.477 272 D N 1.001 121.386 120.400 -0.025 0.000 2.363 272 D HA -0.030 4.610 4.640 -0.000 0.000 0.226 272 D C 1.606 177.859 176.300 -0.077 0.000 1.020 272 D CA 0.547 54.551 54.000 0.006 0.000 0.892 272 D CB -0.026 40.835 40.800 0.101 0.000 0.900 272 D HN 0.344 nan 8.370 nan 0.000 0.531 273 K N 0.673 120.873 120.400 -0.334 0.000 2.228 273 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 273 K C 1.940 178.418 176.600 -0.204 0.000 1.051 273 K CA 0.611 56.560 56.287 -0.564 0.000 0.960 273 K CB 0.159 32.080 32.500 -0.966 0.000 0.743 273 K HN -0.036 nan 8.250 nan 0.000 0.458 274 A N 1.530 124.276 122.820 -0.124 0.000 1.927 274 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 274 A C 1.958 179.531 177.584 -0.018 0.000 1.185 274 A CA 2.197 54.203 52.037 -0.053 0.000 0.639 274 A CB -0.658 18.319 19.000 -0.037 0.000 0.820 274 A HN 0.483 nan 8.150 nan 0.000 0.451 275 E N 0.771 120.967 120.200 -0.006 0.000 2.110 275 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 275 E C 1.733 178.355 176.600 0.036 0.000 0.988 275 E CA 1.696 58.108 56.400 0.020 0.000 0.804 275 E CB -0.325 29.393 29.700 0.031 0.000 0.745 275 E HN 0.633 nan 8.360 nan 0.000 0.458 276 N N 0.430 119.156 118.700 0.043 0.000 2.166 276 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 276 N C 1.607 177.148 175.510 0.051 0.000 1.019 276 N CA 1.230 54.323 53.050 0.071 0.000 0.856 276 N CB -0.286 38.273 38.487 0.120 0.000 0.993 276 N HN 0.254 nan 8.380 nan 0.000 0.426 277 K N 1.345 121.760 120.400 0.025 0.000 2.025 277 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 277 K C 2.177 178.793 176.600 0.027 0.000 1.049 277 K CA 0.771 57.069 56.287 0.019 0.000 0.933 277 K CB 0.119 32.624 32.500 0.008 0.000 0.714 277 K HN -0.004 nan 8.250 nan 0.000 0.438 278 R N 0.664 121.180 120.500 0.027 0.000 2.080 278 R HA -0.158 4.182 4.340 -0.000 0.000 0.236 278 R C 2.255 178.580 176.300 0.041 0.000 1.137 278 R CA 2.006 58.124 56.100 0.030 0.000 0.943 278 R CB -0.110 30.205 30.300 0.025 0.000 0.846 278 R HN 0.369 nan 8.270 nan 0.000 0.431 279 Q N 0.091 119.920 119.800 0.049 0.000 2.224 279 Q HA -0.154 4.186 4.340 -0.000 0.000 0.203 279 Q C 2.069 178.121 176.000 0.086 0.000 0.970 279 Q CA 0.910 56.751 55.803 0.063 0.000 0.865 279 Q CB -0.010 28.768 28.738 0.068 0.000 0.922 279 Q HN 0.239 nan 8.270 nan 0.000 0.445 280 L N 0.882 122.155 121.223 0.083 0.000 2.005 280 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 280 L C 2.107 179.034 176.870 0.095 0.000 1.072 280 L CA 1.825 56.726 54.840 0.101 0.000 0.744 280 L CB -0.450 41.636 42.059 0.046 0.000 0.895 280 L HN 0.129 nan 8.230 nan 0.000 0.433 281 Q N -0.411 119.425 119.800 0.060 0.000 2.045 281 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 281 Q C 2.272 178.306 176.000 0.056 0.000 0.991 281 Q CA 2.486 58.319 55.803 0.051 0.000 0.851 281 Q CB -0.382 28.377 28.738 0.034 0.000 0.911 281 Q HN 0.575 nan 8.270 nan 0.000 0.418 282 I N 0.555 121.156 120.570 0.052 0.000 2.151 282 I HA -0.337 3.832 4.170 -0.000 0.000 0.243 282 I C 2.444 178.589 176.117 0.047 0.000 1.080 282 I CA 1.180 62.506 61.300 0.044 0.000 1.339 282 I CB -0.465 37.558 38.000 0.037 0.000 1.039 282 I HN 0.209 nan 8.210 nan 0.000 0.409 283 A N 0.269 123.131 122.820 0.071 0.000 1.933 283 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 283 A C 2.224 179.845 177.584 0.062 0.000 1.175 283 A CA 1.530 53.606 52.037 0.064 0.000 0.628 283 A CB -0.379 18.703 19.000 0.136 0.000 0.814 283 A HN 0.329 nan 8.150 nan 0.000 0.444 284 M N -1.623 118.045 119.600 0.113 0.000 2.558 284 M HA 0.130 4.610 4.480 -0.000 0.000 0.255 284 M C 1.529 177.868 176.300 0.065 0.000 1.113 284 M CA 0.869 56.234 55.300 0.109 0.000 1.097 284 M CB -0.973 31.707 32.600 0.133 0.000 1.426 284 M HN 0.815 nan 8.290 nan 0.000 0.488 285 G N 1.317 110.147 108.800 0.050 0.000 2.136 285 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 285 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 285 G C 0.091 175.018 174.900 0.045 0.000 0.989 285 G CA -0.092 45.033 45.100 0.040 0.000 0.682 285 G HN 0.422 nan 8.290 nan 0.000 0.522 286 L N -0.088 121.164 121.223 0.049 0.000 2.439 286 L HA 0.402 4.742 4.340 -0.000 0.000 0.261 286 L C 1.233 178.126 176.870 0.038 0.000 1.153 286 L CA -0.749 54.119 54.840 0.046 0.000 0.808 286 L CB 0.732 42.817 42.059 0.043 0.000 1.126 286 L HN 0.155 nan 8.230 nan 0.000 0.460 287 K N 0.986 121.408 120.400 0.035 0.000 2.484 287 K HA 0.097 4.417 4.320 -0.000 0.000 0.280 287 K C -0.814 175.802 176.600 0.027 0.000 1.013 287 K CA -0.353 55.953 56.287 0.030 0.000 1.029 287 K CB 0.658 33.176 32.500 0.030 0.000 0.902 287 K HN 0.315 nan 8.250 nan 0.000 0.481 288 V N 5.354 125.284 119.914 0.026 0.000 2.370 288 V HA 0.071 4.191 4.120 -0.000 0.000 0.257 288 V C -0.238 175.871 176.094 0.025 0.000 1.064 288 V CA 0.122 62.438 62.300 0.025 0.000 0.975 288 V CB 0.416 32.253 31.823 0.024 0.000 1.067 288 V HN 0.775 nan 8.190 nan 0.000 0.485 289 D N 3.437 123.853 120.400 0.027 0.000 2.764 289 D HA 0.170 4.810 4.640 -0.000 0.000 0.227 289 D C 0.229 176.555 176.300 0.044 0.000 1.347 289 D CA -0.468 53.552 54.000 0.034 0.000 0.953 289 D CB 2.027 42.848 40.800 0.035 0.000 1.476 289 D HN 0.555 nan 8.370 nan 0.000 0.585 290 D N 2.302 122.734 120.400 0.053 0.000 2.340 290 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 290 D C 0.769 177.155 176.300 0.142 0.000 1.039 290 D CA 0.182 54.226 54.000 0.074 0.000 0.866 290 D CB 0.442 41.263 40.800 0.036 0.000 0.913 290 D HN 0.118 nan 8.370 nan 0.000 0.523 291 K N 0.159 120.644 120.400 0.142 0.000 2.379 291 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 291 K C 0.164 176.991 176.600 0.378 0.000 1.031 291 K CA -0.078 56.332 56.287 0.204 0.000 1.037 291 K CB 1.258 33.827 32.500 0.116 0.000 0.824 291 K HN 0.100 nan 8.250 nan 0.000 0.516 292 V N 4.193 124.231 119.914 0.207 0.000 2.513 292 V HA 0.244 4.364 4.120 -0.000 0.000 0.299 292 V C -2.426 173.400 176.094 -0.446 0.000 1.035 292 V CA -2.339 59.952 62.300 -0.015 0.000 0.889 292 V CB 2.201 34.025 31.823 0.001 0.000 0.988 292 V HN 0.003 nan 8.190 nan 0.000 0.440 293 P HA 0.163 nan 4.420 nan 0.000 0.276 293 P C -0.965 175.890 177.300 -0.741 0.000 1.235 293 P CA -0.372 61.766 63.100 -1.604 0.000 0.772 293 P CB 1.191 31.651 31.700 -2.068 0.000 0.871 294 L N 5.548 126.406 121.223 -0.609 0.000 2.264 294 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 294 L C -0.934 175.751 176.870 -0.307 0.000 1.039 294 L CA -0.727 53.946 54.840 -0.279 0.000 0.829 294 L CB -0.676 41.286 42.059 -0.162 0.000 1.211 294 L HN 0.132 nan 8.230 nan 0.000 0.427 295 F N 3.839 123.678 119.950 -0.186 0.000 2.371 295 F HA 0.729 5.256 4.527 -0.000 0.000 0.329 295 F C 0.768 176.509 175.800 -0.098 0.000 1.107 295 F CA 0.098 58.018 58.000 -0.133 0.000 1.137 295 F CB 1.418 40.336 39.000 -0.137 0.000 1.214 295 F HN 0.637 nan 8.300 nan 0.000 0.536 296 A N 1.336 124.211 122.820 0.091 0.000 2.539 296 A HA 0.839 5.159 4.320 -0.000 0.000 0.296 296 A C -1.761 175.807 177.584 -0.026 0.000 1.073 296 A CA -0.691 51.344 52.037 -0.004 0.000 0.700 296 A CB 1.678 20.644 19.000 -0.055 0.000 1.296 296 A HN 0.487 nan 8.150 nan 0.000 0.405 297 V N 1.193 121.056 119.914 -0.087 0.000 2.577 297 V HA 0.541 4.661 4.120 -0.000 0.000 0.303 297 V C -0.918 175.095 176.094 -0.135 0.000 1.042 297 V CA -0.485 61.746 62.300 -0.115 0.000 0.872 297 V CB 1.789 33.502 