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 3d1j_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQVLHVSSEM FPLLKTGGLA DVIGALPAAQ IADGVDARVL LPAFPDIRRG DATA SEQUENCE VTDAQVVSRR DTFAGHITLL FGHYNGVGIY LIDAPHLYDR PGSPYHDTNL DATA SEQUENCE FAYTDNVLRF ALLGWVGAEM ASGLDPFWRP DVVHAHDWHA GLAPAYLAAR DATA SEQUENCE GRPAKSVFTV HNLAYQGMFY AHHMNDIQLP WSFFNIHGLE FNGQISFLKA DATA SEQUENCE GLYYADHITA VSPTYAREIT EPQFAYGMEG LLQQRHREGR LSGVLNGVDE DATA SEQUENCE KIWSPETDLL LASRYTRDTL EDKAENKRQL QIAMGLKVDD KVPLFAVVSR DATA SEQUENCE LTSQKGLDLV LEALPGLLEQ GGQLALLGAG DPVLQEGFLA AAAEYPGQVG DATA SEQUENCE VQIGYHEAFS HRIMGGADVI LVPSRFEPCG LTQLYGLKYG TLPLVRRTGG DATA SEQUENCE LADTVSDSSL ENLADGVASG FVFEDSNAWS LLRAIRRAFV LWSRPSLWRF DATA SEQUENCE VQRQAMAMDF SWQVAAKSYR ELYYR 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 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.565 32.600 -0.058 0.000 1.302 2 Q N 3.042 122.757 119.800 -0.141 0.000 2.303 2 Q HA 0.671 5.014 4.340 0.005 0.000 0.267 2 Q C -1.525 174.371 176.000 -0.173 0.000 1.011 2 Q CA -0.926 54.803 55.803 -0.123 0.000 0.740 2 Q CB 2.536 30.996 28.738 -0.464 0.000 1.250 2 Q HN 0.603 nan 8.270 nan 0.000 0.458 3 V N 2.555 122.458 119.914 -0.018 0.000 2.630 3 V HA 0.542 4.664 4.120 0.005 0.000 0.305 3 V C -0.620 175.534 176.094 0.100 0.000 1.046 3 V CA -0.976 61.227 62.300 -0.162 0.000 0.934 3 V CB 1.736 33.336 31.823 -0.372 0.000 1.003 3 V HN 0.590 nan 8.190 nan 0.000 0.451 4 L N 3.538 124.775 121.223 0.023 0.000 2.343 4 L HA 0.565 4.908 4.340 0.005 0.000 0.278 4 L C -0.355 176.531 176.870 0.027 0.000 0.996 4 L CA -0.075 54.863 54.840 0.163 0.000 0.831 4 L CB 1.137 43.340 42.059 0.240 0.000 1.232 4 L HN 0.645 nan 8.230 nan 0.000 0.413 5 H N 4.555 123.757 119.070 0.220 0.000 2.646 5 H HA 0.407 4.966 4.556 0.005 0.000 0.325 5 H C -0.831 174.640 175.328 0.237 0.000 1.075 5 H CA -0.261 55.936 56.048 0.248 0.000 1.421 5 H CB 1.644 31.517 29.762 0.185 0.000 1.461 5 H HN 0.387 nan 8.280 nan 0.000 0.525 6 V N 3.276 123.435 119.914 0.407 0.000 2.350 6 V HA 0.264 4.387 4.120 0.005 0.000 0.285 6 V C 0.339 176.646 176.094 0.355 0.000 1.014 6 V CA -0.396 62.090 62.300 0.310 0.000 0.831 6 V CB 1.224 33.203 31.823 0.260 0.000 1.000 6 V HN 0.757 nan 8.190 nan 0.000 0.433 7 S N 2.922 118.766 115.700 0.239 0.000 2.851 7 S HA 0.589 5.062 4.470 0.005 0.000 0.313 7 S C 0.829 175.482 174.600 0.088 0.000 1.163 7 S CA 0.263 58.569 58.200 0.176 0.000 0.850 7 S CB 2.226 65.462 63.200 0.059 0.000 1.245 7 S HN 0.899 nan 8.310 nan 0.000 0.558 8 S N -0.065 115.638 115.700 0.004 0.000 2.559 8 S HA 0.392 4.865 4.470 0.005 0.000 0.226 8 S C -0.038 174.622 174.600 0.099 0.000 1.000 8 S CA -0.067 58.134 58.200 0.002 0.000 0.948 8 S CB -0.510 62.488 63.200 -0.337 0.000 0.870 8 S HN 0.819 nan 8.310 nan 0.000 0.497 9 E N 0.023 120.236 120.200 0.022 0.000 2.416 9 E HA 0.584 4.937 4.350 0.005 0.000 0.280 9 E C -1.520 175.059 176.600 -0.035 0.000 1.055 9 E CA -1.100 55.312 56.400 0.019 0.000 0.825 9 E CB 1.067 30.769 29.700 0.004 0.000 1.312 9 E HN 0.180 nan 8.360 nan 0.000 0.452 10 M N 2.760 122.335 119.600 -0.042 0.000 2.310 10 M HA 0.287 4.770 4.480 0.005 0.000 0.242 10 M C -1.894 174.392 176.300 -0.023 0.000 1.000 10 M CA -0.683 54.586 55.300 -0.052 0.000 0.970 10 M CB 1.293 33.833 32.600 -0.099 0.000 2.191 10 M HN 0.749 nan 8.290 nan 0.000 0.470 11 F N 8.380 128.283 119.950 -0.077 0.000 2.629 11 F HA 0.259 4.789 4.527 0.005 0.000 0.369 11 F C -1.677 174.109 175.800 -0.022 0.000 1.125 11 F CA -0.019 57.959 58.000 -0.036 0.000 1.330 11 F CB 0.852 39.855 39.000 0.005 0.000 1.071 11 F HN 0.434 nan 8.300 nan 0.000 0.595 12 P HA 0.087 nan 4.420 nan 0.000 0.267 12 P C 1.291 178.259 177.300 -0.553 0.000 1.289 12 P CA 0.467 62.699 63.100 -1.446 0.000 0.866 12 P CB 0.182 30.893 31.700 -1.647 0.000 1.309 13 L N -1.098 119.885 121.223 -0.400 0.000 2.201 13 L HA 0.046 4.389 4.340 0.005 0.000 0.212 13 L C 0.971 177.729 176.870 -0.187 0.000 1.105 13 L CA 1.061 55.717 54.840 -0.307 0.000 0.775 13 L CB -0.222 41.598 42.059 -0.398 0.000 0.913 13 L HN 0.053 nan 8.230 nan 0.000 0.440 14 L N -0.680 120.457 121.223 -0.143 0.000 2.666 14 L HA 0.396 4.739 4.340 0.005 0.000 0.259 14 L C -1.126 175.721 176.870 -0.040 0.000 0.919 14 L CA -0.357 54.430 54.840 -0.089 0.000 0.927 14 L CB 1.519 43.531 42.059 -0.078 0.000 1.423 14 L HN -0.124 nan 8.230 nan 0.000 0.426 15 K N 1.935 122.324 120.400 -0.019 0.000 2.543 15 K HA 0.666 4.989 4.320 0.005 0.000 0.255 15 K C -0.789 175.799 176.600 -0.019 0.000 0.934 15 K CA 0.234 56.540 56.287 0.031 0.000 0.810 15 K CB 2.117 34.716 32.500 0.166 0.000 1.315 15 K HN 0.702 nan 8.250 nan 0.000 0.433 16 T N -0.867 113.660 114.554 -0.044 0.000 3.403 16 T HA 0.441 4.794 4.350 0.005 0.000 0.308 16 T C 0.233 174.907 174.700 -0.042 0.000 0.952 16 T CA 0.111 62.154 62.100 -0.095 0.000 0.970 16 T CB 0.602 69.323 68.868 -0.244 0.000 1.189 16 T HN 0.740 nan 8.240 nan 0.000 0.528 17 G N -0.533 108.280 108.800 0.021 0.000 2.328 17 G HA2 0.463 4.426 3.960 0.005 0.000 0.295 17 G HA3 0.463 4.426 3.960 0.005 0.000 0.295 17 G C 0.465 175.406 174.900 0.069 0.000 1.413 17 G CA -0.088 45.048 45.100 0.060 0.000 0.817 17 G HN 0.328 nan 8.290 nan 0.000 0.546 18 G N -0.504 108.344 108.800 0.079 0.000 2.534 18 G HA2 0.073 4.035 3.960 0.005 0.000 0.217 18 G HA3 0.073 4.035 3.960 0.005 0.000 0.217 18 G C 1.704 176.614 174.900 0.016 0.000 1.128 18 G CA 1.001 46.147 45.100 0.077 0.000 0.784 18 G HN 0.704 nan 8.290 nan 0.000 0.542 19 L N 0.721 121.905 121.223 -0.066 0.000 2.013 19 L HA -0.162 4.181 4.340 0.005 0.000 0.212 19 L C 2.961 179.696 176.870 -0.226 0.000 1.073 19 L CA 1.900 56.545 54.840 -0.324 0.000 0.753 19 L CB -0.332 41.573 42.059 -0.257 0.000 0.890 19 L HN 0.317 nan 8.230 nan 0.000 0.432 20 A N -0.808 121.964 122.820 -0.080 0.000 2.172 20 A HA -0.190 4.133 4.320 0.005 0.000 0.216 20 A C 1.709 179.310 177.584 0.027 0.000 1.154 20 A CA 1.571 53.593 52.037 -0.026 0.000 0.701 20 A CB -0.417 18.614 19.000 0.052 0.000 0.789 20 A HN 0.570 nan 8.150 nan 0.000 0.465 21 D N -0.336 120.077 120.400 0.022 0.000 2.213 21 D HA -0.032 4.611 4.640 0.005 0.000 0.205 21 D C 2.067 178.329 176.300 -0.063 0.000 0.961 21 D CA 1.097 55.111 54.000 0.024 0.000 0.853 21 D CB -0.186 40.658 40.800 0.073 0.000 0.967 21 D HN 0.263 nan 8.370 nan 0.000 0.496 22 V N 1.588 121.455 119.914 -0.078 0.000 2.233 22 V HA -0.239 3.884 4.120 0.005 0.000 0.247 22 V C 2.453 178.243 176.094 -0.508 0.000 1.050 22 V CA 1.158 63.300 62.300 -0.263 0.000 1.010 22 V CB -0.370 31.416 31.823 -0.062 0.000 0.637 22 V HN 0.080 nan 8.190 nan 0.000 0.444 23 I N 1.605 121.919 120.570 -0.427 0.000 2.264 23 I HA -0.148 4.025 4.170 0.005 0.000 0.248 23 I C 2.476 178.424 176.117 -0.281 0.000 1.111 23 I CA 1.715 62.762 61.300 -0.421 0.000 1.382 23 I CB -1.538 36.275 38.000 -0.312 0.000 1.060 23 I HN 0.327 nan 8.210 nan 0.000 0.418 24 G N -0.809 107.887 108.800 -0.172 0.000 2.484 24 G HA2 0.048 4.011 3.960 0.005 0.000 0.218 24 G HA3 0.048 4.011 3.960 0.005 0.000 0.218 24 G C 1.556 176.363 174.900 -0.154 0.000 1.130 24 G CA 0.793 45.865 45.100 -0.046 0.000 0.784 24 G HN 0.508 nan 8.290 nan 0.000 0.543 25 A N -0.614 121.941 122.820 -0.442 0.000 2.138 25 A HA 0.468 4.791 4.320 0.005 0.000 0.203 25 A C 1.998 179.054 177.584 -0.879 0.000 1.286 25 A CA -0.008 51.612 52.037 -0.696 0.000 0.929 25 A CB -0.087 18.319 19.000 -0.989 0.000 0.975 25 A HN 0.229 nan 8.150 nan 0.000 0.480 26 L N 0.356 121.013 121.223 -0.944 0.000 2.027 26 L HA -0.050 4.293 4.340 0.005 0.000 0.206 26 L C -0.843 175.929 176.870 -0.164 0.000 1.074 26 L CA 1.767 56.283 54.840 -0.539 0.000 0.745 26 L CB -0.793 41.004 42.059 -0.436 0.000 0.898 26 L HN 0.202 nan 8.230 nan 0.000 0.433 27 P HA -0.144 nan 4.420 nan 0.000 0.216 27 P C 1.388 178.730 177.300 0.070 0.000 1.153 27 P CA 1.757 64.885 63.100 0.047 0.000 0.848 27 P CB -0.064 31.665 31.700 0.048 0.000 0.787 28 A N -0.006 122.819 122.820 0.009 0.000 1.933 28 A HA -0.121 4.202 4.320 0.005 0.000 0.218 28 A C 2.311 179.944 177.584 0.081 0.000 1.175 28 A CA 2.062 54.125 52.037 0.043 0.000 0.628 28 A CB -1.600 17.412 19.000 0.019 0.000 0.814 28 A HN 0.193 nan 8.150 nan 0.000 0.444 29 A N -0.455 122.415 122.820 0.084 0.000 1.877 29 A HA -0.239 4.084 4.320 0.005 0.000 0.216 29 A C 2.115 179.810 177.584 0.185 0.000 1.186 29 A CA 1.700 53.836 52.037 0.164 0.000 0.620 29 A CB -0.692 18.459 19.000 0.253 0.000 0.822 29 A HN 0.654 nan 8.150 nan 0.000 0.443 30 Q N -0.617 119.309 119.800 0.210 0.000 2.077 30 Q HA -0.201 4.142 4.340 0.005 0.000 0.206 30 Q C 2.041 178.167 176.000 0.210 0.000 0.989 30 Q CA 1.557 57.511 55.803 0.251 0.000 0.853 30 Q CB -0.462 28.468 28.738 0.321 0.000 0.907 30 Q HN 0.592 nan 8.270 nan 0.000 0.418 31 I N 0.802 121.478 120.570 0.177 0.000 2.194 31 I HA -0.251 3.922 4.170 0.005 0.000 0.246 31 I C 2.202 178.401 176.117 0.137 0.000 1.093 31 I CA 1.554 62.947 61.300 0.155 0.000 1.355 31 I CB -1.517 36.558 38.000 0.124 0.000 1.046 31 I HN 0.153 nan 8.210 nan 0.000 0.413 32 A N -0.505 122.391 122.820 0.125 0.000 2.206 32 A HA -0.136 4.187 4.320 0.005 0.000 0.211 32 A C 1.488 179.140 177.584 0.113 0.000 1.158 32 A CA 1.130 53.231 52.037 0.107 0.000 0.761 32 A CB -0.600 18.458 19.000 0.097 0.000 0.801 32 A HN 0.421 nan 8.150 nan 0.000 0.473 33 D N -1.940 118.544 120.400 0.139 0.000 2.643 33 D HA 0.371 5.014 4.640 0.005 0.000 0.244 33 D C 1.063 177.457 176.300 0.157 0.000 1.257 33 D CA 0.661 54.746 54.000 0.142 0.000 0.831 33 D CB -0.334 40.566 40.800 0.167 0.000 1.043 33 D HN 0.353 nan 8.370 nan 0.000 0.488 34 G N -0.236 108.654 108.800 0.150 0.000 2.179 34 G HA2 -0.241 3.722 3.960 0.005 0.000 0.260 34 G HA3 -0.241 3.722 3.960 0.005 0.000 0.260 34 G C 0.163 175.190 174.900 0.211 0.000 0.977 34 G CA 0.378 45.575 45.100 0.162 0.000 0.641 34 G HN 0.365 nan 8.290 nan 0.000 0.533 35 V N 1.099 121.152 119.914 0.232 0.000 2.409 35 V HA 0.478 4.601 4.120 0.005 0.000 0.291 35 V C -0.296 175.943 176.094 0.241 0.000 1.020 35 V CA -0.698 61.757 62.300 0.259 0.000 0.848 35 V CB 1.803 33.827 31.823 0.335 0.000 0.990 35 V HN 0.287 nan 8.190 nan 0.000 0.430 36 D N 4.677 125.222 120.400 0.242 0.000 2.402 36 D HA 0.457 5.100 4.640 0.005 0.000 0.235 36 D C 0.106 176.621 176.300 0.358 0.000 1.226 36 D CA 0.180 54.356 54.000 0.294 0.000 0.918 36 D CB 0.949 41.962 40.800 0.355 0.000 1.043 36 D HN 0.707 nan 8.370 nan 0.000 0.506 37 A N 4.436 127.430 122.820 0.290 0.000 2.317 37 A HA 0.798 5.121 4.320 0.005 0.000 0.327 37 A C 0.092 177.816 177.584 0.233 0.000 1.178 37 A CA -0.669 51.545 52.037 0.296 0.000 0.817 37 A CB 1.027 20.220 19.000 0.322 0.000 1.189 37 A HN 0.588 nan 8.150 nan 0.000 0.489 38 R N 0.182 120.824 120.500 0.237 0.000 2.855 38 R HA 0.732 5.074 4.340 0.005 0.000 0.266 38 R C -1.661 174.777 176.300 0.230 0.000 1.034 38 R CA -0.668 55.510 56.100 0.130 0.000 0.944 38 R CB 2.581 32.818 30.300 -0.106 0.000 1.219 38 R HN 0.534 nan 8.270 nan 0.000 0.474 39 V N 1.982 122.013 119.914 0.195 0.000 2.709 39 V HA 0.491 4.614 4.120 0.005 0.000 0.308 39 V C -1.203 175.027 176.094 0.228 0.000 1.062 39 V CA -0.942 61.478 62.300 0.201 0.000 0.901 39 V CB 1.795 33.675 31.823 0.095 0.000 1.003 39 V HN 0.517 nan 8.190 nan 0.000 0.425 40 L N 5.708 127.057 121.223 0.210 0.000 2.333 40 L HA 0.852 5.195 4.340 0.005 0.000 0.280 40 L C -1.152 175.775 176.870 0.094 0.000 1.004 40 L CA 0.093 55.041 54.840 0.180 0.000 0.820 40 L CB 1.269 43.410 42.059 0.138 0.000 1.247 40 L HN 0.641 nan 8.230 nan 0.000 0.416 41 L N 5.594 126.830 121.223 0.023 0.000 2.434 41 L HA 0.664 5.007 4.340 0.005 0.000 0.260 41 L C -2.323 174.411 176.870 -0.226 0.000 0.983 41 L CA -1.895 52.900 54.840 -0.075 0.000 0.820 41 L CB 2.208 44.218 42.059 -0.082 0.000 1.361 41 L HN 0.436 nan 8.230 nan 0.000 0.410 42 P HA 0.001 nan 4.420 nan 0.000 0.269 42 P C -0.707 176.101 177.300 -0.820 0.000 1.211 42 P CA -0.192 62.271 63.100 -1.063 0.000 0.781 42 P CB 0.537 30.896 31.700 -2.235 0.000 0.877 43 A N 2.746 125.195 122.820 -0.619 0.000 3.215 43 A HA 0.307 4.630 4.320 0.005 0.000 0.269 43 A C -0.078 177.356 177.584 -0.251 0.000 1.517 43 A CA -0.516 51.346 52.037 -0.293 0.000 1.221 43 A CB -1.542 17.402 19.000 -0.094 0.000 1.160 43 A HN 0.408 nan 8.150 nan 0.000 0.620 44 F N 0.402 120.244 119.950 -0.180 0.000 2.602 44 F HA 0.098 4.627 4.527 0.004 0.000 0.367 44 F C -0.970 174.787 175.800 -0.073 0.000 1.126 44 F CA -1.327 56.608 58.000 -0.109 0.000 1.321 44 F CB 0.360 39.288 39.000 -0.120 0.000 1.094 44 F HN 0.332 nan 8.300 nan 0.000 0.594 45 P HA -0.247 nan 4.420 nan 0.000 0.214 45 P C 0.742 178.060 177.300 0.029 0.000 1.169 45 P CA 1.983 65.124 63.100 0.068 0.000 0.908 45 P CB -0.015 31.721 31.700 0.061 0.000 0.791 46 D N -1.933 118.480 120.400 0.022 0.000 2.349 46 D HA -0.042 4.601 4.640 0.005 0.000 0.224 46 D C 1.735 177.999 176.300 -0.059 0.000 1.029 46 D CA 0.356 54.340 54.000 -0.026 0.000 0.879 46 D CB -0.940 39.835 40.800 -0.042 0.000 0.906 46 D HN 0.152 nan 8.370 nan 0.000 0.528 47 I N 0.353 120.913 120.570 -0.016 0.000 2.233 47 I HA -0.120 4.053 4.170 0.005 0.000 0.243 47 I C 2.516 178.566 176.117 -0.112 0.000 1.093 47 I CA 0.642 61.895 61.300 -0.078 0.000 1.380 47 I CB -0.380 37.614 38.000 -0.011 0.000 1.067 47 I HN 0.078 nan 8.210 nan 0.000 0.413 48 R N 1.107 121.570 120.500 -0.062 0.000 2.092 48 R HA -0.138 4.205 4.340 0.005 0.000 0.231 48 R C 2.388 178.652 176.300 -0.060 0.000 1.119 48 R CA 1.172 57.233 56.100 -0.065 0.000 0.970 48 R CB -0.058 30.220 30.300 -0.036 0.000 0.864 48 R HN 0.182 nan 8.270 nan 0.000 0.440 49 R N -0.805 119.666 120.500 -0.050 0.000 2.120 49 R HA -0.067 4.276 4.340 0.005 0.000 0.234 49 R C 2.176 178.454 176.300 -0.037 0.000 1.123 49 R CA 1.376 57.454 56.100 -0.037 0.000 0.975 49 R CB -0.334 29.948 30.300 -0.030 0.000 0.866 49 R HN 0.387 nan 8.270 nan 0.000 0.446 50 G N -0.319 108.433 108.800 -0.079 0.000 2.448 50 G HA2 -0.094 3.869 3.960 0.005 0.000 0.218 50 G HA3 -0.094 3.869 3.960 0.005 0.000 0.218 50 G C 0.387 175.315 174.900 0.045 0.000 1.135 50 G CA 0.240 45.308 45.100 -0.054 0.000 0.784 50 G HN 0.106 nan 8.290 nan 0.000 0.543 51 V N 2.620 122.510 119.914 -0.040 0.000 2.221 51 V HA 0.140 4.263 4.120 0.005 0.000 0.258 51 V C 1.812 177.890 176.094 -0.028 0.000 1.179 51 V CA 0.357 62.644 62.300 -0.022 0.000 1.022 51 V CB -0.237 31.515 31.823 -0.119 0.000 1.228 51 V HN 0.476 nan 8.190 nan 0.000 0.487 52 T N 0.291 114.847 114.554 0.003 0.000 2.699 52 T HA -0.242 4.111 4.350 0.005 0.000 0.268 52 T C 1.188 175.875 174.700 -0.022 0.000 1.036 52 T CA 1.838 63.932 62.100 -0.009 0.000 1.147 52 T CB -0.275 68.591 68.868 -0.004 0.000 0.862 52 T HN 0.676 nan 8.240 nan 0.000 0.446 53 D N 1.786 122.171 120.400 -0.025 0.000 2.336 53 D HA 0.371 5.014 4.640 0.005 0.000 0.228 53 D C 0.589 176.859 176.300 -0.050 0.000 1.120 53 D CA -0.078 53.909 54.000 -0.022 0.000 0.839 53 D CB -0.608 40.199 40.800 0.013 0.000 0.932 53 D HN 0.699 nan 8.370 nan 0.000 0.509 54 A N 0.892 123.665 122.820 -0.079 0.000 2.531 54 A HA 0.332 4.655 4.320 0.005 0.000 0.236 54 A C 0.453 178.011 177.584 -0.042 0.000 1.062 54 A CA -0.007 51.970 52.037 -0.101 0.000 0.760 54 A CB 0.066 19.009 19.000 -0.095 0.000 0.995 54 A HN 0.511 nan 8.150 nan 0.000 0.501 55 Q N 0.906 120.695 119.800 -0.017 0.000 2.495 55 Q HA 0.678 5.021 4.340 0.005 0.000 0.287 55 Q C -1.373 174.651 176.000 0.040 0.000 1.078 55 Q CA -1.030 54.781 55.803 0.014 0.000 0.793 55 Q CB 1.413 30.163 28.738 0.019 0.000 1.459 55 Q HN 0.404 nan 8.270 nan 0.000 0.422 56 V N 1.889 121.826 119.914 0.038 0.000 2.715 56 V HA 0.026 4.149 4.120 0.005 0.000 0.299 56 V C 0.511 176.648 176.094 0.071 0.000 1.054 56 V CA 0.091 62.424 62.300 0.055 0.000 1.077 56 V CB 1.274 33.123 31.823 0.044 0.000 0.972 56 V HN 0.819 nan 8.190 nan 0.000 0.484 57 V N 2.670 122.645 119.914 0.101 0.000 3.090 57 V HA 0.217 4.340 4.120 0.005 0.000 0.237 57 V C 0.424 176.584 176.094 0.111 0.000 1.209 57 V CA 1.146 63.517 62.300 0.118 0.000 1.209 57 V CB 1.163 33.095 31.823 0.182 0.000 0.971 57 V HN 0.975 nan 8.190 nan 0.000 0.477 58 S N -0.423 115.340 115.700 0.105 0.000 2.567 58 S HA 0.656 5.129 4.470 0.005 0.000 0.270 58 S C -0.983 173.668 174.600 0.085 0.000 1.152 58 S CA -0.786 57.468 58.200 0.091 0.000 0.835 58 S CB 2.614 65.870 63.200 0.094 0.000 1.115 58 S HN 0.256 nan 8.310 nan 0.000 0.459 59 R N 0.542 121.087 120.500 0.076 0.000 2.480 59 R HA 0.693 5.036 4.340 0.005 0.000 0.306 59 R C -0.885 175.468 176.300 0.089 0.000 0.958 59 R CA -0.520 55.624 56.100 0.074 0.000 0.861 59 R CB 1.370 31.701 30.300 0.051 0.000 1.171 59 R HN 0.769 nan 8.270 