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 3ek1_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLALKDPSLL KSQCLVNGRW IDAADGTTIK VTNPADGSVI GTVPSLSVAT DATA SEQUENCE IKEAIDASAK ALSGWAAKTA KERAGILRKW FDLIIANADD IALIMTSEQG DATA SEQUENCE KPLAEARGEV LYAASFIEWF AEEAKRVYGD TIPAPQNGQR LTVIRQPVGV DATA SEQUENCE TAAITPWNFP AAMITRKAAP ALAAGCTMIV RPADLTPLTA LALGVLAEKA DATA SEQUENCE GIPAGVLQIV TGKAREIGAE LTSNDTVRKL SFTGSTEVGR LLMAQCAPTI DATA SEQUENCE KRISLELGGN APFIVFDDAD LDAAVDGAMV SKYRNAGQTC VCANRIYVQR DATA SEQUENCE GVYDKFAEKL AAKVKELKVG NGTEPGVVIG PMIEEKAITK VKAHIEDAVS DATA SEQUENCE KGAKLITGGK ELGGLFFEPG ILTGVTSDML VAKEETFGPL APLFAFDTEE DATA SEQUENCE EVIAQANDTI FGLAAYFYTE NFSRAIRVSE ALEYGMVGHN TGLISNEVAP DATA SEQUENCE FGGVKQSGLG REGSKYGIEE YLETKYICSA YKR 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 0.000 176.298 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 L N 2.670 123.890 121.223 -0.004 0.000 2.397 2 L HA 0.659 5.032 4.340 0.055 0.000 0.271 2 L C 1.236 178.104 176.870 -0.004 0.000 1.148 2 L CA -0.443 54.396 54.840 -0.003 0.000 0.825 2 L CB 1.625 43.682 42.059 -0.002 0.000 1.117 2 L HN 1.190 nan 8.230 nan 0.000 0.456 3 A N 6.234 129.053 122.820 -0.002 0.000 3.056 3 A HA 0.414 4.767 4.320 0.055 0.000 0.274 3 A C -0.129 177.453 177.584 -0.003 0.000 1.661 3 A CA -0.326 51.709 52.037 -0.003 0.000 1.363 3 A CB -0.763 18.236 19.000 -0.002 0.000 1.139 3 A HN 0.582 nan 8.150 nan 0.000 0.598 4 L N 1.185 122.404 121.223 -0.006 0.000 2.312 4 L HA 0.258 4.632 4.340 0.055 0.000 0.281 4 L C 1.059 177.924 176.870 -0.008 0.000 1.070 4 L CA -0.658 54.178 54.840 -0.007 0.000 0.805 4 L CB 1.459 43.512 42.059 -0.010 0.000 1.174 4 L HN 0.573 nan 8.230 nan 0.000 0.434 5 K N 0.445 120.841 120.400 -0.006 0.000 2.097 5 K HA -0.107 4.246 4.320 0.055 0.000 0.206 5 K C 0.279 176.874 176.600 -0.009 0.000 1.049 5 K CA 1.037 57.320 56.287 -0.006 0.000 0.933 5 K CB 0.020 32.517 32.500 -0.005 0.000 0.717 5 K HN 0.399 nan 8.250 nan 0.000 0.442 6 D N -0.159 120.235 120.400 -0.010 0.000 2.446 6 D HA 0.121 4.794 4.640 0.055 0.000 0.251 6 D C -2.068 174.218 176.300 -0.024 0.000 1.137 6 D CA -2.573 51.418 54.000 -0.015 0.000 0.890 6 D CB 1.290 42.083 40.800 -0.011 0.000 1.071 6 D HN -0.140 nan 8.370 nan 0.000 0.528 7 P HA -0.117 nan 4.420 nan 0.000 0.226 7 P C 1.152 178.418 177.300 -0.056 0.000 1.153 7 P CA 0.546 63.624 63.100 -0.036 0.000 0.777 7 P CB 0.105 31.786 31.700 -0.031 0.000 0.794 8 S N -0.532 115.129 115.700 -0.064 0.000 2.537 8 S HA -0.056 4.447 4.470 0.055 0.000 0.240 8 S C 1.858 176.384 174.600 -0.123 0.000 0.981 8 S CA 0.472 58.610 58.200 -0.104 0.000 0.948 8 S CB -1.515 61.628 63.200 -0.096 0.000 0.759 8 S HN 0.114 nan 8.310 nan 0.000 0.531 9 L N -0.088 121.090 121.223 -0.075 0.000 2.376 9 L HA 0.255 4.628 4.340 0.055 0.000 