31.823 -0.183 0.000 0.998 297 V HN 0.734 nan 8.190 nan 0.000 0.423 298 V N 3.697 123.536 119.914 -0.126 0.000 2.349 298 V HA 0.765 4.885 4.120 -0.000 0.000 0.284 298 V C -0.206 175.824 176.094 -0.107 0.000 1.014 298 V CA -0.058 62.168 62.300 -0.123 0.000 0.826 298 V CB 1.486 33.230 31.823 -0.131 0.000 1.009 298 V HN 0.883 nan 8.190 nan 0.000 0.431 299 S N 4.365 120.015 115.700 -0.083 0.000 2.542 299 S HA 0.511 4.981 4.470 -0.000 0.000 0.276 299 S C -0.581 174.016 174.600 -0.005 0.000 1.148 299 S CA -0.888 57.280 58.200 -0.054 0.000 0.886 299 S CB 1.494 64.657 63.200 -0.062 0.000 1.109 299 S HN 0.724 nan 8.310 nan 0.000 0.458 300 R N 1.744 122.260 120.500 0.027 0.000 2.585 300 R HA 0.134 4.474 4.340 -0.000 0.000 0.275 300 R C -0.700 175.630 176.300 0.050 0.000 1.018 300 R CA -0.094 56.044 56.100 0.062 0.000 1.072 300 R CB 0.062 30.404 30.300 0.070 0.000 0.953 300 R HN 0.304 nan 8.270 nan 0.000 0.419 301 L N 3.805 125.071 121.223 0.071 0.000 2.407 301 L HA 0.178 4.518 4.340 -0.000 0.000 0.261 301 L C 0.303 177.224 176.870 0.086 0.000 1.108 301 L CA 0.345 55.237 54.840 0.087 0.000 0.995 301 L CB 0.106 42.232 42.059 0.112 0.000 1.349 301 L HN 0.744 nan 8.230 nan 0.000 0.423 302 T N -3.405 111.194 114.554 0.075 0.000 2.907 302 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 302 T C 1.174 175.913 174.700 0.064 0.000 1.066 302 T CA 0.008 62.152 62.100 0.074 0.000 1.012 302 T CB 1.447 70.372 68.868 0.095 0.000 1.184 302 T HN 0.253 nan 8.240 nan 0.000 0.522 303 S N -0.107 115.634 115.700 0.068 0.000 2.419 303 S HA -0.243 4.227 4.470 -0.000 0.000 0.233 303 S C 1.916 176.566 174.600 0.084 0.000 1.016 303 S CA 1.316 59.563 58.200 0.078 0.000 0.974 303 S CB -0.891 62.357 63.200 0.079 0.000 0.786 303 S HN 0.838 nan 8.310 nan 0.000 0.492 304 Q N 1.251 121.079 119.800 0.046 0.000 2.173 304 Q HA -0.214 4.126 4.340 -0.000 0.000 0.208 304 Q C 1.269 177.172 176.000 -0.163 0.000 0.989 304 Q CA 1.521 57.222 55.803 -0.171 0.000 0.872 304 Q CB -0.082 28.359 28.738 -0.495 0.000 0.909 304 Q HN 0.390 nan 8.270 nan 0.000 0.420 305 K N -1.020 119.339 120.400 -0.067 0.000 2.426 305 K HA 0.092 4.412 4.320 -0.000 0.000 0.193 305 K C 0.969 177.592 176.600 0.038 0.000 1.028 305 K CA 0.792 57.054 56.287 -0.041 0.000 1.047 305 K CB 0.395 32.881 32.500 -0.024 0.000 0.821 305 K HN 0.432 nan 8.250 nan 0.000 0.513 306 G N 2.093 110.938 108.800 0.075 0.000 2.225 306 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.267 306 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.267 306 G C 0.622 175.603 174.900 0.134 0.000 1.024 306 G CA 0.388 45.560 45.100 0.120 0.000 0.784 306 G HN 0.329 nan 8.290 nan 0.000 0.507 307 L N 0.356 121.666 121.223 0.145 0.000 2.554 307 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 307 L C 2.523 179.519 176.870 0.209 0.000 1.137 307 L CA 0.865 55.843 54.840 0.230 0.000 0.863 307 L CB -0.223 42.013 42.059 0.294 0.000 0.985 307 L HN 0.446 nan 8.230 nan 0.000 0.451 308 D N 0.709 121.171 120.400 0.103 0.000 2.178 308 D HA -0.200 4.440 4.640 -0.000 0.000 0.202 308 D C 2.076 178.381 176.300 0.009 0.000 0.974 308 D CA 1.049 55.058 54.000 0.015 0.000 0.841 308 D CB -0.339 40.472 40.800 0.018 0.000 0.953 308 D HN 0.344 nan 8.370 nan 0.000 0.478 309 L N 0.524 121.778 121.223 0.051 0.000 2.083 309 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 309 L C 2.800 179.670 176.870 -0.000 0.000 1.083 309 L CA 0.641 55.499 54.840 0.030 0.000 0.752 309 L CB -0.397 41.700 42.059 0.062 0.000 0.899 309 L HN -0.052 nan 8.230 nan 0.000 0.433 310 V N 0.162 120.108 119.914 0.054 0.000 2.295 310 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 310 V C 2.471 178.586 176.094 0.034 0.000 1.049 310 V CA 1.576 63.918 62.300 0.070 0.000 1.024 310 V CB -0.378 31.571 31.823 0.209 0.000 0.648 310 V HN 0.325 nan 8.190 nan 0.000 0.447 311 L N -0.289 120.907 121.223 -0.045 0.000 2.013 311 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 311 L C 2.671 179.474 176.870 -0.112 0.000 1.073 311 L CA 1.986 56.702 54.840 -0.207 0.000 0.753 311 L CB -0.591 41.222 42.059 -0.410 0.000 0.890 311 L HN 0.405 nan 8.230 nan 0.000 0.432 312 E N -0.327 119.825 120.200 -0.079 0.000 2.085 312 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 312 E C 2.092 178.653 176.600 -0.065 0.000 0.994 312 E CA 1.249 57.616 56.400 -0.055 0.000 0.801 312 E CB -0.181 29.500 29.700 -0.031 0.000 0.743 312 E HN 0.525 nan 8.360 nan 0.000 0.453 313 A N 0.727 123.496 122.820 -0.084 0.000 2.167 313 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 313 A C 1.979 179.473 177.584 -0.150 0.000 1.151 313 A CA 0.274 52.236 52.037 -0.125 0.000 0.735 313 A CB -0.219 18.681 19.000 -0.167 0.000 0.802 313 A HN 0.156 nan 8.150 nan 0.000 0.467 314 L N 0.642 121.788 121.223 -0.129 0.000 2.012 314 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 314 L C -0.750 175.978 176.870 -0.236 0.000 1.073 314 L CA 2.355 57.095 54.840 -0.166 0.000 0.748 314 L CB -1.184 40.809 42.059 -0.111 0.000 0.891 314 L HN 0.154 nan 8.230 nan 0.000 0.431 315 P HA -0.115 nan 4.420 nan 0.000 0.215 315 P C 1.657 178.846 177.300 -0.185 0.000 1.157 315 P CA 1.826 64.812 63.100 -0.190 0.000 0.868 315 P CB -0.412 31.244 31.700 -0.073 0.000 0.788 316 G N -0.066 108.636 108.800 -0.164 0.000 2.440 316 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 316 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 316 G C 1.536 176.295 174.900 -0.235 0.000 1.154 316 G CA 0.628 45.619 45.100 -0.182 0.000 0.767 316 G HN 0.278 nan 8.290 nan 0.000 0.552 317 L N -0.041 121.039 121.223 -0.239 0.000 2.027 317 L HA 0.069 4.408 4.340 -0.000 0.000 0.206 317 L C 2.802 179.560 176.870 -0.187 0.000 1.074 317 L CA 1.041 55.741 54.840 -0.232 0.000 0.745 317 L CB -0.174 41.669 42.059 -0.360 0.000 0.898 317 L HN 0.196 nan 8.230 nan 0.000 0.433 318 L N -0.376 120.709 121.223 -0.230 0.000 2.083 318 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 318 L C 2.543 179.302 176.870 -0.185 0.000 1.083 318 L CA 1.483 56.194 54.840 -0.215 0.000 0.752 318 L CB -0.643 41.195 42.059 -0.368 0.000 0.899 318 L HN 0.420 nan 8.230 nan 0.000 0.433 319 E N 0.163 120.238 120.200 -0.208 0.000 2.204 319 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 319 E C 1.965 178.414 176.600 -0.252 0.000 0.989 319 E CA 0.859 57.149 56.400 -0.184 0.000 0.824 319 E CB 0.159 29.762 29.700 -0.162 0.000 0.756 319 E HN 0.568 nan 8.360 nan 0.000 0.477 320 Q N -1.350 118.199 119.800 -0.418 0.000 2.425 320 Q HA 0.079 4.419 4.340 -0.000 0.000 0.204 320 Q C 0.896 176.579 176.000 -0.529 0.000 0.933 320 Q CA 0.528 55.898 55.803 -0.721 0.000 0.939 320 Q CB 0.961 28.771 28.738 -1.546 0.000 1.044 320 Q HN 0.414 nan 8.270 nan 0.000 0.513 321 G N 0.074 108.757 108.800 -0.195 0.000 2.168 321 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.197 321 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.197 321 G C 0.256 175.259 174.900 0.172 0.000 0.997 321 G CA -0.487 44.625 45.100 0.021 0.000 0.658 321 G HN 0.480 nan 8.290 nan 0.000 0.513 322 G N -0.772 108.210 108.800 0.303 0.000 2.562 322 G HA2 0.601 4.561 3.960 -0.000 0.000 0.275 322 G HA3 0.601 4.561 3.960 -0.000 0.000 0.275 322 G C -0.141 174.826 174.900 0.112 0.000 1.196 322 G CA -0.216 45.068 45.100 0.307 0.000 0.908 322 G HN 0.443 nan 8.290 nan 0.000 0.524 323 Q N -1.391 118.476 119.800 0.112 0.000 2.399 323 Q HA 0.621 4.961 4.340 -0.000 0.000 0.276 323 Q C -1.441 174.620 176.000 0.102 0.000 1.098 323 Q CA -0.814 55.025 55.803 0.060 0.000 0.827 323 Q CB 2.790 31.541 28.738 0.023 0.000 1.386 323 Q HN 0.368 nan 8.270 nan 0.000 0.443 324 L N 0.635 121.890 121.223 0.054 0.000 2.385 324 L HA 0.803 5.143 4.340 -0.000 0.000 0.273 324 L C -1.795 175.098 176.870 0.039 0.000 0.990 324 L CA -0.311 54.563 54.840 0.057 0.000 0.821 324 L CB 1.958 44.036 42.059 0.031 0.000 1.279 324 L HN 0.705 nan 8.230 nan 0.000 0.412 325 A N 5.851 128.682 122.820 0.018 0.000 2.311 325 A HA 0.710 5.030 4.320 -0.000 0.000 0.306 325 A C -1.532 176.022 177.584 -0.051 0.000 1.189 325 A CA -0.435 51.603 52.037 0.002 0.000 0.791 325 A CB 0.927 19.922 19.000 -0.008 0.000 1.172 325 A HN 0.823 nan 8.150 nan 0.000 0.481 326 L N 3.298 124.482 121.223 -0.065 0.000 2.346 326 L HA 0.852 5.192 4.340 -0.000 0.000 0.276 326 L C -1.525 175.303 176.870 -0.070 0.000 1.006 326 L CA -0.994 53.750 54.840 -0.160 0.000 0.817 326 L CB 1.733 43.553 42.059 -0.397 0.000 1.272 326 L HN 0.690 nan 8.230 nan 0.000 0.421 327 L N 5.078 126.254 121.223 -0.078 0.000 2.381 327 L HA 1.027 5.367 4.340 -0.000 0.000 0.274 327 L C -0.524 176.325 176.870 -0.035 0.000 0.988 327 L CA 0.248 55.095 54.840 0.012 0.000 0.824 327 L CB 1.654 43.739 42.059 0.044 0.000 1.263 327 L HN 0.697 nan 8.230 nan 0.000 0.410 328 G N 2.994 111.800 108.800 0.011 0.000 2.387 328 G HA2 0.753 4.713 3.960 -0.000 0.000 0.294 328 G HA3 0.753 4.713 3.960 -0.000 0.000 0.294 328 G C -2.255 172.685 174.900 0.068 0.000 1.509 328 G CA -0.114 44.993 45.100 0.011 0.000 0.806 328 G HN 1.055 nan 8.290 nan 0.000 0.546 329 A N -0.763 122.110 122.820 0.090 0.000 2.520 329 A HA 1.138 5.458 4.320 -0.000 0.000 0.298 329 A C 0.342 177.986 177.584 0.099 0.000 1.051 329 A CA 0.375 52.476 52.037 0.107 0.000 0.690 329 A CB 1.583 20.663 19.000 0.132 0.000 1.281 329 A HN 2.678 nan 8.150 nan 0.000 0.402 330 G N 0.429 109.280 108.800 0.085 0.000 2.553 330 G HA2 0.337 4.297 3.960 -0.000 0.000 0.106 330 G HA3 0.337 4.297 3.960 -0.000 0.000 0.106 330 G C -1.666 173.266 174.900 0.053 0.000 1.126 330 G CA -0.283 44.858 45.100 0.069 0.000 1.075 330 G HN 0.719 nan 8.290 nan 0.000 0.472 331 D N 2.556 122.989 120.400 0.054 0.000 2.570 331 D HA 0.268 4.908 4.640 -0.000 0.000 0.243 331 D C -1.360 174.969 176.300 0.049 0.000 1.171 331 D CA -0.661 53.363 54.000 0.040 0.000 0.879 331 D CB 1.384 42.211 40.800 0.045 0.000 1.143 331 D HN -0.023 nan 8.370 nan 0.000 0.511 332 P HA -0.163 nan 4.420 nan 0.000 0.217 332 P C 1.450 178.771 177.300 0.036 0.000 1.148 332 P CA 0.577 63.697 63.100 0.034 0.000 0.828 332 P CB 0.294 32.003 31.700 0.015 0.000 0.783 333 V N -0.758 119.171 119.914 0.025 0.000 2.343 333 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 333 V C 2.424 178.527 176.094 0.015 0.000 1.051 333 V CA 1.700 64.008 62.300 0.013 0.000 1.036 333 V CB -1.319 30.506 31.823 0.004 0.000 0.654 333 V HN 0.079 nan 8.190 nan 0.000 0.451 334 L N -0.554 120.702 121.223 0.054 0.000 2.005 334 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 334 L C 2.803 179.796 176.870 0.204 0.000 1.072 334 L CA 1.688 56.596 54.840 0.113 0.000 0.744 334 L CB -0.744 41.433 42.059 0.197 0.000 0.895 334 L HN 0.330 nan 8.230 nan 0.000 0.433 335 Q N -0.195 119.712 119.800 0.178 0.000 2.062 335 Q HA -0.257 4.083 4.340 -0.000 0.000 0.209 335 Q C 2.178 178.267 176.000 0.149 0.000 0.996 335 Q CA 1.701 57.610 55.803 0.177 0.000 0.859 335 Q CB -0.236 28.572 28.738 0.117 0.000 0.920 335 Q HN 0.434 nan 8.270 nan 0.000 0.415 336 E N -0.005 120.246 120.200 0.085 0.000 2.072 336 E HA -0.113 4.236 4.350 -0.000 0.000 0.191 336 E C 2.139 178.758 176.600 0.031 0.000 0.985 336 E CA 1.172 57.604 56.400 0.054 0.000 0.801 336 E CB -0.598 29.119 29.700 0.029 0.000 0.750 336 E HN 0.500 nan 8.360 nan 0.000 0.452 337 G N 0.566 109.355 108.800 -0.018 0.000 2.476 337 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 337 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 337 G C 1.419 176.234 174.900 -0.140 0.000 1.164 337 G CA 0.758 45.782 45.100 -0.127 0.000 0.768 337 G HN 0.168 nan 8.290 nan 0.000 0.560 338 F N 0.581 120.556 119.950 0.042 0.000 2.146 338 F HA 0.141 4.668 4.527 0.000 0.000 0.298 338 F C 2.685 178.519 175.800 0.055 0.000 1.096 338 F CA 0.553 58.584 58.000 0.050 0.000 1.275 338 F CB -0.523 38.505 39.000 0.048 0.000 1.008 338 F HN 0.004 nan 8.300 nan 0.000 0.480 339 L N -0.446 120.909 121.223 0.220 0.000 2.042 339 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 339 L C 2.697 179.624 176.870 0.093 0.000 1.076 339 L CA 1.287 56.208 54.840 0.136 0.000 0.749 339 L CB -1.031 41.089 42.059 0.101 0.000 0.893 339 L HN 0.162 nan 8.230 nan 0.000 0.432 340 A N -0.159 122.700 122.820 0.064 0.000 1.933 340 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 340 A C 2.528 180.135 177.584 0.038 0.000 1.175 340 A CA 1.732 53.785 52.037 0.026 0.000 0.628 340 A CB -0.673 18.325 19.000 -0.004 0.000 0.814 340 A HN 0.423 nan 8.150 nan 0.000 0.444 341 A N -0.120 122.758 122.820 0.097 0.000 1.902 341 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 341 A C 2.512 180.243 177.584 0.245 0.000 1.181 341 A CA 2.113 54.276 52.037 0.209 0.000 0.623 341 A CB -1.021 18.123 19.000 0.240 0.000 0.818 341 A HN 1.054 nan 8.150 nan 0.000 0.443 342 A N -0.147 122.786 122.820 0.188 0.000 1.902 342 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 342 A C 2.512 180.153 177.584 0.094 0.000 1.181 342 A CA 2.123 54.252 52.037 0.154 0.000 0.623 342 A CB -1.030 18.048 19.000 0.130 0.000 0.818 342 A HN 1.062 nan 8.150 nan 0.000 0.443 343 A N -0.458 122.393 122.820 0.052 0.000 1.902 343 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 343 A C 2.033 179.584 177.584 -0.055 0.000 1.181 343 A CA 1.845 53.884 52.037 0.004 0.000 0.623 343 A CB -0.526 18.472 19.000 -0.004 0.000 0.818 343 A HN 0.667 nan 8.150 nan 0.000 0.443 344 E N -1.708 118.416 120.200 -0.127 0.000 2.150 344 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 344 E C -0.289 176.025 176.600 -0.476 0.000 0.985 344 E CA 0.784 56.959 56.400 -0.375 0.000 0.814 344 E CB -0.039 29.302 29.700 -0.598 0.000 0.752 344 E HN 0.745 nan 8.360 nan 0.000 0.466 345 Y N 0.760 121.070 120.300 0.017 0.000 2.480 345 Y HA 0.325 4.875 4.550 -0.000 0.000 0.356 345 Y C -2.312 173.601 175.900 0.022 0.000 0.922 345 Y CA -2.621 55.489 58.100 0.016 0.000 1.146 345 Y CB 0.756 39.225 38.460 0.016 0.000 1.185 345 Y HN 0.028 nan 8.280 nan 0.000 0.624 346 P HA 0.099 nan 4.420 nan 0.000 0.268 346 P C 1.068 178.419 177.300 0.084 0.000 1.205 346 P CA 1.259 64.410 63.100 0.085 0.000 0.771 346 P CB 1.541 33.269 31.700 0.047 0.000 0.858 347 G N 2.858 111.702 108.800 0.073 0.000 2.234 347 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 347 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 347 G C 0.848 175.787 174.900 0.064 0.000 0.987 347 G CA 0.413 45.550 45.100 0.062 0.000 0.625 347 G HN 0.562 nan 8.290 nan 0.000 0.532 348 Q N -1.205 118.645 119.800 0.084 0.000 2.431 348 Q HA 0.438 4.778 4.340 -0.000 0.000 0.244 348 Q C 0.278 176.312 176.000 0.058 0.000 0.880 348 Q CA 0.739 56.578 55.803 0.060 0.000 0.954 348 Q CB 1.639 30.407 28.738 0.050 0.000 1.105 348 Q HN 0.400 nan 8.270 nan 0.000 0.558 349 V N 0.753 120.727 119.914 0.100 0.000 2.483 349 V HA 0.643 4.763 4.120 -0.000 0.000 0.297 349 V C -0.228 175.930 176.094 0.107 