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 3guh_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 0.000 176.299 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.274 55.300 -0.044 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.011 0.000 1.302 2 Q N 2.608 122.350 119.800 -0.098 0.000 2.331 2 Q HA 0.867 5.207 4.340 -0.000 0.000 0.267 2 Q C -0.870 175.084 176.000 -0.077 0.000 1.006 2 Q CA -0.889 54.909 55.803 -0.008 0.000 0.818 2 Q CB 3.211 31.768 28.738 -0.302 0.000 1.276 2 Q HN 0.500 nan 8.270 nan 0.000 0.450 3 V N 2.921 122.887 119.914 0.087 0.000 2.680 3 V HA 0.461 4.580 4.120 -0.000 0.000 0.309 3 V C -1.032 175.151 176.094 0.148 0.000 1.052 3 V CA -0.869 61.370 62.300 -0.101 0.000 0.908 3 V CB 2.105 33.717 31.823 -0.351 0.000 1.001 3 V HN 0.581 nan 8.190 nan 0.000 0.431 4 L N 4.173 125.437 121.223 0.068 0.000 2.319 4 L HA 0.571 4.910 4.340 -0.000 0.000 0.281 4 L C -0.305 176.572 176.870 0.012 0.000 1.005 4 L CA -0.035 54.909 54.840 0.173 0.000 0.828 4 L CB 1.104 43.330 42.059 0.278 0.000 1.227 4 L HN 0.615 nan 8.230 nan 0.000 0.415 5 H N 4.291 123.472 119.070 0.185 0.000 2.610 5 H HA 0.428 4.984 4.556 -0.000 0.000 0.336 5 H C -0.812 174.641 175.328 0.208 0.000 1.087 5 H CA -0.270 55.898 56.048 0.200 0.000 1.405 5 H CB 1.679 31.493 29.762 0.087 0.000 1.460 5 H HN 0.354 nan 8.280 nan 0.000 0.538 6 V N 4.154 124.296 119.914 0.380 0.000 2.409 6 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 6 V C 0.267 176.563 176.094 0.335 0.000 1.020 6 V CA -0.493 61.985 62.300 0.298 0.000 0.848 6 V CB 0.892 32.875 31.823 0.266 0.000 0.990 6 V HN 1.069 nan 8.190 nan 0.000 0.430 7 C N 2.152 121.588 119.300 0.226 0.000 3.249 7 C HA 0.673 5.132 4.460 -0.000 0.000 0.350 7 C C 0.768 175.825 174.990 0.113 0.000 1.431 7 C CA -0.005 59.120 59.018 0.179 0.000 1.209 7 C CB 1.189 28.957 27.740 0.047 0.000 1.546 7 C HN 0.817 nan 8.230 nan 0.000 0.450 8 S N -1.000 114.741 115.700 0.069 0.000 2.666 8 S HA 0.416 4.886 4.470 -0.000 0.000 0.239 8 S C -0.172 174.452 174.600 0.039 0.000 1.031 8 S CA -0.185 58.072 58.200 0.095 0.000 1.015 8 S CB -0.225 63.020 63.200 0.076 0.000 0.981 8 S HN 0.890 nan 8.310 nan 0.000 0.547 9 E N 0.674 120.850 120.200 -0.039 0.000 2.446 9 E HA 0.640 4.990 4.350 -0.000 0.000 0.276 9 E C -1.465 175.088 176.600 -0.079 0.000 0.969 9 E CA -0.892 55.465 56.400 -0.071 0.000 0.800 9 E CB 1.913 31.566 29.700 -0.079 0.000 1.341 9 E HN 0.190 nan 8.360 nan 0.000 0.460 10 M N 2.302 121.860 119.600 -0.070 0.000 2.362 10 M HA 0.197 4.677 4.480 -0.000 0.000 0.242 10 M C -2.005 174.284 176.300 -0.020 0.000 0.995 10 M CA -0.443 54.821 55.300 -0.060 0.000 0.904 10 M CB 1.224 33.756 32.600 -0.115 0.000 2.202 10 M HN 0.665 nan 8.290 nan 0.000 0.464 11 F N 8.055 127.971 119.950 -0.055 0.000 2.471 11 F HA 0.469 4.996 4.527 -0.001 0.000 0.353 11 F C -1.568 174.233 175.800 0.001 0.000 1.113 11 F CA -0.647 57.351 58.000 -0.003 0.000 1.262 11 F CB 0.993 40.039 39.000 0.076 0.000 1.146 11 F HN 0.421 nan 8.300 nan 0.000 0.578 12 P HA -0.017 nan 4.420 nan 0.000 0.257 12 P C 1.494 178.457 177.300 -0.562 0.000 1.241 12 P CA 0.369 62.672 63.100 -1.329 0.000 0.816 12 P CB 0.317 31.317 31.700 -1.166 0.000 1.150 13 L N -0.477 120.480 121.223 -0.445 0.000 1.990 13 L HA -0.058 4.282 4.340 -0.000 0.000 0.213 13 L C 1.248 177.977 176.870 -0.234 0.000 1.072 13 L CA 1.866 56.493 54.840 -0.354 0.000 0.755 13 L CB -1.430 40.373 42.059 -0.427 0.000 0.889 13 L HN 0.090 nan 8.230 nan 0.000 0.432 14 L N -1.263 119.848 121.223 -0.187 0.000 2.588 14 L HA 0.454 4.794 4.340 -0.000 0.000 0.263 14 L C -0.818 175.987 176.870 -0.109 0.000 0.935 14 L CA -0.423 54.319 54.840 -0.162 0.000 0.891 14 L CB 1.401 43.351 42.059 -0.180 0.000 1.318 14 L HN 0.115 nan 8.230 nan 0.000 0.409 15 K N 2.031 122.371 120.400 -0.100 0.000 2.581 15 K HA 0.514 4.834 4.320 -0.000 0.000 0.249 15 K C -0.346 176.180 176.600 -0.124 0.000 0.966 15 K CA 0.280 56.559 56.287 -0.015 0.000 0.811 15 K CB 1.847 34.465 32.500 0.196 0.000 1.223 15 K HN 0.734 nan 8.250 nan 0.000 0.438 16 T N -0.339 114.171 114.554 -0.074 0.000 3.010 16 T HA 0.416 4.766 4.350 -0.000 0.000 0.257 16 T C 0.602 175.319 174.700 0.029 0.000 1.020 16 T CA 0.410 62.458 62.100 -0.087 0.000 0.938 16 T CB 0.572 69.434 68.868 -0.010 0.000 1.049 16 T HN 0.619 nan 8.240 nan 0.000 0.522 17 G N -0.448 108.392 108.800 0.067 0.000 2.490 17 G HA2 0.474 4.433 3.960 -0.000 0.000 0.308 17 G HA3 0.474 4.433 3.960 -0.000 0.000 0.308 17 G C 0.710 175.657 174.900 0.078 0.000 1.286 17 G CA -0.055 45.094 45.100 0.082 0.000 0.825 17 G HN 0.162 nan 8.290 nan 0.000 0.479 18 G N -0.309 108.520 108.800 0.049 0.000 2.442 18 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 18 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 18 G C 1.753 176.700 174.900 0.079 0.000 1.141 18 G CA 1.178 46.312 45.100 0.057 0.000 0.763 18 G HN 0.576 nan 8.290 nan 0.000 0.554 19 L N 0.575 121.810 121.223 0.021 0.000 2.051 19 L HA -0.221 4.119 4.340 -0.000 0.000 0.214 19 L C 3.120 179.940 176.870 -0.084 0.000 1.076 19 L CA 2.061 56.825 54.840 -0.127 0.000 0.758 19 L CB -0.487 41.407 42.059 -0.275 0.000 0.890 19 L HN 0.357 nan 8.230 nan 0.000 0.433 20 A N -0.673 122.143 122.820 -0.007 0.000 1.930 20 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 20 A C 1.834 179.476 177.584 0.096 0.000 1.175 20 A CA 1.743 53.803 52.037 0.038 0.000 0.627 20 A CB -0.472 18.594 19.000 0.111 0.000 0.815 20 A HN 0.486 nan 8.150 nan 0.000 0.443 21 D N -0.179 120.292 120.400 0.118 0.000 2.117 21 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 21 D C 2.123 178.468 176.300 0.074 0.000 0.982 21 D CA 1.375 55.448 54.000 0.121 0.000 0.828 21 D CB -0.415 40.481 40.800 0.160 0.000 0.967 21 D HN 0.211 nan 8.370 nan 0.000 0.464 22 V N 1.734 121.691 119.914 0.072 0.000 2.255 22 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 22 V C 2.426 178.287 176.094 -0.389 0.000 1.051 22 V CA 1.111 63.343 62.300 -0.115 0.000 1.018 22 V CB -0.264 31.640 31.823 0.134 0.000 0.641 22 V HN 0.196 nan 8.190 nan 0.000 0.445 23 I N 1.021 121.419 120.570 -0.288 0.000 2.493 23 I HA -0.091 4.079 4.170 -0.000 0.000 0.254 23 I C 2.484 178.450 176.117 -0.251 0.000 1.160 23 I CA 1.736 62.817 61.300 -0.365 0.000 1.445 23 I CB -1.784 36.029 38.000 -0.310 0.000 1.086 23 I HN 0.415 nan 8.210 nan 0.000 0.433 24 G N -0.023 108.708 108.800 -0.114 0.000 2.598 24 G HA2 0.108 4.068 3.960 -0.000 0.000 0.215 24 G HA3 0.108 4.068 3.960 -0.000 0.000 0.215 24 G C 1.460 176.325 174.900 -0.060 0.000 1.131 24 G CA 0.868 45.976 45.100 0.014 0.000 0.785 24 G HN 0.493 nan 8.290 nan 0.000 0.539 25 A N -0.786 121.858 122.820 -0.293 0.000 2.027 25 A HA 0.427 4.747 4.320 -0.000 0.000 0.196 25 A C 1.852 179.052 177.584 -0.640 0.000 1.573 25 A CA 0.093 51.883 52.037 -0.413 0.000 1.097 25 A CB -0.160 18.564 19.000 -0.461 0.000 1.196 25 A HN 0.191 nan 8.150 nan 0.000 0.462 26 L N 0.515 121.189 121.223 -0.915 0.000 2.027 26 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 26 L C -0.909 175.795 176.870 -0.277 0.000 1.074 26 L CA 1.753 56.155 54.840 -0.730 0.000 0.745 26 L CB -0.712 40.890 42.059 -0.761 0.000 0.898 26 L HN 0.192 nan 8.230 nan 0.000 0.433 27 P HA -0.167 nan 4.420 nan 0.000 0.215 27 P C 1.471 178.779 177.300 0.013 0.000 1.157 27 P CA 1.910 64.978 63.100 -0.055 0.000 0.868 27 P CB -0.095 31.570 31.700 -0.058 0.000 0.788 28 A N 0.180 122.985 122.820 -0.025 0.000 1.892 28 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 28 A C 2.370 179.991 177.584 0.063 0.000 1.188 28 A CA 2.533 54.582 52.037 0.020 0.000 0.631 28 A CB -1.721 17.284 19.000 0.009 0.000 0.822 28 A HN 0.198 nan 8.150 nan 0.000 0.447 29 A N -0.767 122.094 122.820 0.068 0.000 1.892 29 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 29 A C 2.131 179.818 177.584 0.171 0.000 1.188 29 A CA 1.884 54.013 52.037 0.153 0.000 0.631 29 A CB -0.711 18.439 19.000 0.249 0.000 0.822 29 A HN 0.681 nan 8.150 nan 0.000 0.447 30 Q N -0.688 119.221 119.800 0.181 0.000 2.170 30 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 30 Q C 2.059 178.178 176.000 0.198 0.000 0.976 30 Q CA 1.274 57.216 55.803 0.231 0.000 0.858 30 Q CB -0.287 28.626 28.738 0.292 0.000 0.907 30 Q HN 0.703 nan 8.270 nan 0.000 0.433 31 I N 0.641 121.305 120.570 0.156 0.000 2.202 31 I HA -0.225 3.944 4.170 -0.000 0.000 0.242 31 I C 2.436 178.627 176.117 0.124 0.000 1.091 31 I CA 1.151 62.533 61.300 0.137 0.000 1.368 31 I CB -1.236 36.826 38.000 0.103 0.000 1.058 31 I HN 0.125 nan 8.210 nan 0.000 0.410 32 A N 0.602 123.490 122.820 0.113 0.000 1.958 32 A HA -0.303 4.017 4.320 -0.000 0.000 0.221 32 A C 1.855 179.505 177.584 0.109 0.000 1.178 32 A CA 2.462 54.560 52.037 0.101 0.000 0.642 32 A CB -0.816 18.243 19.000 0.098 0.000 0.816 32 A HN 0.492 nan 8.150 nan 0.000 0.453 33 D N -2.191 118.291 120.400 0.136 0.000 2.358 33 D HA 0.356 4.996 4.640 -0.000 0.000 0.224 33 D C 0.859 177.252 176.300 0.156 0.000 1.123 33 D CA 0.819 54.902 54.000 0.139 0.000 0.833 33 D CB -0.331 40.565 40.800 0.161 0.000 0.946 33 D HN 0.585 nan 8.370 nan 0.000 0.505 34 G N 0.262 109.155 108.800 0.154 0.000 2.212 34 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.255 34 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.255 34 G C -0.150 174.876 174.900 0.210 0.000 1.062 34 G CA 0.212 45.408 45.100 0.160 0.000 0.815 34 G HN 0.302 nan 8.290 nan 0.000 0.497 35 V N 0.159 120.209 119.914 0.227 0.000 2.540 35 V HA 0.498 4.618 4.120 -0.000 0.000 0.302 35 V C -0.227 176.003 176.094 0.226 0.000 1.035 35 V CA -0.735 61.716 62.300 0.253 0.000 0.873 35 V CB 2.018 34.036 31.823 0.326 0.000 0.992 35 V HN 0.345 nan 8.190 nan 0.000 0.428 36 D N 4.237 124.775 120.400 0.229 0.000 2.453 36 D HA 0.434 5.074 4.640 -0.000 0.000 0.223 36 D C 0.211 176.682 176.300 0.285 0.000 1.183 36 D CA 0.027 54.179 54.000 0.254 0.000 0.933 36 D CB 0.899 41.898 40.800 0.331 0.000 1.038 36 D HN 0.728 nan 8.370 nan 0.000 0.513 37 A N 4.368 127.319 122.820 0.218 0.000 2.328 37 A HA 0.666 4.986 4.320 -0.000 0.000 0.284 37 A C 0.294 177.951 177.584 0.121 0.000 1.160 37 A CA -0.503 51.665 52.037 0.217 0.000 0.818 37 A CB 0.584 19.743 19.000 0.266 0.000 1.087 37 A HN 0.582 nan 8.150 nan 0.000 0.504 38 R N 0.653 121.208 120.500 0.091 0.000 2.892 38 R HA 0.712 5.052 4.340 -0.000 0.000 0.265 38 R C -1.314 175.064 176.300 0.131 0.000 1.025 38 R CA -0.596 55.483 56.100 -0.035 0.000 0.982 38 R CB 2.369 32.431 30.300 -0.395 0.000 1.185 38 R HN 0.489 nan 8.270 nan 0.000 0.484 39 V N 2.406 122.375 119.914 0.090 0.000 2.604 39 V HA 0.417 4.537 4.120 -0.000 0.000 0.305 39 V C -0.803 175.400 176.094 0.183 0.000 1.043 39 V CA -0.854 61.530 62.300 0.140 0.000 0.888 39 V CB 1.903 33.749 31.823 0.038 0.000 0.995 39 V HN 0.495 nan 8.190 nan 0.000 0.429 40 L N 6.082 127.425 121.223 0.199 0.000 2.298 40 L HA 0.663 5.003 4.340 -0.000 0.000 0.284 40 L C -1.419 175.495 176.870 0.075 0.000 1.013 40 L CA -0.307 54.640 54.840 0.179 0.000 0.824 40 L CB 1.271 43.427 42.059 0.161 0.000 1.221 40 L HN 0.599 nan 8.230 nan 0.000 0.418 41 L N 6.039 127.260 121.223 -0.004 0.000 2.341 41 L HA 0.614 4.954 4.340 -0.000 0.000 0.267 41 L C -2.271 174.423 176.870 -0.293 0.000 1.009 41 L CA -1.972 52.800 54.840 -0.114 0.000 0.819 41 L CB 2.465 44.450 42.059 -0.122 0.000 1.323 41 L HN 0.468 nan 8.230 nan 0.000 0.425 42 P HA 0.028 nan 4.420 nan 0.000 0.269 42 P C -0.664 176.003 177.300 -1.056 0.000 1.209 42 P CA -0.261 62.100 63.100 -1.231 0.000 0.776 42 P CB 0.652 30.957 31.700 -2.326 0.000 0.876 43 A N 3.959 126.342 122.820 -0.729 0.000 3.004 43 A HA 0.162 4.482 4.320 -0.000 0.000 0.252 43 A C 0.059 177.437 177.584 -0.343 0.000 1.802 43 A CA -0.228 51.579 52.037 -0.383 0.000 1.424 43 A CB -1.850 17.058 19.000 -0.153 0.000 1.005 43 A HN 0.420 nan 8.150 nan 0.000 0.631 44 F N -0.115 119.690 119.950 -0.241 0.000 2.539 44 F HA 0.153 4.679 4.527 -0.000 0.000 0.340 44 F C -0.920 174.802 175.800 -0.130 0.000 1.185 44 F CA -1.595 56.301 58.000 -0.174 0.000 1.333 44 F CB 0.157 39.026 39.000 -0.219 0.000 1.152 44 F HN 0.228 nan 8.300 nan 0.000 0.602 45 P HA -0.157 nan 4.420 nan 0.000 0.215 45 P C 0.970 178.260 177.300 -0.017 0.000 1.153 45 P CA 1.457 64.570 63.100 0.021 0.000 0.853 45 P CB 0.137 31.846 31.700 0.015 0.000 0.788 46 D N -0.632 119.751 120.400 -0.028 0.000 2.144 46 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 46 D C 2.015 178.251 176.300 -0.106 0.000 0.984 46 D CA 1.035 54.990 54.000 -0.075 0.000 0.834 46 D CB -0.598 40.141 40.800 -0.101 0.000 0.955 46 D HN 0.214 nan 8.370 nan 0.000 0.465 47 I N 0.551 121.072 120.570 -0.082 0.000 2.163 47 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 47 I C 2.505 178.538 176.117 -0.139 0.000 1.081 47 I CA 0.753 61.969 61.300 -0.140 0.000 1.353 47 I CB -0.163 37.768 38.000 -0.115 0.000 1.054 47 I HN -0.118 nan 8.210 nan 0.000 0.407 48 R N 1.921 122.364 120.500 -0.096 0.000 2.103 48 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 48 R C 2.325 178.579 176.300 -0.076 0.000 1.142 48 R CA 1.882 57.932 56.100 -0.083 0.000 0.960 48 R CB -0.578 29.689 30.300 -0.056 0.000 0.858 48 R HN 0.467 nan 8.270 nan 0.000 0.439 49 R N -1.150 119.307 120.500 -0.072 0.000 2.236 49 R HA 0.076 4.416 4.340 -0.000 0.000 0.208 49 R C 1.900 178.162 176.300 -0.064 0.000 1.036 49 R CA 1.309 57.374 56.100 -0.058 0.000 1.001 49 R CB -0.542 29.732 30.300 -0.044 0.000 0.896 49 R HN 0.289 nan 8.270 nan 0.000 0.464 50 G N 1.075 109.808 108.800 -0.110 0.000 2.448 50 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.218 50 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.218 50 G C 0.477 175.364 174.900 -0.020 0.000 1.135 50 G CA 0.186 45.216 45.100 -0.117 0.000 0.784 50 G HN 0.144 nan 8.290 nan 0.000 0.543 51 V N 2.654 122.530 119.914 -0.064 0.000 2.222 51 V HA 0.150 4.270 4.120 -0.000 0.000 0.253 51 V C 1.394 177.473 176.094 -0.024 0.000 1.210 51 V CA 0.534 62.821 62.300 -0.021 0.000 1.079 51 V CB 0.118 31.876 31.823 -0.109 0.000 1.265 51 V HN 0.410 nan 8.190 nan 0.000 0.494 52 T N -1.408 113.149 114.554 0.004 0.000 3.148 52 T HA -0.034 4.316 4.350 -0.000 0.000 0.253 52 T C 0.777 175.462 174.700 -0.025 0.000 1.134 52 T CA 0.517 62.608 62.100 -0.015 0.000 1.051 52 T CB -0.275 68.587 68.868 -0.010 0.000 0.959 52 T HN 0.709 nan 8.240 nan 0.000 0.525 53 D N 0.730 121.110 120.400 -0.034 0.000 2.593 53 D HA 0.351 4.990 4.640 -0.000 0.000 0.241 53 D C 0.220 176.496 176.300 -0.040 0.000 1.257 53 D CA -0.641 53.341 54.000 -0.030 0.000 0.828 53 D CB -0.145 40.644 40.800 -0.019 0.000 1.049 53 D HN 0.415 nan 8.370 nan 0.000 0.490 54 A N 0.946 123.733 122.820 -0.055 0.000 2.404 54 A HA 0.364 4.684 4.320 -0.000 0.000 0.273 54 A C 0.388 177.970 177.584 -0.004 0.000 1.144 54 A CA -0.354 51.646 52.037 -0.062 0.000 0.806 54 A CB 0.563 19.522 19.000 -0.068 0.000 1.080 54 A HN 0.139 nan 8.150 nan 0.000 0.509 55 Q N 1.378 121.200 119.800 0.036 0.000 2.241 55 Q HA 0.444 4.784 4.340 -0.000 0.000 0.262 55 Q C -0.361 175.695 176.000 0.094 0.000 1.014 55 Q CA -0.889 54.951 55.803 0.063 0.000 0.885 55 Q CB 1.520 30.307 28.738 0.082 0.000 1.311 55 Q HN 0.449 nan 8.270 nan 0.000 0.461 56 V N 1.566 121.528 119.914 0.080 0.000 2.572 56 V HA 0.000 4.120 4.120 -0.000 0.000 0.291 56 V C 1.052 177.220 176.094 0.124 0.000 1.039 56 V CA 0.256 62.610 62.300 0.091 0.000 1.055 56 V CB 0.956 32.816 31.823 0.062 0.000 0.969 56 V HN 0.653 nan 8.190 nan 0.000 0.482 57 V N 3.162 123.164 119.914 0.147 0.000 2.908 57 V HA 0.198 4.317 4.120 -0.000 0.000 0.240 57 V C 0.697 176.866 176.094 0.124 0.000 1.117 57 V CA 1.268 63.668 62.300 0.167 0.000 1.133 57 V CB 0.836 32.788 31.823 0.215 0.000 0.857 57 V HN 1.005 nan 8.190 nan 0.000 0.478 58 S N -0.348 115.408 115.700 0.093 0.000 2.683 58 S HA 0.674 5.143 4.470 -0.000 0.000 0.269 58 S C -0.971 173.657 174.600 0.047 0.000 1.165 58 S CA -0.890 57.346 58.200 0.061 0.000 0.840 58 S CB 2.652 65.880 63.200 0.047 0.000 1.169 58 S HN 0.287 nan 8.310 nan 0.000 0.490 59 R N 0.270 120.787 120.500 0.028 0.000 2.510 59 R HA 0.622 4.962 4.340 -0.000 0.000 0.287 59 R C -1.414 174.890 176.300 0.006 0.000 1.084 59 R CA -0.414 55.690 56.100 0.006 0.000 0.934 59 R CB 1.245 31.528 30.300 -0.028 0.000 1.201 59 R HN 0.739 nan 8.270 nan 0.000 0.431 60 R N 2.041 122.561 120.500 0.034 0.000 2.795 60 R HA 0.288 4.628 4.340 -0.000 0.000 0.275 60 R C -1.209 175.149 176.300 0.097 0.000 0.981 60 R CA -1.103 55.037 56.100 0.066 0.000 0.917 60 R CB 1.944 32.333 30.300 0.149 0.000 1.202 60 R HN 0.617 nan 8.270 nan 0.000 0.469 61 D N -0.212 120.258 120.400 0.118 0.000 2.294 61 D HA 0.483 5.123 4.640 -0.000 0.000 0.250 61 D C -0.860 175.329 176.300 -0.186 0.000 1.058 61 D CA 0.348 54.419 54.000 0.118 0.000 0.950 61 D CB 1.441 42.323 40.800 0.137 0.000 1.158 61 D HN 0.289 nan 8.370 nan 0.000 0.453 62 T N 0.964 115.296 114.554 -0.370 0.000 2.830 62 T HA 0.146 4.496 4.350 -0.000 0.000 0.322 62 T C 0.447 174.782 174.700 -0.609 0.000 1.501 62 T CA -0.624 61.012 62.100 -0.773 0.000 1.036 62 T CB 0.244 68.555 68.868 -0.930 0.000 1.379 62 T HN 0.313 nan 8.240 nan 0.000 0.493 63 F N 0.708 120.371 119.950 -0.477 0.000 2.411 63 F HA 0.266 4.793 4.527 -0.000 0.000 0.299 63 F C 1.430 177.101 175.800 -0.216 0.000 1.077 63 F CA 0.897 58.725 58.000 -0.287 0.000 1.439 63 F CB -0.247 38.609 39.000 -0.241 0.000 1.085 63 F HN 0.423 nan 8.300 nan 0.000 0.564 64 A N 0.024 122.566 122.820 -0.464 0.000 2.571 64 A HA 0.674 4.994 4.320 -0.000 0.000 0.274 64 A C 1.035 178.538 177.584 -0.135 0.000 1.196 64 A CA 0.240 52.157 52.037 -0.199 0.000 0.957 64 A CB -0.641 18.180 19.000 -0.299 0.000 1.150 64 A HN 1.008 nan 8.150 nan 0.000 0.539 65 G N -0.770 107.872 108.800 -0.264 0.000 2.483 65 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.521 65 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.521 65 G C -0.732 174.023 174.900 -0.242 0.000 1.278 65 G CA -0.629 44.289 45.100 -0.303 0.000 0.965 65 G HN 0.576 nan 8.290 nan 0.000 0.504 66 H N 0.048 119.054 119.070 -0.107 0.000 2.690 66 H HA 0.521 5.077 4.556 -0.000 0.000 0.314 66 H C 1.028 176.342 175.328 -0.022 0.000 1.069 66 H CA 0.189 56.189 56.048 -0.079 0.000 1.436 66 H CB 0.803 30.519 29.762 -0.077 0.000 1.462 66 H HN 0.671 nan 8.280 nan 0.000 0.511 67 I N 0.561 121.185 120.570 0.091 0.000 2.525 67 I HA 0.423 4.593 4.170 -0.000 0.000 0.301 67 I C -0.097 176.055 176.117 0.058 0.000 0.992 67 I CA -0.725 60.611 61.300 0.060 0.000 1.162 67 I CB 2.170 40.197 38.000 0.046 0.000 1.332 67 I HN 0.426 nan 8.210 nan 0.000 0.458 68 T N 6.420 121.006 114.554 0.052 0.000 2.772 68 T HA 0.417 4.767 4.350 -0.000 0.000 0.288 68 T C -0.685 174.052 174.700 0.062 0.000 0.994 68 T CA -0.597 61.529 62.100 0.043 0.000 0.951 68 T CB 0.860 69.743 68.868 0.026 0.000 0.933 68 T HN 0.577 nan 8.240 nan 0.000 0.447 69 L N 6.907 128.175 121.223 0.076 0.000 2.361 69 L HA 0.508 4.848 4.340 -0.000 0.000 0.278 69 L C -0.758 176.198 176.870 0.142 0.000 1.113 69 L CA 0.017 54.918 54.840 0.102 0.000 0.849 69 L CB -0.024 42.088 42.059 0.088 0.000 1.155 69 L HN 0.668 nan 8.230 nan 0.000 0.452 70 L N 5.284 126.600 121.223 0.156 0.000 2.352 70 L HA 0.547 4.887 4.340 -0.000 0.000 0.269 70 L C -0.768 176.271 176.870 0.282 0.000 1.034 70 L CA -0.630 54.310 54.840 0.167 0.000 0.806 70 L CB 1.482 43.585 42.059 0.072 0.000 1.244 70 L HN 0.555 nan 8.230 nan 0.000 0.447 71 F N 0.152 120.105 119.950 0.005 0.000 2.561 71 F HA 0.768 5.295 4.527 0.000 0.000 0.313 71 F C -0.100 175.569 175.800 -0.219 0.000 1.126 71 F CA -0.172 57.724 58.000 -0.173 0.000 0.918 71 F CB 1.946 40.803 39.000 -0.238 0.000 1.199 71 F HN 0.469 nan 8.300 nan 0.000 0.444 72 G N 2.903 110.996 108.800 -1.177 0.000 2.870 72 G HA2 0.527 4.487 3.960 -0.000 0.000 0.299 72 G HA3 0.527 4.487 3.960 -0.000 0.000 0.299 72 G C -2.207 171.982 174.900 -1.185 0.000 1.324 72 G CA -0.734 43.856 45.100 -0.850 0.000 0.808 72 G HN 0.685 nan 8.290 nan 0.000 0.535 73 H N -1.725 117.063 119.070 -0.470 0.000 2.747 73 H HA 0.652 5.208 4.556 -0.000 0.000 0.371 73 H C -1.849 173.396 175.328 -0.137 0.000 1.161 73 H CA -0.359 55.483 56.048 -0.344 0.000 1.167 73 H CB 2.400 31.995 29.762 -0.278 0.000 1.732 73 H HN 0.535 nan 8.280 nan 0.000 0.544 74 Y N 1.964 122.188 120.300 -0.127 0.000 2.330 74 Y HA 0.206 4.755 4.550 -0.000 0.000 0.324 74 Y C -0.586 175.268 175.900 -0.077 0.000 1.093 74 Y CA -0.943 57.092 58.100 -0.108 0.000 1.103 74 Y CB 0.664 39.040 38.460 -0.139 0.000 1.183 74 Y HN 0.790 nan 8.280 nan 0.000 0.433 75 N N 4.026 122.331 118.700 -0.657 0.000 2.747 75 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 75 N C 0.862 176.273 175.510 -0.166 0.000 1.107 75 N CA 1.834 54.642 53.050 -0.404 0.000 0.707 75 N CB -1.244 37.066 38.487 -0.295 0.000 1.054 75 N HN 1.524 nan 8.380 nan 0.000 0.555 76 G N -2.290 106.434 108.800 -0.126 0.000 2.168 76 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 76 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 76 G C 0.132 175.043 174.900 0.018 0.000 0.977 76 G CA 1.014 46.084 45.100 -0.049 0.000 0.659 76 G HN 1.343 nan 8.290 nan 0.000 0.533 77 V N -0.185 119.733 119.914 0.006 0.000 2.667 77 V HA 0.898 5.018 4.120 -0.000 0.000 0.308 77 V C 0.754 176.775 176.094 -0.122 0.000 1.048 77 V CA 0.116 62.411 62.300 -0.007 0.000 0.928 77 V CB 1.766 33.583 31.823 -0.010 0.000 1.004 77 V HN 1.275 nan 8.190 nan 0.000 0.444 78 G N 6.227 114.904 108.800 -0.204 0.000 2.354 78 G HA2 0.493 4.453 3.960 -0.000 0.000 0.266 78 G HA3 0.493 4.453 3.960 -0.000 0.000 0.266 78 G C -0.476 174.144 174.900 -0.466 0.000 1.242 78 G CA -0.334 44.446 45.100 -0.534 0.000 0.923 78 G HN 0.627 nan 8.290 nan 0.000 0.476 79 I N 2.896 123.021 120.570 -0.742 0.000 2.389 79 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 79 I C -0.806 175.087 176.117 -0.374 0.000 0.999 79 I CA -1.501 59.559 61.300 -0.399 0.000 1.129 79 I CB 1.247 39.065 38.000 -0.303 0.000 1.288 79 I HN 0.350 nan 8.210 nan 0.000 0.444 80 Y N 5.870 126.186 120.300 0.027 0.000 2.313 80 Y HA 0.452 5.002 4.550 -0.000 0.000 0.332 80 Y C 0.301 176.189 175.900 -0.019 0.000 1.071 80 Y CA -0.318 57.842 58.100 0.099 0.000 1.169 80 Y CB 1.219 39.751 38.460 0.120 0.000 1.192 80 Y HN 0.319 nan 8.280 nan 0.000 0.487 81 L N 5.202 126.508 121.223 0.137 0.000 2.307 81 L HA 0.478 4.818 4.340 -0.000 0.000 0.284 81 L C -0.466 176.414 176.870 0.016 0.000 1.023 81 L CA -0.731 54.113 54.840 0.006 0.000 0.810 81 L CB 1.479 43.507 42.059 -0.052 0.000 1.231 81 L HN 0.525 nan 8.230 nan 0.000 0.423 82 I N 2.561 123.096 120.570 -0.059 0.000 2.278 82 I HA 0.046 4.216 4.170 -0.000 0.000 0.296 82 I C -0.032 176.109 176.117 0.040 0.000 1.121 82 I CA -0.008 61.299 61.300 0.012 0.000 1.267 82 I CB 0.291 38.321 38.000 0.049 0.000 1.447 82 I HN 0.511 nan 8.210 nan 0.000 0.509 83 D N 6.979 127.408 120.400 0.048 0.000 2.393 83 D HA 0.432 5.072 4.640 -0.000 0.000 0.232 83 D C -0.304 176.028 176.300 0.053 0.000 1.192 83 D CA -0.091 53.938 54.000 0.048 0.000 0.882 83 D CB 1.050 41.866 40.800 0.027 0.000 1.038 83 D HN 0.592 nan 8.370 nan 0.000 0.499 84 A N 5.131 127.974 122.820 0.038 0.000 3.127 84 A HA 0.429 4.749 4.320 -0.000 0.000 0.319 84 A C -2.054 175.391 177.584 -0.232 0.000 1.104 84 A CA -0.982 50.980 52.037 -0.124 0.000 0.802 84 A CB 1.186 19.965 19.000 -0.368 0.000 1.193 84 A HN 0.319 nan 8.150 nan 0.000 0.479 85 P HA -0.187 nan 4.420 nan 0.000 0.220 85 P C 1.246 178.485 177.300 -0.102 0.000 1.148 85 P CA 1.421 64.493 63.100 -0.047 0.000 0.803 85 P CB -0.143 31.568 31.700 0.017 0.000 0.782 86 H N -1.156 117.821 119.070 -0.154 0.000 2.545 86 H HA 0.081 4.637 4.556 -0.000 0.000 0.282 86 H C 1.444 176.630 175.328 -0.238 0.000 1.020 86 H CA 0.790 56.742 56.048 -0.160 0.000 1.243 86 H CB -0.952 28.726 29.762 -0.141 0.000 1.377 86 H HN 0.202 nan 8.280 nan 0.000 0.581 87 L N -1.058 119.637 121.223 -0.879 0.000 2.467 87 L HA 0.061 4.401 4.340 -0.000 0.000 0.213 87 L C 1.389 177.884 176.870 -0.626 0.000 1.053 87 L CA 0.206 54.508 54.840 -0.897 0.000 0.847 87 L CB 0.078 41.277 42.059 -1.434 0.000 1.075 87 L HN 0.049 nan 8.230 nan 0.000 0.479 88 Y N -1.861 118.258 120.300 -0.303 0.000 2.444 88 Y HA 0.162 4.712 4.550 -0.000 0.000 0.252 88 Y C 0.734 176.577 175.900 -0.094 0.000 1.091 88 Y CA -1.121 56.849 58.100 -0.216 0.000 1.276 88 Y CB 0.025 38.257 38.460 -0.380 0.000 1.170 88 Y HN -0.055 nan 8.280 nan 0.000 0.517 89 D N 2.454 122.866 120.400 0.020 0.000 2.600 89 D HA 0.102 4.742 4.640 -0.000 0.000 0.226 89 D C -0.315 175.992 176.300 0.011 0.000 1.119 89 D CA 0.167 54.184 54.000 0.028 0.000 1.051 89 D CB -0.271 40.535 40.800 0.009 0.000 1.106 89 D HN 0.193 nan 8.370 nan 0.000 0.491 90 R N 2.508 123.026 120.500 0.030 0.000 2.604 90 R HA 0.455 4.795 4.340 -0.000 0.000 0.281 90 R C -2.693 173.632 176.300 0.042 0.000 1.020 90 R CA -1.732 54.376 56.100 0.012 0.000 0.899 90 R CB 1.450 31.694 30.300 -0.093 0.000 1.205 90 R HN 0.118 nan 8.270 nan 0.000 0.450 91 P HA 0.245 nan 4.420 nan 0.000 0.274 91 P C 0.629 177.939 177.300 0.017 0.000 1.231 91 P CA 0.512 63.629 63.100 0.027 0.000 0.790 91 P CB 1.041 32.763 31.700 0.035 0.000 0.951 92 G N 0.952 109.724 108.800 -0.048 0.000 2.603 92 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.245 92 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.245 92 G C -0.039 174.743 174.900 -0.196 0.000 1.195 92 G CA 0.085 45.136 45.100 -0.081 0.000 0.953 92 G HN 0.766 nan 8.290 nan 0.000 0.566 93 S N 2.295 117.872 115.700 -0.206 0.000 2.548 93 S HA 0.526 4.995 4.470 -0.000 0.000 0.277 93 S C -0.387 173.890 174.600 -0.538 0.000 1.315 93 S CA -0.203 57.743 58.200 -0.423 0.000 1.050 93 S CB 1.226 64.038 63.200 -0.647 0.000 0.918 93 S HN 0.374 nan 8.310 nan 0.000 0.497 94 P HA -0.128 nan 4.420 nan 0.000 0.216 94 P C 0.255 177.246 177.300 -0.515 0.000 1.154 94 P CA 1.669 63.975 63.100 -1.323 0.000 0.865 94 P CB -0.017 30.443 31.700 -2.066 0.000 0.789 95 Y N -2.090 118.149 120.300 -0.102 0.000 2.476 95 Y HA 0.119 4.669 4.550 -0.000 0.000 0.283 95 Y C 1.565 177.558 175.900 0.154 0.000 1.109 95 Y CA 0.163 58.351 58.100 0.148 0.000 1.246 95 Y CB -0.451 38.054 38.460 0.075 0.000 1.068 95 Y HN 0.179 nan 8.280 nan 0.000 0.552 96 H N -1.611 117.538 119.070 0.132 0.000 3.037 96 H HA 0.332 4.888 4.556 -0.000 0.000 0.355 96 H C -1.343 173.641 175.328 -0.573 0.000 1.263 96 H CA -1.111 54.753 56.048 -0.305 0.000 1.129 96 H CB 1.410 31.130 29.762 -0.070 0.000 1.861 96 H HN 0.094 nan 8.280 nan 0.000 0.546 97 D N 0.302 120.337 120.400 -0.608 0.000 2.312 97 D HA -0.070 4.570 4.640 -0.000 0.000 0.244 97 D C 1.624 177.962 176.300 0.064 0.000 1.328 97 D CA 0.485 54.343 54.000 -0.236 0.000 0.965 97 D CB 0.243 40.995 40.800 -0.080 0.000 1.140 97 D HN 0.692 nan 8.370 nan 0.000 0.523 98 T N -2.892 111.719 114.554 0.095 0.000 2.915 98 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 98 T C 0.646 175.379 174.700 0.055 0.000 1.071 98 T CA 0.973 63.126 62.100 0.089 0.000 1.132 98 T CB -0.996 67.920 68.868 0.081 0.000 0.878 98 T HN 0.574 nan 8.240 nan 0.000 0.479 99 N N 1.648 120.394 118.700 0.077 0.000 2.597 99 N HA 0.448 5.188 4.740 -0.000 0.000 0.269 99 N C -0.136 175.272 175.510 -0.170 0.000 1.204 99 N CA -0.408 52.664 53.050 0.038 0.000 0.947 99 N CB -0.205 38.385 38.487 0.172 0.000 1.258 99 N HN 0.183 nan 8.380 nan 0.000 0.508 100 L N -1.701 119.376 121.223 -0.243 0.000 4.137 100 L HA -0.260 4.079 4.340 -0.000 0.000 0.421 100 L C -0.887 175.605 176.870 -0.629 0.000 1.162 100 L CA 1.079 55.579 54.840 -0.567 0.000 0.978 100 L CB -2.176 39.529 42.059 -0.591 0.000 1.957 100 L HN 0.304 nan 8.230 nan 0.000 0.978 101 F N 0.246 120.141 119.950 -0.092 0.000 2.408 101 F HA 0.656 5.182 4.527 -0.000 0.000 0.344 101 F C 1.204 177.000 175.800 -0.006 0.000 1.112 101 F CA -0.602 57.378 58.000 -0.034 0.000 1.096 101 F CB 0.836 39.827 39.000 -0.014 0.000 1.129 101 F HN 0.049 nan 8.300 nan 0.000 0.486 102 A N 3.595 126.572 122.820 0.261 0.000 2.587 102 A HA 0.025 4.345 4.320 -0.000 0.000 0.235 102 A C -0.730 177.004 177.584 0.249 0.000 1.044 102 A CA -0.035 52.169 52.037 0.280 0.000 0.754 102 A CB -0.545 18.632 19.000 0.296 0.000 0.968 102 A HN 0.658 nan 8.150 nan 0.000 0.509 103 Y N 1.170 121.677 120.300 0.345 0.000 2.511 103 Y HA 0.087 4.636 4.550 -0.000 0.000 0.332 103 Y C 2.235 178.289 175.900 0.257 0.000 1.177 103 Y CA 0.964 59.224 58.100 0.266 0.000 1.422 103 Y CB 0.579 39.172 38.460 0.221 0.000 1.271 103 Y HN 0.886 nan 8.280 nan 0.000 0.550 104 T N -2.873 111.898 114.554 0.362 0.000 3.007 104 T HA -0.176 4.174 4.350 -0.000 0.000 0.270 104 T C 0.774 175.633 174.700 0.264 0.000 1.107 104 T CA 1.299 63.571 62.100 0.287 0.000 1.118 104 T CB -0.211 68.794 68.868 0.229 0.000 0.889 104 T HN 0.738 nan 8.240 nan 0.000 0.506 105 D N 0.129 120.675 120.400 0.243 0.000 2.368 105 D HA 0.106 4.746 4.640 -0.000 0.000 0.218 105 D C 1.261 177.641 176.300 0.134 0.000 1.112 105 D CA -0.317 53.768 54.000 0.141 0.000 0.834 105 D CB -0.720 40.124 40.800 0.074 0.000 0.953 105 D HN 0.112 nan 8.370 nan 0.000 0.505 106 N N 0.787 119.671 118.700 0.306 0.000 2.144 106 N HA -0.196 4.543 4.740 -0.000 0.000 0.195 106 N C 1.776 177.395 175.510 0.181 0.000 1.006 106 N CA 1.041 54.352 53.050 0.435 0.000 0.880 106 N CB -0.393 38.590 38.487 0.828 0.000 1.018 106 N HN 0.263 nan 8.380 nan 0.000 0.443 107 V N 0.030 119.799 119.914 -0.242 0.000 2.427 107 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 107 V C 1.912 177.923 176.094 -0.138 0.000 1.051 107 V CA 1.170 62.984 62.300 -0.810 0.000 1.048 107 V CB -0.206 30.898 31.823 -1.198 0.000 0.666 107 V HN 0.100 nan 8.190 nan 0.000 0.456 108 L N 0.182 121.379 121.223 -0.043 0.000 2.072 108 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 108 L C 2.643 179.564 176.870 0.085 0.000 1.079 108 L CA 1.834 56.739 54.840 0.110 0.000 0.752 108 L CB -1.312 40.778 42.059 0.053 0.000 0.906 108 L HN 0.301 nan 8.230 nan 0.000 0.436 109 R N -1.308 119.158 120.500 -0.057 0.000 2.103 109 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 109 R C 2.208 178.420 176.300 -0.146 0.000 1.142 109 R CA 1.883 57.853 56.100 -0.217 0.000 0.960 109 R CB -0.497 29.594 30.300 -0.349 0.000 0.858 109 R HN 0.270 nan 8.270 nan 0.000 0.439 110 F N -0.392 119.813 119.950 0.426 0.000 2.446 110 F HA 0.175 4.702 4.527 -0.000 0.000 0.292 110 F C 2.519 178.723 175.800 0.673 0.000 1.096 110 F CA 0.320 58.656 58.000 0.560 0.000 1.438 110 F CB -0.257 39.123 39.000 0.632 0.000 1.107 110 F HN 0.010 nan 8.300 nan 0.000 0.546 111 A N 0.524 123.839 122.820 0.826 0.000 1.908 111 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 111 A C 2.097 180.106 177.584 0.708 0.000 1.181 111 A CA 1.775 54.238 52.037 0.710 0.000 0.627 111 A CB -1.031 18.323 19.000 0.591 0.000 0.818 111 A HN 0.365 nan 8.150 nan 0.000 0.445 112 L N -0.434 121.076 121.223 0.479 0.000 2.046 112 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 112 L C 2.248 179.310 176.870 0.321 0.000 1.077 112 L CA 1.805 56.769 54.840 0.208 0.000 0.747 112 L CB -0.483 41.548 42.059 -0.046 0.000 0.896 112 L HN 0.465 nan 8.230 nan 0.000 0.432 113 L N -0.811 120.625 121.223 0.356 0.000 1.989 113 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 113 L C 2.349 179.421 176.870 0.336 0.000 1.071 113 L CA 1.997 57.023 54.840 0.311 0.000 0.749 113 L CB -1.215 41.068 42.059 0.373 0.000 0.890 113 L HN 0.485 nan 8.230 nan 0.000 0.431 114 G N -0.790 108.276 108.800 0.444 0.000 2.476 114 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.218 114 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.218 114 G C 1.257 176.385 174.900 0.380 0.000 1.164 114 G CA 0.882 46.249 45.100 0.445 0.000 0.768 114 G HN 0.671 nan 8.290 nan 0.000 0.560 115 W N 0.892 122.232 121.300 0.066 0.000 2.355 115 W HA -0.096 4.564 4.660 -0.000 0.000 0.309 115 W C 2.510 178.923 176.519 -0.176 0.000 1.206 115 W CA 1.908 59.006 57.345 -0.413 0.000 1.284 115 W CB -0.297 28.836 29.460 -0.545 0.000 1.145 115 W HN 0.038 nan 8.180 nan 0.000 0.502 116 V N 1.308 121.312 119.914 0.150 0.000 2.343 116 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 116 V C 2.509 178.501 176.094 -0.171 0.000 1.051 116 V CA 2.044 64.312 62.300 -0.054 0.000 1.036 116 V CB -1.751 30.146 31.823 0.123 0.000 0.654 116 V HN 0.442 nan 8.190 nan 0.000 0.451 117 G N -0.148 108.636 108.800 -0.026 0.000 2.476 117 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 117 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 117 G C 1.737 176.586 174.900 -0.085 0.000 1.164 117 G CA 1.236 46.332 45.100 -0.007 0.000 0.768 117 G HN 0.628 nan 8.290 nan 0.000 0.560 118 A N 0.219 122.963 122.820 -0.127 0.000 1.929 118 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 118 A C 2.195 179.578 177.584 -0.334 0.000 1.176 118 A CA 1.693 53.629 52.037 -0.167 0.000 0.628 118 A CB -0.264 18.695 19.000 -0.068 0.000 0.816 118 A HN 0.270 nan 8.150 nan 0.000 0.444 119 E N -0.308 119.533 120.200 -0.599 0.000 2.209 119 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 119 E C 1.850 178.234 176.600 -0.360 0.000 0.993 119 E CA 0.822 56.854 56.400 -0.614 0.000 0.819 119 E CB -0.291 28.846 29.700 -0.939 0.000 0.745 119 E HN 0.539 nan 8.360 nan 0.000 0.477 120 M N -0.387 119.040 119.600 -0.290 0.000 2.296 120 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 120 M C 2.136 178.325 176.300 -0.185 0.000 1.064 120 M CA 0.772 55.941 55.300 -0.219 0.000 1.109 120 M CB -0.722 31.766 32.600 -0.187 0.000 1.396 120 M HN -0.020 nan 8.290 nan 0.000 0.430 121 A N -1.067 121.645 122.820 -0.181 0.000 2.172 121 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 121 A C 2.097 179.584 177.584 -0.162 0.000 1.154 121 A CA 1.284 53.222 52.037 -0.166 0.000 0.701 121 A CB -0.305 18.615 19.000 -0.133 0.000 0.789 121 A HN 0.413 nan 8.150 nan 0.000 0.465 122 S N -2.176 113.421 115.700 -0.172 0.000 2.650 122 S HA 0.429 4.899 4.470 -0.000 0.000 0.240 122 S C 0.994 175.509 174.600 -0.142 0.000 1.007 122 S CA 0.541 58.652 58.200 -0.148 0.000 0.984 122 S CB 0.529 63.640 63.200 -0.150 0.000 0.910 122 S HN 1.511 nan 8.310 nan 0.000 0.509 123 G N 1.318 110.027 108.800 -0.151 0.000 2.148 123 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.203 123 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.203 123 G C 0.659 175.486 174.900 -0.121 0.000 0.993 123 G CA 0.178 45.199 45.100 -0.132 0.000 0.661 123 G HN 0.433 nan 8.290 nan 0.000 0.518 124 L N 0.011 121.149 121.223 -0.142 0.000 2.089 124 L HA -0.052 4.287 4.340 -0.000 0.000 0.213 124 L C 0.927 177.750 176.870 -0.079 0.000 1.079 124 L CA 2.205 56.972 54.840 -0.121 0.000 0.758 124 L CB -0.009 41.946 42.059 -0.173 0.000 0.891 124 L HN 0.371 nan 8.230 nan 0.000 0.433 125 D N -1.143 119.215 120.400 -0.070 0.000 2.373 125 D HA 0.164 4.803 4.640 -0.000 0.000 0.227 125 D C -1.778 174.511 176.300 -0.017 0.000 1.091 125 D CA -2.289 51.726 54.000 0.024 0.000 0.840 125 D CB 1.645 42.519 40.800 0.122 0.000 1.060 125 D HN -0.034 nan 8.370 nan 0.000 0.502 126 P HA -0.008 nan 4.420 nan 0.000 0.222 126 P C 0.636 177.675 177.300 -0.434 0.000 1.147 126 P CA 0.791 63.690 63.100 -0.336 0.000 0.790 126 P CB 0.048 31.427 31.700 -0.536 0.000 0.780 127 F N -4.149 115.825 119.950 0.040 0.000 2.721 127 F HA 0.306 4.833 4.527 -0.000 0.000 0.301 127 F C 0.594 176.482 175.800 0.147 0.000 1.096 127 F CA -0.251 57.788 58.000 0.066 0.000 1.308 127 F CB 0.076 39.108 39.000 0.054 0.000 1.086 127 F HN -0.114 nan 8.300 nan 0.000 0.587 128 W N 0.995 122.331 121.300 0.061 0.000 3.624 128 W HA 0.495 5.155 4.660 0.000 0.000 0.312 128 W C -1.366 175.139 176.519 -0.022 0.000 1.203 128 W CA -1.348 56.012 57.345 0.025 0.000 1.225 128 W CB 1.013 30.485 29.460 0.020 0.000 1.321 128 W HN -0.319 nan 8.180 nan 0.000 0.506 129 R N 7.094 127.198 120.500 -0.660 0.000 2.515 129 R HA 0.524 4.863 4.340 -0.000 0.000 0.291 129 R C -2.790 172.975 176.300 -0.892 0.000 1.046 129 R CA -1.592 54.183 56.100 -0.543 0.000 0.914 129 R CB 2.559 32.668 30.300 -0.318 0.000 1.191 129 R HN 0.185 nan 8.270 nan 0.000 0.435 130 P HA 0.165 nan 4.420 nan 0.000 0.276 130 P C -0.716 176.351 177.300 -0.389 0.000 1.244 130 P CA -0.256 62.460 63.100 -0.641 0.000 0.801 130 P CB 1.300 32.839 31.700 -0.269 0.000 1.006 131 D N -0.323 119.876 120.400 -0.335 0.000 2.271 131 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 131 D C 0.296 176.463 176.300 -0.223 0.000 0.967 131 D CA 1.026 54.875 54.000 -0.252 0.000 0.867 131 D CB 0.466 41.120 40.800 -0.243 0.000 0.960 131 D HN 0.103 nan 8.370 nan 0.000 0.509 132 V N 1.391 121.146 119.914 -0.265 0.000 2.709 132 V HA 0.273 4.393 4.120 -0.000 0.000 0.308 132 V C -0.159 175.822 176.094 -0.188 0.000 1.062 132 V CA -0.856 61.295 62.300 -0.248 0.000 0.901 132 V CB 2.964 34.529 31.823 -0.429 0.000 1.003 132 V HN -0.272 nan 8.190 nan 0.000 0.425 133 V N 3.684 123.544 119.914 -0.089 0.000 2.370 133 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 133 V C -0.378 175.749 176.094 0.054 0.000 1.029 133 V CA -0.408 61.887 62.300 -0.007 0.000 0.870 133 V CB 1.191 33.029 31.823 0.025 0.000 0.984 133 V HN 0.937 nan 8.190 nan 0.000 0.451 134 H N 4.043 123.077 119.070 -0.060 0.000 2.595 134 H HA 0.725 5.281 4.556 -0.000 0.000 0.313 134 H C -0.088 175.258 175.328 0.030 0.000 1.023 134 H CA -0.454 55.573 56.048 -0.034 0.000 1.218 134 H CB 1.122 30.792 29.762 -0.153 0.000 1.403 134 H HN 0.806 nan 8.280 nan 0.000 0.477 135 A N 5.244 128.240 122.820 0.294 0.000 2.324 135 A HA 0.376 4.695 4.320 -0.000 0.000 0.330 135 A C -1.034 176.543 177.584 -0.011 0.000 1.165 135 A CA -0.673 51.535 52.037 0.286 0.000 0.813 135 A CB 0.808 20.088 19.000 0.466 0.000 1.197 135 A HN 0.861 nan 8.150 nan 0.000 0.484 136 H N 1.652 120.865 119.070 0.238 0.000 2.646 136 H HA 0.345 4.901 4.556 -0.000 0.000 0.328 136 H C -0.859 174.512 175.328 0.072 0.000 0.998 136 H CA -0.019 56.096 56.048 0.113 0.000 1.225 136 H CB 1.239 31.051 29.762 0.083 0.000 1.457 136 H HN 0.921 nan 8.280 nan 0.000 0.505 137 D N 0.798 121.213 120.400 0.026 0.000 9.143 137 D HA -0.246 4.394 4.640 -0.000 0.000 0.348 137 D C 1.402 177.898 176.300 0.326 0.000 2.867 137 D CA 1.119 55.201 54.000 0.137 0.000 2.085 137 D CB -0.203 40.620 40.800 0.038 0.000 1.165 137 D HN 0.809 nan 8.370 nan 0.000 1.153 138 W N 0.817 122.187 121.300 0.116 0.000 2.350 138 W HA -0.211 4.448 4.660 -0.000 0.000 0.289 138 W C 1.645 178.266 176.519 0.169 0.000 1.215 138 W CA 1.537 58.978 57.345 0.159 0.000 1.236 138 W CB -1.124 28.358 29.460 0.036 0.000 1.130 138 W HN 0.537 nan 8.180 nan 0.000 0.541 139 H N 1.802 120.552 119.070 -0.534 0.000 2.422 139 H HA 0.025 4.581 4.556 -0.000 0.000 0.298 139 H C 2.315 177.789 175.328 0.243 0.000 1.098 139 H CA 2.261 57.959 56.048 -0.584 0.000 1.315 139 H CB -0.558 28.721 29.762 -0.804 0.000 1.382 139 H HN 0.241 nan 8.280 nan 0.000 0.523 140 A N 0.594 123.663 122.820 0.415 0.000 2.465 140 A HA 0.341 4.661 4.320 -0.000 0.000 0.255 140 A C 2.284 180.150 177.584 0.469 0.000 1.274 140 A CA 0.375 52.687 52.037 0.458 0.000 0.920 140 A CB -0.332 18.918 19.000 0.417 0.000 1.033 140 A HN 0.456 nan 8.150 nan 0.000 0.516 141 G N 0.058 109.157 108.800 0.499 0.000 2.470 141 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.220 141 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.220 141 G C 1.238 176.170 174.900 0.054 0.000 1.121 141 G CA 0.773 46.039 45.100 0.277 0.000 0.766 141 G HN 0.460 nan 8.290 nan 0.000 0.553 142 L N 0.497 121.725 121.223 0.008 0.000 2.552 142 L HA 0.105 4.445 4.340 -0.000 0.000 0.227 142 L C 3.157 180.056 176.870 0.049 0.000 1.146 142 L CA 0.346 55.097 54.840 -0.148 0.000 0.858 142 L CB -0.196 41.685 42.059 -0.297 0.000 0.969 142 L HN 0.306 nan 8.230 nan 0.000 0.451 143 A N 1.257 124.204 122.820 0.211 0.000 1.877 143 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 143 A C -0.115 177.565 177.584 0.159 0.000 1.186 143 A CA 1.398 53.587 52.037 0.254 0.000 0.620 143 A CB -1.593 17.553 19.000 0.243 0.000 0.822 143 A HN 0.267 nan 8.150 nan 0.000 0.443 144 P HA -0.093 nan 4.420 nan 0.000 0.217 144 P C 1.671 178.991 177.300 0.033 0.000 1.150 144 P CA 1.803 64.964 63.100 0.101 0.000 0.832 144 P CB -0.085 31.686 31.700 0.117 0.000 0.787 145 A N -1.322 121.443 122.820 -0.091 0.000 1.873 145 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 145 A C 2.080 179.528 177.584 -0.227 0.000 1.186 145 A CA 1.390 53.165 52.037 -0.437 0.000 0.616 145 A CB -1.930 16.758 19.000 -0.520 0.000 0.823 145 A HN 0.150 nan 8.150 nan 0.000 0.442 146 Y N -0.890 119.399 120.300 -0.019 0.000 2.207 146 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 146 Y C 2.296 178.185 175.900 -0.018 0.000 1.156 146 Y CA 0.909 59.009 58.100 0.001 0.000 1.182 146 Y CB -0.245 38.229 38.460 0.023 0.000 0.979 146 Y HN 0.227 nan 8.280 nan 0.000 0.521 147 L N -0.241 121.056 121.223 0.123 0.000 2.017 147 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 147 L C 2.536 179.447 176.870 0.068 0.000 1.073 147 L CA 1.879 56.758 54.840 0.065 0.000 0.745 147 L CB -1.529 40.560 42.059 0.050 0.000 0.894 147 L HN 0.211 nan 8.230 nan 0.000 0.432 148 A N -0.742 122.118 122.820 0.065 0.000 1.883 148 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 148 A C 2.432 180.130 177.584 0.189 0.000 1.186 148 A CA 1.867 53.968 52.037 0.108 0.000 0.624 148 A CB -1.010 18.033 19.000 0.071 0.000 0.822 148 A HN 0.423 nan 8.150 nan 0.000 0.444 149 A N -1.104 121.851 122.820 0.225 0.000 2.084 149 A HA -0.170 4.149 4.320 -0.000 0.000 0.221 149 A C 2.117 179.752 177.584 0.084 0.000 1.161 149 A CA 1.563 53.675 52.037 0.126 0.000 0.653 149 A CB -0.377 18.585 19.000 -0.064 0.000 0.802 149 A HN 0.460 nan 8.150 nan 0.000 0.457 150 R N -1.721 118.826 120.500 0.078 0.000 2.432 150 R HA 0.220 4.560 4.340 -0.000 0.000 0.260 150 R C 0.912 177.236 176.300 0.040 0.000 0.935 150 R CA 0.581 56.709 56.100 0.046 0.000 1.080 150 R CB 0.030 30.341 30.300 0.019 0.000 1.155 150 R HN 0.703 nan 8.270 nan 0.000 0.531 151 G N 2.237 111.073 108.800 0.061 0.000 2.182 151 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 151 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 151 G C -0.064 174.855 174.900 0.031 0.000 1.042 151 G CA 0.164 45.294 45.100 0.050 0.000 0.775 151 G HN 0.428 nan 8.290 nan 0.000 0.501 152 R N -2.538 117.982 120.500 0.032 0.000 3.205 152 R HA -0.190 4.149 4.340 -0.000 0.000 0.249 152 R C -0.933 175.362 176.300 -0.008 0.000 0.937 152 R CA 0.724 56.835 56.100 0.018 0.000 0.641 152 R CB -1.513 28.802 30.300 0.026 0.000 1.114 152 R HN 0.503 nan 8.270 nan 0.000 0.451 153 P HA -0.049 nan 4.420 nan 0.000 0.231 153 P C -0.008 177.253 177.300 -0.066 0.000 1.158 153 P CA 1.458 64.529 63.100 -0.048 0.000 0.763 153 P CB 0.463 32.125 31.700 -0.064 0.000 0.805 154 A N -1.254 121.531 122.820 -0.058 0.000 2.606 154 A HA 0.601 4.920 4.320 -0.000 0.000 0.293 154 A C -0.900 176.656 177.584 -0.046 0.000 1.082 154 A CA -0.710 51.283 52.037 -0.073 0.000 0.685 154 A CB 1.323 20.262 19.000 -0.101 0.000 1.284 154 A HN -0.265 nan 8.150 nan 0.000 0.408 155 K N 0.805 121.174 120.400 -0.053 0.000 2.154 155 K HA 0.614 4.934 4.320 -0.000 0.000 0.264 155 K C 0.249 176.839 176.600 -0.015 0.000 1.008 155 K CA 0.365 56.639 56.287 -0.022 0.000 0.937 155 K CB 1.023 33.510 32.500 -0.022 0.000 1.002 155 K HN 0.884 nan 8.250 nan 0.000 0.469 156 S N -0.181 115.533 115.700 0.023 0.000 2.542 156 S HA 0.724 5.194 4.470 -0.000 0.000 0.293 156 S C -0.973 173.665 174.600 0.064 0.000 1.089 156 S CA -0.891 57.334 58.200 0.041 0.000 0.961 156 S CB 1.583 64.827 63.200 0.074 0.000 1.062 156 S HN 0.389 nan 8.310 nan 0.000 0.483 157 V N 2.852 122.783 119.914 0.029 0.000 2.709 157 V HA 0.839 4.959 4.120 -0.000 0.000 0.308 157 V C -1.724 174.405 176.094 0.058 0.000 1.062 157 V CA -1.039 61.264 62.300 0.007 0.000 0.901 157 V CB 1.552 33.295 31.823 -0.134 0.000 1.003 157 V HN 1.005 nan 8.190 nan 0.000 0.425 158 F N 5.486 125.438 119.950 0.003 0.000 2.467 158 F HA 0.780 5.307 4.527 -0.000 0.000 0.336 158 F C 0.023 175.885 175.800 0.103 0.000 1.123 158 F CA 0.118 58.160 58.000 0.069 0.000 0.964 158 F CB 1.945 41.000 39.000 0.093 0.000 1.136 158 F HN 0.830 nan 8.300 nan 0.000 0.447 159 T N 4.892 119.149 114.554 -0.496 0.000 2.829 159 T HA 0.560 4.910 4.350 -0.000 0.000 0.280 159 T C -1.244 173.192 174.700 -0.441 0.000 0.999 159 T CA -0.727 61.208 62.100 -0.274 0.000 0.983 159 T CB 1.381 70.296 68.868 0.079 0.000 0.968 159 T HN 0.743 nan 8.240 nan 0.000 0.446 160 V N 5.104 124.908 119.914 -0.183 0.000 2.350 160 V HA 0.443 4.563 4.120 -0.000 0.000 0.276 160 V C 0.562 176.718 176.094 0.103 0.000 1.028 160 V CA -0.188 62.116 62.300 0.007 0.000 0.860 160 V CB 0.364 32.298 31.823 0.186 0.000 0.990 160 V HN 1.070 nan 8.190 nan 0.000 0.453 161 H N 5.086 124.239 119.070 0.139 0.000 2.562 161 H HA 0.285 4.841 4.556 -0.000 0.000 0.267 161 H C 0.319 175.762 175.328 0.192 0.000 0.959 161 H CA 0.496 56.636 56.048 0.154 0.000 1.204 161 H CB 0.710 30.543 29.762 0.119 0.000 1.430 161 H HN 0.738 nan 8.280 nan 0.000 0.545 162 N N 0.302 119.257 118.700 0.426 0.000 2.999 162 N HA -0.051 4.689 4.740 -0.000 0.000 0.244 162 N C -0.464 175.390 175.510 0.573 0.000 1.106 162 N CA -0.217 53.133 53.050 0.501 0.000 1.018 162 N CB 0.857 39.621 38.487 0.462 0.000 1.600 162 N HN -0.005 nan 8.380 nan 0.000 0.621 163 L N 3.112 124.708 121.223 0.622 0.000 2.554 163 L HA 0.363 4.703 4.340 -0.000 0.000 0.226 163 L C 2.029 179.161 176.870 0.438 0.000 1.137 163 L CA 1.201 56.317 54.840 0.460 0.000 0.863 163 L CB -0.033 42.219 42.059 0.322 0.000 0.985 163 L HN 0.755 nan 8.230 nan 0.000 0.451 164 A N -1.705 121.382 122.820 0.445 0.000 2.119 164 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 164 A C 0.099 177.534 177.584 -0.249 0.000 1.152 164 A CA 0.448 52.497 52.037 0.020 0.000 0.708 164 A CB -0.456 18.543 19.000 -0.003 0.000 0.805 164 A HN 0.339 nan 8.150 nan 0.000 0.460 165 Y N -0.040 120.345 120.300 0.140 0.000 2.369 165 Y HA 0.385 4.934 4.550 -0.000 0.000 0.337 165 Y C 1.025 176.888 175.900 -0.061 0.000 0.961 165 Y CA -0.432 57.694 58.100 0.044 0.000 1.186 165 Y CB 1.393 39.989 38.460 0.226 0.000 1.139 165 Y HN 0.230 nan 8.280 nan 0.000 0.494 166 Q N 2.393 122.053 119.800 -0.233 0.000 2.317 166 Q HA 0.202 4.542 4.340 -0.000 0.000 0.220 166 Q C 1.058 176.783 176.000 -0.457 0.000 0.873 166 Q CA 0.239 55.894 55.803 -0.247 0.000 0.936 166 Q CB 0.997 29.610 28.738 -0.209 0.000 1.105 166 Q HN 1.048 nan 8.270 nan 0.000 0.520 167 G N 2.450 110.550 108.800 -1.167 0.000 2.367 167 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.295 167 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.295 167 G C -0.117 174.240 174.900 -0.905 0.000 1.019 167 G CA -0.007 44.145 45.100 -1.581 0.000 1.224 167 G HN 0.073 nan 8.290 nan 0.000 0.510 168 M N -0.010 119.005 119.600 -0.976 0.000 2.162 168 M HA 0.621 5.101 4.480 -0.000 0.000 0.356 168 M C 0.047 175.718 176.300 -1.048 0.000 1.303 168 M CA 0.029 54.942 55.300 -0.646 0.000 1.116 168 M CB 0.102 32.450 32.600 -0.420 0.000 1.632 168 M HN 0.199 nan 8.290 nan 0.000 0.469 169 F N 1.049 120.928 119.950 -0.119 0.000 2.599 169 F HA 0.463 4.990 4.527 -0.000 0.000 0.311 169 F C -0.198 175.624 175.800 0.037 0.000 1.076 169 F CA -1.025 56.915 58.000 -0.100 0.000 0.937 169 F CB 1.064 40.029 39.000 -0.058 0.000 1.282 169 F HN 0.378 nan 8.300 nan 0.000 0.460 170 Y N 0.755 121.234 120.300 0.298 0.000 2.805 170 Y HA 0.096 4.646 4.550 -0.000 0.000 0.337 170 Y C 1.433 177.316 175.900 -0.028 0.000 1.252 170 Y CA -0.015 58.130 58.100 0.074 0.000 1.515 170 Y CB 0.716 39.115 38.460 -0.103 0.000 1.305 170 Y HN 0.815 nan 8.280 nan 0.000 0.600 171 A N 2.654 125.604 122.820 0.216 0.000 1.972 171 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 171 A C 1.799 179.295 177.584 -0.147 0.000 1.169 171 A CA 1.978 54.010 52.037 -0.008 0.000 0.635 171 A CB -1.191 17.742 19.000 -0.111 0.000 0.810 171 A HN 1.054 nan 8.150 nan 0.000 0.446 172 H N -2.205 116.841 119.070 -0.039 0.000 2.426 172 H HA -0.193 4.362 4.556 -0.000 0.000 0.298 172 H C 1.673 176.934 175.328 -0.112 0.000 1.107 172 H CA 1.634 57.634 56.048 -0.079 0.000 1.298 172 H CB -0.703 28.989 29.762 -0.115 0.000 1.377 172 H HN 0.594 nan 8.280 nan 0.000 0.519 173 H N 0.141 119.071 119.070 -0.233 0.000 2.543 173 H HA -0.044 4.512 4.556 -0.000 0.000 0.286 173 H C 1.647 176.853 175.328 -0.202 0.000 1.037 173 H CA 0.995 56.955 56.048 -0.146 0.000 1.250 173 H CB 0.037 29.730 29.762 -0.116 0.000 1.373 173 H HN 0.413 nan 8.280 nan 0.000 0.580 174 M N 0.279 119.723 119.600 -0.261 0.000 2.426 174 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 174 M C 1.827 177.714 176.300 -0.688 0.000 1.068 174 M CA 0.748 55.680 55.300 -0.614 0.000 1.066 174 M CB -0.760 31.108 32.600 -1.220 0.000 1.399 174 M HN 0.385 nan 8.290 nan 0.000 0.449 175 N N -0.035 118.460 118.700 -0.342 0.000 2.395 175 N HA -0.098 4.642 4.740 -0.000 0.000 0.175 175 N C 0.311 175.793 175.510 -0.047 0.000 1.029 175 N CA 0.769 53.770 53.050 -0.081 0.000 0.897 175 N CB 0.378 38.953 38.487 0.146 0.000 0.991 175 N HN 0.260 nan 8.380 nan 0.000 0.441 176 D N 0.411 120.782 120.400 -0.048 0.000 2.367 176 D HA 0.057 4.697 4.640 -0.000 0.000 0.207 176 D C 1.494 177.620 176.300 -0.289 0.000 1.034 176 D CA 0.226 54.202 54.000 -0.039 0.000 0.861 176 D CB 0.398 41.264 40.800 0.109 0.000 0.943 176 D HN 0.543 nan 8.370 nan 0.000 0.515 177 I N -2.437 117.868 120.570 -0.443 0.000 4.025 177 I HA 0.242 4.412 4.170 -0.000 0.000 0.336 177 I C -0.169 175.470 176.117 -0.795 0.000 1.390 177 I CA -0.169 60.608 61.300 -0.871 0.000 1.099 177 I CB 0.086 37.828 38.000 -0.430 0.000 1.049 177 I HN -0.274 nan 8.210 nan 0.000 0.394 178 Q N 1.492 121.025 119.800 -0.445 0.000 2.453 178 Q HA -0.127 4.213 4.340 -0.000 0.000 0.294 178 Q C -0.867 175.099 176.000 -0.056 0.000 1.295 178 Q CA 0.546 56.257 55.803 -0.155 0.000 0.853 178 Q CB -1.247 27.503 28.738 0.019 0.000 1.193 178 Q HN 0.638 nan 8.270 nan 0.000 0.461 179 L N 0.399 121.486 121.223 -0.226 0.000 2.334 179 L HA 0.546 4.886 4.340 -0.000 0.000 0.273 179 L C -1.814 174.816 176.870 -0.399 0.000 1.013 179 L CA -2.304 52.330 54.840 -0.344 0.000 0.816 179 L CB 0.978 42.775 42.059 -0.437 0.000 1.278 179 L HN -0.093 nan 8.230 nan 0.000 0.431 180 P HA -0.156 nan 4.420 nan 0.000 0.257 180 P C 0.019 177.216 177.300 -0.170 0.000 1.153 180 P CA 0.499 63.378 63.100 -0.368 0.000 0.762 180 P CB 0.184 31.454 31.700 -0.717 0.000 0.743 181 W N 2.510 123.778 121.300 -0.054 0.000 2.387 181 W HA -0.175 4.485 4.660 -0.000 0.000 0.272 181 W C 2.433 179.049 176.519 0.162 0.000 1.224 181 W CA 1.745 59.122 57.345 0.053 0.000 1.210 181 W CB -0.705 28.774 29.460 0.031 0.000 1.125 181 W HN 0.396 nan 8.180 nan 0.000 0.572 182 S N -1.281 114.643 115.700 0.375 0.000 2.515 182 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 182 S C 1.510 176.416 174.600 0.510 0.000 0.987 182 S CA 0.589 59.027 