0.219 9 L C 0.761 177.589 176.870 -0.070 0.000 1.133 9 L CA 0.249 55.053 54.840 -0.059 0.000 0.816 9 L CB -0.234 41.816 42.059 -0.015 0.000 0.933 9 L HN 0.344 nan 8.230 nan 0.000 0.449 10 L N 1.040 122.216 121.223 -0.078 0.000 2.265 10 L HA 0.354 4.728 4.340 0.055 0.000 0.289 10 L C -0.391 176.419 176.870 -0.100 0.000 1.033 10 L CA 0.044 54.847 54.840 -0.062 0.000 0.814 10 L CB 0.360 42.396 42.059 -0.039 0.000 1.203 10 L HN -0.159 nan 8.230 nan 0.000 0.423 11 K N 2.407 122.752 120.400 -0.092 0.000 2.267 11 K HA 0.511 4.864 4.320 0.055 0.000 0.246 11 K C 0.288 176.870 176.600 -0.030 0.000 0.954 11 K CA -0.219 55.993 56.287 -0.125 0.000 0.824 11 K CB 1.918 34.298 32.500 -0.200 0.000 1.167 11 K HN 0.590 nan 8.250 nan 0.000 0.431 12 S N -0.015 115.675 115.700 -0.017 0.000 2.663 12 S HA 0.199 4.702 4.470 0.055 0.000 0.243 12 S C 0.026 174.670 174.600 0.074 0.000 1.009 12 S CA -0.469 57.748 58.200 0.028 0.000 0.988 12 S CB 0.294 63.501 63.200 0.010 0.000 0.896 12 S HN 0.530 nan 8.310 nan 0.000 0.502 13 Q N -0.060 119.822 119.800 0.137 0.000 2.495 13 Q HA 0.577 4.950 4.340 0.055 0.000 0.287 13 Q C -1.201 175.016 176.000 0.362 0.000 1.078 13 Q CA -0.977 54.966 55.803 0.233 0.000 0.793 13 Q CB 1.962 30.871 28.738 0.285 0.000 1.459 13 Q HN 0.332 nan 8.270 nan 0.000 0.422 14 C N 1.073 120.515 119.300 0.236 0.000 2.382 14 C HA 0.499 4.993 4.460 0.055 0.000 0.363 14 C C -0.241 174.680 174.990 -0.116 0.000 1.213 14 C CA -0.550 58.535 59.018 0.112 0.000 2.363 14 C CB 0.135 27.892 27.740 0.029 0.000 2.397 14 C HN 0.643 nan 8.230 nan 0.000 0.573 15 L N 3.296 124.279 121.223 -0.400 0.000 2.259 15 L HA 0.645 5.019 4.340 0.055 0.000 0.288 15 L C -0.663 175.944 176.870 -0.440 0.000 1.051 15 L CA 0.480 54.828 54.840 -0.820 0.000 0.824 15 L CB 0.383 41.832 42.059 -1.017 0.000 1.206 15 L HN 0.524 nan 8.230 nan 0.000 0.429 16 V N 5.345 125.033 119.914 -0.376 0.000 2.482 16 V HA 0.352 4.505 4.120 0.055 0.000 0.295 16 V C 0.264 176.229 176.094 -0.215 0.000 1.026 16 V CA -0.828 61.335 62.300 -0.229 0.000 0.856 16 V CB 1.404 33.141 31.823 -0.143 0.000 1.001 16 V HN 0.815 nan 8.190 nan 0.000 0.424 17 N N 3.975 122.561 118.700 -0.190 0.000 2.714 17 N HA -0.208 4.565 4.740 0.055 0.000 0.252 17 N C 1.107 176.511 175.510 -0.176 0.000 1.014 17 N CA 1.853 54.807 53.050 -0.159 0.000 0.735 17 N CB -0.929 37.493 38.487 -0.109 0.000 0.924 17 N HN 1.728 nan 8.380 nan 0.000 0.540 18 G N -1.196 107.456 108.800 -0.247 0.000 2.166 18 G HA2 -0.362 3.631 3.960 0.055 0.000 0.260 18 G HA3 -0.362 3.631 3.960 0.055 0.000 0.260 18 G C 0.208 174.964 174.900 -0.240 0.000 0.986 18 G CA 0.913 45.867 45.100 -0.242 0.000 0.683 18 G HN 0.742 nan 8.290 nan 0.000 0.527 19 R N -1.875 118.454 120.500 -0.284 0.000 2.854 19 R HA 0.629 5.002 4.340 0.055 0.000 0.271 19 R C -0.992 175.093 176.300 -0.359 0.000 0.996 19 R CA -0.902 55.075 56.100 -0.204 0.000 0.961 19 R CB 1.077 31.334 30.300 -0.071 0.000 1.182 19 R HN 0.179 nan 8.270 nan 0.000 0.479 20 W N 3.772 125.062 121.300 -0.015 0.000 2.314 20 W HA 0.478 5.171 4.660 0.055 0.000 0.310 20 W C -0.018 176.497 176.519 -0.007 0.000 1.075 20 W CA -0.423 56.916 57.345 -0.011 0.000 1.253 20 W CB 0.760 30.216 29.460 -0.007 0.000 1.238 20 W HN 0.407 nan 8.180 nan 0.000 0.440 21 I N -0.250 120.412 120.570 0.153 0.000 2.892 21 I HA 0.600 4.803 4.170 0.055 0.000 0.306 21 I C -0.323 175.849 176.117 0.092 0.000 1.078 21 I CA -1.080 60.273 61.300 0.088 0.000 1.032 21 I CB 2.051 40.064 38.000 0.023 0.000 1.229 21 I HN 0.158 nan 8.210 nan 0.000 0.435 22 D N 2.360 122.799 120.400 0.065 0.000 2.437 22 D HA 0.464 5.137 4.640 0.055 0.000 0.259 22 D C -0.101 176.220 176.300 0.035 0.000 1.118 22 D CA -0.325 53.706 54.000 0.053 0.000 1.017 22 D CB 1.896 42.723 40.800 0.044 0.000 1.120 22 D HN 0.786 nan 8.370 nan 0.000 0.541 23 A N 0.147 122.985 122.820 0.031 0.000 2.498 23 A HA 0.350 4.704 4.320 0.055 0.000 0.239 23 A C 1.269 178.864 177.584 0.017 0.000 1.068 23 A CA 0.418 52.468 52.037 0.021 0.000 0.766 23 A CB 0.384 19.396 19.000 0.021 0.000 1.003 23 A HN 0.625 nan 8.150 nan 0.000 0.497 24 A N 2.061 124.888 122.820 0.012 0.000 1.915 24 A HA -0.240 4.113 4.320 0.055 0.000 0.220 24 A C 1.471 179.062 177.584 0.010 0.000 1.198 24 A CA 2.340 54.383 52.037 0.010 0.000 0.647 24 A CB -0.649 18.354 19.000 0.006 0.000 0.825 24 A HN 0.971 nan 8.150 nan 0.000 0.456 25 D N -2.344 118.063 120.400 0.011 0.000 2.328 25 D HA 0.301 4.974 4.640 0.055 0.000 0.226 25 D C 1.170 177.477 176.300 0.012 0.000 1.066 25 D CA 0.908 54.914 54.000 0.010 0.000 0.861 25 D CB -0.736 40.070 40.800 0.009 0.000 0.912 25 D HN 0.881 nan 8.370 nan 0.000 0.521 26 G N 0.490 109.298 108.800 0.015 0.000 2.196 26 G HA2 -0.329 3.664 3.960 0.055 0.000 0.268 26 G HA3 -0.329 3.664 3.960 0.055 0.000 0.268 26 G C 0.602 175.512 174.900 0.016 0.000 0.975 26 G CA 0.952 46.062 45.100 0.016 0.000 0.648 26 G HN 0.830 nan 8.290 nan 0.000 0.538 27 T N -0.568 113.995 114.554 0.016 0.000 2.900 27 T HA 0.588 4.971 4.350 0.055 0.000 0.307 27 T C 0.426 175.138 174.700 0.019 0.000 1.065 27 T CA 0.944 63.053 62.100 0.015 0.000 1.105 27 T CB 1.811 70.687 68.868 0.014 0.000 0.979 27 T HN 1.537 nan 8.240 nan 0.000 0.544 28 T N -0.803 113.762 114.554 0.018 0.000 2.841 28 T HA 0.696 5.080 4.350 0.055 0.000 0.296 28 T C -0.833 173.878 174.700 0.019 0.000 1.166 28 T CA -1.059 61.054 62.100 0.021 0.000 1.007 28 T CB 1.108 69.988 68.868 0.020 0.000 1.253 28 T HN 0.651 nan 8.240 nan 0.000 0.511 29 I N 1.059 121.642 120.570 0.022 0.000 2.465 29 I HA 0.410 4.613 4.170 0.055 0.000 0.291 29 I C 0.133 176.259 176.117 0.016 0.000 1.014 29 I CA -0.908 60.403 61.300 