0.000 1.027 349 V CA -0.807 61.557 62.300 0.107 0.000 0.855 349 V CB 1.509 33.431 31.823 0.165 0.000 0.995 349 V HN 0.192 nan 8.190 nan 0.000 0.424 350 G N 3.187 112.040 108.800 0.089 0.000 2.461 350 G HA2 0.691 4.651 3.960 -0.000 0.000 0.323 350 G HA3 0.691 4.651 3.960 -0.000 0.000 0.323 350 G C -1.412 173.542 174.900 0.090 0.000 1.229 350 G CA -0.555 44.599 45.100 0.091 0.000 0.941 350 G HN 0.556 nan 8.290 nan 0.000 0.477 351 V N 1.400 121.371 119.914 0.095 0.000 2.686 351 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 351 V C -0.835 175.315 176.094 0.092 0.000 1.065 351 V CA -0.744 61.608 62.300 0.086 0.000 0.894 351 V CB 2.026 33.919 31.823 0.116 0.000 1.004 351 V HN 0.780 nan 8.190 nan 0.000 0.424 352 Q N 4.227 124.091 119.800 0.106 0.000 2.337 352 Q HA 0.524 4.864 4.340 -0.000 0.000 0.264 352 Q C -1.372 174.711 176.000 0.138 0.000 1.007 352 Q CA -0.341 55.528 55.803 0.111 0.000 0.727 352 Q CB 1.352 30.170 28.738 0.133 0.000 1.256 352 Q HN 0.598 nan 8.270 nan 0.000 0.467 353 I N 3.660 124.309 120.570 0.130 0.000 2.352 353 I HA 0.789 4.959 4.170 -0.000 0.000 0.290 353 I C 0.872 177.099 176.117 0.185 0.000 1.036 353 I CA 0.524 61.906 61.300 0.138 0.000 1.336 353 I CB 0.180 38.250 38.000 0.117 0.000 1.407 353 I HN 0.775 nan 8.210 nan 0.000 0.497 354 G N 6.077 114.981 108.800 0.173 0.000 2.369 354 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.295 354 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.295 354 G C -2.012 172.929 174.900 0.068 0.000 1.298 354 G CA -0.895 44.280 45.100 0.126 0.000 0.940 354 G HN 0.378 nan 8.290 nan 0.000 0.536 355 Y N 1.905 122.072 120.300 -0.222 0.000 2.385 355 Y HA 0.671 5.221 4.550 -0.000 0.000 0.341 355 Y C 0.028 175.693 175.900 -0.392 0.000 0.965 355 Y CA -0.478 57.520 58.100 -0.170 0.000 1.180 355 Y CB 0.761 39.169 38.460 -0.085 0.000 1.139 355 Y HN 0.499 nan 8.280 nan 0.000 0.502 356 H N 5.357 124.355 119.070 -0.120 0.000 2.953 356 H HA 0.099 4.655 4.556 0.000 0.000 0.290 356 H C 0.604 175.944 175.328 0.020 0.000 1.113 356 H CA -0.319 55.763 56.048 0.056 0.000 1.454 356 H CB 1.540 31.388 29.762 0.143 0.000 1.525 356 H HN 0.771 nan 8.280 nan 0.000 0.505 357 E N 3.470 123.775 120.200 0.174 0.000 2.038 357 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 357 E C 2.065 178.825 176.600 0.266 0.000 1.000 357 E CA 1.857 58.398 56.400 0.234 0.000 0.803 357 E CB 0.165 30.086 29.700 0.368 0.000 0.750 357 E HN 0.701 nan 8.360 nan 0.000 0.448 358 A N -0.258 122.693 122.820 0.219 0.000 1.902 358 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 358 A C 2.172 179.908 177.584 0.252 0.000 1.181 358 A CA 1.393 53.525 52.037 0.158 0.000 0.623 358 A CB -0.930 18.131 19.000 0.102 0.000 0.818 358 A HN 0.444 nan 8.150 nan 0.000 0.443 359 F N 2.131 122.141 119.950 0.099 0.000 2.216 359 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 359 F C 2.747 178.593 175.800 0.076 0.000 1.085 359 F CA 1.380 59.420 58.000 0.067 0.000 1.326 359 F CB -0.464 38.552 39.000 0.028 0.000 1.027 359 F HN 0.350 nan 8.300 nan 0.000 0.497 360 S N -1.126 114.604 115.700 0.050 0.000 2.399 360 S HA -0.243 4.227 4.470 -0.000 0.000 0.231 360 S C 2.062 176.639 174.600 -0.038 0.000 1.022 360 S CA 1.470 59.644 58.200 -0.044 0.000 0.983 360 S CB -1.134 62.104 63.200 0.064 0.000 0.803 360 S HN 0.567 nan 8.310 nan 0.000 0.480 361 H N 1.570 120.605 119.070 -0.058 0.000 2.357 361 H HA 0.091 4.647 4.556 0.000 0.000 0.301 361 H C 2.529 177.806 175.328 -0.085 0.000 1.082 361 H CA 1.577 57.541 56.048 -0.141 0.000 1.342 361 H CB -0.079 29.534 29.762 -0.249 0.000 1.389 361 H HN 0.448 nan 8.280 nan 0.000 0.511 362 R N 0.270 120.798 120.500 0.046 0.000 2.092 362 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 362 R C 2.472 178.707 176.300 -0.109 0.000 1.119 362 R CA 0.858 56.968 56.100 0.017 0.000 0.970 362 R CB -0.055 30.306 30.300 0.101 0.000 0.864 362 R HN 0.269 nan 8.270 nan 0.000 0.440 363 I N 0.204 120.584 120.570 -0.316 0.000 2.163 363 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 363 I C 2.443 178.476 176.117 -0.140 0.000 1.081 363 I CA 1.075 62.197 61.300 -0.296 0.000 1.353 363 I CB -0.164 37.583 38.000 -0.422 0.000 1.054 363 I HN 0.127 nan 8.210 nan 0.000 0.407 364 M N 1.108 120.617 119.600 -0.151 0.000 2.106 364 M HA -0.145 4.335 4.480 -0.000 0.000 0.259 364 M C 1.979 178.279 176.300 0.001 0.000 1.068 364 M CA 2.054 57.251 55.300 -0.172 0.000 1.100 364 M CB -0.929 31.427 32.600 -0.407 0.000 1.351 364 M HN 0.223 nan 8.290 nan 0.000 0.404 365 G N -2.151 106.719 108.800 0.117 0.000 2.650 365 G HA2 0.120 4.080 3.960 -0.000 0.000 0.214 365 G HA3 0.120 4.080 3.960 -0.000 0.000 0.214 365 G C 1.300 176.365 174.900 0.275 0.000 1.136 365 G CA 0.586 45.951 45.100 0.441 0.000 0.789 365 G HN 0.631 nan 8.290 nan 0.000 0.536 366 G N -0.172 108.700 108.800 0.119 0.000 2.747 366 G HA2 0.465 4.425 3.960 -0.000 0.000 0.202 366 G HA3 0.465 4.425 3.960 -0.000 0.000 0.202 366 G C 0.828 175.742 174.900 0.025 0.000 1.090 366 G CA 0.779 45.913 45.100 0.056 0.000 0.779 366 G HN 0.590 nan 8.290 nan 0.000 0.535 367 A N 0.630 123.456 122.820 0.010 0.000 2.346 367 A HA 0.454 4.774 4.320 -0.000 0.000 0.252 367 A C 0.810 178.405 177.584 0.019 0.000 1.089 367 A CA 0.236 52.261 52.037 -0.020 0.000 0.797 367 A CB 0.435 19.407 19.000 -0.046 0.000 1.047 367 A HN 0.145 nan 8.150 nan 0.000 0.494 368 D N -0.831 119.540 120.400 -0.048 0.000 2.324 368 D HA 0.166 4.806 4.640 -0.000 0.000 0.212 368 D C -0.168 176.213 176.300 0.135 0.000 0.984 368 D CA 1.098 55.143 54.000 0.074 0.000 0.885 368 D CB 0.477 41.179 40.800 -0.163 0.000 0.996 368 D HN 0.199 nan 8.370 nan 0.000 0.505 369 V N 1.471 121.325 119.914 -0.099 0.000 2.760 369 V HA 0.336 4.456 4.120 -0.000 0.000 0.309 369 V C -0.866 175.222 176.094 -0.010 0.000 1.077 369 V CA -0.964 61.298 62.300 -0.064 0.000 0.910 369 V CB 2.923 34.533 31.823 -0.356 0.000 1.008 369 V HN -0.116 nan 8.190 nan 0.000 0.424 370 I N 4.900 125.495 120.570 0.042 0.000 2.355 370 I HA 0.485 4.655 4.170 -0.000 0.000 0.288 370 I C -0.485 175.672 176.117 0.067 0.000 0.999 370 I CA -0.087 61.228 61.300 0.025 0.000 1.163 370 I CB 0.990 38.973 38.000 -0.028 0.000 1.316 370 I HN 0.542 nan 8.210 nan 0.000 0.454 371 L N 7.833 129.106 121.223 0.084 0.000 2.369 371 L HA 0.318 4.658 4.340 -0.000 0.000 0.279 371 L C -0.445 176.457 176.870 0.054 0.000 1.108 371 L CA -0.398 54.504 54.840 0.104 0.000 0.852 371 L CB 0.599 42.718 42.059 0.101 0.000 1.169 371 L HN 0.372 nan 8.230 nan 0.000 0.452 372 V N 4.596 124.553 119.914 0.071 0.000 2.320 372 V HA 0.204 4.324 4.120 -0.000 0.000 0.257 372 V C -1.988 174.155 176.094 0.083 0.000 0.996 372 V CA -0.806 61.508 62.300 0.024 0.000 0.928 372 V CB 0.772 32.561 31.823 -0.057 0.000 1.169 372 V HN 0.625 nan 8.190 nan 0.000 0.475 373 P HA 0.209 nan 4.420 nan 0.000 0.214 373 P C 0.282 177.692 177.300 0.184 0.000 1.807 373 P CA 0.060 63.361 63.100 0.335 0.000 0.921 373 P CB 0.165 32.108 31.700 0.404 0.000 1.835 374 S N 0.794 116.517 115.700 0.039 0.000 2.562 374 S HA 0.160 4.630 4.470 -0.000 0.000 0.281 374 S C 1.683 176.313 174.600 0.049 0.000 1.333 374 S CA -0.379 57.818 58.200 -0.005 0.000 1.052 374 S CB 0.936 64.078 63.200 -0.097 0.000 0.884 374 S HN 0.252 nan 8.310 nan 0.000 0.506 375 R N 0.822 121.380 120.500 0.097 0.000 2.075 375 R HA -0.002 4.338 4.340 -0.000 0.000 0.232 375 R C 0.224 176.768 