nan 0.000 0.445 60 R N 1.726 122.289 120.500 0.105 0.000 2.764 60 R HA 0.229 4.572 4.340 0.005 0.000 0.270 60 R C -1.491 174.854 176.300 0.076 0.000 1.014 60 R CA -0.767 55.393 56.100 0.100 0.000 0.904 60 R CB 1.851 32.221 30.300 0.116 0.000 1.236 60 R HN 0.588 nan 8.270 nan 0.000 0.466 61 D N -0.339 120.063 120.400 0.003 0.000 2.387 61 D HA 0.537 5.180 4.640 0.005 0.000 0.255 61 D C -0.978 175.159 176.300 -0.271 0.000 1.081 61 D CA 0.241 54.110 54.000 -0.219 0.000 0.994 61 D CB 1.757 42.397 40.800 -0.268 0.000 1.127 61 D HN 0.380 nan 8.370 nan 0.000 0.513 62 T N 0.044 114.347 114.554 -0.418 0.000 2.792 62 T HA 0.190 4.543 4.350 0.005 0.000 0.303 62 T C 0.154 174.551 174.700 -0.506 0.000 1.310 62 T CA -0.581 61.160 62.100 -0.599 0.000 1.007 62 T CB 0.511 68.903 68.868 -0.794 0.000 1.335 62 T HN 0.336 nan 8.240 nan 0.000 0.504 63 F N 0.053 119.719 119.950 -0.473 0.000 2.805 63 F HA 0.592 5.123 4.527 0.005 0.000 0.301 63 F C 1.078 176.736 175.800 -0.235 0.000 1.196 63 F CA 0.131 57.950 58.000 -0.301 0.000 1.439 63 F CB -0.146 38.685 39.000 -0.281 0.000 1.117 63 F HN 0.461 nan 8.300 nan 0.000 0.581 64 A N -0.288 122.101 122.820 -0.719 0.000 2.716 64 A HA 0.679 5.002 4.320 0.005 0.000 0.252 64 A C 0.774 178.199 177.584 -0.265 0.000 1.144 64 A CA 0.174 51.928 52.037 -0.471 0.000 0.995 64 A CB -0.398 18.189 19.000 -0.689 0.000 1.252 64 A HN 1.023 nan 8.150 nan 0.000 0.593 65 G N -0.606 107.997 108.800 -0.329 0.000 2.331 65 G HA2 0.134 4.097 3.960 0.005 0.000 0.402 65 G HA3 0.134 4.097 3.960 0.005 0.000 0.402 65 G C -1.100 173.604 174.900 -0.326 0.000 1.275 65 G CA -0.865 44.076 45.100 -0.264 0.000 1.003 65 G HN 0.411 nan 8.290 nan 0.000 0.500 66 H N 0.660 119.667 119.070 -0.104 0.000 2.944 66 H HA 0.383 4.942 4.556 0.005 0.000 0.278 66 H C 1.079 176.420 175.328 0.022 0.000 1.083 66 H CA 0.919 56.932 56.048 -0.058 0.000 1.479 66 H CB 0.246 29.954 29.762 -0.088 0.000 1.486 66 H HN 0.684 nan 8.280 nan 0.000 0.493 67 I N 0.662 121.248 120.570 0.028 0.000 2.677 67 I HA 0.448 4.621 4.170 0.005 0.000 0.305 67 I C 0.265 176.419 176.117 0.062 0.000 0.988 67 I CA -0.601 60.703 61.300 0.008 0.000 1.260 67 I CB 2.076 40.058 38.000 -0.030 0.000 1.410 67 I HN 0.346 nan 8.210 nan 0.000 0.523 68 T N 5.546 120.134 114.554 0.057 0.000 3.050 68 T HA 0.366 4.719 4.350 0.005 0.000 0.310 68 T C -0.991 173.755 174.700 0.076 0.000 0.978 68 T CA -0.575 61.565 62.100 0.067 0.000 1.013 68 T CB 0.847 69.747 68.868 0.052 0.000 1.000 68 T HN 0.642 nan 8.240 nan 0.000 0.447 69 L N 6.329 127.613 121.223 0.101 0.000 2.418 69 L HA 0.585 4.928 4.340 0.005 0.000 0.274 69 L C -0.953 176.005 176.870 0.146 0.000 1.135 69 L CA 0.241 55.163 54.840 0.137 0.000 0.870 69 L CB -0.027 42.127 42.059 0.157 0.000 1.154 69 L HN 0.688 nan 8.230 nan 0.000 0.462 70 L N 5.332 126.640 121.223 0.142 0.000 2.313 70 L HA 0.608 4.951 4.340 0.005 0.000 0.268 70 L C -0.932 176.025 176.870 0.146 0.000 1.010 70 L CA -0.603 54.301 54.840 0.107 0.000 0.814 70 L CB 1.708 43.784 42.059 0.029 0.000 1.304 70 L HN 0.573 nan 8.230 nan 0.000 0.441 71 F N -0.209 119.653 119.950 -0.147 0.000 2.588 71 F HA 0.757 5.287 4.527 0.005 0.000 0.314 71 F C -0.218 175.373 175.800 -0.347 0.000 1.134 71 F CA -0.152 57.627 58.000 -0.368 0.000 0.961 71 F CB 1.932 40.624 39.000 -0.514 0.000 1.239 71 F HN 0.451 nan 8.300 nan 0.000 0.448 72 G N 2.828 110.865 108.800 -1.272 0.000 2.706 72 G HA2 0.532 4.495 3.960 0.005 0.000 0.307 72 G HA3 0.532 4.495 3.960 0.005 0.000 0.307 72 G C -2.162 171.910 174.900 -1.380 0.000 1.307 72 G CA -0.725 43.756 45.100 -1.031 0.000 0.790 72 G HN 0.719 nan 8.290 nan 0.000 0.503 73 H N -1.782 117.013 119.070 -0.458 0.000 2.797 73 H HA 0.734 5.293 4.556 0.005 0.000 0.362 73 H C -1.793 173.480 175.328 -0.091 0.000 1.183 73 H CA -0.588 55.273 56.048 -0.311 0.000 1.197 73 H CB 2.305 31.931 29.762 -0.227 0.000 1.835 73 H HN 0.529 nan 8.280 nan 0.000 0.567 74 Y N 1.015 121.270 120.300 -0.076 0.000 2.330 74 Y HA 0.191 4.744 4.550 0.005 0.000 0.324 74 Y C -0.594 175.273 175.900 -0.056 0.000 1.093 74 Y CA -1.082 56.969 58.100 -0.081 0.000 1.103 74 Y CB 0.871 39.262 38.460 -0.113 0.000 1.183 74 Y HN 0.782 nan 8.280 nan 0.000 0.433 75 N N 4.183 122.592 118.700 -0.486 0.000 2.716 75 N HA -0.233 4.510 4.740 0.005 0.000 0.250 75 N C 1.008 176.448 175.510 -0.117 0.000 1.033 75 N CA 1.869 54.737 53.050 -0.303 0.000 0.727 75 N CB -0.988 37.333 38.487 -0.278 0.000 0.950 75 N HN 1.421 nan 8.380 nan 0.000 0.541 76 G N -2.268 106.484 108.800 -0.080 0.000 2.179 76 G HA2 -0.287 3.676 3.960 0.005 0.000 0.260 76 G HA3 -0.287 3.676 3.960 0.005 0.000 0.260 76 G C 0.077 175.000 174.900 0.039 0.000 0.977 76 G CA 0.649 45.729 45.100 -0.033 0.000 0.641 76 G HN 1.143 nan 8.290 nan 0.000 0.533 77 V N 0.300 120.245 119.914 0.051 0.000 2.581 77 V HA 0.882 5.005 4.120 0.005 0.000 0.303 77 V C 0.763 176.846 176.094 -0.019 0.000 1.041 77 V CA 0.191 62.523 62.300 0.054 0.000 0.907 77 V CB 1.619 33.470 31.823 0.047 0.000 0.994 77 V HN 1.330 nan 8.190 nan 0.000 0.442 78 G N 6.567 115.336 108.800 -0.052 0.000 2.343 78 G HA2 0.473 4.436 3.960 0.005 0.000 0.254 78 G HA3 0.473 4.436 3.960 0.005 0.000 0.254 78 G C -0.404 174.257 174.900 -0.399 0.000 1.277 78 G CA -0.364 44.528 45.100 -0.347 0.000 0.909 78 G HN 0.693 nan 8.290 nan 0.000 0.502 79 I N 2.223 122.330 120.570 -0.771 0.000 2.441 79 I HA 0.309 4.482 4.170 0.005 0.000 0.295 79 I C -0.816 175.015 176.117 -0.477 0.000 0.994 79 I CA -1.186 59.852 61.300 -0.437 0.000 1.144 79 I CB 1.571 39.383 38.000 -0.314 0.000 1.314 79 I HN 0.379 nan 8.210 nan 0.000 0.445 80 Y N 5.511 125.788 120.300 -0.038 0.000 2.342 80 Y HA 0.580 5.133 4.550 0.005 0.000 0.334 80 Y C -0.035 175.847 175.900 -0.031 0.000 1.067 80 Y CA -0.570 57.560 58.100 0.050 0.000 1.128 80 Y CB 1.721 40.250 38.460 0.115 0.000 1.200 80 Y HN 0.317 nan 8.280 nan 0.000 0.464 81 L N 4.751 126.038 121.223 0.106 0.000 2.341 81 L HA 0.512 4.855 4.340 0.005 0.000 0.278 81 L C -0.625 176.274 176.870 0.047 0.000 1.005 81 L CA -0.731 54.117 54.840 0.014 0.000 0.818 81 L CB 1.721 43.748 42.059 -0.054 0.000 1.259 81 L HN 0.524 nan 8.230 nan 0.000 0.418 82 I N 1.917 122.496 120.570 0.014 0.000 2.293 82 I HA 0.059 4.232 4.170 0.005 0.000 0.299 82 I C 0.029 176.195 176.117 0.082 0.000 1.153 82 I CA -0.055 61.286 61.300 0.069 0.000 1.302 82 I CB -0.104 37.973 38.000 0.127 0.000 1.460 82 I HN 0.539 nan 8.210 nan 0.000 0.552 83 D N 6.731 127.162 120.400 0.052 0.000 2.339 83 D HA 0.393 5.036 4.640 0.005 0.000 0.256 83 D C -0.079 176.226 176.300 0.007 0.000 1.214 83 D CA 0.135 54.158 54.000 0.037 0.000 0.877 83 D CB 1.143 41.959 40.800 0.025 0.000 1.111 83 D HN 0.682 nan 8.370 nan 0.000 0.478 84 A N 5.284 128.072 122.820 -0.053 0.000 3.399 84 A HA 0.362 4.685 4.320 0.005 0.000 0.262 84 A C -1.972 175.392 177.584 -0.366 0.000 1.145 84 A CA -0.793 51.086 52.037 -0.264 0.000 0.916 84 A CB 0.893 19.538 19.000 -0.591 0.000 1.360 84 A HN 0.306 nan 8.150 nan 0.000 0.628 85 P HA -0.256 nan 4.420 nan 0.000 0.216 85 P C 1.222 178.467 177.300 -0.091 0.000 1.154 85 P CA 2.201 65.272 63.100 -0.047 0.000 0.865 85 P CB -0.257 31.461 31.700 0.031 0.000 0.789 86 H N -2.135 116.844 119.070 -0.153 0.000 2.518 86 H HA -0.021 4.538 4.556 0.004 0.000 0.292 86 H C 1.541 176.729 175.328 -0.233 0.000 1.068 86 H CA 0.739 56.693 56.048 -0.156 0.000 1.275 86 H CB -1.062 28.617 29.762 -0.138 0.000 1.375 86 H HN 0.170 nan 8.280 nan 0.000 0.563 87 L N -1.378 119.401 121.223 -0.740 0.000 2.500 87 L HA 0.111 4.454 4.340 0.005 0.000 0.219 87 L C 1.130 177.704 176.870 -0.495 0.000 1.057 87 L CA 0.127 54.488 54.840 -0.798 0.000 0.854 87 L CB 0.237 41.470 42.059 -1.377 0.000 1.078 87 L HN 0.198 nan 8.230 nan 0.000 0.480 88 Y N -1.614 118.515 120.300 -0.284 0.000 2.526 88 Y HA 0.196 4.748 4.550 0.004 0.000 0.265 88 Y C 0.710 176.591 175.900 -0.033 0.000 1.092 88 Y CA -1.161 56.828 58.100 -0.185 0.000 1.277 88 Y CB 0.143 38.394 38.460 -0.350 0.000 1.228 88 Y HN -0.080 nan 8.280 nan 0.000 0.507 89 D N 2.380 122.822 120.400 0.071 0.000 2.383 89 D HA 0.201 4.844 4.640 0.005 0.000 0.245 89 D C -0.402 175.921 176.300 0.038 0.000 1.263 89 D CA 0.323 54.361 54.000 0.064 0.000 0.936 89 D CB -0.077 40.743 40.800 0.034 0.000 1.053 89 D HN 0.203 nan 8.370 nan 0.000 0.507 90 R N 3.575 124.115 120.500 0.066 0.000 2.535 90 R HA 0.388 4.731 4.340 0.005 0.000 0.274 90 R C -2.550 173.801 176.300 0.086 0.000 1.090 90 R CA -1.451 54.681 56.100 0.055 0.000 0.930 90 R CB 1.953 32.236 30.300 -0.028 0.000 1.223 90 R HN 0.217 nan 8.270 nan 0.000 0.441 91 P HA 0.507 nan 4.420 nan 0.000 0.278 91 P C 0.247 177.606 177.300 0.099 0.000 1.258 91 P CA -0.017 63.128 63.100 0.075 0.000 0.811 91 P CB 1.027 32.763 31.700 0.061 0.000 1.063 92 G N 0.040 108.873 108.800 0.056 0.000 2.548 92 G HA2 -0.045 3.918 3.960 0.005 0.000 0.208 92 G HA3 -0.045 3.918 3.960 0.005 0.000 0.208 92 G C -0.343 174.553 174.900 -0.007 0.000 1.308 92 G CA -0.214 44.912 45.100 0.044 0.000 0.924 92 G HN 0.882 nan 8.290 nan 0.000 0.540 93 S N 1.449 117.104 115.700 -0.076 0.000 2.528 93 S HA 0.543 5.016 4.470 0.005 0.000 0.277 93 S C -0.397 174.174 174.600 -0.049 0.000 1.297 93 S CA -0.019 58.053 58.200 -0.213 0.000 1.052 93 S CB 1.623 64.488 63.200 -0.558 0.000 0.917 93 S HN 0.639 nan 8.310 nan 0.000 0.492 94 P HA -0.127 nan 4.420 nan 0.000 0.225 94 P C 0.010 177.586 177.300 0.460 0.000 1.141 94 P CA 1.229 64.326 63.100 -0.003 0.000 0.774 94 P CB -0.227 30.985 31.700 -0.814 0.000 0.760 95 Y N -1.293 119.006 120.300 -0.002 0.000 2.430 95 Y HA 0.187 4.740 4.550 0.004 0.000 0.248 95 Y C 1.534 177.516 175.900 0.136 0.000 1.108 95 Y CA -0.907 57.325 58.100 0.221 0.000 1.264 95 Y CB -0.260 38.317 38.460 0.194 0.000 1.172 95 Y HN 0.208 nan 8.280 nan 0.000 0.520 96 H N -1.946 117.215 119.070 0.152 0.000 3.037 96 H HA 0.273 4.832 4.556 0.005 0.000 0.336 96 H C -1.368 173.588 175.328 -0.621 0.000 1.323 96 H CA -1.042 54.702 56.048 -0.508 0.000 1.159 96 H CB 1.103 30.766 29.762 -0.164 0.000 1.882 96 H HN 0.014 nan 8.280 nan 0.000 0.535 97 D N 0.487 120.528 120.400 -0.597 0.000 2.362 97 D HA -0.073 4.570 4.640 0.005 0.000 0.238 97 D C 1.425 177.725 176.300 0.000 0.000 1.212 97 D CA 0.544 54.436 54.000 -0.180 0.000 0.902 97 D CB 0.475 41.236 40.800 -0.066 0.000 1.180 97 D HN 0.687 nan 8.370 nan 0.000 0.445 98 T N -0.698 113.882 114.554 0.043 0.000 2.685 98 T HA -0.291 4.062 4.350 0.005 0.000 0.268 98 T C 1.017 175.703 174.700 -0.023 0.000 1.034 98 T CA 1.621 63.739 62.100 0.031 0.000 1.149 98 T CB -0.803 68.089 68.868 0.039 0.000 0.860 98 T HN 0.463 nan 8.240 nan 0.000 0.449 99 N N 1.529 120.204 118.700 -0.041 0.000 2.567 99 N HA 0.361 5.104 4.740 0.005 0.000 0.195 99 N C 0.866 176.158 175.510 -0.363 0.000 1.242 99 N CA 0.325 53.294 53.050 -0.136 0.000 0.884 99 N CB -0.138 38.327 38.487 -0.037 0.000 1.007 99 N HN 0.373 nan 8.380 nan 0.000 0.450 100 L N -2.483 118.575 121.223 -0.274 0.000 5.081 100 L HA -0.226 4.117 4.340 0.005 0.000 0.423 100 L C -0.926 175.640 176.870 -0.507 0.000 1.019 100 L CA 0.874 55.452 54.840 -0.437 0.000 1.223 100 L CB -1.649 40.123 42.059 -0.477 0.000 1.940 100 L HN 0.079 nan 8.230 nan 0.000 0.675 101 F N 0.687 120.569 119.950 -0.113 0.000 2.385 101 F HA 0.635 5.164 4.527 0.004 0.000 0.336 101 F C 1.415 177.187 175.800 -0.047 0.000 1.100 101 F CA -0.522 57.431 58.000 -0.077 0.000 1.116 101 F CB 0.693 39.676 39.000 -0.029 0.000 1.166 101 F HN 0.125 nan 8.300 nan 0.000 0.511 102 A N 2.778 125.735 122.820 0.229 0.000 2.583 102 A HA 0.019 4.342 4.320 0.005 0.000 0.231 102 A C -1.040 176.648 177.584 0.173 0.000 1.065 102 A CA -0.070 52.105 52.037 0.230 0.000 0.760 102 A CB -0.244 18.909 19.000 0.254 0.000 1.001 102 A HN 0.682 nan 8.150 nan 0.000 0.509 103 Y N 0.950 121.437 120.300 0.312 0.000 2.436 103 Y HA 0.142 4.694 4.550 0.004 0.000 0.336 103 Y C 2.156 178.192 175.900 0.227 0.000 1.049 103 Y CA 0.683 58.929 58.100 0.242 0.000 1.294 103 Y CB 0.654 39.237 38.460 0.206 0.000 1.179 103 Y HN 0.889 nan 8.280 nan 0.000 0.520 104 T N -2.536 112.218 114.554 0.332 0.000 2.849 104 T HA -0.227 4.126 4.350 0.005 0.000 0.270 104 T C 1.064 175.914 174.700 0.249 0.000 1.066 104 T CA 1.501 63.765 62.100 0.273 0.000 1.130 104 T CB -0.146 68.863 68.868 0.236 0.000 0.864 104 T HN 0.768 nan 8.240 nan 0.000 0.481 105 D N 0.408 120.942 120.400 0.223 0.000 2.328 105 D HA 0.035 4.678 4.640 0.005 0.000 0.226 105 D C 1.392 177.737 176.300 0.076 0.000 1.066 105 D CA -0.134 53.943 54.000 0.128 0.000 0.861 105 D CB -0.983 39.868 40.800 0.086 0.000 0.912 105 D HN 0.498 nan 8.370 nan 0.000 0.521 106 N N 0.285 119.099 118.700 0.191 0.000 2.094 106 N HA -0.189 4.554 4.740 0.005 0.000 0.191 106 N C 1.978 177.533 175.510 0.076 0.000 1.023 106 N CA 1.216 54.416 53.050 0.250 0.000 0.857 106 N CB 0.040 38.873 38.487 0.577 0.000 1.013 106 N HN 0.005 nan 8.380 nan 0.000 0.426 107 V N 1.870 121.585 119.914 -0.331 0.000 2.250 107 V HA -0.274 3.849 4.120 0.005 0.000 0.250 107 V C 2.017 178.058 176.094 -0.088 0.000 1.060 107 V CA 1.745 63.574 62.300 -0.784 0.000 1.030 107 V CB -0.390 30.708 31.823 -1.208 0.000 0.643 107 V HN 0.295 nan 8.190 nan 0.000 0.445 108 L N -0.542 120.656 121.223 -0.042 0.000 2.083 108 L HA -0.181 4.162 4.340 0.005 0.000 0.209 108 L C 2.786 179.651 176.870 -0.008 0.000 1.083 108 L CA 2.087 56.976 54.840 0.083 0.000 0.752 108 L CB -0.681 41.400 42.059 0.037 0.000 0.899 108 L HN 0.289 nan 8.230 nan 0.000 0.433 109 R N -0.684 119.731 120.500 -0.142 0.000 2.120 109 R HA -0.116 4.227 4.340 0.005 0.000 0.234 109 R C 1.937 178.025 176.300 -0.354 0.000 1.123 109 R CA 1.413 57.301 56.100 -0.353 0.000 0.975 109 R CB -0.216 29.772 30.300 -0.520 0.000 0.866 109 R HN 0.298 nan 8.270 nan 0.000 0.446 110 F N -0.718 119.411 119.950 0.298 0.000 2.653 110 F HA 0.281 4.811 4.527 0.005 0.000 0.288 110 F C 2.362 178.494 175.800 0.554 0.000 1.121 110 F CA 0.092 58.335 58.000 0.405 0.000 1.384 110 F CB -0.082 39.141 39.000 0.371 0.000 1.115 110 F HN -0.050 nan 8.300 nan 0.000 0.599 111 A N 0.713 123.975 122.820 0.736 0.000 1.892 111 A HA -0.239 4.084 4.320 0.005 0.000 0.218 111 A C 2.105 180.049 177.584 0.599 0.000 1.188 111 A CA 1.843 54.239 52.037 0.598 0.000 0.631 111 A CB -1.047 18.293 19.000 0.567 0.000 0.822 111 A HN 0.340 nan 8.150 nan 0.000 0.447 112 L N -0.323 121.128 121.223 0.380 0.000 2.013 112 L HA -0.176 4.167 4.340 0.005 0.000 0.212 112 L C 2.304 179.332 176.870 0.263 0.000 1.073 112 L CA 1.986 56.904 54.840 0.130 0.000 0.753 112 L CB -0.640 41.311 42.059 -0.180 0.000 0.890 112 L HN 0.477 nan 8.230 nan 0.000 0.432 113 L N -0.999 120.404 121.223 0.299 0.000 2.013 113 L HA -0.203 4.140 4.340 0.005 0.000 0.212 113 L C 2.324 179.381 176.870 0.312 0.000 1.073 113 L CA 1.918 56.930 54.840 0.287 0.000 0.753 113 L CB -1.142 41.124 42.059 0.346 0.000 0.890 113 L HN 0.509 nan 8.230 nan 0.000 0.432 114 G N -0.892 108.148 108.800 0.399 0.000 2.480 114 G HA2 -0.375 3.588 3.960 0.005 0.000 0.216 114 G HA3 -0.375 3.588 3.960 0.005 0.000 0.216 114 G C 1.230 176.341 174.900 0.352 0.000 1.200 114 G CA 0.820 46.165 45.100 0.409 0.000 0.782 114 G HN 0.641 nan 8.290 nan 0.000 0.554 115 W N 1.034 122.334 121.300 -0.001 0.000 2.305 115 W HA -0.201 4.462 4.660 0.005 0.000 0.308 115 W C 2.564 178.991 176.519 -0.154 0.000 1.226 115 W CA 2.308 59.386 57.345 -0.445 0.000 1.253 115 W CB -0.288 28.843 29.460 -0.550 0.000 1.146 115 W HN 0.060 nan 8.180 nan 0.000 0.507 116 V N 1.060 121.144 119.914 0.282 0.000 2.427 116 V HA -0.216 3.907 4.120 0.005 0.000 0.248 116 V C 2.502 178.552 176.094 -0.073 0.000 1.051 116 V CA 1.920 64.273 62.300 0.088 0.000 1.048 116 V CB -1.742 30.193 31.823 0.187 0.000 0.666 116 V HN 0.446 nan 8.190 nan 0.000 0.456 117 G N 0.089 108.903 108.800 0.022 0.000 2.514 117 G HA2 -0.282 3.680 3.960 0.005 0.000 0.217 117 G HA3 -0.282 3.680 3.960 0.005 0.000 0.217 117 G C 1.794 176.653 174.900 -0.069 0.000 1.198 117 G CA 1.246 46.354 45.100 0.013 0.000 0.780 117 G HN 0.614 nan 8.290 nan 0.000 0.565 118 A N 0.223 122.992 122.820 -0.086 0.000 1.940 118 A HA -0.042 4.281 4.320 0.005 0.000 0.219 118 A C 2.264 179.669 177.584 -0.297 0.000 1.176 118 A CA 2.085 54.032 52.037 -0.149 0.000 0.631 118 A CB -0.343 18.602 19.000 -0.092 0.000 0.814 118 A HN 0.299 nan 8.150 nan 0.000 0.446 119 E N -0.651 119.247 120.200 -0.503 0.000 2.106 119 E HA -0.138 4.214 4.350 0.005 0.000 0.192 119 E C 2.037 178.446 176.600 -0.318 0.000 0.984 119 E CA 0.823 56.884 56.400 -0.564 0.000 0.806 119 E CB -0.366 28.773 29.700 -0.935 0.000 0.750 119 E HN 0.489 nan 8.360 nan 0.000 0.458 120 M N 0.093 119.545 119.600 -0.248 0.000 2.144 120 M HA -0.145 4.338 4.480 0.005 0.000 0.260 120 M C 2.174 178.381 176.300 -0.154 0.000 1.067 120 M CA 1.340 56.531 55.300 -0.182 0.000 1.095 120 M CB -1.109 31.390 32.600 -0.169 0.000 1.365 120 M HN 0.040 nan 8.290 nan 0.000 0.406 121 A N -1.008 121.717 122.820 -0.159 0.000 2.066 121 A HA -0.028 4.295 4.320 0.005 0.000 0.218 121 A C 2.164 179.658 177.584 -0.150 0.000 1.157 121 A CA 1.521 53.467 52.037 -0.151 0.000 0.670 121 A CB -0.471 18.452 19.000 -0.128 0.000 0.804 121 A HN 0.515 nan 8.150 nan 0.000 0.453 122 S N -1.470 114.133 115.700 -0.161 0.000 2.575 122 S HA 0.396 4.869 4.470 0.005 0.000 0.215 122 S C 1.180 175.706 174.600 -0.124 0.000 0.966 122 S CA 0.587 58.702 58.200 -0.142 0.000 0.911 122 S CB 0.302 63.407 63.200 -0.159 0.000 0.780 122 S HN 1.575 nan 8.310 nan 0.000 0.514 123 G N 1.464 110.191 108.800 -0.122 0.000 2.135 123 G HA2 -0.204 3.758 3.960 0.005 0.000 0.183 123 G HA3 -0.204 3.758 3.960 0.005 0.000 0.183 123 G C 0.547 175.408 174.900 -0.066 0.000 1.004 123 G CA 0.131 45.177 45.100 -0.089 0.000 0.677 123 G HN 0.415 nan 8.290 nan 0.000 0.512 124 L N 0.808 121.975 121.223 -0.093 0.000 2.189 124 L HA 0.176 4.519 4.340 0.005 0.000 0.214 124 L C 0.805 177.675 176.870 -0.000 0.000 1.097 124 L CA 2.300 57.101 54.840 -0.064 0.000 0.764 124 L CB 0.075 42.065 42.059 -0.116 0.000 0.900 124 L HN 0.339 nan 8.230 nan 0.000 0.436 125 D N -0.684 119.727 120.400 0.019 0.000 2.381 125 D HA 0.231 4.874 4.640 0.005 0.000 0.235 125 D C -1.865 174.508 176.300 0.121 0.000 1.068 125 D CA -2.475 51.593 54.000 0.114 0.000 0.832 125 D CB 1.670 42.575 40.800 0.176 0.000 1.101 125 D HN 0.044 nan 8.370 nan 0.000 0.515 126 P HA -0.030 nan 4.420 nan 0.000 0.226 126 P C 0.974 178.217 177.300 -0.094 0.000 1.153 126 P CA 0.523 63.616 63.100 -0.012 0.000 0.777 126 P CB 0.100 31.769 31.700 -0.051 0.000 0.794 127 F N -2.855 117.129 119.950 0.056 0.000 2.714 127 F HA 0.282 4.812 4.527 0.005 0.000 0.294 127 F C 0.820 176.722 175.800 0.169 0.000 1.120 127 F CA 0.156 58.201 58.000 0.076 0.000 1.398 127 F CB 0.108 39.135 39.000 0.046 0.000 1.120 127 F HN -0.107 nan 8.300 nan 0.000 0.589 128 W N 1.414 122.769 121.300 0.091 0.000 3.615 128 W HA 0.494 5.157 4.660 0.005 0.000 0.319 128 W C -1.383 175.130 176.519 -0.011 0.000 1.172 128 W CA -1.112 56.257 57.345 0.040 0.000 1.240 128 W CB 0.998 30.488 29.460 0.050 0.000 1.313 128 W HN -0.374 nan 8.180 nan 0.000 0.487 129 R N 5.424 125.651 120.500 -0.454 0.000 2.686 129 R HA 0.565 4.908 4.340 0.005 0.000 0.283 129 R C -2.762 173.022 176.300 -0.860 0.000 0.978 129 R CA -2.014 53.825 56.100 -0.434 0.000 0.897 129 R CB 2.234 32.374 30.300 -0.267 0.000 1.192 129 R HN 0.136 nan 8.270 nan 0.000 0.457 130 P HA 0.130 nan 4.420 nan 0.000 0.285 130 P C -0.492 176.581 177.300 -0.379 0.000 1.259 130 P CA -0.349 62.403 63.100 -0.579 0.000 0.794 130 P CB 1.194 32.741 31.700 -0.256 0.000 0.940 131 D N 0.893 121.074 120.400 -0.365 0.000 2.183 131 D HA 0.002 4.645 4.640 0.005 0.000 0.203 131 D C 0.352 176.499 176.300 -0.255 0.000 0.969 131 D CA 1.308 55.140 54.000 -0.281 0.000 0.842 131 D CB 0.381 41.013 40.800 -0.280 0.000 0.957 131 D HN 0.145 nan 8.370 nan 0.000 0.484 132 V N 1.567 121.301 119.914 -0.300 0.000 2.577 132 V HA 0.184 4.306 4.120 0.005 0.000 0.303 132 V C -0.163 175.786 176.094 -0.242 0.000 1.042 132 V CA -0.777 61.346 62.300 -0.295 0.000 0.872 132 V CB 2.845 34.378 31.823 -0.483 0.000 0.998 132 V HN -0.237 nan 8.190 nan 0.000 0.423 133 V N 4.153 123.980 119.914 -0.144 0.000 2.364 133 V HA 0.300 4.423 4.120 0.005 0.000 0.272 133 V C -0.084 175.997 176.094 -0.021 0.000 1.036 133 V CA -0.396 61.868 62.300 -0.060 0.000 0.880 133 V CB 0.943 32.761 31.823 -0.008 0.000 0.991 133 V HN 0.899 nan 8.190 nan 0.000 0.460 134 H N 4.225 123.219 119.070 -0.126 0.000 2.685 134 H HA 0.648 5.207 4.556 0.005 0.000 0.286 134 H C 0.222 175.546 175.328 -0.007 0.000 1.102 134 H CA -0.352 55.638 56.048 -0.097 0.000 1.254 134 H CB 0.714 30.339 29.762 -0.228 0.000 1.397 134 H HN 0.832 nan 8.280 nan 0.000 0.473 135 A N 4.830 127.817 122.820 0.278 0.000 2.304 135 A HA 0.306 4.629 4.320 0.005 0.000 0.301 135 A C -0.789 176.942 177.584 0.244 0.000 1.132 135 A CA -0.598 51.658 52.037 0.364 0.000 0.819 135 A CB 0.618 19.903 19.000 0.475 0.000 1.094 135 A HN 0.850 nan 8.150 nan 0.000 0.492 136 H N 1.546 120.871 119.070 0.426 0.000 2.887 136 H HA 0.345 4.904 4.556 0.005 0.000 0.300 136 H C -1.032 174.488 175.328 0.321 0.000 1.038 136 H CA 0.179 56.403 56.048 0.292 0.000 1.352 136 H CB 0.921 30.852 29.762 0.283 0.000 1.473 136 H HN 0.960 nan 8.280 nan 0.000 0.503 137 D N 0.723 121.262 120.400 0.232 0.000 10.822 137 D HA -0.214 4.429 4.640 0.005 0.000 0.356 137 D C 1.429 178.068 176.300 0.564 0.000 3.123 137 D CA 0.908 55.151 54.000 0.407 0.000 2.621 137 D CB -0.102 40.969 40.800 0.451 0.000 1.197 137 D HN 0.683 nan 8.370 nan 0.000 0.942 138 W N 1.860 123.394 121.300 0.391 0.000 2.313 138 W HA -0.262 4.400 4.660 0.004 0.000 0.293 138 W C 1.591 178.273 176.519 0.272 0.000 1.216 138 W CA 1.808 59.328 57.345 0.292 0.000 1.223 138 W CB -1.340 28.164 29.460 0.074 0.000 1.138 138 W HN 0.633 nan 8.180 nan 0.000 0.535 139 H N 1.869 120.359 119.070 -0.966 0.000 2.357 139 H HA -0.078 4.481 4.556 0.005 0.000 0.296 139 H C 2.467 177.812 175.328 0.029 0.000 1.108 139 H CA 2.930 58.438 56.048 -0.900 0.000 1.273 139 H CB -0.757 28.428 29.762 -0.963 0.000 1.367 139 H HN 0.247 nan 8.280 nan 0.000 0.498 140 A N 0.758 123.767 122.820 0.316 0.000 2.379 140 A HA 0.256 4.579 4.320 0.005 0.000 0.236 140 A C 2.409 180.202 177.584 0.347 0.000 1.272 140 A CA 0.506 52.772 52.037 0.381 0.000 0.886 140 A CB -0.592 18.650 19.000 0.402 0.000 0.962 140 A HN 0.486 nan 8.150 nan 0.000 0.504 141 G N 0.203 109.219 108.800 0.359 0.000 2.485 141 G HA2 -0.207 3.756 3.960 0.005 0.000 0.221 141 G HA3 -0.207 3.756 3.960 0.005 0.000 0.221 141 G C 1.315 176.162 174.900 -0.088 0.000 1.115 141 G CA 1.047 46.200 45.100 0.089 0.000 0.751 141 G HN 0.479 nan 8.290 nan 0.000 0.567 142 L N 0.178 121.334 121.223 -0.112 0.000 2.341 142 L HA 0.115 4.458 4.340 0.005 0.000 0.214 142 L C 3.309 180.158 176.870 -0.036 0.000 1.115 142 L CA 0.564 55.255 54.840 -0.248 0.000 0.820 142 L CB -0.403 41.355 42.059 -0.502 0.000 0.944 142 L HN 0.306 nan 8.230 nan 0.000 0.452 143 A N 1.440 124.357 122.820 0.161 0.000 1.927 143 A HA -0.182 4.141 4.320 0.005 0.000 0.220 143 A C -0.215 177.440 177.584 0.117 0.000 1.185 143 A CA 1.987 54.155 52.037 0.217 0.000 0.639 143 A CB -1.753 17.371 19.000 0.206 0.000 0.820 143 A HN 0.312 nan 8.150 nan 0.000 0.451 144 P HA 0.021 nan 4.420 nan 0.000 0.221 144 P C 1.565 178.882 177.300 0.029 0.000 1.150 144 P CA 1.533 64.660 63.100 0.046 0.000 0.800 144 P CB -0.067 31.643 31.700 0.016 0.000 0.787 145 A N -0.960 121.833 122.820 -0.044 0.000 1.840 145 A HA -0.177 4.146 4.320 0.005 0.000 0.214 145 A C 2.103 179.582 177.584 -0.175 0.000 1.198 145 A CA 1.230 53.100 52.037 -0.279 0.000 0.608 145 A CB -1.891 16.949 19.000 -0.267 0.000 0.839 145 A HN 0.098 nan 8.150 nan 0.000 0.443 146 Y N -0.613 119.670 120.300 -0.028 0.000 2.151 146 Y HA -0.261 4.292 4.550 0.005 0.000 0.284 146 Y C 2.322 178.187 175.900 -0.058 0.000 1.166 146 Y CA 1.020 59.099 58.100 -0.036 0.000 1.163 146 Y CB -0.378 38.073 38.460 -0.015 0.000 0.974 146 Y HN 0.223 nan 8.280 nan 0.000 0.511 147 L N -0.073 121.206 121.223 0.093 0.000 2.013 147 L HA -0.297 4.046 4.340 0.005 0.000 0.212 147 L C 2.554 179.435 176.870 0.017 0.000 1.073 147 L CA 2.007 56.863 54.840 0.026 0.000 0.753 147 L CB -1.516 40.552 42.059 0.015 0.000 0.890 147 L HN 0.254 nan 8.230 nan 0.000 0.432 148 A N -1.009 121.810 122.820 -0.001 0.000 1.877 148 A HA -0.154 4.169 4.320 0.005 0.000 0.216 148 A C 2.423 180.072 177.584 0.109 0.000 1.186 148 A CA 1.859 53.904 52.037 0.013 0.000 0.620 148 A CB -1.006 17.900 19.000 -0.156 0.000 0.822 148 A HN 0.433 nan 8.150 nan 0.000 0.443 149 A N -0.326 122.576 122.820 0.138 0.000 2.076 149 A HA -0.153 4.170 4.320 0.005 0.000 0.220 149 A C 1.937 179.537 177.584 0.026 0.000 1.160 149 A CA 1.380 53.444 52.037 0.045 0.000 0.653 149 A CB -0.399 18.520 19.000 -0.135 0.000 0.801 149 A HN 0.561 nan 8.150 nan 0.000 0.455 150 R N -0.978 119.535 120.500 0.021 0.000 2.515 150 R HA 0.285 4.628 4.340 0.005 0.000 0.294 150 R C 0.867 177.166 176.300 -0.003 0.000 1.021 150 R CA 0.320 56.418 56.100 -0.005 0.000 1.081 150 R CB -0.234 30.044 30.300 -0.037 0.000 1.263 150 R HN 0.529 nan 8.270 nan 0.000 0.557 151 G N 2.760 111.571 108.800 0.020 0.000 2.338 151 G HA2 -0.370 3.593 3.960 0.005 0.000 0.296 151 G HA3 -0.370 3.593 3.960 0.005 0.000 0.296 151 G C -0.003 174.896 174.900 -0.002 0.000 1.040 151 G CA 0.447 45.558 45.100 0.017 0.000 1.004 151 G HN 0.545 nan 8.290 nan 0.000 0.509 152 R N -2.601 117.896 120.500 -0.004 0.000 3.264 152 R HA -0.210 4.133 4.340 0.005 0.000 0.251 152 R C -0.492 175.785 176.300 -0.038 0.000 0.971 152 R CA 0.606 56.695 56.100 -0.018 0.000 0.658 152 R CB -1.339 28.954 30.300 -0.011 0.000 1.095 152 R HN 0.521 nan 8.270 nan 0.000 0.443 153 P HA -0.150 nan 4.420 nan 0.000 0.219 153 P C 0.222 177.469 177.300 -0.088 0.000 1.146 153 P CA 1.931 64.989 63.100 -0.070 0.000 0.808 153 P CB 0.369 32.019 31.700 -0.082 0.000 0.779 154 A N -1.077 121.690 122.820 -0.088 0.000 2.515 154 A HA 0.545 4.868 4.320 0.005 0.000 0.296 154 A C -0.473 177.059 177.584 -0.085 0.000 1.094 154 A CA -0.809 51.164 52.037 -0.107 0.000 0.718 154 A CB 1.376 20.293 19.000 -0.138 0.000 1.307 154 A HN -0.167 nan 8.150 nan 0.000 0.408 155 K N 0.619 120.961 120.400 -0.098 0.000 2.202 155 K HA 0.491 4.813 4.320 0.005 0.000 0.264 155 K C 0.048 176.607 176.600 -0.068 0.000 1.010 155 K CA 0.159 56.405 56.287 -0.070 0.000 0.940 155 K CB 0.921 33.381 32.500 -0.066 0.000 0.983 155 K HN 0.767 nan 8.250 nan 0.000 0.475 156 S N 0.094 115.778 115.700 -0.026 0.000 2.557 156 S HA 0.445 4.918 4.470 0.005 0.000 0.291 156 S C -0.919 173.695 174.600 0.024 0.000 1.116 156 S CA -0.920 57.276 58.200 -0.007 0.000 0.992 156 S CB 1.543 64.758 63.200 0.026 0.000 1.028 156 S HN 0.417 nan 8.310 nan 0.000 0.484 157 V N 4.418 124.321 119.914 -0.019 0.000 2.495 157 V HA 0.819 4.942 4.120 0.005 0.000 0.298 157 V C -1.401 174.711 176.094 0.031 0.000 1.031 157 V CA -1.025 61.273 62.300 -0.004 0.000 0.871 157 V CB 1.298 33.049 31.823 -0.120 0.000 0.988 157 V HN 0.967 nan 8.190 nan 0.000 0.432 158 F N 5.794 125.737 119.950 -0.011 0.000 2.426 158 F HA 0.720 5.250 4.527 0.005 0.000 0.348 158 F C 0.213 176.063 175.800 0.082 0.000 1.124 158 F CA -0.114 57.913 58.000 0.046 0.000 1.008 158 F CB 1.814 40.857 39.000 0.071 0.000 1.139 158 F HN 0.810 nan 8.300 nan 0.000 0.452 159 T N 4.985 119.278 114.554 -0.436 0.000 2.824 159 T HA 0.466 4.819 4.350 0.005 0.000 0.280 159 T C -1.164 173.064 174.700 -0.786 0.000 0.995 159 T CA -0.715 61.141 62.100 -0.406 0.000 1.009 159 T CB 1.420 70.239 68.868 -0.082 0.000 0.955 159 T HN 0.569 nan 8.240 nan 0.000 0.452 160 V N 5.922 125.531 119.914 -0.508 0.000 2.385 160 V HA 0.345 4.468 4.120 0.005 0.000 0.269 160 V C 0.618 176.606 176.094 -0.177 0.000 1.043 160 V CA -0.210 61.906 62.300 -0.307 0.000 0.906 160 V CB 0.294 32.079 31.823 -0.062 0.000 0.995 160 V HN 1.072 nan 8.190 nan 0.000 0.467 161 H N 4.875 123.998 119.070 0.088 0.000 2.547 161 H HA 0.239 4.798 4.556 0.005 0.000 0.272 161 H C 0.161 175.559 175.328 0.117 0.000 0.971 161 H CA 0.629 56.762 56.048 0.141 0.000 1.245 161 H CB 0.569 30.432 29.762 0.168 0.000 1.440 161 H HN 0.687 nan 8.280 nan 0.000 0.540 162 N N 1.012 119.824 118.700 0.188 0.000 2.726 162 N HA 0.056 4.799 4.740 0.005 0.000 0.253 162 N C 0.347 175.757 175.510 -0.167 0.000 1.530 162 N CA -0.096 52.933 53.050 -0.035 0.000 0.772 162 N CB 1.301 39.704 38.487 -0.139 0.000 1.220 162 N HN -0.067 nan 8.380 nan 0.000 0.508 163 L N 0.817 121.994 121.223 -0.077 0.000 2.563 163 L HA -0.118 4.225 4.340 0.005 0.000 0.230 163 L C 1.802 178.315 176.870 -0.594 0.000 1.162 163 L CA 1.452 56.191 54.840 -0.169 0.000 0.812 163 L CB -0.306 41.770 42.059 0.027 0.000 0.935 163 L HN 0.562 nan 8.230 nan 0.000 0.451 164 A N -1.727 120.615 122.820 -0.797 0.000 1.935 164 A HA -0.033 4.290 4.320 0.005 0.000 0.214 164 A C 0.710 177.963 177.584 -0.552 0.000 1.178 164 A CA 0.330 51.760 52.037 -1.012 0.000 0.640 164 A CB -0.519 17.970 19.000 -0.852 0.000 0.825 164 A HN 0.440 nan 8.150 nan 0.000 0.447 165 Y N 0.982 121.135 120.300 -0.245 0.000 2.556 165 Y HA 0.164 4.718 4.550 0.006 0.000 0.352 165 Y C 1.247 176.889 175.900 -0.431 0.000 1.006 165 Y CA -0.958 56.937 58.100 -0.342 0.000 1.277 165 Y CB 0.602 38.894 38.460 -0.280 0.000 1.136 165 Y HN 0.290 nan 8.280 nan 0.000 0.523 166 Q N 2.691 122.297 119.800 -0.322 0.000 2.297 166 Q HA 0.009 4.352 4.340 0.005 0.000 0.204 166 Q C 1.488 177.256 176.000 -0.386 0.000 0.962 166 Q CA 0.847 56.454 55.803 -0.327 0.000 0.879 166 Q CB 0.017 28.565 28.738 -0.316 0.000 0.947 166 Q HN 1.106 nan 8.270 nan 0.000 0.462 167 G N 2.104 110.409 108.800 -0.826 0.000 2.351 167 G HA2 -0.225 3.738 3.960 0.005 0.000 0.297 167 G HA3 -0.225 3.738 3.960 0.005 0.000 0.297 167 G C 0.015 174.463 174.900 -0.753 0.000 1.054 167 G CA 0.061 44.528 45.100 -1.056 0.000 1.123 167 G HN 0.066 nan 8.290 nan 0.000 0.512 168 M N -0.647 118.446 119.600 -0.846 0.000 2.242 168 M HA 0.710 5.192 4.480 0.005 0.000 0.344 168 M C 0.336 176.007 176.300 -1.048 0.000 1.140 168 M CA 0.332 55.274 55.300 -0.597 0.000 1.160 168 M CB 0.400 32.772 32.600 -0.379 0.000 1.491 168 M HN 0.228 nan 8.290 nan 0.000 0.459 169 F N -0.273 119.644 119.950 -0.055 0.000 2.668 169 F HA 0.415 4.944 4.527 0.005 0.000 0.309 169 F C -0.595 175.246 175.800 0.068 0.000 1.117 169 F CA -1.003 56.958 58.000 -0.065 0.000 0.951 169 F CB 1.179 40.165 39.000 -0.024 0.000 1.323 169 F HN 0.383 nan 8.300 nan 0.000 0.451 170 Y N 0.658 121.195 120.300 0.395 0.000 2.578 170 Y HA 0.233 4.786 4.550 0.005 0.000 0.339 170 Y C 1.350 177.319 175.900 0.115 0.000 1.231 170 Y CA 0.017 58.232 58.100 0.192 0.000 1.461 170 Y CB 0.755 39.225 38.460 0.016 0.000 1.323 170 Y HN 0.771 nan 8.280 nan 0.000 0.590 171 A N 1.838 124.839 122.820 0.300 0.000 1.940 171 A HA -0.274 4.049 4.320 0.005 0.000 0.219 171 A C 1.685 179.248 177.584 -0.036 0.000 1.176 171 A CA 2.028 54.158 52.037 0.156 0.000 0.631 171 A CB -1.217 17.776 19.000 -0.012 0.000 0.814 171 A HN 1.015 nan 8.150 nan 0.000 0.446 172 H N -2.559 116.527 119.070 0.028 0.000 2.568 172 H HA -0.005 4.553 4.556 0.005 0.000 0.281 172 H C 1.324 176.619 175.328 -0.054 0.000 1.028 172 H CA 1.299 57.317 56.048 -0.051 0.000 1.199 172 H CB -0.642 29.056 29.762 -0.107 0.000 1.352 172 H HN 0.610 nan 8.280 nan 0.000 0.605 173 H N -0.144 118.843 119.070 -0.139 0.000 2.548 173 H HA 0.052 4.611 4.556 0.005 0.000 0.265 173 H C 1.510 176.865 175.328 0.046 0.000 0.969 173 H CA 0.507 56.553 56.048 -0.003 0.000 1.155 173 H CB 0.295 30.047 29.762 -0.017 0.000 1.394 173 H HN 0.378 nan 8.280 nan 0.000 0.570 174 M N 0.795 120.449 119.600 0.090 0.000 2.192 174 M HA -0.171 4.312 4.480 0.005 0.000 0.259 174 M C 1.110 177.484 176.300 0.124 0.000 1.071 174 M CA 1.032 56.325 55.300 -0.011 0.000 1.082 174 M CB -0.632 31.711 32.600 -0.429 0.000 1.373 174 M HN 0.259 nan 8.290 nan 0.000 0.408 175 N N 0.300 119.123 118.700 0.206 0.000 2.501 175 N HA -0.045 4.698 4.740 0.005 0.000 0.195 175 N C 0.016 175.619 175.510 0.155 0.000 1.213 175 N CA 0.694 53.889 53.050 0.240 0.000 0.864 175 N CB 0.083 38.711 38.487 0.236 0.000 0.999 175 N HN 0.457 nan 8.380 nan 0.000 0.454 176 D N -0.581 119.896 120.400 0.129 0.000 2.399 176 D HA 0.113 4.756 4.640 0.005 0.000 0.269 176 D C 1.571 177.826 176.300 -0.075 0.000 1.105 176 D CA -0.074 53.991 54.000 0.107 0.000 0.844 176 D CB 0.586 41.519 40.800 0.222 0.000 1.372 176 D HN 0.268 nan 8.370 nan 0.000 0.517 177 I N -1.371 119.110 120.570 -0.149 0.000 3.956 177 I HA 0.221 4.394 4.170 0.005 0.000 0.333 177 I C -0.509 175.338 176.117 -0.450 0.000 1.302 177 I CA -0.059 60.984 61.300 -0.430 0.000 1.122 177 I CB 0.049 37.970 38.000 -0.132 0.000 1.013 177 I HN -0.177 nan 8.210 nan 0.000 0.405 178 Q N 1.575 121.222 119.800 -0.254 0.000 2.460 178 Q HA -0.127 4.216 4.340 0.005 0.000 0.311 178 Q C -0.892 175.107 176.000 -0.002 0.000 1.396 178 Q CA 0.576 56.305 55.803 -0.124 0.000 0.838 178 Q CB -1.948 26.673 28.738 -0.194 0.000 1.140 178 Q HN 0.617 nan 8.270 nan 0.000 0.415 179 L N -0.315 120.861 121.223 -0.078 0.000 2.323 179 L HA 0.610 4.953 4.340 0.005 0.000 0.265 179 L C -1.995 174.711 176.870 -0.272 0.000 1.012 179 L CA -2.464 52.234 54.840 -0.236 0.000 0.820 179 L CB 1.272 