0.019 0.000 1.093 29 I CB 2.040 40.056 38.000 0.026 0.000 1.267 29 I HN 0.510 nan 8.210 nan 0.000 0.431 30 K N 4.620 125.025 120.400 0.008 0.000 2.218 30 K HA 0.512 4.865 4.320 0.055 0.000 0.276 30 K C -0.984 175.617 176.600 0.002 0.000 1.022 30 K CA -0.512 55.778 56.287 0.004 0.000 0.946 30 K CB 1.740 34.239 32.500 -0.001 0.000 1.000 30 K HN 0.273 nan 8.250 nan 0.000 0.468 31 V N 2.851 122.767 119.914 0.003 0.000 2.409 31 V HA 0.208 4.362 4.120 0.055 0.000 0.291 31 V C -0.175 175.914 176.094 -0.009 0.000 1.020 31 V CA -0.605 61.695 62.300 -0.001 0.000 0.848 31 V CB 1.689 33.518 31.823 0.010 0.000 0.990 31 V HN 0.773 nan 8.190 nan 0.000 0.430 32 T N 3.905 118.445 114.554 -0.022 0.000 2.888 32 T HA 0.329 4.713 4.350 0.055 0.000 0.284 32 T C -0.139 174.539 174.700 -0.036 0.000 1.017 32 T CA -0.504 61.580 62.100 -0.027 0.000 1.022 32 T CB 1.355 70.203 68.868 -0.034 0.000 1.013 32 T HN 0.607 nan 8.240 nan 0.000 0.465 33 N N 3.192 121.875 118.700 -0.029 0.000 2.408 33 N HA 0.196 4.969 4.740 0.055 0.000 0.257 33 N C -1.682 173.796 175.510 -0.053 0.000 1.064 33 N CA -2.176 50.855 53.050 -0.032 0.000 0.952 33 N CB 1.533 40.013 38.487 -0.011 0.000 1.093 33 N HN 0.199 nan 8.380 nan 0.000 0.490 34 P HA -0.052 nan 4.420 nan 0.000 0.225 34 P C 0.733 177.928 177.300 -0.175 0.000 1.148 34 P CA 0.698 63.710 63.100 -0.147 0.000 0.779 34 P CB 0.223 31.806 31.700 -0.194 0.000 0.780 35 A N 1.065 123.826 122.820 -0.098 0.000 1.929 35 A HA -0.144 4.209 4.320 0.055 0.000 0.216 35 A C 1.558 179.213 177.584 0.119 0.000 1.176 35 A CA 2.022 54.069 52.037 0.018 0.000 0.628 35 A CB -0.800 18.281 19.000 0.134 0.000 0.816 35 A HN 0.321 nan 8.150 nan 0.000 0.444 36 D N -4.873 115.560 120.400 0.055 0.000 2.516 36 D HA 0.286 4.959 4.640 0.055 0.000 0.241 36 D C 0.965 177.280 176.300 0.026 0.000 1.246 36 D CA 0.832 54.869 54.000 0.061 0.000 0.808 36 D CB -0.610 40.223 40.800 0.056 0.000 1.147 36 D HN 0.802 nan 8.370 nan 0.000 0.527 37 G N 0.793 109.594 108.800 0.002 0.000 2.168 37 G HA2 -0.292 3.702 3.960 0.055 0.000 0.263 37 G HA3 -0.292 3.702 3.960 0.055 0.000 0.263 37 G C 0.435 175.332 174.900 -0.006 0.000 0.977 37 G CA 0.603 45.698 45.100 -0.008 0.000 0.659 37 G HN 0.971 nan 8.290 nan 0.000 0.533 38 S N -0.933 114.766 115.700 -0.001 0.000 2.580 38 S HA 0.631 5.135 4.470 0.055 0.000 0.274 38 S C 0.261 174.858 174.600 -0.005 0.000 1.329 38 S CA -0.335 57.865 58.200 -0.000 0.000 1.036 38 S CB 2.466 65.669 63.200 0.004 0.000 0.919 38 S HN 0.913 nan 8.310 nan 0.000 0.515 39 V N 3.973 123.885 119.914 -0.004 0.000 2.406 39 V HA 0.222 4.375 4.120 0.055 0.000 0.272 39 V C 1.041 177.133 176.094 -0.003 0.000 1.043 39 V CA -0.355 61.942 62.300 -0.005 0.000 0.915 39 V CB 0.521 32.343 31.823 -0.003 0.000 0.988 39 V HN 0.965 nan 8.190 nan 0.000 0.466 40 I N 3.644 124.212 