176.300 0.406 0.000 1.126 375 R CA 1.155 57.391 56.100 0.227 0.000 0.963 375 R CB -0.120 30.346 30.300 0.277 0.000 0.858 375 R HN 0.736 nan 8.270 nan 0.000 0.435 376 F N -1.598 118.466 119.950 0.190 0.000 2.631 376 F HA 0.609 5.136 4.527 0.000 0.000 0.308 376 F C -1.250 174.588 175.800 0.065 0.000 1.097 376 F CA -1.446 56.707 58.000 0.255 0.000 0.952 376 F CB 1.953 41.252 39.000 0.499 0.000 1.307 376 F HN -0.348 nan 8.300 nan 0.000 0.450 377 E N 3.429 123.604 120.200 -0.042 0.000 2.551 377 E HA 0.410 4.760 4.350 -0.000 0.000 0.321 377 E C -2.523 173.850 176.600 -0.379 0.000 0.975 377 E CA -2.126 54.120 56.400 -0.257 0.000 0.784 377 E CB 1.693 31.269 29.700 -0.206 0.000 1.493 377 E HN 0.302 nan 8.360 nan 0.000 0.385 378 P HA -0.182 nan 4.420 nan 0.000 0.216 378 P C 0.659 177.734 177.300 -0.375 0.000 1.157 378 P CA 1.118 63.632 63.100 -0.977 0.000 0.880 378 P CB 0.342 31.605 31.700 -0.729 0.000 0.791 379 C N -4.165 114.973 119.300 -0.271 0.000 3.024 379 C HA 0.657 5.117 4.460 -0.000 0.000 0.344 379 C C 0.326 175.159 174.990 -0.262 0.000 2.031 379 C CA 1.009 59.895 59.018 -0.221 0.000 1.998 379 C CB 0.263 27.900 27.740 -0.172 0.000 1.929 379 C HN 0.446 nan 8.230 nan 0.000 0.660 380 G N 1.472 110.112 108.800 -0.266 0.000 3.409 380 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.686 380 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.686 380 G C -0.257 174.382 174.900 -0.435 0.000 1.017 380 G CA 0.067 44.979 45.100 -0.313 0.000 0.854 380 G HN 0.622 nan 8.290 nan 0.000 0.508 381 L N 1.796 122.696 121.223 -0.539 0.000 2.470 381 L HA 0.082 4.422 4.340 -0.000 0.000 0.219 381 L C 3.096 179.163 176.870 -1.338 0.000 1.071 381 L CA 1.285 55.575 54.840 -0.917 0.000 0.850 381 L CB -0.341 41.196 42.059 -0.870 0.000 1.040 381 L HN 0.846 nan 8.230 nan 0.000 0.475 382 T N -1.995 112.027 114.554 -0.886 0.000 2.788 382 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 382 T C 1.827 176.237 174.700 -0.483 0.000 1.044 382 T CA 1.350 63.043 62.100 -0.678 0.000 1.139 382 T CB -0.296 68.349 68.868 -0.371 0.000 0.867 382 T HN 0.365 nan 8.240 nan 0.000 0.454 383 Q N 1.643 121.192 119.800 -0.419 0.000 2.172 383 Q HA 0.034 4.374 4.340 -0.000 0.000 0.200 383 Q C 2.294 178.109 176.000 -0.308 0.000 0.964 383 Q CA 1.054 56.684 55.803 -0.289 0.000 0.855 383 Q CB -0.715 27.881 28.738 -0.238 0.000 0.918 383 Q HN 0.590 nan 8.270 nan 0.000 0.444 384 L N -0.211 120.721 121.223 -0.485 0.000 2.056 384 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 384 L C 2.479 179.276 176.870 -0.123 0.000 1.078 384 L CA 1.110 55.674 54.840 -0.461 0.000 0.749 384 L CB -0.773 40.861 42.059 -0.707 0.000 0.901 384 L HN 0.079 nan 8.230 nan 0.000 0.433 385 Y N 0.629 120.746 120.300 -0.304 0.000 2.224 385 Y HA -0.110 4.441 4.550 0.000 0.000 0.289 385 Y C 2.628 178.508 175.900 -0.033 0.000 1.146 385 Y CA 0.688 58.639 58.100 -0.249 0.000 1.182 385 Y CB -1.629 36.365 38.460 -0.776 0.000 0.983 385 Y HN 0.090 nan 8.280 nan 0.000 0.524 386 G N 0.140 108.960 108.800 0.034 0.000 2.433 386 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 386 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 386 G C 1.842 176.819 174.900 0.128 0.000 1.186 386 G CA 1.008 46.147 45.100 0.066 0.000 0.779 386 G HN 0.347 nan 8.290 nan 0.000 0.543 387 L N 0.268 121.535 121.223 0.074 0.000 1.978 387 L HA -0.183 4.157 4.340 -0.000 0.000 0.218 387 L C 2.794 179.752 176.870 0.146 0.000 1.075 387 L CA 1.983 56.875 54.840 0.087 0.000 0.767 387 L CB -0.393 41.736 42.059 0.116 0.000 0.890 387 L HN 0.227 nan 8.230 nan 0.000 0.434 388 K N -0.358 120.170 120.400 0.214 0.000 2.152 388 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 388 K C 1.663 178.343 176.600 0.134 0.000 1.048 388 K CA 1.635 58.035 56.287 0.187 0.000 0.933 388 K CB -0.313 32.337 32.500 0.251 0.000 0.721 388 K HN 0.311 nan 8.250 nan 0.000 0.447 389 Y N -0.466 119.912 120.300 0.129 0.000 2.461 389 Y HA 0.192 4.741 4.550 -0.000 0.000 0.277 389 Y C 1.176 177.244 175.900 0.281 0.000 1.182 389 Y CA 0.172 58.391 58.100 0.199 0.000 1.276 389 Y CB 0.583 39.175 38.460 0.221 0.000 1.087 389 Y HN 0.285 nan 8.280 nan 0.000 0.519 390 G N 1.398 110.365 108.800 0.278 0.000 2.225 390 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 390 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 390 G C 0.258 175.278 174.900 0.200 0.000 1.024 390 G CA 0.757 45.975 45.100 0.196 0.000 0.784 390 G HN 0.417 nan 8.290 nan 0.000 0.507 391 T N -0.234 114.441 114.554 0.203 0.000 2.801 391 T HA 0.613 4.963 4.350 -0.000 0.000 0.306 391 T C 0.578 175.330 174.700 0.086 0.000 1.020 391 T CA -0.931 61.269 62.100 0.165 0.000 0.948 391 T CB 0.526 69.486 68.868 0.154 0.000 0.962 391 T HN 0.486 nan 8.240 nan 0.000 0.465 392 L N 7.152 128.412 121.223 0.063 0.000 2.462 392 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 392 L C -1.818 175.076 176.870 0.041 0.000 1.166 392 L CA -1.849 52.963 54.840 -0.048 0.000 0.880 392 L CB 0.208 42.132 42.059 -0.225 0.000 1.142 392 L HN 0.486 nan 8.230 nan 0.000 0.473 393 P HA 0.144 nan 4.420 nan 0.000 0.280 393 P C -0.868 176.517 177.300 0.143 0.000 1.244 393 P CA -0.285 62.835 63.100 0.034 0.000 0.784 393 P CB 1.373 33.047 31.700 -0.043 0.000 0.913 394 L N 5.113 126.464 121.223 0.214 0.000 2.294 394 L HA 0.510 4.850 4.340 -0.000 0.000 0.283 394 L C -0.425 176.599 176.870 0.258 0.000 1.015 394 L CA -0.784 54.246 54.840 0.316 0.000 0.831 394 L CB 1.029 43.287 42.059 0.332 0.000 1.217 394 L HN 0.218 nan 8.230 nan 0.000 0.420 395 V N 1.810 121.861 119.914 0.228 0.000 3.040 395 V HA 0.610 4.730 4.120 -0.000 0.000 0.312 395 V C -0.527 175.474 176.094 -0.155 0.000 1.115 395 V CA -1.053 61.294 62.300 0.079 0.000 0.998 395 V CB 1.917 33.721 31.823 -0.032 0.000 1.042 395 V HN 0.807 nan 8.190 nan 0.000 0.433 396 R N 1.398 121.626 120.500 -0.455 0.000 2.441 396 R HA 0.394 4.734 4.340 -0.000 0.000 0.284 396 R C 0.293 176.374 176.300 -0.366 0.000 1.070 396 R CA -0.607 54.984 56.100 -0.848 0.000 1.047 396 R CB 0.781 30.639 30.300 -0.738 0.000 1.016 396 R HN 0.858 nan 8.270 nan 0.000 0.477 397 R N 2.544 122.868 120.500 -0.293 0.000 3.247 397 R HA 0.018 4.358 4.340 -0.000 0.000 0.212 397 R C -0.963 175.281 176.300 -0.093 0.000 1.604 397 R CA 0.458 56.474 56.100 -0.141 0.000 1.279 397 R CB -0.031 30.218 30.300 -0.086 0.000 1.277 397 R HN 0.446 nan 8.270 nan 0.000 0.669 398 T N 1.153 115.652 114.554 -0.091 0.000 2.956 398 T HA 0.520 4.870 4.350 -0.000 0.000 0.312 398 T C 0.233 174.882 174.700 -0.085 0.000 1.151 398 T CA 0.463 62.533 62.100 -0.050 0.000 1.024 398 T CB 1.356 70.261 68.868 0.063 0.000 1.140 398 T HN 0.744 nan 8.240 nan 0.000 0.473 399 G N 3.043 111.775 108.800 -0.114 0.000 2.596 399 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.295 399 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.295 399 G C 1.266 176.105 174.900 -0.101 0.000 1.240 399 G CA 0.619 45.665 45.100 -0.091 0.000 0.985 399 G HN 1.655 nan 8.290 nan 0.000 0.555 400 G N -0.312 108.408 108.800 -0.134 0.000 2.470 400 G HA2 0.131 4.091 3.960 -0.000 0.000 0.220 400 G HA3 0.131 4.091 3.960 -0.000 0.000 0.220 400 G C 1.910 176.711 174.900 -0.165 0.000 1.121 400 G CA 1.398 46.408 45.100 -0.149 0.000 0.766 400 G HN 0.770 nan 8.290 nan 0.000 0.553 401 L N 0.513 121.639 121.223 -0.162 0.000 2.083 401 L HA -0.051 4.288 4.340 -0.000 0.000 0.209 401 L C 3.298 180.098 176.870 -0.116 