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 3cop_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 LVPSRFAPCG LTQLYGLKYG TLPLVRRTGG DATA SEQUENCE LADTVSDCSL ENLADGVASG FVFEDSNAWS LLRAIRRAFV LWSRPSLWRF DATA SEQUENCE VQRQAMAMDF SWQVAAKSYR ELYYRL 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 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 1 M CB 0.000 32.532 32.600 -0.113 0.000 1.302 2 Q N 2.954 122.682 119.800 -0.120 0.000 2.322 2 Q HA 0.877 5.219 4.340 0.004 0.000 0.265 2 Q C -1.295 174.628 176.000 -0.129 0.000 0.985 2 Q CA -0.906 54.856 55.803 -0.069 0.000 0.849 2 Q CB 2.672 31.181 28.738 -0.382 0.000 1.274 2 Q HN 0.606 nan 8.270 nan 0.000 0.449 3 V N 3.263 123.232 119.914 0.091 0.000 2.656 3 V HA 0.434 4.557 4.120 0.004 0.000 0.307 3 V C -1.178 175.018 176.094 0.172 0.000 1.051 3 V CA -0.850 61.405 62.300 -0.075 0.000 0.893 3 V CB 1.927 33.556 31.823 -0.323 0.000 0.999 3 V HN 0.567 nan 8.190 nan 0.000 0.426 4 L N 4.648 125.924 121.223 0.088 0.000 2.298 4 L HA 0.579 4.921 4.340 0.004 0.000 0.284 4 L C -0.244 176.635 176.870 0.015 0.000 1.013 4 L CA -0.014 54.934 54.840 0.179 0.000 0.824 4 L CB 0.979 43.197 42.059 0.265 0.000 1.221 4 L HN 0.612 nan 8.230 nan 0.000 0.418 5 H N 4.540 123.724 119.070 0.191 0.000 2.646 5 H HA 0.380 4.938 4.556 0.004 0.000 0.325 5 H C -0.788 174.658 175.328 0.196 0.000 1.075 5 H CA -0.252 55.918 56.048 0.203 0.000 1.421 5 H CB 1.553 31.374 29.762 0.098 0.000 1.461 5 H HN 0.354 nan 8.280 nan 0.000 0.525 6 V N 4.619 124.753 119.914 0.366 0.000 2.378 6 V HA 0.310 4.432 4.120 0.004 0.000 0.288 6 V C 0.306 176.596 176.094 0.325 0.000 1.016 6 V CA -0.473 61.996 62.300 0.281 0.000 0.840 6 V CB 0.767 32.737 31.823 0.245 0.000 0.994 6 V HN 1.042 nan 8.190 nan 0.000 0.431 7 C N 2.253 121.682 119.300 0.215 0.000 3.284 7 C HA 0.705 5.167 4.460 0.004 0.000 0.348 7 C C 0.976 176.040 174.990 0.124 0.000 1.448 7 C CA 0.045 59.168 59.018 0.175 0.000 1.223 7 C CB 1.257 29.012 27.740 0.024 0.000 1.588 7 C HN 0.777 nan 8.230 nan 0.000 0.451 8 S N -0.916 114.846 115.700 0.103 0.000 2.578 8 S HA 0.384 4.856 4.470 0.004 0.000 0.228 8 S C -0.111 174.541 174.600 0.087 0.000 1.022 8 S CA -0.137 58.149 58.200 0.143 0.000 0.967 8 S CB -0.241 63.033 63.200 0.123 0.000 0.914 8 S HN 0.897 nan 8.310 nan 0.000 0.515 9 E N 0.561 120.754 120.200 -0.012 0.000 2.408 9 E HA 0.648 5.000 4.350 0.004 0.000 0.275 9 E C -1.504 175.053 176.600 -0.072 0.000 0.935 9 E CA -0.758 55.613 56.400 -0.048 0.000 0.775 9 E CB 2.080 31.742 29.700 -0.063 0.000 1.277 9 E HN 0.243 nan 8.360 nan 0.000 0.455 10 M N 2.541 122.098 119.600 -0.071 0.000 2.298 10 M HA 0.273 4.755 4.480 0.004 0.000 0.255 10 M C -1.929 174.341 176.300 -0.051 0.000 1.021 10 M CA -0.591 54.664 55.300 -0.074 0.000 0.968 10 M CB 1.323 33.846 32.600 -0.128 0.000 2.037 10 M HN 0.652 nan 8.290 nan 0.000 0.478 11 F N 8.015 127.919 119.950 -0.076 0.000 2.518 11 F HA 0.448 4.978 4.527 0.004 0.000 0.359 11 F C -1.622 174.142 175.800 -0.060 0.000 1.118 11 F CA -0.784 57.198 58.000 -0.031 0.000 1.287 11 F CB 0.987 40.024 39.000 0.063 0.000 1.132 11 F HN 0.430 nan 8.300 nan 0.000 0.587 12 P HA 0.009 nan 4.420 nan 0.000 0.262 12 P C 1.094 177.999 177.300 -0.658 0.000 1.304 12 P CA 0.366 62.572 63.100 -1.491 0.000 0.859 12 P CB 0.393 31.319 31.700 -1.291 0.000 1.310 13 L N -0.507 120.407 121.223 -0.515 0.000 2.095 13 L HA 0.166 4.508 4.340 0.004 0.000 0.204 13 L C 1.295 178.018 176.870 -0.245 0.000 1.080 13 L CA 1.382 55.982 54.840 -0.400 0.000 0.759 13 L CB -0.756 41.019 42.059 -0.472 0.000 0.914 13 L HN 0.022 nan 8.230 nan 0.000 0.439 14 L N -0.560 120.548 121.223 -0.191 0.000 2.543 14 L HA 0.395 4.737 4.340 0.004 0.000 0.265 14 L C -1.040 175.775 176.870 -0.092 0.000 0.945 14 L CA -0.499 54.253 54.840 -0.147 0.000 0.869 14 L CB 1.503 43.476 42.059 -0.144 0.000 1.294 14 L HN -0.026 nan 8.230 nan 0.000 0.405 15 K N 1.897 122.247 120.400 -0.084 0.000 2.553 15 K HA 0.422 4.745 4.320 0.004 0.000 0.250 15 K C -0.176 176.338 176.600 -0.143 0.000 0.953 15 K CA 0.066 56.348 56.287 -0.008 0.000 0.800 15 K CB 1.950 34.578 32.500 0.215 0.000 1.243 15 K HN 0.660 nan 8.250 nan 0.000 0.435 16 T N -0.440 114.059 114.554 -0.091 0.000 2.971 16 T HA 0.403 4.756 4.350 0.004 0.000 0.252 16 T C 0.638 175.357 174.700 0.031 0.000 1.022 16 T CA 0.453 62.484 62.100 -0.115 0.000 0.980 16 T CB 0.595 69.452 68.868 -0.018 0.000 1.044 16 T HN 0.609 nan 8.240 nan 0.000 0.501 17 G N -0.375 108.468 108.800 0.073 0.000 2.570 17 G HA2 0.478 4.440 3.960 0.004 0.000 0.310 17 G HA3 0.478 4.440 3.960 0.004 0.000 0.310 17 G C 0.724 175.675 174.900 0.085 0.000 1.266 17 G CA -0.041 45.116 45.100 0.096 0.000 0.825 17 G HN 0.168 nan 8.290 nan 0.000 0.483 18 G N -0.302 108.528 108.800 0.050 0.000 2.450 18 G HA2 -0.018 3.944 3.960 0.004 0.000 0.220 18 G HA3 -0.018 3.944 3.960 0.004 0.000 0.220 18 G C 1.833 176.773 174.900 0.067 0.000 1.130 18 G CA 1.615 46.747 45.100 0.053 0.000 0.760 18 G HN 0.823 nan 8.290 nan 0.000 0.557 19 L N 1.445 122.669 121.223 0.001 0.000 2.043 19 L HA -0.045 4.297 4.340 0.004 0.000 0.212 19 L C 2.980 179.797 176.870 -0.088 0.000 1.075 19 L CA 2.351 57.111 54.840 -0.135 0.000 0.752 19 L CB -0.696 41.204 42.059 -0.265 0.000 0.891 19 L HN 0.230 nan 8.230 nan 0.000 0.432 20 A N -0.802 122.015 122.820 -0.006 0.000 1.902 20 A HA -0.228 4.094 4.320 0.004 0.000 0.217 20 A C 1.994 179.648 177.584 0.116 0.000 1.181 20 A CA 1.832 53.898 52.037 0.047 0.000 0.623 20 A CB -0.926 18.146 19.000 0.121 0.000 0.818 20 A HN 0.553 nan 8.150 nan 0.000 0.443 21 D N -0.182 120.305 120.400 0.146 0.000 2.116 21 D HA -0.133 4.510 4.640 0.004 0.000 0.193 21 D C 2.071 178.444 176.300 0.122 0.000 0.998 21 D CA 1.546 55.641 54.000 0.157 0.000 0.836 21 D CB -0.572 40.351 40.800 0.205 0.000 0.951 21 D HN 0.219 nan 8.370 nan 0.000 0.449 22 V N 1.419 121.390 119.914 0.095 0.000 2.261 22 V HA -0.219 3.903 4.120 0.004 0.000 0.246 22 V C 2.409 178.272 176.094 -0.385 0.000 1.047 22 V CA 1.082 63.343 62.300 -0.065 0.000 1.015 22 V CB -0.308 31.599 31.823 0.140 0.000 0.642 22 V HN 0.182 nan 8.190 nan 0.000 0.446 23 I N 1.200 121.591 120.570 -0.300 0.000 2.454 23 I HA -0.130 4.042 4.170 0.004 0.000 0.254 23 I C 2.481 178.441 176.117 -0.262 0.000 1.156 23 I CA 1.836 62.911 61.300 -0.374 0.000 1.433 23 I CB -1.886 35.922 38.000 -0.320 0.000 1.082 23 I HN 0.417 nan 8.210 nan 0.000 0.432 24 G N -0.150 108.577 108.800 -0.122 0.000 2.598 24 G HA2 0.123 4.085 3.960 0.004 0.000 0.215 24 G HA3 0.123 4.085 3.960 0.004 0.000 0.215 24 G C 1.493 176.359 174.900 -0.057 0.000 1.131 24 G CA 0.847 45.947 45.100 -0.001 0.000 0.785 24 G HN 0.501 nan 8.290 nan 0.000 0.539 25 A N -0.721 121.935 122.820 -0.275 0.000 2.027 25 A HA 0.430 4.752 4.320 0.004 0.000 0.196 25 A C 1.901 179.105 177.584 -0.634 0.000 1.573 25 A CA 0.074 51.884 52.037 -0.378 0.000 1.097 25 A CB -0.194 18.594 19.000 -0.354 0.000 1.196 25 A HN 0.181 nan 8.150 nan 0.000 0.462 26 L N 0.571 121.203 121.223 -0.985 0.000 1.989 26 L HA -0.094 4.248 4.340 0.004 0.000 0.211 26 L C -0.801 175.900 176.870 -0.283 0.000 1.071 26 L CA 2.217 56.594 54.840 -0.772 0.000 0.749 26 L CB -0.910 40.641 42.059 -0.846 0.000 0.890 26 L HN 0.197 nan 8.230 nan 0.000 0.431 27 P HA -0.181 nan 4.420 nan 0.000 0.215 27 P C 1.405 178.722 177.300 0.029 0.000 1.157 27 P CA 1.956 65.028 63.100 -0.046 0.000 0.874 27 P CB -0.101 31.568 31.700 -0.052 0.000 0.790 28 A N -0.114 122.702 122.820 -0.007 0.000 1.933 28 A HA -0.133 4.189 4.320 0.004 0.000 0.218 28 A C 2.324 179.956 177.584 0.079 0.000 1.175 28 A CA 2.133 54.193 52.037 0.039 0.000 0.628 28 A CB -1.612 17.405 19.000 0.028 0.000 0.814 28 A HN 0.203 nan 8.150 nan 0.000 0.444 29 A N -0.765 122.107 122.820 0.086 0.000 1.933 29 A HA -0.199 4.124 4.320 0.004 0.000 0.218 29 A C 2.111 179.805 177.584 0.184 0.000 1.175 29 A CA 1.611 53.748 52.037 0.167 0.000 0.628 29 A CB -0.512 18.649 19.000 0.269 0.000 0.814 29 A HN 0.658 nan 8.150 nan 0.000 0.444 30 Q N -0.727 119.186 119.800 0.188 0.000 2.119 30 Q HA -0.053 4.289 4.340 0.004 0.000 0.201 30 Q C 1.956 178.080 176.000 0.207 0.000 0.972 30 Q CA 1.298 57.243 55.803 0.238 0.000 0.847 30 Q CB -0.267 28.650 28.738 0.297 0.000 0.903 30 Q HN 0.736 nan 8.270 nan 0.000 0.433 31 I N 0.613 121.284 120.570 0.168 0.000 2.226 31 I HA -0.269 3.903 4.170 0.004 0.000 0.245 31 I C 2.355 178.550 176.117 0.130 0.000 1.100 31 I CA 0.998 62.386 61.300 0.147 0.000 1.374 31 I CB -0.289 37.782 38.000 0.119 0.000 1.057 31 I HN 0.147 nan 8.210 nan 0.000 0.413 32 A N -0.074 122.819 122.820 0.122 0.000 1.972 32 A HA -0.279 4.043 4.320 0.004 0.000 0.219 32 A C 1.903 179.556 177.584 0.116 0.000 1.169 32 A CA 2.200 54.301 52.037 0.107 0.000 0.635 32 A CB -0.586 18.475 19.000 0.103 0.000 0.810 32 A HN 0.479 nan 8.150 nan 0.000 0.446 33 D N -2.120 118.365 120.400 0.142 0.000 2.328 33 D HA 0.305 4.947 4.640 0.004 0.000 0.221 33 D C 0.946 177.341 176.300 0.158 0.000 1.072 33 D CA 0.961 55.048 54.000 0.145 0.000 0.850 33 D CB -0.144 40.756 40.800 0.166 0.000 0.922 33 D HN 0.540 nan 8.370 nan 0.000 0.516 34 G N -0.185 108.712 108.800 0.162 0.000 2.141 34 G HA2 -0.171 3.791 3.960 0.004 0.000 0.195 34 G HA3 -0.171 3.791 3.960 0.004 0.000 0.195 34 G C -0.181 174.847 174.900 0.214 0.000 1.012 34 G CA 0.040 45.241 45.100 0.168 0.000 0.696 34 G HN 0.275 nan 8.290 nan 0.000 0.508 35 V N 0.609 120.662 119.914 0.233 0.000 2.487 35 V HA 0.497 4.619 4.120 0.004 0.000 0.298 35 V C -0.263 175.973 176.094 0.236 0.000 1.028 35 V CA -0.743 61.712 62.300 0.257 0.000 0.860 35 V CB 1.931 33.956 31.823 0.337 0.000 0.991 35 V HN 0.309 nan 8.190 nan 0.000 0.427 36 D N 4.441 124.983 120.400 0.235 0.000 2.416 36 D HA 0.405 5.047 4.640 0.004 0.000 0.240 36 D C 0.168 176.666 176.300 0.330 0.000 1.250 36 D CA 0.144 54.311 54.000 0.278 0.000 0.967 36 D CB 0.790 41.798 40.800 0.347 0.000 1.059 36 D HN 0.714 nan 8.370 nan 0.000 0.512 37 A N 4.373 127.350 122.820 0.261 0.000 2.290 37 A HA 0.728 5.050 4.320 0.004 0.000 0.310 37 A C 0.190 177.887 177.584 0.187 0.000 1.202 37 A CA -0.635 51.562 52.037 0.266 0.000 0.837 37 A CB 0.770 19.955 19.000 0.307 0.000 1.139 37 A HN 0.561 nan 8.150 nan 0.000 0.509 38 R N 0.552 121.158 120.500 0.176 0.000 2.888 38 R HA 0.712 5.054 4.340 0.004 0.000 0.266 38 R C -1.394 175.016 176.300 0.184 0.000 1.020 38 R CA -0.561 55.566 56.100 0.045 0.000 0.963 38 R CB 2.451 32.570 30.300 -0.302 0.000 1.197 38 R HN 0.494 nan 8.270 nan 0.000 0.481 39 V N 2.507 122.504 119.914 0.138 0.000 2.604 39 V HA 0.452 4.574 4.120 0.004 0.000 0.305 39 V C -1.165 175.045 176.094 0.192 0.000 1.043 39 V CA -0.857 61.537 62.300 0.156 0.000 0.888 39 V CB 1.762 33.609 31.823 0.039 0.000 0.995 39 V HN 0.476 nan 8.190 nan 0.000 0.429 40 L N 6.280 127.612 121.223 0.182 0.000 2.305 40 L HA 0.766 5.109 4.340 0.004 0.000 0.284 40 L C -1.039 175.860 176.870 0.048 0.000 1.013 40 L CA 0.204 55.132 54.840 0.146 0.000 0.819 40 L CB 1.107 43.233 42.059 0.113 0.000 1.227 40 L HN 0.587 nan 8.230 nan 0.000 0.417 41 L N 5.986 127.189 121.223 -0.034 0.000 2.371 41 L HA 0.681 5.023 4.340 0.004 0.000 0.262 41 L C -2.309 174.344 176.870 -0.362 0.000 1.006 41 L CA -1.895 52.850 54.840 -0.157 0.000 0.818 41 L CB 2.361 44.330 42.059 -0.149 0.000 1.354 41 L HN 0.448 nan 8.230 nan 0.000 0.415 42 P HA 0.056 nan 4.420 nan 0.000 0.269 42 P C -0.661 175.968 177.300 -1.119 0.000 1.209 42 P CA -0.294 61.985 63.100 -1.367 0.000 0.776 42 P CB 0.676 30.857 31.700 -2.533 0.000 0.876 43 A N 3.939 126.311 122.820 -0.747 0.000 3.074 43 A HA 0.208 4.530 4.320 0.004 0.000 0.251 43 A C 0.077 177.474 177.584 -0.312 0.000 1.695 43 A CA -0.403 51.406 52.037 -0.381 0.000 1.343 43 A CB -1.795 17.110 19.000 -0.159 0.000 1.078 43 A HN 0.439 nan 8.150 nan 0.000 0.644 44 F N -0.018 119.802 119.950 -0.217 0.000 2.628 44 F HA 0.063 4.591 4.527 0.003 0.000 0.362 44 F C -0.882 174.845 175.800 -0.123 0.000 1.148 44 F CA -1.341 56.562 58.000 -0.162 0.000 1.352 44 F CB 0.174 39.049 39.000 -0.209 0.000 1.081 44 F HN 0.296 nan 8.300 nan 0.000 0.605 45 P HA -0.222 nan 4.420 nan 0.000 0.215 45 P C 1.060 178.354 177.300 -0.011 0.000 1.163 45 P CA 1.681 64.795 63.100 0.024 0.000 0.894 45 P CB 0.134 31.843 31.700 0.016 0.000 0.791 46 D N -1.082 119.305 120.400 -0.022 0.000 2.178 46 D HA -0.096 4.546 4.640 0.004 0.000 0.201 46 D C 2.012 178.254 176.300 -0.096 0.000 0.980 46 D CA 0.951 54.911 54.000 -0.066 0.000 0.842 46 D CB -0.457 40.287 40.800 -0.092 0.000 0.948 46 D HN 0.230 nan 8.370 nan 0.000 0.472 47 I N 0.528 121.054 120.570 -0.074 0.000 2.233 47 I HA -0.220 3.953 4.170 0.004 0.000 0.243 47 I C 2.541 178.584 176.117 -0.123 0.000 1.093 47 I CA 0.653 61.878 61.300 -0.124 0.000 1.380 47 I CB -0.173 37.767 38.000 -0.100 0.000 1.067 47 I HN -0.095 nan 8.210 nan 0.000 0.413 48 R N 2.250 122.697 120.500 -0.088 0.000 2.091 48 R HA -0.196 4.146 4.340 0.004 0.000 0.238 48 R C 2.386 178.647 176.300 -0.065 0.000 1.136 48 R CA 1.810 57.864 56.100 -0.077 0.000 0.959 48 R CB -0.524 29.742 30.300 -0.057 0.000 0.856 48 R HN 0.439 nan 8.270 nan 0.000 0.437 49 R N -1.132 119.333 120.500 -0.059 0.000 2.189 49 R HA 0.068 4.410 4.340 0.004 0.000 0.218 49 R C 1.993 178.267 176.300 -0.044 0.000 1.074 49 R CA 1.440 57.512 56.100 -0.046 0.000 0.991 49 R CB -0.657 29.620 30.300 -0.039 0.000 0.883 49 R HN 0.308 nan 8.270 nan 0.000 0.457 50 G N 1.101 109.856 108.800 -0.075 0.000 2.464 50 G HA2 -0.004 3.958 3.960 0.004 0.000 0.217 50 G HA3 -0.004 3.958 3.960 0.004 0.000 0.217 50 G C 0.463 175.389 174.900 0.044 0.000 1.138 50 G CA 0.104 45.174 45.100 -0.050 0.000 0.793 50 G HN 0.140 nan 8.290 nan 0.000 0.539 51 V N 2.763 122.662 119.914 -0.025 0.000 2.222 51 V HA 0.155 4.277 4.120 0.004 0.000 0.253 51 V C 1.544 177.619 176.094 -0.030 0.000 1.210 51 V CA 0.615 62.908 62.300 -0.011 0.000 1.079 51 V CB -0.054 31.711 31.823 -0.097 0.000 1.265 51 V HN 0.423 nan 8.190 nan 0.000 0.494 52 T N -1.352 113.198 114.554 -0.007 0.000 3.113 52 T HA -0.063 4.289 4.350 0.004 0.000 0.256 52 T C 0.968 175.648 174.700 -0.033 0.000 1.131 52 T CA 0.710 62.797 62.100 -0.021 0.000 1.074 52 T CB -0.176 68.683 68.868 -0.016 0.000 0.944 52 T HN 0.674 nan 8.240 nan 0.000 0.516 53 D N 1.132 121.506 120.400 -0.042 0.000 2.424 53 D HA 0.335 4.977 4.640 0.004 0.000 0.220 53 D C 0.483 176.743 176.300 -0.068 0.000 1.150 53 D CA -0.551 53.426 54.000 -0.040 0.000 0.831 53 D CB -0.317 40.475 40.800 -0.014 0.000 0.981 53 D HN 0.479 nan 8.370 nan 0.000 0.500 54 A N 0.485 123.253 122.820 -0.088 0.000 2.520 54 A HA 0.283 4.605 4.320 0.004 0.000 0.245 54 A C 0.207 177.767 177.584 -0.040 0.000 1.072 54 A CA 0.095 52.069 52.037 -0.105 0.000 0.761 54 A CB 0.265 19.209 19.000 -0.093 0.000 1.004 54 A HN 0.303 nan 8.150 nan 0.000 0.499 55 Q N 1.095 120.890 119.800 -0.008 0.000 2.399 55 Q HA 0.487 4.829 4.340 0.004 0.000 0.276 55 Q C -0.930 175.116 176.000 0.076 0.000 1.098 55 Q CA -1.082 54.744 55.803 0.039 0.000 0.827 55 Q CB 2.321 31.093 28.738 0.056 0.000 1.386 55 Q HN 0.534 nan 8.270 nan 0.000 0.443 56 V N 2.149 122.105 119.914 0.071 0.000 2.529 56 V HA -0.041 4.082 4.120 0.004 0.000 0.292 56 V C 0.748 176.916 176.094 0.123 0.000 1.028 56 V CA 0.478 62.830 62.300 0.086 0.000 1.074 56 V CB 0.891 32.751 31.823 0.062 0.000 0.958 56 V HN 0.718 nan 8.190 nan 0.000 0.481 57 V N 3.543 123.547 119.914 0.150 0.000 2.690 57 V HA 0.176 4.298 4.120 0.004 0.000 0.240 57 V C 0.727 176.899 176.094 0.131 0.000 1.078 57 V CA 1.364 63.770 62.300 0.177 0.000 1.102 57 V CB 0.838 32.799 31.823 0.231 0.000 0.800 57 V HN 1.004 nan 8.190 nan 0.000 0.479 58 S N -0.516 115.247 115.700 0.105 0.000 2.615 58 S HA 0.661 5.133 4.470 0.004 0.000 0.268 58 S C -1.029 173.613 174.600 0.070 0.000 1.146 58 S CA -0.882 57.363 58.200 0.075 0.000 0.818 58 S CB 2.664 65.899 63.200 0.058 0.000 1.111 58 S HN 0.290 nan 8.310 nan 0.000 0.465 59 R N 0.289 120.824 120.500 0.058 0.000 2.628 59 R HA 0.750 5.092 4.340 0.004 0.000 0.288 59 R C -1.231 175.117 176.300 0.080 0.000 0.980 59 R CA -0.580 55.555 56.100 0.058 0.000 0.891 59 R CB 1.236 31.550 30.300 0.023 0.000 1.188 59 R HN 0.740 nan 8.270 nan 0.000 0.450 60 R N 1.765 122.332 120.500 0.111 0.000 2.740 60 R HA 0.247 4.589 4.340 0.004 0.000 0.273 60 R C -1.426 174.955 176.300 0.134 0.000 0.998 60 R CA -1.044 55.131 56.100 0.125 0.000 0.900 60 R CB 1.778 32.176 30.300 0.164 0.000 1.223 60 R HN 0.671 nan 8.270 nan 0.000 0.466 61 D N 0.558 120.998 120.400 0.066 0.000 2.253 61 D HA 0.453 5.095 4.640 0.004 0.000 0.249 61 D C -0.490 175.585 176.300 -0.375 0.000 1.049 61 D CA 0.321 54.189 54.000 -0.221 0.000 0.929 61 D CB 1.280 41.958 40.800 -0.204 0.000 1.176 61 D HN 0.546 nan 8.370 nan 0.000 0.437 62 T N -0.829 113.379 114.554 -0.577 0.000 2.787 62 T HA 0.283 4.635 4.350 0.004 0.000 0.297 62 T C 1.101 175.383 174.700 -0.696 0.000 1.221 62 T CA -0.774 60.797 62.100 -0.882 0.000 1.006 62 T CB 0.092 68.124 68.868 -1.393 0.000 1.328 62 T HN 0.300 nan 8.240 nan 0.000 0.509 63 F N 0.161 119.815 119.950 -0.493 0.000 2.307 63 F HA 0.333 4.863 4.527 0.004 0.000 0.301 63 F C 1.799 177.465 175.800 -0.223 0.000 1.076 63 F CA 0.590 58.416 58.000 -0.289 0.000 1.383 63 F CB -0.711 38.151 39.000 -0.230 0.000 1.055 63 F HN 0.633 nan 8.300 nan 0.000 0.526 64 A N 0.145 122.545 122.820 -0.700 0.000 2.465 64 A HA 0.652 4.974 4.320 0.004 0.000 0.255 64 A C 1.152 178.612 177.584 -0.208 0.000 1.274 64 A CA 0.269 52.103 52.037 -0.339 0.000 0.920 64 A CB -0.970 17.777 19.000 -0.422 0.000 1.033 64 A HN 1.005 nan 8.150 nan 0.000 0.516 65 G N -0.781 107.818 108.800 -0.335 0.000 2.610 65 G HA2 -0.088 3.874 3.960 0.004 0.000 0.304 65 G HA3 -0.088 3.874 3.960 0.004 0.000 0.304 65 G C -0.638 174.038 174.900 -0.372 0.000 1.309 65 G CA -0.462 44.425 45.100 -0.355 0.000 0.906 65 G HN 0.650 nan 8.290 nan 0.000 0.521 66 H N -0.394 118.599 119.070 -0.127 0.000 2.629 66 H HA 0.589 5.147 4.556 0.003 0.000 0.357 66 H C 1.043 176.353 175.328 -0.030 0.000 1.121 66 H CA 0.626 56.619 56.048 -0.091 0.000 1.406 66 H CB 0.977 30.688 29.762 -0.084 0.000 1.456 66 H HN 0.744 nan 8.280 nan 0.000 0.579 67 I N -1.094 119.527 120.570 0.086 0.000 2.646 67 I HA 0.505 4.677 4.170 0.004 0.000 0.299 67 I C -0.789 175.376 176.117 0.079 0.000 1.036 67 I CA -0.843 60.496 61.300 0.065 0.000 1.074 67 I CB 2.440 40.466 38.000 0.043 0.000 1.258 67 I HN 0.346 nan 8.210 nan 0.000 0.430 68 T N 6.453 121.046 114.554 0.065 0.000 2.743 68 T HA 0.407 4.759 4.350 0.004 0.000 0.292 68 T C -0.344 174.401 174.700 0.074 0.000 0.972 68 T CA -0.292 61.844 62.100 0.061 0.000 0.967 68 T CB 1.045 69.938 68.868 0.042 0.000 0.926 68 T HN 0.491 nan 8.240 nan 0.000 0.459 69 L N 5.724 127.002 121.223 0.092 0.000 2.369 69 L HA 0.424 4.766 4.340 0.004 0.000 0.279 69 L C -0.734 176.226 176.870 0.149 0.000 1.108 69 L CA 0.084 54.998 54.840 0.122 0.000 0.852 69 L CB -0.183 41.949 42.059 0.122 0.000 1.169 69 L HN 0.553 nan 8.230 nan 0.000 0.452 70 L N 5.274 126.585 121.223 0.146 0.000 2.352 70 L HA 0.563 4.905 4.340 0.004 0.000 0.269 70 L C -0.843 176.145 176.870 0.196 0.000 1.034 70 L CA -0.704 54.211 54.840 0.126 0.000 0.806 70 L CB 1.578 43.659 42.059 0.038 0.000 1.244 70 L HN 0.581 nan 8.230 nan 0.000 0.447 71 F N 0.206 120.108 119.950 -0.080 0.000 2.574 71 F HA 0.743 5.272 4.527 0.004 0.000 0.313 71 F C -0.230 175.383 175.800 -0.312 0.000 1.130 71 F CA -0.168 57.655 58.000 -0.295 0.000 0.936 71 F CB 1.849 40.612 39.000 -0.396 0.000 1.219 71 F HN 0.459 nan 8.300 nan 0.000 0.445 72 G N 3.022 111.074 108.800 -1.247 0.000 2.911 72 G HA2 0.578 4.540 3.960 0.004 0.000 0.299 72 G HA3 0.578 4.540 3.960 0.004 0.000 0.299 72 G C -2.142 171.906 174.900 -1.420 0.000 1.283 72 G CA -0.739 43.746 45.100 -1.025 0.000 0.805 72 G HN 0.698 nan 8.290 nan 0.000 0.548 73 H N -1.903 116.877 119.070 -0.484 0.000 2.821 73 H HA 0.664 5.222 4.556 0.003 0.000 0.373 73 H C -1.936 173.310 175.328 -0.137 0.000 1.165 73 H CA -0.481 55.363 56.048 -0.339 0.000 1.154 73 H CB 2.479 32.074 29.762 -0.278 0.000 1.765 73 H HN 0.546 nan 8.280 nan 0.000 0.549 74 Y N 1.382 121.621 120.300 -0.101 0.000 2.361 74 Y HA 0.218 4.770 4.550 0.003 0.000 0.328 74 Y C -0.523 175.336 175.900 -0.067 0.000 1.044 74 Y CA -0.937 57.107 58.100 -0.094 0.000 1.085 74 Y CB 1.001 39.386 38.460 -0.124 0.000 1.194 74 Y HN 0.779 nan 8.280 nan 0.000 0.438 75 N N 3.960 122.387 118.700 -0.455 0.000 2.735 75 N HA -0.204 4.539 4.740 0.004 0.000 0.248 75 N C 0.945 176.395 175.510 -0.100 0.000 1.083 75 N CA 1.802 54.705 53.050 -0.245 0.000 0.703 75 N CB -1.172 37.258 38.487 -0.094 0.000 1.005 75 N HN 1.410 nan 8.380 nan 0.000 0.550 76 G N -2.342 106.399 108.800 -0.098 0.000 2.212 76 G HA2 -0.305 3.657 3.960 0.004 0.000 0.266 76 G HA3 -0.305 3.657 3.960 0.004 0.000 0.266 76 G C 0.172 175.086 174.900 0.023 0.000 0.978 76 G CA 0.880 45.949 45.100 -0.052 0.000 0.632 76 G HN 1.230 nan 8.290 nan 0.000 0.537 77 V N 0.750 120.683 119.914 0.032 0.000 2.539 77 V HA 0.832 4.954 4.120 0.004 0.000 0.292 77 V C 0.893 176.969 176.094 -0.029 0.000 1.045 77 V CA 0.247 62.567 62.300 0.033 0.000 0.945 77 V CB 1.484 33.320 31.823 0.021 0.000 0.993 77 V HN 1.264 nan 8.190 nan 0.000 0.464 78 G N 6.686 115.449 108.800 -0.062 0.000 2.354 78 G HA2 0.484 4.447 3.960 0.004 0.000 0.266 78 G HA3 0.484 4.447 3.960 0.004 0.000 0.266 78 G C -0.496 174.200 174.900 -0.341 0.000 1.242 78 G CA -0.366 44.553 45.100 -0.302 0.000 0.923 78 G HN 0.641 nan 8.290 nan 0.000 0.476 79 I N 2.880 123.067 120.570 -0.637 0.000 2.410 79 I HA 0.259 4.431 4.170 0.004 0.000 0.286 79 I C -0.799 175.082 176.117 -0.394 0.000 1.009 79 I CA -1.424 59.650 61.300 -0.377 0.000 1.111 79 I CB 1.160 38.989 38.000 -0.285 0.000 1.262 79 I HN 0.370 nan 8.210 nan 0.000 0.443 80 Y N 5.960 126.246 120.300 -0.024 0.000 2.310 80 Y HA 0.565 5.117 4.550 0.003 0.000 0.326 80 Y C 0.225 176.092 175.900 -0.055 0.000 1.151 80 Y CA -0.389 57.729 58.100 0.031 0.000 1.195 80 Y CB 1.408 39.907 38.460 0.066 0.000 1.210 80 Y HN 0.326 nan 8.280 nan 0.000 0.483 81 L N 4.618 125.906 121.223 0.107 0.000 2.385 81 L HA 0.508 4.850 4.340 0.004 0.000 0.273 81 L C -0.815 176.053 176.870 -0.003 0.000 0.990 81 L CA -0.793 54.033 54.840 -0.023 0.000 0.821 81 L CB 2.049 44.060 42.059 -0.080 0.000 1.279 81 L HN 0.530 nan 8.230 nan 0.000 0.412 82 I N 1.861 122.385 120.570 -0.078 0.000 2.269 82 I HA 0.099 4.271 4.170 0.004 0.000 0.293 82 I C -0.262 175.870 176.117 0.025 0.000 1.106 82 I CA -0.171 61.127 61.300 -0.003 0.000 1.248 82 I CB 0.514 38.529 38.000 0.024 0.000 1.444 82 I HN 0.514 nan 8.210 nan 0.000 0.497 83 D N 6.542 126.964 120.400 0.036 0.000 2.336 83 D HA 0.462 5.104 4.640 0.004 0.000 0.249 83 D C -0.185 176.144 176.300 0.050 0.000 1.213 83 D CA -0.010 54.013 54.000 0.038 0.000 0.870 83 D CB 0.990 41.801 40.800 0.018 0.000 1.076 83 D HN 0.638 nan 8.370 nan 0.000 0.483 84 A N 5.073 127.912 122.820 0.032 0.000 3.156 84 A HA 0.396 4.718 4.320 0.004 0.000 0.311 84 A C -1.991 175.453 177.584 -0.233 0.000 1.129 84 A CA -0.940 51.024 52.037 -0.122 0.000 0.809 84 A CB 1.029 19.806 19.000 -0.371 0.000 1.257 84 A HN 0.369 nan 8.150 nan 0.000 0.491 85 P HA -0.232 nan 4.420 nan 0.000 0.217 85 P C 1.326 178.570 177.300 -0.092 0.000 1.148 85 P CA 1.730 64.806 63.100 -0.039 0.000 0.828 85 P CB -0.137 31.574 31.700 0.020 0.000 0.783 86 H N -1.352 117.630 119.070 -0.147 0.000 2.524 86 H HA 0.066 4.624 4.556 0.003 0.000 0.282 86 H C 1.499 176.689 175.328 -0.230 0.000 1.016 86 H CA 0.860 56.817 56.048 -0.153 0.000 1.270 86 H CB -0.937 28.747 29.762 -0.129 0.000 1.394 86 H HN 0.205 nan 8.280 nan 0.000 0.568 87 L N -1.040 119.690 121.223 -0.822 0.000 2.445 87 L HA 0.062 4.404 4.340 0.004 0.000 0.207 87 L C 1.404 177.923 176.870 -0.584 0.000 1.053 87 L CA 0.216 54.549 54.840 -0.844 0.000 0.841 87 L CB 0.048 41.298 42.059 -1.348 0.000 1.074 87 L HN 0.048 nan 8.230 nan 0.000 0.479 88 Y N -1.837 118.294 120.300 -0.282 0.000 2.444 88 Y HA 0.166 4.717 4.550 0.003 0.000 0.252 88 Y C 0.706 176.566 175.900 -0.068 0.000 1.091 88 Y CA -1.132 56.859 58.100 -0.181 0.000 1.276 88 Y CB 0.033 38.289 38.460 -0.340 0.000 1.170 88 Y HN -0.045 nan 8.280 nan 0.000 0.517 89 D N 2.578 122.994 120.400 0.027 0.000 2.608 89 D HA 0.114 4.756 4.640 0.004 0.000 0.224 89 D C -0.210 176.096 176.300 0.011 0.000 1.123 89 D CA 0.031 54.049 54.000 0.030 0.000 1.030 89 D CB -0.246 40.559 40.800 0.008 0.000 1.093 89 D HN 0.252 nan 8.370 nan 0.000 0.497 90 R N 1.793 122.311 120.500 0.030 0.000 2.651 90 R HA 0.554 4.896 4.340 0.004 0.000 0.278 90 R C -2.909 173.410 176.300 0.031 0.000 1.010 90 R CA -1.738 54.371 56.100 0.015 0.000 0.896 90 R CB 1.099 31.375 30.300 -0.040 0.000 1.211 90 R HN 0.037 nan 8.270 nan 0.000 0.456 91 P HA 0.303 nan 4.420 nan 0.000 0.276 91 P C 0.471 177.765 177.300 -0.010 0.000 1.244 91 P CA 0.531 63.636 63.100 0.009 0.000 0.801 91 P CB 1.162 32.873 31.700 0.019 0.000 1.006 92 G N 0.706 109.462 108.800 -0.072 0.000 2.503 92 G HA2 -0.202 3.760 3.960 0.004 0.000 0.235 92 G HA3 -0.202 3.760 3.960 0.004 0.000 0.235 92 G C -0.114 174.642 174.900 -0.240 0.000 1.179 92 G CA 0.042 45.076 45.100 -0.111 0.000 0.944 92 G HN 0.785 nan 8.290 nan 0.000 0.580 93 S N 1.779 117.306 115.700 -0.289 0.000 2.564 93 S HA 0.511 4.983 4.470 0.004 0.000 0.278 93 S C -0.520 173.717 174.600 -0.606 0.000 1.333 93 S CA -0.037 57.857 58.200 -0.511 0.000 1.048 93 S CB 1.193 63.885 63.200 -0.848 0.000 0.900 93 S HN 0.424 nan 8.310 nan 0.000 0.505 94 P HA -0.006 nan 4.420 nan 0.000 0.225 94 P C -0.111 176.885 177.300 -0.505 0.000 1.148 94 P CA 1.158 63.508 63.100 -1.250 0.000 0.779 94 P CB -0.031 30.615 31.700 -1.757 0.000 0.780 95 Y N -1.865 118.428 120.300 -0.011 0.000 2.558 95 Y HA 0.177 4.730 4.550 0.004 0.000 0.273 95 Y C 1.601 177.599 175.900 0.163 0.000 1.100 95 Y CA -0.216 58.022 58.100 0.230 0.000 1.276 95 Y CB -0.242 38.314 38.460 0.161 0.000 1.196 95 Y HN 0.106 nan 8.280 nan 0.000 0.527 96 H N -1.216 117.877 119.070 0.039 0.000 2.985 96 H HA 0.413 4.971 4.556 0.003 0.000 0.360 96 H C -1.378 173.560 175.328 -0.651 0.000 1.221 96 H CA -0.975 54.861 56.048 -0.353 0.000 1.121 96 H CB 1.747 31.460 29.762 -0.082 0.000 1.854 96 H HN 0.084 nan 8.280 nan 0.000 0.551 97 D N -0.154 119.921 120.400 -0.542 0.000 2.414 97 D HA -0.007 4.635 4.640 0.004 0.000 0.259 97 D C 1.467 177.838 176.300 0.118 0.000 1.269 97 D CA 0.250 54.146 54.000 -0.174 0.000 1.028 97 D CB 0.221 41.018 40.800 -0.006 0.000 1.093 97 D HN 0.663 nan 8.370 nan 0.000 0.545 98 T N -3.152 111.483 114.554 0.135 0.000 3.007 98 T HA -0.109 4.243 4.350 0.004 0.000 0.270 98 T C 0.853 175.614 174.700 0.102 0.000 1.107 98 T CA 0.482 62.657 62.100 0.125 0.000 1.118 98 T CB -0.451 68.479 68.868 0.103 0.000 0.889 98 T HN 0.305 nan 8.240 nan 0.000 0.506 99 N N 0.995 119.774 118.700 0.132 0.000 2.370 99 N HA 0.205 4.947 4.740 0.004 0.000 0.198 99 N C 0.133 175.588 175.510 -0.091 0.000 1.156 99 N CA -0.011 53.114 53.050 0.124 0.000 0.839 99 N CB 0.228 38.922 38.487 0.345 0.000 0.989 99 N HN 0.183 nan 8.380 nan 0.000 0.468 100 L N -1.395 119.744 121.223 -0.139 0.000 4.560 100 L HA -0.225 4.117 4.340 0.004 0.000 0.415 100 L C -0.640 175.946 176.870 -0.473 0.000 1.123 100 L CA 0.582 55.139 54.840 -0.470 0.000 0.991 100 L CB -2.578 39.169 42.059 -0.521 0.000 2.127 100 L HN 0.051 nan 8.230 nan 0.000 0.765 101 F N 0.409 120.318 119.950 -0.067 0.000 2.408 101 F HA 0.633 5.162 4.527 0.003 0.000 0.344 101 F C 1.338 177.126 175.800 -0.020 0.000 1.112 101 F CA -0.285 57.700 58.000 -0.026 0.000 1.096 101 F CB 0.879 39.879 39.000 -0.000 0.000 1.129 101 F HN 0.113 nan 8.300 nan 0.000 0.486 102 A N 4.061 127.016 122.820 0.225 0.000 2.587 102 A HA 0.017 4.339 4.320 0.004 0.000 0.235 102 A C -0.713 177.001 177.584 0.218 0.000 1.044 102 A CA -0.067 52.109 52.037 0.232 0.000 0.754 102 A CB -0.444 18.710 19.000 0.257 0.000 0.968 102 A HN 0.703 nan 8.150 nan 0.000 0.509 103 Y N 1.266 121.772 120.300 0.344 0.000 2.610 103 Y HA 0.058 4.609 4.550 0.003 0.000 0.332 103 Y C 2.236 178.292 175.900 0.260 0.000 1.201 103 Y CA 0.837 59.099 58.100 0.269 0.000 1.465 103 Y CB 0.614 39.214 38.460 0.234 0.000 1.283 103 Y HN 0.900 nan 8.280 nan 0.000 0.563 104 T N -2.818 111.958 114.554 0.370 0.000 2.915 104 T HA -0.188 4.164 4.350 0.004 0.000 0.269 104 T C 0.795 175.649 174.700 0.256 0.000 1.071 104 T CA 1.295 63.568 62.100 0.287 0.000 1.132 104 T CB -0.220 68.784 68.868 0.227 0.000 0.878 104 T HN 0.730 nan 8.240 nan 0.000 0.479 105 D N 0.276 120.815 120.400 0.232 0.000 2.342 105 D HA 0.115 4.757 4.640 0.004 0.000 0.221 105 D C 1.318 177.702 176.300 0.140 0.000 1.101 105 D CA -0.303 53.775 54.000 0.129 0.000 0.837 105 D CB -0.702 40.132 40.800 0.055 0.000 0.938 105 D HN 0.105 nan 8.370 nan 0.000 0.508 106 N N 0.660 119.552 118.700 0.320 0.000 2.132 106 N HA -0.179 4.564 4.740 0.004 0.000 0.191 106 N C 1.815 177.472 175.510 0.245 0.000 1.015 106 N CA 0.848 54.196 53.050 0.497 0.000 0.864 106 N CB -0.401 38.597 38.487 0.851 0.000 1.006 106 N HN 0.216 nan 8.380 nan 0.000 0.430 107 V N 0.104 119.851 119.914 -0.279 0.000 2.392 107 V HA -0.183 3.939 4.120 0.004 0.000 0.249 107 V C 1.849 177.875 176.094 -0.113 0.000 1.059 107 V CA 1.393 63.169 62.300 -0.874 0.000 1.051 107 V CB -0.193 30.947 31.823 -1.139 0.000 0.658 107 V HN 0.145 nan 8.190 nan 0.000 0.455 108 L N -0.299 120.919 121.223 -0.010 0.000 2.127 108 L HA 0.071 4.413 4.340 0.004 0.000 0.203 108 L C 2.576 179.514 176.870 0.114 0.000 1.080 108 L CA 1.665 56.587 54.840 0.136 0.000 0.768 108 L CB -1.161 40.931 42.059 0.055 0.000 0.924 108 L HN 0.263 nan 8.230 nan 0.000 0.444 109 R N -1.207 119.292 120.500 -0.002 0.000 2.083 109 R HA -0.180 4.162 4.340 0.004 0.000 0.237 109 R C 2.192 178.481 176.300 -0.019 0.000 1.137 109 R CA 1.857 57.875 56.100 -0.137 0.000 0.951 109 R CB -0.468 29.677 30.300 -0.257 0.000 0.851 109 R HN 0.238 nan 8.270 nan 0.000 0.434 110 F N -0.266 119.956 119.950 0.454 0.000 2.387 110 F HA 0.158 4.687 4.527 0.004 0.000 0.294 110 F C 2.488 178.702 175.800 0.690 0.000 1.093 110 F CA 0.367 58.717 58.000 0.584 0.000 1.420 110 F CB -0.241 39.160 39.000 0.668 0.000 1.086 110 F HN 0.030 nan 8.300 nan 0.000 0.531 111 A N 0.471 123.801 122.820 0.849 0.000 1.883 111 A HA -0.220 4.102 4.320 0.004 0.000 0.217 111 A C 2.099 180.094 177.584 0.685 0.000 1.186 111 A CA 1.731 54.158 52.037 0.650 0.000 0.624 111 A CB -1.054 18.262 19.000 0.527 0.000 0.822 111 A HN 0.348 nan 8.150 nan 0.000 0.444 112 L N -0.378 121.154 121.223 0.515 0.000 2.042 112 L HA -0.135 4.207 4.340 0.004 0.000 0.210 112 L C 2.279 179.337 176.870 0.313 0.000 1.076 112 L CA 1.736 56.724 54.840 0.246 0.000 0.749 112 L CB -0.539 41.494 42.059 -0.043 0.000 0.893 112 L HN 0.470 nan 8.230 nan 0.000 0.432 113 L N -0.822 120.602 121.223 0.335 0.000 1.978 113 L HA -0.246 4.096 4.340 0.004 0.000 0.218 113 L C 2.346 179.397 176.870 0.302 0.000 1.075 113 L CA 2.040 57.050 54.840 0.284 0.000 0.767 113 L CB -1.146 41.127 42.059 0.356 0.000 0.890 113 L HN 0.501 nan 8.230 nan 0.000 0.434 114 G N -1.328 107.708 108.800 0.395 0.000 2.440 114 G HA2 -0.359 3.603 3.960 0.004 0.000 0.218 114 G HA3 -0.359 3.603 3.960 0.004 0.000 0.218 114 G C 1.211 176.305 174.900 0.324 0.000 1.154 114 G CA 0.736 46.068 45.100 0.387 0.000 0.767 114 G HN 0.637 nan 8.290 nan 0.000 0.552 115 W N 0.980 122.285 121.300 0.009 0.000 2.355 115 W HA -0.124 4.538 4.660 0.003 0.000 0.309 115 W C 2.500 178.906 176.519 -0.188 0.000 1.206 115 W CA 1.937 59.020 57.345 -0.436 0.000 1.284 115 W CB -0.258 28.909 29.460 -0.488 0.000 1.145 115 W HN 0.039 nan 8.180 nan 0.000 0.502 116 V N 1.074 121.082 119.914 0.157 0.000 2.427 116 V HA -0.198 3.924 4.120 0.004 0.000 0.248 116 V C 2.473 178.477 176.094 -0.150 0.000 1.051 116 V CA 1.937 64.226 62.300 -0.018 0.000 1.048 116 V CB -1.708 30.186 31.823 0.120 0.000 0.666 116 V HN 0.425 nan 8.190 nan 0.000 0.456 117 G N -0.024 108.755 108.800 -0.035 0.000 2.446 117 G HA2 -0.262 3.700 3.960 0.004 0.000 0.217 117 G HA3 -0.262 3.700 3.960 0.004 0.000 0.217 117 G C 1.766 176.609 174.900 -0.096 0.000 1.168 117 G CA 1.198 46.285 45.100 -0.021 0.000 0.771 117 G HN 0.611 nan 8.290 nan 0.000 0.551 118 A N 0.495 123.237 122.820 -0.131 0.000 1.898 118 A HA 0.030 4.352 4.320 0.004 0.000 0.216 118 A C 2.187 179.571 177.584 -0.333 0.000 1.181 118 A CA 2.140 54.070 52.037 -0.178 0.000 0.620 118 A CB -0.392 18.545 19.000 -0.106 0.000 0.819 118 A HN 0.376 nan 8.150 nan 0.000 0.442 119 E N -0.581 119.267 120.200 -0.587 0.000 2.204 119 E HA -0.138 4.214 4.350 0.004 0.000 0.195 119 E C 1.913 178.289 176.600 -0.373 0.000 0.990 119 E CA 1.068 57.078 56.400 -0.649 0.000 0.821 119 E CB -0.255 28.777 29.700 -1.114 0.000 0.750 119 E HN 0.441 nan 8.360 nan 0.000 0.477 120 M N -0.288 119.132 119.600 -0.300 0.000 2.202 120 M HA -0.080 4.402 4.480 0.004 0.000 0.262 120 M C 2.102 178.292 176.300 -0.184 0.000 1.063 120 M CA 1.448 56.615 55.300 -0.221 0.000 1.097 120 M CB -1.017 31.462 32.600 -0.201 0.000 1.382 120 M HN 0.242 nan 8.290 nan 0.000 0.413 121 A N -1.088 121.620 122.820 -0.186 0.000 2.121 121 A HA -0.006 4.316 4.320 0.004 0.000 0.218 121 A C 1.949 179.434 177.584 -0.165 0.000 1.154 121 A CA 1.233 53.166 52.037 -0.172 