120.570 -0.003 0.000 2.480 40 I HA 0.281 4.484 4.170 0.055 0.000 0.251 40 I C 1.253 177.370 176.117 -0.001 0.000 1.124 40 I CA 1.245 62.545 61.300 -0.001 0.000 1.444 40 I CB 0.022 38.022 38.000 0.001 0.000 1.098 40 I HN 0.788 nan 8.210 nan 0.000 0.428 41 G N -0.243 108.558 108.800 0.001 0.000 2.317 41 G HA2 0.365 4.358 3.960 0.055 0.000 0.293 41 G HA3 0.365 4.358 3.960 0.055 0.000 0.293 41 G C -1.045 173.860 174.900 0.008 0.000 1.287 41 G CA -0.066 45.036 45.100 0.003 0.000 0.850 41 G HN 0.057 nan 8.290 nan 0.000 0.515 42 T N -2.438 112.123 114.554 0.012 0.000 2.930 42 T HA 0.879 5.262 4.350 0.055 0.000 0.290 42 T C -0.115 174.602 174.700 0.028 0.000 1.052 42 T CA -0.188 61.922 62.100 0.018 0.000 1.017 42 T CB 1.517 70.395 68.868 0.017 0.000 1.137 42 T HN 2.040 nan 8.240 nan 0.000 0.511 43 V N -2.630 117.305 119.914 0.036 0.000 3.040 43 V HA 0.834 4.987 4.120 0.055 0.000 0.312 43 V C -3.239 172.884 176.094 0.048 0.000 1.115 43 V CA -3.228 59.103 62.300 0.051 0.000 0.998 43 V CB 1.440 33.300 31.823 0.062 0.000 1.042 43 V HN 0.728 nan 8.190 nan 0.000 0.433 44 P HA 0.243 nan 4.420 nan 0.000 0.272 44 P C -0.495 176.828 177.300 0.039 0.000 1.223 44 P CA 0.083 63.210 63.100 0.046 0.000 0.784 44 P CB 0.795 32.525 31.700 0.051 0.000 0.923 45 S N 2.310 118.028 115.700 0.031 0.000 2.567 45 S HA 0.331 4.835 4.470 0.055 0.000 0.262 45 S C -0.188 174.425 174.600 0.023 0.000 1.237 45 S CA -0.621 57.595 58.200 0.027 0.000 1.093 45 S CB -1.140 62.074 63.200 0.023 0.000 1.095 45 S HN 0.205 nan 8.310 nan 0.000 0.489 46 L N 3.879 125.116 121.223 0.023 0.000 2.456 46 L HA 0.279 4.652 4.340 0.055 0.000 0.272 46 L C 1.142 178.019 176.870 0.013 0.000 1.189 46 L CA -0.473 54.377 54.840 0.016 0.000 0.846 46 L CB 0.692 42.759 42.059 0.013 0.000 1.111 46 L HN 0.640 nan 8.230 nan 0.000 0.475 47 S N 1.442 117.147 115.700 0.009 0.000 2.632 47 S HA 0.217 4.720 4.470 0.055 0.000 0.267 47 S C 1.102 175.705 174.600 0.004 0.000 1.276 47 S CA -0.981 57.223 58.200 0.007 0.000 0.998 47 S CB 1.607 64.810 63.200 0.005 0.000 0.953 47 S HN 0.330 nan 8.310 nan 0.000 0.547 48 V N 1.708 121.624 119.914 0.003 0.000 2.332 48 V HA -0.186 3.967 4.120 0.055 0.000 0.248 48 V C 2.987 179.080 176.094 -0.001 0.000 1.055 48 V CA 2.332 64.633 62.300 0.001 0.000 1.038 48 V CB -1.884 29.939 31.823 0.001 0.000 0.651 48 V HN 1.015 nan 8.190 nan 0.000 0.450 49 A N 0.164 122.983 122.820 -0.001 0.000 1.873 49 A HA -0.278 4.076 4.320 0.055 0.000 0.218 49 A C 2.416 179.996 177.584 -0.006 0.000 1.193 49 A CA 2.804 54.839 52.037 -0.003 0.000 0.629 49 A CB -1.157 17.842 19.000 -0.002 0.000 0.826 49 A HN 0.522 nan 8.150 nan 0.000 0.447 50 T N 0.544 115.094 114.554 -0.006 0.000 2.788 50 T HA -0.098 4.285 4.350 0.055 0.000 0.268 50 T C 1.771 176.462 174.700 -0.015 0.000 1.044 50 T CA 1.356 63.450 