0.000 1.083 401 L CA 1.024 55.773 54.840 -0.151 0.000 0.752 401 L CB -0.445 41.528 42.059 -0.143 0.000 0.899 401 L HN 0.271 nan 8.230 nan 0.000 0.433 402 A N -0.424 122.335 122.820 -0.101 0.000 2.015 402 A HA -0.174 4.145 4.320 -0.000 0.000 0.219 402 A C 1.851 179.397 177.584 -0.063 0.000 1.163 402 A CA 1.598 53.589 52.037 -0.077 0.000 0.646 402 A CB -0.316 18.640 19.000 -0.072 0.000 0.806 402 A HN 0.341 nan 8.150 nan 0.000 0.448 403 D N -1.022 119.337 120.400 -0.068 0.000 2.323 403 D HA -0.037 4.603 4.640 -0.000 0.000 0.209 403 D C 1.786 178.077 176.300 -0.015 0.000 0.973 403 D CA 1.756 55.730 54.000 -0.044 0.000 0.874 403 D CB 0.108 40.880 40.800 -0.048 0.000 0.930 403 D HN 0.645 nan 8.370 nan 0.000 0.521 404 T N -3.124 111.404 114.554 -0.042 0.000 2.958 404 T HA 0.223 4.573 4.350 -0.000 0.000 0.256 404 T C 0.581 175.288 174.700 0.012 0.000 0.983 404 T CA -0.215 61.889 62.100 0.007 0.000 0.924 404 T CB 0.528 69.268 68.868 -0.214 0.000 1.136 404 T HN -0.215 nan 8.240 nan 0.000 0.506 405 V N 2.217 122.102 119.914 -0.048 0.000 2.459 405 V HA 0.638 4.758 4.120 -0.000 0.000 0.295 405 V C -0.436 175.621 176.094 -0.061 0.000 1.029 405 V CA -0.742 61.522 62.300 -0.062 0.000 0.874 405 V CB 1.728 33.502 31.823 -0.081 0.000 0.985 405 V HN 0.342 nan 8.190 nan 0.000 0.438 406 S N 2.789 118.441 115.700 -0.079 0.000 2.433 406 S HA 0.326 4.796 4.470 -0.000 0.000 0.310 406 S C -0.412 174.124 174.600 -0.107 0.000 1.097 406 S CA -0.500 57.654 58.200 -0.077 0.000 1.103 406 S CB 1.167 64.322 63.200 -0.075 0.000 0.992 406 S HN 0.904 nan 8.310 nan 0.000 0.469 407 D N 1.061 121.421 120.400 -0.067 0.000 2.400 407 D HA -0.000 4.640 4.640 -0.000 0.000 0.238 407 D C -0.041 176.214 176.300 -0.075 0.000 1.157 407 D CA -0.297 53.670 54.000 -0.056 0.000 0.889 407 D CB 0.559 41.370 40.800 0.017 0.000 1.199 407 D HN 0.508 nan 8.370 nan 0.000 0.436 408 C N 3.712 122.955 119.300 -0.094 0.000 3.297 408 C HA 0.183 4.643 4.460 -0.000 0.000 0.533 408 C C 0.684 175.700 174.990 0.043 0.000 1.228 408 C CA -0.306 58.681 59.018 -0.051 0.000 1.402 408 C CB -2.794 24.908 27.740 -0.063 0.000 1.728 408 C HN 0.473 nan 8.230 nan 0.000 0.637 409 S N -0.081 115.638 115.700 0.033 0.000 2.645 409 S HA 0.454 4.924 4.470 -0.000 0.000 0.266 409 S C 1.139 175.767 174.600 0.046 0.000 1.258 409 S CA -0.697 57.532 58.200 0.049 0.000 0.990 409 S CB 0.729 63.953 63.200 0.040 0.000 0.967 409 S HN 0.470 nan 8.310 nan 0.000 0.556 410 L N 0.617 121.868 121.223 0.047 0.000 1.990 410 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 410 L C 2.715 179.606 176.870 0.035 0.000 1.072 410 L CA 1.987 56.851 54.840 0.040 0.000 0.755 410 L CB -1.035 41.045 42.059 0.035 0.000 0.889 410 L HN 0.719 nan 8.230 nan 0.000 0.432 411 E N 0.049 120.267 120.200 0.030 0.000 2.051 411 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 411 E C 1.896 178.514 176.600 0.029 0.000 0.991 411 E CA 1.240 57.656 56.400 0.025 0.000 0.799 411 E CB -0.443 29.269 29.700 0.019 0.000 0.748 411 E HN 0.391 nan 8.360 nan 0.000 0.449 412 N N 0.318 119.033 118.700 0.025 0.000 2.188 412 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 412 N C 1.766 177.308 175.510 0.053 0.000 1.018 412 N CA 0.777 53.838 53.050 0.017 0.000 0.858 412 N CB -0.205 38.276 38.487 -0.009 0.000 0.989 412 N HN 0.164 nan 8.380 nan 0.000 0.426 413 L N 0.406 121.677 121.223 0.080 0.000 2.056 413 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 413 L C 2.324 179.296 176.870 0.170 0.000 1.078 413 L CA 1.141 56.082 54.840 0.167 0.000 0.749 413 L CB -0.434 41.695 42.059 0.116 0.000 0.901 413 L HN 0.117 nan 8.230 nan 0.000 0.433 414 A N -0.508 122.361 122.820 0.080 0.000 1.930 414 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 414 A C 1.746 179.374 177.584 0.073 0.000 1.175 414 A CA 1.754 53.823 52.037 0.053 0.000 0.627 414 A CB -0.387 18.628 19.000 0.025 0.000 0.815 414 A HN 0.332 nan 8.150 nan 0.000 0.443 415 D N -0.952 119.488 120.400 0.067 0.000 2.349 415 D HA 0.234 4.874 4.640 -0.000 0.000 0.224 415 D C 1.280 177.619 176.300 0.064 0.000 1.029 415 D CA 1.053 55.083 54.000 0.050 0.000 0.879 415 D CB -0.164 40.649 40.800 0.021 0.000 0.906 415 D HN 0.578 nan 8.370 nan 0.000 0.528 416 G N 0.431 109.312 108.800 0.134 0.000 2.198 416 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 416 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 416 G C 0.807 175.653 174.900 -0.090 0.000 1.042 416 G CA 0.376 45.534 45.100 0.098 0.000 0.791 416 G HN 0.361 nan 8.290 nan 0.000 0.502 417 V N -0.445 119.431 119.914 -0.062 0.000 3.562 417 V HA 0.566 4.686 4.120 -0.000 0.000 0.270 417 V C 1.873 177.897 176.094 -0.117 0.000 1.418 417 V CA 1.034 63.278 62.300 -0.093 0.000 1.033 417 V CB 0.345 32.136 31.823 -0.053 0.000 0.820 417 V HN 1.263 nan 8.190 nan 0.000 0.441 418 A N 0.833 123.589 122.820 -0.106 0.000 2.546 418 A HA 0.355 4.675 4.320 -0.000 0.000 0.243 418 A C 1.117 178.564 177.584 -0.228 0.000 1.063 418 A CA 1.022 52.974 52.037 -0.142 0.000 0.757 418 A CB 0.142 19.087 19.000 -0.093 0.000 0.991 418 A HN 0.764 nan 8.150 nan 0.000 0.503 419 S N 0.849 116.397 115.700 -0.254 0.000 2.820 419 S HA 0.547 5.017 4.470 -0.000 0.000 0.265 419 S C 0.627 175.005 174.600 -0.370 0.000 1.043 419 S CA 0.514 58.547 58.200 -0.279 0.000 1.245 419 S CB -0.162 62.932 63.200 -0.176 0.000 1.187 419 S HN 2.100 nan 8.310 nan 0.000 0.673 420 G N 0.631 109.138 108.800 -0.489 0.000 2.450 420 G HA2 0.533 4.493 3.960 -0.000 0.000 0.273 420 G HA3 0.533 4.493 3.960 -0.000 0.000 0.273 420 G C -2.190 172.223 174.900 -0.813 0.000 1.221 420 G CA -0.780 43.906 45.100 -0.690 0.000 0.900 420 G HN 0.206 nan 8.290 nan 0.000 0.483 421 F N 0.084 120.022 119.950 -0.020 0.000 2.518 421 F HA 0.665 5.192 4.527 -0.000 0.000 0.323 421 F C -0.093 175.755 175.800 0.082 0.000 1.129 421 F CA -0.920 57.102 58.000 0.038 0.000 0.920 421 F CB 2.719 41.759 39.000 0.067 0.000 1.160 421 F HN 0.241 nan 8.300 nan 0.000 0.440 422 V N 4.430 124.490 119.914 0.243 0.000 2.487 422 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 422 V C -0.517 175.721 176.094 0.240 0.000 1.028 422 V CA -0.935 61.463 62.300 0.162 0.000 0.860 422 V CB 1.500 33.351 31.823 0.048 0.000 0.991 422 V HN 0.619 nan 8.190 nan 0.000 0.427 423 F N 1.809 121.802 119.950 0.073 0.000 2.575 423 F HA 0.763 5.290 4.527 -0.000 0.000 0.330 423 F C 0.786 176.631 175.800 0.075 0.000 1.056 423 F CA -0.735 57.305 58.000 0.065 0.000 0.964 423 F CB 1.544 40.571 39.000 0.045 0.000 1.258 423 F HN 0.321 nan 8.300 nan 0.000 0.484 424 E N 0.098 120.387 120.200 0.147 0.000 2.132 424 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 424 E C -0.551 176.089 176.600 0.066 0.000 0.951 424 E CA 0.648 57.077 56.400 0.048 0.000 0.843 424 E CB 0.001 29.771 29.700 0.116 0.000 0.807 424 E HN 0.631 nan 8.360 nan 0.000 0.467 425 D N 0.740 121.291 120.400 0.251 0.000 2.185 425 D HA 0.193 4.833 4.640 -0.000 0.000 0.247 425 D C -0.476 176.032 176.300 0.348 0.000 1.027 425 D CA -0.300 53.846 54.000 0.244 0.000 0.861 425 D CB 1.633 42.577 40.800 0.240 0.000 1.202 425 D HN -0.272 nan 8.370 nan 0.000 0.453 426 S N 1.631 117.479 115.700 0.247 0.000 4.053 426 S HA 0.106 4.575 4.470 -0.000 0.000 0.184 426 S C 0.173 174.908 174.600 0.225 0.000 1.324 426 S CA -0.470 57.890 58.200 0.266 0.000 0.956 426 S CB -1.179 62.130 63.200 0.180 0.000 1.503 426 S HN 0.481 nan 8.310 nan 0.000 0.440 