58.200 0.397 0.000 0.936 182 S CB -0.720 62.673 63.200 0.322 0.000 0.766 182 S HN 0.113 nan 8.310 nan 0.000 0.528 183 F N 0.983 121.044 119.950 0.186 0.000 2.710 183 F HA 0.401 4.928 4.527 -0.000 0.000 0.298 183 F C 0.633 176.528 175.800 0.160 0.000 1.137 183 F CA -1.454 56.648 58.000 0.170 0.000 1.444 183 F CB -0.607 38.432 39.000 0.066 0.000 1.111 183 F HN 0.299 nan 8.300 nan 0.000 0.580 184 F N 2.495 122.598 119.950 0.256 0.000 2.566 184 F HA 0.259 4.786 4.527 -0.000 0.000 0.349 184 F C 0.102 175.986 175.800 0.140 0.000 1.245 184 F CA -0.055 58.043 58.000 0.164 0.000 1.169 184 F CB -0.496 38.595 39.000 0.151 0.000 1.470 184 F HN -0.131 nan 8.300 nan 0.000 0.634 185 N N 4.512 123.060 118.700 -0.253 0.000 2.598 185 N HA 0.177 4.917 4.740 -0.000 0.000 0.263 185 N C 0.684 176.025 175.510 -0.280 0.000 1.254 185 N CA -0.500 52.452 53.050 -0.162 0.000 0.863 185 N CB 1.394 39.880 38.487 -0.001 0.000 1.586 185 N HN 0.459 nan 8.380 nan 0.000 0.491 186 I N 0.802 121.257 120.570 -0.191 0.000 2.530 186 I HA -0.172 3.998 4.170 -0.000 0.000 0.257 186 I C 0.434 176.287 176.117 -0.440 0.000 1.179 186 I CA 0.945 62.097 61.300 -0.247 0.000 1.440 186 I CB -0.169 37.742 38.000 -0.148 0.000 1.087 186 I HN 0.300 nan 8.210 nan 0.000 0.440 187 H N 1.099 119.955 119.070 -0.357 0.000 2.652 187 H HA 0.409 4.965 4.556 -0.000 0.000 0.233 187 H C 0.540 175.176 175.328 -1.152 0.000 1.762 187 H CA 0.486 56.204 56.048 -0.550 0.000 1.285 187 H CB -0.013 29.668 29.762 -0.135 0.000 1.668 187 H HN 0.383 nan 8.280 nan 0.000 0.550 188 G N 0.911 108.690 108.800 -1.703 0.000 2.403 188 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.223 188 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.223 188 G C -0.209 174.266 174.900 -0.708 0.000 1.287 188 G CA -0.481 43.802 45.100 -1.361 0.000 0.982 188 G HN 0.271 nan 8.290 nan 0.000 0.471 189 L N -0.287 120.804 121.223 -0.220 0.000 2.629 189 L HA 0.563 4.903 4.340 -0.000 0.000 0.230 189 L C 0.608 177.409 176.870 -0.115 0.000 1.151 189 L CA 0.030 54.831 54.840 -0.064 0.000 0.924 189 L CB 0.051 42.199 42.059 0.149 0.000 1.137 189 L HN 0.484 nan 8.230 nan 0.000 0.457 190 E N 0.880 120.886 120.200 -0.324 0.000 2.301 190 E HA 0.330 4.680 4.350 -0.000 0.000 0.275 190 E C -1.660 174.872 176.600 -0.114 0.000 1.030 190 E CA -0.601 55.511 56.400 -0.479 0.000 0.852 190 E CB 1.097 30.223 29.700 -0.957 0.000 1.060 190 E HN 0.171 nan 8.360 nan 0.000 0.401 191 F N 5.301 125.138 119.950 -0.189 0.000 2.689 191 F HA 0.192 4.719 4.527 -0.000 0.000 0.332 191 F C -0.002 175.766 175.800 -0.054 0.000 1.209 191 F CA -0.807 57.127 58.000 -0.110 0.000 1.028 191 F CB 0.686 39.645 39.000 -0.068 0.000 1.291 191 F HN 0.752 nan 8.300 nan 0.000 0.500 192 N N 4.452 122.786 118.700 -0.611 0.000 2.714 192 N HA -0.234 4.506 4.740 -0.000 0.000 0.252 192 N C 0.927 176.338 175.510 -0.164 0.000 1.014 192 N CA 1.247 53.998 53.050 -0.497 0.000 0.735 192 N CB -0.860 37.144 38.487 -0.806 0.000 0.924 192 N HN 1.731 nan 8.380 nan 0.000 0.540 193 G N -0.981 107.792 108.800 -0.044 0.000 2.267 193 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 193 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 193 G C 0.067 175.143 174.900 0.294 0.000 0.998 193 G CA 0.995 46.177 45.100 0.135 0.000 0.620 193 G HN 0.655 nan 8.290 nan 0.000 0.529 194 Q N -0.629 119.309 119.800 0.230 0.000 2.286 194 Q HA 0.736 5.076 4.340 -0.000 0.000 0.250 194 Q C 0.273 176.524 176.000 0.419 0.000 1.021 194 Q CA -1.079 54.922 55.803 0.331 0.000 0.930 194 Q CB 1.479 30.330 28.738 0.187 0.000 1.266 194 Q HN 0.346 nan 8.270 nan 0.000 0.491 195 I N 0.962 121.816 120.570 0.474 0.000 2.496 195 I HA 0.068 4.237 4.170 -0.000 0.000 0.285 195 I C 0.009 176.351 176.117 0.374 0.000 1.080 195 I CA 0.180 61.759 61.300 0.465 0.000 1.404 195 I CB 1.037 39.352 38.000 0.525 0.000 1.403 195 I HN 0.323 nan 8.210 nan 0.000 0.539 196 S N 5.629 121.521 115.700 0.320 0.000 2.566 196 S HA 0.356 4.826 4.470 -0.000 0.000 0.324 196 S C 0.780 175.609 174.600 0.381 0.000 1.081 196 S CA -0.585 57.774 58.200 0.266 0.000 1.105 196 S CB 0.391 63.649 63.200 0.097 0.000 0.981 196 S HN 0.431 nan 8.310 nan 0.000 0.464 197 F N 3.582 123.651 119.950 0.199 0.000 2.171 197 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 197 F C 1.975 177.888 175.800 0.188 0.000 1.090 197 F CA 0.776 58.952 58.000 0.294 0.000 1.293 197 F CB -0.468 38.888 39.000 0.593 0.000 1.013 197 F HN 0.566 nan 8.300 nan 0.000 0.486 198 L N -0.117 121.303 121.223 0.328 0.000 1.994 198 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 198 L C 2.705 179.558 176.870 -0.028 0.000 1.071 198 L CA 1.681 56.642 54.840 0.202 0.000 0.745 198 L CB -0.448 41.699 42.059 0.147 0.000 0.892 198 L HN 0.037 nan 8.230 nan 0.000 0.431 199 K N -0.027 120.329 120.400 -0.074 0.000 2.074 199 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 199 K C 1.967 178.512 176.600 -0.092 0.000 1.048 199 K CA 1.534 57.743 56.287 -0.130 0.000 0.926 199 K CB -0.220 32.200 32.500 -0.132 0.000 0.713 199 K HN 0.436 nan 8.250 nan 0.000 0.444 200 A N 0.498 123.310 122.820 -0.012 0.000 1.908 200 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 200 A C 2.416 179.962 177.584 -0.064 0.000 1.181 200 A CA 2.255 54.333 52.037 0.068 0.000 0.627 200 A CB -1.105 17.930 19.000 0.058 0.000 0.818 200 A HN 0.458 nan 8.150 nan 0.000 0.445 201 G N -0.105 108.443 108.800 -0.419 0.000 2.433 201 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 201 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 201 G C 1.546 175.996 174.900 -0.751 0.000 1.186 201 G CA 1.078 45.533 45.100 -1.075 0.000 0.779 201 G HN 0.448 nan 8.290 nan 0.000 0.543 202 L N -1.200 119.720 121.223 -0.505 0.000 2.083 202 L HA -0.056 4.283 4.340 -0.000 0.000 0.209 202 L C 2.608 179.389 176.870 -0.149 0.000 1.083 202 L CA 1.218 55.962 54.840 -0.160 0.000 0.752 202 L CB -0.442 41.579 42.059 -0.064 0.000 0.899 202 L HN 0.310 nan 8.230 nan 0.000 0.433 203 Y N -0.681 119.427 120.300 -0.321 0.000 2.269 203 Y HA -0.178 4.372 4.550 -0.000 0.000 0.294 203 Y C 2.114 177.740 175.900 -0.458 0.000 1.120 203 Y CA 1.332 59.163 58.100 -0.448 0.000 1.159 203 Y CB -0.068 37.993 38.460 -0.663 0.000 1.024 203 Y HN -0.003 nan 8.280 nan 0.000 0.532 204 Y N 0.060 120.318 120.300 -0.069 0.000 2.500 204 Y HA 0.364 4.913 4.550 -0.000 0.000 0.270 204 Y C 1.283 177.119 175.900 -0.107 0.000 1.134 204 Y CA -0.217 57.823 58.100 -0.100 0.000 1.293 204 Y CB -0.177 38.258 38.460 -0.042 0.000 1.063 204 Y HN 0.067 nan 8.280 nan 0.000 0.534 205 A N 0.502 123.329 122.820 0.012 0.000 2.407 205 A HA 0.041 4.361 4.320 -0.000 0.000 0.248 205 A C 0.941 178.535 177.584 0.017 0.000 1.082 205 A CA -0.291 51.778 52.037 0.053 0.000 0.785 205 A CB 0.235 19.304 19.000 0.115 0.000 1.020 205 A HN 0.343 nan 8.150 nan 0.000 0.489 206 D N -0.156 120.275 120.400 0.052 0.000 2.149 206 D HA -0.102 4.537 4.640 -0.000 0.000 0.198 206 D C 0.368 176.729 176.300 0.101 0.000 0.990 206 D CA 1.733 55.767 54.000 0.056 0.000 0.839 206 D CB 0.073 40.914 40.800 0.068 0.000 0.948 206 D HN 0.650 nan 8.370 nan 0.000 0.460 207 H N -1.099 117.988 119.070 0.028 0.000 3.038 207 H HA 0.402 4.957 4.556 -0.000 0.000 0.362 207 H C -1.199 174.174 175.328 0.075 0.000 1.167 207 H CA -0.546 55.525 56.048 0.038 0.000 1.197 207 H CB 1.456 31.242 29.762 0.040 0.000 1.840 207 H HN -0.193 nan 8.280 nan 0.000 0.540 208 I N 2.667 123.143 120.570 -0.156 0.000 2.441 208 I HA 0.241 4.411 4.170 -0.000 0.000 0.295 208 I C 0.073 176.262 176.117 0.120 0.000 0.994 208 I CA -0.460 60.874 61.300 0.057 0.000 1.144 208 I CB 2.158 40.164 38.000 0.011 0.000 1.314 208 I HN 0.380 nan 8.210 nan 0.000 0.445 209 T N 4.412 119.079 114.554 0.188 0.000 2.841 209 T HA 0.709 5.059 4.350 -0.000 0.000 0.283 209 T C -0.388 174.387 174.700 0.126 0.000 1.000 209 T CA -0.405 61.818 62.100 0.204 0.000 0.977 209 T CB 1.807 70.865 68.868 0.315 0.000 0.979 209 T HN 0.684 nan 8.240 nan 0.000 0.446 210 A N 1.808 124.692 122.820 0.106 0.000 2.288 210 A HA 0.720 5.040 4.320 -0.000 0.000 0.328 210 A C 0.846 178.497 177.584 0.111 0.000 1.123 210 A CA -0.509 51.603 52.037 0.124 0.000 0.861 210 A CB 1.030 20.120 19.000 0.149 0.000 1.272 210 A HN 0.654 nan 8.150 nan 0.000 0.490 211 V N 1.035 121.003 119.914 0.090 0.000 3.577 211 V HA 0.244 4.364 4.120 -0.000 0.000 0.294 211 V C 0.318 176.413 176.094 0.002 0.000 1.317 211 V CA 1.413 63.726 62.300 0.022 0.000 1.169 211 V CB -1.015 30.746 31.823 -0.103 0.000 1.011 211 V HN 1.143 nan 8.190 nan 0.000 0.426 212 S N -2.622 113.096 115.700 0.030 0.000 2.552 212 S HA 0.491 4.961 4.470 -0.000 0.000 0.272 212 S C -2.513 172.092 174.600 0.008 0.000 1.150 212 S CA -0.843 57.351 58.200 -0.010 0.000 0.849 212 S CB 1.680 64.851 63.200 -0.048 0.000 1.113 212 S HN -0.094 nan 8.310 nan 0.000 0.458 213 P HA -0.130 nan 4.420 nan 0.000 0.215 213 P C 1.909 179.183 177.300 -0.044 0.000 1.157 213 P CA 2.547 65.627 63.100 -0.033 0.000 0.868 213 P CB -0.116 31.560 31.700 -0.041 0.000 0.788 214 T N -3.409 111.118 114.554 -0.046 0.000 2.904 214 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 214 T C 1.850 176.503 174.700 -0.077 0.000 1.059 214 T CA 0.754 62.810 62.100 -0.074 0.000 1.137 214 T CB -1.139 67.677 68.868 -0.086 0.000 0.879 214 T HN -0.056 nan 8.240 nan 0.000 0.467 215 Y N 2.026 122.217 120.300 -0.181 0.000 2.242 215 Y HA 0.216 4.766 4.550 -0.000 0.000 0.291 215 Y C 2.682 178.482 175.900 -0.167 0.000 1.137 215 Y CA 0.523 58.502 58.100 -0.202 0.000 1.181 215 Y CB -0.950 37.436 38.460 -0.124 0.000 0.989 215 Y HN 0.338 nan 8.280 nan 0.000 0.527 216 A N 0.276 123.046 122.820 -0.083 0.000 2.032 216 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 216 A C 2.303 179.740 177.584 -0.244 0.000 1.165 216 A CA 1.917 53.858 52.037 -0.160 0.000 0.645 216 A CB -0.461 18.494 19.000 -0.075 0.000 0.807 216 A HN 0.543 nan 8.150 nan 0.000 0.453 217 R N -0.993 119.366 120.500 -0.235 0.000 2.075 217 R HA 0.016 4.356 4.340 -0.000 0.000 0.220 217 R C 2.043 178.178 176.300 -0.275 0.000 1.118 217 R CA 0.993 56.939 56.100 -0.256 0.000 0.986 217 R CB -0.347 29.833 30.300 -0.200 0.000 0.884 217 R HN 0.607 nan 8.270 nan 0.000 0.439 218 E N 1.352 121.338 120.200 -0.356 0.000 2.187 218 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 218 E C 1.834 178.240 176.600 -0.323 0.000 1.004 218 E CA 1.537 57.639 56.400 -0.496 0.000 0.813 218 E CB -0.298 28.724 29.700 -1.130 0.000 0.736 218 E HN 0.491 nan 8.360 nan 0.000 0.468 219 I N -0.828 119.467 120.570 -0.459 0.000 3.444 219 I HA -0.015 4.155 4.170 -0.000 0.000 0.287 219 I C 1.624 177.612 176.117 -0.215 0.000 1.302 219 I CA 0.988 62.062 61.300 -0.376 0.000 1.368 219 I CB -0.348 37.341 38.000 -0.518 0.000 1.048 219 I HN -0.056 nan 8.210 nan 0.000 0.487 220 T N -2.479 111.969 114.554 -0.177 0.000 3.107 220 T HA 0.261 4.611 4.350 -0.000 0.000 0.249 220 T C 0.505 175.165 174.700 -0.067 0.000 1.096 220 T CA -0.218 61.810 62.100 -0.118 0.000 1.012 220 T CB -0.181 68.609 68.868 -0.130 0.000 0.977 220 T HN 0.489 nan 8.240 nan 0.000 0.527 221 E N 1.900 122.083 120.200 -0.028 0.000 2.242 221 E HA 0.265 4.615 4.350 -0.000 0.000 0.275 221 E C -1.959 174.607 176.600 -0.057 0.000 1.002 221 E CA -2.685 53.722 56.400 0.012 0.000 0.841 221 E CB 1.515 31.290 29.700 0.124 0.000 1.109 221 E HN -0.017 nan 8.360 nan 0.000 0.394 222 P HA -0.185 nan 4.420 nan 0.000 0.221 222 P C 1.226 178.372 177.300 -0.257 0.000 1.150 222 P CA 1.065 64.084 63.100 -0.136 0.000 0.800 222 P CB 0.242 31.889 31.700 -0.088 0.000 0.787 223 Q N -1.300 118.301 119.800 -0.332 0.000 2.234 223 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 223 Q C 0.784 176.198 176.000 -0.978 0.000 0.980 223 Q CA 1.441 56.877 55.803 -0.611 0.000 0.869 223 Q CB -0.250 28.034 28.738 -0.756 0.000 0.912 223 Q HN 0.256 nan 8.270 nan 0.000 0.436 224 F N -2.300 117.362 119.950 -0.480 0.000 2.728 224 F HA 0.372 4.899 4.527 -0.000 0.000 0.314 224 F C 1.509 176.639 175.800 -1.117 0.000 1.094 224 F CA 0.202 57.759 58.000 -0.739 0.000 1.217 224 F CB 0.584 39.357 39.000 -0.378 0.000 1.056 224 F HN 0.044 nan 8.300 nan 0.000 0.577 225 A N -1.510 120.893 122.820 -0.696 0.000 2.288 225 A HA 0.182 4.502 4.320 -0.000 0.000 0.216 225 A C 0.378 177.757 177.584 -0.341 0.000 1.199 225 A CA -0.087 51.674 52.037 -0.460 0.000 0.891 225 A CB -0.872 17.997 19.000 -0.219 0.000 0.923 225 A HN 0.463 nan 8.150 nan 0.000 0.500 226 Y N -1.442 118.820 120.300 -0.063 0.000 3.721 226 Y HA -0.305 4.245 4.550 -0.000 0.000 0.218 226 Y C 1.511 177.468 175.900 0.096 0.000 1.188 226 Y CA 0.569 58.652 58.100 -0.028 0.000 1.607 226 Y CB -1.780 36.648 38.460 -0.053 0.000 1.496 226 Y HN 0.924 nan 8.280 nan 0.000 0.626 227 G N -1.820 107.086 108.800 0.176 0.000 2.255 227 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.196 227 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.196 227 G C 0.500 175.546 174.900 0.244 0.000 0.998 227 G CA 0.102 45.368 45.100 0.277 0.000 0.656 227 G HN 0.354 nan 8.290 nan 0.000 0.490 228 M N 1.476 121.116 119.600 0.067 0.000 2.431 228 M HA 0.163 4.643 4.480 -0.000 0.000 0.237 228 M C 2.139 178.418 176.300 -0.034 0.000 1.130 228 M CA 0.860 56.147 55.300 -0.021 0.000 1.002 228 M CB 0.073 32.581 32.600 -0.153 0.000 1.524 228 M HN 0.467 nan 8.290 nan 0.000 0.482 229 E N 1.052 121.234 120.200 -0.030 0.000 2.150 229 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 229 E C 1.774 178.356 176.600 -0.030 0.000 0.985 229 E CA 1.658 58.029 56.400 -0.048 0.000 0.814 229 E CB -0.747 28.921 29.700 -0.054 0.000 0.752 229 E HN 0.428 nan 8.360 nan 0.000 0.466 230 G N 2.791 111.582 108.800 -0.014 0.000 2.553 230 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.218 230 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.218 230 G C 1.671 176.556 174.900 -0.026 0.000 1.195 230 G CA 1.344 46.435 45.100 -0.015 0.000 0.779 230 G HN 0.296 nan 8.290 nan 0.000 0.577 231 L N -0.199 121.004 121.223 -0.034 0.000 2.042 231 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 231 L C 2.950 179.791 176.870 -0.048 0.000 1.076 231 L CA 1.140 55.954 54.840 -0.043 0.000 0.749 231 L CB -0.186 41.848 42.059 -0.042 0.000 0.893 231 L HN 0.265 nan 8.230 nan 0.000 0.432 232 L N -0.941 120.253 121.223 -0.047 0.000 2.109 232 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 232 L C 2.597 179.457 176.870 -0.016 0.000 1.086 232 L CA 1.069 55.879 54.840 -0.050 0.000 0.760 232 L CB -0.339 41.673 42.059 -0.078 0.000 0.910 232 L HN 0.296 nan 8.230 nan 0.000 0.437 233 Q N -0.595 119.201 119.800 -0.006 0.000 2.124 233 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 233 Q C 2.201 178.221 176.000 0.032 0.000 0.977 233 Q CA 1.554 57.379 55.803 0.036 0.000 0.850 233 Q CB -0.128 28.621 28.738 0.018 0.000 0.901 233 Q HN 0.490 nan 8.270 nan 0.000 0.429 234 Q N 0.362 120.159 119.800 -0.006 0.000 2.079 234 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 234 Q C 1.974 177.947 176.000 -0.045 0.000 0.974 234 Q CA 1.012 56.800 55.803 -0.025 0.000 0.840 234 Q CB 0.147 28.867 28.738 -0.029 0.000 0.898 234 Q HN 0.030 nan 8.270 nan 0.000 0.430 235 R N -0.247 120.223 120.500 -0.049 0.000 2.115 235 R HA -0.086 4.254 4.340 -0.000 0.000 0.226 235 R C 2.101 178.378 176.300 -0.038 0.000 1.100 235 R CA 1.616 57.669 56.100 -0.078 0.000 0.980 235 R CB -0.721 29.515 30.300 -0.106 0.000 0.875 235 R HN 0.511 nan 8.270 nan 0.000 0.445 236 H N -0.234 118.781 119.070 -0.092 0.000 2.321 236 H HA -0.056 4.500 4.556 -0.000 0.000 0.300 236 H C 1.613 176.909 175.328 -0.054 0.000 1.087 236 H CA 1.584 57.587 56.048 -0.075 0.000 1.319 236 H CB 0.260 29.983 29.762 -0.065 0.000 1.379 236 H HN 0.083 nan 8.280 nan 0.000 0.501 237 R N 0.301 120.662 120.500 -0.231 0.000 2.148 237 R HA -0.087 4.253 4.340 -0.000 0.000 0.227 237 R C 1.859 178.049 176.300 -0.184 0.000 1.103 237 R CA 1.319 57.256 56.100 -0.272 0.000 0.983 237 R CB 0.067 30.286 30.300 -0.135 0.000 0.874 237 R HN 0.540 nan 8.270 nan 0.000 0.451 238 E N -0.682 119.443 120.200 -0.125 0.000 2.502 238 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 238 E C 0.601 177.158 176.600 -0.071 0.000 1.062 238 E CA 0.330 56.678 56.400 -0.088 0.000 0.867 238 E CB 0.459 30.113 29.700 -0.077 0.000 0.888 238 E HN 0.459 nan 8.360 nan 0.000 0.510 239 G N 2.118 110.862 108.800 -0.093 0.000 2.221 239 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.265 239 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.265 239 G C 0.543 175.462 174.900 0.031 0.000 1.041 239 G CA 0.206 45.294 45.100 -0.020 0.000 0.807 239 G HN 0.256 nan 8.290 nan 0.000 0.502 240 R N -1.366 119.080 120.500 -0.091 0.000 2.509 240 R HA 0.371 4.711 4.340 -0.000 0.000 0.300 240 R C 0.029 175.890 176.300 -0.732 0.000 0.985 240 R CA -0.280 55.625 56.100 -0.325 0.000 1.092 240 R CB 0.743 30.923 30.300 -0.199 0.000 1.237 240 R HN 0.363 nan 8.270 nan 0.000 0.546 241 L N 1.032 122.056 121.223 -0.331 0.000 2.406 241 