43.130 42.059 -0.334 0.000 1.334 179 L HN -0.116 nan 8.230 nan 0.000 0.427 180 P HA -0.128 nan 4.420 nan 0.000 0.261 180 P C 0.312 177.569 177.300 -0.071 0.000 1.183 180 P CA 0.143 63.026 63.100 -0.363 0.000 0.761 180 P CB 0.376 31.657 31.700 -0.699 0.000 0.785 181 W N 3.202 124.466 121.300 -0.060 0.000 2.274 181 W HA -0.292 4.370 4.660 0.005 0.000 0.314 181 W C 1.846 178.475 176.519 0.182 0.000 1.254 181 W CA 2.487 59.866 57.345 0.057 0.000 1.265 181 W CB -0.639 28.841 29.460 0.034 0.000 1.141 181 W HN 0.438 nan 8.180 nan 0.000 0.505 182 S N -0.366 115.561 115.700 0.378 0.000 2.442 182 S HA -0.226 4.247 4.470 0.005 0.000 0.236 182 S C 1.533 176.398 174.600 0.442 0.000 1.007 182 S CA 1.126 59.555 58.200 0.383 0.000 0.965 182 S CB -1.172 62.251 63.200 0.372 0.000 0.773 182 S HN 0.103 nan 8.310 nan 0.000 0.504 183 F N 1.220 121.239 119.950 0.115 0.000 2.234 183 F HA 0.276 4.806 4.527 0.005 0.000 0.299 183 F C 1.062 176.900 175.800 0.063 0.000 1.087 183 F CA -0.867 57.213 58.000 0.133 0.000 1.340 183 F CB -0.991 38.047 39.000 0.063 0.000 1.031 183 F HN 0.295 nan 8.300 nan 0.000 0.500 184 F N 2.435 122.418 119.950 0.056 0.000 2.662 184 F HA 0.151 4.681 4.527 0.005 0.000 0.343 184 F C 0.292 176.053 175.800 -0.064 0.000 1.302 184 F CA 0.108 58.057 58.000 -0.084 0.000 1.142 184 F CB -0.624 38.190 39.000 -0.310 0.000 1.524 184 F HN -0.128 nan 8.300 nan 0.000 0.668 185 N N 4.373 122.985 118.700 -0.147 0.000 2.484 185 N HA 0.143 4.886 4.740 0.005 0.000 0.269 185 N C 0.776 176.145 175.510 -0.236 0.000 1.237 185 N CA -0.554 52.432 53.050 -0.106 0.000 0.838 185 N CB 1.524 40.014 38.487 0.005 0.000 1.593 185 N HN 0.522 nan 8.380 nan 0.000 0.485 186 I N 1.167 121.637 120.570 -0.166 0.000 2.236 186 I HA -0.233 3.940 4.170 0.005 0.000 0.249 186 I C 0.480 176.504 176.117 -0.154 0.000 1.102 186 I CA 1.291 62.504 61.300 -0.145 0.000 1.365 186 I CB -0.067 37.894 38.000 -0.066 0.000 1.051 186 I HN 0.435 nan 8.210 nan 0.000 0.420 187 H N 0.833 119.691 119.070 -0.355 0.000 3.045 187 H HA 0.341 4.900 4.556 0.005 0.000 0.254 187 H C 0.420 175.097 175.328 -1.085 0.000 1.747 187 H CA 0.099 55.793 56.048 -0.591 0.000 1.444 187 H CB -0.355 29.283 29.762 -0.207 0.000 1.778 187 H HN 0.481 nan 8.280 nan 0.000 0.544 188 G N 0.827 108.726 108.800 -1.501 0.000 2.340 188 G HA2 -0.147 3.816 3.960 0.005 0.000 0.282 188 G HA3 -0.147 3.816 3.960 0.005 0.000 0.282 188 G C 0.086 174.626 174.900 -0.599 0.000 1.312 188 G CA -0.606 43.794 45.100 -1.167 0.000 0.942 188 G HN 0.337 nan 8.290 nan 0.000 0.495 189 L N -0.366 120.712 121.223 -0.242 0.000 2.675 189 L HA 0.458 4.801 4.340 0.005 0.000 0.238 189 L C 0.884 177.617 176.870 -0.229 0.000 1.155 189 L CA 1.095 55.859 54.840 -0.126 0.000 0.881 189 L CB -1.130 40.968 42.059 0.065 0.000 1.008 189 L HN 0.660 nan 8.230 nan 0.000 0.443 190 E N 1.074 121.009 120.200 -0.442 0.000 2.344 190 E HA 0.355 4.708 4.350 0.005 0.000 0.270 190 E C -1.028 175.453 176.600 -0.198 0.000 1.021 190 E CA -0.010 56.008 56.400 -0.636 0.000 0.887 190 E CB 0.406 29.614 29.700 -0.820 0.000 0.997 190 E HN 0.220 nan 8.360 nan 0.000 0.429 191 F N 4.827 124.615 119.950 -0.271 0.000 2.689 191 F HA 0.308 4.838 4.527 0.005 0.000 0.332 191 F C -0.774 174.984 175.800 -0.070 0.000 1.209 191 F CA -0.842 57.077 58.000 -0.135 0.000 1.028 191 F CB 1.120 40.067 39.000 -0.089 0.000 1.291 191 F HN 0.615 nan 8.300 nan 0.000 0.500 192 N N 4.617 122.901 118.700 -0.694 0.000 2.678 192 N HA -0.211 4.532 4.740 0.005 0.000 0.268 192 N C 1.082 176.524 175.510 -0.113 0.000 1.010 192 N CA 1.716 54.509 53.050 -0.429 0.000 0.784 192 N CB -0.724 37.450 38.487 -0.521 0.000 0.905 192 N HN 1.426 nan 8.380 nan 0.000 0.552 193 G N -1.030 107.751 108.800 -0.032 0.000 2.184 193 G HA2 -0.341 3.622 3.960 0.005 0.000 0.264 193 G HA3 -0.341 3.622 3.960 0.005 0.000 0.264 193 G C 0.076 175.139 174.900 0.271 0.000 0.975 193 G CA 1.058 46.236 45.100 0.129 0.000 0.642 193 G HN 0.598 nan 8.290 nan 0.000 0.536 194 Q N -1.158 118.762 119.800 0.201 0.000 2.587 194 Q HA 0.720 5.063 4.340 0.005 0.000 0.293 194 Q C -0.012 176.107 176.000 0.198 0.000 1.083 194 Q CA -1.135 54.842 55.803 0.289 0.000 0.792 194 Q CB 1.761 30.634 28.738 0.224 0.000 1.484 194 Q HN 0.272 nan 8.270 nan 0.000 0.446 195 I N 1.039 121.801 120.570 0.319 0.000 2.634 195 I HA 0.131 4.304 4.170 0.005 0.000 0.284 195 I C -0.023 176.261 176.117 0.278 0.000 1.124 195 I CA 0.449 61.921 61.300 0.287 0.000 1.417 195 I CB 0.945 39.218 38.000 0.455 0.000 1.396 195 I HN 0.328 nan 8.210 nan 0.000 0.571 196 S N 5.557 121.404 115.700 0.245 0.000 2.789 196 S HA 0.344 4.817 4.470 0.005 0.000 0.286 196 S C 0.668 175.474 174.600 0.343 0.000 1.153 196 S CA -0.614 57.715 58.200 0.215 0.000 1.084 196 S CB 0.306 63.509 63.200 0.004 0.000 1.036 196 S HN 0.437 nan 8.310 nan 0.000 0.484 197 F N 3.034 123.115 119.950 0.218 0.000 2.192 197 F HA -0.056 4.474 4.527 0.005 0.000 0.301 197 F C 1.843 177.727 175.800 0.141 0.000 1.079 197 F CA 0.988 59.147 58.000 0.265 0.000 1.303 197 F CB -0.516 38.794 39.000 0.516 0.000 1.024 197 F HN 0.611 nan 8.300 nan 0.000 0.494 198 L N 0.546 121.953 121.223 0.306 0.000 2.023 198 L HA -0.121 4.222 4.340 0.005 0.000 0.205 198 L C 2.396 179.271 176.870 0.008 0.000 1.073 198 L CA 1.892 56.843 54.840 0.185 0.000 0.745 198 L CB -1.166 40.972 42.059 0.132 0.000 0.900 198 L HN -0.018 nan 8.230 nan 0.000 0.435 199 K N 0.297 120.660 120.400 -0.063 0.000 2.074 199 K HA -0.148 4.175 4.320 0.005 0.000 0.209 199 K C 1.910 178.463 176.600 -0.079 0.000 1.048 199 K CA 1.745 57.977 56.287 -0.092 0.000 0.926 199 K CB -0.776 31.667 32.500 -0.095 0.000 0.713 199 K HN 0.474 nan 8.250 nan 0.000 0.444 200 A N 0.206 123.007 122.820 -0.032 0.000 1.848 200 A HA -0.160 4.163 4.320 0.005 0.000 0.217 200 A C 2.493 180.012 177.584 -0.108 0.000 1.220 200 A CA 2.502 54.542 52.037 0.005 0.000 0.645 200 A CB -1.818 17.196 19.000 0.025 0.000 0.842 200 A HN 0.513 nan 8.150 nan 0.000 0.451 201 G N -0.722 107.873 108.800 -0.342 0.000 2.503 201 G HA2 -0.230 3.733 3.960 0.005 0.000 0.221 201 G HA3 -0.230 3.733 3.960 0.005 0.000 0.221 201 G C 1.574 176.129 174.900 -0.575 0.000 1.131 201 G CA 1.251 45.827 45.100 -0.873 0.000 0.756 201 G HN 0.443 nan 8.290 nan 0.000 0.572 202 L N -1.556 119.502 121.223 -0.275 0.000 2.093 202 L HA -0.007 4.336 4.340 0.005 0.000 0.208 202 L C 2.543 179.366 176.870 -0.077 0.000 1.085 202 L CA 1.144 55.969 54.840 -0.025 0.000 0.755 202 L CB -0.338 41.745 42.059 0.039 0.000 0.904 202 L HN 0.343 nan 8.230 nan 0.000 0.435 203 Y N -0.907 119.209 120.300 -0.306 0.000 2.206 203 Y HA -0.242 4.311 4.550 0.005 0.000 0.292 203 Y C 2.264 177.866 175.900 -0.496 0.000 1.123 203 Y CA 1.517 59.332 58.100 -0.474 0.000 1.142 203 Y CB -0.111 37.900 38.460 -0.748 0.000 1.006 203 Y HN 0.009 nan 8.280 nan 0.000 0.518 204 Y N 0.211 120.424 120.300 -0.144 0.000 2.516 204 Y HA 0.184 4.737 4.550 0.005 0.000 0.291 204 Y C 1.461 177.256 175.900 -0.174 0.000 1.131 204 Y CA -0.255 57.722 58.100 -0.204 0.000 1.281 204 Y CB -0.316 38.071 38.460 -0.123 0.000 1.013 204 Y HN 0.078 nan 8.280 nan 0.000 0.554 205 A N 0.636 123.434 122.820 -0.036 0.000 2.445 205 A HA -0.017 4.305 4.320 0.005 0.000 0.242 205 A C 0.950 178.533 177.584 -0.002 0.000 1.075 205 A CA -0.193 51.857 52.037 0.021 0.000 0.777 205 A CB 0.172 19.233 19.000 0.102 0.000 1.013 205 A HN 0.336 nan 8.150 nan 0.000 0.493 206 D N -0.312 120.107 120.400 0.032 0.000 2.178 206 D HA -0.070 4.573 4.640 0.005 0.000 0.201 206 D C 0.380 176.727 176.300 0.079 0.000 0.980 206 D CA 1.634 55.651 54.000 0.029 0.000 0.842 206 D CB 0.106 40.929 40.800 0.038 0.000 0.948 206 D HN 0.656 nan 8.370 nan 0.000 0.472 207 H N -0.900 118.170 119.070 -0.001 0.000 3.046 207 H HA 0.397 4.956 4.556 0.005 0.000 0.363 207 H C -1.142 174.215 175.328 0.049 0.000 1.203 207 H CA -0.526 55.528 56.048 0.010 0.000 1.169 207 H CB 1.352 31.122 29.762 0.014 0.000 1.851 207 H HN -0.216 nan 8.280 nan 0.000 0.546 208 I N 1.690 122.236 120.570 -0.041 0.000 2.797 208 I HA 0.386 4.559 4.170 0.005 0.000 0.307 208 I C -0.011 176.223 176.117 0.195 0.000 1.033 208 I CA -0.763 60.614 61.300 0.129 0.000 1.071 208 I CB 2.308 40.337 38.000 0.049 0.000 1.255 208 I HN 0.406 nan 8.210 nan 0.000 0.445 209 T N 2.346 116.997 114.554 0.163 0.000 2.916 209 T HA 0.690 5.043 4.350 0.005 0.000 0.298 209 T C -0.745 173.997 174.700 0.070 0.000 1.031 209 T CA -0.424 61.780 62.100 0.173 0.000 0.993 209 T CB 1.953 71.007 68.868 0.309 0.000 1.045 209 T HN 0.732 nan 8.240 nan 0.000 0.454 210 A N 1.456 124.320 122.820 0.073 0.000 2.313 210 A HA 0.718 5.041 4.320 0.005 0.000 0.323 210 A C 1.282 178.944 177.584 0.130 0.000 1.133 210 A CA -0.613 51.470 52.037 0.077 0.000 0.847 210 A CB 0.675 19.697 19.000 0.037 0.000 1.308 210 A HN 0.959 nan 8.150 nan 0.000 0.475 211 V N -0.946 119.076 119.914 0.181 0.000 3.510 211 V HA 0.247 4.370 4.120 0.005 0.000 0.270 211 V C 0.582 176.740 176.094 0.107 0.000 1.201 211 V CA 1.024 63.415 62.300 0.152 0.000 1.166 211 V CB -1.957 29.957 31.823 0.152 0.000 0.825 211 V HN 1.201 nan 8.190 nan 0.000 0.484 212 S N -2.941 112.836 115.700 0.129 0.000 2.537 212 S HA 0.591 5.064 4.470 0.005 0.000 0.271 212 S C -2.415 172.225 174.600 0.067 0.000 1.148 212 S CA -0.928 57.314 58.200 0.069 0.000 0.868 212 S CB 1.871 65.100 63.200 0.048 0.000 1.115 212 S HN -0.028 nan 8.310 nan 0.000 0.461 213 P HA -0.207 nan 4.420 nan 0.000 0.217 213 P C 1.854 179.163 177.300 0.015 0.000 1.158 213 P CA 2.899 66.008 63.100 0.016 0.000 0.887 213 P CB -0.215 31.487 31.700 0.003 0.000 0.792 214 T N -4.327 110.238 114.554 0.019 0.000 2.937 214 T HA -0.160 4.193 4.350 0.005 0.000 0.260 214 T C 1.873 176.580 174.700 0.011 0.000 1.051 214 T CA 0.533 62.631 62.100 -0.003 0.000 1.141 214 T CB -1.397 67.462 68.868 -0.015 0.000 0.879 214 T HN -0.062 nan 8.240 nan 0.000 0.459 215 Y N 2.373 122.638 120.300 -0.058 0.000 2.384 215 Y HA 0.144 4.697 4.550 0.005 0.000 0.289 215 Y C 2.503 178.372 175.900 -0.052 0.000 1.152 215 Y CA 0.257 58.331 58.100 -0.044 0.000 1.258 215 Y CB -0.927 37.550 38.460 0.028 0.000 0.979 215 Y HN 0.383 nan 8.280 nan 0.000 0.549 216 A N 0.370 123.141 122.820 -0.082 0.000 1.841 216 A HA -0.172 4.151 4.320 0.005 0.000 0.214 216 A C 2.386 179.872 177.584 -0.163 0.000 1.195 216 A CA 1.736 53.697 52.037 -0.126 0.000 0.611 216 A CB -0.644 18.345 19.000 -0.018 0.000 0.835 216 A HN 0.452 nan 8.150 nan 0.000 0.443 217 R N -0.546 119.876 120.500 -0.130 0.000 2.105 217 R HA -0.146 4.197 4.340 0.005 0.000 0.239 217 R C 2.178 178.289 176.300 -0.314 0.000 1.135 217 R CA 1.644 57.624 56.100 -0.200 0.000 0.967 217 R CB -0.275 29.935 30.300 -0.151 0.000 0.861 217 R HN 0.701 nan 8.270 nan 0.000 0.442 218 E N 0.500 120.474 120.200 -0.377 0.000 2.085 218 E HA -0.192 4.161 4.350 0.005 0.000 0.194 218 E C 1.826 178.030 176.600 -0.661 0.000 0.994 218 E CA 1.488 57.474 56.400 -0.689 0.000 0.801 218 E CB -0.117 29.097 29.700 -0.810 0.000 0.743 218 E HN 0.489 nan 8.360 nan 0.000 0.453 219 I N -0.860 119.423 120.570 -0.478 0.000 3.291 219 I HA -0.049 4.124 4.170 0.005 0.000 0.279 219 I C 2.046 178.063 176.117 -0.167 0.000 1.294 219 I CA 1.140 62.272 61.300 -0.279 0.000 1.428 219 I CB -0.502 37.281 38.000 -0.362 0.000 1.070 219 I HN -0.016 nan 8.210 nan 0.000 0.478 220 T N -1.555 112.870 114.554 -0.214 0.000 3.085 220 T HA 0.093 4.446 4.350 0.005 0.000 0.263 220 T C 0.662 175.288 174.700 -0.123 0.000 1.127 220 T CA 0.124 62.126 62.100 -0.163 0.000 1.103 220 T CB -0.433 68.293 68.868 -0.237 0.000 0.921 220 T HN 0.542 nan 8.240 nan 0.000 0.510 221 E N 2.183 122.305 120.200 -0.130 0.000 2.283 221 E HA 0.199 4.552 4.350 0.005 0.000 0.278 221 E C -1.909 174.727 176.600 0.060 0.000 1.027 221 E CA -2.501 53.878 56.400 -0.035 0.000 0.843 221 E CB 1.444 31.129 29.700 -0.025 0.000 1.062 221 E HN 0.109 nan 8.360 nan 0.000 0.401 222 P HA -0.211 nan 4.420 nan 0.000 0.218 222 P C 0.913 178.205 177.300 -0.012 0.000 1.148 222 P CA 1.367 64.476 63.100 0.015 0.000 0.822 222 P CB 0.216 31.914 31.700 -0.004 0.000 0.784 223 Q N -1.579 118.229 119.800 0.013 0.000 2.112 223 Q HA -0.178 4.165 4.340 0.005 0.000 0.206 223 Q C 1.718 177.509 176.000 -0.348 0.000 0.987 223 Q CA 1.466 57.170 55.803 -0.165 0.000 0.858 223 Q CB -0.675 27.950 28.738 -0.189 0.000 0.905 223 Q HN 0.310 nan 8.270 nan 0.000 0.420 224 F N -0.167 119.634 119.950 -0.249 0.000 2.387 224 F HA 0.173 4.703 4.527 0.005 0.000 0.294 224 F C 2.148 177.844 175.800 -0.174 0.000 1.093 224 F CA 0.557 58.407 58.000 -0.250 0.000 1.420 224 F CB -0.253 38.690 39.000 -0.096 0.000 1.086 224 F HN -0.015 nan 8.300 nan 0.000 0.531 225 A N -1.211 121.655 122.820 0.076 0.000 2.239 225 A HA -0.065 4.258 4.320 0.005 0.000 0.209 225 A C 0.067 177.795 177.584 0.240 0.000 1.171 225 A CA -0.085 52.036 52.037 0.139 0.000 0.768 225 A CB -1.655 17.391 19.000 0.077 0.000 0.790 225 A HN 0.458 nan 8.150 nan 0.000 0.478 226 Y N -1.245 119.065 120.300 0.017 0.000 3.007 226 Y HA -0.231 4.322 4.550 0.005 0.000 0.212 226 Y C 1.537 177.494 175.900 0.095 0.000 1.180 226 Y CA 0.868 58.985 58.100 0.028 0.000 1.076 226 Y CB -2.168 36.293 38.460 0.002 0.000 1.254 226 Y HN 0.902 nan 8.280 nan 0.000 0.534 227 G N -1.180 107.735 108.800 0.192 0.000 2.168 227 G HA2 -0.344 3.618 3.960 0.005 0.000 0.263 227 G HA3 -0.344 3.618 3.960 0.005 0.000 0.263 227 G C 0.584 175.665 174.900 0.301 0.000 0.977 227 G CA 0.449 45.697 45.100 0.248 0.000 0.659 227 G HN 0.413 nan 8.290 nan 0.000 0.533 228 M N 1.087 120.805 119.600 0.196 0.000 2.549 228 M HA 0.148 4.631 4.480 0.005 0.000 0.273 228 M C 2.046 178.397 176.300 0.084 0.000 1.213 228 M CA 0.724 56.108 55.300 0.139 0.000 0.976 228 M CB -0.139 32.491 32.600 0.050 0.000 1.457 228 M HN 0.558 nan 8.290 nan 0.000 0.485 229 E N 0.523 120.768 120.200 0.075 0.000 2.077 229 E HA -0.129 4.224 4.350 0.005 0.000 0.193 229 E C 1.772 178.382 176.600 0.017 0.000 0.989 229 E CA 1.780 58.198 56.400 0.030 0.000 0.800 229 E CB -0.769 28.943 29.700 0.019 0.000 0.746 229 E HN 0.423 nan 8.360 nan 0.000 0.452 230 G N 2.659 111.477 108.800 0.030 0.000 2.545 230 G HA2 -0.282 3.681 3.960 0.005 0.000 0.217 230 G HA3 -0.282 3.681 3.960 0.005 0.000 0.217 230 G C 1.697 176.601 174.900 0.007 0.000 1.218 230 G CA 1.272 46.383 45.100 0.018 0.000 0.787 230 G HN 0.274 nan 8.290 nan 0.000 0.571 231 L N 0.070 121.301 121.223 0.014 0.000 1.990 231 L HA -0.097 4.246 4.340 0.005 0.000 0.213 231 L C 3.030 179.893 176.870 -0.013 0.000 1.072 231 L CA 1.331 56.170 54.840 -0.001 0.000 0.755 231 L CB -0.318 41.754 42.059 0.023 0.000 0.889 231 L HN 0.265 nan 8.230 nan 0.000 0.432 232 L N -0.609 120.611 121.223 -0.005 0.000 2.013 232 L HA -0.331 4.012 4.340 0.005 0.000 0.212 232 L C 2.651 179.515 176.870 -0.010 0.000 1.073 232 L CA 1.744 56.574 54.840 -0.016 0.000 0.753 232 L CB -0.623 41.422 42.059 -0.024 0.000 0.890 232 L HN 0.379 nan 8.230 nan 0.000 0.432 233 Q N -0.738 119.052 119.800 -0.017 0.000 2.135 233 Q HA -0.287 4.056 4.340 0.005 0.000 0.204 233 Q C 2.246 178.262 176.000 0.026 0.000 0.981 233 Q CA 1.833 57.628 55.803 -0.013 0.000 0.856 233 Q CB -0.150 28.571 28.738 -0.028 0.000 0.902 233 Q HN 0.490 nan 8.270 nan 0.000 0.425 234 Q N 0.225 120.024 119.800 -0.002 0.000 2.016 234 Q HA -0.181 4.162 4.340 0.005 0.000 0.200 234 Q C 1.929 177.911 176.000 -0.030 0.000 0.978 234 Q CA 0.928 56.722 55.803 -0.016 0.000 0.833 234 Q CB 0.117 28.829 28.738 -0.043 0.000 0.895 234 Q HN 0.170 nan 8.270 nan 0.000 0.427 235 R N 0.052 120.521 120.500 -0.052 0.000 2.139 235 R HA -0.179 4.164 4.340 0.005 0.000 0.243 235 R C 2.245 178.495 176.300 -0.083 0.000 1.145 235 R CA 1.458 57.502 56.100 -0.093 0.000 0.976 235 R CB -1.076 29.157 30.300 -0.113 0.000 0.866 235 R HN 0.553 nan 8.270 nan 0.000 0.449 236 H N 1.344 120.352 119.070 -0.104 0.000 2.299 236 H HA -0.016 4.543 4.556 0.005 0.000 0.302 236 H C 1.909 177.195 175.328 -0.070 0.000 1.078 236 H CA 1.692 57.686 56.048 -0.091 0.000 1.323 236 H CB 0.228 29.941 29.762 -0.082 0.000 1.381 236 H HN 0.093 nan 8.280 nan 0.000 0.498 237 R N 0.506 121.049 120.500 0.071 0.000 2.113 237 R HA -0.183 4.160 4.340 0.005 0.000 0.244 237 R C 2.355 178.616 176.300 -0.065 0.000 1.142 237 R CA 2.133 58.243 56.100 0.016 0.000 0.953 237 R CB -0.270 30.042 30.300 0.020 0.000 0.860 237 R HN 0.560 nan 8.270 nan 0.000 0.438 238 E N -0.689 119.464 120.200 -0.078 0.000 2.338 238 E HA -0.025 4.328 4.350 0.005 0.000 0.197 238 E C 0.901 177.432 176.600 -0.115 0.000 1.007 238 E CA 0.520 56.867 56.400 -0.089 0.000 0.849 238 E CB 0.138 29.784 29.700 -0.090 0.000 0.774 238 E HN 0.601 nan 8.360 nan 0.000 0.506 239 G N 2.058 