427 N N -1.071 117.781 118.700 0.254 0.000 2.416 427 N HA 0.630 5.370 4.740 -0.000 0.000 0.276 427 N C 0.430 176.013 175.510 0.121 0.000 1.261 427 N CA -0.655 52.499 53.050 0.173 0.000 0.790 427 N CB 0.666 39.255 38.487 0.170 0.000 1.554 427 N HN -0.067 nan 8.380 nan 0.000 0.481 428 A N 0.013 122.878 122.820 0.074 0.000 1.972 428 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 428 A C 1.622 179.204 177.584 -0.003 0.000 1.169 428 A CA 1.171 53.206 52.037 -0.004 0.000 0.635 428 A CB -1.223 17.780 19.000 0.005 0.000 0.810 428 A HN 0.844 nan 8.150 nan 0.000 0.446 429 W N 0.417 121.681 121.300 -0.061 0.000 2.379 429 W HA -0.154 4.506 4.660 0.000 0.000 0.307 429 W C 2.679 179.160 176.519 -0.064 0.000 1.200 429 W CA 1.966 59.279 57.345 -0.053 0.000 1.297 429 W CB -0.331 29.118 29.460 -0.019 0.000 1.140 429 W HN 0.263 nan 8.180 nan 0.000 0.507 430 S N 0.293 116.125 115.700 0.220 0.000 2.368 430 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 430 S C 1.926 176.321 174.600 -0.341 0.000 1.030 430 S CA 1.648 59.897 58.200 0.081 0.000 0.999 430 S CB -0.890 62.556 63.200 0.410 0.000 0.844 430 S HN 0.311 nan 8.310 nan 0.000 0.459 431 L N 1.652 122.476 121.223 -0.665 0.000 2.012 431 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 431 L C 2.115 178.622 176.870 -0.606 0.000 1.073 431 L CA 1.816 55.986 54.840 -1.116 0.000 0.748 431 L CB -0.814 40.735 42.059 -0.850 0.000 0.891 431 L HN 0.399 nan 8.230 nan 0.000 0.431 432 L N -0.905 120.045 121.223 -0.456 0.000 2.191 432 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 432 L C 2.705 179.333 176.870 -0.403 0.000 1.103 432 L CA 0.590 55.199 54.840 -0.384 0.000 0.769 432 L CB -0.505 41.351 42.059 -0.339 0.000 0.908 432 L HN 0.248 nan 8.230 nan 0.000 0.438 433 R N -0.044 120.132 120.500 -0.540 0.000 2.081 433 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 433 R C 2.291 178.469 176.300 -0.203 0.000 1.131 433 R CA 1.440 57.279 56.100 -0.435 0.000 0.960 433 R CB -1.114 28.836 30.300 -0.584 0.000 0.856 433 R HN 0.344 nan 8.270 nan 0.000 0.436 434 A N 0.815 123.536 122.820 -0.165 0.000 1.930 434 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 434 A C 2.337 179.844 177.584 -0.128 0.000 1.175 434 A CA 1.072 53.089 52.037 -0.034 0.000 0.627 434 A CB -0.476 18.588 19.000 0.107 0.000 0.815 434 A HN 0.205 nan 8.150 nan 0.000 0.443 435 I N -1.157 119.314 120.570 -0.164 0.000 2.226 435 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 435 I C 2.794 178.949 176.117 0.063 0.000 1.100 435 I CA 1.169 62.406 61.300 -0.106 0.000 1.374 435 I CB -0.296 37.589 38.000 -0.193 0.000 1.057 435 I HN 0.259 nan 8.210 nan 0.000 0.413 436 R N 0.857 121.369 120.500 0.021 0.000 2.081 436 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 436 R C 2.363 178.731 176.300 0.113 0.000 1.131 436 R CA 1.483 57.639 56.100 0.094 0.000 0.960 436 R CB -0.489 29.791 30.300 -0.034 0.000 0.856 436 R HN 0.315 nan 8.270 nan 0.000 0.436 437 R N -0.021 120.497 120.500 0.029 0.000 2.103 437 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 437 R C 2.076 178.385 176.300 0.014 0.000 1.142 437 R CA 1.764 57.912 56.100 0.080 0.000 0.960 437 R CB -0.246 30.145 30.300 0.152 0.000 0.858 437 R HN 0.241 nan 8.270 nan 0.000 0.439 438 A N 0.015 122.593 122.820 -0.404 0.000 1.902 438 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 438 A C 1.969 179.578 177.584 0.042 0.000 1.181 438 A CA 1.200 52.873 52.037 -0.607 0.000 0.623 438 A CB -0.701 17.764 19.000 -0.892 0.000 0.818 438 A HN 0.389 nan 8.150 nan 0.000 0.443 439 F N -0.194 119.815 119.950 0.098 0.000 2.171 439 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 439 F C 2.428 178.361 175.800 0.223 0.000 1.090 439 F CA 1.506 59.599 58.000 0.155 0.000 1.293 439 F CB -0.330 38.708 39.000 0.063 0.000 1.013 439 F HN 0.035 nan 8.300 nan 0.000 0.486 440 V N -0.185 119.940 119.914 0.351 0.000 2.295 440 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 440 V C 2.228 178.512 176.094 0.317 0.000 1.049 440 V CA 1.670 64.136 62.300 0.277 0.000 1.024 440 V CB -0.630 31.316 31.823 0.205 0.000 0.648 440 V HN 0.275 nan 8.190 nan 0.000 0.447 441 L N -0.599 120.877 121.223 0.421 0.000 2.141 441 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 441 L C 2.131 179.382 176.870 0.635 0.000 1.094 441 L CA 1.747 56.899 54.840 0.520 0.000 0.763 441 L CB -0.588 41.856 42.059 0.642 0.000 0.908 441 L HN 0.532 nan 8.230 nan 0.000 0.437 442 W N -0.048 121.482 121.300 0.384 0.000 2.374 442 W HA -0.204 4.456 4.660 -0.001 0.000 0.288 442 W C 2.315 178.823 176.519 -0.017 0.000 1.218 442 W CA 1.522 58.833 57.345 -0.056 0.000 1.245 442 W CB -0.227 29.012 29.460 -0.368 0.000 1.126 442 W HN 0.519 nan 8.180 nan 0.000 0.545 443 S N 0.895 116.707 115.700 0.186 0.000 2.561 443 S HA 0.023 4.493 4.470 -0.000 0.000 0.225 443 S C 0.750 175.360 174.600 0.017 0.000 0.977 443 S CA 0.266 58.516 58.200 0.083 0.000 0.926 443 S CB -0.280 63.011 63.200 0.152 0.000 0.769 443 S HN 0.130 nan 8.310 nan 0.000 0.533 444 R N 1.091 121.618 120.500 0.045 0.000 2.587 444 R HA 0.300 4.640 4.340 -0.000 0.000 0.283 444 R C -2.628 173.684 176.300 0.021 0.000 1.472 444 R CA -1.789 54.333 56.100 0.037 0.000 1.578 444 R CB 0.625 30.976 30.300 0.086 0.000 1.130 444 R HN 0.228 nan 8.270 nan 0.000 0.602 445 P HA -0.217 nan 4.420 nan 0.000 0.216 445 P C 1.503 178.810 177.300 0.011 0.000 1.150 445 P CA 1.525 64.538 63.100 -0.145 0.000 0.843 445 P CB 0.310 31.871 31.700 -0.233 0.000 0.787 446 S N -1.780 113.931 115.700 0.018 0.000 2.461 446 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 446 S C 1.911 176.573 174.600 0.104 0.000 1.005 446 S CA 0.450 58.679 58.200 0.049 0.000 0.942 446 S CB -1.260 61.944 63.200 0.007 0.000 0.776 446 S HN 0.055 nan 8.310 nan 0.000 0.514 447 L N -0.173 121.117 121.223 0.111 0.000 2.095 447 L HA 0.034 4.374 4.340 -0.000 0.000 0.204 447 L C 2.621 179.641 176.870 0.249 0.000 1.080 447 L CA 1.160 56.093 54.840 0.155 0.000 0.759 447 L CB -0.418 41.712 42.059 0.118 0.000 0.914 447 L HN 0.545 nan 8.230 nan 0.000 0.439 448 W N 1.402 122.742 121.300 0.067 0.000 2.318 448 W HA -0.319 4.340 4.660 -0.000 0.000 0.313 448 W C 2.631 179.186 176.519 0.060 0.000 1.221 448 W CA 1.965 59.351 57.345 0.069 0.000 1.266 448 W CB -0.245 29.208 29.460 -0.011 0.000 1.150 448 W HN 0.144 nan 8.180 nan 0.000 0.496 449 R N 0.407 121.093 120.500 0.310 0.000 2.081 449 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 449 R C 2.340 178.723 176.300 0.139 0.000 1.131 449 R CA 2.087 58.309 56.100 0.203 0.000 0.960 449 R CB -1.921 28.469 30.300 0.151 0.000 0.856 449 R HN 0.191 nan 8.270 nan 0.000 0.436 450 F N -0.016 119.935 119.950 0.001 0.000 2.095 450 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 450 F C 1.882 177.634 175.800 -0.080 0.000 1.104 450 F CA 1.834 59.815 58.000 -0.031 0.000 1.232 450 F CB -0.436 38.551 39.000 -0.023 0.000 0.987 450 F HN -0.104 nan 8.300 nan 0.000 0.475 451 V N 0.332 120.184 119.914 -0.105 0.000 2.358 451 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 451 V C 2.353 178.256 176.094 -0.318 0.000 1.047 451 V CA 2.146 64.265 62.300 -0.302 0.000 1.035 451 V CB -0.893 30.722 31.823 -0.346 0.000 0.658 451 V HN 0.387 nan 8.190 nan 0.000 0.452 452 Q N -0.264 119.379 119.800 -0.261 0.000 2.112 452 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 452 Q C 2.515 178.452 176.000 -0.104 0.000 0.987 