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 241 L C -0.701 176.180 176.870 0.018 0.000 0.980 241 L CA -0.368 54.355 54.840 -0.195 0.000 0.831 241 L CB 1.944 43.969 42.059 -0.058 0.000 1.253 241 L HN 0.128 nan 8.230 nan 0.000 0.406 242 S N 2.310 118.083 115.700 0.121 0.000 2.638 242 S HA 0.962 5.432 4.470 -0.000 0.000 0.274 242 S C -0.466 174.189 174.600 0.091 0.000 1.157 242 S CA -0.349 57.937 58.200 0.143 0.000 0.826 242 S CB 1.377 64.704 63.200 0.212 0.000 1.139 242 S HN 0.922 nan 8.310 nan 0.000 0.474 243 G N -0.254 108.567 108.800 0.035 0.000 2.388 243 G HA2 0.637 4.597 3.960 -0.000 0.000 0.330 243 G HA3 0.637 4.597 3.960 -0.000 0.000 0.330 243 G C -1.471 173.409 174.900 -0.034 0.000 1.142 243 G CA -0.907 44.202 45.100 0.015 0.000 0.908 243 G HN 0.982 nan 8.290 nan 0.000 0.473 244 V N 3.076 122.959 119.914 -0.052 0.000 2.488 244 V HA 0.224 4.344 4.120 -0.000 0.000 0.293 244 V C -0.289 175.761 176.094 -0.073 0.000 1.027 244 V CA -0.753 61.450 62.300 -0.162 0.000 0.862 244 V CB 1.374 32.908 31.823 -0.482 0.000 1.008 244 V HN 0.768 nan 8.190 nan 0.000 0.428 245 L N 5.150 126.322 121.223 -0.084 0.000 2.490 245 L HA 0.262 4.602 4.340 -0.000 0.000 0.274 245 L C 0.604 177.385 176.870 -0.149 0.000 1.201 245 L CA 0.795 55.581 54.840 -0.090 0.000 0.869 245 L CB 0.188 42.205 42.059 -0.071 0.000 1.123 245 L HN 0.696 nan 8.230 nan 0.000 0.484 246 N N 2.056 120.634 118.700 -0.203 0.000 2.482 246 N HA 0.399 5.139 4.740 -0.000 0.000 0.260 246 N C 0.115 175.090 175.510 -0.891 0.000 1.236 246 N CA 0.234 53.001 53.050 -0.471 0.000 0.938 246 N CB 0.520 38.888 38.487 -0.199 0.000 1.128 246 N HN 0.826 nan 8.380 nan 0.000 0.448 247 G N -0.463 107.048 108.800 -2.148 0.000 2.557 247 G HA2 0.435 4.395 3.960 -0.000 0.000 0.292 247 G HA3 0.435 4.395 3.960 -0.000 0.000 0.292 247 G C -0.653 173.670 174.900 -0.961 0.000 1.237 247 G CA -0.489 43.612 45.100 -1.665 0.000 0.978 247 G HN 0.429 nan 8.290 nan 0.000 0.498 248 V N -1.197 118.543 119.914 -0.291 0.000 2.715 248 V HA 0.552 4.671 4.120 -0.000 0.000 0.310 248 V C -0.846 175.497 176.094 0.415 0.000 1.054 248 V CA -1.054 61.377 62.300 0.219 0.000 0.928 248 V CB 1.940 33.951 31.823 0.312 0.000 1.007 248 V HN 0.592 nan 8.190 nan 0.000 0.437 249 D N 4.228 124.951 120.400 0.538 0.000 2.338 249 D HA 0.118 4.757 4.640 -0.000 0.000 0.255 249 D C 1.222 177.712 176.300 0.316 0.000 1.237 249 D CA 0.081 54.343 54.000 0.437 0.000 0.883 249 D CB 1.490 42.495 40.800 0.341 0.000 1.087 249 D HN 0.879 nan 8.370 nan 0.000 0.485 250 E N 4.531 124.879 120.200 0.247 0.000 2.274 250 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 250 E C 0.718 177.388 176.600 0.116 0.000 0.996 250 E CA 0.792 57.294 56.400 0.169 0.000 0.840 250 E CB -0.081 29.692 29.700 0.120 0.000 0.772 250 E HN 0.486 nan 8.360 nan 0.000 0.491 251 K N 0.532 121.001 120.400 0.115 0.000 2.148 251 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 251 K C 2.209 178.832 176.600 0.039 0.000 1.050 251 K CA 1.625 57.952 56.287 0.068 0.000 0.942 251 K CB -0.149 32.397 32.500 0.078 0.000 0.724 251 K HN 0.309 nan 8.250 nan 0.000 0.446 252 I N -4.123 116.477 120.570 0.050 0.000 4.312 252 I HA 0.140 4.309 4.170 -0.000 0.000 0.324 252 I C -0.233 175.742 176.117 -0.237 0.000 1.298 252 I CA -0.123 61.125 61.300 -0.088 0.000 1.231 252 I CB 0.490 38.455 38.000 -0.058 0.000 1.152 252 I HN -0.037 nan 8.210 nan 0.000 0.421 253 W N 2.215 123.540 121.300 0.041 0.000 2.286 253 W HA 0.698 5.358 4.660 0.001 0.000 0.296 253 W C -0.324 176.271 176.519 0.127 0.000 0.911 253 W CA -0.451 56.940 57.345 0.076 0.000 1.761 253 W CB 1.041 30.333 29.460 -0.280 0.000 1.820 253 W HN -0.142 nan 8.180 nan 0.000 0.403 254 S N 2.096 117.880 115.700 0.141 0.000 2.677 254 S HA 0.230 4.700 4.470 -0.000 0.000 0.283 254 S C -1.718 172.627 174.600 -0.426 0.000 1.159 254 S CA -0.915 57.182 58.200 -0.173 0.000 1.001 254 S CB 2.438 65.585 63.200 -0.089 0.000 1.032 254 S HN 0.072 nan 8.310 nan 0.000 0.487 255 P HA -0.030 nan 4.420 nan 0.000 0.230 255 P C 0.445 177.387 177.300 -0.596 0.000 1.158 255 P CA 0.861 63.392 63.100 -0.948 0.000 0.769 255 P CB 0.241 30.920 31.700 -1.702 0.000 0.807 256 E N -1.261 118.691 120.200 -0.414 0.000 2.427 256 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 256 E C 1.444 177.953 176.600 -0.151 0.000 1.028 256 E CA 1.046 57.299 56.400 -0.246 0.000 0.864 256 E CB -0.329 29.266 29.700 -0.176 0.000 0.813 256 E HN 0.141 nan 8.360 nan 0.000 0.514 257 T N -0.906 113.561 114.554 -0.145 0.000 3.046 257 T HA 0.004 4.354 4.350 -0.000 0.000 0.270 257 T C -0.520 174.134 174.700 -0.076 0.000 0.920 257 T CA -0.360 61.686 62.100 -0.090 0.000 0.874 257 T CB 0.313 69.135 68.868 -0.077 0.000 1.214 257 T HN -0.042 nan 8.240 nan 0.000 0.536 258 D N 2.547 122.897 120.400 -0.082 0.000 2.342 258 D HA 0.095 4.734 4.640 -0.000 0.000 0.260 258 D C 0.987 177.260 176.300 -0.045 0.000 1.278 258 D CA -0.353 53.617 54.000 -0.050 0.000 0.910 258 D CB 0.740 41.569 40.800 0.049 0.000 1.079 258 D HN 0.011 nan 8.370 nan 0.000 0.496 259 L N 3.974 125.152 121.223 -0.075 0.000 2.456 259 L HA -0.041 4.299 4.340 -0.000 0.000 0.224 259 L C 1.841 178.673 176.870 -0.064 0.000 1.148 259 L CA 0.895 55.698 54.840 -0.062 0.000 0.825 259 L CB -0.622 41.396 42.059 -0.068 0.000 0.937 259 L HN 0.565 nan 8.230 nan 0.000 0.450 260 L N -1.565 119.596 121.223 -0.103 0.000 2.591 260 L HA 0.036 4.376 4.340 -0.000 0.000 0.228 260 L C 0.170 177.047 176.870 0.012 0.000 1.133 260 L CA -0.247 54.545 54.840 -0.080 0.000 0.880 260 L CB -0.099 41.846 42.059 -0.190 0.000 1.033 260 L HN 0.018 nan 8.230 nan 0.000 0.450 261 L N -0.448 120.801 121.223 0.043 0.000 2.322 261 L HA 0.413 4.753 4.340 -0.000 0.000 0.279 261 L C 1.309 178.230 176.870 0.085 0.000 1.036 261 L CA 0.105 55.006 54.840 0.102 0.000 0.807 261 L CB 1.251 43.409 42.059 0.164 0.000 1.226 261 L HN -0.072 nan 8.230 nan 0.000 0.433 262 A N 2.240 125.116 122.820 0.093 0.000 1.903 262 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 262 A C 1.098 178.727 177.584 0.076 0.000 1.191 262 A CA 1.978 54.060 52.037 0.075 0.000 0.638 262 A CB -0.268 18.777 19.000 0.074 0.000 0.823 262 A HN 0.604 nan 8.150 nan 0.000 0.451 263 S N -1.608 114.158 115.700 0.109 0.000 2.557 263 S HA 0.610 5.080 4.470 -0.000 0.000 0.291 263 S C -0.461 174.254 174.600 0.191 0.000 1.116 263 S CA -0.793 57.480 58.200 0.121 0.000 0.992 263 S CB 0.990 64.255 63.200 0.108 0.000 1.028 263 S HN 0.454 nan 8.310 nan 0.000 0.484 264 R N 1.868 122.446 120.500 0.130 0.000 2.577 264 R HA 0.652 4.992 4.340 -0.000 0.000 0.269 264 R C -0.809 175.604 176.300 0.188 0.000 1.084 264 R CA -0.212 55.940 56.100 0.087 0.000 1.163 264 R CB 0.661 30.956 30.300 -0.008 0.000 1.100 264 R HN 0.748 nan 8.270 nan 0.000 0.547 265 Y N -3.164 117.124 120.300 -0.021 0.000 2.750 265 Y HA 0.598 5.148 4.550 -0.001 0.000 0.335 265 Y C -1.017 174.857 175.900 -0.043 0.000 1.252 265 Y CA -1.210 56.878 58.100 -0.019 0.000 1.064 265 Y CB 1.264 39.725 38.460 0.002 0.000 1.321 265 Y HN 0.682 nan 8.280 nan 0.000 0.451 266 T N -2.177 112.458 114.554 0.135 0.000 2.883 266 T HA 0.349 4.699 4.350 -0.000 0.000 0.296 266 T C 0.351 175.115 174.700 0.106 0.000 1.117 266 T CA -0.782 61.329 62.100 0.019 0.000 1.006 266 T CB 2.161 71.026 68.868 -0.004 0.000 1.191 266 T HN 1.033 nan 8.240 nan 0.000 0.508 267 R N -0.045 120.480 120.500 0.041 0.000 2.211 267 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 267 R C 0.574 176.906 176.300 0.054 0.000 1.144 267 R CA 2.086 58.215 56.100 0.049 0.000 0.992 267 R CB -0.239 30.062 30.300 0.003 0.000 0.869 267 R HN 0.657 nan 8.270 nan 0.000 0.462 268 D N -1.286 119.143 120.400 0.047 0.000 2.398 268 D HA 0.006 4.646 4.640 -0.000 0.000 0.210 268 D C 0.226 176.556 176.300 0.050 0.000 1.094 268 D CA 0.724 54.748 54.000 0.040 0.000 0.839 268 D CB 1.173 41.986 40.800 0.023 0.000 0.963 268 D HN 0.297 nan 8.370 nan 0.000 0.506 269 T N -1.586 113.013 114.554 0.075 0.000 3.584 269 T HA 0.296 4.646 4.350 -0.000 0.000 0.259 269 T C 1.454 176.210 174.700 0.093 0.000 1.009 269 T CA -0.303 61.841 62.100 0.074 0.000 1.103 269 T CB -0.450 68.463 68.868 0.074 0.000 1.099 269 T HN -0.117 nan 8.240 nan 0.000 0.539 270 L N 1.482 122.752 121.223 0.078 0.000 2.261 270 L HA -0.117 4.223 4.340 -0.000 0.000 0.216 270 L C 3.036 179.875 176.870 -0.052 0.000 1.114 270 L CA 1.488 56.343 54.840 0.025 0.000 0.777 270 L CB -0.352 41.733 42.059 0.044 0.000 0.910 270 L HN 0.554 nan 8.230 nan 0.000 0.440 271 E N -0.139 120.052 120.200 -0.015 0.000 2.147 271 E HA -0.307 4.043 4.350 -0.000 0.000 0.199 271 E C 0.940 177.517 176.600 -0.039 0.000 1.005 271 E CA 1.921 58.304 56.400 -0.028 0.000 0.810 271 E CB -0.624 29.071 29.700 -0.009 0.000 0.736 271 E HN 0.494 nan 8.360 nan 0.000 0.460 272 D N 0.907 121.301 120.400 -0.010 0.000 2.392 272 D HA -0.066 4.574 4.640 -0.000 0.000 0.228 272 D C 1.584 177.841 176.300 -0.072 0.000 1.003 272 D CA 0.568 54.574 54.000 0.010 0.000 0.917 272 D CB -0.117 40.742 40.800 0.097 0.000 0.890 272 D HN 0.281 nan 8.370 nan 0.000 0.532 273 K N 0.696 120.920 120.400 -0.292 0.000 2.305 273 K HA 0.063 4.383 4.320 -0.000 0.000 0.199 273 K C 1.836 178.320 176.600 -0.193 0.000 1.047 273 K CA 0.397 56.379 56.287 -0.508 0.000 0.976 273 K CB 0.229 32.147 32.500 -0.970 0.000 0.765 273 K HN -0.016 nan 8.250 nan 0.000 0.474 274 A N 1.769 124.519 122.820 -0.116 0.000 1.903 274 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 274 A C 1.967 179.537 177.584 -0.023 0.000 1.191 274 A CA 2.220 54.224 52.037 -0.054 0.000 0.638 274 A CB -0.654 18.323 19.000 -0.038 0.000 0.823 274 A HN 0.449 nan 8.150 nan 0.000 0.451 275 E N 0.592 120.785 120.200 -0.012 0.000 2.118 275 E HA -0.178 4.171 4.350 -0.000 0.000 0.195 275 E C 1.736 178.351 176.600 0.026 0.000 0.992 275 E CA 1.711 58.119 56.400 0.013 0.000 0.804 275 E CB -0.330 29.384 29.700 0.023 0.000 0.741 275 E HN 0.615 nan 8.360 nan 0.000 0.458 276 N N 0.294 119.010 118.700 0.028 0.000 2.244 276 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 276 N C 1.547 177.079 175.510 0.037 0.000 1.016 276 N CA 1.005 54.087 53.050 0.054 0.000 0.866 276 N CB -0.224 38.317 38.487 0.090 0.000 0.980 276 N HN 0.225 nan 8.380 nan 0.000 0.430 277 K N 1.200 121.608 120.400 0.013 0.000 2.002 277 K HA -0.024 4.296 4.320 -0.000 0.000 0.209 277 K C 2.113 178.727 176.600 0.023 0.000 1.048 277 K CA 0.880 57.175 56.287 0.012 0.000 0.930 277 K CB 0.078 32.579 32.500 0.003 0.000 0.714 277 K HN 0.009 nan 8.250 nan 0.000 0.438 278 R N 0.570 121.083 120.500 0.023 0.000 2.094 278 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 278 R C 2.519 178.844 176.300 0.040 0.000 1.137 278 R CA 2.246 58.363 56.100 0.029 0.000 0.943 278 R CB -0.258 30.056 30.300 0.025 0.000 0.850 278 R HN 0.324 nan 8.270 nan 0.000 0.433 279 Q N -0.012 119.817 119.800 0.047 0.000 2.135 279 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 279 Q C 2.047 178.099 176.000 0.087 0.000 0.981 279 Q CA 1.380 57.221 55.803 0.063 0.000 0.856 279 Q CB -0.078 28.700 28.738 0.067 0.000 0.902 279 Q HN 0.191 nan 8.270 nan 0.000 0.425 280 L N 0.500 121.771 121.223 0.080 0.000 2.027 280 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 280 L C 2.017 178.944 176.870 0.094 0.000 1.074 280 L CA 1.830 56.726 54.840 0.095 0.000 0.745 280 L CB -0.456 41.622 42.059 0.033 0.000 0.898 280 L HN 0.211 nan 8.230 nan 0.000 0.433 281 Q N -0.479 119.357 119.800 0.061 0.000 2.045 281 Q HA -0.258 4.082 4.340 -0.000 0.000 0.206 281 Q C 2.279 178.315 176.000 0.060 0.000 0.991 281 Q CA 2.522 58.358 55.803 0.054 0.000 0.851 281 Q CB -0.352 28.409 28.738 0.038 0.000 0.911 281 Q HN 0.574 nan 8.270 nan 0.000 0.418 282 I N 0.397 121.001 120.570 0.056 0.000 2.118 282 I HA -0.344 3.826 4.170 -0.000 0.000 0.241 282 I C 2.382 178.533 176.117 0.057 0.000 1.070 282 I CA 1.264 62.594 61.300 0.049 0.000 1.327 282 I CB -0.412 37.613 38.000 0.042 0.000 1.034 282 I HN 0.214 nan 8.210 nan 0.000 0.405 283 A N -0.049 122.822 122.820 0.085 0.000 1.972 283 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 283 A C 2.214 179.840 177.584 0.069 0.000 1.169 283 A CA 1.415 53.499 52.037 0.078 0.000 0.635 283 A CB -0.317 18.775 19.000 0.153 0.000 0.810 283 A HN 0.330 nan 8.150 nan 0.000 0.446 284 M N -1.712 117.960 119.600 0.120 0.000 2.514 284 M HA 0.157 4.637 4.480 -0.000 0.000 0.258 284 M C 1.327 177.669 176.300 0.069 0.000 1.119 284 M CA 0.838 56.206 55.300 0.113 0.000 1.111 284 M CB -0.912 31.768 32.600 0.133 0.000 1.390 284 M HN 0.809 nan 8.290 nan 0.000 0.475 285 G N 2.039 110.873 108.800 0.057 0.000 2.303 285 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.260 285 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.260 285 G C -0.351 174.579 174.900 0.050 0.000 1.106 285 G CA -0.175 44.951 45.100 0.044 0.000 0.900 285 G HN 0.398 nan 8.290 nan 0.000 0.495 286 L N -0.730 120.524 121.223 0.051 0.000 2.332 286 L HA 0.581 4.921 4.340 -0.000 0.000 0.269 286 L C 1.062 177.957 176.870 0.042 0.000 1.016 286 L CA -1.240 53.629 54.840 0.049 0.000 0.809 286 L CB 1.224 43.312 42.059 0.049 0.000 1.280 286 L HN 0.164 nan 8.230 nan 0.000 0.447 287 K N 0.840 121.264 120.400 0.040 0.000 2.484 287 K HA 0.100 4.420 4.320 -0.000 0.000 0.280 287 K C -0.810 175.809 176.600 0.033 0.000 1.013 287 K CA -0.291 56.017 56.287 0.035 0.000 1.029 287 K CB 0.647 33.169 32.500 0.035 0.000 0.902 287 K HN 0.331 nan 8.250 nan 0.000 0.481 288 V N 5.293 125.225 119.914 0.030 0.000 2.397 288 V HA 0.045 4.164 4.120 -0.000 0.000 0.262 288 V C -0.180 175.931 176.094 0.029 0.000 1.047 288 V CA 0.212 62.529 62.300 0.029 0.000 1.003 288 V CB 0.521 32.359 31.823 0.026 0.000 1.037 288 V HN 0.794 nan 8.190 nan 0.000 0.480 289 D N 3.327 123.745 120.400 0.031 0.000 2.891 289 D HA 0.222 4.862 4.640 -0.000 0.000 0.224 289 D C 0.083 176.412 176.300 0.049 0.000 1.321 289 D CA -0.530 53.493 54.000 0.038 0.000 0.929 289 D CB 2.079 42.904 40.800 0.041 0.000 1.551 289 D HN 0.552 nan 8.370 nan 0.000 0.574 290 D N 2.239 122.670 120.400 0.052 0.000 2.349 290 D HA 0.003 4.643 4.640 -0.000 0.000 0.214 290 D C 0.570 176.941 176.300 0.119 0.000 1.063 290 D CA 0.137 54.176 54.000 0.066 0.000 0.847 290 D CB 0.348 41.163 40.800 0.025 0.000 0.933 290 D HN 0.187 nan 8.370 nan 0.000 0.513 291 K N 0.196 120.674 120.400 0.129 0.000 2.387 291 K HA 0.220 4.540 4.320 -0.000 0.000 0.198 291 K C -0.250 176.570 176.600 0.367 0.000 1.022 291 K CA -0.102 56.288 56.287 0.172 0.000 1.128 291 K CB 1.772 34.331 32.500 0.098 0.000 0.853 291 K HN 0.054 nan 8.250 nan 0.000 0.523 292 V N 3.056 123.149 119.914 0.298 0.000 2.789 292 V HA 0.288 4.408 4.120 -0.000 0.000 0.311 292 V C -2.556 173.313 176.094 -0.375 0.000 1.073 292 V CA -2.303 60.042 62.300 0.075 0.000 0.921 292 V CB 2.679 34.529 31.823 0.045 0.000 1.009 292 V HN 0.004 nan 8.190 nan 0.000 0.426 293 P HA 0.275 nan 4.420 nan 0.000 0.285 293 P C -1.203 175.638 177.300 -0.765 0.000 1.259 293 P CA -0.420 61.696 63.100 -1.641 0.000 0.794 293 P CB 1.471 31.838 31.700 -2.223 0.000 0.940 294 L N 5.074 125.921 121.223 -0.627 0.000 2.280 294 L HA 0.510 4.850 4.340 -0.000 0.000 0.287 294 L C -1.217 175.465 176.870 -0.314 0.000 1.023 294 L CA -0.784 53.889 54.840 -0.278 0.000 0.819 294 L CB -0.208 41.758 42.059 -0.155 0.000 1.212 294 L HN 0.131 nan 8.230 nan 0.000 0.420 295 F N 3.812 123.657 119.950 -0.175 0.000 2.403 295 F HA 0.823 5.350 4.527 -0.000 0.000 0.326 295 F C 0.701 176.446 175.800 -0.092 0.000 1.081 295 F CA 0.010 57.934 58.000 -0.127 0.000 1.041 295 F CB 1.694 40.617 39.000 -0.127 0.000 1.234 295 F HN 0.693 nan 8.300 nan 0.000 0.503 296 A N 0.868 123.758 122.820 0.117 0.000 2.539 296 A HA 0.845 5.165 4.320 -0.000 0.000 0.296 296 A C -1.776 175.801 177.584 -0.013 0.000 1.073 296 A CA -0.694 51.353 52.037 0.016 0.000 0.700 296 A CB 1.623 20.603 19.000 -0.032 0.000 1.296 296 A HN 0.481 nan 8.150 nan 0.000 0.405 297 V N 0.767 120.638 119.914 -0.073 0.000 2.638 297 V HA 0.619 4.739 4.120 -0.000 0.000 0.306 297 V C -0.881 175.147 176.094 -0.110 0.000 1.052 297 V CA -0.537 61.703 62.300 -0.100 0.000 0.885 297 V CB 1.813 33.535 31.823 -0.167 0.000 0.999 297 V HN 0.735 nan 8.190 nan 0.000 0.424 298 V N 4.046 123.898 119.914 -0.104 0.000 2.398 298 V HA 0.792 4.912 4.120 -0.000 0.000 0.282 298 V C -0.299 175.740 176.094 -0.091 0.000 1.014 298 V CA -0.037 62.203 62.300 -0.099 0.000 0.838 298 V CB 1.434 33.193 31.823 -0.106 0.000 1.018 298 V HN 1.108 nan 8.190 nan 0.000 0.432 299 S N 4.425 120.085 115.700 -0.068 0.000 2.578 299 S HA 0.599 5.069 4.470 -0.000 0.000 0.272 299 S C -0.812 173.790 174.600 0.004 0.000 1.145 299 S CA -1.234 56.942 58.200 -0.040 0.000 0.835 299 S CB 1.509 64.677 63.200 -0.053 0.000 1.104 299 S HN 0.554 nan 8.310 nan 0.000 0.458 300 R N 0.342 120.864 120.500 0.037 0.000 2.583 300 R HA 0.181 4.521 4.340 -0.000 0.000 0.274 300 R C -0.811 175.519 176.300 0.049 0.000 0.998 300 R CA -0.221 55.917 56.100 0.064 0.000 1.081 300 R CB -0.108 