0.000 0.679 121 A CB -0.346 18.567 19.000 -0.144 0.000 0.795 121 A HN 0.442 nan 8.150 nan 0.000 0.458 122 S N -1.374 114.221 115.700 -0.175 0.000 2.601 122 S HA 0.433 4.905 4.470 0.004 0.000 0.244 122 S C 1.026 175.542 174.600 -0.140 0.000 1.001 122 S CA 0.401 58.512 58.200 -0.149 0.000 0.984 122 S CB 0.261 63.370 63.200 -0.152 0.000 0.842 122 S HN 1.501 nan 8.310 nan 0.000 0.474 123 G N 1.470 110.183 108.800 -0.144 0.000 2.132 123 G HA2 -0.228 3.734 3.960 0.004 0.000 0.234 123 G HA3 -0.228 3.734 3.960 0.004 0.000 0.234 123 G C 0.662 175.489 174.900 -0.121 0.000 0.989 123 G CA 0.247 45.270 45.100 -0.128 0.000 0.676 123 G HN 0.486 nan 8.290 nan 0.000 0.522 124 L N -0.086 121.056 121.223 -0.135 0.000 2.089 124 L HA -0.044 4.298 4.340 0.004 0.000 0.213 124 L C 1.027 177.856 176.870 -0.070 0.000 1.079 124 L CA 2.257 57.031 54.840 -0.110 0.000 0.758 124 L CB -0.032 41.934 42.059 -0.155 0.000 0.891 124 L HN 0.394 nan 8.230 nan 0.000 0.433 125 D N -1.018 119.346 120.400 -0.061 0.000 2.373 125 D HA 0.168 4.810 4.640 0.004 0.000 0.227 125 D C -1.801 174.456 176.300 -0.072 0.000 1.091 125 D CA -2.384 51.623 54.000 0.012 0.000 0.840 125 D CB 1.613 42.494 40.800 0.136 0.000 1.060 125 D HN -0.044 nan 8.370 nan 0.000 0.502 126 P HA -0.012 nan 4.420 nan 0.000 0.225 126 P C 0.466 177.417 177.300 -0.582 0.000 1.148 126 P CA 0.856 63.650 63.100 -0.509 0.000 0.779 126 P CB 0.013 31.225 31.700 -0.814 0.000 0.780 127 F N -4.480 115.501 119.950 0.052 0.000 2.678 127 F HA 0.340 4.869 4.527 0.003 0.000 0.305 127 F C 0.465 176.365 175.800 0.167 0.000 1.090 127 F CA -0.429 57.614 58.000 0.070 0.000 1.272 127 F CB 0.198 39.221 39.000 0.038 0.000 1.060 127 F HN -0.132 nan 8.300 nan 0.000 0.576 128 W N 1.120 122.443 121.300 0.038 0.000 3.953 128 W HA 0.450 5.113 4.660 0.004 0.000 0.286 128 W C -1.485 175.013 176.519 -0.034 0.000 1.256 128 W CA -1.278 56.076 57.345 0.014 0.000 1.244 128 W CB 0.921 30.396 29.460 0.025 0.000 1.262 128 W HN -0.294 nan 8.180 nan 0.000 0.522 129 R N 7.074 127.281 120.500 -0.489 0.000 2.538 129 R HA 0.543 4.885 4.340 0.004 0.000 0.292 129 R C -2.768 172.978 176.300 -0.924 0.000 1.008 129 R CA -1.672 54.138 56.100 -0.483 0.000 0.896 129 R CB 2.644 32.768 30.300 -0.294 0.000 1.187 129 R HN 0.168 nan 8.270 nan 0.000 0.440 130 P HA 0.118 nan 4.420 nan 0.000 0.278 130 P C -0.672 176.372 177.300 -0.427 0.000 1.238 130 P CA -0.183 62.491 63.100 -0.711 0.000 0.794 130 P CB 1.266 32.786 31.700 -0.299 0.000 0.955 131 D N 0.533 120.704 120.400 -0.382 0.000 2.213 131 D HA 0.025 4.667 4.640 0.004 0.000 0.205 131 D C 0.414 176.563 176.300 -0.252 0.000 0.961 131 D CA 1.226 55.057 54.000 -0.281 0.000 0.853 131 D CB 0.366 41.004 40.800 -0.270 0.000 0.967 131 D HN 0.140 nan 8.370 nan 0.000 0.496 132 V N 1.475 121.208 119.914 -0.300 0.000 2.588 132 V HA 0.259 4.381 4.120 0.004 0.000 0.304 132 V C -0.062 175.897 176.094 -0.225 0.000 1.042 132 V CA -0.844 61.280 62.300 -0.293 0.000 0.877 132 V CB 2.793 34.313 31.823 -0.505 0.000 0.996 132 V HN -0.259 nan 8.190 nan 0.000 0.425 133 V N 3.753 123.592 119.914 -0.125 0.000 2.350 133 V HA 0.339 4.461 4.120 0.004 0.000 0.276 133 V C -0.219 175.885 176.094 0.016 0.000 1.028 133 V CA -0.415 61.862 62.300 -0.037 0.000 0.860 133 V CB 0.936 32.761 31.823 0.003 0.000 0.990 133 V HN 0.929 nan 8.190 nan 0.000 0.453 134 H N 4.109 123.123 119.070 -0.093 0.000 2.661 134 H HA 0.684 5.243 4.556 0.004 0.000 0.290 134 H C 0.116 175.435 175.328 -0.016 0.000 1.082 134 H CA -0.463 55.539 56.048 -0.077 0.000 1.234 134 H CB 0.835 30.480 29.762 -0.196 0.000 1.387 134 H HN 0.824 nan 8.280 nan 0.000 0.476 135 A N 5.134 128.091 122.820 0.230 0.000 2.304 135 A HA 0.322 4.644 4.320 0.004 0.000 0.301 135 A C -0.814 176.710 177.584 -0.100 0.000 1.132 135 A CA -0.591 51.582 52.037 0.227 0.000 0.819 135 A CB 0.577 19.829 19.000 0.421 0.000 1.094 135 A HN 0.845 nan 8.150 nan 0.000 0.492 136 H N 1.600 120.763 119.070 0.155 0.000 2.589 136 H HA 0.333 4.891 4.556 0.004 0.000 0.335 136 H C -0.807 174.521 175.328 0.001 0.000 1.019 136 H CA -0.078 55.989 56.048 0.032 0.000 1.213 136 H CB 1.242 31.038 29.762 0.057 0.000 1.472 136 H HN 0.927 nan 8.280 nan 0.000 0.508 137 D N 0.830 121.186 120.400 -0.074 0.000 8.589 137 D HA -0.246 4.396 4.640 0.004 0.000 0.344 137 D C 1.395 177.843 176.300 0.248 0.000 2.817 137 D CA 1.140 55.178 54.000 0.063 0.000 1.929 137 D CB -0.181 40.568 40.800 -0.085 0.000 1.170 137 D HN 0.805 nan 8.370 nan 0.000 1.202 138 W N 0.839 122.163 121.300 0.040 0.000 2.350 138 W HA -0.198 4.464 4.660 0.003 0.000 0.289 138 W C 1.746 178.416 176.519 0.251 0.000 1.215 138 W CA 1.540 58.996 57.345 0.185 0.000 1.236 138 W CB -1.260 28.250 29.460 0.084 0.000 1.130 138 W HN 0.582 nan 8.180 nan 0.000 0.541 139 H N 1.988 120.748 119.070 -0.517 0.000 2.394 139 H HA -0.089 4.469 4.556 0.004 0.000 0.297 139 H C 2.373 177.870 175.328 0.283 0.000 1.113 139 H CA 2.473 58.179 56.048 -0.570 0.000 1.277 139 H CB -0.713 28.674 29.762 -0.624 0.000 1.370 139 H HN 0.251 nan 8.280 nan 0.000 0.506 140 A N 0.762 123.834 122.820 0.419 0.000 2.387 140 A HA 0.311 4.633 4.320 0.004 0.000 0.234 140 A C 2.373 180.240 177.584 0.470 0.000 1.253 140 A CA 0.407 52.715 52.037 0.452 0.000 0.894 140 A CB -0.368 18.877 19.000 0.408 0.000 0.963 140 A HN 0.473 nan 8.150 nan 0.000 0.508 141 G N 0.223 109.331 108.800 0.513 0.000 2.462 141 G HA2 -0.177 3.785 3.960 0.004 0.000 0.220 141 G HA3 -0.177 3.785 3.960 0.004 0.000 0.220 141 G C 1.287 176.229 174.900 0.070 0.000 1.121 141 G CA 0.967 46.245 45.100 0.298 0.000 0.758 141 G HN 0.467 nan 8.290 nan 0.000 0.559 142 L N 0.280 121.498 121.223 -0.009 0.000 2.395 142 L HA 0.100 4.442 4.340 0.004 0.000 0.218 142 L C 3.269 180.191 176.870 0.086 0.000 1.130 142 L CA 0.442 55.197 54.840 -0.141 0.000 0.826 142 L CB -0.369 41.508 42.059 -0.303 0.000 0.941 142 L HN 0.304 nan 8.230 nan 0.000 0.451 143 A N 1.625 124.584 122.820 0.231 0.000 1.884 143 A HA -0.187 4.135 4.320 0.004 0.000 0.219 143 A C -0.125 177.554 177.584 0.157 0.000 1.197 143 A CA 2.016 54.200 52.037 0.244 0.000 0.637 143 A CB -1.872 17.264 19.000 0.227 0.000 0.827 143 A HN 0.287 nan 8.150 nan 0.000 0.450 144 P HA -0.026 nan 4.420 nan 0.000 0.220 144 P C 1.540 178.842 177.300 0.003 0.000 1.148 144 P CA 1.611 64.770 63.100 0.098 0.000 0.803 144 P CB -0.092 31.690 31.700 0.137 0.000 0.782 145 A N -1.392 121.335 122.820 -0.155 0.000 1.897 145 A HA -0.178 4.144 4.320 0.004 0.000 0.215 145 A C 2.019 179.447 177.584 -0.260 0.000 1.181 145 A CA 1.235 52.945 52.037 -0.545 0.000 0.620 145 A CB -1.794 16.825 19.000 -0.635 0.000 0.821 145 A HN 0.136 nan 8.150 nan 0.000 0.443 146 Y N 0.020 120.293 120.300 -0.047 0.000 2.181 146 Y HA -0.141 4.411 4.550 0.004 0.000 0.288 146 Y C 2.257 178.138 175.900 -0.032 0.000 1.146 146 Y CA 1.235 59.322 58.100 -0.021 0.000 1.164 146 Y CB -0.344 38.112 38.460 -0.007 0.000 0.982 146 Y HN 0.172 nan 8.280 nan 0.000 0.515 147 L N -0.649 120.637 121.223 0.106 0.000 2.012 147 L HA -0.295 4.047 4.340 0.004 0.000 0.210 147 L C 2.739 179.646 176.870 0.061 0.000 1.073 147 L CA 1.206 56.078 54.840 0.052 0.000 0.748 147 L CB -0.836 41.246 42.059 0.038 0.000 0.891 147 L HN 0.264 nan 8.230 nan 0.000 0.431 148 A N -0.119 122.741 122.820 0.068 0.000 1.908 148 A HA -0.216 4.106 4.320 0.004 0.000 0.218 148 A C 2.451 180.152 177.584 0.195 0.000 1.181 148 A CA 1.852 53.961 52.037 0.121 0.000 0.627 148 A CB -0.764 18.302 19.000 0.112 0.000 0.818 148 A HN 0.440 nan 8.150 nan 0.000 0.445 149 A N -1.156 121.791 122.820 0.211 0.000 2.067 149 A HA -0.049 4.274 4.320 0.004 0.000 0.219 149 A C 2.075 179.706 177.584 0.077 0.000 1.158 149 A CA 1.793 53.911 52.037 0.135 0.000 0.661 149 A CB -0.281 18.668 19.000 -0.084 0.000 0.801 149 A HN 0.373 nan 8.150 nan 0.000 0.452 150 R N -1.120 119.422 120.500 0.071 0.000 2.334 150 R HA 0.259 4.601 4.340 0.004 0.000 0.216 150 R C 0.992 177.311 176.300 0.031 0.000 0.905 150 R CA 0.769 56.892 56.100 0.038 0.000 1.064 150 R CB -0.347 29.959 30.300 0.010 0.000 1.046 150 R HN 0.725 nan 8.270 nan 0.000 0.508 151 G N 1.052 109.883 108.800 0.052 0.000 2.132 151 G HA2 -0.297 3.665 3.960 0.004 0.000 0.234 151 G HA3 -0.297 3.665 3.960 0.004 0.000 0.234 151 G C -0.386 174.530 174.900 0.026 0.000 0.989 151 G CA -0.085 45.040 45.100 0.042 0.000 0.676 151 G HN 0.372 nan 8.290 nan 0.000 0.522 152 R N -2.142 118.374 120.500 0.027 0.000 3.152 152 R HA -0.175 4.167 4.340 0.004 0.000 0.252 152 R C -1.088 175.202 176.300 -0.017 0.000 0.930 152 R CA 0.720 56.826 56.100 0.011 0.000 0.642 152 R CB -1.514 28.797 30.300 0.019 0.000 1.205 152 R HN 0.492 nan 8.270 nan 0.000 0.452 153 P HA -0.019 nan 4.420 nan 0.000 0.230 153 P C 0.008 177.261 177.300 -0.078 0.000 1.158 153 P CA 1.335 64.401 63.100 -0.057 0.000 0.769 153 P CB 0.514 32.171 31.700 -0.072 0.000 0.807 154 A N -0.869 121.908 122.820 -0.071 0.000 2.587 154 A HA 0.556 4.878 4.320 0.004 0.000 0.293 154 A C -0.428 177.119 177.584 -0.062 0.000 1.087 154 A CA -0.793 51.191 52.037 -0.090 0.000 0.692 154 A CB 1.555 20.483 19.000 -0.119 0.000 1.291 154 A HN -0.220 nan 8.150 nan 0.000 0.407 155 K N 0.630 120.986 120.400 -0.073 0.000 2.107 155 K HA 0.596 4.919 4.320 0.004 0.000 0.251 155 K C -0.077 176.499 176.600 -0.041 0.000 1.012 155 K CA 0.014 56.275 56.287 -0.044 0.000 0.920 155 K CB 1.214 33.688 32.500 -0.043 0.000 1.033 155 K HN 0.889 nan 8.250 nan 0.000 0.478 156 S N -1.070 114.631 115.700 0.001 0.000 2.541 156 S HA 0.453 4.925 4.470 0.004 0.000 0.280 156 S C -0.776 173.852 174.600 0.047 0.000 1.112 156 S CA -0.969 57.243 58.200 0.021 0.000 0.925 156 S CB 1.596 64.835 63.200 0.064 0.000 1.067 156 S HN 0.421 nan 8.310 nan 0.000 0.479 157 V N 2.760 122.674 119.914 0.000 0.000 2.628 157 V HA 0.867 4.989 4.120 0.004 0.000 0.306 157 V C -1.504 174.639 176.094 0.082 0.000 1.045 157 V CA -1.042 61.260 62.300 0.003 0.000 0.905 157 V CB 1.525 33.276 31.823 -0.119 0.000 0.997 157 V HN 0.981 nan 8.190 nan 0.000 0.436 158 F N 4.065 124.036 119.950 0.036 0.000 2.449 158 F HA 0.724 5.254 4.527 0.003 0.000 0.342 158 F C 0.071 175.951 175.800 0.133 0.000 1.127 158 F CA -0.099 57.957 58.000 0.092 0.000 0.975 158 F CB 1.932 40.994 39.000 0.104 0.000 1.146 158 F HN 0.619 nan 8.300 nan 0.000 0.444 159 T N 6.093 120.365 114.554 -0.470 0.000 2.758 159 T HA 0.360 4.713 4.350 0.004 0.000 0.285 159 T C -0.623 173.843 174.700 -0.389 0.000 0.981 159 T CA -0.475 61.494 62.100 -0.218 0.000 0.965 159 T CB 1.199 70.094 68.868 0.044 0.000 0.927 159 T HN 0.327 nan 8.240 nan 0.000 0.448 160 V N 5.625 125.470 119.914 -0.114 0.000 2.405 160 V HA 0.124 4.246 4.120 0.004 0.000 0.264 160 V C 1.210 177.377 176.094 0.121 0.000 1.048 160 V CA -0.132 62.218 62.300 0.084 0.000 0.966 160 V CB 0.123 32.091 31.823 0.241 0.000 1.015 160 V HN 0.956 nan 8.190 nan 0.000 0.477 161 H N 3.153 122.318 119.070 0.159 0.000 2.486 161 H HA 0.202 4.760 4.556 0.004 0.000 0.287 161 H C 0.606 176.049 175.328 0.192 0.000 1.010 161 H CA 0.357 56.502 56.048 0.162 0.000 1.324 161 H CB 0.799 30.632 29.762 0.119 0.000 1.446 161 H HN 0.566 nan 8.280 nan 0.000 0.537 162 N N 0.257 119.212 118.700 0.425 0.000 2.600 162 N HA -0.015 4.727 4.740 0.004 0.000 0.272 162 N C -0.372 175.492 175.510 0.589 0.000 1.095 162 N CA -0.196 53.163 53.050 0.515 0.000 0.993 162 N CB 1.709 40.514 38.487 0.531 0.000 1.603 162 N HN 0.007 nan 8.380 nan 0.000 0.526 163 L N 3.236 124.827 121.223 0.614 0.000 2.492 163 L HA 0.331 4.673 4.340 0.004 0.000 0.223 163 L C 2.082 179.188 176.870 0.393 0.000 1.132 163 L CA 1.068 56.177 54.840 0.448 0.000 0.850 163 L CB -0.071 42.178 42.059 0.315 0.000 0.966 163 L HN 0.760 nan 8.230 nan 0.000 0.454 164 A N -1.534 121.502 122.820 0.361 0.000 2.168 164 A HA -0.076 4.246 4.320 0.004 0.000 0.215 164 A C 0.123 177.499 177.584 -0.347 0.000 1.152 164 A CA 0.518 52.473 52.037 -0.136 0.000 0.716 164 A CB -0.644 18.209 19.000 -0.245 0.000 0.794 164 A HN 0.373 nan 8.150 nan 0.000 0.465 165 Y N -0.072 120.301 120.300 0.122 0.000 2.417 165 Y HA 0.392 4.944 4.550 0.004 0.000 0.336 165 Y C 1.052 176.919 175.900 -0.054 0.000 0.961 165 Y CA -0.444 57.687 58.100 0.052 0.000 1.215 165 Y CB 1.147 39.764 38.460 0.261 0.000 1.120 165 Y HN 0.224 nan 8.280 nan 0.000 0.499 166 Q N 2.414 122.069 119.800 -0.243 0.000 2.317 166 Q HA 0.195 4.537 4.340 0.004 0.000 0.220 166 Q C 1.094 176.811 176.000 -0.471 0.000 0.873 166 Q CA 0.221 55.870 55.803 -0.257 0.000 0.936 166 Q CB 0.974 29.582 28.738 -0.216 0.000 1.105 166 Q HN 1.061 nan 8.270 nan 0.000 0.520 167 G N 2.439 110.522 108.800 -1.195 0.000 2.372 167 G HA2 -0.233 3.729 3.960 0.004 0.000 0.297 167 G HA3 -0.233 3.729 3.960 0.004 0.000 0.297 167 G C -0.135 174.192 174.900 -0.955 0.000 1.005 167 G CA 0.023 44.149 45.100 -1.623 0.000 1.173 167 G HN 0.062 nan 8.290 nan 0.000 0.511 168 M N -0.015 118.976 119.600 -1.013 0.000 2.146 168 M HA 0.637 5.119 4.480 0.004 0.000 0.357 168 M C 0.039 175.724 176.300 -1.026 0.000 1.261 168 M CA -0.275 54.632 55.300 -0.654 0.000 1.106 168 M CB 0.208 32.554 32.600 -0.424 0.000 1.612 168 M HN 0.193 nan 8.290 nan 0.000 0.470 169 F N 1.256 121.104 119.950 -0.170 0.000 2.588 169 F HA 0.457 4.986 4.527 0.003 0.000 0.310 169 F C -0.266 175.522 175.800 -0.020 0.000 1.082 169 F CA -0.985 56.930 58.000 -0.142 0.000 0.929 169 F CB 1.168 40.119 39.000 -0.081 0.000 1.254 169 F HN 0.385 nan 8.300 nan 0.000 0.455 170 Y N 0.847 121.308 120.300 0.268 0.000 2.805 170 Y HA 0.100 4.652 4.550 0.003 0.000 0.337 170 Y C 1.446 177.313 175.900 -0.055 0.000 1.252 170 Y CA 0.039 58.171 58.100 0.054 0.000 1.515 170 Y CB 0.627 39.029 38.460 -0.096 0.000 1.305 170 Y HN 0.816 nan 8.280 nan 0.000 0.600 171 A N 2.401 125.328 122.820 0.178 0.000 1.978 171 A HA -0.282 4.040 4.320 0.004 0.000 0.220 171 A C 1.760 179.244 177.584 -0.168 0.000 1.170 171 A CA 2.053 54.047 52.037 -0.072 0.000 0.636 171 A CB -1.146 17.709 19.000 -0.242 0.000 0.810 171 A HN 1.032 nan 8.150 nan 0.000 0.448 172 H N -2.567 116.490 119.070 -0.021 0.000 2.518 172 H HA -0.074 4.484 4.556 0.003 0.000 0.289 172 H C 1.506 176.792 175.328 -0.070 0.000 1.051 172 H CA 1.463 57.495 56.048 -0.026 0.000 1.280 172 H CB -0.637 29.081 29.762 -0.073 0.000 1.380 172 H HN 0.587 nan 8.280 nan 0.000 0.566 173 H N 0.172 119.097 119.070 -0.242 0.000 2.559 173 H HA -0.008 4.550 4.556 0.004 0.000 0.273 173 H C 1.539 176.758 175.328 -0.181 0.000 1.000 173 H CA 0.835 56.806 56.048 -0.129 0.000 1.195 173 H CB 0.143 29.835 29.762 -0.117 0.000 1.368 173 H HN 0.409 nan 8.280 nan 0.000 0.592 174 M N 0.274 119.713 119.600 -0.268 0.000 2.195 174 M HA -0.190 4.292 4.480 0.004 0.000 0.260 174 M C 1.969 177.967 176.300 -0.504 0.000 1.066 174 M CA 0.814 55.730 55.300 -0.640 0.000 1.089 174 M CB -0.986 30.637 32.600 -1.628 0.000 1.377 174 M HN 0.377 nan 8.290 nan 0.000 0.411 175 N N 0.219 118.817 118.700 -0.169 0.000 2.364 175 N HA -0.158 4.584 4.740 0.004 0.000 0.183 175 N C 0.442 175.966 175.510 0.023 0.000 1.022 175 N CA 0.988 54.076 53.050 0.064 0.000 0.883 175 N CB 0.203 38.820 38.487 0.217 0.000 0.965 175 N HN 0.362 nan 8.380 nan 0.000 0.438 176 D N 0.083 120.486 120.400 0.005 0.000 2.389 176 D HA 0.065 4.708 4.640 0.004 0.000 0.206 176 D C 1.473 177.666 176.300 -0.178 0.000 1.055 176 D CA 0.199 54.214 54.000 0.025 0.000 0.856 176 D CB 0.592 41.489 40.800 0.162 0.000 0.957 176 D HN 0.544 nan 8.370 nan 0.000 0.509 177 I N -2.408 117.941 120.570 -0.369 0.000 4.081 177 I HA 0.257 4.429 4.170 0.004 0.000 0.333 177 I C 0.197 175.854 176.117 -0.766 0.000 1.413 177 I CA -0.176 60.625 61.300 -0.831 0.000 1.110 177 I CB 0.359 38.093 38.000 -0.444 0.000 1.082 177 I HN -0.266 nan 8.210 nan 0.000 0.402 178 Q N 1.617 121.178 119.800 -0.399 0.000 2.478 178 Q HA -0.103 4.239 4.340 0.004 0.000 0.286 178 Q C -1.114 174.842 176.000 -0.073 0.000 1.299 178 Q CA 0.426 56.133 55.803 -0.159 0.000 0.826 178 Q CB -0.939 27.778 28.738 -0.035 0.000 1.199 178 Q HN 0.678 nan 8.270 nan 0.000 0.451 179 L N 0.214 121.294 121.223 -0.237 0.000 2.333 179 L HA 0.625 4.967 4.340 0.004 0.000 0.269 179 L C -1.934 174.684 176.870 -0.419 0.000 1.010 179 L CA -2.349 52.269 54.840 -0.370 0.000 0.818 179 L CB 1.354 43.138 42.059 -0.458 0.000 1.306 179 L HN -0.026 nan 8.230 nan 0.000 0.430 180 P HA -0.092 nan 4.420 nan 0.000 0.262 180 P C -0.160 177.046 177.300 -0.156 0.000 1.182 180 P CA 0.317 63.186 63.100 -0.385 0.000 0.761 180 P CB 0.318 31.643 31.700 -0.626 0.000 0.795 181 W N 2.024 123.299 121.300 -0.041 0.000 2.392 181 W HA -0.174 4.488 4.660 0.004 0.000 0.279 181 W C 2.348 178.968 176.519 0.168 0.000 1.225 181 W CA 1.696 