452 Q CA 1.958 57.673 55.803 -0.146 0.000 0.858 452 Q CB -0.206 28.530 28.738 -0.005 0.000 0.905 452 Q HN 0.592 nan 8.270 nan 0.000 0.420 453 R N -0.212 120.216 120.500 -0.120 0.000 2.115 453 R HA -0.133 4.207 4.340 -0.000 0.000 0.226 453 R C 2.257 178.449 176.300 -0.180 0.000 1.100 453 R CA 1.096 57.127 56.100 -0.114 0.000 0.980 453 R CB -0.097 30.147 30.300 -0.093 0.000 0.875 453 R HN 0.154 nan 8.270 nan 0.000 0.445 454 Q N 1.089 120.715 119.800 -0.291 0.000 2.079 454 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 454 Q C 1.937 177.821 176.000 -0.193 0.000 0.974 454 Q CA 1.929 57.558 55.803 -0.290 0.000 0.840 454 Q CB -0.255 28.235 28.738 -0.413 0.000 0.898 454 Q HN 0.292 nan 8.270 nan 0.000 0.430 455 A N 0.345 123.060 122.820 -0.176 0.000 1.892 455 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 455 A C 2.106 179.662 177.584 -0.045 0.000 1.188 455 A CA 2.022 53.997 52.037 -0.104 0.000 0.631 455 A CB -0.669 18.267 19.000 -0.108 0.000 0.822 455 A HN 0.530 nan 8.150 nan 0.000 0.447 456 M N -0.606 118.967 119.600 -0.044 0.000 2.549 456 M HA -0.036 4.444 4.480 -0.000 0.000 0.260 456 M C 2.141 178.407 176.300 -0.057 0.000 1.076 456 M CA 0.916 56.203 55.300 -0.022 0.000 1.090 456 M CB -0.210 32.388 32.600 -0.003 0.000 1.418 456 M HN 0.488 nan 8.290 nan 0.000 0.486 457 A N -0.146 122.618 122.820 -0.093 0.000 2.123 457 A HA 0.114 4.433 4.320 -0.000 0.000 0.214 457 A C 1.144 178.635 177.584 -0.154 0.000 1.152 457 A CA 0.355 52.323 52.037 -0.116 0.000 0.728 457 A CB -0.090 18.832 19.000 -0.131 0.000 0.814 457 A HN 0.258 nan 8.150 nan 0.000 0.464 458 M N 1.014 120.516 119.600 -0.163 0.000 2.248 458 M HA 0.173 4.653 4.480 -0.000 0.000 0.345 458 M C -0.818 175.230 176.300 -0.421 0.000 1.243 458 M CA 0.194 55.313 55.300 -0.301 0.000 1.090 458 M CB -0.095 32.404 32.600 -0.169 0.000 1.683 458 M HN 0.229 nan 8.290 nan 0.000 0.450 459 D N 2.620 122.605 120.400 -0.691 0.000 2.502 459 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 459 D C -1.736 174.033 176.300 -0.886 0.000 1.092 459 D CA -0.206 53.458 54.000 -0.559 0.000 0.839 459 D CB 0.812 41.432 40.800 -0.301 0.000 1.264 459 D HN 0.324 nan 8.370 nan 0.000 0.511 460 F N 2.146 122.029 119.950 -0.111 0.000 2.532 460 F HA 0.306 4.833 4.527 -0.000 0.000 0.365 460 F C 0.180 175.846 175.800 -0.224 0.000 1.112 460 F CA -0.896 56.993 58.000 -0.185 0.000 1.082 460 F CB 1.762 40.636 39.000 -0.210 0.000 1.319 460 F HN 0.141 nan 8.300 nan 0.000 0.457 461 S N 2.426 118.067 115.700 -0.099 0.000 2.437 461 S HA 0.242 4.712 4.470 -0.000 0.000 0.305 461 S C 0.615 175.174 174.600 -0.068 0.000 1.109 461 S CA -0.584 57.580 58.200 -0.060 0.000 1.099 461 S CB 0.669 63.859 63.200 -0.016 0.000 1.004 461 S HN 0.717 nan 8.310 nan 0.000 0.475 462 W N 2.777 124.152 121.300 0.125 0.000 2.358 462 W HA -0.102 4.558 4.660 -0.000 0.000 0.303 462 W C 2.482 179.079 176.519 0.132 0.000 1.208 462 W CA 0.709 58.135 57.345 0.136 0.000 1.274 462 W CB -0.001 29.537 29.460 0.130 0.000 1.138 462 W HN 0.749 nan 8.180 nan 0.000 0.515 463 Q N -0.293 119.701 119.800 0.322 0.000 2.167 463 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 463 Q C 2.061 178.164 176.000 0.171 0.000 0.970 463 Q CA 1.455 57.395 55.803 0.229 0.000 0.855 463 Q CB -0.394 28.443 28.738 0.165 0.000 0.911 463 Q HN 0.219 nan 8.270 nan 0.000 0.438 464 V N 0.786 120.772 119.914 0.121 0.000 2.307 464 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 464 V C 2.290 178.431 176.094 0.079 0.000 1.045 464 V CA 1.773 64.112 62.300 0.064 0.000 1.024 464 V CB -0.950 30.875 31.823 0.004 0.000 0.651 464 V HN 0.374 nan 8.190 nan 0.000 0.449 465 A N 0.257 123.147 122.820 0.118 0.000 1.908 465 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 465 A C 2.450 180.202 177.584 0.281 0.000 1.181 465 A CA 2.307 54.442 52.037 0.163 0.000 0.627 465 A CB -0.928 18.245 19.000 0.290 0.000 0.818 465 A HN 0.604 nan 8.150 nan 0.000 0.445 466 A N -0.404 122.649 122.820 0.389 0.000 1.948 466 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 466 A C 2.125 179.859 177.584 0.249 0.000 1.177 466 A CA 2.230 54.502 52.037 0.392 0.000 0.636 466 A CB -0.481 18.714 19.000 0.325 0.000 0.815 466 A HN 0.592 nan 8.150 nan 0.000 0.449 467 K N -0.369 120.122 120.400 0.152 0.000 2.097 467 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 467 K C 2.240 178.854 176.600 0.024 0.000 1.050 467 K CA 1.462 57.800 56.287 0.085 0.000 0.938 467 K CB -0.140 32.393 32.500 0.054 0.000 0.718 467 K HN 0.465 nan 8.250 nan 0.000 0.442 468 S N -0.020 115.657 115.700 -0.038 0.000 2.355 468 S HA -0.127 4.342 4.470 -0.000 0.000 0.222 468 S C 1.715 176.191 174.600 -0.208 0.000 1.031 468 S CA 1.208 59.318 58.200 -0.150 0.000 0.993 468 S CB -0.428 62.622 63.200 -0.250 0.000 0.859 468 S HN 0.355 nan 8.310 nan 0.000 0.453 469 Y N 1.431 121.668 120.300 -0.104 0.000 2.224 469 Y HA -0.104 4.446 4.550 -0.000 0.000 0.289 469 Y C 2.717 178.202 175.900 -0.692 0.000 1.146 469 Y CA 1.205 59.079 58.100 -0.378 0.000 1.182 469 Y CB -0.160 38.160 38.460 -0.233 0.000 0.983 469 Y HN 0.103 nan 8.280 nan 0.000 0.524 470 R N 0.670 121.101 120.500 -0.115 0.000 2.073 470 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 470 R C 1.966 178.362 176.300 0.162 0.000 1.134 470 R CA 1.891 58.045 56.100 0.090 0.000 0.952 470 R CB -0.150 30.285 30.300 0.225 0.000 0.850 470 R HN 0.384 nan 8.270 nan 0.000 0.433 471 E N 0.514 120.746 120.200 0.053 0.000 2.049 471 E HA -0.247 4.103 4.350 -0.000 0.000 0.198 471 E C 2.042 178.659 176.600 0.029 0.000 1.007 471 E CA 1.493 57.922 56.400 0.048 0.000 0.809 471 E CB -0.168 29.520 29.700 -0.020 0.000 0.749 471 E HN 0.299 nan 8.360 nan 0.000 0.450 472 L N 0.154 121.320 121.223 -0.094 0.000 1.971 472 L HA -0.269 4.071 4.340 -0.000 0.000 0.215 472 L C 2.395 179.280 176.870 0.025 0.000 1.072 472 L CA 1.648 56.404 54.840 -0.140 0.000 0.758 472 L CB -0.377 41.535 42.059 -0.245 0.000 0.889 472 L HN 0.280 nan 8.230 nan 0.000 0.433 473 Y N -1.146 119.183 120.300 0.049 0.000 2.165 473 Y HA -0.290 4.260 4.550 -0.000 0.000 0.286 473 Y C 2.440 178.290 175.900 -0.085 0.000 1.155 473 Y CA 1.153 59.236 58.100 -0.029 0.000 1.164 473 Y CB -1.383 37.051 38.460 -0.044 0.000 0.978 473 Y HN 0.197 nan 8.280 nan 0.000 0.513 474 Y N -0.405 119.994 120.300 0.165 0.000 2.200 474 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 474 Y C 2.760 178.690 175.900 0.051 0.000 1.137 474 Y CA 1.528 59.683 58.100 0.092 0.000 1.163 474 Y CB -0.444 38.059 38.460 0.071 0.000 0.988 474 Y HN -0.049 nan 8.280 nan 0.000 0.518 475 R N 0.475 121.078 120.500 0.172 0.000 2.096 475 R HA -0.203 4.137 4.340 -0.000 0.000 0.240 475 R C 1.920 178.257 176.300 0.062 0.000 1.139 475 R CA 1.902 58.053 56.100 0.086 0.000 0.952 475 R CB -0.562 29.757 30.300 0.031 0.000 0.854 475 R HN 0.344 nan 8.270 nan 0.000 0.436 476 L N 0.211 121.466 121.223 0.053 0.000 2.201 476 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 476 L C 0.534 177.414 176.870 0.018 0.000 1.105 476 L CA 0.962 55.825 54.840 0.038 0.000 0.775 476 L CB -0.407 41.679 42.059 0.045 0.000 0.913 476 L HN 0.243 nan 8.230 nan 0.000 0.440 477 K N 0.000 120.405 120.400 0.008 0.000 2.780 477 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 477 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 477 K CB 0.000 32.508 32.500 0.013 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543