110.749 108.800 -0.182 0.000 2.149 239 G HA2 -0.317 3.646 3.960 0.005 0.000 0.235 239 G HA3 -0.317 3.646 3.960 0.005 0.000 0.235 239 G C 0.359 175.168 174.900 -0.153 0.000 1.018 239 G CA 0.334 45.324 45.100 -0.184 0.000 0.728 239 G HN 0.350 nan 8.290 nan 0.000 0.508 240 R N -1.153 119.189 120.500 -0.263 0.000 2.700 240 R HA 0.577 4.920 4.340 0.005 0.000 0.399 240 R C -0.195 175.580 176.300 -0.874 0.000 1.115 240 R CA -0.597 55.178 56.100 -0.542 0.000 1.058 240 R CB 0.677 30.812 30.300 -0.274 0.000 1.389 240 R HN 0.420 nan 8.270 nan 0.000 0.582 241 L N 1.178 122.080 121.223 -0.535 0.000 2.457 241 L HA 0.451 4.794 4.340 0.005 0.000 0.266 241 L C -0.820 175.990 176.870 -0.101 0.000 0.979 241 L CA -0.384 54.278 54.840 -0.298 0.000 0.857 241 L CB 1.843 43.840 42.059 -0.103 0.000 1.213 241 L HN 0.309 nan 8.230 nan 0.000 0.418 242 S N 2.662 118.395 115.700 0.055 0.000 2.704 242 S HA 1.003 5.476 4.470 0.005 0.000 0.296 242 S C -0.365 174.294 174.600 0.097 0.000 1.138 242 S CA -0.193 58.073 58.200 0.111 0.000 0.875 242 S CB 1.684 64.979 63.200 0.158 0.000 1.151 242 S HN 0.907 nan 8.310 nan 0.000 0.500 243 G N -0.171 108.659 108.800 0.051 0.000 2.452 243 G HA2 0.642 4.605 3.960 0.005 0.000 0.324 243 G HA3 0.642 4.605 3.960 0.005 0.000 0.324 243 G C -1.537 173.352 174.900 -0.018 0.000 1.214 243 G CA -0.788 44.336 45.100 0.039 0.000 0.947 243 G HN 0.933 nan 8.290 nan 0.000 0.478 244 V N 2.598 122.493 119.914 -0.031 0.000 2.588 244 V HA 0.343 4.466 4.120 0.005 0.000 0.304 244 V C -0.433 175.644 176.094 -0.028 0.000 1.042 244 V CA -0.935 61.277 62.300 -0.146 0.000 0.877 244 V CB 1.659 33.151 31.823 -0.551 0.000 0.996 244 V HN 0.659 nan 8.190 nan 0.000 0.425 245 L N 4.401 125.599 121.223 -0.042 0.000 2.426 245 L HA 0.323 4.666 4.340 0.005 0.000 0.271 245 L C 0.571 177.411 176.870 -0.050 0.000 1.169 245 L CA 0.609 55.427 54.840 -0.036 0.000 0.836 245 L CB 0.192 42.236 42.059 -0.024 0.000 1.112 245 L HN 0.720 nan 8.230 nan 0.000 0.465 246 N N 0.813 119.462 118.700 -0.084 0.000 2.347 246 N HA 0.532 5.275 4.740 0.005 0.000 0.253 246 N C -0.085 175.048 175.510 -0.628 0.000 1.274 246 N CA 0.064 52.993 53.050 -0.202 0.000 0.941 246 N CB 0.539 39.023 38.487 -0.004 0.000 1.200 246 N HN 0.751 nan 8.380 nan 0.000 0.514 247 G N -0.924 106.931 108.800 -1.574 0.000 2.735 247 G HA2 0.554 4.517 3.960 0.005 0.000 0.301 247 G HA3 0.554 4.517 3.960 0.005 0.000 0.301 247 G C -1.412 172.856 174.900 -1.053 0.000 1.279 247 G CA -0.338 43.710 45.100 -1.754 0.000 1.019 247 G HN 0.351 nan 8.290 nan 0.000 0.497 248 V N 0.825 120.393 119.914 -0.578 0.000 2.407 248 V HA 0.238 4.361 4.120 0.005 0.000 0.291 248 V C -0.915 175.340 176.094 0.267 0.000 1.018 248 V CA -0.640 61.663 62.300 0.005 0.000 0.842 248 V CB 1.538 33.389 31.823 0.047 0.000 0.996 248 V HN 0.807 nan 8.190 nan 0.000 0.426 249 D N 3.657 124.366 120.400 0.514 0.000 2.348 249 D HA 0.004 4.647 4.640 0.005 0.000 0.259 249 D C 1.293 177.801 176.300 0.347 0.000 1.296 249 D CA 0.391 54.671 54.000 0.467 0.000 0.931 249 D CB 0.890 41.915 40.800 0.376 0.000 1.067 249 D HN 0.728 nan 8.370 nan 0.000 0.503 250 E N 3.157 123.523 120.200 0.276 0.000 2.187 250 E HA -0.313 4.040 4.350 0.005 0.000 0.199 250 E C 1.157 177.854 176.600 0.161 0.000 1.004 250 E CA 1.315 57.839 56.400 0.206 0.000 0.813 250 E CB 0.270 30.055 29.700 0.142 0.000 0.736 250 E HN 0.394 nan 8.360 nan 0.000 0.468 251 K N -0.028 120.461 120.400 0.148 0.000 2.026 251 K HA -0.122 4.201 4.320 0.005 0.000 0.208 251 K C 2.057 178.696 176.600 0.066 0.000 1.048 251 K CA 1.802 58.146 56.287 0.095 0.000 0.929 251 K CB -0.089 32.469 32.500 0.096 0.000 0.713 251 K HN 0.245 nan 8.250 nan 0.000 0.439 252 I N -1.799 118.815 120.570 0.073 0.000 2.339 252 I HA -0.093 4.080 4.170 0.005 0.000 0.245 252 I C 0.354 176.389 176.117 -0.138 0.000 1.096 252 I CA 0.550 61.802 61.300 -0.080 0.000 1.408 252 I CB 0.033 37.925 38.000 -0.180 0.000 1.092 252 I HN 0.079 nan 8.210 nan 0.000 0.423 253 W N 1.450 122.835 121.300 0.142 0.000 2.318 253 W HA 0.570 5.233 4.660 0.005 0.000 0.315 253 W C 0.087 176.766 176.519 0.266 0.000 1.033 253 W CA -0.427 57.030 57.345 0.186 0.000 1.275 253 W CB 1.532 31.006 29.460 0.022 0.000 1.250 253 W HN -0.150 nan 8.180 nan 0.000 0.421 254 S N 4.178 120.152 115.700 0.457 0.000 2.574 254 S HA 0.077 4.550 4.470 0.005 0.000 0.331 254 S C -2.261 172.087 174.600 -0.420 0.000 0.901 254 S CA -0.962 57.217 58.200 -0.036 0.000 0.834 254 S CB 0.890 64.103 63.200 0.021 0.000 1.102 254 S HN 0.215 nan 8.310 nan 0.000 0.473 255 P HA -0.039 nan 4.420 nan 0.000 0.228 255 P C 0.793 177.719 177.300 -0.624 0.000 1.151 255 P CA 0.904 63.360 63.100 -1.074 0.000 0.770 255 P CB 0.021 30.704 31.700 -1.696 0.000 0.786 256 E N -0.266 119.699 120.200 -0.392 0.000 2.216 256 E HA -0.055 4.298 4.350 0.005 0.000 0.192 256 E C 1.607 178.121 176.600 -0.143 0.000 0.988 256 E CA 1.680 57.944 56.400 -0.227 0.000 0.834 256 E CB -0.275 29.338 29.700 -0.145 0.000 0.772 256 E HN 0.377 nan 8.360 nan 0.000 0.479 257 T N -2.230 112.248 114.554 -0.126 0.000 3.016 257 T HA -0.003 4.350 4.350 0.005 0.000 0.271 257 T C 0.403 175.067 174.700 -0.059 0.000 0.968 257 T CA -0.463 61.595 62.100 -0.070 0.000 0.891 257 T CB 0.204 69.046 68.868 -0.045 0.000 1.149 257 T HN -0.188 nan 8.240 nan 0.000 0.524 258 D N 2.178 122.540 120.400 -0.063 0.000 2.402 258 D HA 0.061 4.704 4.640 0.005 0.000 0.268 258 D C 1.135 177.413 176.300 -0.036 0.000 1.294 258 D CA -0.103 53.882 54.000 -0.025 0.000 0.945 258 D CB 0.375 41.227 40.800 0.088 0.000 1.112 258 D HN 0.401 nan 8.370 nan 0.000 0.517 259 L N 3.742 124.927 121.223 -0.064 0.000 2.465 259 L HA -0.057 4.286 4.340 0.005 0.000 0.224 259 L C 2.108 178.948 176.870 -0.049 0.000 1.145 259 L CA 0.213 55.023 54.840 -0.052 0.000 0.834 259 L CB -0.053 41.971 42.059 -0.057 0.000 0.944 259 L HN 0.425 nan 8.230 nan 0.000 0.451 260 L N -0.120 121.057 121.223 -0.078 0.000 2.552 260 L HA 0.043 4.386 4.340 0.005 0.000 0.227 260 L C 0.574 177.458 176.870 0.023 0.000 1.146 260 L CA 0.206 55.011 54.840 -0.059 0.000 0.858 260 L CB -0.046 41.913 42.059 -0.166 0.000 0.969 260 L HN 0.216 nan 8.230 nan 0.000 0.451 261 L N -1.378 119.874 121.223 0.048 0.000 2.334 261 L HA 0.381 4.724 4.340 0.005 0.000 0.275 261 L C 1.461 178.377 176.870 0.077 0.000 1.036 261 L CA -0.440 54.455 54.840 0.093 0.000 0.807 261 L CB 1.407 43.547 42.059 0.137 0.000 1.231 261 L HN -0.099 nan 8.230 nan 0.000 0.438 262 A N 1.505 124.377 122.820 0.087 0.000 1.978 262 A HA -0.102 4.220 4.320 0.005 0.000 0.220 262 A C 1.088 178.717 177.584 0.075 0.000 1.170 262 A CA 1.703 53.783 52.037 0.072 0.000 0.636 262 A CB -0.113 18.930 19.000 0.071 0.000 0.810 262 A HN 0.578 nan 8.150 nan 0.000 0.448 263 S N -1.380 114.385 115.700 0.108 0.000 2.689 263 S HA 0.532 5.005 4.470 0.005 0.000 0.274 263 S C -0.637 174.065 174.600 0.171 0.000 1.176 263 S CA -0.769 57.502 58.200 0.118 0.000 1.014 263 S CB 0.697 63.964 63.200 0.111 0.000 1.071 263 S HN 0.444 nan 8.310 nan 0.000 0.478 264 R N 2.458 123.012 120.500 0.090 0.000 2.643 264 R HA 0.503 4.846 4.340 0.005 0.000 0.270 264 R C -0.626 175.735 176.300 0.101 0.000 1.061 264 R CA 0.197 56.304 56.100 0.012 0.000 1.107 264 R CB 0.318 30.596 30.300 -0.037 0.000 0.999 264 R HN 0.691 nan 8.270 nan 0.000 0.460 265 Y N -2.694 117.580 120.300 -0.042 0.000 2.670 265 Y HA 0.617 5.170 4.550 0.005 0.000 0.334 265 Y C -0.841 175.026 175.900 -0.056 0.000 1.185 265 Y CA -1.318 56.762 58.100 -0.035 0.000 1.053 265 Y CB 1.121 39.571 38.460 -0.015 0.000 1.298 265 Y HN 0.645 nan 8.280 nan 0.000 0.459 266 T N -2.170 112.467 114.554 0.139 0.000 2.926 266 T HA 0.359 4.712 4.350 0.005 0.000 0.289 266 T C 0.643 175.421 174.700 0.131 0.000 1.054 266 T CA -0.928 61.200 62.100 0.046 0.000 1.015 266 T CB 2.055 70.931 68.868 0.012 0.000 1.167 266 T HN 1.002 nan 8.240 nan 0.000 0.526 267 R N 0.322 120.858 120.500 0.059 0.000 2.211 267 R HA -0.152 4.191 4.340 0.005 0.000 0.240 267 R C -0.195 176.134 176.300 0.048 0.000 1.144 267 R CA 2.165 58.298 56.100 0.054 0.000 0.992 267 R CB -0.500 29.805 30.300 0.008 0.000 0.869 267 R HN 0.830 nan 8.270 nan 0.000 0.462 268 D N -1.495 118.932 120.400 0.046 0.000 2.696 268 D HA 0.030 4.673 4.640 0.005 0.000 0.269 268 D C -0.299 176.028 176.300 0.045 0.000 1.319 268 D CA -0.188 53.834 54.000 0.037 0.000 0.826 268 D CB 1.170 41.983 40.800 0.022 0.000 1.086 268 D HN 0.144 nan 8.370 nan 0.000 0.481 269 T N -2.550 112.047 114.554 0.072 0.000 3.748 269 T HA 0.210 4.563 4.350 0.005 0.000 0.281 269 T C 0.975 175.717 174.700 0.069 0.000 0.977 269 T CA -0.425 61.716 62.100 0.069 0.000 1.056 269 T CB -0.784 68.132 68.868 0.080 0.000 1.138 269 T HN 0.077 nan 8.240 nan 0.000 0.498 270 L N 0.748 121.996 121.223 0.041 0.000 2.549 270 L HA -0.031 4.312 4.340 0.005 0.000 0.230 270 L C 2.060 178.867 176.870 -0.105 0.000 1.162 270 L CA 1.008 55.820 54.840 -0.046 0.000 0.834 270 L CB -0.344 41.711 42.059 -0.007 0.000 0.947 270 L HN 0.388 nan 8.230 nan 0.000 0.452 271 E N -0.559 119.613 120.200 -0.047 0.000 2.208 271 E HA -0.173 4.180 4.350 0.005 0.000 0.193 271 E C 1.391 177.956 176.600 -0.058 0.000 0.988 271 E CA 0.798 57.168 56.400 -0.049 0.000 0.828 271 E CB -0.206 29.481 29.700 -0.022 0.000 0.763 271 E HN 0.335 nan 8.360 nan 0.000 0.478 272 D N 0.556 120.931 120.400 -0.042 0.000 2.312 272 D HA -0.088 4.555 4.640 0.005 0.000 0.211 272 D C 1.439 177.684 176.300 -0.091 0.000 0.964 272 D CA 0.682 54.675 54.000 -0.011 0.000 0.877 272 D CB -0.032 40.821 40.800 0.087 0.000 0.924 272 D HN 0.101 nan 8.370 nan 0.000 0.515 273 K N 0.454 120.646 120.400 -0.346 0.000 2.283 273 K HA -0.032 4.291 4.320 0.005 0.000 0.202 273 K C 1.841 178.336 176.600 -0.174 0.000 1.048 273 K CA 0.702 56.678 56.287 -0.519 0.000 0.948 273 K CB 0.080 32.029 32.500 -0.917 0.000 0.742 273 K HN 0.055 nan 8.250 nan 0.000 0.458 274 A N 1.264 124.020 122.820 -0.106 0.000 1.908 274 A HA -0.227 4.096 4.320 0.005 0.000 0.218 274 A C 1.956 179.534 177.584 -0.009 0.000 1.181 274 A CA 1.933 53.943 52.037 -0.044 0.000 0.627 274 A CB -0.547 18.432 19.000 -0.035 0.000 0.818 274 A HN 0.452 nan 8.150 nan 0.000 0.445 275 E N 0.847 121.049 120.200 0.003 0.000 2.038 275 E HA -0.217 4.136 4.350 0.005 0.000 0.195 275 E C 1.788 178.411 176.600 0.038 0.000 1.000 275 E CA 1.838 58.252 56.400 0.024 0.000 0.803 275 E CB -0.382 29.338 29.700 0.033 0.000 0.750 275 E HN 0.548 nan 8.360 nan 0.000 0.448 276 N N 0.707 119.438 118.700 0.052 0.000 2.096 276 N HA -0.251 4.492 4.740 0.005 0.000 0.195 276 N C 1.558 177.101 175.510 0.054 0.000 1.017 276 N CA 1.670 54.766 53.050 0.076 0.000 0.870 276 N CB -0.417 38.147 38.487 0.127 0.000 1.024 276 N HN 0.291 nan 8.380 nan 0.000 0.434 277 K N 0.994 121.413 120.400 0.031 0.000 1.965 277 K HA -0.083 4.240 4.320 0.005 0.000 0.214 277 K C 2.102 178.720 176.600 0.030 0.000 1.042 277 K CA 0.858 57.160 56.287 0.024 0.000 0.950 277 K CB -0.100 32.410 32.500 0.017 0.000 0.733 277 K HN -0.043 nan 8.250 nan 0.000 0.441 278 R N 0.797 121.314 120.500 0.027 0.000 2.234 278 R HA -0.359 3.984 4.340 0.005 0.000 0.241 278 R C 2.599 178.923 176.300 0.040 0.000 1.115 278 R CA 2.711 58.829 56.100 0.030 0.000 0.913 278 R CB -0.639 29.676 30.300 0.026 0.000 0.911 278 R HN 0.528 nan 8.270 nan 0.000 0.430 279 Q N -0.021 119.807 119.800 0.046 0.000 2.082 279 Q HA -0.256 4.087 4.340 0.005 0.000 0.211 279 Q C 2.108 178.155 176.000 0.077 0.000 1.002 279 Q CA 2.342 58.180 55.803 0.060 0.000 0.868 279 Q CB -0.398 28.380 28.738 0.067 0.000 0.931 279 Q HN 0.412 nan 8.270 nan 0.000 0.414 280 L N 1.024 122.290 121.223 0.071 0.000 1.990 280 L HA -0.279 4.064 4.340 0.005 0.000 0.213 280 L C 2.405 179.325 176.870 0.082 0.000 1.072 280 L CA 2.344 57.231 54.840 0.078 0.000 0.755 280 L CB -0.846 41.226 42.059 0.022 0.000 0.889 280 L HN 0.443 nan 8.230 nan 0.000 0.432 281 Q N -0.638 119.195 119.800 0.054 0.000 2.061 281 Q HA -0.243 4.100 4.340 0.005 0.000 0.204 281 Q C 2.340 178.374 176.000 0.057 0.000 0.984 281 Q CA 2.012 57.845 55.803 0.049 0.000 0.846 281 Q CB -0.515 28.244 28.738 0.036 0.000 0.902 281 Q HN 0.560 nan 8.270 nan 0.000 0.421 282 I N 1.583 122.184 120.570 0.053 0.000 2.053 282 I HA -0.342 3.831 4.170 0.005 0.000 0.236 282 I C 2.440 178.590 176.117 0.056 0.000 1.038 282 I CA 1.453 62.782 61.300 0.048 0.000 1.304 282 I CB -0.641 37.385 38.000 0.043 0.000 1.023 282 I HN 0.249 nan 8.210 nan 0.000 0.395 283 A N -0.669 122.199 122.820 0.081 0.000 2.245 283 A HA -0.233 4.090 4.320 0.005 0.000 0.217 283 A C 2.048 179.679 177.584 0.079 0.000 1.171 283 A CA 1.891 53.977 52.037 0.082 0.000 0.688 283 A CB -0.469 18.627 19.000 0.161 0.000 0.781 283 A HN 0.562 nan 8.150 nan 0.000 0.479 284 M N -2.811 116.848 119.600 0.099 0.000 2.304 284 M HA 0.349 4.832 4.480 0.005 0.000 0.281 284 M C 0.921 177.258 176.300 0.063 0.000 1.014 284 M CA 1.183 56.545 55.300 0.105 0.000 1.054 284 M CB 0.918 33.602 32.600 0.140 0.000 1.551 284 M HN 0.760 nan 8.290 nan 0.000 0.548 285 G N 1.324 110.154 108.800 0.050 0.000 2.141 285 G HA2 -0.138 3.824 3.960 0.005 0.000 0.195 285 G HA3 -0.138 3.824 3.960 0.005 0.000 0.195 285 G C -0.511 174.416 174.900 0.044 0.000 1.012 285 G CA 0.075 45.198 45.100 0.040 0.000 0.696 285 G HN 0.410 nan 8.290 nan 0.000 0.508 286 L N 0.072 121.322 121.223 0.046 0.000 2.334 286 L HA 0.497 4.840 4.340 0.005 0.000 0.276 286 L C 0.844 177.737 176.870 0.037 0.000 1.014 286 L CA -1.148 53.718 54.840 0.043 0.000 0.815 286 L CB 1.435 43.519 42.059 0.042 0.000 1.268 286 L HN 0.006 nan 8.230 nan 0.000 0.428 287 K N 1.819 122.241 120.400 0.036 0.000 2.441 287 K HA 0.019 4.342 4.320 0.005 0.000 0.273 287 K C -0.575 176.043 176.600 0.030 0.000 1.090 287 K CA -0.121 56.185 56.287 0.032 0.000 1.158 287 K CB 0.196 32.715 32.500 0.033 0.000 0.847 287 K HN 0.256 nan 8.250 nan 0.000 0.483 288 V N 4.340 124.272 119.914 0.029 0.000 2.493 288 V HA -0.026 4.097 4.120 0.005 0.000 0.292 288 V C 0.173 176.283 176.094 0.028 0.000 1.016 288 V CA 0.521 62.838 62.300 0.028 0.000 1.097 288 V CB 0.343 32.181 31.823 0.026 0.000 0.947 288 V HN 0.846 nan 8.190 nan 0.000 0.479 289 D N 3.419 123.838 120.400 0.031 0.000 2.426 289 D HA 0.093 4.736 4.640 0.005 0.000 0.188 289 D C -0.201 176.128 176.300 0.049 0.000 1.205 289 D CA -0.421 53.601 54.000 0.037 0.000 0.792 289 D CB 1.539 42.362 40.800 0.038 0.000 2.247 289 D HN 0.543 nan 8.370 nan 0.000 0.511 290 D N 2.428 122.861 120.400 0.056 0.000 2.379 290 D HA 0.049 4.692 4.640 0.005 0.000 0.208 290 D C 0.921 177.304 176.300 0.138 0.000 1.065 290 D CA 0.084 54.132 54.000 0.079 0.000 0.848 290 D CB 0.153 40.978 40.800 0.040 0.000 0.949 290 D HN 0.303 nan 8.370 nan 0.000 0.509 291 K N 0.038 120.512 120.400 0.122 0.000 2.525 291 K HA 0.144 4.467 4.320 0.005 0.000 0.192 291 K C -0.320 176.489 176.600 0.348 0.000 1.029 291 K CA 0.047 56.431 56.287 0.161 0.000 1.029 291 K CB 0.720 33.276 32.500 0.092 0.000 0.814 291 K HN 0.025 nan 8.250 nan 0.000 0.503 292 V N 2.171 122.260 119.914 0.291 0.000 2.709 292 V HA 0.293 4.416 4.120 0.005 0.000 0.308 292 V C -2.575 173.340 176.094 -0.297 0.000 1.062 292 V CA -2.516 59.853 62.300 0.115 0.000 0.901 292 V CB 2.277 34.133 31.823 0.055 0.000 1.003 292 V HN 0.006 nan 8.190 nan 0.000 0.425 293 P HA 0.182 nan 4.420 nan 0.000 0.281 293 P C -1.134 175.746 177.300 -0.701 0.000 1.252 293 P CA -0.362 61.802 63.100 -1.559 0.000 0.778 293 P CB 1.323 31.770 31.700 -2.090 0.000 0.895 294 L N 5.604 126.491 121.223 -0.559 0.000 2.265 294 L HA 0.456 4.799 4.340 0.005 0.000 0.289 294 L C -1.238 175.468 176.870 -0.274 0.000 1.033 294 L CA -0.935 53.756 54.840 -0.249 0.000 0.814 294 L CB -0.794 41.179 42.059 -0.144 0.000 1.203 294 L HN 0.145 nan 8.230 nan 0.000 0.423 295 F N 4.380 124.213 119.950 -0.196 0.000 2.410 295 F HA 0.695 5.225 4.527 0.005 0.000 0.349 295 F C 0.785 176.522 175.800 -0.104 0.000 1.117 295 F CA -0.245 57.665 58.000 -0.151 0.000 1.104 295 F CB 1.525 40.426 39.000 -0.164 0.000 1.122 295 F HN 0.685 nan 8.300 nan 0.000 0.483 296 A N 2.910 125.771 122.820 0.068 0.000 2.320 296 A HA 0.874 5.197 4.320 0.005 0.000 0.334 296 A C -1.219 176.363 177.584 -0.002 0.000 1.147 296 A CA -0.693 51.349 52.037 0.010 0.000 0.820 296 A CB 1.429 20.408 19.000 -0.036 0.000 1.218 296 A HN 0.525 nan 8.150 nan 0.000 0.482 297 V N 1.621 121.506 119.914 -0.049 0.000 2.525 297 V HA 0.457 4.580 4.120 0.005 0.000 0.299 297 V C -0.933 175.116 176.094 -0.076 0.000 1.034 297 V CA -0.362 61.894 62.300 -0.074 0.000 0.863 297 V CB 1.714 33.453 31.823 -0.140 0.000 0.999 297 V HN 0.652 nan 8.190 nan 0.000 0.423 298 V N 4.340 124.220 119.914 -0.057 0.000 2.340 