59.078 57.345 0.061 0.000 1.233 181 W CB -0.410 29.072 29.460 0.037 0.000 1.122 181 W HN 0.381 nan 8.180 nan 0.000 0.561 182 S N -1.029 114.904 115.700 0.387 0.000 2.507 182 S HA -0.183 4.289 4.470 0.004 0.000 0.235 182 S C 1.547 176.447 174.600 0.500 0.000 0.988 182 S CA 0.655 59.089 58.200 0.390 0.000 0.944 182 S CB -0.844 62.544 63.200 0.314 0.000 0.762 182 S HN 0.117 nan 8.310 nan 0.000 0.526 183 F N 1.070 121.126 119.950 0.177 0.000 2.407 183 F HA 0.336 4.865 4.527 0.003 0.000 0.299 183 F C 0.860 176.752 175.800 0.153 0.000 1.097 183 F CA -1.093 57.001 58.000 0.157 0.000 1.422 183 F CB -0.820 38.216 39.000 0.060 0.000 1.067 183 F HN 0.296 nan 8.300 nan 0.000 0.539 184 F N 2.462 122.563 119.950 0.250 0.000 2.651 184 F HA 0.206 4.735 4.527 0.003 0.000 0.347 184 F C 0.215 176.110 175.800 0.157 0.000 1.284 184 F CA -0.031 58.073 58.000 0.174 0.000 1.175 184 F CB -0.621 38.495 39.000 0.192 0.000 1.542 184 F HN -0.133 nan 8.300 nan 0.000 0.661 185 N N 4.271 122.864 118.700 -0.178 0.000 2.484 185 N HA 0.117 4.859 4.740 0.004 0.000 0.269 185 N C 0.632 175.970 175.510 -0.287 0.000 1.237 185 N CA -0.517 52.446 53.050 -0.145 0.000 0.838 185 N CB 1.494 39.983 38.487 0.003 0.000 1.593 185 N HN 0.550 nan 8.380 nan 0.000 0.485 186 I N 1.225 121.651 120.570 -0.238 0.000 2.335 186 I HA -0.164 4.008 4.170 0.004 0.000 0.251 186 I C 0.428 176.246 176.117 -0.499 0.000 1.129 186 I CA 1.141 62.252 61.300 -0.314 0.000 1.402 186 I CB -0.004 37.844 38.000 -0.253 0.000 1.069 186 I HN 0.437 nan 8.210 nan 0.000 0.424 187 H N 1.248 120.120 119.070 -0.330 0.000 2.799 187 H HA 0.391 4.949 4.556 0.004 0.000 0.225 187 H C 0.440 175.135 175.328 -1.055 0.000 1.904 187 H CA 0.590 56.319 56.048 -0.530 0.000 1.344 187 H CB -0.395 29.270 29.762 -0.161 0.000 1.744 187 H HN 0.519 nan 8.280 nan 0.000 0.542 188 G N 0.649 108.611 108.800 -1.398 0.000 2.452 188 G HA2 0.015 3.977 3.960 0.004 0.000 0.224 188 G HA3 0.015 3.977 3.960 0.004 0.000 0.224 188 G C -0.300 174.220 174.900 -0.633 0.000 1.208 188 G CA -0.557 43.903 45.100 -1.066 0.000 0.946 188 G HN 0.227 nan 8.290 nan 0.000 0.481 189 L N -0.463 120.652 121.223 -0.180 0.000 2.653 189 L HA 0.512 4.854 4.340 0.004 0.000 0.231 189 L C 0.626 177.447 176.870 -0.081 0.000 1.153 189 L CA -0.280 54.542 54.840 -0.031 0.000 0.933 189 L CB 0.037 42.195 42.059 0.165 0.000 1.175 189 L HN 0.442 nan 8.230 nan 0.000 0.473 190 E N 1.280 121.293 120.200 -0.311 0.000 2.354 190 E HA 0.237 4.589 4.350 0.004 0.000 0.269 190 E C -1.617 174.911 176.600 -0.120 0.000 1.036 190 E CA -0.299 55.808 56.400 -0.489 0.000 0.876 190 E CB 0.970 30.067 29.700 -1.005 0.000 1.009 190 E HN 0.190 nan 8.360 nan 0.000 0.416 191 F N 5.159 124.991 119.950 -0.196 0.000 2.787 191 F HA 0.224 4.753 4.527 0.003 0.000 0.340 191 F C -0.608 175.154 175.800 -0.064 0.000 1.232 191 F CA -0.837 57.091 58.000 -0.118 0.000 1.051 191 F CB 0.596 39.549 39.000 -0.078 0.000 1.330 191 F HN 0.531 nan 8.300 nan 0.000 0.522 192 N N 4.152 122.504 118.700 -0.579 0.000 2.714 192 N HA -0.193 4.549 4.740 0.004 0.000 0.252 192 N C 1.055 176.478 175.510 -0.144 0.000 1.014 192 N CA 1.682 54.474 53.050 -0.431 0.000 0.735 192 N CB -1.189 36.928 38.487 -0.617 0.000 0.924 192 N HN 1.535 nan 8.380 nan 0.000 0.540 193 G N -1.584 107.188 108.800 -0.046 0.000 2.168 193 G HA2 -0.349 3.613 3.960 0.004 0.000 0.263 193 G HA3 -0.349 3.613 3.960 0.004 0.000 0.263 193 G C 0.001 175.097 174.900 0.327 0.000 0.977 193 G CA 0.963 46.154 45.100 0.151 0.000 0.659 193 G HN 0.599 nan 8.290 nan 0.000 0.533 194 Q N -1.150 118.796 119.800 0.244 0.000 2.445 194 Q HA 0.698 5.041 4.340 0.004 0.000 0.281 194 Q C 0.138 176.380 176.000 0.404 0.000 1.101 194 Q CA -1.173 54.839 55.803 0.349 0.000 0.833 194 Q CB 1.724 30.573 28.738 0.184 0.000 1.416 194 Q HN 0.300 nan 8.270 nan 0.000 0.451 195 I N 1.152 122.008 120.570 0.476 0.000 2.471 195 I HA 0.063 4.235 4.170 0.004 0.000 0.286 195 I C 0.052 176.380 176.117 0.351 0.000 1.079 195 I CA 0.314 61.883 61.300 0.448 0.000 1.398 195 I CB 0.945 39.247 38.000 0.503 0.000 1.403 195 I HN 0.302 nan 8.210 nan 0.000 0.530 196 S N 5.817 121.702 115.700 0.309 0.000 2.530 196 S HA 0.372 4.844 4.470 0.004 0.000 0.322 196 S C 0.754 175.586 174.600 0.387 0.000 1.085 196 S CA -0.591 57.756 58.200 0.245 0.000 1.096 196 S CB 0.490 63.741 63.200 0.085 0.000 0.988 196 S HN 0.429 nan 8.310 nan 0.000 0.466 197 F N 3.492 123.562 119.950 0.200 0.000 2.171 197 F HA 0.022 4.551 4.527 0.003 0.000 0.300 197 F C 1.864 177.773 175.800 0.183 0.000 1.090 197 F CA 0.546 58.724 58.000 0.296 0.000 1.293 197 F CB -0.709 38.657 39.000 0.610 0.000 1.013 197 F HN 0.603 nan 8.300 nan 0.000 0.486 198 L N 0.421 121.845 121.223 0.334 0.000 1.994 198 L HA -0.181 4.161 4.340 0.004 0.000 0.208 198 L C 2.455 179.279 176.870 -0.076 0.000 1.071 198 L CA 1.924 56.862 54.840 0.163 0.000 0.745 198 L CB -0.906 41.237 42.059 0.140 0.000 0.892 198 L HN -0.132 nan 8.230 nan 0.000 0.431 199 K N 0.011 120.356 120.400 -0.091 0.000 2.044 199 K HA -0.156 4.166 4.320 0.004 0.000 0.210 199 K C 2.047 178.598 176.600 -0.082 0.000 1.049 199 K CA 1.609 57.815 56.287 -0.135 0.000 0.927 199 K CB -0.664 31.762 32.500 -0.123 0.000 0.713 199 K HN 0.510 nan 8.250 nan 0.000 0.443 200 A N 0.244 123.069 122.820 0.007 0.000 1.908 200 A HA -0.120 4.202 4.320 0.004 0.000 0.218 200 A C 2.449 180.039 177.584 0.010 0.000 1.181 200 A CA 2.316 54.425 52.037 0.119 0.000 0.627 200 A CB -1.118 17.940 19.000 0.096 0.000 0.818 200 A HN 0.457 nan 8.150 nan 0.000 0.445 201 G N -0.238 108.353 108.800 -0.348 0.000 2.404 201 G HA2 -0.140 3.822 3.960 0.004 0.000 0.215 201 G HA3 -0.140 3.822 3.960 0.004 0.000 0.215 201 G C 1.559 176.020 174.900 -0.733 0.000 1.174 201 G CA 1.006 45.563 45.100 -0.904 0.000 0.780 201 G HN 0.436 nan 8.290 nan 0.000 0.537 202 L N -1.141 119.735 121.223 -0.579 0.000 2.042 202 L HA -0.087 4.255 4.340 0.004 0.000 0.210 202 L C 2.604 179.381 176.870 -0.155 0.000 1.076 202 L CA 1.352 56.066 54.840 -0.211 0.000 0.749 202 L CB -0.472 41.518 42.059 -0.114 0.000 0.893 202 L HN 0.306 nan 8.230 nan 0.000 0.432 203 Y N -0.697 119.428 120.300 -0.291 0.000 2.206 203 Y HA -0.222 4.330 4.550 0.003 0.000 0.292 203 Y C 2.158 177.805 175.900 -0.421 0.000 1.123 203 Y CA 1.502 59.358 58.100 -0.407 0.000 1.142 203 Y CB -0.084 37.997 38.460 -0.631 0.000 1.006 203 Y HN 0.008 nan 8.280 nan 0.000 0.518 204 Y N -0.062 120.187 120.300 -0.084 0.000 2.500 204 Y HA 0.357 4.909 4.550 0.004 0.000 0.270 204 Y C 1.377 177.214 175.900 -0.106 0.000 1.134 204 Y CA -0.191 57.842 58.100 -0.111 0.000 1.293 204 Y CB -0.289 38.146 38.460 -0.042 0.000 1.063 204 Y HN 0.061 nan 8.280 nan 0.000 0.534 205 A N 0.640 123.479 122.820 0.032 0.000 2.445 205 A HA -0.002 4.320 4.320 0.004 0.000 0.242 205 A C 0.918 178.513 177.584 0.019 0.000 1.075 205 A CA -0.091 51.985 52.037 0.065 0.000 0.777 205 A CB 0.182 19.260 19.000 0.131 0.000 1.013 205 A HN 0.342 nan 8.150 nan 0.000 0.493 206 D N -0.296 120.137 120.400 0.055 0.000 2.178 206 D HA -0.047 4.595 4.640 0.004 0.000 0.202 206 D C 0.404 176.767 176.300 0.105 0.000 0.974 206 D CA 1.611 55.642 54.000 0.053 0.000 0.841 206 D CB 0.080 40.918 40.800 0.063 0.000 0.953 206 D HN 0.645 nan 8.370 nan 0.000 0.478 207 H N -0.948 118.139 119.070 0.028 0.000 2.996 207 H HA 0.416 4.974 4.556 0.003 0.000 0.368 207 H C -1.231 174.145 175.328 0.081 0.000 1.185 207 H CA -0.546 55.527 56.048 0.041 0.000 1.160 207 H CB 1.537 31.325 29.762 0.044 0.000 1.820 207 H HN -0.198 nan 8.280 nan 0.000 0.547 208 I N 3.209 123.736 120.570 -0.071 0.000 2.433 208 I HA 0.224 4.396 4.170 0.004 0.000 0.292 208 I C 0.350 176.562 176.117 0.158 0.000 1.001 208 I CA -0.594 60.771 61.300 0.108 0.000 1.119 208 I CB 2.063 40.090 38.000 0.045 0.000 1.289 208 I HN 0.547 nan 8.210 nan 0.000 0.438 209 T N 2.511 117.203 114.554 0.230 0.000 2.924 209 T HA 0.900 5.252 4.350 0.004 0.000 0.291 209 T C -0.551 174.238 174.700 0.149 0.000 1.045 209 T CA -0.754 61.475 62.100 0.216 0.000 1.015 209 T CB 2.162 71.215 68.868 0.308 0.000 1.103 209 T HN 0.674 nan 8.240 nan 0.000 0.496 210 A N 1.072 123.965 122.820 0.122 0.000 2.384 210 A HA 0.697 5.019 4.320 0.004 0.000 0.312 210 A C 1.088 178.741 177.584 0.116 0.000 1.113 210 A CA -0.435 51.683 52.037 0.135 0.000 0.779 210 A CB 1.413 20.499 19.000 0.143 0.000 1.307 210 A HN 1.696 nan 8.150 nan 0.000 0.436 211 V N -0.524 119.444 119.914 0.089 0.000 3.592 211 V HA 0.332 4.454 4.120 0.004 0.000 0.272 211 V C 0.422 176.523 176.094 0.012 0.000 1.228 211 V CA 0.970 63.285 62.300 0.026 0.000 1.173 211 V CB -2.012 29.768 31.823 -0.071 0.000 0.873 211 V HN 1.302 nan 8.190 nan 0.000 0.476 212 S N -2.736 112.992 115.700 0.046 0.000 2.547 212 S HA 0.614 5.086 4.470 0.004 0.000 0.270 212 S C -2.532 172.077 174.600 0.015 0.000 1.150 212 S CA -0.828 57.373 58.200 0.002 0.000 0.850 212 S CB 1.673 64.854 63.200 -0.032 0.000 1.118 212 S HN 0.011 nan 8.310 nan 0.000 0.461 213 P HA -0.029 nan 4.420 nan 0.000 0.215 213 P C 1.384 178.656 177.300 -0.047 0.000 1.153 213 P CA 1.584 64.665 63.100 -0.033 0.000 0.853 213 P CB -0.192 31.485 31.700 -0.039 0.000 0.788 214 T N -1.692 112.835 114.554 -0.044 0.000 2.777 214 T HA -0.169 4.184 4.350 0.004 0.000 0.266 214 T C 1.621 176.277 174.700 -0.074 0.000 1.040 214 T CA 1.001 63.058 62.100 -0.071 0.000 1.141 214 T CB -1.051 67.771 68.868 -0.077 0.000 0.868 214 T HN 0.009 nan 8.240 nan 0.000 0.444 215 Y N 2.184 122.380 120.300 -0.173 0.000 2.165 215 Y HA -0.074 4.478 4.550 0.004 0.000 0.286 215 Y C 2.514 178.322 175.900 -0.153 0.000 1.155 215 Y CA 0.639 58.629 58.100 -0.184 0.000 1.164 215 Y CB -0.851 37.547 38.460 -0.103 0.000 0.978 215 Y HN 0.196 nan 8.280 nan 0.000 0.513 216 A N 0.136 122.892 122.820 -0.106 0.000 1.978 216 A HA -0.209 4.113 4.320 0.004 0.000 0.220 216 A C 2.445 179.882 177.584 -0.246 0.000 1.170 216 A CA 1.755 53.688 52.037 -0.173 0.000 0.636 216 A CB -0.702 18.247 19.000 -0.085 0.000 0.810 216 A HN 0.492 nan 8.150 nan 0.000 0.448 217 R N -0.193 120.170 120.500 -0.227 0.000 2.062 217 R HA -0.105 4.237 4.340 0.004 0.000 0.229 217 R C 1.979 178.124 176.300 -0.258 0.000 1.128 217 R CA 1.525 57.479 56.100 -0.242 0.000 0.960 217 R CB -0.297 29.893 30.300 -0.183 0.000 0.855 217 R HN 0.679 nan 8.270 nan 0.000 0.432 218 E N 0.826 120.829 120.200 -0.328 0.000 2.118 218 E HA -0.207 4.145 4.350 0.004 0.000 0.195 218 E C 1.915 178.339 176.600 -0.293 0.000 0.992 218 E CA 1.642 57.797 56.400 -0.408 0.000 0.804 218 E CB -0.316 28.852 29.700 -0.887 0.000 0.741 218 E HN 0.571 nan 8.360 nan 0.000 0.458 219 I N -0.362 119.950 120.570 -0.431 0.000 3.291 219 I HA -0.045 4.127 4.170 0.004 0.000 0.279 219 I C 1.993 177.979 176.117 -0.219 0.000 1.294 219 I CA 1.140 62.221 61.300 -0.366 0.000 1.428 219 I CB -0.471 37.225 38.000 -0.507 0.000 1.070 219 I HN -0.065 nan 8.210 nan 0.000 0.478 220 T N -1.834 112.608 114.554 -0.188 0.000 3.148 220 T HA 0.189 4.541 4.350 0.004 0.000 0.253 220 T C 0.479 175.130 174.700 -0.082 0.000 1.134 220 T CA -0.065 61.960 62.100 -0.125 0.000 1.051 220 T CB -0.414 68.376 68.868 -0.130 0.000 0.959 220 T HN 0.549 nan 8.240 nan 0.000 0.525 221 E N 1.702 121.862 120.200 -0.065 0.000 2.204 221 E HA 0.285 4.637 4.350 0.004 0.000 0.276 221 E C -2.055 174.504 176.600 -0.068 0.000 0.974 221 E CA -2.794 53.594 56.400 -0.020 0.000 0.815 221 E CB 1.879 31.626 29.700 0.078 0.000 1.119 221 E HN -0.026 nan 8.360 nan 0.000 0.393 222 P HA -0.269 nan 4.420 nan 0.000 0.216 222 P C 1.150 178.319 177.300 -0.218 0.000 1.150 222 P CA 1.484 64.513 63.100 -0.118 0.000 0.843 222 P CB 0.142 31.799 31.700 -0.072 0.000 0.787 223 Q N -2.041 117.609 119.800 -0.249 0.000 2.369 223 Q HA -0.045 4.297 4.340 0.004 0.000 0.206 223 Q C 1.092 176.604 176.000 -0.814 0.000 0.963 223 Q CA 1.308 56.844 55.803 -0.445 0.000 0.894 223 Q CB -0.793 27.671 28.738 -0.457 0.000 0.965 223 Q HN 0.239 nan 8.270 nan 0.000 0.475 224 F N -0.492 119.174 119.950 -0.472 0.000 2.724 224 F HA 0.482 5.011 4.527 0.003 0.000 0.306 224 F C 1.843 176.998 175.800 -1.074 0.000 1.100 224 F CA 0.087 57.675 58.000 -0.686 0.000 1.255 224 F CB 0.660 39.462 39.000 -0.329 0.000 1.072 224 F HN 0.178 nan 8.300 nan 0.000 0.589 225 A N -1.488 120.907 122.820 -0.708 0.000 2.252 225 A HA 0.150 4.472 4.320 0.004 0.000 0.213 225 A C 0.270 177.624 177.584 -0.384 0.000 1.188 225 A CA -0.116 51.629 52.037 -0.488 0.000 0.863 225 A CB -0.904 17.957 19.000 -0.231 0.000 0.893 225 A HN 0.449 nan 8.150 nan 0.000 0.495 226 Y N -1.263 118.999 120.300 -0.063 0.000 3.225 226 Y HA -0.261 4.291 4.550 0.004 0.000 0.211 226 Y C 1.522 177.478 175.900 0.094 0.000 1.223 226 Y CA 0.524 58.607 58.100 -0.028 0.000 1.284 226 Y CB -1.922 36.502 38.460 -0.060 0.000 1.367 226 Y HN 0.967 nan 8.280 nan 0.000 0.566 227 G N -2.084 106.809 108.800 0.155 0.000 2.238 227 G HA2 -0.289 3.673 3.960 0.004 0.000 0.217 227 G HA3 -0.289 3.673 3.960 0.004 0.000 0.217 227 G C 0.637 175.675 174.900 0.229 0.000 0.996 227 G CA 0.149 45.398 45.100 0.248 0.000 0.632 227 G HN 0.307 nan 8.290 nan 0.000 0.503 228 M N 1.683 121.322 119.600 0.066 0.000 2.561 228 M HA 0.117 4.599 4.480 0.004 0.000 0.238 228 M C 2.278 178.552 176.300 -0.042 0.000 1.131 228 M CA 1.362 56.637 55.300 -0.041 0.000 1.046 228 M CB -0.357 32.150 32.600 -0.154 0.000 1.532 228 M HN 0.595 nan 8.290 nan 0.000 0.497 229 E N 0.585 120.761 120.200 -0.039 0.000 2.204 229 E HA -0.130 4.222 4.350 0.004 0.000 0.195 229 E C 1.837 178.416 176.600 -0.036 0.000 0.990 229 E CA 1.683 58.050 56.400 -0.056 0.000 0.821 229 E CB -0.891 28.771 29.700 -0.062 0.000 0.750 229 E HN 0.444 nan 8.360 nan 0.000 0.477 230 G N 2.095 110.884 108.800 -0.019 0.000 2.418 230 G HA2 -0.213 3.750 3.960 0.004 0.000 0.217 230 G HA3 -0.213 3.750 3.960 0.004 0.000 0.217 230 G C 1.661 176.548 174.900 -0.020 0.000 1.158 230 G CA 0.786 45.877 45.100 -0.016 0.000 0.771 230 G HN 0.270 nan 8.290 nan 0.000 0.545 231 L N -0.267 120.940 121.223 -0.026 0.000 2.056 231 L HA 0.068 4.410 4.340 0.004 0.000 0.207 231 L C 2.865 179.712 176.870 -0.039 0.000 1.078 231 L CA 0.931 55.754 54.840 -0.028 0.000 0.749 231 L CB -0.150 41.892 42.059 -0.029 0.000 0.901 231 L HN 0.225 nan 8.230 nan 0.000 0.433 232 L N -0.714 120.482 121.223 -0.045 0.000 2.056 232 L HA -0.232 4.110 4.340 0.004 0.000 0.207 232 L C 2.628 179.487 176.870 -0.019 0.000 1.078 232 L CA 1.186 55.996 54.840 -0.050 0.000 0.749 232 L CB -0.405 41.608 42.059 -0.078 0.000 0.901 232 L HN 0.304 nan 8.230 nan 0.000 0.433 233 Q N -0.630 119.164 119.800 -0.011 0.000 2.096 233 Q HA -0.302 4.040 4.340 0.004 0.000 0.204 233 Q C 2.214 178.234 176.000 0.032 0.000 0.982 233 Q CA 1.809 57.630 55.803 0.029 0.000 0.850 233 Q CB -0.171 28.575 28.738 0.013 0.000 0.901 233 Q HN 0.358 nan 8.270 nan 0.000 0.422 234 Q N 0.511 120.311 119.800 -0.000 0.000 2.084 234 Q HA -0.144 4.198 4.340 0.004 0.000 0.202 234 Q C 1.890 177.870 176.000 -0.033 0.000 0.978 234 Q CA 1.407 57.200 55.803 -0.016 0.000 0.844 234 Q CB 0.120 28.849 28.738 -0.015 0.000 0.898 234 Q HN 0.111 nan 8.270 nan 0.000 0.426 235 R N -0.598 119.877 120.500 -0.041 0.000 2.092 235 R HA -0.129 4.213 4.340 0.004 0.000 0.231 235 R C 2.285 178.570 176.300 -0.025 0.000 1.119 235 R CA 1.600 57.660 56.100 -0.067 0.000 0.970 235 R CB -1.042 29.200 30.300 -0.097 0.000 0.864 235 R HN 0.614 nan 8.270 nan 0.000 0.440 236 H N 1.107 120.122 119.070 -0.090 0.000 2.290 236 H HA -0.073 4.485 4.556 0.004 0.000 0.298 236 H C 1.917 177.213 175.328 -0.054 0.000 1.087 236 H CA 1.686 57.690 56.048 -0.073 0.000 1.291 236 H CB 0.240 29.964 29.762 -0.063 0.000 1.369 236 H HN 0.074 nan 8.280 nan 0.000 0.492 237 R N 0.333 120.728 120.500 -0.174 0.000 2.117 237 R HA -0.144 4.198 4.340 0.004 0.000 0.243 237 R C 2.114 178.322 176.300 -0.153 0.000 1.143 237 R CA 1.774 57.745 56.100 -0.214 0.000 0.968 237 R CB -0.130 30.106 30.300 -0.107 0.000 0.863 237 R HN 0.591 nan 8.270 nan 0.000 0.444 238 E N -0.618 119.520 120.200 -0.102 0.000 2.511 238 E HA 0.020 4.372 4.350 0.004 0.000 0.196 238 E C 0.710 177.273 176.600 -0.062 0.000 1.066 238 E CA 0.339 56.694 56.400 -0.076 0.000 0.871 238 E CB 0.336 29.992 29.700 -0.072 0.000 0.863 238 E HN 0.526 nan 8.360 nan 0.000 0.520 239 G N 1.956 110.711 108.800 -0.075 0.000 2.198 239 G HA2 -0.342 3.620 3.960 0.004 0.000 0.257 239 G HA3 -0.342 3.620 3.960 0.004 0.000 0.257 239 G C 0.548 175.457 174.900 0.016 0.000 1.042 239 G CA 0.281 45.373 45.100 -0.014 0.000 0.791 239 G HN 0.259 nan 8.290 nan 0.000 0.502 240 R N -1.261 119.172 120.500 -0.110 0.000 2.613 240 R HA 0.475 4.817 4.340 0.004 0.000 0.361 240 R C 0.000 