30.235 30.300 0.071 0.000 0.940 300 R HN 0.414 nan 8.270 nan 0.000 0.413 301 L N 3.630 124.893 121.223 0.067 0.000 2.288 301 L HA 0.243 4.582 4.340 -0.000 0.000 0.283 301 L C 0.398 177.315 176.870 0.079 0.000 1.072 301 L CA 0.359 55.248 54.840 0.081 0.000 0.862 301 L CB 0.278 42.401 42.059 0.106 0.000 1.245 301 L HN 0.824 nan 8.230 nan 0.000 0.432 302 T N -2.329 112.267 114.554 0.070 0.000 2.816 302 T HA 0.335 4.685 4.350 -0.000 0.000 0.299 302 T C 1.063 175.801 174.700 0.064 0.000 1.230 302 T CA 0.044 62.186 62.100 0.069 0.000 1.007 302 T CB 1.250 70.170 68.868 0.088 0.000 1.289 302 T HN 0.278 nan 8.240 nan 0.000 0.508 303 S N 0.204 115.945 115.700 0.069 0.000 2.383 303 S HA -0.268 4.202 4.470 -0.000 0.000 0.229 303 S C 1.936 176.594 174.600 0.096 0.000 1.030 303 S CA 1.650 59.900 58.200 0.084 0.000 1.002 303 S CB -1.069 62.181 63.200 0.084 0.000 0.829 303 S HN 0.858 nan 8.310 nan 0.000 0.467 304 Q N 1.086 120.934 119.800 0.080 0.000 2.207 304 Q HA -0.257 4.083 4.340 -0.000 0.000 0.215 304 Q C 1.271 177.195 176.000 -0.127 0.000 1.006 304 Q CA 1.898 57.626 55.803 -0.124 0.000 0.903 304 Q CB -0.125 28.367 28.738 -0.410 0.000 0.947 304 Q HN 0.473 nan 8.270 nan 0.000 0.414 305 K N -1.562 118.812 120.400 -0.043 0.000 2.393 305 K HA 0.096 4.416 4.320 -0.000 0.000 0.193 305 K C 1.035 177.661 176.600 0.044 0.000 1.026 305 K CA 0.786 57.055 56.287 -0.029 0.000 1.064 305 K CB 0.642 33.130 32.500 -0.019 0.000 0.833 305 K HN 0.435 nan 8.250 nan 0.000 0.521 306 G N 2.089 110.937 108.800 0.081 0.000 2.179 306 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.257 306 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.257 306 G C 0.765 175.740 174.900 0.125 0.000 1.010 306 G CA 0.427 45.599 45.100 0.121 0.000 0.736 306 G HN 0.321 nan 8.290 nan 0.000 0.513 307 L N 0.583 121.885 121.223 0.132 0.000 2.376 307 L HA 0.033 4.373 4.340 -0.000 0.000 0.219 307 L C 2.642 179.632 176.870 0.201 0.000 1.133 307 L CA 1.311 56.272 54.840 0.203 0.000 0.816 307 L CB -0.287 41.927 42.059 0.260 0.000 0.933 307 L HN 0.491 nan 8.230 nan 0.000 0.449 308 D N 0.383 120.848 120.400 0.107 0.000 2.269 308 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 308 D C 2.039 178.343 176.300 0.008 0.000 0.963 308 D CA 0.908 54.922 54.000 0.023 0.000 0.864 308 D CB -0.303 40.509 40.800 0.020 0.000 0.936 308 D HN 0.353 nan 8.370 nan 0.000 0.505 309 L N 0.386 121.637 121.223 0.046 0.000 2.109 309 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 309 L C 2.739 179.605 176.870 -0.006 0.000 1.086 309 L CA 0.487 55.337 54.840 0.018 0.000 0.760 309 L CB -0.454 41.627 42.059 0.036 0.000 0.910 309 L HN -0.078 nan 8.230 nan 0.000 0.437 310 V N 0.276 120.224 119.914 0.058 0.000 2.295 310 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 310 V C 2.484 178.608 176.094 0.050 0.000 1.049 310 V CA 1.680 64.031 62.300 0.083 0.000 1.024 310 V CB -0.373 31.592 31.823 0.236 0.000 0.648 310 V HN 0.340 nan 8.190 nan 0.000 0.447 311 L N -0.292 120.915 121.223 -0.026 0.000 1.989 311 L HA -0.271 4.069 4.340 -0.000 0.000 0.211 311 L C 2.693 179.481 176.870 -0.137 0.000 1.071 311 L CA 2.253 56.939 54.840 -0.257 0.000 0.749 311 L CB -0.428 41.361 42.059 -0.450 0.000 0.890 311 L HN 0.424 nan 8.230 nan 0.000 0.431 312 E N -0.577 119.565 120.200 -0.096 0.000 2.130 312 E HA -0.263 4.086 4.350 -0.000 0.000 0.196 312 E C 1.733 178.291 176.600 -0.070 0.000 0.998 312 E CA 1.391 57.752 56.400 -0.065 0.000 0.806 312 E CB -0.017 29.660 29.700 -0.038 0.000 0.738 312 E HN 0.547 nan 8.360 nan 0.000 0.459 313 A N -0.110 122.657 122.820 -0.088 0.000 2.275 313 A HA 0.057 4.377 4.320 -0.000 0.000 0.212 313 A C 1.709 179.205 177.584 -0.147 0.000 1.201 313 A CA -0.089 51.873 52.037 -0.124 0.000 0.843 313 A CB -0.050 18.850 19.000 -0.167 0.000 0.873 313 A HN 0.269 nan 8.150 nan 0.000 0.492 314 L N 0.852 122.001 121.223 -0.124 0.000 2.017 314 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 314 L C -0.849 175.886 176.870 -0.225 0.000 1.073 314 L CA 2.319 57.065 54.840 -0.155 0.000 0.745 314 L CB -1.202 40.803 42.059 -0.091 0.000 0.894 314 L HN 0.131 nan 8.230 nan 0.000 0.432 315 P HA -0.139 nan 4.420 nan 0.000 0.215 315 P C 1.664 178.845 177.300 -0.199 0.000 1.157 315 P CA 1.959 64.941 63.100 -0.197 0.000 0.874 315 P CB -0.441 31.213 31.700 -0.076 0.000 0.790 316 G N -0.187 108.511 108.800 -0.170 0.000 2.442 316 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 316 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 316 G C 1.544 176.300 174.900 -0.241 0.000 1.141 316 G CA 0.506 45.495 45.100 -0.186 0.000 0.763 316 G HN 0.277 nan 8.290 nan 0.000 0.554 317 L N -0.235 120.843 121.223 -0.240 0.000 2.046 317 L HA 0.059 4.398 4.340 -0.000 0.000 0.208 317 L C 2.762 179.510 176.870 -0.203 0.000 1.077 317 L CA 0.960 55.663 54.840 -0.228 0.000 0.747 317 L CB -0.104 41.758 42.059 -0.327 0.000 0.896 317 L HN 0.221 nan 8.230 nan 0.000 0.432 318 L N -0.729 120.345 121.223 -0.247 0.000 2.068 318 L HA -0.172 4.168 4.340 -0.000 0.000 0.204 318 L C 2.552 179.294 176.870 -0.213 0.000 1.076 318 L CA 1.038 55.734 54.840 -0.240 0.000 0.753 318 L CB -0.663 41.148 42.059 -0.414 0.000 0.910 318 L HN 0.278 nan 8.230 nan 0.000 0.439 319 E N 0.399 120.464 120.200 -0.225 0.000 2.187 319 E HA -0.297 4.053 4.350 -0.000 0.000 0.199 319 E C 1.905 178.343 176.600 -0.269 0.000 1.004 319 E CA 1.562 57.843 56.400 -0.198 0.000 0.813 319 E CB 0.046 29.641 29.700 -0.175 0.000 0.736 319 E HN 0.611 nan 8.360 nan 0.000 0.468 320 Q N -1.654 117.880 119.800 -0.443 0.000 2.425 320 Q HA 0.097 4.437 4.340 -0.000 0.000 0.204 320 Q C 1.024 176.697 176.000 -0.545 0.000 0.933 320 Q CA 0.550 55.911 55.803 -0.736 0.000 0.939 320 Q CB 0.965 28.794 28.738 -1.514 0.000 1.044 320 Q HN 0.353 nan 8.270 nan 0.000 0.513 321 G N 0.387 109.058 108.800 -0.215 0.000 2.148 321 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.157 321 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.157 321 G C 0.132 175.139 174.900 0.178 0.000 1.012 321 G CA -0.532 44.577 45.100 0.014 0.000 0.677 321 G HN 0.465 nan 8.290 nan 0.000 0.506 322 G N -0.781 108.171 108.800 0.254 0.000 2.462 322 G HA2 0.632 4.592 3.960 -0.000 0.000 0.319 322 G HA3 0.632 4.592 3.960 -0.000 0.000 0.319 322 G C -0.212 174.776 174.900 0.146 0.000 1.171 322 G CA -0.382 44.936 45.100 0.364 0.000 0.920 322 G HN 0.368 nan 8.290 nan 0.000 0.499 323 Q N -1.076 118.810 119.800 0.144 0.000 2.297 323 Q HA 0.582 4.922 4.340 -0.000 0.000 0.268 323 Q C -1.359 174.716 176.000 0.124 0.000 1.045 323 Q CA -0.824 55.029 55.803 0.084 0.000 0.861 323 Q CB 2.734 31.495 28.738 0.038 0.000 1.344 323 Q HN 0.368 nan 8.270 nan 0.000 0.452 324 L N 0.816 122.080 121.223 0.068 0.000 2.385 324 L HA 0.769 5.109 4.340 -0.000 0.000 0.273 324 L C -1.719 175.176 176.870 0.043 0.000 0.990 324 L CA -0.321 54.558 54.840 0.064 0.000 0.821 324 L CB 1.797 43.874 42.059 0.031 0.000 1.279 324 L HN 0.680 nan 8.230 nan 0.000 0.412 325 A N 5.863 128.697 122.820 0.023 0.000 2.304 325 A HA 0.736 5.056 4.320 -0.000 0.000 0.314 325 A C -1.507 176.052 177.584 -0.042 0.000 1.187 325 A CA -0.450 51.592 52.037 0.010 0.000 0.810 325 A CB 0.948 19.953 19.000 0.009 0.000 1.183 325 A HN 0.824 nan 8.150 nan 0.000 0.487 326 L N 3.207 124.395 121.223 -0.058 0.000 2.365 326 L HA 0.840 5.180 4.340 -0.000 0.000 0.273 326 L C -1.475 175.364 176.870 -0.051 0.000 1.000 326 L CA -0.966 53.782 54.840 -0.154 0.000 0.819 326 L CB 1.887 43.705 42.059 -0.402 0.000 1.284 326 L HN 0.731 nan 8.230 nan 0.000 0.418 327 L N 5.040 126.234 121.223 -0.048 0.000 2.406 327 L HA 1.042 5.382 4.340 -0.000 0.000 0.272 327 L C -0.682 176.180 176.870 -0.014 0.000 0.980 327 L CA 0.330 55.194 54.840 0.039 0.000 0.831 327 L CB 1.670 43.796 42.059 0.112 0.000 1.253 327 L HN 0.658 nan 8.230 nan 0.000 0.406 328 G N 2.780 111.588 108.800 0.014 0.000 2.368 328 G HA2 0.796 4.756 3.960 -0.000 0.000 0.293 328 G HA3 0.796 4.756 3.960 -0.000 0.000 0.293 328 G C -2.201 172.732 174.900 0.055 0.000 1.467 328 G CA -0.155 44.953 45.100 0.013 0.000 0.804 328 G HN 1.195 nan 8.290 nan 0.000 0.535 329 A N -1.069 121.797 122.820 0.076 0.000 2.547 329 A HA 1.149 5.469 4.320 -0.000 0.000 0.297 329 A C 0.351 177.986 177.584 0.084 0.000 1.056 329 A CA 0.481 52.571 52.037 0.088 0.000 0.688 329 A CB 1.454 20.519 19.000 0.108 0.000 1.282 329 A HN 2.734 nan 8.150 nan 0.000 0.400 330 G N 0.475 109.316 108.800 0.068 0.000 2.350 330 G HA2 0.323 4.283 3.960 -0.000 0.000 0.085 330 G HA3 0.323 4.283 3.960 -0.000 0.000 0.085 330 G C -0.763 174.160 174.900 0.039 0.000 1.159 330 G CA 0.134 45.265 45.100 0.052 0.000 1.146 330 G HN 1.210 nan 8.290 nan 0.000 0.449 331 D N 2.382 122.808 120.400 0.043 0.000 3.167 331 D HA 0.129 4.769 4.640 -0.000 0.000 0.232 331 D C -0.863 175.463 176.300 0.044 0.000 1.231 331 D CA -0.261 53.761 54.000 0.038 0.000 0.845 331 D CB 1.117 41.946 40.800 0.048 0.000 1.157 331 D HN 0.017 nan 8.370 nan 0.000 0.576 332 P HA -0.124 nan 4.420 nan 0.000 0.220 332 P C 1.523 178.841 177.300 0.031 0.000 1.148 332 P CA 0.364 63.481 63.100 0.029 0.000 0.803 332 P CB 0.251 31.958 31.700 0.012 0.000 0.782 333 V N -0.440 119.488 119.914 0.022 0.000 2.287 333 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 333 V C 2.396 178.500 176.094 0.016 0.000 1.053 333 V CA 1.791 64.098 62.300 0.013 0.000 1.027 333 V CB -1.423 30.403 31.823 0.005 0.000 0.646 333 V HN 0.069 nan 8.190 nan 0.000 0.447 334 L N -0.675 120.577 121.223 0.048 0.000 2.005 334 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 334 L C 2.779 179.750 176.870 0.169 0.000 1.072 334 L CA 1.687 56.585 54.840 0.097 0.000 0.744 334 L CB -0.800 41.361 42.059 0.170 0.000 0.895 334 L HN 0.302 nan 8.230 nan 0.000 0.433 335 Q N -0.141 119.751 119.800 0.154 0.000 2.047 335 Q HA -0.328 4.012 4.340 -0.000 0.000 0.211 335 Q C 2.201 178.283 176.000 0.135 0.000 1.005 335 Q CA 2.273 58.168 55.803 0.154 0.000 0.866 335 Q CB -0.223 28.576 28.738 0.101 0.000 0.938 335 Q HN 0.346 nan 8.270 nan 0.000 0.414 336 E N -0.216 120.030 120.200 0.078 0.000 2.028 336 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 336 E C 1.933 178.554 176.600 0.034 0.000 0.988 336 E CA 1.307 57.737 56.400 0.051 0.000 0.799 336 E CB -0.742 28.975 29.700 0.028 0.000 0.755 336 E HN 0.433 nan 8.360 nan 0.000 0.447 337 G N 0.006 108.800 108.800 -0.011 0.000 2.631 337 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 337 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 337 G C 1.425 176.247 174.900 -0.129 0.000 1.214 337 G CA 1.273 46.306 45.100 -0.110 0.000 0.785 337 G HN 0.264 nan 8.290 nan 0.000 0.596 338 F N 0.697 120.670 119.950 0.038 0.000 2.102 338 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 338 F C 2.795 178.626 175.800 0.052 0.000 1.105 338 F CA 0.895 58.922 58.000 0.046 0.000 1.239 338 F CB -0.739 38.288 39.000 0.045 0.000 0.991 338 F HN 0.019 nan 8.300 nan 0.000 0.474 339 L N -0.418 120.939 121.223 0.225 0.000 1.997 339 L HA -0.333 4.007 4.340 -0.000 0.000 0.216 339 L C 2.737 179.665 176.870 0.097 0.000 1.074 339 L CA 1.450 56.373 54.840 0.138 0.000 0.763 339 L CB -1.162 40.957 42.059 0.100 0.000 0.890 339 L HN 0.177 nan 8.230 nan 0.000 0.434 340 A N -0.120 122.738 122.820 0.062 0.000 1.903 340 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 340 A C 2.495 180.104 177.584 0.041 0.000 1.191 340 A CA 2.376 54.428 52.037 0.026 0.000 0.638 340 A CB -0.950 18.047 19.000 -0.006 0.000 0.823 340 A HN 0.485 nan 8.150 nan 0.000 0.451 341 A N -0.609 122.267 122.820 0.092 0.000 1.933 341 A HA 0.173 4.493 4.320 -0.000 0.000 0.218 341 A C 2.499 180.223 177.584 0.233 0.000 1.175 341 A CA 2.182 54.331 52.037 0.186 0.000 0.628 341 A CB -0.946 18.179 19.000 0.209 0.000 0.814 341 A HN 1.142 nan 8.150 nan 0.000 0.444 342 A N -0.241 122.691 122.820 0.188 0.000 1.897 342 A HA 0.255 4.575 4.320 -0.000 0.000 0.215 342 A C 2.496 180.143 177.584 0.104 0.000 1.181 342 A CA 1.809 53.943 52.037 0.162 0.000 0.620 342 A CB -1.000 18.083 19.000 0.139 0.000 0.821 342 A HN 0.990 nan 8.150 nan 0.000 0.443 343 A N -0.167 122.689 122.820 0.061 0.000 1.851 343 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 343 A C 2.020 179.578 177.584 -0.043 0.000 1.195 343 A CA 1.943 53.987 52.037 0.012 0.000 0.622 343 A CB -0.744 18.255 19.000 -0.000 0.000 0.831 343 A HN 0.623 nan 8.150 nan 0.000 0.444 344 E N -1.637 118.493 120.200 -0.116 0.000 2.085 344 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 344 E C -0.206 176.151 176.600 -0.404 0.000 0.994 344 E CA 1.166 57.359 56.400 -0.345 0.000 0.801 344 E CB -0.092 29.264 29.700 -0.573 0.000 0.743 344 E HN 0.764 nan 8.360 nan 0.000 0.453 345 Y N 0.389 120.701 120.300 0.021 0.000 2.553 345 Y HA 0.302 4.852 4.550 -0.001 0.000 0.369 345 Y C -2.270 173.646 175.900 0.027 0.000 0.964 345 Y CA -2.696 55.416 58.100 0.020 0.000 1.156 345 Y CB 0.543 39.015 38.460 0.019 0.000 1.218 345 Y HN 0.041 nan 8.280 nan 0.000 0.630 346 P HA 0.082 nan 4.420 nan 0.000 0.269 346 P C 1.107 178.462 177.300 0.093 0.000 1.209 346 P CA 1.196 64.352 63.100 0.093 0.000 0.776 346 P CB 1.421 33.152 31.700 0.052 0.000 0.876 347 G N 2.618 111.465 108.800 0.078 0.000 2.212 347 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.266 347 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.266 347 G C 0.569 175.511 174.900 0.071 0.000 0.978 347 G CA 0.740 45.881 45.100 0.067 0.000 0.632 347 G HN 0.669 nan 8.290 nan 0.000 0.537 348 Q N -1.352 118.502 119.800 0.091 0.000 2.126 348 Q HA 0.577 4.917 4.340 -0.000 0.000 0.233 348 Q C 0.049 176.090 176.000 0.069 0.000 0.788 348 Q CA 0.116 55.959 55.803 0.068 0.000 0.968 348 Q CB 1.564 30.328 28.738 0.043 0.000 1.163 348 Q HN 0.463 nan 8.270 nan 0.000 0.471 349 V N 1.048 121.026 119.914 0.108 0.000 2.577 349 V HA 0.750 4.870 4.120 -0.000 0.000 0.303 349 V C -0.223 175.936 176.094 0.109 0.000 1.042 349 V CA -0.682 61.685 62.300 0.112 0.000 0.872 349 V CB 1.728 33.654 31.823 0.171 0.000 0.998 349 V HN 0.279 nan 8.190 nan 0.000 0.423 350 G N 2.765 111.619 108.800 0.090 0.000 2.448 350 G HA2 0.711 4.671 3.960 -0.000 0.000 0.324 350 G HA3 0.711 4.671 3.960 -0.000 0.000 0.324 350 G C -1.565 173.385 174.900 0.083 0.000 1.203 350 G CA -0.663 44.491 45.100 0.090 0.000 0.954 350 G HN 0.583 nan 8.290 nan 0.000 0.480 351 V N 1.080 121.046 119.914 0.087 0.000 2.655 351 V HA 0.379 4.499 4.120 -0.000 0.000 0.301 351 V C -0.829 175.316 176.094 0.085 0.000 1.082 351 V CA -0.645 61.700 62.300 0.075 0.000 0.899 351 V CB 1.830 33.715 31.823 0.104 0.000 1.014 351 V HN 0.795 nan 8.190 nan 0.000 0.429 352 Q N 4.310 124.172 119.800 0.104 0.000 2.357 352 Q HA 0.547 4.887 4.340 -0.000 0.000 0.266 352 Q C -0.837 175.245 176.000 0.136 0.000 1.021 352 Q CA -0.391 55.479 55.803 0.112 0.000 0.784 352 Q CB 1.292 30.099 28.738 0.114 0.000 1.243 352 Q HN 0.609 nan 8.270 nan 0.000 0.465 353 I N 3.302 123.946 120.570 0.123 0.000 2.529 353 I HA 0.635 4.805 4.170 -0.000 0.000 0.284 353 I C 0.989 177.196 176.117 0.150 0.000 1.082 353 I CA 0.881 62.253 61.300 0.120 0.000 1.406 353 I CB 0.210 38.272 38.000 0.104 0.000 1.405 353 I HN 0.811 nan 8.210 nan 0.000 0.548 354 G N 5.983 114.844 108.800 0.101 0.000 2.347 354 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.341 354 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.341 354 G C -1.896 172.949 174.900 -0.091 0.000 1.287 354 G CA -0.872 44.235 45.100 0.012 0.000 0.984 354 G HN 0.474 nan 8.290 nan 0.000 0.526 355 Y N 2.047 122.106 120.300 -0.401 0.000 2.402 355 Y HA 0.683 5.233 4.550 -0.000 0.000 0.332 355 Y C -0.041 175.588 175.900 -0.453 0.000 0.960 355 Y CA -0.694 57.244 58.100 -0.271 0.000 1.228 355 Y CB 0.826 39.216 38.460 -0.116 0.000 1.120 355 Y HN 0.549 nan 8.280 nan 0.000 0.491 356 H N 5.915 124.931 119.070 -0.089 0.000 2.887 356 H HA 0.148 4.704 4.556 0.000 0.000 0.300 356 H C 0.404 175.739 175.328 0.011 0.000 1.038 356 H CA -0.544 55.541 56.048 0.061 0.000 1.352 356 H CB 1.507 31.340 29.762 0.117 0.000 1.473 356 H HN 0.750 nan 8.280 nan 0.000 0.503 357 E N 2.733 123.032 120.200 0.164 0.000 2.033 357 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 357 E C 2.029 178.777 176.600 0.248 0.000 1.011 357 E CA 1.499 58.027 56.400 0.214 0.000 0.815 357 E CB 0.020 29.914 29.700 0.322 0.000 0.755 357 E HN 0.743 nan 8.360 nan 0.000 0.451 358 A N 0.422 123.367 122.820 0.208 0.000 1.933 358 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 358 A C 2.059 179.788 177.584 0.242 0.000 1.175 358 A CA 1.149 53.277 52.037 0.151 0.000 0.628 358 A CB -0.715 18.333 19.000 0.080 0.000 0.814 358 A HN 0.265 nan 8.150 nan 0.000 0.444 359 F N 1.901 121.909 119.950 0.096 0.000 2.293 359 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 359 F C 2.689 178.540 175.800 0.085 0.000 1.086 359 F CA 1.248 59.292 58.000 0.073 0.000 1.375 359 F CB -0.345 38.683 39.000 0.047 0.000 1.045 359 F HN 0.348 nan 8.300 nan 0.000 0.516 360 S N -0.875 114.854 115.700 