62.100 -0.011 0.000 1.139 50 T CB -0.314 68.550 68.868 -0.008 0.000 0.867 50 T HN 0.324 nan 8.240 nan 0.000 0.454 51 I N 1.685 122.249 120.570 -0.010 0.000 2.208 51 I HA -0.136 4.067 4.170 0.055 0.000 0.245 51 I C 2.253 178.361 176.117 -0.014 0.000 1.097 51 I CA 1.426 62.719 61.300 -0.011 0.000 1.363 51 I CB -1.003 36.995 38.000 -0.003 0.000 1.051 51 I HN 0.314 nan 8.210 nan 0.000 0.413 52 K N 0.691 121.085 120.400 -0.011 0.000 2.097 52 K HA -0.184 4.169 4.320 0.055 0.000 0.206 52 K C 1.972 178.563 176.600 -0.016 0.000 1.049 52 K CA 1.332 57.612 56.287 -0.011 0.000 0.933 52 K CB -0.125 32.370 32.500 -0.008 0.000 0.717 52 K HN 0.440 nan 8.250 nan 0.000 0.442 53 E N 0.504 120.693 120.200 -0.018 0.000 2.106 53 E HA -0.167 4.216 4.350 0.055 0.000 0.192 53 E C 2.058 178.638 176.600 -0.034 0.000 0.984 53 E CA 0.961 57.347 56.400 -0.024 0.000 0.806 53 E CB -0.089 29.597 29.700 -0.024 0.000 0.750 53 E HN 0.325 nan 8.360 nan 0.000 0.458 54 A N 1.240 124.038 122.820 -0.038 0.000 1.898 54 A HA -0.155 4.199 4.320 0.055 0.000 0.216 54 A C 2.168 179.725 177.584 -0.045 0.000 1.181 54 A CA 0.981 52.987 52.037 -0.051 0.000 0.620 54 A CB -0.523 18.445 19.000 -0.053 0.000 0.819 54 A HN 0.125 nan 8.150 nan 0.000 0.442 55 I N -0.071 120.481 120.570 -0.030 0.000 2.226 55 I HA -0.235 3.968 4.170 0.055 0.000 0.245 55 I C 1.829 177.932 176.117 -0.022 0.000 1.100 55 I CA 1.421 62.707 61.300 -0.023 0.000 1.374 55 I CB -0.430 37.562 38.000 -0.013 0.000 1.057 55 I HN 0.242 nan 8.210 nan 0.000 0.413 56 D N 1.145 121.531 120.400 -0.022 0.000 2.117 56 D HA -0.149 4.525 4.640 0.055 0.000 0.197 56 D C 2.275 178.559 176.300 -0.026 0.000 0.987 56 D CA 1.617 55.605 54.000 -0.019 0.000 0.829 56 D CB -0.229 40.560 40.800 -0.018 0.000 0.961 56 D HN 0.340 nan 8.370 nan 0.000 0.460 57 A N 0.329 123.127 122.820 -0.038 0.000 1.972 57 A HA -0.156 4.197 4.320 0.055 0.000 0.219 57 A C 2.356 179.908 177.584 -0.054 0.000 1.169 57 A CA 1.888 53.895 52.037 -0.049 0.000 0.635 57 A CB -0.599 18.361 19.000 -0.066 0.000 0.810 57 A HN 0.196 nan 8.150 nan 0.000 0.446 58 S N -0.577 115.090 115.700 -0.054 0.000 2.355 58 S HA -0.015 4.488 4.470 0.055 0.000 0.222 58 S C 2.228 176.811 174.600 -0.028 0.000 1.031 58 S CA 1.414 59.581 58.200 -0.056 0.000 0.993 58 S CB -0.429 62.742 63.200 -0.049 0.000 0.859 58 S HN 0.793 nan 8.310 nan 0.000 0.453 59 A N 0.865 123.676 122.820 -0.016 0.000 1.933 59 A HA -0.091 4.262 4.320 0.055 0.000 0.218 59 A C 2.066 179.651 177.584 0.002 0.000 1.175 59 A CA 1.850 53.887 52.037 -0.000 0.000 0.628 59 A CB -0.532 18.468 19.000 0.001 0.000 0.814 59 A HN 0.574 nan 8.150 nan 0.000 0.444 60 K N -0.495 119.901 120.400 -0.008 0.000 2.155 60 K HA 0.038 4.391 4.320 0.055 0.000 0.203 60 K C 1.966 178.568 176.600 0.005 0.000 1.052 60 K CA 0.978 57.264 56.287 -0.003 0.000 