175.865 176.300 -0.725 0.000 1.072 240 R CA -0.254 55.626 56.100 -0.368 0.000 1.089 240 R CB 0.657 30.833 30.300 -0.206 0.000 1.343 240 R HN 0.351 nan 8.270 nan 0.000 0.571 241 L N 0.428 121.424 121.223 -0.377 0.000 2.438 241 L HA 0.541 4.884 4.340 0.004 0.000 0.270 241 L C -0.881 175.993 176.870 0.006 0.000 0.972 241 L CA -0.268 54.442 54.840 -0.216 0.000 0.831 241 L CB 2.038 44.050 42.059 -0.078 0.000 1.273 241 L HN 0.099 nan 8.230 nan 0.000 0.405 242 S N 2.211 117.976 115.700 0.109 0.000 2.625 242 S HA 0.955 5.427 4.470 0.004 0.000 0.271 242 S C -0.536 174.112 174.600 0.080 0.000 1.161 242 S CA -0.333 57.947 58.200 0.134 0.000 0.820 242 S CB 1.301 64.631 63.200 0.217 0.000 1.137 242 S HN 0.996 nan 8.310 nan 0.000 0.470 243 G N -0.092 108.725 108.800 0.029 0.000 2.415 243 G HA2 0.627 4.589 3.960 0.004 0.000 0.327 243 G HA3 0.627 4.589 3.960 0.004 0.000 0.327 243 G C -1.433 173.446 174.900 -0.036 0.000 1.182 243 G CA -0.849 44.257 45.100 0.008 0.000 0.924 243 G HN 0.949 nan 8.290 nan 0.000 0.470 244 V N 3.306 123.191 119.914 -0.049 0.000 2.482 244 V HA 0.286 4.408 4.120 0.004 0.000 0.295 244 V C -0.270 175.785 176.094 -0.065 0.000 1.026 244 V CA -0.835 61.376 62.300 -0.148 0.000 0.856 244 V CB 1.477 33.026 31.823 -0.457 0.000 1.001 244 V HN 0.723 nan 8.190 nan 0.000 0.424 245 L N 5.009 126.184 121.223 -0.081 0.000 2.453 245 L HA 0.281 4.623 4.340 0.004 0.000 0.272 245 L C 0.712 177.494 176.870 -0.145 0.000 1.182 245 L CA 0.765 55.551 54.840 -0.089 0.000 0.858 245 L CB 0.178 42.192 42.059 -0.074 0.000 1.120 245 L HN 0.693 nan 8.230 nan 0.000 0.474 246 N N 1.906 120.492 118.700 -0.189 0.000 2.416 246 N HA 0.297 5.039 4.740 0.004 0.000 0.246 246 N C 0.131 175.116 175.510 -0.875 0.000 1.260 246 N CA 0.344 53.114 53.050 -0.467 0.000 0.897 246 N CB 0.436 38.815 38.487 -0.180 0.000 1.110 246 N HN 0.800 nan 8.380 nan 0.000 0.439 247 G N -0.552 107.018 108.800 -2.050 0.000 2.557 247 G HA2 0.480 4.443 3.960 0.004 0.000 0.302 247 G HA3 0.480 4.443 3.960 0.004 0.000 0.302 247 G C -0.796 173.599 174.900 -0.841 0.000 1.311 247 G CA -0.501 43.703 45.100 -1.494 0.000 1.030 247 G HN 0.442 nan 8.290 nan 0.000 0.509 248 V N -1.230 118.532 119.914 -0.253 0.000 2.680 248 V HA 0.567 4.689 4.120 0.004 0.000 0.309 248 V C -1.046 175.281 176.094 0.388 0.000 1.052 248 V CA -1.006 61.419 62.300 0.208 0.000 0.908 248 V CB 1.917 33.924 31.823 0.307 0.000 1.001 248 V HN 0.576 nan 8.190 nan 0.000 0.431 249 D N 4.564 125.279 120.400 0.525 0.000 2.359 249 D HA 0.122 4.764 4.640 0.004 0.000 0.250 249 D C 1.273 177.762 176.300 0.316 0.000 1.264 249 D CA 0.107 54.373 54.000 0.444 0.000 0.911 249 D CB 1.356 42.381 40.800 0.376 0.000 1.056 249 D HN 0.871 nan 8.370 nan 0.000 0.499 250 E N 4.129 124.479 120.200 0.250 0.000 2.347 250 E HA -0.189 4.163 4.350 0.004 0.000 0.196 250 E C 0.735 177.405 176.600 0.116 0.000 1.008 250 E CA 0.791 57.292 56.400 0.170 0.000 0.852 250 E CB -0.085 29.691 29.700 0.127 0.000 0.783 250 E HN 0.467 nan 8.360 nan 0.000 0.505 251 K N 0.060 120.533 120.400 0.121 0.000 2.211 251 K HA -0.012 4.310 4.320 0.004 0.000 0.203 251 K C 1.877 178.502 176.600 0.042 0.000 1.050 251 K CA 1.088 57.420 56.287 0.076 0.000 0.945 251 K CB 0.187 32.742 32.500 0.092 0.000 0.732 251 K HN 0.177 nan 8.250 nan 0.000 0.451 252 I N -1.614 118.982 120.570 0.044 0.000 3.194 252 I HA -0.014 4.159 4.170 0.004 0.000 0.271 252 I C 0.296 176.274 176.117 -0.232 0.000 1.150 252 I CA 0.538 61.764 61.300 -0.124 0.000 1.440 252 I CB -0.505 37.380 38.000 -0.193 0.000 1.276 252 I HN 0.094 nan 8.210 nan 0.000 0.457 253 W N 2.643 123.956 121.300 0.022 0.000 2.147 253 W HA 0.458 5.120 4.660 0.004 0.000 0.325 253 W C -0.159 176.432 176.519 0.119 0.000 0.855 253 W CA -0.132 57.246 57.345 0.054 0.000 1.642 253 W CB 0.704 29.944 29.460 -0.367 0.000 1.750 253 W HN -0.166 nan 8.180 nan 0.000 0.359 254 S N 2.350 118.139 115.700 0.150 0.000 2.677 254 S HA 0.232 4.704 4.470 0.004 0.000 0.283 254 S C -1.706 172.626 174.600 -0.447 0.000 1.159 254 S CA -0.984 57.112 58.200 -0.173 0.000 1.001 254 S CB 2.514 65.656 63.200 -0.096 0.000 1.032 254 S HN 0.109 nan 8.310 nan 0.000 0.487 255 P HA -0.060 nan 4.420 nan 0.000 0.226 255 P C 0.579 177.513 177.300 -0.610 0.000 1.153 255 P CA 0.964 63.451 63.100 -1.022 0.000 0.777 255 P CB 0.294 30.916 31.700 -1.797 0.000 0.794 256 E N -0.056 119.887 120.200 -0.429 0.000 2.150 256 E HA -0.088 4.264 4.350 0.004 0.000 0.193 256 E C 1.675 178.183 176.600 -0.153 0.000 0.985 256 E CA 1.986 58.239 56.400 -0.244 0.000 0.814 256 E CB -0.760 28.839 29.700 -0.169 0.000 0.752 256 E HN 0.411 nan 8.360 nan 0.000 0.466 257 T N -3.115 111.356 114.554 -0.138 0.000 3.087 257 T HA 0.077 4.429 4.350 0.004 0.000 0.283 257 T C 0.261 174.920 174.700 -0.068 0.000 0.956 257 T CA -0.469 61.583 62.100 -0.081 0.000 0.894 257 T CB 0.075 68.908 68.868 -0.058 0.000 1.160 257 T HN -0.167 nan 8.240 nan 0.000 0.532 258 D N 2.108 122.462 120.400 -0.076 0.000 2.368 258 D HA 0.063 4.705 4.640 0.004 0.000 0.268 258 D C 0.874 177.153 176.300 -0.035 0.000 1.298 258 D CA -0.497 53.482 54.000 -0.035 0.000 0.938 258 D CB 0.611 41.457 40.800 0.076 0.000 1.101 258 D HN 0.031 nan 8.370 nan 0.000 0.509 259 L N 4.189 125.373 121.223 -0.065 0.000 2.465 259 L HA -0.010 4.332 4.340 0.004 0.000 0.224 259 L C 1.922 178.761 176.870 -0.052 0.000 1.145 259 L CA 0.812 55.621 54.840 -0.052 0.000 0.834 259 L CB -0.402 41.622 42.059 -0.058 0.000 0.944 259 L HN 0.571 nan 8.230 nan 0.000 0.451 260 L N -1.498 119.673 121.223 -0.086 0.000 2.554 260 L HA -0.001 4.341 4.340 0.004 0.000 0.226 260 L C 0.240 177.125 176.870 0.025 0.000 1.137 260 L CA -0.283 54.515 54.840 -0.070 0.000 0.863 260 L CB -0.102 41.837 42.059 -0.200 0.000 0.985 260 L HN 0.049 nan 8.230 nan 0.000 0.451 261 L N -0.499 120.758 121.223 0.057 0.000 2.334 261 L HA 0.289 4.632 4.340 0.004 0.000 0.277 261 L C 1.322 178.246 176.870 0.091 0.000 1.075 261 L CA 0.341 55.249 54.840 0.112 0.000 0.804 261 L CB 1.195 43.349 42.059 0.159 0.000 1.174 261 L HN -0.081 nan 8.230 nan 0.000 0.438 262 A N 1.922 124.803 122.820 0.102 0.000 1.933 262 A HA -0.038 4.284 4.320 0.004 0.000 0.218 262 A C 1.057 178.691 177.584 0.084 0.000 1.175 262 A CA 1.584 53.669 52.037 0.081 0.000 0.628 262 A CB -0.157 18.890 19.000 0.079 0.000 0.814 262 A HN 0.575 nan 8.150 nan 0.000 0.444 263 S N -1.268 114.504 115.700 0.120 0.000 2.619 263 S HA 0.574 5.046 4.470 0.004 0.000 0.280 263 S C -0.560 174.159 174.600 0.198 0.000 1.150 263 S CA -0.770 57.509 58.200 0.131 0.000 0.978 263 S CB 0.832 64.104 63.200 0.119 0.000 1.041 263 S HN 0.459 nan 8.310 nan 0.000 0.485 264 R N 2.107 122.683 120.500 0.127 0.000 2.560 264 R HA 0.642 4.984 4.340 0.004 0.000 0.270 264 R C -0.793 175.605 176.300 0.164 0.000 1.074 264 R CA -0.251 55.892 56.100 0.072 0.000 1.140 264 R CB 0.660 30.951 30.300 -0.014 0.000 1.073 264 R HN 0.733 nan 8.270 nan 0.000 0.527 265 Y N -2.943 117.345 120.300 -0.020 0.000 2.750 265 Y HA 0.601 5.153 4.550 0.003 0.000 0.335 265 Y C -1.018 174.856 175.900 -0.044 0.000 1.252 265 Y CA -1.198 56.891 58.100 -0.018 0.000 1.064 265 Y CB 1.242 39.704 38.460 0.003 0.000 1.321 265 Y HN 0.694 nan 8.280 nan 0.000 0.451 266 T N -2.302 112.350 114.554 0.162 0.000 2.841 266 T HA 0.359 4.711 4.350 0.004 0.000 0.296 266 T C 0.352 175.124 174.700 0.119 0.000 1.166 266 T CA -0.811 61.314 62.100 0.042 0.000 1.007 266 T CB 2.153 71.025 68.868 0.006 0.000 1.253 266 T HN 1.021 nan 8.240 nan 0.000 0.511 267 R N -0.068 120.462 120.500 0.050 0.000 2.170 267 R HA -0.101 4.241 4.340 0.004 0.000 0.242 267 R C 0.485 176.813 176.300 0.047 0.000 1.145 267 R CA 2.021 58.150 56.100 0.048 0.000 0.984 267 R CB -0.255 30.045 30.300 0.000 0.000 0.869 267 R HN 0.654 nan 8.270 nan 0.000 0.455 268 D N -1.064 119.360 120.400 0.041 0.000 2.398 268 D HA 0.010 4.652 4.640 0.004 0.000 0.210 268 D C 0.125 176.452 176.300 0.045 0.000 1.094 268 D CA 0.581 54.602 54.000 0.035 0.000 0.839 268 D CB 1.240 42.052 40.800 0.019 0.000 0.963 268 D HN 0.290 nan 8.370 nan 0.000 0.506 269 T N -1.788 112.808 114.554 0.070 0.000 3.697 269 T HA 0.285 4.637 4.350 0.004 0.000 0.260 269 T C 1.317 176.070 174.700 0.088 0.000 0.998 269 T CA -0.326 61.816 62.100 0.071 0.000 1.128 269 T CB -0.593 68.319 68.868 0.073 0.000 1.082 269 T HN -0.102 nan 8.240 nan 0.000 0.541 270 L N 1.400 122.662 121.223 0.065 0.000 2.353 270 L HA -0.047 4.295 4.340 0.004 0.000 0.220 270 L C 2.965 179.798 176.870 -0.062 0.000 1.133 270 L CA 1.139 55.982 54.840 0.006 0.000 0.798 270 L CB -0.270 41.806 42.059 0.028 0.000 0.922 270 L HN 0.540 nan 8.230 nan 0.000 0.445 271 E N -0.236 119.953 120.200 -0.020 0.000 2.209 271 E HA -0.278 4.074 4.350 0.004 0.000 0.196 271 E C 0.854 177.434 176.600 -0.034 0.000 0.993 271 E CA 1.552 57.935 56.400 -0.028 0.000 0.819 271 E CB -0.436 29.259 29.700 -0.009 0.000 0.745 271 E HN 0.469 nan 8.360 nan 0.000 0.477 272 D N 1.117 121.512 120.400 -0.008 0.000 2.371 272 D HA -0.054 4.588 4.640 0.004 0.000 0.221 272 D C 1.644 177.918 176.300 -0.044 0.000 0.986 272 D CA 0.622 54.636 54.000 0.024 0.000 0.899 272 D CB -0.089 40.778 40.800 0.111 0.000 0.902 272 D HN 0.341 nan 8.370 nan 0.000 0.530 273 K N 0.716 120.946 120.400 -0.284 0.000 2.228 273 K HA 0.014 4.336 4.320 0.004 0.000 0.202 273 K C 1.925 178.414 176.600 -0.185 0.000 1.051 273 K CA 0.632 56.614 56.287 -0.508 0.000 0.960 273 K CB 0.144 32.097 32.500 -0.910 0.000 0.743 273 K HN -0.029 nan 8.250 nan 0.000 0.458 274 A N 1.424 124.178 122.820 -0.110 0.000 1.917 274 A HA -0.253 4.069 4.320 0.004 0.000 0.219 274 A C 1.957 179.533 177.584 -0.014 0.000 1.182 274 A CA 2.132 54.141 52.037 -0.047 0.000 0.633 274 A CB -0.598 18.383 19.000 -0.031 0.000 0.819 274 A HN 0.466 nan 8.150 nan 0.000 0.448 275 E N 0.736 120.936 120.200 -0.001 0.000 2.110 275 E HA -0.156 4.196 4.350 0.004 0.000 0.193 275 E C 1.736 178.359 176.600 0.039 0.000 0.988 275 E CA 1.579 57.993 56.400 0.024 0.000 0.804 275 E CB -0.304 29.417 29.700 0.035 0.000 0.745 275 E HN 0.624 nan 8.360 nan 0.000 0.458 276 N N 0.494 119.221 118.700 0.046 0.000 2.120 276 N HA -0.168 4.574 4.740 0.004 0.000 0.188 276 N C 1.620 177.161 175.510 0.051 0.000 1.024 276 N CA 1.260 54.354 53.050 0.073 0.000 0.852 276 N CB -0.307 38.251 38.487 0.120 0.000 1.003 276 N HN 0.236 nan 8.380 nan 0.000 0.424 277 K N 1.383 121.797 120.400 0.024 0.000 2.026 277 K HA -0.072 4.250 4.320 0.004 0.000 0.208 277 K C 2.187 178.802 176.600 0.026 0.000 1.048 277 K CA 0.829 57.126 56.287 0.017 0.000 0.929 277 K CB 0.091 32.593 32.500 0.004 0.000 0.713 277 K HN 0.008 nan 8.250 nan 0.000 0.439 278 R N 0.728 121.244 120.500 0.026 0.000 2.080 278 R HA -0.189 4.154 4.340 0.004 0.000 0.236 278 R C 2.205 178.529 176.300 0.040 0.000 1.137 278 R CA 2.131 58.248 56.100 0.029 0.000 0.943 278 R CB -0.140 30.175 30.300 0.025 0.000 0.846 278 R HN 0.370 nan 8.270 nan 0.000 0.431 279 Q N 0.040 119.870 119.800 0.049 0.000 2.224 279 Q HA -0.139 4.204 4.340 0.004 0.000 0.203 279 Q C 2.056 178.107 176.000 0.085 0.000 0.970 279 Q CA 0.869 56.709 55.803 0.063 0.000 0.865 279 Q CB -0.017 28.762 28.738 0.067 0.000 0.922 279 Q HN 0.259 nan 8.270 nan 0.000 0.445 280 L N 0.885 122.158 121.223 0.082 0.000 2.056 280 L HA -0.189 4.153 4.340 0.004 0.000 0.207 280 L C 2.029 178.956 176.870 0.095 0.000 1.078 280 L CA 1.817 56.717 54.840 0.100 0.000 0.749 280 L CB -0.387 41.700 42.059 0.046 0.000 0.901 280 L HN 0.133 nan 8.230 nan 0.000 0.433 281 Q N -0.498 119.338 119.800 0.061 0.000 2.050 281 Q HA -0.203 4.140 4.340 0.004 0.000 0.202 281 Q C 2.290 178.324 176.000 0.056 0.000 0.980 281 Q CA 2.214 58.049 55.803 0.052 0.000 0.840 281 Q CB -0.264 28.495 28.738 0.034 0.000 0.898 281 Q HN 0.562 nan 8.270 nan 0.000 0.424 282 I N 0.720 121.321 120.570 0.052 0.000 2.127 282 I HA -0.325 3.847 4.170 0.004 0.000 0.241 282 I C 2.432 178.577 176.117 0.047 0.000 1.075 282 I CA 1.166 62.493 61.300 0.044 0.000 1.334 282 I CB -0.455 37.568 38.000 0.038 0.000 1.040 282 I HN 0.185 nan 8.210 nan 0.000 0.405 283 A N 0.132 122.994 122.820 0.069 0.000 1.978 283 A HA -0.172 4.150 4.320 0.004 0.000 0.220 283 A C 2.248 179.861 177.584 0.048 0.000 1.170 283 A CA 1.542 53.614 52.037 0.059 0.000 0.636 283 A CB -0.348 18.726 19.000 0.124 0.000 0.810 283 A HN 0.379 nan 8.150 nan 0.000 0.448 284 M N -1.883 117.773 119.600 0.094 0.000 2.428 284 M HA 0.164 4.646 4.480 0.004 0.000 0.239 284 M C 1.338 177.674 176.300 0.059 0.000 1.121 284 M CA 0.960 56.316 55.300 0.093 0.000 1.019 284 M CB -0.047 32.637 32.600 0.140 0.000 1.485 284 M HN 0.718 nan 8.290 nan 0.000 0.484 285 G N 2.056 110.884 108.800 0.047 0.000 2.137 285 G HA2 -0.224 3.738 3.960 0.004 0.000 0.237 285 G HA3 -0.224 3.738 3.960 0.004 0.000 0.237 285 G C -0.019 174.908 174.900 0.045 0.000 1.002 285 G CA -0.110 45.014 45.100 0.039 0.000 0.702 285 G HN 0.404 nan 8.290 nan 0.000 0.515 286 L N -0.209 121.044 121.223 0.050 0.000 2.439 286 L HA 0.416 4.758 4.340 0.004 0.000 0.261 286 L C 1.265 178.158 176.870 0.039 0.000 1.153 286 L CA -0.803 54.066 54.840 0.047 0.000 0.808 286 L CB 0.760 42.847 42.059 0.046 0.000 1.126 286 L HN 0.128 nan 8.230 nan 0.000 0.460 287 K N 1.005 121.428 120.400 0.037 0.000 2.451 287 K HA 0.092 4.414 4.320 0.004 0.000 0.280 287 K C -0.809 175.808 176.600 0.029 0.000 1.020 287 K CA -0.361 55.946 56.287 0.032 0.000 1.008 287 K CB 0.661 33.181 32.500 0.033 0.000 0.917 287 K HN 0.322 nan 8.250 nan 0.000 0.478 288 V N 5.312 125.242 119.914 0.027 0.000 2.364 288 V HA 0.030 4.152 4.120 0.004 0.000 0.252 288 V C -0.151 175.958 176.094 0.025 0.000 1.075 288 V CA 0.115 62.430 62.300 0.026 0.000 1.033 288 V CB 0.200 32.038 31.823 0.024 0.000 1.116 288 V HN 0.726 nan 8.190 nan 0.000 0.488 289 D N 3.374 123.789 120.400 0.026 0.000 2.736 289 D HA 0.215 4.857 4.640 0.004 0.000 0.243 289 D C 0.282 176.607 176.300 0.042 0.000 1.304 289 D CA -0.542 53.478 54.000 0.033 0.000 0.934 289 D CB 2.057 42.878 40.800 0.034 0.000 1.382 289 D HN 0.540 nan 8.370 nan 0.000 0.571 290 D N 2.391 122.821 120.400 0.050 0.000 2.339 290 D HA -0.030 4.612 4.640 0.004 0.000 0.217 290 D C 0.685 177.067 176.300 0.136 0.000 1.050 290 D CA 0.124 54.167 54.000 0.072 0.000 0.856 290 D CB 0.428 41.250 40.800 0.036 0.000 0.922 290 D HN 0.093 nan 8.370 nan 0.000 0.518 291 K N 0.068 120.551 120.400 0.138 0.000 2.367 291 K HA 0.207 4.529 4.320 0.004 0.000 0.194 291 K C 0.102 176.928 176.600 0.376 0.000 1.027 291 K CA -0.100 56.306 56.287 0.198 0.000 1.075 291 K CB 1.267 33.836 32.500 0.114 0.000 0.845 291 K HN 0.100 nan 8.250 nan 0.000 0.529 292 V N 4.245 124.281 119.914 0.203 0.000 2.513 292 V HA 0.254 4.377 4.120 0.004 0.000 0.299 292 V C -2.425 173.397 176.094 -0.453 0.000 1.035 292 V CA -2.315 59.974 62.300 -0.018 0.000 0.889 292 V CB 2.245 34.066 31.823 -0.005 0.000 0.988 292 V HN -0.000 nan 8.190 nan 0.000 0.440 293 P HA 0.175 nan 4.420 nan 0.000 0.276 293 P C -1.004 175.818 177.300 -0.796 0.000 1.235 293 P CA -0.348 61.757 63.100 -1.659 0.000 0.772 293 P CB 1.285 31.753 31.700 -2.053 0.000 0.871 294 L N 5.383 126.207 121.223 -0.665 0.000 2.280 294 L HA 0.475 4.817 4.340 0.004 0.000 0.287 294 L C -1.046 175.619 176.870 -0.341 0.000 1.023 294 L CA -0.666 53.987 54.840 -0.312 0.000 0.819 294 L CB -0.275 41.676 42.059 -0.181 0.000 1.212 294 L HN 0.137 nan 8.230 nan 0.000 0.420 295 F N 3.893 123.737 119.950 -0.176 0.000 2.397 295 F HA 0.767 5.296 4.527 0.003 0.000 0.331 295 F C 0.658 176.403 175.800 -0.090 0.000 1.090 295 F CA -0.171 57.754 58.000 -0.125 0.000 1.065 295 F CB 1.662 40.588 39.000 -0.124 0.000 1.184 295 F HN 0.634 nan 8.300 nan 0.000 0.499 296 A N 1.822 124.700 122.820 0.097 0.000 2.435 296 A HA 0.854 5.176 4.320 0.004 0.000 0.304 296 A C -1.616 175.962 177.584 -0.011 0.000 1.064 296 A CA -0.700 51.340 52.037 0.005 0.000 0.727 296 A CB 1.612 20.585 19.000 -0.045 0.000 1.284 296 A HN 0.512 nan 8.150 nan 0.000 0.415 297 V N 1.636 121.510 119.914 -0.067 0.000 2.577 297 V HA 0.543 4.666 4.120 0.004 0.000 0.303 297 V C -0.882 175.143 176.094 -0.114 0.000 1.042 297 V CA -0.441 61.801 62.300 -0.097 0.000 0.872 297 V CB 1.825 33.552 31.823 -0.159 0.000 0.998 297 V HN 0.704 nan 8.190 nan 0.000 0.423 298 V N 3.816 123.664 119.914 -0.110 0.000 2.398 298 V HA 0.769 4.891 4.120 0.004 0.000 0.282 298 V C -0.272 175.765 176.094 -0.094 0.000 1.014 298 V CA -0.048 62.187 62.300 -0.107 0.000 0.838 298 V CB 1.333 33.086 31.823 -0.117 0.000 1.018 298 V HN 0.905 nan 8.190 nan 0.000 0.432 299 S N 4.129 119.785 115.700 -0.073 0.000 2.565 299 S HA 0.535 5.007 4.470 0.004 0.000 0.274 299 S C -0.996 173.596 