298 V HA 0.799 4.922 4.120 0.005 0.000 0.277 298 V C -0.234 175.854 176.094 -0.010 0.000 1.017 298 V CA -0.049 62.231 62.300 -0.034 0.000 0.820 298 V CB 1.278 33.074 31.823 -0.045 0.000 1.028 298 V HN 0.958 nan 8.190 nan 0.000 0.436 299 S N 4.970 120.677 115.700 0.010 0.000 2.586 299 S HA 0.520 4.993 4.470 0.005 0.000 0.277 299 S C -1.078 173.546 174.600 0.040 0.000 1.131 299 S CA -0.995 57.217 58.200 0.019 0.000 0.848 299 S CB 1.715 64.901 63.200 -0.022 0.000 1.091 299 S HN 0.475 nan 8.310 nan 0.000 0.453 300 R N 1.473 122.001 120.500 0.047 0.000 2.538 300 R HA 0.188 4.531 4.340 0.005 0.000 0.282 300 R C -0.645 175.673 176.300 0.029 0.000 1.009 300 R CA -0.254 55.871 56.100 0.042 0.000 1.063 300 R CB -0.588 29.727 30.300 0.024 0.000 0.945 300 R HN 0.548 nan 8.270 nan 0.000 0.414 301 L N 3.610 124.860 121.223 0.045 0.000 2.385 301 L HA 0.171 4.514 4.340 0.005 0.000 0.285 301 L C 0.800 177.717 176.870 0.079 0.000 1.125 301 L CA 0.539 55.421 54.840 0.070 0.000 0.890 301 L CB 0.125 42.247 42.059 0.105 0.000 1.251 301 L HN 0.772 nan 8.230 nan 0.000 0.445 302 T N -2.263 112.331 114.554 0.066 0.000 2.787 302 T HA 0.313 4.665 4.350 0.005 0.000 0.297 302 T C 0.744 175.477 174.700 0.054 0.000 1.221 302 T CA -0.101 62.032 62.100 0.054 0.000 1.006 302 T CB 1.307 70.191 68.868 0.026 0.000 1.328 302 T HN 0.045 nan 8.240 nan 0.000 0.509 303 S N -0.447 115.285 115.700 0.054 0.000 2.345 303 S HA -0.119 4.353 4.470 0.005 0.000 0.220 303 S C 1.968 176.594 174.600 0.044 0.000 1.031 303 S CA 1.790 60.026 58.200 0.059 0.000 0.996 303 S CB -0.783 62.457 63.200 0.067 0.000 0.882 303 S HN 0.736 nan 8.310 nan 0.000 0.445 304 Q N 0.214 120.026 119.800 0.021 0.000 2.197 304 Q HA -0.187 4.156 4.340 0.005 0.000 0.211 304 Q C 1.873 177.758 176.000 -0.192 0.000 0.993 304 Q CA 1.291 57.019 55.803 -0.126 0.000 0.883 304 Q CB -0.190 28.357 28.738 -0.319 0.000 0.916 304 Q HN 0.295 nan 8.270 nan 0.000 0.418 305 K N -1.167 119.172 120.400 -0.101 0.000 2.305 305 K HA 0.039 4.362 4.320 0.005 0.000 0.199 305 K C 1.363 177.963 176.600 0.000 0.000 1.047 305 K CA 0.979 57.220 56.287 -0.076 0.000 0.976 305 K CB 0.435 32.907 32.500 -0.047 0.000 0.765 305 K HN 0.419 nan 8.250 nan 0.000 0.474 306 G N 0.861 109.686 108.800 0.042 0.000 2.163 306 G HA2 -0.222 3.741 3.960 0.005 0.000 0.213 306 G HA3 -0.222 3.741 3.960 0.005 0.000 0.213 306 G C 0.801 175.767 174.900 0.111 0.000 0.991 306 G CA 0.288 45.443 45.100 0.092 0.000 0.653 306 G HN 0.232 nan 8.290 nan 0.000 0.518 307 L N 1.050 122.349 121.223 0.127 0.000 2.201 307 L HA 0.035 4.378 4.340 0.005 0.000 0.212 307 L C 2.804 179.801 176.870 0.211 0.000 1.105 307 L CA 1.587 56.563 54.840 0.227 0.000 0.775 307 L CB -0.428 41.808 42.059 0.294 0.000 0.913 307 L HN 0.436 nan 8.230 nan 0.000 0.440 308 D N 0.694 121.161 120.400 0.112 0.000 2.158 308 D HA -0.253 4.390 4.640 0.005 0.000 0.197 308 D C 2.116 178.430 176.300 0.022 0.000 0.995 308 D CA 1.471 55.492 54.000 0.035 0.000 0.846 308 D CB -0.634 40.185 40.800 0.032 0.000 0.941 308 D HN 0.326 nan 8.370 nan 0.000 0.456 309 L N 0.103 121.358 121.223 0.054 0.000 2.093 309 L HA -0.094 4.249 4.340 0.005 0.000 0.208 309 L C 2.724 179.600 176.870 0.009 0.000 1.085 309 L CA 0.555 55.414 54.840 0.030 0.000 0.755 309 L CB -0.253 41.840 42.059 0.057 0.000 0.904 309 L HN -0.019 nan 8.230 nan 0.000 0.435 310 V N -0.179 119.778 119.914 0.070 0.000 2.358 310 V HA -0.282 3.841 4.120 0.005 0.000 0.246 310 V C 2.397 178.532 176.094 0.069 0.000 1.047 310 V CA 1.399 63.750 62.300 0.085 0.000 1.035 310 V CB -0.359 31.587 31.823 0.204 0.000 0.658 310 V HN 0.278 nan 8.190 nan 0.000 0.452 311 L N 0.416 121.654 121.223 0.026 0.000 2.012 311 L HA -0.193 4.150 4.340 0.005 0.000 0.210 311 L C 2.440 179.239 176.870 -0.119 0.000 1.073 311 L CA 1.980 56.705 54.840 -0.192 0.000 0.748 311 L CB -0.838 40.953 42.059 -0.446 0.000 0.891 311 L HN 0.406 nan 8.230 nan 0.000 0.431 312 E N -0.755 119.397 120.200 -0.080 0.000 2.085 312 E HA -0.239 4.114 4.350 0.005 0.000 0.194 312 E C 2.114 178.674 176.600 -0.066 0.000 0.994 312 E CA 1.252 57.616 56.400 -0.060 0.000 0.801 312 E CB -0.343 29.336 29.700 -0.034 0.000 0.743 312 E HN 0.627 nan 8.360 nan 0.000 0.453 313 A N 1.107 123.878 122.820 -0.082 0.000 2.015 313 A HA -0.131 4.192 4.320 0.005 0.000 0.219 313 A C 2.063 179.565 177.584 -0.136 0.000 1.163 313 A CA 0.592 52.559 52.037 -0.118 0.000 0.646 313 A CB -0.437 18.465 19.000 -0.163 0.000 0.806 313 A HN 0.160 nan 8.150 nan 0.000 0.448 314 L N 0.795 121.947 121.223 -0.119 0.000 1.997 314 L HA -0.204 4.139 4.340 0.005 0.000 0.227 314 L C -0.470 176.276 176.870 -0.207 0.000 1.087 314 L CA 3.188 57.939 54.840 -0.148 0.000 0.797 314 L CB -1.513 40.490 42.059 -0.093 0.000 0.902 314 L HN 0.224 nan 8.230 nan 0.000 0.441 315 P HA -0.184 nan 4.420 nan 0.000 0.215 315 P C 1.681 178.880 177.300 -0.169 0.000 1.163 315 P CA 2.320 65.316 63.100 -0.174 0.000 0.894 315 P CB -0.537 31.129 31.700 -0.057 0.000 0.791 316 G N 0.427 109.144 108.800 -0.138 0.000 2.476 316 G HA2 -0.276 3.687 3.960 0.005 0.000 0.218 316 G HA3 -0.276 3.687 3.960 0.005 0.000 0.218 316 G C 1.675 176.471 174.900 -0.174 0.000 1.164 316 G CA 0.854 45.868 45.100 -0.142 0.000 0.768 316 G HN 0.322 nan 8.290 nan 0.000 0.560 317 L N 0.007 121.114 121.223 -0.193 0.000 2.012 317 L HA -0.053 4.290 4.340 0.005 0.000 0.210 317 L C 2.849 179.633 176.870 -0.143 0.000 1.073 317 L CA 1.236 55.966 54.840 -0.184 0.000 0.748 317 L CB -0.187 41.653 42.059 -0.365 0.000 0.891 317 L HN 0.256 nan 8.230 nan 0.000 0.431 318 L N -0.297 120.796 121.223 -0.217 0.000 2.005 318 L HA -0.247 4.096 4.340 0.005 0.000 0.207 318 L C 2.541 179.303 176.870 -0.180 0.000 1.072 318 L CA 1.713 56.420 54.840 -0.222 0.000 0.744 318 L CB -0.878 40.928 42.059 -0.421 0.000 0.895 318 L HN 0.354 nan 8.230 nan 0.000 0.433 319 E N 0.858 120.949 120.200 -0.182 0.000 2.197 319 E HA -0.311 4.042 4.350 0.005 0.000 0.205 319 E C 1.560 178.038 176.600 -0.203 0.000 1.029 319 E CA 1.999 58.309 56.400 -0.150 0.000 0.828 319 E CB -0.007 29.615 29.700 -0.130 0.000 0.737 319 E HN 0.653 nan 8.360 nan 0.000 0.464 320 Q N -1.668 117.938 119.800 -0.323 0.000 2.201 320 Q HA 0.286 4.629 4.340 0.005 0.000 0.217 320 Q C 0.983 176.647 176.000 -0.561 0.000 0.860 320 Q CA 0.258 55.731 55.803 -0.550 0.000 0.984 320 Q CB 1.147 29.325 28.738 -0.933 0.000 1.095 320 Q HN 0.336 nan 8.270 nan 0.000 0.477 321 G N 0.110 108.781 108.800 -0.214 0.000 2.232 321 G HA2 -0.251 3.712 3.960 0.005 0.000 0.226 321 G HA3 -0.251 3.712 3.960 0.005 0.000 0.226 321 G C 0.492 175.457 174.900 0.108 0.000 0.996 321 G CA -0.454 44.620 45.100 -0.044 0.000 0.626 321 G HN 0.682 nan 8.290 nan 0.000 0.509 322 G N -0.167 108.802 108.800 0.282 0.000 2.653 322 G HA2 0.594 4.557 3.960 0.005 0.000 0.265 322 G HA3 0.594 4.557 3.960 0.005 0.000 0.265 322 G C 0.081 175.042 174.900 0.102 0.000 1.237 322 G CA 0.709 45.994 45.100 0.309 0.000 0.946 322 G HN 1.210 nan 8.290 nan 0.000 0.522 323 Q N -1.796 118.062 119.800 0.098 0.000 2.495 323 Q HA 0.694 5.037 4.340 0.005 0.000 0.287 323 Q C -1.871 174.175 176.000 0.078 0.000 1.078 323 Q CA -1.082 54.747 55.803 0.043 0.000 0.793 323 Q CB 2.352 31.106 28.738 0.026 0.000 1.459 323 Q HN 0.524 nan 8.270 nan 0.000 0.422 324 L N 0.682 121.926 121.223 0.034 0.000 2.381 324 L HA 0.865 5.208 4.340 0.005 0.000 0.274 324 L C -1.778 175.110 176.870 0.030 0.000 0.988 324 L CA -0.378 54.485 54.840 0.038 0.000 0.824 324 L CB 2.046 44.103 42.059 -0.004 0.000 1.263 324 L HN 0.869 nan 8.230 nan 0.000 0.410 325 A N 5.953 128.786 122.820 0.023 0.000 2.318 325 A HA 0.730 5.053 4.320 0.005 0.000 0.317 325 A C -1.444 176.128 177.584 -0.021 0.000 1.159 325 A CA -0.491 51.555 52.037 0.016 0.000 0.799 325 A CB 0.962 19.975 19.000 0.021 0.000 1.194 325 A HN 0.876 nan 8.150 nan 0.000 0.479 326 L N 3.241 124.442 121.223 -0.037 0.000 2.365 326 L HA 0.823 5.166 4.340 0.005 0.000 0.273 326 L C -1.652 175.195 176.870 -0.039 0.000 1.000 326 L CA -1.041 53.735 54.840 -0.107 0.000 0.819 326 L CB 1.826 43.715 42.059 -0.283 0.000 1.284 326 L HN 0.659 nan 8.230 nan 0.000 0.418 327 L N 5.546 126.752 121.223 -0.028 0.000 2.485 327 L HA 0.936 5.279 4.340 0.005 0.000 0.260 327 L C -0.581 176.312 176.870 0.039 0.000 0.998 327 L CA 0.342 55.209 54.840 0.046 0.000 0.883 327 L CB 0.983 43.104 42.059 0.104 0.000 1.196 327 L HN 0.704 nan 8.230 nan 0.000 0.443 328 G N 2.376 111.201 108.800 0.042 0.000 2.489 328 G HA2 0.872 4.835 3.960 0.005 0.000 0.305 328 G HA3 0.872 4.835 3.960 0.005 0.000 0.305 328 G C -2.051 172.900 174.900 0.084 0.000 1.311 328 G CA -0.074 45.072 45.100 0.077 0.000 0.813 328 G HN 0.981 nan 8.290 nan 0.000 0.480 329 A N -2.140 120.736 122.820 0.093 0.000 2.593 329 A HA 1.142 5.465 4.320 0.005 0.000 0.290 329 A C 0.261 177.885 177.584 0.065 0.000 1.126 329 A CA 0.357 52.443 52.037 0.082 0.000 0.695 329 A CB 1.360 20.415 19.000 0.090 0.000 1.290 329 A HN 2.708 nan 8.150 nan 0.000 0.414 330 G N -0.308 108.529 108.800 0.060 0.000 2.384 330 G HA2 0.340 4.303 3.960 0.005 0.000 0.150 330 G HA3 0.340 4.303 3.960 0.005 0.000 0.150 330 G C -1.093 173.841 174.900 0.057 0.000 1.269 330 G CA 0.098 45.229 45.100 0.052 0.000 1.094 330 G HN 1.195 nan 8.290 nan 0.000 0.467 331 D N 2.416 122.852 120.400 0.060 0.000 2.536 331 D HA 0.195 4.838 4.640 0.005 0.000 0.260 331 D C -0.469 175.869 176.300 0.063 0.000 1.270 331 D CA -0.726 53.308 54.000 0.058 0.000 0.934 331 D CB 0.947 41.782 40.800 0.059 0.000 1.129 331 D HN -0.022 nan 8.370 nan 0.000 0.533 332 P HA -0.303 nan 4.420 nan 0.000 0.218 332 P C 1.676 179.004 177.300 0.046 0.000 1.132 332 P CA 1.557 64.684 63.100 0.045 0.000 0.968 332 P CB -0.006 31.713 31.700 0.031 0.000 0.783 333 V N -1.034 118.899 119.914 0.033 0.000 2.277 333 V HA -0.298 3.825 4.120 0.005 0.000 0.255 333 V C 2.548 178.651 176.094 0.015 0.000 1.074 333 V CA 2.105 64.416 62.300 0.018 0.000 1.058 333 V CB -1.575 30.255 31.823 0.011 0.000 0.656 333 V HN 0.098 nan 8.190 nan 0.000 0.449 334 L N -0.861 120.393 121.223 0.052 0.000 2.023 334 L HA -0.191 4.151 4.340 0.005 0.000 0.205 334 L C 2.805 179.785 176.870 0.183 0.000 1.073 334 L CA 1.757 56.652 54.840 0.093 0.000 0.745 334 L CB -0.783 41.395 42.059 0.198 0.000 0.900 334 L HN 0.348 nan 8.230 nan 0.000 0.435 335 Q N -0.044 119.868 119.800 0.187 0.000 2.082 335 Q HA -0.295 4.048 4.340 0.005 0.000 0.211 335 Q C 2.089 178.174 176.000 0.141 0.000 1.002 335 Q CA 1.945 57.858 55.803 0.184 0.000 0.868 335 Q CB -0.207 28.600 28.738 0.115 0.000 0.931 335 Q HN 0.369 nan 8.270 nan 0.000 0.414 336 E N 0.100 120.345 120.200 0.074 0.000 2.013 336 E HA -0.177 4.176 4.350 0.005 0.000 0.202 336 E C 2.050 178.661 176.600 0.018 0.000 1.018 336 E CA 1.521 57.945 56.400 0.039 0.000 0.834 336 E CB -1.017 28.691 29.700 0.014 0.000 0.770 336 E HN 0.483 nan 8.360 nan 0.000 0.459 337 G N -0.410 108.358 108.800 -0.052 0.000 2.597 337 G HA2 -0.303 3.660 3.960 0.005 0.000 0.222 337 G HA3 -0.303 3.660 3.960 0.005 0.000 0.222 337 G C 1.445 176.240 174.900 -0.176 0.000 1.135 337 G CA 1.302 46.305 45.100 -0.162 0.000 0.759 337 G HN 0.188 nan 8.290 nan 0.000 0.595 338 F N 0.364 120.334 119.950 0.032 0.000 2.234 338 F HA 0.204 4.734 4.527 0.005 0.000 0.296 338 F C 2.669 178.495 175.800 0.044 0.000 1.089 338 F CA 0.406 58.429 58.000 0.038 0.000 1.343 338 F CB -0.435 38.586 39.000 0.034 0.000 1.040 338 F HN 0.028 nan 8.300 nan 0.000 0.498 339 L N -0.302 121.044 121.223 0.203 0.000 1.970 339 L HA -0.247 4.096 4.340 0.005 0.000 0.212 339 L C 2.786 179.708 176.870 0.087 0.000 1.071 339 L CA 1.346 56.260 54.840 0.124 0.000 0.751 339 L CB -1.275 40.836 42.059 0.088 0.000 0.889 339 L HN 0.131 nan 8.230 nan 0.000 0.432 340 A N 0.076 122.928 122.820 0.054 0.000 1.971 340 A HA -0.316 4.007 4.320 0.005 0.000 0.222 340 A C 2.447 180.057 177.584 0.044 0.000 1.182 340 A CA 2.362 54.413 52.037 0.023 0.000 0.649 340 A CB -0.791 18.206 19.000 -0.006 0.000 0.818 340 A HN 0.497 nan 8.150 nan 0.000 0.458 341 A N -0.863 122.018 122.820 0.102 0.000 1.930 341 A HA 0.345 4.668 4.320 0.005 0.000 0.215 341 A C 2.474 180.201 177.584 0.238 0.000 1.176 341 A CA 1.617 53.779 52.037 0.208 0.000 0.632 341 A CB -0.873 18.260 19.000 0.222 0.000 0.819 341 A HN 1.062 nan 8.150 nan 0.000 0.445 342 A N 0.214 123.138 122.820 0.173 0.000 1.877 342 A HA 0.154 4.477 4.320 0.005 0.000 0.216 342 A C 2.497 180.135 177.584 0.089 0.000 1.186 342 A CA 2.050 54.172 52.037 0.141 0.000 0.620 342 A CB -1.070 17.997 19.000 0.113 0.000 0.822 342 A HN 1.043 nan 8.150 nan 0.000 0.443 343 A N -0.583 122.267 122.820 0.050 0.000 1.940 343 A HA -0.207 4.116 4.320 0.005 0.000 0.219 343 A C 2.019 179.570 177.584 -0.056 0.000 1.176 343 A CA 1.928 53.966 52.037 0.001 0.000 0.631 343 A CB -0.458 18.538 19.000 -0.007 0.000 0.814 343 A HN 0.684 nan 8.150 nan 0.000 0.446 344 E N -2.115 118.021 120.200 -0.106 0.000 2.230 344 E HA -0.055 4.298 4.350 0.005 0.000 0.192 344 E C -0.364 175.905 176.600 -0.551 0.000 0.987 344 E CA 0.433 56.616 56.400 -0.361 0.000 0.841 344 E CB 0.076 29.481 29.700 -0.492 0.000 0.783 344 E HN 0.728 nan 8.360 nan 0.000 0.481 345 Y N 0.896 121.203 120.300 0.012 0.000 2.480 345 Y HA 0.317 4.870 4.550 0.005 0.000 0.356 345 Y C -2.347 173.563 175.900 0.018 0.000 0.922 345 Y CA -2.505 55.602 58.100 0.012 0.000 1.146 345 Y CB 0.797 39.265 38.460 0.012 0.000 1.185 345 Y HN 0.023 nan 8.280 nan 0.000 0.624 346 P HA 0.146 nan 4.420 nan 0.000 0.268 346 P C 1.044 178.392 177.300 0.081 0.000 1.205 346 P CA 1.405 64.551 63.100 0.077 0.000 0.771 346 P CB 1.713 33.435 31.700 0.038 0.000 0.858 347 G N 3.276 112.119 108.800 0.072 0.000 2.308 347 G HA2 -0.267 3.696 3.960 0.005 0.000 0.221 347 G HA3 -0.267 3.696 3.960 0.005 0.000 0.221 347 G C 0.732 175.671 174.900 0.065 0.000 1.032 347 G CA 0.490 45.627 45.100 0.062 0.000 0.623 347 G HN 0.625 nan 8.290 nan 0.000 0.506 348 Q N -0.501 119.350 119.800 0.084 0.000 2.245 348 Q HA 0.608 4.951 4.340 0.005 0.000 0.236 348 Q C 0.163 176.195 176.000 0.054 0.000 0.842 348 Q CA 0.350 56.189 55.803 0.060 0.000 0.945 348 Q CB 1.291 30.055 28.738 0.042 0.000 1.122 348 Q HN 0.495 nan 8.270 nan 0.000 0.506 349 V N 1.469 121.439 119.914 0.094 0.000 2.378 349 V HA 0.711 4.834 4.120 0.005 0.000 0.288 349 V C -0.159 175.994 176.094 0.097 0.000 1.016 349 V CA -0.542 61.815 62.300 0.095 0.000 0.840 349 V CB 1.446 33.355 31.823 0.144 0.000 0.994 349 V HN 0.300 nan 8.190 nan 0.000 0.431 350 G N 3.451 112.297 108.800 0.076 0.000 2.544 350 G HA2 0.627 4.590 3.960 0.005 0.000 0.313 350 G HA3 0.627 4.590 3.960 0.005 0.000 0.313 350 G C -1.388 173.550 174.900 0.065 0.000 1.316 350 G CA -0.464 44.679 45.100 0.072 0.000 0.944 350 G HN 0.504 nan 8.290 nan 0.000 0.489 351 V N 3.419 123.373 119.914 0.067 0.000 2.443 351 V HA 0.371 4.494 4.120 0.005 0.000 0.293 351 V C -0.832 175.292 176.094 0.051 0.000 1.021 351 V CA -0.861 61.471 62.300 0.054 0.000 0.848 351 V CB 1.655 33.530 31.823 0.087 0.000 0.998 351 V HN 0.680 nan 8.190 nan 0.000 0.424 352 Q N 4.683 124.515 119.800 0.053 0.000 2.290 352 Q HA 0.506 4.849 4.340 0.005 0.000 0.259 352 Q C -0.743 175.290 176.000 0.055 0.000 0.941 352 Q CA -0.606 55.226 55.803 0.048 0.000 0.912 352 Q CB 2.405 31.179 28.738 0.060 0.000 1.244 352 Q HN 0.473 nan 8.270 nan 0.000 0.441 353 I N 1.963 122.566 120.570 0.055 0.000 2.315 353 I HA 0.649 4.822 4.170 0.005 0.000 0.291 353 I C 0.944 177.111 176.117 0.083 0.000 1.006 353 I CA 0.237 61.578 61.300 0.068 0.000 1.265 353 I CB 0.323 38.364 38.000 0.068 0.000 1.387 353 I HN 0.763 nan 8.210 nan 0.000 0.475 354 G N 6.023 114.891 108.800 0.113 0.000 2.334 354 G HA2 0.105 4.068 3.960 0.005 0.000 0.249 354 G HA3 0.105 4.068 3.960 0.005 0.000 0.249 354 G C -2.178 172.871 174.900 0.249 0.000 1.327 354 G CA -0.624 44.570 45.100 0.157 0.000 0.979 354 G HN 0.437 nan 8.290 nan 0.000 0.471 355 Y N 0.555 120.923 120.300 0.115 0.000 2.562 355 Y HA 0.785 5.338 4.550 0.005 0.000 0.345 355 Y C -1.044 174.985 175.900 0.214 0.000 1.045 355 Y CA -0.748 57.430 58.100 0.130 0.000 1.028 355 Y CB 2.355 40.861 38.460 0.077 0.000 1.297 355 Y HN 0.965 nan 8.280 nan 0.000 0.463 356 H N 5.489 124.259 119.070 -0.500 0.000 3.800 356 H HA 0.156 4.715 4.556 0.005 0.000 0.501 356 H C -0.270 174.911 175.328 -0.245 0.000 1.751 356 H CA -0.076 55.817 56.048 -0.259 0.000 1.651 356 H CB 0.677 30.442 29.762 0.005 0.000 2.581 356 H HN 1.023 nan 8.280 nan 0.000 0.618 357 E N 1.985 122.011 120.200 -0.291 0.000 2.118 357 E HA -0.152 4.201 4.350 0.005 0.000 0.195 357 E C 1.855 178.546 176.600 0.152 0.000 0.992 357 E CA 1.284 57.642 56.400 -0.070 0.000 0.804 357 E CB 