0.948 60 K CB -0.234 32.260 32.500 -0.011 0.000 0.728 60 K HN 0.383 nan 8.250 nan 0.000 0.448 61 A N 0.737 123.553 122.820 -0.006 0.000 2.067 61 A HA -0.059 4.294 4.320 0.055 0.000 0.217 61 A C 1.870 179.494 177.584 0.067 0.000 1.156 61 A CA 0.638 52.679 52.037 0.007 0.000 0.683 61 A CB -0.375 18.593 19.000 -0.053 0.000 0.808 61 A HN 0.352 nan 8.150 nan 0.000 0.455 62 L N -0.161 121.099 121.223 0.062 0.000 2.042 62 L HA -0.134 4.239 4.340 0.055 0.000 0.210 62 L C 2.439 179.383 176.870 0.124 0.000 1.076 62 L CA 2.539 57.445 54.840 0.110 0.000 0.749 62 L CB -0.834 41.270 42.059 0.074 0.000 0.893 62 L HN 0.270 nan 8.230 nan 0.000 0.432 63 S N -0.246 115.501 115.700 0.078 0.000 2.351 63 S HA -0.161 4.343 4.470 0.055 0.000 0.220 63 S C 1.843 176.481 174.600 0.063 0.000 1.035 63 S CA 1.405 59.640 58.200 0.057 0.000 1.031 63 S CB -1.018 62.204 63.200 0.036 0.000 0.928 63 S HN 0.724 nan 8.310 nan 0.000 0.433 64 G N -0.095 108.753 108.800 0.081 0.000 2.443 64 G HA2 -0.207 3.787 3.960 0.055 0.000 0.219 64 G HA3 -0.207 3.787 3.960 0.055 0.000 0.219 64 G C 1.222 176.196 174.900 0.124 0.000 1.131 64 G CA 0.458 45.608 45.100 0.083 0.000 0.775 64 G HN 0.623 nan 8.290 nan 0.000 0.547 65 W N 1.302 122.588 121.300 -0.023 0.000 2.441 65 W HA 0.108 4.801 4.660 0.056 0.000 0.302 65 W C 2.398 178.905 176.519 -0.019 0.000 1.191 65 W CA 1.074 58.403 57.345 -0.027 0.000 1.327 65 W CB -0.068 29.370 29.460 -0.036 0.000 1.128 65 W HN 0.279 nan 8.180 nan 0.000 0.522 66 A N 0.937 123.746 122.820 -0.018 0.000 1.969 66 A HA -0.010 4.343 4.320 0.055 0.000 0.218 66 A C 2.009 179.512 177.584 -0.135 0.000 1.169 66 A CA 1.974 53.947 52.037 -0.106 0.000 0.635 66 A CB -1.103 17.905 19.000 0.013 0.000 0.810 66 A HN 0.293 nan 8.150 nan 0.000 0.445 67 A N -0.579 122.188 122.820 -0.089 0.000 2.208 67 A HA 0.151 4.504 4.320 0.055 0.000 0.209 67 A C 1.118 178.633 177.584 -0.115 0.000 1.161 67 A CA 0.178 52.169 52.037 -0.076 0.000 0.782 67 A CB -0.152 18.828 19.000 -0.033 0.000 0.816 67 A HN 0.499 nan 8.150 nan 0.000 0.477 68 K N 1.032 121.317 120.400 -0.192 0.000 2.276 68 K HA 0.256 4.609 4.320 0.055 0.000 0.259 68 K C 0.656 177.130 176.600 -0.211 0.000 1.001 68 K CA 0.409 56.567 56.287 -0.216 0.000 0.927 68 K CB 0.348 32.642 32.500 -0.344 0.000 0.969 68 K HN 0.414 nan 8.250 nan 0.000 0.490 69 T N -1.536 112.920 114.554 -0.163 0.000 2.856 69 T HA 0.136 4.520 4.350 0.055 0.000 0.306 69 T C 1.307 175.899 174.700 -0.181 0.000 1.062 69 T CA -0.201 61.816 62.100 -0.139 0.000 1.083 69 T CB 1.234 70.046 68.868 -0.094 0.000 0.984 69 T HN 0.570 nan 8.240 nan 0.000 0.542 70 A N 1.299 124.031 122.820 -0.147 0.000 1.902 70 A HA -0.072 4.281 4.320 0.055 0.000 0.217 70 A C 2.344 179.854 177.584 -0.124 0.000 1.181 70 A CA 1.917 53.865 52.037 -0.147 0.000 0.623 70 A CB -0.906 18.022 