174.600 -0.012 0.000 1.144 299 S CA -0.925 57.245 58.200 -0.050 0.000 0.849 299 S CB 1.630 64.793 63.200 -0.062 0.000 1.103 299 S HN 0.576 nan 8.310 nan 0.000 0.455 300 R N 1.721 122.231 120.500 0.016 0.000 2.585 300 R HA 0.158 4.500 4.340 0.004 0.000 0.275 300 R C -0.559 175.758 176.300 0.029 0.000 1.018 300 R CA -0.265 55.860 56.100 0.041 0.000 1.072 300 R CB -0.384 29.947 30.300 0.053 0.000 0.953 300 R HN 0.460 nan 8.270 nan 0.000 0.419 301 L N 3.705 124.958 121.223 0.050 0.000 2.389 301 L HA 0.176 4.519 4.340 0.004 0.000 0.265 301 L C 0.574 177.494 176.870 0.084 0.000 1.167 301 L CA 0.371 55.257 54.840 0.076 0.000 1.045 301 L CB -0.488 41.635 42.059 0.107 0.000 1.351 301 L HN 0.757 nan 8.230 nan 0.000 0.419 302 T N -3.390 111.204 114.554 0.067 0.000 2.787 302 T HA 0.353 4.706 4.350 0.004 0.000 0.297 302 T C 0.967 175.698 174.700 0.050 0.000 1.221 302 T CA 0.042 62.175 62.100 0.055 0.000 1.006 302 T CB 1.324 70.217 68.868 0.042 0.000 1.328 302 T HN 0.141 nan 8.240 nan 0.000 0.509 303 S N -0.217 115.512 115.700 0.049 0.000 2.395 303 S HA -0.171 4.301 4.470 0.004 0.000 0.225 303 S C 1.976 176.603 174.600 0.045 0.000 1.027 303 S CA 1.313 59.548 58.200 0.058 0.000 0.965 303 S CB -0.905 62.333 63.200 0.064 0.000 0.812 303 S HN 0.863 nan 8.310 nan 0.000 0.482 304 Q N 1.124 120.932 119.800 0.012 0.000 2.156 304 Q HA -0.217 4.125 4.340 0.004 0.000 0.211 304 Q C 1.272 177.137 176.000 -0.225 0.000 0.995 304 Q CA 1.699 57.402 55.803 -0.167 0.000 0.877 304 Q CB -0.140 28.419 28.738 -0.300 0.000 0.920 304 Q HN 0.385 nan 8.270 nan 0.000 0.416 305 K N -1.039 119.295 120.400 -0.109 0.000 2.404 305 K HA 0.108 4.430 4.320 0.004 0.000 0.194 305 K C 0.976 177.580 176.600 0.006 0.000 1.023 305 K CA 0.764 57.005 56.287 -0.076 0.000 1.094 305 K CB 0.570 33.039 32.500 -0.053 0.000 0.841 305 K HN 0.479 nan 8.250 nan 0.000 0.523 306 G N 1.724 110.551 108.800 0.045 0.000 2.160 306 G HA2 -0.227 3.735 3.960 0.004 0.000 0.251 306 G HA3 -0.227 3.735 3.960 0.004 0.000 0.251 306 G C 0.683 175.650 174.900 0.112 0.000 1.008 306 G CA 0.054 45.214 45.100 0.101 0.000 0.724 306 G HN 0.253 nan 8.290 nan 0.000 0.514 307 L N 1.145 122.435 121.223 0.111 0.000 2.465 307 L HA 0.024 4.366 4.340 0.004 0.000 0.224 307 L C 2.572 179.573 176.870 0.219 0.000 1.145 307 L CA 2.312 57.259 54.840 0.180 0.000 0.834 307 L CB -0.726 41.442 42.059 0.182 0.000 0.944 307 L HN 0.615 nan 8.230 nan 0.000 0.451 308 D N -0.273 120.202 120.400 0.126 0.000 2.144 308 D HA -0.218 4.424 4.640 0.004 0.000 0.200 308 D C 2.192 178.517 176.300 0.043 0.000 0.978 308 D CA 0.828 54.865 54.000 0.063 0.000 0.833 308 D CB -0.559 40.267 40.800 0.044 0.000 0.961 308 D HN 0.287 nan 8.370 nan 0.000 0.470 309 L N 0.553 121.815 121.223 0.066 0.000 2.083 309 L HA -0.132 4.210 4.340 0.004 0.000 0.209 309 L C 2.804 179.684 176.870 0.017 0.000 1.083 309 L CA 0.668 55.531 54.840 0.038 0.000 0.752 309 L CB -0.491 41.604 42.059 0.060 0.000 0.899 309 L HN -0.061 nan 8.230 nan 0.000 0.433 310 V N -0.028 119.934 119.914 0.081 0.000 2.295 310 V HA -0.293 3.829 4.120 0.004 0.000 0.246 310 V C 2.444 178.595 176.094 0.094 0.000 1.049 310 V CA 1.671 64.034 62.300 0.106 0.000 1.024 310 V CB -0.462 31.493 31.823 0.221 0.000 0.648 310 V HN 0.289 nan 8.190 nan 0.000 0.447 311 L N 0.404 121.662 121.223 0.058 0.000 2.012 311 L HA -0.218 4.124 4.340 0.004 0.000 0.210 311 L C 2.456 179.239 176.870 -0.144 0.000 1.073 311 L CA 2.411 57.102 54.840 -0.247 0.000 0.748 311 L CB -0.768 40.968 42.059 -0.538 0.000 0.891 311 L HN 0.477 nan 8.230 nan 0.000 0.431 312 E N -1.113 119.035 120.200 -0.087 0.000 2.150 312 E HA -0.169 4.183 4.350 0.004 0.000 0.193 312 E C 1.898 178.456 176.600 -0.070 0.000 0.985 312 E CA 0.953 57.314 56.400 -0.066 0.000 0.814 312 E CB -0.093 29.585 29.700 -0.036 0.000 0.752 312 E HN 0.590 nan 8.360 nan 0.000 0.466 313 A N 0.302 123.073 122.820 -0.082 0.000 2.178 313 A HA 0.023 4.346 4.320 0.004 0.000 0.211 313 A C 1.863 179.364 177.584 -0.137 0.000 1.157 313 A CA 0.074 52.041 52.037 -0.117 0.000 0.780 313 A CB -0.222 18.685 19.000 -0.156 0.000 0.828 313 A HN 0.330 nan 8.150 nan 0.000 0.476 314 L N 0.856 122.011 121.223 -0.112 0.000 2.013 314 L HA -0.084 4.258 4.340 0.004 0.000 0.212 314 L C -0.770 175.986 176.870 -0.189 0.000 1.073 314 L CA 2.523 57.286 54.840 -0.127 0.000 0.753 314 L CB -1.263 40.759 42.059 -0.063 0.000 0.890 314 L HN 0.154 nan 8.230 nan 0.000 0.432 315 P HA -0.124 nan 4.420 nan 0.000 0.215 315 P C 1.677 178.859 177.300 -0.197 0.000 1.157 315 P CA 1.881 64.861 63.100 -0.201 0.000 0.868 315 P CB -0.449 31.187 31.700 -0.105 0.000 0.788 316 G N -0.005 108.694 108.800 -0.168 0.000 2.469 316 G HA2 -0.289 3.674 3.960 0.004 0.000 0.219 316 G HA3 -0.289 3.674 3.960 0.004 0.000 0.219 316 G C 1.546 176.306 174.900 -0.234 0.000 1.150 316 G CA 0.734 45.723 45.100 -0.185 0.000 0.763 316 G HN 0.286 nan 8.290 nan 0.000 0.561 317 L N -0.128 120.955 121.223 -0.234 0.000 2.056 317 L HA 0.089 4.431 4.340 0.004 0.000 0.207 317 L C 2.806 179.566 176.870 -0.185 0.000 1.078 317 L CA 0.909 55.612 54.840 -0.228 0.000 0.749 317 L CB -0.140 41.714 42.059 -0.342 0.000 0.901 317 L HN 0.211 nan 8.230 nan 0.000 0.433 318 L N -0.312 120.775 121.223 -0.227 0.000 2.056 318 L HA -0.226 4.117 4.340 0.004 0.000 0.207 318 L C 2.548 179.294 176.870 -0.206 0.000 1.078 318 L CA 1.607 56.309 54.840 -0.230 0.000 0.749 318 L CB -0.654 41.155 42.059 -0.417 0.000 0.901 318 L HN 0.406 nan 8.230 nan 0.000 0.433 319 E N 0.370 120.433 120.200 -0.227 0.000 2.160 319 E HA -0.264 4.088 4.350 0.004 0.000 0.195 319 E C 1.928 178.381 176.600 -0.245 0.000 0.991 319 E CA 1.157 57.439 56.400 -0.197 0.000 0.810 319 E CB 0.102 29.696 29.700 -0.176 0.000 0.742 319 E HN 0.553 nan 8.360 nan 0.000 0.466 320 Q N -1.224 118.340 119.800 -0.393 0.000 2.403 320 Q HA 0.117 4.459 4.340 0.004 0.000 0.203 320 Q C 0.783 176.520 176.000 -0.439 0.000 0.932 320 Q CA 0.428 55.840 55.803 -0.652 0.000 0.945 320 Q CB 0.943 28.816 28.738 -1.441 0.000 1.045 320 Q HN 0.451 nan 8.270 nan 0.000 0.511 321 G N 0.126 108.835 108.800 -0.151 0.000 2.134 321 G HA2 -0.181 3.781 3.960 0.004 0.000 0.209 321 G HA3 -0.181 3.781 3.960 0.004 0.000 0.209 321 G C 0.210 175.218 174.900 0.181 0.000 0.993 321 G CA -0.421 44.698 45.100 0.033 0.000 0.669 321 G HN 0.480 nan 8.290 nan 0.000 0.519 322 G N -0.862 108.123 108.800 0.308 0.000 2.504 322 G HA2 0.613 4.576 3.960 0.004 0.000 0.288 322 G HA3 0.613 4.576 3.960 0.004 0.000 0.288 322 G C -0.092 174.889 174.900 0.134 0.000 1.182 322 G CA -0.339 44.950 45.100 0.315 0.000 0.894 322 G HN 0.439 nan 8.290 nan 0.000 0.521 323 Q N -1.180 118.692 119.800 0.119 0.000 2.248 323 Q HA 0.600 4.942 4.340 0.004 0.000 0.263 323 Q C -1.291 174.783 176.000 0.123 0.000 1.007 323 Q CA -0.809 55.039 55.803 0.075 0.000 0.877 323 Q CB 2.626 31.381 28.738 0.028 0.000 1.315 323 Q HN 0.354 nan 8.270 nan 0.000 0.454 324 L N 0.711 121.979 121.223 0.075 0.000 2.362 324 L HA 0.745 5.087 4.340 0.004 0.000 0.275 324 L C -1.698 175.204 176.870 0.055 0.000 0.998 324 L CA -0.330 54.555 54.840 0.075 0.000 0.820 324 L CB 1.846 43.937 42.059 0.052 0.000 1.270 324 L HN 0.696 nan 8.230 nan 0.000 0.415 325 A N 6.076 128.916 122.820 0.034 0.000 2.310 325 A HA 0.688 5.010 4.320 0.004 0.000 0.304 325 A C -1.471 176.098 177.584 -0.026 0.000 1.231 325 A CA -0.410 51.638 52.037 0.018 0.000 0.799 325 A CB 0.721 19.722 19.000 0.001 0.000 1.162 325 A HN 0.801 nan 8.150 nan 0.000 0.486 326 L N 3.438 124.645 121.223 -0.027 0.000 2.341 326 L HA 0.843 5.185 4.340 0.004 0.000 0.278 326 L C -1.531 175.320 176.870 -0.031 0.000 1.005 326 L CA -0.996 53.781 54.840 -0.105 0.000 0.818 326 L CB 1.729 43.629 42.059 -0.266 0.000 1.259 326 L HN 0.681 nan 8.230 nan 0.000 0.418 327 L N 5.229 126.425 121.223 -0.045 0.000 2.381 327 L HA 1.041 5.383 4.340 0.004 0.000 0.274 327 L C -0.495 176.363 176.870 -0.020 0.000 0.988 327 L CA 0.292 55.154 54.840 0.037 0.000 0.824 327 L CB 1.685 43.795 42.059 0.085 0.000 1.263 327 L HN 0.706 nan 8.230 nan 0.000 0.410 328 G N 2.805 111.615 108.800 0.016 0.000 2.338 328 G HA2 0.722 4.684 3.960 0.004 0.000 0.295 328 G HA3 0.722 4.684 3.960 0.004 0.000 0.295 328 G C -2.245 172.688 174.900 0.055 0.000 1.461 328 G CA -0.113 44.994 45.100 0.012 0.000 0.817 328 G HN 1.077 nan 8.290 nan 0.000 0.556 329 A N -1.136 121.729 122.820 0.075 0.000 2.539 329 A HA 1.152 5.474 4.320 0.004 0.000 0.296 329 A C 0.374 178.005 177.584 0.079 0.000 1.073 329 A CA 0.329 52.418 52.037 0.087 0.000 0.700 329 A CB 1.654 20.718 19.000 0.106 0.000 1.296 329 A HN 2.674 nan 8.150 nan 0.000 0.405 330 G N -0.115 108.727 108.800 0.070 0.000 2.566 330 G HA2 0.379 4.341 3.960 0.004 0.000 0.138 330 G HA3 0.379 4.341 3.960 0.004 0.000 0.138 330 G C -1.746 173.183 174.900 0.048 0.000 1.133 330 G CA -0.368 44.767 45.100 0.059 0.000 1.037 330 G HN 0.684 nan 8.290 nan 0.000 0.491 331 D N 2.411 122.842 120.400 0.051 0.000 2.570 331 D HA 0.241 4.883 4.640 0.004 0.000 0.243 331 D C -1.342 174.988 176.300 0.050 0.000 1.171 331 D CA -0.685 53.339 54.000 0.040 0.000 0.879 331 D CB 1.389 42.216 40.800 0.045 0.000 1.143 331 D HN -0.043 nan 8.370 nan 0.000 0.511 332 P HA -0.184 nan 4.420 nan 0.000 0.216 332 P C 1.552 178.874 177.300 0.037 0.000 1.150 332 P CA 0.612 63.732 63.100 0.034 0.000 0.843 332 P CB 0.290 31.999 31.700 0.015 0.000 0.787 333 V N -0.692 119.238 119.914 0.026 0.000 2.287 333 V HA -0.250 3.872 4.120 0.004 0.000 0.248 333 V C 2.451 178.554 176.094 0.016 0.000 1.053 333 V CA 1.765 64.073 62.300 0.014 0.000 1.027 333 V CB -1.245 30.581 31.823 0.004 0.000 0.646 333 V HN 0.090 nan 8.190 nan 0.000 0.447 334 L N -0.753 120.501 121.223 0.052 0.000 2.044 334 L HA -0.183 4.159 4.340 0.004 0.000 0.205 334 L C 2.739 179.738 176.870 0.215 0.000 1.075 334 L CA 1.476 56.377 54.840 0.101 0.000 0.747 334 L CB -0.712 41.461 42.059 0.191 0.000 0.903 334 L HN 0.361 nan 8.230 nan 0.000 0.435 335 Q N -0.079 119.834 119.800 0.189 0.000 2.045 335 Q HA -0.246 4.096 4.340 0.004 0.000 0.206 335 Q C 2.168 178.262 176.000 0.157 0.000 0.991 335 Q CA 1.598 57.515 55.803 0.190 0.000 0.851 335 Q CB -0.213 28.596 28.738 0.118 0.000 0.911 335 Q HN 0.428 nan 8.270 nan 0.000 0.418 336 E N 0.109 120.361 120.200 0.088 0.000 2.077 336 E HA -0.139 4.213 4.350 0.004 0.000 0.193 336 E C 2.151 178.769 176.600 0.031 0.000 0.989 336 E CA 1.253 57.686 56.400 0.054 0.000 0.800 336 E CB -0.614 29.103 29.700 0.028 0.000 0.746 336 E HN 0.512 nan 8.360 nan 0.000 0.452 337 G N 0.440 109.229 108.800 -0.019 0.000 2.476 337 G HA2 -0.264 3.698 3.960 0.004 0.000 0.218 337 G HA3 -0.264 3.698 3.960 0.004 0.000 0.218 337 G C 1.414 176.222 174.900 -0.154 0.000 1.164 337 G CA 0.779 45.799 45.100 -0.134 0.000 0.768 337 G HN 0.177 nan 8.290 nan 0.000 0.560 338 F N 0.444 120.415 119.950 0.036 0.000 2.206 338 F HA 0.184 4.713 4.527 0.003 0.000 0.298 338 F C 2.627 178.456 175.800 0.049 0.000 1.090 338 F CA 0.456 58.482 58.000 0.044 0.000 1.323 338 F CB -0.360 38.666 39.000 0.042 0.000 1.028 338 F HN 0.012 nan 8.300 nan 0.000 0.492 339 L N -0.482 120.866 121.223 0.209 0.000 2.046 339 L HA -0.232 4.110 4.340 0.004 0.000 0.208 339 L C 2.712 179.634 176.870 0.087 0.000 1.077 339 L CA 1.185 56.103 54.840 0.130 0.000 0.747 339 L CB -1.012 41.105 42.059 0.096 0.000 0.896 339 L HN 0.141 nan 8.230 nan 0.000 0.432 340 A N 0.004 122.858 122.820 0.057 0.000 1.908 340 A HA -0.210 4.113 4.320 0.004 0.000 0.218 340 A C 2.514 180.118 177.584 0.033 0.000 1.181 340 A CA 1.872 53.921 52.037 0.021 0.000 0.627 340 A CB -0.736 18.260 19.000 -0.007 0.000 0.818 340 A HN 0.415 nan 8.150 nan 0.000 0.445 341 A N -0.384 122.487 122.820 0.085 0.000 1.969 341 A HA 0.226 4.548 4.320 0.004 0.000 0.218 341 A C 2.457 180.169 177.584 0.214 0.000 1.169 341 A CA 1.862 54.011 52.037 0.186 0.000 0.635 341 A CB -0.859 18.266 19.000 0.208 0.000 0.810 341 A HN 1.015 nan 8.150 nan 0.000 0.445 342 A N -0.100 122.819 122.820 0.165 0.000 1.898 342 A HA 0.207 4.529 4.320 0.004 0.000 0.216 342 A C 2.479 180.113 177.584 0.083 0.000 1.181 342 A CA 1.910 54.030 52.037 0.139 0.000 0.620 342 A CB -0.912 18.162 19.000 0.122 0.000 0.819 342 A HN 0.958 nan 8.150 nan 0.000 0.442 343 A N -0.398 122.448 122.820 0.043 0.000 1.873 343 A HA -0.163 4.160 4.320 0.004 0.000 0.215 343 A C 2.033 179.579 177.584 -0.062 0.000 1.186 343 A CA 1.735 53.770 52.037 -0.002 0.000 0.616 343 A CB -0.541 18.454 19.000 -0.009 0.000 0.823 343 A HN 0.635 nan 8.150 nan 0.000 0.442 344 E N -1.742 118.380 120.200 -0.131 0.000 2.150 344 E HA -0.148 4.204 4.350 0.004 0.000 0.193 344 E C -0.243 176.044 176.600 -0.521 0.000 0.985 344 E CA 0.831 57.004 56.400 -0.378 0.000 0.814 344 E CB -0.052 29.326 29.700 -0.536 0.000 0.752 344 E HN 0.749 nan 8.360 nan 0.000 0.466 345 Y N 0.581 120.891 120.300 0.016 0.000 2.516 345 Y HA 0.307 4.859 4.550 0.003 0.000 0.341 345 Y C -2.307 173.607 175.900 0.023 0.000 0.912 345 Y CA -2.453 55.657 58.100 0.017 0.000 1.167 345 Y CB 0.876 39.346 38.460 0.016 0.000 1.195 345 Y HN 0.037 nan 8.280 nan 0.000 0.610 346 P HA 0.079 nan 4.420 nan 0.000 0.268 346 P C 1.061 178.412 177.300 0.086 0.000 1.205 346 P CA 1.471 64.620 63.100 0.082 0.000 0.771 346 P CB 1.523 33.248 31.700 0.043 0.000 0.858 347 G N 2.918 111.763 108.800 0.075 0.000 2.241 347 G HA2 -0.265 3.697 3.960 0.004 0.000 0.244 347 G HA3 -0.265 3.697 3.960 0.004 0.000 0.244 347 G C 0.689 175.630 174.900 0.067 0.000 0.998 347 G CA 0.547 45.685 45.100 0.064 0.000 0.621 347 G HN 0.643 nan 8.290 nan 0.000 0.519 348 Q N -0.897 118.956 119.800 0.087 0.000 2.210 348 Q HA 0.561 4.903 4.340 0.004 0.000 0.252 348 Q C 0.132 176.175 176.000 0.072 0.000 0.811 348 Q CA 0.404 56.247 55.803 0.067 0.000 0.953 348 Q CB 1.348 30.113 28.738 0.045 0.000 1.136 348 Q HN 0.556 nan 8.270 nan 0.000 0.491 349 V N 1.447 121.426 119.914 0.109 0.000 2.443 349 V HA 0.692 4.815 4.120 0.004 0.000 0.293 349 V C -0.258 175.902 176.094 0.111 0.000 1.021 349 V CA -0.587 61.783 62.300 0.117 0.000 0.848 349 V CB 1.508 33.432 31.823 0.170 0.000 0.998 349 V HN 0.296 nan 8.190 nan 0.000 0.424 350 G N 3.432 112.289 108.800 0.095 0.000 2.470 350 G HA2 0.694 4.656 3.960 0.004 0.000 0.320 350 G HA3 0.694 4.656 3.960 0.004 0.000 0.320 350 G C -1.332 173.624 174.900 0.093 0.000 1.245 350 G CA -0.516 44.640 45.100 0.093 0.000 0.935 350 G HN 0.543 nan 8.290 nan 0.000 0.476 351 V N 1.436 121.405 119.914 0.093 0.000 2.841 351 V HA 0.621 4.743 4.120 0.004 0.000 0.310 351 V C -0.846 175.298 176.094 0.083 0.000 1.090 351 V CA -0.778 61.572 62.300 0.084 0.000 0.930 351 V CB 2.207 34.096 31.823 0.110 0.000 1.014 351 V HN 0.750 nan 8.190 nan 0.000 0.425 352 Q N 3.448 123.303 119.800 0.092 0.000 2.295 352 Q HA 0.520 4.863 4.340 0.004 0.000 0.259 352 Q C -1.576 174.498 176.000 0.123 0.000 0.966 352 Q CA -0.252 55.606 55.803 0.092 0.000 0.763 352 Q CB 1.422 30.225 28.738 0.108 0.000 1.283 352 Q HN 0.610 nan 8.270 nan 0.000 0.445 353 I N 3.372 124.014 120.570 0.120 0.000 2.342 353 I HA 0.841 5.013 4.170 0.004 0.000 0.291 353 I C 0.893 177.112 176.117 0.169 0.000 1.010 353 I CA 0.470 61.846 61.300 0.125 0.000 1.308 353 I CB 0.434 38.498 38.000 0.106 0.000 1.400 353 I HN 0.774 nan 8.210 nan 0.000 0.488 354 G N 6.074 114.968 108.800 0.157 0.000 2.334 354 G HA2 -0.056 3.906 3.960 0.004 0.000 0.315 354 G HA3 -0.056 3.906 3.960 0.004 0.000 0.315 354 G C -2.034 172.926 174.900 0.100 0.000 1.284 354 G CA -0.864 44.312 45.100 0.128 0.000 0.985 354 G HN 0.434 nan 8.290 nan 0.000 0.504 355 Y N 1.663 121.846 120.300 -0.196 0.000 2.328 355 Y HA 0.730 5.282 4.550 0.003 0.000 0.337 355 Y C -0.123 175.530 175.900 -0.411 0.000 0.966 355 Y CA -0.587 57.419 58.100 -0.156 0.000 1.136 355 Y CB 1.171 39.582 38.460 -0.082 0.000 1.170 355 Y HN 0.560 nan 8.280 nan 0.000 0.470 356 H N 5.397 124.377 119.070 -0.149 0.000 3.036 356 H HA 0.098 4.656 4.556 0.003 0.000 0.295 356 H C 0.461 175.783 175.328 -0.011 0.000 1.124 356 H CA -0.370 55.703 56.048 0.042 0.000 1.507 356 H CB 1.722 31.563 29.762 0.132 0.000 1.591 356 H HN 0.786 nan 8.280 nan 0.000 0.510 357 E N 3.480 123.778 120.200 0.164 0.000 2.049 357 E HA -0.156 4.196 4.350 0.004 0.000 0.198 357 E C 2.051 178.802 176.600 0.251 0.000 1.007 357 E CA 1.966 58.501 56.400 0.224 0.000 0.809 357 E CB 0.152 30.067 29.700 0.359 0.000 0.749 357 E HN 0.717 nan 8.360 nan 0.000 0.450 358 A N -0.351 122.594 122.820 0.209 0.000 1.898 358 A HA -0.135 4.187 4.320 0.004 0.000 0.216 358 A C 2.174 179.902 177.584 0.240 0.000 1.181 358 A CA 1.367 53.490 52.037 0.145 0.000 0.620 358 A CB -0.894 18.161 19.000 0.091 0.000 0.819 358 A