0.269 29.933 29.700 -0.060 0.000 0.741 357 E HN 0.567 nan 8.360 nan 0.000 0.458 358 A N 1.315 124.248 122.820 0.187 0.000 1.902 358 A HA -0.172 4.151 4.320 0.005 0.000 0.217 358 A C 1.972 179.733 177.584 0.295 0.000 1.181 358 A CA 1.138 53.288 52.037 0.189 0.000 0.623 358 A CB -0.660 18.489 19.000 0.249 0.000 0.818 358 A HN 0.268 nan 8.150 nan 0.000 0.443 359 F N 1.792 121.885 119.950 0.238 0.000 2.259 359 F HA -0.100 4.430 4.527 0.005 0.000 0.298 359 F C 2.718 178.547 175.800 0.047 0.000 1.088 359 F CA 1.357 59.342 58.000 -0.025 0.000 1.358 359 F CB -0.402 38.390 39.000 -0.346 0.000 1.040 359 F HN 0.327 nan 8.300 nan 0.000 0.505 360 S N -1.027 114.690 115.700 0.027 0.000 2.400 360 S HA -0.277 4.196 4.470 0.005 0.000 0.232 360 S C 1.849 176.412 174.600 -0.062 0.000 1.025 360 S CA 1.673 59.830 58.200 -0.070 0.000 0.993 360 S CB -1.046 62.170 63.200 0.027 0.000 0.808 360 S HN 0.548 nan 8.310 nan 0.000 0.478 361 H N 1.401 120.418 119.070 -0.088 0.000 2.353 361 H HA 0.184 4.743 4.556 0.005 0.000 0.300 361 H C 2.511 177.795 175.328 -0.074 0.000 1.090 361 H CA 1.803 57.797 56.048 -0.090 0.000 1.327 361 H CB -0.134 29.508 29.762 -0.201 0.000 1.383 361 H HN 0.381 nan 8.280 nan 0.000 0.508 362 R N -0.156 120.328 120.500 -0.027 0.000 2.115 362 R HA -0.061 4.282 4.340 0.005 0.000 0.230 362 R C 2.111 178.292 176.300 -0.198 0.000 1.111 362 R CA 1.314 57.360 56.100 -0.090 0.000 0.976 362 R CB -0.144 30.092 30.300 -0.107 0.000 0.870 362 R HN 0.329 nan 8.270 nan 0.000 0.445 363 I N 0.060 120.397 120.570 -0.389 0.000 2.163 363 I HA -0.264 3.909 4.170 0.005 0.000 0.240 363 I C 2.375 178.415 176.117 -0.128 0.000 1.081 363 I CA 0.921 62.040 61.300 -0.302 0.000 1.353 363 I CB -0.161 37.624 38.000 -0.358 0.000 1.054 363 I HN 0.135 nan 8.210 nan 0.000 0.407 364 M N 1.117 120.640 119.600 -0.129 0.000 2.267 364 M HA -0.114 4.369 4.480 0.005 0.000 0.263 364 M C 1.775 178.106 176.300 0.053 0.000 1.063 364 M CA 1.672 56.889 55.300 -0.139 0.000 1.090 364 M CB -0.821 31.563 32.600 -0.359 0.000 1.392 364 M HN 0.196 nan 8.290 nan 0.000 0.422 365 G N -2.249 106.657 108.800 0.176 0.000 2.887 365 G HA2 0.249 4.212 3.960 0.005 0.000 0.211 365 G HA3 0.249 4.212 3.960 0.005 0.000 0.211 365 G C 1.309 176.367 174.900 0.263 0.000 1.152 365 G CA 0.351 45.713 45.100 0.437 0.000 0.769 365 G HN 0.593 nan 8.290 nan 0.000 0.541 366 G N 0.677 109.546 108.800 0.116 0.000 2.559 366 G HA2 0.411 4.374 3.960 0.005 0.000 0.209 366 G HA3 0.411 4.374 3.960 0.005 0.000 0.209 366 G C 1.027 175.949 174.900 0.036 0.000 1.151 366 G CA 0.798 45.933 45.100 0.060 0.000 0.824 366 G HN 0.599 nan 8.290 nan 0.000 0.543 367 A N 0.630 123.458 122.820 0.014 0.000 2.475 367 A HA 0.349 4.672 4.320 0.005 0.000 0.239 367 A C 0.945 178.537 177.584 0.014 0.000 1.087 367 A CA 0.587 52.614 52.037 -0.017 0.000 0.779 367 A CB 0.301 19.280 19.000 -0.035 0.000 1.036 367 A HN 0.241 nan 8.150 nan 0.000 0.506 368 D N -0.689 119.673 120.400 -0.064 0.000 2.323 368 D HA 0.158 4.801 4.640 0.005 0.000 0.218 368 D C 0.024 176.392 176.300 0.115 0.000 0.973 368 D CA 1.051 55.079 54.000 0.048 0.000 0.890 368 D CB 0.345 40.991 40.800 -0.255 0.000 1.011 368 D HN 0.218 nan 8.370 nan 0.000 0.499 369 V N 1.333 121.155 119.914 -0.152 0.000 2.823 369 V HA 0.362 4.485 4.120 0.005 0.000 0.312 369 V C -0.901 175.159 176.094 -0.056 0.000 1.072 369 V CA -0.918 61.306 62.300 -0.128 0.000 0.937 369 V CB 2.932 34.454 31.823 -0.501 0.000 1.013 369 V HN -0.092 nan 8.190 nan 0.000 0.430 370 I N 4.446 125.025 120.570 0.015 0.000 2.382 370 I HA 0.466 4.639 4.170 0.005 0.000 0.286 370 I C -0.624 175.523 176.117 0.050 0.000 1.002 370 I CA -0.207 61.101 61.300 0.014 0.000 1.135 370 I CB 1.212 39.196 38.000 -0.027 0.000 1.288 370 I HN 0.492 nan 8.210 nan 0.000 0.448 371 L N 8.033 129.295 121.223 0.066 0.000 2.283 371 L HA 0.400 4.743 4.340 0.005 0.000 0.287 371 L C -0.744 176.155 176.870 0.047 0.000 1.073 371 L CA -0.582 54.311 54.840 0.088 0.000 0.822 371 L CB 0.750 42.859 42.059 0.082 0.000 1.186 371 L HN 0.344 nan 8.230 nan 0.000 0.436 372 V N 4.852 124.801 119.914 0.059 0.000 2.320 372 V HA 0.243 4.366 4.120 0.005 0.000 0.268 372 V C -1.998 174.142 176.094 0.076 0.000 1.021 372 V CA -0.940 61.373 62.300 0.022 0.000 0.813 372 V CB 1.042 32.834 31.823 -0.052 0.000 1.054 372 V HN 0.598 nan 8.190 nan 0.000 0.444 373 P HA 0.236 nan 4.420 nan 0.000 0.218 373 P C 0.227 177.618 177.300 0.152 0.000 1.826 373 P CA -0.136 63.136 63.100 0.287 0.000 0.946 373 P CB 0.298 32.179 31.700 0.302 0.000 1.728 374 S N 0.718 116.427 115.700 0.015 0.000 2.560 374 S HA 0.142 4.614 4.470 0.005 0.000 0.284 374 S C 1.606 176.208 174.600 0.004 0.000 1.327 374 S CA -0.239 57.935 58.200 -0.044 0.000 1.055 374 S CB 0.892 64.015 63.200 -0.128 0.000 0.868 374 S HN 0.245 nan 8.310 nan 0.000 0.506 375 R N 0.731 121.249 120.500 0.030 0.000 2.148 375 R HA 0.080 4.423 4.340 0.005 0.000 0.223 375 R C -0.004 176.475 176.300 0.298 0.000 1.088 375 R CA 0.901 57.091 56.100 0.150 0.000 0.985 375 R CB -0.101 30.313 30.300 0.191 0.000 0.880 375 R HN 0.739 nan 8.270 nan 0.000 0.451 376 F N -2.360 117.579 119.950 -0.018 0.000 2.703 376 F HA 0.445 4.975 4.527 0.005 0.000 0.308 376 F C -1.480 174.301 175.800 -0.031 0.000 1.126 376 F CA -1.583 56.437 58.000 0.033 0.000 0.959 376 F CB 1.480 40.502 39.000 0.037 0.000 1.297 376 F HN -0.375 nan 8.300 nan 0.000 0.441 377 E N 3.229 123.380 120.200 -0.081 0.000 2.267 377 E HA 0.533 4.886 4.350 0.005 0.000 0.248 377 E C -2.548 173.802 176.600 -0.418 0.000 0.899 377 E CA -2.343 53.891 56.400 -0.276 0.000 0.764 377 E CB 1.826 31.408 29.700 -0.196 0.000 1.227 377 E HN 0.350 nan 8.360 nan 0.000 0.421 378 P HA 0.032 nan 4.420 nan 0.000 0.218 378 P C 0.323 177.421 177.300 -0.337 0.000 1.152 378 P CA 0.358 63.073 63.100 -0.642 0.000 0.826 378 P CB 0.365 31.878 31.700 -0.311 0.000 0.790 379 C N 0.976 120.142 119.300 -0.222 0.000 3.094 379 C HA 0.643 5.106 4.460 0.005 0.000 0.262 379 C C 1.101 175.984 174.990 -0.178 0.000 1.459 379 C CA -0.720 58.219 59.018 -0.131 0.000 1.570 379 C CB -1.891 25.813 27.740 -0.060 0.000 2.056 379 C HN 0.226 nan 8.230 nan 0.000 0.499 380 G N 2.677 111.351 108.800 -0.209 0.000 2.576 380 G HA2 0.228 4.191 3.960 0.005 0.000 0.291 380 G HA3 0.228 4.191 3.960 0.005 0.000 0.291 380 G C 0.513 175.210 174.900 -0.339 0.000 0.782 380 G CA 0.223 45.167 45.100 -0.259 0.000 1.886 380 G HN 0.791 nan 8.290 nan 0.000 0.493 381 L N 1.274 122.261 121.223 -0.393 0.000 2.586 381 L HA 0.034 4.377 4.340 0.005 0.000 0.204 381 L C 2.900 179.184 176.870 -0.977 0.000 1.053 381 L CA 0.360 54.817 54.840 -0.637 0.000 0.856 381 L CB -0.424 41.342 42.059 -0.488 0.000 1.192 381 L HN 0.422 nan 8.230 nan 0.000 0.484 382 T N 0.723 114.899 114.554 -0.630 0.000 2.620 382 T HA -0.292 4.061 4.350 0.005 0.000 0.267 382 T C 1.782 176.182 174.700 -0.500 0.000 1.044 382 T CA 2.264 64.072 62.100 -0.487 0.000 1.161 382 T CB -0.273 68.460 68.868 -0.224 0.000 0.862 382 T HN 0.409 nan 8.240 nan 0.000 0.438 383 Q N 1.370 120.924 119.800 -0.411 0.000 2.291 383 Q HA -0.059 4.284 4.340 0.005 0.000 0.206 383 Q C 2.230 178.001 176.000 -0.383 0.000 0.976 383 Q CA 1.323 56.932 55.803 -0.324 0.000 0.875 383 Q CB -0.801 27.774 28.738 -0.272 0.000 0.927 383 Q HN 0.529 nan 8.270 nan 0.000 0.450 384 L N -0.369 120.515 121.223 -0.565 0.000 2.056 384 L HA -0.134 4.209 4.340 0.005 0.000 0.207 384 L C 2.429 179.104 176.870 -0.325 0.000 1.078 384 L CA 1.159 55.699 54.840 -0.500 0.000 0.749 384 L CB -0.849 40.847 42.059 -0.605 0.000 0.901 384 L HN 0.034 nan 8.230 nan 0.000 0.433 385 Y N 0.871 120.923 120.300 -0.413 0.000 2.097 385 Y HA -0.166 4.387 4.550 0.005 0.000 0.282 385 Y C 2.711 178.462 175.900 -0.247 0.000 1.152 385 Y CA 0.880 58.686 58.100 -0.490 0.000 1.136 385 Y CB -1.698 36.151 38.460 -1.018 0.000 0.975 385 Y HN 0.098 nan 8.280 nan 0.000 0.498 386 G N 0.376 109.118 108.800 -0.097 0.000 2.574 386 G HA2 -0.284 3.679 3.960 0.005 0.000 0.220 386 G HA3 -0.284 3.679 3.960 0.005 0.000 0.220 386 G C 1.830 176.762 174.900 0.053 0.000 1.173 386 G CA 1.492 46.577 45.100 -0.024 0.000 0.772 386 G HN 0.379 nan 8.290 nan 0.000 0.585 387 L N -0.152 121.068 121.223 -0.005 0.000 2.012 387 L HA -0.094 4.249 4.340 0.005 0.000 0.210 387 L C 2.847 179.775 176.870 0.097 0.000 1.073 387 L CA 1.724 56.574 54.840 0.017 0.000 0.748 387 L CB -0.363 41.695 42.059 -0.001 0.000 0.891 387 L HN 0.209 nan 8.230 nan 0.000 0.431 388 K N -0.067 120.425 120.400 0.154 0.000 2.103 388 K HA -0.198 4.125 4.320 0.005 0.000 0.207 388 K C 1.689 178.454 176.600 0.273 0.000 1.048 388 K CA 1.670 58.090 56.287 0.221 0.000 0.930 388 K CB -0.377 32.305 32.500 0.302 0.000 0.716 388 K HN 0.313 nan 8.250 nan 0.000 0.444 389 Y N -0.755 119.601 120.300 0.092 0.000 2.490 389 Y HA 0.147 4.699 4.550 0.005 0.000 0.281 389 Y C 1.140 177.191 175.900 0.252 0.000 1.174 389 Y CA -0.027 58.167 58.100 0.158 0.000 1.295 389 Y CB 0.552 39.121 38.460 0.182 0.000 1.062 389 Y HN 0.291 nan 8.280 nan 0.000 0.522 390 G N 1.535 110.498 108.800 0.271 0.000 2.198 390 G HA2 -0.312 3.651 3.960 0.005 0.000 0.260 390 G HA3 -0.312 3.651 3.960 0.005 0.000 0.260 390 G C 0.152 175.171 174.900 0.198 0.000 1.025 390 G CA 0.655 45.872 45.100 0.195 0.000 0.769 390 G HN 0.395 nan 8.290 nan 0.000 0.507 391 T N -0.216 114.451 114.554 0.188 0.000 2.842 391 T HA 0.625 4.978 4.350 0.005 0.000 0.308 391 T C 0.508 175.252 174.700 0.074 0.000 1.041 391 T CA -0.915 61.282 62.100 0.161 0.000 0.964 391 T CB 0.552 69.517 68.868 0.161 0.000 0.972 391 T HN 0.602 nan 8.240 nan 0.000 0.460 392 L N 6.635 127.887 121.223 0.049 0.000 2.455 392 L HA 0.356 4.699 4.340 0.005 0.000 0.272 392 L C -1.928 174.965 176.870 0.039 0.000 1.174 392 L CA -1.925 52.885 54.840 -0.049 0.000 0.869 392 L CB 0.020 41.955 42.059 -0.207 0.000 1.130 392 L HN 0.460 nan 8.230 nan 0.000 0.474 393 P HA 0.211 nan 4.420 nan 0.000 0.285 393 P C -0.934 176.456 177.300 0.150 0.000 1.259 393 P CA -0.389 62.728 63.100 0.030 0.000 0.794 393 P CB 1.547 33.212 31.700 -0.058 0.000 0.940 394 L N 4.885 126.227 121.223 0.199 0.000 2.298 394 L HA 0.564 4.907 4.340 0.005 0.000 0.284 394 L C -0.450 176.553 176.870 0.222 0.000 1.013 394 L CA -0.747 54.266 54.840 0.288 0.000 0.824 394 L CB 1.147 43.370 42.059 0.274 0.000 1.221 394 L HN 0.246 nan 8.230 nan 0.000 0.418 395 V N 1.812 121.843 119.914 0.194 0.000 3.078 395 V HA 0.613 4.736 4.120 0.005 0.000 0.311 395 V C -0.427 175.579 176.094 -0.146 0.000 1.138 395 V CA -1.082 61.259 62.300 0.068 0.000 1.007 395 V CB 1.841 33.637 31.823 -0.044 0.000 1.045 395 V HN 0.864 nan 8.190 nan 0.000 0.432 396 R N 1.091 121.339 120.500 -0.421 0.000 2.679 396 R HA 0.391 4.734 4.340 0.005 0.000 0.269 396 R C 0.440 176.491 176.300 -0.415 0.000 1.076 396 R CA -0.538 55.013 56.100 -0.914 0.000 1.160 396 R CB 0.600 30.445 30.300 -0.759 0.000 1.054 396 R HN 0.887 nan 8.270 nan 0.000 0.507 397 R N 2.340 122.628 120.500 -0.355 0.000 3.268 397 R HA 0.073 4.416 4.340 0.005 0.000 0.217 397 R C -1.215 175.029 176.300 -0.093 0.000 1.568 397 R CA 0.251 56.252 56.100 -0.164 0.000 1.322 397 R CB -0.346 29.889 30.300 -0.108 0.000 1.280 397 R HN 0.707 nan 8.270 nan 0.000 0.667 398 T N -0.964 113.546 114.554 -0.073 0.000 2.821 398 T HA 0.588 4.941 4.350 0.005 0.000 0.306 398 T C 0.654 175.358 174.700 0.005 0.000 1.313 398 T CA -0.471 61.636 62.100 0.011 0.000 1.012 398 T CB 1.430 70.355 68.868 0.094 0.000 1.298 398 T HN 0.435 nan 8.240 nan 0.000 0.502 399 G N 0.941 109.783 108.800 0.070 0.000 2.582 399 G HA2 -0.141 3.822 3.960 0.005 0.000 0.369 399 G HA3 -0.141 3.822 3.960 0.005 0.000 0.369 399 G C 1.360 176.247 174.900 -0.021 0.000 1.370 399 G CA 0.954 46.091 45.100 0.061 0.000 0.955 399 G HN 1.862 nan 8.290 nan 0.000 0.525 400 G N -0.538 108.221 108.800 -0.067 0.000 2.503 400 G HA2 -0.126 3.837 3.960 0.005 0.000 0.221 400 G HA3 -0.126 3.837 3.960 0.005 0.000 0.221 400 G C 1.929 176.731 174.900 -0.162 0.000 1.131 400 G CA 1.710 46.737 45.100 -0.121 0.000 0.756 400 G HN 0.787 nan 8.290 nan 0.000 0.572 401 L N 0.743 121.870 121.223 -0.160 0.000 1.989 401 L HA -0.114 4.229 4.340 0.005 0.000 0.211 401 L C 3.396 180.186 176.870 -0.134 0.000 1.071 401 L CA 1.273 56.012 54.840 -0.169 0.000 0.749 401 L CB -0.735 41.233 42.059 -0.151 0.000 0.890 401 L HN 0.270 nan 8.230 nan 0.000 0.431 402 A N -0.147 122.615 122.820 -0.098 0.000 2.032 402 A HA -0.233 4.090 4.320 0.005 0.000 0.221 402 A C 1.839 179.387 177.584 -0.061 0.000 1.165 402 A CA 2.108 54.102 52.037 -0.072 0.000 0.645 402 A CB -0.516 18.454 19.000 -0.049 0.000 0.807 402 A HN 0.484 nan 8.150 nan 0.000 0.453 403 D N -1.338 119.020 120.400 -0.070 0.000 2.348 403 D HA -0.023 4.620 4.640 0.005 0.000 0.211 403 D C 1.640 177.909 176.300 -0.052 0.000 0.998 403 D CA 1.563 55.535 54.000 -0.046 0.000 0.873 403 D CB 0.054 40.832 40.800 -0.036 0.000 0.925 403 D HN 0.675 nan 8.370 nan 0.000 0.524 404 T N -2.748 111.719 114.554 -0.144 0.000 2.955 404 T HA 0.212 4.565 4.350 0.005 0.000 0.251 404 T C 0.686 175.287 174.700 -0.164 0.000 1.002 404 T CA -0.165 61.776 62.100 -0.266 0.000 0.970 404 T CB 0.585 69.082 68.868 -0.618 0.000 1.091 404 T HN -0.201 nan 8.240 nan 0.000 0.495 405 V N 1.914 121.750 119.914 -0.130 0.000 2.513 405 V HA 0.629 4.751 4.120 0.005 0.000 0.299 405 V C -0.317 175.730 176.094 -0.078 0.000 1.035 405 V CA -0.787 61.449 62.300 -0.106 0.000 0.889 405 V CB 1.781 33.532 31.823 -0.120 0.000 0.988 405 V HN 0.299 nan 8.190 nan 0.000 0.440 406 S N 2.555 118.202 115.700 -0.088 0.000 2.429 406 S HA 0.302 4.775 4.470 0.005 0.000 0.302 406 S C -0.353 174.172 174.600 -0.125 0.000 1.115 406 S CA -0.417 57.733 58.200 -0.084 0.000 1.095 406 S CB 0.947 64.103 63.200 -0.073 0.000 0.987 406 S HN 0.921 nan 8.310 nan 0.000 0.474 407 D N 1.809 122.162 120.400 -0.079 0.000 2.400 407 D HA 0.051 4.694 4.640 0.005 0.000 0.238 407 D C -0.073 176.167 176.300 -0.099 0.000 1.157 407 D CA 0.384 54.340 54.000 -0.073 0.000 0.889 407 D CB 0.666 41.475 40.800 0.015 0.000 1.199 407 D HN 0.323 nan 8.370 nan 0.000 0.436 408 S N 1.303 116.929 115.700 -0.122 0.000 4.069 408 S HA 0.155 4.628 4.470 0.005 0.000 0.192 408 S C 0.033 174.653 174.600 0.032 0.000 1.441 408 S CA -0.574 57.576 58.200 -0.083 0.000 0.994 408 S CB -0.828 62.298 63.200 -0.123 0.000 1.456 408 S HN 0.483 nan 8.310 nan 0.000 0.458 409 S N 0.947 116.661 115.700 0.025 0.000 2.632 409 S HA 0.396 4.869 4.470 0.005 0.000 0.267 409 S C 1.324 175.946 174.600 0.036 0.000 1.276 409 S CA -0.881 57.344 58.200 0.042 0.000 0.998 409 S CB 0.431 63.652 63.200 0.034 0.000 0.953 409 S HN 0.410 nan 8.310 nan 0.000 0.547 410 L N 0.645 121.890 121.223 0.037 0.000 2.043 410 L HA -0.180 4.163 4.340 0.005 0.000 0.212 410 L C 2.685 179.567 176.870 0.020 0.000 1.075 410 L CA 1.794 56.649 54.840 0.026 0.000 0.752 410 L CB -0.951 41.122 42.059 0.023 0.000 0.891 410 L HN 0.722 nan 8.230 nan 0.000 0.432 411 E N 0.372 120.585 120.200 0.021 0.000 2.021 411 E HA -0.231 4.122 4.350 0.005 0.000 0.200 411 E C 1.954 178.568 176.600 0.022 0.000 1.015 411 E CA 1.741 58.152 56.400 0.018 0.000 0.824 411 E CB -0.345 29.365 29.700 0.016 0.000 0.762 411 E HN 0.380 nan 8.360 nan 0.000 0.454 412 N N 0.218 118.930 118.700 0.021 0.000 2.166 412 N HA -0.118 4.625 4.740 0.005 0.000 0.186 412 N C 1.821 177.368 175.510 0.061 0.000 1.019 412 N CA 0.812 53.875 53.050 0.022 0.000 0.856 412 N CB -0.269 38.217 38.487 -0.002 0.000 0.993 412 N HN 0.122 nan 8.380 nan 0.000 0.426 413 L N 0.413 121.676 121.223 0.067 0.000 1.976 413 L HA -0.139 4.204 4.340 0.005 0.000 0.209 413 L C 2.355 179.282 176.870 0.095 0.000 1.071 413 L CA 1.452 56.365 54.840 0.122 0.000 0.746 413 L CB -0.650 41.439 42.059 0.050 0.000 0.890 413 L HN 0.143 nan 8.230 nan 0.000 0.432 414 A N -0.455 122.380 122.820 0.024 0.000 1.972 414 A HA -0.201 4.122 4.320 0.005 0.000 0.219 414 A C 1.638 179.251 177.584 0.048 0.000 1.169 414 A CA 1.833 53.871 52.037 0.001 0.000 0.635 414 A CB -0.454 18.540 19.000 -0.011 0.000 0.810 414 A HN 0.397 nan 8.150 nan 0.000 0.446 415 D N -0.603 119.833 120.400 0.061 0.000 2.349 415 D HA 0.247 4.890 4.640 0.005 0.000 0.224 415 D C 1.215 177.569 176.300 0.089 0.000 1.029 415 D CA 0.910 54.944 54.000 0.056 0.000 0.879 415 D CB -0.415 40.402 40.800 0.028 0.000 0.906 415 D HN 0.531 nan 8.370 nan 0.000 0.528 416 G N 0.739 109.652 108.800 0.188 0.000 2.371 416 G HA2 -0.261 3.702 3.960 0.005 0.000 0.299 416 G HA3 -0.261 3.702 3.960 0.005 0.000 0.299 416 G C 0.755 175.660 174.900 0.008 0.000 1.014 416 G CA 0.515 45.742 45.100 0.211 0.000 1.097 416 G HN 0.339 nan 8.290 nan 0.000 0.512 417 V N -0.934 118.982 119.914 