0.047 0.000 2.368 360 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 360 S C 2.082 176.652 174.600 -0.050 0.000 1.030 360 S CA 1.457 59.636 58.200 -0.034 0.000 0.999 360 S CB -1.185 62.061 63.200 0.077 0.000 0.844 360 S HN 0.552 nan 8.310 nan 0.000 0.459 361 H N 1.752 120.772 119.070 -0.083 0.000 2.319 361 H HA -0.014 4.542 4.556 -0.000 0.000 0.297 361 H C 2.576 177.837 175.328 -0.111 0.000 1.097 361 H CA 1.897 57.846 56.048 -0.165 0.000 1.285 361 H CB -0.229 29.367 29.762 -0.277 0.000 1.368 361 H HN 0.432 nan 8.280 nan 0.000 0.495 362 R N 0.246 120.739 120.500 -0.011 0.000 2.127 362 R HA -0.093 4.247 4.340 -0.000 0.000 0.238 362 R C 2.516 178.705 176.300 -0.185 0.000 1.134 362 R CA 1.011 57.073 56.100 -0.063 0.000 0.975 362 R CB -0.086 30.211 30.300 -0.004 0.000 0.865 362 R HN 0.314 nan 8.270 nan 0.000 0.447 363 I N -0.105 120.244 120.570 -0.369 0.000 2.193 363 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 363 I C 2.405 178.444 176.117 -0.130 0.000 1.084 363 I CA 0.909 62.035 61.300 -0.291 0.000 1.365 363 I CB -0.145 37.641 38.000 -0.358 0.000 1.064 363 I HN 0.130 nan 8.210 nan 0.000 0.410 364 M N 1.200 120.717 119.600 -0.139 0.000 2.082 364 M HA -0.165 4.315 4.480 -0.000 0.000 0.258 364 M C 2.061 178.364 176.300 0.004 0.000 1.069 364 M CA 2.176 57.381 55.300 -0.159 0.000 1.102 364 M CB -1.026 31.349 32.600 -0.375 0.000 1.336 364 M HN 0.234 nan 8.290 nan 0.000 0.404 365 G N -1.991 106.879 108.800 0.117 0.000 2.471 365 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.219 365 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.219 365 G C 1.368 176.408 174.900 0.233 0.000 1.125 365 G CA 0.765 46.116 45.100 0.420 0.000 0.775 365 G HN 0.639 nan 8.290 nan 0.000 0.548 366 G N -0.088 108.767 108.800 0.092 0.000 2.724 366 G HA2 0.461 4.421 3.960 -0.000 0.000 0.205 366 G HA3 0.461 4.421 3.960 -0.000 0.000 0.205 366 G C 0.820 175.730 174.900 0.017 0.000 1.112 366 G CA 0.790 45.914 45.100 0.040 0.000 0.793 366 G HN 0.628 nan 8.290 nan 0.000 0.526 367 A N 0.631 123.455 122.820 0.006 0.000 2.332 367 A HA 0.450 4.770 4.320 -0.000 0.000 0.258 367 A C 0.878 178.470 177.584 0.012 0.000 1.087 367 A CA 0.050 52.075 52.037 -0.021 0.000 0.802 367 A CB 0.480 19.456 19.000 -0.040 0.000 1.042 367 A HN 0.164 nan 8.150 nan 0.000 0.489 368 D N -0.522 119.843 120.400 -0.058 0.000 2.240 368 D HA 0.091 4.731 4.640 -0.000 0.000 0.206 368 D C -0.101 176.267 176.300 0.113 0.000 0.963 368 D CA 1.297 55.326 54.000 0.049 0.000 0.863 368 D CB 0.268 40.956 40.800 -0.186 0.000 0.973 368 D HN 0.191 nan 8.370 nan 0.000 0.501 369 V N 1.799 121.649 119.914 -0.106 0.000 2.686 369 V HA 0.304 4.424 4.120 -0.000 0.000 0.306 369 V C -0.387 175.719 176.094 0.019 0.000 1.065 369 V CA -0.809 61.472 62.300 -0.031 0.000 0.894 369 V CB 3.112 34.799 31.823 -0.227 0.000 1.004 369 V HN -0.014 nan 8.190 nan 0.000 0.424 370 I N 5.382 125.984 120.570 0.054 0.000 2.359 370 I HA 0.471 4.641 4.170 -0.000 0.000 0.294 370 I C -0.822 175.339 176.117 0.074 0.000 0.987 370 I CA -0.632 60.688 61.300 0.034 0.000 1.225 370 I CB 1.287 39.272 38.000 -0.025 0.000 1.366 370 I HN 0.543 nan 8.210 nan 0.000 0.466 371 L N 8.009 129.281 121.223 0.081 0.000 2.265 371 L HA 0.350 4.690 4.340 -0.000 0.000 0.288 371 L C -0.520 176.383 176.870 0.056 0.000 1.058 371 L CA -0.463 54.438 54.840 0.102 0.000 0.809 371 L CB 1.321 43.436 42.059 0.093 0.000 1.179 371 L HN 0.349 nan 8.230 nan 0.000 0.429 372 V N 4.944 124.903 119.914 0.075 0.000 2.383 372 V HA 0.229 4.349 4.120 -0.000 0.000 0.261 372 V C -2.078 174.068 176.094 0.087 0.000 0.987 372 V CA -0.690 61.625 62.300 0.025 0.000 0.853 372 V CB 1.164 32.955 31.823 -0.054 0.000 1.095 372 V HN 0.626 nan 8.190 nan 0.000 0.461 373 P HA 0.259 nan 4.420 nan 0.000 0.206 373 P C 0.126 177.539 177.300 0.188 0.000 1.854 373 P CA -0.127 63.159 63.100 0.309 0.000 0.969 373 P CB 0.415 32.347 31.700 0.387 0.000 1.843 374 S N 0.959 116.689 115.700 0.049 0.000 2.549 374 S HA 0.160 4.630 4.470 -0.000 0.000 0.283 374 S C 1.688 176.329 174.600 0.068 0.000 1.320 374 S CA -0.351 57.854 58.200 0.008 0.000 1.058 374 S CB 1.010 64.157 63.200 -0.088 0.000 0.882 374 S HN 0.267 nan 8.310 nan 0.000 0.498 375 R N 0.781 121.355 120.500 0.123 0.000 2.081 375 R HA -0.011 4.329 4.340 -0.000 0.000 0.235 375 R C 0.245 176.799 176.300 0.424 0.000 1.131 375 R CA 1.219 57.468 56.100 0.248 0.000 0.960 375 R CB -0.127 30.353 30.300 0.300 0.000 0.856 375 R HN 0.752 nan 8.270 nan 0.000 0.436 376 F N -2.075 117.977 119.950 0.170 0.000 2.645 376 F HA 0.610 5.137 4.527 0.000 0.000 0.310 376 F C -1.269 174.565 175.800 0.057 0.000 1.102 376 F CA -1.458 56.673 58.000 0.219 0.000 0.952 376 F CB 1.927 41.191 39.000 0.440 0.000 1.326 376 F HN -0.354 nan 8.300 nan 0.000 0.456 377 E N 2.576 122.746 120.200 -0.050 0.000 2.646 377 E HA 0.391 4.741 4.350 -0.000 0.000 0.336 377 E C -2.560 173.812 176.600 -0.380 0.000 1.027 377 E CA -1.912 54.326 56.400 -0.270 0.000 0.765 377 E CB 1.630 31.200 29.700 -0.216 0.000 1.545 377 E HN 0.291 nan 8.360 nan 0.000 0.382 378 P HA -0.163 nan 4.420 nan 0.000 0.216 378 P C 0.666 177.714 177.300 -0.420 0.000 1.153 378 P CA 1.058 63.557 63.100 -1.002 0.000 0.858 378 P CB 0.336 31.567 31.700 -0.782 0.000 0.789 379 C N -4.062 115.061 119.300 -0.296 0.000 2.958 379 C HA 0.647 5.107 4.460 -0.000 0.000 0.402 379 C C 0.396 175.220 174.990 -0.277 0.000 1.718 379 C CA 0.965 59.838 59.018 -0.242 0.000 2.267 379 C CB 0.131 27.755 27.740 -0.194 0.000 2.382 379 C HN 0.425 nan 8.230 nan 0.000 0.598 380 G N 1.817 110.449 108.800 -0.279 0.000 3.110 380 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.506 380 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.506 380 G C -0.090 174.543 174.900 -0.445 0.000 1.077 380 G CA 0.170 45.078 45.100 -0.319 0.000 0.960 380 G HN 0.611 nan 8.290 nan 0.000 0.434 381 L N 1.635 122.534 121.223 -0.539 0.000 2.270 381 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 381 L C 3.166 179.272 176.870 -1.273 0.000 1.104 381 L CA 1.668 55.961 54.840 -0.912 0.000 0.804 381 L CB -0.443 41.062 42.059 -0.924 0.000 0.937 381 L HN 0.820 nan 8.230 nan 0.000 0.450 382 T N -1.863 112.171 114.554 -0.865 0.000 2.803 382 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 382 T C 1.875 176.250 174.700 -0.542 0.000 1.052 382 T CA 1.377 63.030 62.100 -0.745 0.000 1.136 382 T CB -0.268 68.354 68.868 -0.410 0.000 0.864 382 T HN 0.408 nan 8.240 nan 0.000 0.467 383 Q N 1.441 120.975 119.800 -0.443 0.000 2.230 383 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 383 Q C 2.306 178.103 176.000 -0.338 0.000 0.963 383 Q CA 1.083 56.700 55.803 -0.309 0.000 0.866 383 Q CB -0.774 27.819 28.738 -0.241 0.000 0.931 383 Q HN 0.612 nan 8.270 nan 0.000 0.452 384 L N -0.089 120.813 121.223 -0.535 0.000 2.093 384 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 384 L C 2.428 179.185 176.870 -0.189 0.000 1.085 384 L CA 1.219 55.735 54.840 -0.540 0.000 0.755 384 L CB -0.729 40.838 42.059 -0.820 0.000 0.904 384 L HN 0.100 nan 8.230 nan 0.000 0.435 385 Y N 0.301 120.390 120.300 -0.352 0.000 2.242 385 Y HA -0.087 4.463 4.550 0.000 0.000 0.291 385 Y C 2.596 178.463 175.900 -0.054 0.000 1.137 385 Y CA 0.674 58.600 58.100 -0.290 0.000 1.181 385 Y CB -1.576 36.370 38.460 -0.857 0.000 0.989 385 Y HN 0.081 nan 8.280 nan 0.000 0.527 386 G N -0.094 108.712 108.800 0.010 0.000 2.402 386 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 386 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 386 G C 1.816 176.794 174.900 0.128 0.000 1.162 386 G CA 0.653 45.790 45.100 0.062 0.000 0.777 386 G HN 0.335 nan 8.290 nan 0.000 0.539 387 L N 0.254 121.522 121.223 0.074 0.000 1.990 387 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 387 L C 2.791 179.756 176.870 0.158 0.000 1.072 387 L CA 1.958 56.855 54.840 0.094 0.000 0.755 387 L CB -0.306 41.834 42.059 0.136 0.000 0.889 387 L HN 0.269 nan 8.230 nan 0.000 0.432 388 K N -0.580 119.962 120.400 0.237 0.000 2.283 388 K HA -0.174 4.146 4.320 -0.000 0.000 0.202 388 K C 1.523 178.222 176.600 0.165 0.000 1.048 388 K CA 1.364 57.776 56.287 0.209 0.000 0.948 388 K CB -0.164 32.494 32.500 0.264 0.000 0.742 388 K HN 0.284 nan 8.250 nan 0.000 0.458 389 Y N -0.164 120.222 120.300 0.143 0.000 2.468 389 Y HA 0.222 4.771 4.550 -0.001 0.000 0.268 389 Y C 1.026 177.095 175.900 0.283 0.000 1.177 389 Y CA 0.033 58.265 58.100 0.219 0.000 1.265 389 Y CB 0.776 39.382 38.460 0.243 0.000 1.103 389 Y HN 0.253 nan 8.280 nan 0.000 0.522 390 G N 1.864 110.830 108.800 0.278 0.000 2.341 390 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.292 390 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.292 390 G C 0.171 175.194 174.900 0.206 0.000 1.021 390 G CA 0.830 46.047 45.100 0.195 0.000 0.905 390 G HN 0.412 nan 8.290 nan 0.000 0.508 391 T N -0.873 113.802 114.554 0.203 0.000 2.788 391 T HA 0.630 4.979 4.350 -0.000 0.000 0.296 391 T C 0.468 175.222 174.700 0.090 0.000 1.009 391 T CA -0.986 61.217 62.100 0.171 0.000 0.949 391 T CB 0.859 69.824 68.868 0.162 0.000 0.946 391 T HN 0.492 nan 8.240 nan 0.000 0.453 392 L N 6.534 127.797 121.223 0.066 0.000 2.455 392 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 392 L C -1.917 174.975 176.870 0.035 0.000 1.174 392 L CA -1.842 52.968 54.840 -0.049 0.000 0.869 392 L CB 0.320 42.252 42.059 -0.211 0.000 1.130 392 L HN 0.486 nan 8.230 nan 0.000 0.474 393 P HA 0.258 nan 4.420 nan 0.000 0.288 393 P C -1.015 176.371 177.300 0.144 0.000 1.267 393 P CA -0.460 62.662 63.100 0.036 0.000 0.815 393 P CB 1.670 33.343 31.700 -0.044 0.000 0.989 394 L N 4.280 125.631 121.223 0.213 0.000 2.345 394 L HA 0.512 4.851 4.340 -0.000 0.000 0.274 394 L C -0.437 176.594 176.870 0.267 0.000 0.999 394 L CA -0.743 54.291 54.840 0.323 0.000 0.849 394 L CB 0.958 43.212 42.059 0.326 0.000 1.220 394 L HN 0.210 nan 8.230 nan 0.000 0.422 395 V N 1.621 121.676 119.914 0.235 0.000 3.141 395 V HA 0.646 4.766 4.120 -0.000 0.000 0.312 395 V C -0.701 175.308 176.094 -0.141 0.000 1.157 395 V CA -1.084 61.275 62.300 0.098 0.000 1.041 395 V CB 1.955 33.762 31.823 -0.027 0.000 1.071 395 V HN 0.797 nan 8.190 nan 0.000 0.441 396 R N 0.632 120.867 120.500 -0.442 0.000 2.428 396 R HA 0.476 4.816 4.340 -0.000 0.000 0.294 396 R C 0.056 176.120 176.300 -0.393 0.000 1.000 396 R CA -0.792 54.754 56.100 -0.923 0.000 0.960 396 R CB 1.196 30.994 30.300 -0.836 0.000 1.076 396 R HN 0.871 nan 8.270 nan 0.000 0.475 397 R N 2.404 122.712 120.500 -0.320 0.000 2.878 397 R HA 0.038 4.377 4.340 -0.000 0.000 0.239 397 R C -1.001 175.237 176.300 -0.103 0.000 1.515 397 R CA 0.462 56.468 56.100 -0.156 0.000 1.210 397 R CB -0.040 30.201 30.300 -0.099 0.000 1.209 397 R HN 0.483 nan 8.270 nan 0.000 0.610 398 T N 1.171 115.666 114.554 -0.097 0.000 2.894 398 T HA 0.519 4.869 4.350 -0.000 0.000 0.309 398 T C 0.253 174.904 174.700 -0.083 0.000 1.208 398 T CA 0.394 62.463 62.100 -0.051 0.000 1.016 398 T CB 1.312 70.206 68.868 0.044 0.000 1.192 398 T HN 0.731 nan 8.240 nan 0.000 0.491 399 G N 2.494 111.233 108.800 -0.101 0.000 2.602 399 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.306 399 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.306 399 G C 1.336 176.168 174.900 -0.113 0.000 1.301 399 G CA 0.702 45.745 45.100 -0.096 0.000 0.974 399 G HN 1.712 nan 8.290 nan 0.000 0.547 400 G N -0.470 108.240 108.800 -0.151 0.000 2.485 400 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.221 400 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.221 400 G C 1.911 176.710 174.900 -0.168 0.000 1.115 400 G CA 1.547 46.548 45.100 -0.164 0.000 0.751 400 G HN 0.796 nan 8.290 nan 0.000 0.567 401 L N 0.446 121.571 121.223 -0.164 0.000 2.083 401 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 401 L C 3.315 180.113 176.870 -0.120 0.000 1.083 401 L CA 0.994 55.742 54.840 -0.154 0.000 0.752 401 L CB -0.458 41.514 42.059 -0.145 0.000 0.899 401 L HN 0.280 nan 8.230 nan 0.000 0.433 402 A N -0.555 122.202 122.820 -0.105 0.000 2.015 402 A HA -0.180 4.139 4.320 -0.000 0.000 0.219 402 A C 1.875 179.417 177.584 -0.070 0.000 1.163 402 A CA 1.579 53.567 52.037 -0.083 0.000 0.646 402 A CB -0.324 18.630 19.000 -0.077 0.000 0.806 402 A HN 0.312 nan 8.150 nan 0.000 0.448 403 D N -1.101 119.253 120.400 -0.077 0.000 2.323 403 D HA -0.031 4.608 4.640 -0.000 0.000 0.209 403 D C 1.729 178.012 176.300 -0.028 0.000 0.973 403 D CA 1.759 55.726 54.000 -0.055 0.000 0.874 403 D CB 0.210 40.972 40.800 -0.063 0.000 0.930 403 D HN 0.636 nan 8.370 nan 0.000 0.521 404 T N -3.678 110.848 114.554 -0.047 0.000 2.993 404 T HA 0.232 4.582 4.350 -0.000 0.000 0.260 404 T C 0.420 175.120 174.700 0.001 0.000 0.939 404 T CA -0.259 61.847 62.100 0.010 0.000 0.886 404 T CB 0.573 69.360 68.868 -0.135 0.000 1.209 404 T HN -0.218 nan 8.240 nan 0.000 0.518 405 V N 2.075 121.956 119.914 -0.054 0.000 2.513 405 V HA 0.691 4.810 4.120 -0.000 0.000 0.299 405 V C -0.443 175.607 176.094 -0.074 0.000 1.035 405 V CA -0.680 61.578 62.300 -0.069 0.000 0.889 405 V CB 1.789 33.560 31.823 -0.087 0.000 0.988 405 V HN 0.360 nan 8.190 nan 0.000 0.440 406 S N 2.474 118.116 115.700 -0.096 0.000 2.454 406 S HA 0.383 4.853 4.470 -0.000 0.000 0.306 406 S C -0.553 173.972 174.600 -0.126 0.000 1.100 406 S CA -0.517 57.627 58.200 -0.093 0.000 1.087 406 S CB 1.466 64.611 63.200 -0.091 0.000 1.019 406 S HN 0.894 nan 8.310 nan 0.000 0.480 407 D N 0.834 121.187 120.400 -0.079 0.000 2.399 407 D HA 0.059 4.698 4.640 -0.000 0.000 0.241 407 D C -0.102 176.151 176.300 -0.078 0.000 1.133 407 D CA -0.388 53.575 54.000 -0.062 0.000 0.890 407 D CB 0.574 41.384 40.800 0.018 0.000 1.201 407 D HN 0.512 nan 8.370 nan 0.000 0.432 408 C N 3.673 122.921 119.300 -0.088 0.000 3.684 408 C HA 0.193 4.653 4.460 -0.000 0.000 0.584 408 C C 0.626 175.646 174.990 0.050 0.000 1.130 408 C CA -0.359 58.636 59.018 -0.039 0.000 1.194 408 C CB -2.769 24.969 27.740 -0.003 0.000 1.457 408 C HN 0.451 nan 8.230 nan 0.000 0.647 409 S N 0.170 115.891 115.700 0.035 0.000 2.672 409 S HA 0.521 4.991 4.470 -0.000 0.000 0.276 409 S C 1.009 175.639 174.600 0.050 0.000 1.207 409 S CA -0.791 57.440 58.200 0.052 0.000 1.002 409 S CB 0.820 64.044 63.200 0.041 0.000 0.998 409 S HN 0.480 nan 8.310 nan 0.000 0.542 410 L N 0.430 121.684 121.223 0.052 0.000 2.042 410 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 410 L C 2.545 179.440 176.870 0.041 0.000 1.076 410 L CA 1.609 56.478 54.840 0.048 0.000 0.749 410 L CB -1.021 41.063 42.059 0.042 0.000 0.893 410 L HN 0.677 nan 8.230 nan 0.000 0.432 411 E N 0.293 120.513 120.200 0.034 0.000 2.051 411 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 411 E C 1.953 178.571 176.600 0.030 0.000 0.991 411 E CA 1.227 57.643 56.400 0.027 0.000 0.799 411 E CB -0.379 29.332 29.700 0.019 0.000 0.748 411 E HN 0.383 nan 8.360 nan 0.000 0.449 412 N N 0.377 119.092 118.700 0.024 0.000 2.120 412 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 412 N C 1.773 177.311 175.510 0.046 0.000 1.024 412 N CA 0.864 53.921 53.050 0.012 0.000 0.852 412 N CB -0.273 38.204 38.487 -0.017 0.000 1.003 412 N HN 0.149 nan 8.380 nan 0.000 0.424 413 L N 0.433 121.705 121.223 0.082 0.000 2.017 413 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 413 L C 2.387 179.372 176.870 0.192 0.000 1.073 413 L CA 1.373 56.322 54.840 0.182 0.000 0.745 413 L CB -0.576 41.569 42.059 0.143 0.000 0.894 413 L HN 0.124 nan 8.230 nan 0.000 0.432 414 A N -0.357 122.521 122.820 0.096 0.000 1.933 414 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 414 A C 1.752 179.385 177.584 0.081 0.000 1.175 414 A CA 1.921 53.998 52.037 0.067 0.000 0.628 414 A CB -0.482 18.538 19.000 0.035 0.000 0.814 414 A HN 0.374 nan 8.150 nan 0.000 0.444 415 D N -0.822 119.618 120.400 0.066 0.000 2.363 415 D HA 0.229 4.869 4.640 -0.000 0.000 0.226 415 D C 1.296 177.633 176.300 0.062 0.000 1.020 415 D CA 1.004 55.033 54.000 0.049 0.000 0.892 415 D CB -0.330 40.480 40.800 0.018 0.000 0.900 415 D HN 0.589 nan 8.370 nan 0.000 0.531 416 G N 0.566 109.444 108.800 0.130 0.000 2.249 416 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.273 416 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.273 416 G C 0.847 175.678 174.900 -0.116 0.000 1.036 416 G CA 0.422 45.569 45.100 0.077 0.000 0.824 416 G HN 0.377 nan 8.290 nan 0.000 0.504 417 V N -0.409 119.450 119.914 -0.092 0.000 3.604 417 V HA 0.546 4.666 4.120 -0.000 0.000 0.277 417 V C 1.870 177.877 176.094 -0.145 0.000 1.399 417 V CA 0.909 63.138 62.300 -0.118 0.000 1.034 417 V CB 0.334 32.116 31.823 -0.069 0.000 0.824 417 V HN 1.194 nan 8.190 nan 0.000 0.439 418 A N 0.871 123.607 122.820 -0.139 0.000 2.546 418 A HA 0.325 4.645 4.320 -0.000 0.000 0.243 418 A C 1.163 178.594 177.584 -0.255 0.000 1.063 418 A CA 0.988 52.924 52.037 -0.168 0.000 0.757 418 A CB 0.138 19.062 19.000 -0.126 0.000 0.991 418 A HN 0.693 nan 8.150 nan 0.000 0.503 419 S N 1.138 116.680 115.700 -0.265 0.000 