HN 0.438 nan 8.150 nan 0.000 0.442 359 F N 2.130 122.135 119.950 0.092 0.000 2.216 359 F HA -0.175 4.355 4.527 0.005 0.000 0.300 359 F C 2.762 178.608 175.800 0.077 0.000 1.085 359 F CA 1.407 59.444 58.000 0.061 0.000 1.326 359 F CB -0.512 38.497 39.000 0.016 0.000 1.027 359 F HN 0.350 nan 8.300 nan 0.000 0.497 360 S N -0.994 114.741 115.700 0.059 0.000 2.400 360 S HA -0.267 4.205 4.470 0.004 0.000 0.232 360 S C 2.084 176.665 174.600 -0.031 0.000 1.025 360 S CA 1.609 59.789 58.200 -0.034 0.000 0.993 360 S CB -1.173 62.072 63.200 0.075 0.000 0.808 360 S HN 0.584 nan 8.310 nan 0.000 0.478 361 H N 1.575 120.606 119.070 -0.066 0.000 2.357 361 H HA 0.107 4.665 4.556 0.004 0.000 0.301 361 H C 2.529 177.807 175.328 -0.083 0.000 1.082 361 H CA 1.519 57.484 56.048 -0.139 0.000 1.342 361 H CB -0.067 29.538 29.762 -0.262 0.000 1.389 361 H HN 0.467 nan 8.280 nan 0.000 0.511 362 R N 0.293 120.816 120.500 0.038 0.000 2.115 362 R HA -0.048 4.294 4.340 0.004 0.000 0.230 362 R C 2.387 178.610 176.300 -0.129 0.000 1.111 362 R CA 0.775 56.879 56.100 0.006 0.000 0.976 362 R CB -0.053 30.303 30.300 0.094 0.000 0.870 362 R HN 0.290 nan 8.270 nan 0.000 0.445 363 I N 0.352 120.720 120.570 -0.337 0.000 2.163 363 I HA -0.267 3.905 4.170 0.004 0.000 0.240 363 I C 2.468 178.504 176.117 -0.135 0.000 1.081 363 I CA 1.000 62.116 61.300 -0.306 0.000 1.353 363 I CB -0.143 37.602 38.000 -0.425 0.000 1.054 363 I HN 0.094 nan 8.210 nan 0.000 0.407 364 M N 1.032 120.549 119.600 -0.139 0.000 2.106 364 M HA -0.147 4.335 4.480 0.004 0.000 0.259 364 M C 1.906 178.224 176.300 0.029 0.000 1.068 364 M CA 1.988 57.198 55.300 -0.150 0.000 1.100 364 M CB -0.800 31.579 32.600 -0.369 0.000 1.351 364 M HN 0.211 nan 8.290 nan 0.000 0.404 365 G N -2.243 106.648 108.800 0.153 0.000 2.813 365 G HA2 0.202 4.164 3.960 0.004 0.000 0.209 365 G HA3 0.202 4.164 3.960 0.004 0.000 0.209 365 G C 1.238 176.313 174.900 0.291 0.000 1.150 365 G CA 0.482 45.870 45.100 0.480 0.000 0.785 365 G HN 0.626 nan 8.290 nan 0.000 0.535 366 G N -0.264 108.614 108.800 0.129 0.000 2.739 366 G HA2 0.470 4.432 3.960 0.004 0.000 0.200 366 G HA3 0.470 4.432 3.960 0.004 0.000 0.200 366 G C 0.797 175.710 174.900 0.021 0.000 1.069 366 G CA 0.787 45.922 45.100 0.058 0.000 0.768 366 G HN 0.575 nan 8.290 nan 0.000 0.565 367 A N 0.614 123.439 122.820 0.008 0.000 2.346 367 A HA 0.474 4.796 4.320 0.004 0.000 0.252 367 A C 0.771 178.360 177.584 0.008 0.000 1.089 367 A CA 0.232 52.253 52.037 -0.027 0.000 0.797 367 A CB 0.447 19.419 19.000 -0.046 0.000 1.047 367 A HN 0.131 nan 8.150 nan 0.000 0.494 368 D N -0.922 119.439 120.400 -0.066 0.000 2.324 368 D HA 0.180 4.822 4.640 0.004 0.000 0.212 368 D C -0.162 176.224 176.300 0.144 0.000 0.984 368 D CA 1.057 55.093 54.000 0.060 0.000 0.885 368 D CB 0.536 41.205 40.800 -0.219 0.000 0.996 368 D HN 0.197 nan 8.370 nan 0.000 0.505 369 V N 1.470 121.328 119.914 -0.093 0.000 2.841 369 V HA 0.376 4.498 4.120 0.004 0.000 0.310 369 V C -0.654 175.446 176.094 0.009 0.000 1.090 369 V CA -0.912 61.369 62.300 -0.032 0.000 0.930 369 V CB 3.252 34.929 31.823 -0.243 0.000 1.014 369 V HN -0.061 nan 8.190 nan 0.000 0.425 370 I N 4.415 125.021 120.570 0.060 0.000 2.378 370 I HA 0.515 4.687 4.170 0.004 0.000 0.291 370 I C -0.959 175.208 176.117 0.082 0.000 0.992 370 I CA -0.711 60.614 61.300 0.042 0.000 1.154 370 I CB 1.278 39.266 38.000 -0.019 0.000 1.315 370 I HN 0.543 nan 8.210 nan 0.000 0.448 371 L N 8.004 129.280 121.223 0.088 0.000 2.260 371 L HA 0.352 4.694 4.340 0.004 0.000 0.289 371 L C -0.510 176.394 176.870 0.057 0.000 1.057 371 L CA -0.465 54.438 54.840 0.106 0.000 0.811 371 L CB 1.215 43.331 42.059 0.095 0.000 1.184 371 L HN 0.393 nan 8.230 nan 0.000 0.429 372 V N 4.666 124.626 119.914 0.077 0.000 2.405 372 V HA 0.190 4.312 4.120 0.004 0.000 0.253 372 V C -1.971 174.170 176.094 0.078 0.000 0.963 372 V CA -0.699 61.617 62.300 0.026 0.000 1.003 372 V CB 0.897 32.691 31.823 -0.048 0.000 1.251 372 V HN 0.631 nan 8.190 nan 0.000 0.520 373 P HA 0.176 nan 4.420 nan 0.000 0.226 373 P C 0.313 177.708 177.300 0.158 0.000 1.758 373 P CA 0.075 63.360 63.100 0.308 0.000 0.896 373 P CB 0.085 32.018 31.700 0.389 0.000 1.784 374 S N 0.823 116.539 115.700 0.027 0.000 2.549 374 S HA 0.116 4.588 4.470 0.004 0.000 0.286 374 S C 1.665 176.283 174.600 0.029 0.000 1.314 374 S CA -0.261 57.924 58.200 -0.025 0.000 1.062 374 S CB 0.873 64.012 63.200 -0.102 0.000 0.865 374 S HN 0.268 nan 8.310 nan 0.000 0.498 375 R N 0.842 121.378 120.500 0.060 0.000 2.090 375 R HA 0.032 4.374 4.340 0.004 0.000 0.228 375 R C 0.147 176.683 176.300 0.395 0.000 1.110 375 R CA 1.029 57.248 56.100 0.199 0.000 0.973 375 R CB -0.057 30.387 30.300 0.238 0.000 0.869 375 R HN 0.735 nan 8.270 nan 0.000 0.440 376 F N -2.806 117.259 119.950 0.193 0.000 2.601 376 F HA 0.742 5.271 4.527 0.004 0.000 0.309 376 F C -1.185 174.661 175.800 0.077 0.000 1.089 376 F CA -1.544 56.614 58.000 0.263 0.000 0.940 376 F CB 1.820 41.113 39.000 0.487 0.000 1.273 376 F HN -0.247 nan 8.300 nan 0.000 0.450 377 A N 3.384 126.234 122.820 0.049 0.000 2.872 377 A HA 0.592 4.914 4.320 0.004 0.000 0.305 377 A C -2.631 174.766 177.584 -0.312 0.000 1.171 377 A CA -1.390 50.547 52.037 -0.166 0.000 0.782 377 A CB 0.617 19.527 19.000 -0.150 0.000 1.329 377 A HN 0.514 nan 8.150 nan 0.000 0.432 378 P HA -0.142 nan 4.420 nan 0.000 0.216 378 P C 1.252 178.326 177.300 -0.376 0.000 1.153 378 P CA 1.879 64.397 63.100 -0.971 0.000 0.858 378 P CB 0.426 31.631 31.700 -0.826 0.000 0.789 379 C N -3.906 115.236 119.300 -0.264 0.000 2.947 379 C HA 0.645 5.107 4.460 0.004 0.000 0.337 379 C C 0.742 175.580 174.990 -0.253 0.000 2.005 379 C CA 0.982 59.870 59.018 -0.217 0.000 2.072 379 C CB 0.080 27.719 27.740 -0.170 0.000 1.873 379 C HN 0.423 nan 8.230 nan 0.000 0.682 380 G N 2.054 110.701 108.800 -0.256 0.000 2.851 380 G HA2 -0.142 3.820 3.960 0.004 0.000 0.272 380 G HA3 -0.142 3.820 3.960 0.004 0.000 0.272 380 G C 0.182 174.830 174.900 -0.420 0.000 1.100 380 G CA 0.335 45.259 45.100 -0.294 0.000 1.197 380 G HN 0.630 nan 8.290 nan 0.000 0.561 381 L N 0.403 121.329 121.223 -0.494 0.000 2.083 381 L HA -0.117 4.225 4.340 0.004 0.000 0.209 381 L C 3.289 179.401 176.870 -1.263 0.000 1.083 381 L CA 2.378 56.712 54.840 -0.844 0.000 0.752 381 L CB -0.694 40.889 42.059 -0.793 0.000 0.899 381 L HN 0.748 nan 8.230 nan 0.000 0.433 382 T N -3.022 110.998 114.554 -0.890 0.000 2.849 382 T HA -0.290 4.062 4.350 0.004 0.000 0.270 382 T C 1.794 176.178 174.700 -0.526 0.000 1.066 382 T CA 1.372 63.030 62.100 -0.736 0.000 1.130 382 T CB -0.290 68.344 68.868 -0.389 0.000 0.864 382 T HN 0.375 nan 8.240 nan 0.000 0.481 383 Q N 1.160 120.689 119.800 -0.452 0.000 2.123 383 Q HA 0.008 4.350 4.340 0.004 0.000 0.199 383 Q C 2.352 178.156 176.000 -0.326 0.000 0.966 383 Q CA 1.077 56.693 55.803 -0.311 0.000 0.845 383 Q CB -0.370 28.211 28.738 -0.263 0.000 0.907 383 Q HN 0.655 nan 8.270 nan 0.000 0.439 384 L N 0.079 121.002 121.223 -0.500 0.000 2.141 384 L HA -0.173 4.169 4.340 0.004 0.000 0.209 384 L C 2.398 179.197 176.870 -0.118 0.000 1.094 384 L CA 0.968 55.535 54.840 -0.454 0.000 0.763 384 L CB -0.734 40.908 42.059 -0.696 0.000 0.908 384 L HN 0.167 nan 8.230 nan 0.000 0.437 385 Y N 0.488 120.599 120.300 -0.314 0.000 2.200 385 Y HA -0.068 4.484 4.550 0.003 0.000 0.290 385 Y C 2.638 178.502 175.900 -0.060 0.000 1.137 385 Y CA 0.575 58.511 58.100 -0.274 0.000 1.163 385 Y CB -1.617 36.348 38.460 -0.824 0.000 0.988 385 Y HN 0.080 nan 8.280 nan 0.000 0.518 386 G N 0.285 109.093 108.800 0.013 0.000 2.446 386 G HA2 -0.224 3.739 3.960 0.004 0.000 0.217 386 G HA3 -0.224 3.739 3.960 0.004 0.000 0.217 386 G C 1.836 176.809 174.900 0.123 0.000 1.168 386 G CA 1.065 46.199 45.100 0.056 0.000 0.771 386 G HN 0.352 nan 8.290 nan 0.000 0.551 387 L N 0.199 121.469 121.223 0.078 0.000 1.990 387 L HA -0.134 4.209 4.340 0.004 0.000 0.213 387 L C 2.792 179.754 176.870 0.153 0.000 1.072 387 L CA 1.906 56.804 54.840 0.096 0.000 0.755 387 L CB -0.371 41.767 42.059 0.131 0.000 0.889 387 L HN 0.244 nan 8.230 nan 0.000 0.432 388 K N -0.328 120.206 120.400 0.223 0.000 2.147 388 K HA -0.200 4.122 4.320 0.004 0.000 0.205 388 K C 1.610 178.293 176.600 0.138 0.000 1.049 388 K CA 1.560 57.962 56.287 0.192 0.000 0.936 388 K CB -0.267 32.385 32.500 0.253 0.000 0.722 388 K HN 0.292 nan 8.250 nan 0.000 0.446 389 Y N -0.321 120.060 120.300 0.135 0.000 2.461 389 Y HA 0.201 4.753 4.550 0.004 0.000 0.277 389 Y C 1.185 177.260 175.900 0.293 0.000 1.182 389 Y CA 0.151 58.378 58.100 0.211 0.000 1.276 389 Y CB 0.606 39.204 38.460 0.229 0.000 1.087 389 Y HN 0.285 nan 8.280 nan 0.000 0.519 390 G N 1.356 110.324 108.800 0.279 0.000 2.258 390 G HA2 -0.345 3.617 3.960 0.004 0.000 0.274 390 G HA3 -0.345 3.617 3.960 0.004 0.000 0.274 390 G C 0.317 175.343 174.900 0.209 0.000 1.021 390 G CA 0.823 46.043 45.100 0.200 0.000 0.798 390 G HN 0.419 nan 8.290 nan 0.000 0.507 391 T N -0.128 114.557 114.554 0.219 0.000 2.832 391 T HA 0.601 4.953 4.350 0.004 0.000 0.313 391 T C 0.669 175.427 174.700 0.096 0.000 1.035 391 T CA -0.933 61.271 62.100 0.173 0.000 0.950 391 T CB 0.402 69.365 68.868 0.158 0.000 0.984 391 T HN 0.486 nan 8.240 nan 0.000 0.486 392 L N 7.094 128.359 121.223 0.070 0.000 2.559 392 L HA 0.282 4.624 4.340 0.004 0.000 0.274 392 L C -1.792 175.108 176.870 0.050 0.000 1.205 392 L CA -1.669 53.150 54.840 -0.036 0.000 0.907 392 L CB 0.041 41.983 42.059 -0.195 0.000 1.153 392 L HN 0.490 nan 8.230 nan 0.000 0.490 393 P HA 0.196 nan 4.420 nan 0.000 0.284 393 P C -0.960 176.423 177.300 0.137 0.000 1.253 393 P CA -0.426 62.697 63.100 0.038 0.000 0.800 393 P CB 1.625 33.301 31.700 -0.039 0.000 0.961 394 L N 4.709 126.052 121.223 0.201 0.000 2.316 394 L HA 0.522 4.864 4.340 0.004 0.000 0.280 394 L C -0.484 176.531 176.870 0.242 0.000 1.006 394 L CA -0.795 54.227 54.840 0.303 0.000 0.836 394 L CB 1.082 43.339 42.059 0.330 0.000 1.221 394 L HN 0.224 nan 8.230 nan 0.000 0.418 395 V N 1.804 121.837 119.914 0.198 0.000 3.040 395 V HA 0.623 4.745 4.120 0.004 0.000 0.312 395 V C -0.548 175.421 176.094 -0.208 0.000 1.115 395 V CA -1.061 61.268 62.300 0.048 0.000 0.998 395 V CB 1.892 33.687 31.823 -0.048 0.000 1.042 395 V HN 0.833 nan 8.190 nan 0.000 0.433 396 R N 1.263 121.471 120.500 -0.485 0.000 2.410 396 R HA 0.411 4.753 4.340 0.004 0.000 0.288 396 R C 0.177 176.244 176.300 -0.388 0.000 1.051 396 R CA -0.653 54.909 56.100 -0.897 0.000 1.021 396 R CB 0.856 30.702 30.300 -0.757 0.000 1.032 396 R HN 0.871 nan 8.270 nan 0.000 0.481 397 R N 2.633 122.946 120.500 -0.312 0.000 2.878 397 R HA 0.033 4.375 4.340 0.004 0.000 0.239 397 R C -0.933 175.312 176.300 -0.093 0.000 1.515 397 R CA 0.409 56.419 56.100 -0.149 0.000 1.210 397 R CB 0.014 30.259 30.300 -0.092 0.000 1.209 397 R HN 0.520 nan 8.270 nan 0.000 0.610 398 T N 1.051 115.553 114.554 -0.087 0.000 2.889 398 T HA 0.528 4.881 4.350 0.004 0.000 0.315 398 T C 0.256 174.908 174.700 -0.079 0.000 1.291 398 T CA 0.432 62.505 62.100 -0.045 0.000 1.028 398 T CB 1.332 70.244 68.868 0.074 0.000 1.235 398 T HN 0.723 nan 8.240 nan 0.000 0.491 399 G N 2.274 111.008 108.800 -0.110 0.000 2.594 399 G HA2 -0.202 3.760 3.960 0.004 0.000 0.297 399 G HA3 -0.202 3.760 3.960 0.004 0.000 0.297 399 G C 1.245 176.087 174.900 -0.096 0.000 1.273 399 G CA 0.652 45.702 45.100 -0.083 0.000 0.974 399 G HN 1.729 nan 8.290 nan 0.000 0.552 400 G N -0.456 108.268 108.800 -0.127 0.000 2.448 400 G HA2 0.093 4.055 3.960 0.004 0.000 0.219 400 G HA3 0.093 4.055 3.960 0.004 0.000 0.219 400 G C 1.929 176.733 174.900 -0.160 0.000 1.127 400 G CA 1.367 46.381 45.100 -0.144 0.000 0.766 400 G HN 0.780 nan 8.290 nan 0.000 0.552 401 L N 0.536 121.663 121.223 -0.159 0.000 2.079 401 L HA -0.130 4.212 4.340 0.004 0.000 0.210 401 L C 3.286 180.085 176.870 -0.119 0.000 1.081 401 L CA 1.149 55.898 54.840 -0.151 0.000 0.752 401 L CB -0.482 41.491 42.059 -0.143 0.000 0.896 401 L HN 0.304 nan 8.230 nan 0.000 0.433 402 A N -0.586 122.172 122.820 -0.103 0.000 2.014 402 A HA -0.152 4.170 4.320 0.004 0.000 0.218 402 A C 1.834 179.378 177.584 -0.067 0.000 1.163 402 A CA 1.402 53.391 52.037 -0.081 0.000 0.652 402 A CB -0.271 18.684 19.000 -0.075 0.000 0.808 402 A HN 0.333 nan 8.150 nan 0.000 0.449 403 D N -0.861 119.495 120.400 -0.073 0.000 2.323 403 D HA -0.043 4.599 4.640 0.004 0.000 0.209 403 D C 1.788 178.072 176.300 -0.028 0.000 0.973 403 D CA 1.792 55.761 54.000 -0.051 0.000 0.874 403 D CB 0.113 40.880 40.800 -0.055 0.000 0.930 403 D HN 0.642 nan 8.370 nan 0.000 0.521 404 T N -3.205 111.318 114.554 -0.052 0.000 2.954 404 T HA 0.205 4.557 4.350 0.004 0.000 0.252 404 T C 0.625 175.325 174.700 0.000 0.000 0.983 404 T CA -0.225 61.873 62.100 -0.003 0.000 0.941 404 T CB 0.424 69.194 68.868 -0.163 0.000 1.141 404 T HN -0.215 nan 8.240 nan 0.000 0.500 405 V N 2.346 122.228 119.914 -0.055 0.000 2.472 405 V HA 0.627 4.749 4.120 0.004 0.000 0.290 405 V C -0.253 175.803 176.094 -0.063 0.000 1.037 405 V CA -0.696 61.566 62.300 -0.064 0.000 0.908 405 V CB 1.620 33.393 31.823 -0.083 0.000 0.985 405 V HN 0.357 nan 8.190 nan 0.000 0.454 406 S N 2.749 118.400 115.700 -0.082 0.000 2.474 406 S HA 0.296 4.768 4.470 0.004 0.000 0.321 406 S C -0.375 174.159 174.600 -0.110 0.000 1.080 406 S CA -0.500 57.652 58.200 -0.081 0.000 1.106 406 S CB 1.026 64.178 63.200 -0.079 0.000 0.984 406 S HN 0.908 nan 8.310 nan 0.000 0.464 407 D N 1.154 121.512 120.400 -0.070 0.000 2.419 407 D HA -0.015 4.628 4.640 0.004 0.000 0.236 407 D C -0.036 176.213 176.300 -0.084 0.000 1.165 407 D CA -0.286 53.678 54.000 -0.060 0.000 0.882 407 D CB 0.558 41.366 40.800 0.014 0.000 1.201 407 D HN 0.503 nan 8.370 nan 0.000 0.443 408 C N 3.704 122.939 119.300 -0.108 0.000 3.506 408 C HA 0.188 4.650 4.460 0.004 0.000 0.578 408 C C 0.666 175.675 174.990 0.031 0.000 1.153 408 C CA -0.350 58.626 59.018 -0.070 0.000 1.248 408 C CB -2.768 24.919 27.740 -0.089 0.000 1.532 408 C HN 0.465 nan 8.230 nan 0.000 0.646 409 S N -0.010 115.706 115.700 0.026 0.000 2.645 409 S HA 0.418 4.890 4.470 0.004 0.000 0.266 409 S C 1.150 175.775 174.600 0.043 0.000 1.258 409 S CA -0.679 57.548 58.200 0.045 0.000 0.990 409 S CB 0.736 63.958 63.200 0.036 0.000 0.967 409 S HN 0.483 nan 8.310 nan 0.000 0.556 410 L N 0.893 122.143 121.223 0.044 0.000 2.012 410 L HA -0.159 4.183 4.340 0.004 0.000 0.210 410 L C 3.015 179.905 176.870 0.033 0.000 1.073 410 L CA 1.986 56.849 54.840 0.038 0.000 0.748 410 L CB -0.780 41.299 42.059 0.033 0.000 0.891 410 L HN 0.894 nan 8.230 nan 0.000 0.431 411 E N -0.029 120.188 120.200 0.029 0.000 2.107 411 E HA -0.194 4.159 4.350 0.004 0.000 0.191 411 E C 1.569 178.185 176.600 0.027 0.000 0.982 411 E CA 1.134 57.548 56.400 0.024 0.000 0.809 411 E CB -0.535 29.177 29.700 0.019 0.000 0.756 411 E HN 0.441 nan 8.360 nan 0.000 0.459 412 N N 1.348 120.062 118.700 0.023 0.000 2.120 412 N HA -0.056 4.687 4.740 0.004 0.000 0.188 412 N C 2.224 177.766 175.510 0.053 0.000 1.024 412 N CA 1.068 54.128 53.050 0.017 0.000 0.852 412 N CB -0.438 38.044 38.487 -0.009 0.000 1.003 412 N HN 0.201 nan 8.380 nan 0.000 0.424 413 L N 0.572 121.842 121.223 0.079 0.000 2.012 413 L HA -0.140 4.202 4.340 0.004 0.000 0.210 413 L C 2.392 179.357 176.870 0.159 0.000 1.073 413 L CA 1.378 56.318 54.840 0.167 0.000 0.748 413 L CB -0.567 41.555 42.059 0.106 0.000 0.891 413 L HN 0.122 nan 8.230 nan 0.000 0.431 414 A N -0.368 122.495 122.820 0.072 0.000 1.933 414 A HA -0.218 4.105 4.320 0.004 0.000 0.218 414 A C 1.769 179.395 177.584 0.070 0.000 1.175 414 A CA 1.999 54.063 52.037 0.045 0.000 0.628 414 A CB -0.467 18.546 19.000 0.022 0.000 0.814 414 A HN 0.375 nan 8.150 nan 0.000 0.444 415 D N -1.101 119.338 120.400 0.066 0.000 2.349 415 D HA 0.242 4.884 4.640 0.004 0.000 0.224 415 D C 1.337 177.680 176.300 0.071 0.000 1.029 415 D CA 1.012 55.043 54.000 0.051 0.000 0.879 415 D CB -0.211 40.602 40.800 0.022 0.000 0.906 415 D HN 0.585 nan 8.370 nan 0.000 0.528 416 G N 1.007 109.895 108.800 0.147 0.000 2.198 416 G HA2 -0.305 3.658 3.960 0.004 0.000 0.260 416 G HA3 -0.305 3.658 3.960 0.004 0.000 0.260 416 G C 1.061 175.913 174.900 -0.079 0.000 1.025 416 G CA 0.754 45.925 45.100 0.118 0.000 0.769 416 G HN 0.457 nan 8.290 nan 0.000 0.507 417 V N -3.595 116.288 119.914 -0.053 0.000 3.643 417 V HA 0.752 4.874 4.120 0.004 0.000 0.280 417 V C 1.528 177.550 176.094 -0.120 0.000 1.351 417 V CA 0.792 63.035 62.300 -0.095 0.000 1.073 417 V CB -0.045 31.741 31.823 -0.062 0.000 0.863 417 V HN 1.643 nan 8.190 nan 0.000 0.436 418 A N 1.691 124.446 122.820 -0.108 0.000 2.540 418 A HA 