0.005 0.000 3.426 417 V HA 0.505 4.628 4.120 0.005 0.000 0.271 417 V C 1.722 177.773 176.094 -0.071 0.000 1.530 417 V CA 0.604 62.877 62.300 -0.045 0.000 1.021 417 V CB 0.108 31.917 31.823 -0.023 0.000 0.824 417 V HN 1.267 nan 8.190 nan 0.000 0.432 418 A N 1.383 124.169 122.820 -0.057 0.000 2.520 418 A HA 0.417 4.740 4.320 0.005 0.000 0.245 418 A C 1.012 178.481 177.584 -0.192 0.000 1.072 418 A CA 0.941 52.913 52.037 -0.110 0.000 0.761 418 A CB 0.125 19.081 19.000 -0.075 0.000 1.004 418 A HN 0.751 nan 8.150 nan 0.000 0.499 419 S N 0.948 116.510 115.700 -0.231 0.000 2.960 419 S HA 0.570 5.043 4.470 0.005 0.000 0.256 419 S C 0.573 174.958 174.600 -0.357 0.000 1.017 419 S CA 0.478 58.521 58.200 -0.261 0.000 1.144 419 S CB -0.262 62.844 63.200 -0.157 0.000 1.109 419 S HN 2.191 nan 8.310 nan 0.000 0.638 420 G N 0.760 109.241 108.800 -0.533 0.000 2.512 420 G HA2 0.464 4.427 3.960 0.005 0.000 0.181 420 G HA3 0.464 4.427 3.960 0.005 0.000 0.181 420 G C -2.111 172.158 174.900 -1.052 0.000 1.173 420 G CA -0.697 43.961 45.100 -0.736 0.000 0.988 420 G HN 0.271 nan 8.290 nan 0.000 0.485 421 F N -0.472 119.453 119.950 -0.041 0.000 2.591 421 F HA 0.743 5.273 4.527 0.005 0.000 0.309 421 F C -0.136 175.693 175.800 0.049 0.000 1.098 421 F CA -0.960 57.048 58.000 0.013 0.000 0.937 421 F CB 2.612 41.636 39.000 0.040 0.000 1.250 421 F HN 0.330 nan 8.300 nan 0.000 0.447 422 V N 2.751 122.803 119.914 0.231 0.000 2.789 422 V HA 0.594 4.717 4.120 0.005 0.000 0.311 422 V C -0.930 175.304 176.094 0.235 0.000 1.073 422 V CA -1.007 61.384 62.300 0.151 0.000 0.921 422 V CB 2.058 33.903 31.823 0.036 0.000 1.009 422 V HN 0.623 nan 8.190 nan 0.000 0.426 423 F N 0.813 120.794 119.950 0.052 0.000 2.532 423 F HA 0.739 5.269 4.527 0.005 0.000 0.321 423 F C 0.831 176.663 175.800 0.054 0.000 1.089 423 F CA -0.717 57.309 58.000 0.044 0.000 0.926 423 F CB 1.531 40.544 39.000 0.023 0.000 1.168 423 F HN 0.364 nan 8.300 nan 0.000 0.459 424 E N 1.115 121.381 120.200 0.110 0.000 2.028 424 E HA -0.035 4.318 4.350 0.005 0.000 0.190 424 E C -0.256 176.373 176.600 0.049 0.000 0.984 424 E CA 1.101 57.522 56.400 0.035 0.000 0.800 424 E CB -0.156 29.603 29.700 0.097 0.000 0.758 424 E HN 0.677 nan 8.360 nan 0.000 0.448 425 D N 0.372 120.915 120.400 0.239 0.000 2.277 425 D HA 0.179 4.822 4.640 0.005 0.000 0.250 425 D C -0.352 176.165 176.300 0.360 0.000 1.032 425 D CA -0.213 53.937 54.000 0.250 0.000 0.947 425 D CB 1.399 42.355 40.800 0.260 0.000 1.159 425 D HN -0.247 nan 8.370 nan 0.000 0.460 426 S N 1.361 117.212 115.700 0.251 0.000 3.812 426 S HA 0.141 4.614 4.470 0.005 0.000 0.195 426 S C 0.222 174.953 174.600 0.218 0.000 1.460 426 S CA -0.717 57.645 58.200 0.270 0.000 1.052 426 S CB -0.680 62.620 63.200 0.168 0.000 1.385 426 S HN 0.408 nan 8.310 nan 0.000 0.490 427 N N -0.443 118.396 118.700 0.232 0.000 2.902 427 N HA 0.482 5.225 4.740 0.005 0.000 0.268 427 N C 0.517 176.086 175.510 0.097 0.000 1.450 427 N CA -0.813 52.328 53.050 0.151 0.000 0.819 427 N CB 1.217 39.798 38.487 0.157 0.000 1.540 427 N HN 0.039 nan 8.380 nan 0.000 0.545 428 A N -0.248 122.615 122.820 0.070 0.000 1.970 428 A HA -0.041 4.282 4.320 0.005 0.000 0.216 428 A C 1.746 179.330 177.584 -0.000 0.000 1.170 428 A CA 0.506 52.539 52.037 -0.006 0.000 0.645 428 A CB -1.010 17.991 19.000 0.001 0.000 0.816 428 A HN 0.784 nan 8.150 nan 0.000 0.447 429 W N 2.162 123.425 121.300 -0.062 0.000 2.333 429 W HA -0.300 4.363 4.660 0.005 0.000 0.316 429 W C 2.588 179.066 176.519 -0.068 0.000 1.215 429 W CA 3.075 60.390 57.345 -0.051 0.000 1.278 429 W CB -0.309 29.140 29.460 -0.017 0.000 1.154 429 W HN 0.393 nan 8.180 nan 0.000 0.486 430 S N 0.181 115.924 115.700 0.073 0.000 2.383 430 S HA -0.219 4.254 4.470 0.005 0.000 0.227 430 S C 1.771 176.133 174.600 -0.397 0.000 1.026 430 S CA 1.217 59.348 58.200 -0.115 0.000 0.981 430 S CB -1.173 62.195 63.200 0.280 0.000 0.818 430 S HN 0.283 nan 8.310 nan 0.000 0.472 431 L N 2.116 122.956 121.223 -0.639 0.000 1.989 431 L HA 0.067 4.410 4.340 0.005 0.000 0.211 431 L C 2.192 178.738 176.870 -0.540 0.000 1.071 431 L CA 1.514 55.752 54.840 -1.004 0.000 0.749 431 L CB -1.194 40.332 42.059 -0.889 0.000 0.890 431 L HN 0.331 nan 8.230 nan 0.000 0.431 432 L N -0.708 120.265 121.223 -0.417 0.000 2.081 432 L HA -0.261 4.082 4.340 0.005 0.000 0.212 432 L C 2.801 179.459 176.870 -0.353 0.000 1.080 432 L CA 1.060 55.695 54.840 -0.341 0.000 0.754 432 L CB -0.613 41.267 42.059 -0.298 0.000 0.893 432 L HN 0.277 nan 8.230 nan 0.000 0.433 433 R N -0.065 120.140 120.500 -0.491 0.000 2.081 433 R HA -0.102 4.241 4.340 0.005 0.000 0.235 433 R C 2.307 178.487 176.300 -0.200 0.000 1.131 433 R CA 1.537 57.391 56.100 -0.409 0.000 0.960 433 R CB -1.197 28.758 30.300 -0.574 0.000 0.856 433 R HN 0.392 nan 8.270 nan 0.000 0.436 434 A N 0.862 123.582 122.820 -0.167 0.000 1.933 434 A HA -0.107 4.215 4.320 0.005 0.000 0.218 434 A C 2.357 179.852 177.584 -0.148 0.000 1.175 434 A CA 1.225 53.227 52.037 -0.059 0.000 0.628 434 A CB -0.513 18.516 19.000 0.048 0.000 0.814 434 A HN 0.217 nan 8.150 nan 0.000 0.444 435 I N -1.121 119.347 120.570 -0.171 0.000 2.127 435 I HA -0.291 3.882 4.170 0.005 0.000 0.241 435 I C 2.777 178.916 176.117 0.036 0.000 1.075 435 I CA 1.325 62.552 61.300 -0.123 0.000 1.334 435 I CB -0.389 37.501 38.000 -0.183 0.000 1.040 435 I HN 0.262 nan 8.210 nan 0.000 0.405 436 R N 0.646 121.174 120.500 0.048 0.000 2.113 436 R HA -0.270 4.073 4.340 0.005 0.000 0.244 436 R C 2.376 178.756 176.300 0.134 0.000 1.142 436 R CA 2.151 58.328 56.100 0.128 0.000 0.953 436 R CB -0.709 29.588 30.300 -0.006 0.000 0.860 436 R HN 0.390 nan 8.270 nan 0.000 0.438 437 R N 0.268 120.791 120.500 0.038 0.000 2.096 437 R HA -0.159 4.184 4.340 0.005 0.000 0.240 437 R C 2.156 178.487 176.300 0.052 0.000 1.139 437 R CA 1.989 58.142 56.100 0.088 0.000 0.952 437 R CB -0.450 29.932 30.300 0.136 0.000 0.854 437 R HN 0.227 nan 8.270 nan 0.000 0.436 438 A N 0.349 122.961 122.820 -0.346 0.000 1.892 438 A HA -0.175 4.148 4.320 0.005 0.000 0.218 438 A C 2.092 179.703 177.584 0.045 0.000 1.188 438 A CA 1.703 53.413 52.037 -0.545 0.000 0.631 438 A CB -0.950 17.550 19.000 -0.834 0.000 0.822 438 A HN 0.458 nan 8.150 nan 0.000 0.447 439 F N -0.064 119.945 119.950 0.099 0.000 2.095 439 F HA -0.190 4.340 4.527 0.005 0.000 0.298 439 F C 2.485 178.432 175.800 0.246 0.000 1.104 439 F CA 1.649 59.744 58.000 0.158 0.000 1.232 439 F CB -0.655 38.389 39.000 0.073 0.000 0.987 439 F HN 0.038 nan 8.300 nan 0.000 0.475 440 V N -0.080 120.057 119.914 0.371 0.000 2.332 440 V HA -0.300 3.823 4.120 0.005 0.000 0.248 440 V C 2.272 178.567 176.094 0.335 0.000 1.055 440 V CA 1.625 64.100 62.300 0.291 0.000 1.038 440 V CB -0.776 31.174 31.823 0.212 0.000 0.651 440 V HN 0.259 nan 8.190 nan 0.000 0.450 441 L N -0.368 121.112 121.223 0.428 0.000 1.994 441 L HA -0.171 4.172 4.340 0.005 0.000 0.208 441 L C 2.237 179.503 176.870 0.660 0.000 1.071 441 L CA 2.093 57.248 54.840 0.526 0.000 0.745 441 L CB -0.850 41.590 42.059 0.635 0.000 0.892 441 L HN 0.526 nan 8.230 nan 0.000 0.431 442 W N 0.235 121.841 121.300 0.511 0.000 2.290 442 W HA -0.332 4.331 4.660 0.005 0.000 0.311 442 W C 2.245 178.793 176.519 0.048 0.000 1.238 442 W CA 2.072 59.452 57.345 0.058 0.000 1.255 442 W CB -0.395 28.918 29.460 -0.246 0.000 1.145 442 W HN 0.532 nan 8.180 nan 0.000 0.506 443 S N 0.489 116.355 115.700 0.276 0.000 2.720 443 S HA 0.090 4.563 4.470 0.005 0.000 0.222 443 S C 0.536 175.164 174.600 0.047 0.000 0.958 443 S CA 0.083 58.353 58.200 0.116 0.000 0.943 443 S CB -0.364 62.946 63.200 0.183 0.000 0.779 443 S HN 0.248 nan 8.310 nan 0.000 0.526 444 R N 1.132 121.671 120.500 0.064 0.000 2.644 444 R HA 0.262 4.605 4.340 0.005 0.000 0.271 444 R C -2.380 173.946 176.300 0.043 0.000 1.687 444 R CA -1.657 54.472 56.100 0.048 0.000 1.655 444 R CB 1.060 31.412 30.300 0.087 0.000 1.285 444 R HN 0.212 nan 8.270 nan 0.000 0.643 445 P HA -0.263 nan 4.420 nan 0.000 0.217 445 P C 1.372 178.688 177.300 0.026 0.000 1.148 445 P CA 1.569 64.593 63.100 -0.127 0.000 0.834 445 P CB 0.362 31.926 31.700 -0.226 0.000 0.783 446 S N -0.728 114.990 115.700 0.030 0.000 2.387 446 S HA -0.065 4.408 4.470 0.005 0.000 0.226 446 S C 2.134 176.809 174.600 0.124 0.000 1.026 446 S CA 0.517 58.752 58.200 0.058 0.000 0.972 446 S CB -1.411 61.801 63.200 0.019 0.000 0.814 446 S HN 0.048 nan 8.310 nan 0.000 0.477 447 L N -0.042 121.255 121.223 0.122 0.000 2.017 447 L HA -0.070 4.273 4.340 0.005 0.000 0.208 447 L C 2.723 179.748 176.870 0.257 0.000 1.073 447 L CA 1.676 56.616 54.840 0.166 0.000 0.745 447 L CB -0.608 41.528 42.059 0.128 0.000 0.894 447 L HN 0.524 nan 8.230 nan 0.000 0.432 448 W N 1.571 122.917 121.300 0.077 0.000 2.317 448 W HA -0.327 4.336 4.660 0.005 0.000 0.318 448 W C 2.782 179.340 176.519 0.065 0.000 1.227 448 W CA 2.264 59.656 57.345 0.079 0.000 1.269 448 W CB -0.304 29.160 29.460 0.007 0.000 1.155 448 W HN 0.150 nan 8.180 nan 0.000 0.484 449 R N -0.057 120.628 120.500 0.308 0.000 2.091 449 R HA -0.249 4.094 4.340 0.005 0.000 0.238 449 R C 2.532 178.901 176.300 0.115 0.000 1.136 449 R CA 2.214 58.427 56.100 0.188 0.000 0.959 449 R CB -1.536 28.848 30.300 0.140 0.000 0.856 449 R HN 0.174 nan 8.270 nan 0.000 0.437 450 F N 0.157 120.110 119.950 0.006 0.000 2.065 450 F HA -0.239 4.291 4.527 0.005 0.000 0.298 450 F C 1.757 177.513 175.800 -0.074 0.000 1.112 450 F CA 1.997 59.981 58.000 -0.027 0.000 1.212 450 F CB -0.296 38.691 39.000 -0.021 0.000 0.975 450 F HN -0.112 nan 8.300 nan 0.000 0.476 451 V N 0.429 120.269 119.914 -0.123 0.000 2.515 451 V HA -0.281 3.842 4.120 0.005 0.000 0.250 451 V C 2.171 178.070 176.094 -0.325 0.000 1.058 451 V CA 2.036 64.150 62.300 -0.310 0.000 1.064 451 V CB -0.967 30.667 31.823 -0.314 0.000 0.675 451 V HN 0.437 nan 8.190 nan 0.000 0.461 452 Q N 0.104 119.753 119.800 -0.252 0.000 2.046 452 Q HA -0.176 4.167 4.340 0.005 0.000 0.200 452 Q C 2.511 178.439 176.000 -0.120 0.000 0.975 452 Q CA 1.556 57.266 55.803 -0.154 0.000 0.836 452 Q CB -0.252 28.471 28.738 -0.025 0.000 0.896 452 Q HN 0.614 nan 8.270 nan 0.000 0.428 453 R N 0.516 120.935 120.500 -0.135 0.000 2.091 453 R HA -0.197 4.146 4.340 0.005 0.000 0.238 453 R C 2.268 178.453 176.300 -0.192 0.000 1.136 453 R CA 1.463 57.483 56.100 -0.133 0.000 0.959 453 R CB -0.249 29.973 30.300 -0.131 0.000 0.856 453 R HN 0.225 nan 8.270 nan 0.000 0.437 454 Q N 0.456 120.066 119.800 -0.316 0.000 2.050 454 Q HA -0.121 4.222 4.340 0.005 0.000 0.202 454 Q C 2.220 178.110 176.000 -0.183 0.000 0.980 454 Q CA 2.067 57.691 55.803 -0.298 0.000 0.840 454 Q CB -0.283 28.203 28.738 -0.420 0.000 0.898 454 Q HN 0.420 nan 8.270 nan 0.000 0.424 455 A N 0.213 122.931 122.820 -0.169 0.000 1.883 455 A HA -0.248 4.075 4.320 0.005 0.000 0.217 455 A C 2.043 179.604 177.584 -0.039 0.000 1.186 455 A CA 1.972 53.951 52.037 -0.097 0.000 0.624 455 A CB -0.620 18.316 19.000 -0.105 0.000 0.822 455 A HN 0.409 nan 8.150 nan 0.000 0.444 456 M N -0.603 118.973 119.600 -0.040 0.000 2.175 456 M HA -0.092 4.391 4.480 0.005 0.000 0.264 456 M C 2.483 178.765 176.300 -0.030 0.000 1.063 456 M CA 1.278 56.574 55.300 -0.007 0.000 1.119 456 M CB -0.498 32.105 32.600 0.006 0.000 1.377 456 M HN 0.463 nan 8.290 nan 0.000 0.415 457 A N 0.619 123.399 122.820 -0.067 0.000 1.933 457 A HA -0.039 4.284 4.320 0.005 0.000 0.218 457 A C 1.364 178.888 177.584 -0.100 0.000 1.175 457 A CA 0.763 52.751 52.037 -0.082 0.000 0.628 457 A CB -0.492 18.446 19.000 -0.104 0.000 0.814 457 A HN 0.382 nan 8.150 nan 0.000 0.444 458 M N 1.180 120.715 119.600 -0.108 0.000 2.243 458 M HA -0.030 4.453 4.480 0.005 0.000 0.365 458 M C -0.534 175.609 176.300 -0.263 0.000 1.327 458 M CA 0.330 55.508 55.300 -0.203 0.000 0.918 458 M CB -0.720 31.826 32.600 -0.091 0.000 1.894 458 M HN 0.189 nan 8.290 nan 0.000 0.473 459 D N 3.406 123.545 120.400 -0.435 0.000 2.441 459 D HA 0.316 4.959 4.640 0.005 0.000 0.221 459 D C -0.965 174.984 176.300 -0.584 0.000 1.156 459 D CA -0.066 53.719 54.000 -0.358 0.000 0.896 459 D CB -0.275 40.365 40.800 -0.268 0.000 1.028 459 D HN 0.383 nan 8.370 nan 0.000 0.509 460 F N 1.724 121.611 119.950 -0.105 0.000 2.893 460 F HA 0.153 4.683 4.527 0.005 0.000 0.340 460 F C 1.026 176.698 175.800 -0.212 0.000 1.300 460 F CA -0.714 57.187 58.000 -0.165 0.000 1.227 460 F CB 0.281 39.166 39.000 -0.190 0.000 1.044 460 F HN 0.104 nan 8.300 nan 0.000 0.512 461 S N -2.029 113.640 115.700 -0.052 0.000 2.669 461 S HA 0.147 4.620 4.470 0.005 0.000 0.270 461 S C 0.850 175.400 174.600 -0.084 0.000 1.225 461 S CA -0.715 57.454 58.200 -0.052 0.000 0.991 461 S CB 0.777 64.002 63.200 0.041 0.000 0.987 461 S HN 0.498 nan 8.310 nan 0.000 0.552 462 W N 0.467 121.832 121.300 0.107 0.000 2.392 462 W HA -0.055 4.608 4.660 0.005 0.000 0.279 462 W C 2.787 179.372 176.519 0.110 0.000 1.225 462 W CA 0.863 58.278 57.345 0.117 0.000 1.233 462 W CB -0.163 29.367 29.460 0.118 0.000 1.122 462 W HN 0.869 nan 8.180 nan 0.000 0.561 463 Q N 0.614 120.581 119.800 0.278 0.000 2.181 463 Q HA -0.210 4.133 4.340 0.005 0.000 0.205 463 Q C 1.817 177.901 176.000 0.141 0.000 0.980 463 Q CA 2.036 57.954 55.803 0.191 0.000 0.862 463 Q CB -0.344 28.469 28.738 0.125 0.000 0.905 463 Q HN 0.228 nan 8.270 nan 0.000 0.429 464 V N 1.268 121.236 119.914 0.089 0.000 2.270 464 V HA -0.244 3.879 4.120 0.005 0.000 0.245 464 V C 2.531 178.666 176.094 0.069 0.000 1.043 464 V CA 1.838 64.158 62.300 0.032 0.000 1.014 464 V CB -1.145 30.655 31.823 -0.039 0.000 0.645 464 V HN 0.547 nan 8.190 nan 0.000 0.447 465 A N -0.060 122.835 122.820 0.125 0.000 1.908 465 A HA -0.172 4.151 4.320 0.005 0.000 0.218 465 A C 2.424 180.187 177.584 0.298 0.000 1.181 465 A CA 2.264 54.417 52.037 0.195 0.000 0.627 465 A CB -0.869 18.366 19.000 0.391 0.000 0.818 465 A HN 0.593 nan 8.150 nan 0.000 0.445 466 A N -0.017 123.013 122.820 0.349 0.000 1.849 466 A HA -0.258 4.065 4.320 0.005 0.000 0.217 466 A C 2.099 179.818 177.584 0.224 0.000 1.202 466 A CA 2.150 54.386 52.037 0.332 0.000 0.629 466 A CB -0.671 18.500 19.000 0.284 0.000 0.834 466 A HN 0.546 nan 8.150 nan 0.000 0.447 467 K N -0.176 120.309 120.400 0.142 0.000 2.034 467 K HA -0.172 4.151 4.320 0.005 0.000 0.214 467 K C 2.440 179.059 176.600 0.032 0.000 1.051 467 K CA 1.838 58.172 56.287 0.078 0.000 0.931 467 K CB -0.330 32.192 32.500 0.036 0.000 0.715 467 K HN 0.484 nan 8.250 nan 0.000 0.446 468 S N 0.272 115.961 115.700 -0.020 0.000 2.359 468 S HA -0.189 4.284 4.470 0.005 0.000 0.223 468 S C 1.932 176.423 174.600 -0.181 0.000 1.039 468 S CA 1.533 59.650 58.200 -0.138 0.000 1.042 468 S CB -0.511 62.538 63.200 -0.252 0.000 0.915 468 S HN 0.302 nan 8.310 nan 0.000 0.439 469 Y N 1.379 121.623 120.300 -0.094 0.000 2.200 469 Y HA -0.095 4.458 4.550 0.005 0.000 0.290 469 Y C 2.740 178.285 175.900 -0.592 0.000 1.137 469 Y CA 1.272 59.152 58.100 -0.367 0.000 1.163 469 Y CB -0.189 38.114 38.460 -0.263 0.000 0.988 469 Y HN 0.117 nan 8.280 nan 0.000 0.518 470 R N 0.919 121.410 120.500 -0.015 0.000 2.122 470 R HA -0.285 4.058 4.340 0.005 0.000 0.236 470 R C 1.961 178.393 176.300 0.220 0.000 1.129 470 R CA 2.450 58.670 56.100 0.200 0.000 0.925 470 R CB -0.374 30.075 30.300 0.249 0.000 0.850 470 R HN 0.362 nan 8.270 nan 0.000 0.431 471 E N 0.501 120.756 120.200 0.093 0.000 2.065 471 E HA -0.260 4.093 4.350 0.005 0.000 0.201 471 E C 2.078 178.714 176.600 0.059 0.000 1.016 471 E CA 1.820 58.261 56.400 0.069 0.000 0.818 471 E CB -0.252 29.443 29.700 -0.008 0.000 0.749 471 E HN 0.351 nan 8.360 nan 0.000 0.453 472 L N 0.145 121.327 121.223 -0.069 0.000 1.963 472 L HA -0.315 4.028 4.340 0.005 0.000 0.220 472 L C 2.231 179.098 176.870 -0.005 0.000 1.076 472 L CA 1.824 56.585 54.840 -0.131 0.000 0.772 472 L CB -0.491 41.422 42.059 -0.243 0.000 0.892 472 L HN 0.377 nan 8.230 nan 0.000 0.435 473 Y N -1.349 118.988 120.300 0.062 0.000 2.062 473 Y HA -0.340 4.213 4.550 0.005 0.000 0.276 473 Y C 1.319 177.174 175.900 -0.075 0.000 1.189 473 Y CA 0.942 59.025 58.100 -0.028 0.000 1.130 473 Y CB -0.715 37.721 38.460 -0.039 0.000 0.959 473 Y HN 0.193 nan 8.280 nan 0.000 0.499 474 Y N 1.726 122.116 120.300 0.151 0.000 3.168 474 Y HA 0.120 4.673 4.550 0.005 0.000 0.373 474 Y C 0.272 176.191 175.900 0.032 0.000 1.073 474 Y CA 0.232 58.377 58.100 0.074 0.000 2.070 474 Y CB -0.788 37.708 38.460 0.060 0.000 2.252 474 Y HN 0.063 nan 8.280 nan 0.000 0.404 475 R N 0.000 120.563 120.500 0.106 0.000 2.786 475 R HA 0.000 4.343 4.340 0.005 0.000 0.208 475 R CA 0.000 56.138 56.100 0.063 0.000 0.921 475 R CB 0.000 30.323 30.300 0.038 0.000 0.687 475 R HN 0.000 nan 8.270 nan 0.000 0.535