2.787 419 S HA 0.564 5.034 4.470 -0.000 0.000 0.255 419 S C 0.698 175.064 174.600 -0.389 0.000 1.051 419 S CA 0.509 58.533 58.200 -0.294 0.000 1.124 419 S CB -0.033 63.052 63.200 -0.191 0.000 1.104 419 S HN 2.085 nan 8.310 nan 0.000 0.623 420 G N 0.630 109.117 108.800 -0.522 0.000 2.435 420 G HA2 0.484 4.444 3.960 -0.000 0.000 0.228 420 G HA3 0.484 4.444 3.960 -0.000 0.000 0.228 420 G C -2.130 172.225 174.900 -0.909 0.000 1.198 420 G CA -0.814 43.823 45.100 -0.772 0.000 0.948 420 G HN 0.217 nan 8.290 nan 0.000 0.487 421 F N 0.034 119.967 119.950 -0.027 0.000 2.547 421 F HA 0.694 5.221 4.527 -0.000 0.000 0.316 421 F C -0.056 175.789 175.800 0.074 0.000 1.121 421 F CA -0.915 57.103 58.000 0.029 0.000 0.911 421 F CB 2.750 41.785 39.000 0.058 0.000 1.179 421 F HN 0.269 nan 8.300 nan 0.000 0.443 422 V N 4.057 124.124 119.914 0.254 0.000 2.656 422 V HA 0.578 4.698 4.120 -0.000 0.000 0.307 422 V C -0.662 175.578 176.094 0.244 0.000 1.051 422 V CA -0.954 61.445 62.300 0.165 0.000 0.893 422 V CB 1.829 33.683 31.823 0.051 0.000 0.999 422 V HN 0.630 nan 8.190 nan 0.000 0.426 423 F N 1.546 121.537 119.950 0.070 0.000 2.620 423 F HA 0.874 5.401 4.527 -0.000 0.000 0.320 423 F C 0.589 176.430 175.800 0.068 0.000 1.069 423 F CA -0.814 57.223 58.000 0.061 0.000 0.953 423 F CB 2.120 41.144 39.000 0.039 0.000 1.322 423 F HN 0.392 nan 8.300 nan 0.000 0.479 424 E N -0.078 120.204 120.200 0.136 0.000 2.228 424 E HA 0.151 4.501 4.350 -0.000 0.000 0.197 424 E C -0.661 175.978 176.600 0.065 0.000 0.909 424 E CA 0.564 56.980 56.400 0.027 0.000 0.911 424 E CB 0.243 30.011 29.700 0.113 0.000 0.887 424 E HN 0.663 nan 8.360 nan 0.000 0.481 425 D N -0.152 120.406 120.400 0.263 0.000 2.181 425 D HA 0.189 4.829 4.640 -0.000 0.000 0.248 425 D C -0.674 175.833 176.300 0.345 0.000 1.020 425 D CA -0.257 53.886 54.000 0.240 0.000 0.891 425 D CB 1.822 42.758 40.800 0.228 0.000 1.187 425 D HN -0.171 nan 8.370 nan 0.000 0.443 426 S N 1.298 117.146 115.700 0.246 0.000 3.988 426 S HA 0.067 4.537 4.470 -0.000 0.000 0.180 426 S C -0.082 174.658 174.600 0.233 0.000 1.242 426 S CA -0.247 58.116 58.200 0.271 0.000 0.947 426 S CB -1.204 62.105 63.200 0.182 0.000 1.519 426 S HN 0.445 nan 8.310 nan 0.000 0.439 427 N N -1.406 117.446 118.700 0.253 0.000 2.591 427 N HA 0.569 5.309 4.740 -0.000 0.000 0.263 427 N C 0.447 176.017 175.510 0.099 0.000 1.308 427 N CA -0.513 52.634 53.050 0.162 0.000 0.837 427 N CB 0.534 39.120 38.487 0.166 0.000 1.548 427 N HN -0.089 nan 8.380 nan 0.000 0.493 428 A N -0.071 122.784 122.820 0.059 0.000 1.997 428 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 428 A C 1.588 179.161 177.584 -0.018 0.000 1.172 428 A CA 1.622 53.651 52.037 -0.012 0.000 0.645 428 A CB -1.164 17.843 19.000 0.011 0.000 0.813 428 A HN 0.838 nan 8.150 nan 0.000 0.454 429 W N 0.099 121.363 121.300 -0.060 0.000 2.441 429 W HA -0.080 4.580 4.660 0.000 0.000 0.302 429 W C 2.730 179.210 176.519 -0.065 0.000 1.191 429 W CA 1.668 58.981 57.345 -0.052 0.000 1.327 429 W CB -0.383 29.066 29.460 -0.019 0.000 1.128 429 W HN 0.253 nan 8.180 nan 0.000 0.522 430 S N 0.465 116.281 115.700 0.192 0.000 2.370 430 S HA -0.262 4.208 4.470 -0.000 0.000 0.226 430 S C 1.952 176.351 174.600 -0.335 0.000 1.033 430 S CA 1.767 60.017 58.200 0.083 0.000 1.011 430 S CB -0.807 62.620 63.200 0.378 0.000 0.852 430 S HN 0.329 nan 8.310 nan 0.000 0.457 431 L N 1.182 122.010 121.223 -0.658 0.000 2.056 431 L HA 0.130 4.470 4.340 -0.000 0.000 0.207 431 L C 2.106 178.613 176.870 -0.606 0.000 1.078 431 L CA 1.626 55.815 54.840 -1.086 0.000 0.749 431 L CB -0.605 40.906 42.059 -0.913 0.000 0.901 431 L HN 0.374 nan 8.230 nan 0.000 0.433 432 L N -0.796 120.134 121.223 -0.488 0.000 2.191 432 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 432 L C 2.646 179.256 176.870 -0.433 0.000 1.103 432 L CA 0.601 55.188 54.840 -0.423 0.000 0.769 432 L CB -0.440 41.379 42.059 -0.399 0.000 0.908 432 L HN 0.233 nan 8.230 nan 0.000 0.438 433 R N -0.242 119.922 120.500 -0.560 0.000 2.075 433 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 433 R C 2.279 178.449 176.300 -0.216 0.000 1.126 433 R CA 1.342 57.179 56.100 -0.438 0.000 0.963 433 R CB -1.173 28.803 30.300 -0.540 0.000 0.858 433 R HN 0.342 nan 8.270 nan 0.000 0.435 434 A N 0.817 123.525 122.820 -0.186 0.000 1.902 434 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 434 A C 2.333 179.805 177.584 -0.187 0.000 1.181 434 A CA 1.251 53.236 52.037 -0.086 0.000 0.623 434 A CB -0.539 18.488 19.000 0.044 0.000 0.818 434 A HN 0.214 nan 8.150 nan 0.000 0.443 435 I N -1.074 119.378 120.570 -0.197 0.000 2.163 435 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 435 I C 2.767 178.914 176.117 0.051 0.000 1.085 435 I CA 1.268 62.499 61.300 -0.115 0.000 1.347 435 I CB -0.256 37.642 38.000 -0.170 0.000 1.044 435 I HN 0.246 nan 8.210 nan 0.000 0.408 436 R N 0.644 121.144 120.500 0.001 0.000 2.096 436 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 436 R C 2.351 178.704 176.300 0.088 0.000 1.127 436 R CA 1.410 57.555 56.100 0.076 0.000 0.968 436 R CB -0.433 29.843 30.300 -0.041 0.000 0.861 436 R HN 0.345 nan 8.270 nan 0.000 0.440 437 R N -0.162 120.327 120.500 -0.018 0.000 2.081 437 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 437 R C 2.078 178.343 176.300 -0.059 0.000 1.131 437 R CA 1.565 57.672 56.100 0.011 0.000 0.960 437 R CB -0.202 30.127 30.300 0.049 0.000 0.856 437 R HN 0.204 nan 8.270 nan 0.000 0.436 438 A N 0.116 122.673 122.820 -0.439 0.000 1.898 438 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 438 A C 1.939 179.526 177.584 0.004 0.000 1.181 438 A CA 1.090 52.794 52.037 -0.555 0.000 0.620 438 A CB -0.692 17.782 19.000 -0.877 0.000 0.819 438 A HN 0.374 nan 8.150 nan 0.000 0.442 439 F N -0.140 119.847 119.950 0.061 0.000 2.161 439 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 439 F C 2.397 178.319 175.800 0.203 0.000 1.089 439 F CA 1.558 59.631 58.000 0.122 0.000 1.282 439 F CB -0.382 38.646 39.000 0.045 0.000 1.010 439 F HN 0.044 nan 8.300 nan 0.000 0.485 440 V N -0.303 119.808 119.914 0.327 0.000 2.307 440 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 440 V C 2.266 178.552 176.094 0.320 0.000 1.045 440 V CA 1.539 64.002 62.300 0.272 0.000 1.024 440 V CB -0.678 31.266 31.823 0.202 0.000 0.651 440 V HN 0.257 nan 8.190 nan 0.000 0.449 441 L N -0.281 121.184 121.223 0.404 0.000 2.079 441 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 441 L C 2.187 179.454 176.870 0.661 0.000 1.081 441 L CA 2.040 57.191 54.840 0.519 0.000 0.752 441 L CB -0.697 41.737 42.059 0.626 0.000 0.896 441 L HN 0.547 nan 8.230 nan 0.000 0.433 442 W N 0.007 121.558 121.300 0.419 0.000 2.350 442 W HA -0.215 4.444 4.660 -0.001 0.000 0.289 442 W C 2.193 178.720 176.519 0.013 0.000 1.215 442 W CA 1.595 58.943 57.345 0.006 0.000 1.236 442 W CB -0.237 29.032 29.460 -0.318 0.000 1.130 442 W HN 0.534 nan 8.180 nan 0.000 0.541 443 S N 0.534 116.367 115.700 0.223 0.000 2.650 443 S HA 0.120 4.590 4.470 -0.000 0.000 0.219 443 S C 0.664 175.288 174.600 0.040 0.000 0.960 443 S CA 0.049 58.299 58.200 0.083 0.000 0.925 443 S CB -0.274 63.014 63.200 0.147 0.000 0.775 443 S HN 0.106 nan 8.310 nan 0.000 0.525 444 R N 1.191 121.741 120.500 0.083 0.000 2.724 444 R HA 0.281 4.621 4.340 -0.000 0.000 0.284 444 R C -2.512 173.825 176.300 0.063 0.000 1.481 444 R CA -1.770 54.371 56.100 0.069 0.000 1.652 444 R CB 0.681 31.048 30.300 0.112 0.000 1.175 444 R HN 0.231 nan 8.270 nan 0.000 0.613 445 P HA -0.181 nan 4.420 nan 0.000 0.216 445 P C 1.195 178.523 177.300 0.047 0.000 1.154 445 P CA 1.407 64.455 63.100 -0.087 0.000 0.865 445 P CB 0.378 31.965 31.700 -0.190 0.000 0.789 446 S N -0.785 114.935 115.700 0.034 0.000 2.359 446 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 446 S C 1.855 176.527 174.600 0.120 0.000 1.035 446 S CA 1.082 59.315 58.200 0.054 0.000 1.018 446 S CB -1.127 62.075 63.200 0.003 0.000 0.876 446 S HN 0.126 nan 8.310 nan 0.000 0.448 447 L N 0.129 121.428 121.223 0.127 0.000 2.056 447 L HA -0.114 4.225 4.340 -0.000 0.000 0.207 447 L C 2.426 179.453 176.870 0.261 0.000 1.078 447 L CA 1.273 56.222 54.840 0.182 0.000 0.749 447 L CB -0.428 41.724 42.059 0.154 0.000 0.901 447 L HN 0.579 nan 8.230 nan 0.000 0.433 448 W N 1.313 122.659 121.300 0.077 0.000 2.335 448 W HA -0.305 4.355 4.660 -0.000 0.000 0.311 448 W C 2.651 179.211 176.519 0.069 0.000 1.213 448 W CA 1.885 59.278 57.345 0.079 0.000 1.274 448 W CB -0.203 29.265 29.460 0.013 0.000 1.148 448 W HN 0.141 nan 8.180 nan 0.000 0.498 449 R N 0.322 121.018 120.500 0.327 0.000 2.092 449 R HA -0.191 4.149 4.340 -0.000 0.000 0.231 449 R C 2.289 178.686 176.300 0.161 0.000 1.119 449 R CA 1.850 58.084 56.100 0.224 0.000 0.970 449 R CB -1.869 28.530 30.300 0.164 0.000 0.864 449 R HN 0.149 nan 8.270 nan 0.000 0.440 450 F N 0.070 120.023 119.950 0.005 0.000 2.095 450 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 450 F C 1.887 177.639 175.800 -0.079 0.000 1.104 450 F CA 1.746 59.728 58.000 -0.030 0.000 1.232 450 F CB -0.584 38.402 39.000 -0.024 0.000 0.987 450 F HN -0.115 nan 8.300 nan 0.000 0.475 451 V N 0.368 120.201 119.914 -0.134 0.000 2.295 451 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 451 V C 2.398 178.286 176.094 -0.342 0.000 1.049 451 V CA 2.199 64.288 62.300 -0.350 0.000 1.024 451 V CB -0.932 30.658 31.823 -0.389 0.000 0.648 451 V HN 0.384 nan 8.190 nan 0.000 0.447 452 Q N -0.353 119.279 119.800 -0.280 0.000 2.096 452 Q HA -0.289 4.051 4.340 -0.000 0.000 0.208 452 Q C 2.532 178.466 176.000 -0.109 0.000 0.993 452 Q CA 2.228 57.942 55.803 -0.148 0.000 0.862 452 Q CB -0.232 28.512 28.738 0.010 0.000 0.915 452 Q HN 0.577 nan 8.270 nan 0.000 0.416 453 R N -0.199 120.232 120.500 -0.115 0.000 2.075 453 R HA -0.177 4.162 4.340 -0.000 0.000 0.232 453 R C 2.334 178.530 176.300 -0.174 0.000 1.126 453 R CA 1.383 57.419 56.100 -0.107 0.000 0.963 453 R CB -0.190 30.066 30.300 -0.075 0.000 0.858 453 R HN 0.179 nan 8.270 nan 0.000 0.435 454 Q N 0.949 120.571 119.800 -0.297 0.000 2.061 454 Q HA -0.125 4.214 4.340 -0.000 0.000 0.204 454 Q C 1.937 177.814 176.000 -0.204 0.000 0.984 454 Q CA 2.121 57.745 55.803 -0.299 0.000 0.846 454 Q CB -0.357 28.121 28.738 -0.433 0.000 0.902 454 Q HN 0.323 nan 8.270 nan 0.000 0.421 455 A N 0.307 123.011 122.820 -0.193 0.000 1.873 455 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 455 A C 2.071 179.620 177.584 -0.058 0.000 1.193 455 A CA 2.097 54.063 52.037 -0.118 0.000 0.629 455 A CB -0.701 18.228 19.000 -0.118 0.000 0.826 455 A HN 0.543 nan 8.150 nan 0.000 0.447 456 M N -0.580 118.989 119.600 -0.051 0.000 2.686 456 M HA 0.036 4.516 4.480 -0.000 0.000 0.246 456 M C 1.870 178.135 176.300 -0.059 0.000 1.096 456 M CA 0.711 55.998 55.300 -0.022 0.000 1.076 456 M CB -0.080 32.520 32.600 0.000 0.000 1.504 456 M HN 0.498 nan 8.290 nan 0.000 0.524 457 A N -0.346 122.415 122.820 -0.098 0.000 2.147 457 A HA 0.217 4.537 4.320 -0.000 0.000 0.211 457 A C 1.110 178.590 177.584 -0.172 0.000 1.160 457 A CA 0.051 52.014 52.037 -0.123 0.000 0.781 457 A CB 0.117 19.038 19.000 -0.132 0.000 0.842 457 A HN 0.249 nan 8.150 nan 0.000 0.475 458 M N 0.937 120.425 119.600 -0.187 0.000 2.252 458 M HA 0.146 4.626 4.480 -0.000 0.000 0.333 458 M C -0.862 175.122 176.300 -0.526 0.000 1.111 458 M CA 0.404 55.492 55.300 -0.354 0.000 1.140 458 M CB 0.001 32.453 32.600 -0.246 0.000 1.538 458 M HN 0.205 nan 8.290 nan 0.000 0.448 459 D N 2.192 122.113 120.400 -0.798 0.000 2.502 459 D HA 0.495 5.135 4.640 -0.000 0.000 0.249 459 D C -1.704 174.026 176.300 -0.950 0.000 1.092 459 D CA -0.223 53.387 54.000 -0.650 0.000 0.839 459 D CB 0.733 41.330 40.800 -0.338 0.000 1.264 459 D HN 0.290 nan 8.370 nan 0.000 0.511 460 F N 2.188 122.071 119.950 -0.112 0.000 2.434 460 F HA 0.319 4.846 4.527 -0.000 0.000 0.367 460 F C 0.371 176.034 175.800 -0.228 0.000 1.093 460 F CA -0.873 57.014 58.000 -0.188 0.000 1.085 460 F CB 1.591 40.459 39.000 -0.220 0.000 1.322 460 F HN 0.121 nan 8.300 nan 0.000 0.452 461 S N 2.230 117.874 115.700 -0.093 0.000 2.451 461 S HA 0.250 4.720 4.470 -0.000 0.000 0.301 461 S C 0.544 175.115 174.600 -0.049 0.000 1.116 461 S CA -0.585 57.586 58.200 -0.049 0.000 1.093 461 S CB 0.715 63.909 63.200 -0.011 0.000 1.017 461 S HN 0.715 nan 8.310 nan 0.000 0.482 462 W N 2.561 123.930 121.300 0.116 0.000 2.402 462 W HA -0.043 4.617 4.660 -0.001 0.000 0.286 462 W C 2.423 179.014 176.519 0.120 0.000 1.221 462 W CA 0.446 57.867 57.345 0.126 0.000 1.257 462 W CB 0.072 29.607 29.460 0.125 0.000 1.120 462 W HN 0.752 nan 8.180 nan 0.000 0.551 463 Q N -0.299 119.688 119.800 0.311 0.000 2.230 463 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 463 Q C 2.049 178.145 176.000 0.161 0.000 0.963 463 Q CA 1.282 57.217 55.803 0.220 0.000 0.866 463 Q CB -0.345 28.488 28.738 0.159 0.000 0.931 463 Q HN 0.220 nan 8.270 nan 0.000 0.452 464 V N 1.024 121.004 119.914 0.111 0.000 2.244 464 V HA -0.264 3.855 4.120 -0.000 0.000 0.244 464 V C 2.364 178.495 176.094 0.061 0.000 1.042 464 V CA 1.796 64.128 62.300 0.052 0.000 1.006 464 V CB -1.115 30.704 31.823 -0.005 0.000 0.641 464 V HN 0.380 nan 8.190 nan 0.000 0.446 465 A N 0.369 123.235 122.820 0.077 0.000 1.915 465 A HA -0.321 3.999 4.320 -0.000 0.000 0.220 465 A C 2.432 180.145 177.584 0.215 0.000 1.198 465 A CA 2.910 55.012 52.037 0.108 0.000 0.647 465 A CB -1.100 18.038 19.000 0.231 0.000 0.825 465 A HN 0.675 nan 8.150 nan 0.000 0.456 466 A N -0.786 122.239 122.820 0.342 0.000 1.948 466 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 466 A C 2.136 179.861 177.584 0.235 0.000 1.177 466 A CA 2.225 54.482 52.037 0.367 0.000 0.636 466 A CB -0.489 18.700 19.000 0.315 0.000 0.815 466 A HN 0.603 nan 8.150 nan 0.000 0.449 467 K N -0.391 120.095 120.400 0.143 0.000 2.057 467 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 467 K C 2.299 178.916 176.600 0.028 0.000 1.049 467 K CA 1.497 57.836 56.287 0.086 0.000 0.931 467 K CB -0.149 32.383 32.500 0.052 0.000 0.714 467 K HN 0.464 nan 8.250 nan 0.000 0.440 468 S N -0.111 115.565 115.700 -0.041 0.000 2.355 468 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 468 S C 1.699 176.190 174.600 -0.182 0.000 1.031 468 S CA 1.181 59.295 58.200 -0.143 0.000 0.993 468 S CB -0.390 62.667 63.200 -0.238 0.000 0.859 468 S HN 0.354 nan 8.310 nan 0.000 0.453 469 Y N 1.409 121.653 120.300 -0.094 0.000 2.207 469 Y HA -0.128 4.422 4.550 -0.000 0.000 0.287 469 Y C 2.692 178.251 175.900 -0.568 0.000 1.156 469 Y CA 1.230 59.119 58.100 -0.351 0.000 1.182 469 Y CB -0.158 38.165 38.460 -0.227 0.000 0.979 469 Y HN 0.115 nan 8.280 nan 0.000 0.521 470 R N 0.713 121.191 120.500 -0.036 0.000 2.081 470 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 470 R C 1.916 178.335 176.300 0.197 0.000 1.131 470 R CA 1.827 58.017 56.100 0.150 0.000 0.960 470 R CB -0.136 30.319 30.300 0.257 0.000 0.856 470 R HN 0.392 nan 8.270 nan 0.000 0.436 471 E N 0.429 120.675 120.200 0.076 0.000 2.058 471 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 471 E C 2.013 178.645 176.600 0.054 0.000 0.997 471 E CA 1.335 57.780 56.400 0.074 0.000 0.801 471 E CB -0.096 29.605 29.700 0.003 0.000 0.746 471 E HN 0.314 nan 8.360 nan 0.000 0.450 472 L N 0.012 121.192 121.223 -0.072 0.000 1.989 472 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 472 L C 2.218 179.100 176.870 0.020 0.000 1.071 472 L CA 1.363 56.130 54.840 -0.122 0.000 0.749 472 L CB -0.258 41.657 42.059 -0.240 0.000 0.890 472 L HN 0.262 nan 8.230 nan 0.000 0.431 473 Y N -1.117 119.205 120.300 0.038 0.000 2.256 473 Y HA -0.283 4.266 4.550 -0.000 0.000 0.288 473 Y C 2.346 178.152 175.900 -0.157 0.000 1.155 473 Y CA 0.996 59.058 58.100 -0.064 0.000 1.203 473 Y CB -1.268 37.144 38.460 -0.081 0.000 0.980 473 Y HN 0.218 nan 8.280 nan 0.000 0.530 474 Y N -0.326 120.072 120.300 0.162 0.000 2.184 474 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 474 Y C 2.743 178.674 175.900 0.052 0.000 1.129 474 Y CA 1.573 59.727 58.100 0.091 0.000 1.144 474 Y CB -0.580 37.922 38.460 0.071 0.000 0.995 474 Y HN -0.051 nan 8.280 nan 0.000 0.513 475 R N 0.947 121.540 120.500 0.156 0.000 2.113 475 R HA -0.224 4.116 4.340 -0.000 0.000 0.244 475 R C 1.775 178.111 176.300 0.060 0.000 1.142 475 R CA 2.350 58.500 56.100 0.083 0.000 0.953 475 R CB -0.803 29.518 30.300 0.036 0.000 0.860 475 R HN 0.388 nan 8.270 nan 0.000 0.438 476 L N 0.335 121.587 121.223 0.047 0.000 2.275 476 L HA 0.040 4.380 4.340 -0.000 0.000 0.215 476 L C 0.870 177.748 176.870 0.013 0.000 1.119 476 L CA 0.745 55.606 54.840 0.034 0.000 0.790 476 L CB -0.631 41.452 42.059 0.040 0.000 0.919 476 L HN 0.280 nan 8.230 nan 0.000 0.443 477 K N 0.000 120.401 120.400 0.001 0.000 2.780 477 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 477 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 477 K CB 0.000 32.516 32.500 0.026 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543