0.504 4.826 4.320 0.004 0.000 0.239 418 A C 1.115 178.563 177.584 -0.227 0.000 1.061 418 A CA 0.815 52.767 52.037 -0.142 0.000 0.758 418 A CB 0.131 19.075 19.000 -0.095 0.000 0.991 418 A HN 1.359 nan 8.150 nan 0.000 0.502 419 S N 0.704 116.251 115.700 -0.254 0.000 2.800 419 S HA 0.537 5.009 4.470 0.004 0.000 0.266 419 S C 0.580 174.968 174.600 -0.353 0.000 1.029 419 S CA 0.550 58.586 58.200 -0.273 0.000 1.302 419 S CB -0.253 62.844 63.200 -0.172 0.000 1.212 419 S HN 2.154 nan 8.310 nan 0.000 0.683 420 G N 0.576 109.096 108.800 -0.467 0.000 2.435 420 G HA2 0.542 4.504 3.960 0.004 0.000 0.296 420 G HA3 0.542 4.504 3.960 0.004 0.000 0.296 420 G C -2.164 172.265 174.900 -0.785 0.000 1.240 420 G CA -0.776 43.936 45.100 -0.647 0.000 0.872 420 G HN 0.200 nan 8.290 nan 0.000 0.480 421 F N -0.192 119.747 119.950 -0.020 0.000 2.540 421 F HA 0.709 5.238 4.527 0.003 0.000 0.317 421 F C -0.034 175.809 175.800 0.072 0.000 1.104 421 F CA -0.960 57.061 58.000 0.036 0.000 0.913 421 F CB 2.730 41.772 39.000 0.070 0.000 1.170 421 F HN 0.250 nan 8.300 nan 0.000 0.450 422 V N 3.990 124.050 119.914 0.244 0.000 2.638 422 V HA 0.538 4.660 4.120 0.004 0.000 0.306 422 V C -0.640 175.589 176.094 0.226 0.000 1.052 422 V CA -0.919 61.472 62.300 0.151 0.000 0.885 422 V CB 1.651 33.500 31.823 0.042 0.000 0.999 422 V HN 0.643 nan 8.190 nan 0.000 0.424 423 F N 1.810 121.802 119.950 0.071 0.000 2.618 423 F HA 0.904 5.433 4.527 0.003 0.000 0.332 423 F C 0.685 176.529 175.800 0.073 0.000 1.061 423 F CA -0.783 57.255 58.000 0.063 0.000 0.974 423 F CB 1.893 40.918 39.000 0.042 0.000 1.310 423 F HN 0.330 nan 8.300 nan 0.000 0.491 424 E N -0.170 120.143 120.200 0.189 0.000 2.207 424 E HA 0.164 4.516 4.350 0.004 0.000 0.197 424 E C -0.744 175.919 176.600 0.105 0.000 0.914 424 E CA 0.731 57.178 56.400 0.079 0.000 0.914 424 E CB 0.171 29.961 29.700 0.150 0.000 0.893 424 E HN 0.647 nan 8.360 nan 0.000 0.479 425 D N -0.400 120.178 120.400 0.298 0.000 2.198 425 D HA 0.231 4.873 4.640 0.004 0.000 0.247 425 D C -0.641 175.885 176.300 0.376 0.000 1.010 425 D CA -0.279 53.883 54.000 0.270 0.000 0.880 425 D CB 1.836 42.785 40.800 0.248 0.000 1.209 425 D HN -0.215 nan 8.370 nan 0.000 0.451 426 S N 1.312 117.171 115.700 0.265 0.000 3.864 426 S HA 0.096 4.568 4.470 0.004 0.000 0.202 426 S C 0.156 174.889 174.600 0.222 0.000 1.402 426 S CA -0.454 57.910 58.200 0.273 0.000 1.072 426 S CB -1.122 62.189 63.200 0.186 0.000 1.383 426 S HN 0.453 nan 8.310 nan 0.000 0.458 427 N N -1.008 117.836 118.700 0.240 0.000 2.525 427 N HA 0.650 5.392 4.740 0.004 0.000 0.270 427 N C 0.477 176.041 175.510 0.090 0.000 1.321 427 N CA -0.658 52.486 53.050 0.157 0.000 0.797 427 N CB 0.595 39.178 38.487 0.161 0.000 1.529 427 N HN -0.082 nan 8.380 nan 0.000 0.491 428 A N -0.271 122.583 122.820 0.058 0.000 1.972 428 A HA -0.099 4.224 4.320 0.004 0.000 0.219 428 A C 1.622 179.195 177.584 -0.018 0.000 1.169 428 A CA 1.093 53.119 52.037 -0.018 0.000 0.635 428 A CB -1.227 17.771 19.000 -0.003 0.000 0.810 428 A HN 0.833 nan 8.150 nan 0.000 0.446 429 W N 0.432 121.687 121.300 -0.076 0.000 2.379 429 W HA -0.139 4.523 4.660 0.004 0.000 0.307 429 W C 2.636 179.107 176.519 -0.081 0.000 1.200 429 W CA 1.857 59.163 57.345 -0.066 0.000 1.297 429 W CB -0.326 29.118 29.460 -0.027 0.000 1.140 429 W HN 0.257 nan 8.180 nan 0.000 0.507 430 S N 0.337 116.138 115.700 0.168 0.000 2.359 430 S HA -0.246 4.226 4.470 0.004 0.000 0.224 430 S C 1.901 176.249 174.600 -0.421 0.000 1.035 430 S CA 1.681 59.896 58.200 0.025 0.000 1.018 430 S CB -0.934 62.473 63.200 0.345 0.000 0.876 430 S HN 0.313 nan 8.310 nan 0.000 0.448 431 L N 1.684 122.450 121.223 -0.762 0.000 2.012 431 L HA -0.015 4.327 4.340 0.004 0.000 0.210 431 L C 2.072 178.582 176.870 -0.600 0.000 1.073 431 L CA 1.768 55.918 54.840 -1.151 0.000 0.748 431 L CB -0.745 40.789 42.059 -0.874 0.000 0.891 431 L HN 0.383 nan 8.230 nan 0.000 0.431 432 L N -0.966 119.982 121.223 -0.459 0.000 2.131 432 L HA -0.175 4.167 4.340 0.004 0.000 0.210 432 L C 2.733 179.366 176.870 -0.395 0.000 1.092 432 L CA 0.621 55.232 54.840 -0.382 0.000 0.759 432 L CB -0.508 41.345 42.059 -0.342 0.000 0.903 432 L HN 0.254 nan 8.230 nan 0.000 0.435 433 R N -0.012 120.173 120.500 -0.525 0.000 2.073 433 R HA -0.083 4.259 4.340 0.004 0.000 0.234 433 R C 2.304 178.488 176.300 -0.194 0.000 1.134 433 R CA 1.476 57.325 56.100 -0.417 0.000 0.952 433 R CB -1.162 28.811 30.300 -0.546 0.000 0.850 433 R HN 0.346 nan 8.270 nan 0.000 0.433 434 A N 1.037 123.767 122.820 -0.149 0.000 1.902 434 A HA -0.119 4.203 4.320 0.004 0.000 0.217 434 A C 2.368 179.878 177.584 -0.123 0.000 1.181 434 A CA 1.327 53.349 52.037 -0.024 0.000 0.623 434 A CB -0.574 18.494 19.000 0.113 0.000 0.818 434 A HN 0.222 nan 8.150 nan 0.000 0.443 435 I N -1.149 119.331 120.570 -0.150 0.000 2.208 435 I HA -0.278 3.894 4.170 0.004 0.000 0.245 435 I C 2.802 178.967 176.117 0.080 0.000 1.097 435 I CA 1.326 62.574 61.300 -0.087 0.000 1.363 435 I CB -0.336 37.565 38.000 -0.165 0.000 1.051 435 I HN 0.272 nan 8.210 nan 0.000 0.413 436 R N 0.811 121.327 120.500 0.028 0.000 2.081 436 R HA -0.182 4.160 4.340 0.004 0.000 0.235 436 R C 2.362 178.731 176.300 0.115 0.000 1.131 436 R CA 1.483 57.641 56.100 0.096 0.000 0.960 436 R CB -0.490 29.789 30.300 -0.035 0.000 0.856 436 R HN 0.337 nan 8.270 nan 0.000 0.436 437 R N -0.043 120.473 120.500 0.026 0.000 2.105 437 R HA -0.131 4.211 4.340 0.004 0.000 0.239 437 R C 2.060 178.365 176.300 0.009 0.000 1.135 437 R CA 1.650 57.796 56.100 0.076 0.000 0.967 437 R CB -0.213 30.178 30.300 0.152 0.000 0.861 437 R HN 0.227 nan 8.270 nan 0.000 0.442 438 A N 0.069 122.655 122.820 -0.389 0.000 1.898 438 A HA -0.126 4.196 4.320 0.004 0.000 0.216 438 A C 1.938 179.554 177.584 0.054 0.000 1.181 438 A CA 1.134 52.837 52.037 -0.557 0.000 0.620 438 A CB -0.669 17.833 19.000 -0.831 0.000 0.819 438 A HN 0.376 nan 8.150 nan 0.000 0.442 439 F N -0.127 119.883 119.950 0.100 0.000 2.134 439 F HA -0.166 4.363 4.527 0.003 0.000 0.299 439 F C 2.441 178.372 175.800 0.219 0.000 1.097 439 F CA 1.538 59.633 58.000 0.158 0.000 1.264 439 F CB -0.436 38.607 39.000 0.070 0.000 1.001 439 F HN 0.031 nan 8.300 nan 0.000 0.479 440 V N -0.118 120.003 119.914 0.345 0.000 2.287 440 V HA -0.294 3.828 4.120 0.004 0.000 0.248 440 V C 2.269 178.553 176.094 0.316 0.000 1.053 440 V CA 1.715 64.179 62.300 0.273 0.000 1.027 440 V CB -0.689 31.256 31.823 0.204 0.000 0.646 440 V HN 0.271 nan 8.190 nan 0.000 0.447 441 L N -0.573 120.901 121.223 0.418 0.000 2.093 441 L HA -0.146 4.197 4.340 0.004 0.000 0.208 441 L C 2.157 179.413 176.870 0.644 0.000 1.085 441 L CA 1.850 57.007 54.840 0.527 0.000 0.755 441 L CB -0.631 41.818 42.059 0.650 0.000 0.904 441 L HN 0.534 nan 8.230 nan 0.000 0.435 442 W N -0.016 121.515 121.300 0.386 0.000 2.374 442 W HA -0.224 4.438 4.660 0.004 0.000 0.288 442 W C 2.305 178.818 176.519 -0.009 0.000 1.218 442 W CA 1.564 58.880 57.345 -0.049 0.000 1.245 442 W CB -0.226 29.024 29.460 -0.350 0.000 1.126 442 W HN 0.515 nan 8.180 nan 0.000 0.545 443 S N 0.587 116.396 115.700 0.181 0.000 2.603 443 S HA 0.008 4.480 4.470 0.004 0.000 0.229 443 S C 0.689 175.296 174.600 0.011 0.000 0.972 443 S CA 0.262 58.504 58.200 0.071 0.000 0.935 443 S CB -0.307 62.979 63.200 0.142 0.000 0.769 443 S HN 0.221 nan 8.310 nan 0.000 0.536 444 R N 1.126 121.649 120.500 0.039 0.000 2.494 444 R HA 0.365 4.707 4.340 0.004 0.000 0.284 444 R C -2.424 173.887 176.300 0.019 0.000 1.525 444 R CA -1.955 54.165 56.100 0.033 0.000 1.460 444 R CB 1.088 31.441 30.300 0.087 0.000 1.134 444 R HN 0.171 nan 8.270 nan 0.000 0.592 445 P HA -0.260 nan 4.420 nan 0.000 0.216 445 P C 1.306 178.615 177.300 0.015 0.000 1.153 445 P CA 1.519 64.531 63.100 -0.146 0.000 0.858 445 P CB 0.313 31.878 31.700 -0.224 0.000 0.789 446 S N -1.486 114.224 115.700 0.016 0.000 2.428 446 S HA -0.070 4.402 4.470 0.004 0.000 0.230 446 S C 1.977 176.640 174.600 0.104 0.000 1.014 446 S CA 0.662 58.892 58.200 0.049 0.000 0.957 446 S CB -1.397 61.808 63.200 0.007 0.000 0.784 446 S HN 0.041 nan 8.310 nan 0.000 0.499 447 L N -0.148 121.139 121.223 0.107 0.000 2.072 447 L HA -0.015 4.327 4.340 0.004 0.000 0.205 447 L C 2.664 179.680 176.870 0.244 0.000 1.079 447 L CA 1.413 56.342 54.840 0.149 0.000 0.752 447 L CB -0.464 41.665 42.059 0.118 0.000 0.906 447 L HN 0.551 nan 8.230 nan 0.000 0.436 448 W N 1.292 122.632 121.300 0.066 0.000 2.317 448 W HA -0.335 4.327 4.660 0.003 0.000 0.318 448 W C 2.674 179.231 176.519 0.063 0.000 1.227 448 W CA 2.050 59.437 57.345 0.070 0.000 1.269 448 W CB -0.313 29.141 29.460 -0.010 0.000 1.155 448 W HN 0.152 nan 8.180 nan 0.000 0.484 449 R N 0.405 121.094 120.500 0.316 0.000 2.083 449 R HA -0.242 4.100 4.340 0.004 0.000 0.237 449 R C 2.357 178.739 176.300 0.135 0.000 1.137 449 R CA 2.183 58.406 56.100 0.204 0.000 0.951 449 R CB -1.967 28.424 30.300 0.152 0.000 0.851 449 R HN 0.211 nan 8.270 nan 0.000 0.434 450 F N 0.030 119.980 119.950 0.001 0.000 2.091 450 F HA -0.212 4.317 4.527 0.004 0.000 0.299 450 F C 1.930 177.682 175.800 -0.080 0.000 1.103 450 F CA 1.929 59.910 58.000 -0.032 0.000 1.228 450 F CB -0.484 38.501 39.000 -0.025 0.000 0.984 450 F HN -0.097 nan 8.300 nan 0.000 0.477 451 V N 0.236 120.092 119.914 -0.098 0.000 2.358 451 V HA -0.300 3.822 4.120 0.004 0.000 0.246 451 V C 2.346 178.249 176.094 -0.318 0.000 1.047 451 V CA 2.097 64.216 62.300 -0.301 0.000 1.035 451 V CB -0.891 30.731 31.823 -0.335 0.000 0.658 451 V HN 0.388 nan 8.190 nan 0.000 0.452 452 Q N -0.157 119.488 119.800 -0.257 0.000 2.077 452 Q HA -0.244 4.098 4.340 0.004 0.000 0.206 452 Q C 2.533 178.470 176.000 -0.104 0.000 0.989 452 Q CA 1.951 57.668 55.803 -0.144 0.000 0.853 452 Q CB -0.211 28.527 28.738 0.000 0.000 0.907 452 Q HN 0.590 nan 8.270 nan 0.000 0.418 453 R N -0.073 120.359 120.500 -0.113 0.000 2.115 453 R HA -0.167 4.175 4.340 0.004 0.000 0.230 453 R C 2.269 178.462 176.300 -0.178 0.000 1.111 453 R CA 1.271 57.304 56.100 -0.111 0.000 0.976 453 R CB -0.142 30.104 30.300 -0.091 0.000 0.870 453 R HN 0.178 nan 8.270 nan 0.000 0.445 454 Q N 1.003 120.630 119.800 -0.288 0.000 2.083 454 Q HA -0.040 4.303 4.340 0.004 0.000 0.198 454 Q C 1.969 177.853 176.000 -0.193 0.000 0.969 454 Q CA 1.848 57.478 55.803 -0.288 0.000 0.838 454 Q CB -0.241 28.251 28.738 -0.410 0.000 0.900 454 Q HN 0.290 nan 8.270 nan 0.000 0.436 455 A N 0.448 123.162 122.820 -0.178 0.000 1.892 455 A HA -0.218 4.104 4.320 0.004 0.000 0.218 455 A C 2.091 179.647 177.584 -0.048 0.000 1.188 455 A CA 2.032 54.006 52.037 -0.106 0.000 0.631 455 A CB -0.684 18.251 19.000 -0.109 0.000 0.822 455 A HN 0.536 nan 8.150 nan 0.000 0.447 456 M N -0.630 118.943 119.600 -0.045 0.000 2.557 456 M HA -0.016 4.466 4.480 0.004 0.000 0.259 456 M C 2.075 178.339 176.300 -0.061 0.000 1.086 456 M CA 0.860 56.146 55.300 -0.023 0.000 1.096 456 M CB -0.182 32.416 32.600 -0.003 0.000 1.424 456 M HN 0.492 nan 8.290 nan 0.000 0.488 457 A N -0.200 122.561 122.820 -0.098 0.000 2.132 457 A HA 0.148 4.470 4.320 0.004 0.000 0.213 457 A C 1.142 178.628 177.584 -0.164 0.000 1.154 457 A CA 0.257 52.222 52.037 -0.121 0.000 0.753 457 A CB -0.017 18.904 19.000 -0.132 0.000 0.826 457 A HN 0.252 nan 8.150 nan 0.000 0.469 458 M N 1.000 120.493 119.600 -0.178 0.000 2.249 458 M HA 0.173 4.655 4.480 0.004 0.000 0.340 458 M C -0.798 175.206 176.300 -0.494 0.000 1.166 458 M CA 0.229 55.328 55.300 -0.334 0.000 1.115 458 M CB -0.018 32.447 32.600 -0.225 0.000 1.606 458 M HN 0.240 nan 8.290 nan 0.000 0.448 459 D N 2.345 122.291 120.400 -0.757 0.000 2.505 459 D HA 0.555 5.197 4.640 0.004 0.000 0.249 459 D C -1.746 173.983 176.300 -0.952 0.000 1.082 459 D CA -0.211 53.413 54.000 -0.627 0.000 0.839 459 D CB 0.870 41.479 40.800 -0.318 0.000 1.317 459 D HN 0.334 nan 8.370 nan 0.000 0.497 460 F N 2.058 121.946 119.950 -0.104 0.000 2.646 460 F HA 0.297 4.826 4.527 0.004 0.000 0.364 460 F C 0.110 175.785 175.800 -0.209 0.000 1.137 460 F CA -0.918 56.977 58.000 -0.176 0.000 1.085 460 F CB 1.772 40.651 39.000 -0.201 0.000 1.331 460 F HN 0.141 nan 8.300 nan 0.000 0.472 461 S N 2.264 117.919 115.700 -0.076 0.000 2.437 461 S HA 0.236 4.708 4.470 0.004 0.000 0.305 461 S C 0.552 175.133 174.600 -0.032 0.000 1.109 461 S CA -0.555 57.625 58.200 -0.033 0.000 1.099 461 S CB 0.661 63.860 63.200 -0.003 0.000 1.004 461 S HN 0.719 nan 8.310 nan 0.000 0.475 462 W N 2.797 124.172 121.300 0.126 0.000 2.402 462 W HA -0.067 4.595 4.660 0.004 0.000 0.286 462 W C 2.427 179.026 176.519 0.132 0.000 1.221 462 W CA 0.494 57.922 57.345 0.138 0.000 1.257 462 W CB 0.085 29.626 29.460 0.136 0.000 1.120 462 W HN 0.750 nan 8.180 nan 0.000 0.551 463 Q N -0.404 119.585 119.800 0.315 0.000 2.172 463 Q HA -0.149 4.193 4.340 0.004 0.000 0.200 463 Q C 2.098 178.198 176.000 0.167 0.000 0.964 463 Q CA 1.350 57.289 55.803 0.227 0.000 0.855 463 Q CB -0.368 28.468 28.738 0.165 0.000 0.918 463 Q HN 0.183 nan 8.270 nan 0.000 0.444 464 V N 0.948 120.931 119.914 0.115 0.000 2.343 464 V HA -0.276 3.846 4.120 0.004 0.000 0.247 464 V C 2.274 178.412 176.094 0.072 0.000 1.051 464 V CA 1.864 64.201 62.300 0.061 0.000 1.036 464 V CB -0.916 30.910 31.823 0.005 0.000 0.654 464 V HN 0.380 nan 8.190 nan 0.000 0.451 465 A N 0.092 122.982 122.820 0.116 0.000 1.902 465 A HA -0.135 4.187 4.320 0.004 0.000 0.217 465 A C 2.444 180.178 177.584 0.250 0.000 1.181 465 A CA 2.072 54.195 52.037 0.142 0.000 0.623 465 A CB -0.827 18.340 19.000 0.278 0.000 0.818 465 A HN 0.581 nan 8.150 nan 0.000 0.443 466 A N -0.278 122.765 122.820 0.372 0.000 1.940 466 A HA -0.220 4.102 4.320 0.004 0.000 0.219 466 A C 2.120 179.850 177.584 0.243 0.000 1.176 466 A CA 2.135 54.405 52.037 0.388 0.000 0.631 466 A CB -0.461 18.734 19.000 0.326 0.000 0.814 466 A HN 0.575 nan 8.150 nan 0.000 0.446 467 K N -0.296 120.194 120.400 0.150 0.000 2.097 467 K HA -0.097 4.225 4.320 0.004 0.000 0.205 467 K C 2.213 178.829 176.600 0.027 0.000 1.050 467 K CA 1.490 57.830 56.287 0.088 0.000 0.938 467 K CB -0.142 32.393 32.500 0.059 0.000 0.718 467 K HN 0.455 nan 8.250 nan 0.000 0.442 468 S N -0.040 115.637 115.700 -0.039 0.000 2.355 468 S HA -0.123 4.349 4.470 0.004 0.000 0.222 468 S C 1.708 176.191 174.600 -0.196 0.000 1.031 468 S CA 1.186 59.300 58.200 -0.144 0.000 0.993 468 S CB -0.423 62.633 63.200 -0.240 0.000 0.859 468 S HN 0.356 nan 8.310 nan 0.000 0.453 469 Y N 1.518 121.760 120.300 -0.096 0.000 2.165 469 Y HA -0.153 4.399 4.550 0.004 0.000 0.286 469 Y C 2.727 178.236 175.900 -0.651 0.000 1.155 469 Y CA 1.424 59.308 58.100 -0.361 0.000 1.164 469 Y CB -0.198 38.130 38.460 -0.220 0.000 0.978 469 Y HN 0.123 nan 8.280 nan 0.000 0.513 470 R N 0.888 121.334 120.500 -0.091 0.000 2.083 470 R HA -0.206 4.137 4.340 0.004 0.000 0.237 470 R C 1.892 178.291 176.300 0.164 0.000 1.137 470 R CA 2.056 58.215 56.100 0.098 0.000 0.951 470 R CB -0.211 30.237 30.300 0.248 0.000 0.851 470 R HN 0.403 nan 8.270 nan 0.000 0.434 471 E N 0.302 120.541 120.200 0.066 0.000 2.085 471 E HA -0.231 4.121 4.350 0.004 0.000 0.194 471 E C 1.975 178.600 176.600 0.043 0.000 0.994 471 E CA 1.352 57.792 56.400 0.068 0.000 0.801 471 E CB -0.197 29.503 29.700 0.000 0.000 0.743 471 E HN 0.224 nan 8.360 nan 0.000 0.453 472 L N 0.450 121.623 121.223 -0.083 0.000 2.012 472 L HA -0.212 4.130 4.340 0.004 0.000 0.210 472 L C 2.017 178.880 176.870 -0.012 0.000 1.073 472 L CA 1.787 56.542 54.840 -0.142 0.000 0.748 472 L CB -0.666 41.237 42.059 -0.259 0.000 0.891 472 L HN 0.108 nan 8.230 nan 0.000 0.431 473 Y N -1.348 118.965 120.300 0.022 0.000 2.207 473 Y HA -0.232 4.320 4.550 0.003 0.000 0.287 473 Y C 2.461 178.289 175.900 -0.121 0.000 1.156 473 Y CA 1.275 59.332 58.100 -0.071 0.000 1.182 473 Y CB -1.353 37.041 38.460 -0.111 0.000 0.979 473 Y HN 0.232 nan 8.280 nan 0.000 0.521 474 Y N -0.675 119.717 120.300 0.154 0.000 2.457 474 Y HA -0.056 4.496 4.550 0.004 0.000 0.292 474 Y C 2.353 178.280 175.900 0.046 0.000 1.125 474 Y CA 0.799 58.951 58.100 0.086 0.000 1.254 474 Y CB -0.234 38.267 38.460 0.068 0.000 1.012 474 Y HN -0.058 nan 8.280 nan 0.000 0.555 475 R N -0.240 120.352 120.500 0.153 0.000 2.236 475 R HA 0.028 4.370 4.340 0.004 0.000 0.208 475 R C 0.452 176.786 176.300 0.057 0.000 1.036 475 R CA 0.141 56.290 56.100 0.081 0.000 1.001 475 R CB -0.141 30.178 30.300 0.032 0.000 0.896 475 R HN 0.230 nan 8.270 nan 0.000 0.464 476 L N 0.000 121.253 121.223 0.050 0.000 2.949 476 L HA 0.000 4.342 4.340 0.004 0.000 0.249 476 L CA 0.000 54.863 54.840 0.039 0.000 0.813 476 L CB 0.000 42.081 42.059 0.036 0.000 0.961 476 L HN 0.000 nan 8.230 nan 0.000 0.502