19.000 -0.120 0.000 0.818 70 A HN 1.008 nan 8.150 nan 0.000 0.443 71 K N -0.103 120.240 120.400 -0.096 0.000 2.057 71 K HA -0.201 4.153 4.320 0.055 0.000 0.207 71 K C 1.850 178.410 176.600 -0.066 0.000 1.049 71 K CA 1.736 57.982 56.287 -0.068 0.000 0.931 71 K CB -0.205 32.265 32.500 -0.050 0.000 0.714 71 K HN 0.626 nan 8.250 nan 0.000 0.440 72 E N 0.130 120.274 120.200 -0.093 0.000 2.051 72 E HA -0.154 4.230 4.350 0.055 0.000 0.192 72 E C 2.255 178.795 176.600 -0.100 0.000 0.991 72 E CA 1.086 57.434 56.400 -0.087 0.000 0.799 72 E CB 0.030 29.664 29.700 -0.111 0.000 0.748 72 E HN 0.281 nan 8.360 nan 0.000 0.449 73 R N 0.321 120.690 120.500 -0.219 0.000 2.096 73 R HA -0.094 4.280 4.340 0.055 0.000 0.235 73 R C 2.348 178.655 176.300 0.012 0.000 1.127 73 R CA 1.050 57.009 56.100 -0.236 0.000 0.968 73 R CB -0.272 29.747 30.300 -0.469 0.000 0.861 73 R HN 0.108 nan 8.270 nan 0.000 0.440 74 A N 0.724 123.534 122.820 -0.017 0.000 1.898 74 A HA -0.066 4.287 4.320 0.055 0.000 0.216 74 A C 2.379 180.002 177.584 0.066 0.000 1.181 74 A CA 1.683 53.736 52.037 0.027 0.000 0.620 74 A CB -1.001 17.984 19.000 -0.025 0.000 0.819 74 A HN 0.457 nan 8.150 nan 0.000 0.442 75 G N 0.105 108.934 108.800 0.050 0.000 2.418 75 G HA2 -0.195 3.798 3.960 0.055 0.000 0.217 75 G HA3 -0.195 3.798 3.960 0.055 0.000 0.217 75 G C 1.515 176.490 174.900 0.126 0.000 1.158 75 G CA 1.170 46.315 45.100 0.075 0.000 0.771 75 G HN 0.479 nan 8.290 nan 0.000 0.545 76 I N 0.287 120.945 120.570 0.148 0.000 2.226 76 I HA -0.111 4.093 4.170 0.055 0.000 0.245 76 I C 2.674 178.950 176.117 0.264 0.000 1.100 76 I CA 0.656 62.078 61.300 0.203 0.000 1.374 76 I CB -0.174 37.989 38.000 0.270 0.000 1.057 76 I HN 0.116 nan 8.210 nan 0.000 0.413 77 L N 0.148 121.548 121.223 0.296 0.000 2.093 77 L HA -0.184 4.189 4.340 0.055 0.000 0.208 77 L C 2.735 179.824 176.870 0.364 0.000 1.085 77 L CA 1.193 56.265 54.840 0.387 0.000 0.755 77 L CB -0.535 41.730 42.059 0.345 0.000 0.904 77 L HN 0.199 nan 8.230 nan 0.000 0.435 78 R N 0.671 121.326 120.500 0.258 0.000 2.096 78 R HA -0.167 4.206 4.340 0.055 0.000 0.235 78 R C 2.248 178.738 176.300 0.316 0.000 1.127 78 R CA 1.313 57.576 56.100 0.272 0.000 0.968 78 R CB 0.016 30.421 30.300 0.174 0.000 0.861 78 R HN 0.271 nan 8.270 nan 0.000 0.440 79 K N -0.649 119.905 120.400 0.257 0.000 2.057 79 K HA -0.211 4.142 4.320 0.055 0.000 0.207 79 K C 1.780 178.561 176.600 0.301 0.000 1.049 79 K CA 1.518 57.941 56.287 0.227 0.000 0.931 79 K CB -0.345 32.261 32.500 0.177 0.000 0.714 79 K HN 0.276 nan 8.250 nan 0.000 0.440 80 W N 1.494 122.877 121.300 0.139 0.000 2.355 80 W HA -0.213 4.479 4.660 0.054 0.000 0.309 80 W C 1.897 178.509 176.519 0.156 0.000 1.206 80 W CA 0.857 58.278 57.345 0.127 0.000 1.284 80 W CB -0.859 28.678 29.460 0.128 0.000 1.145 80 W HN 0.024 nan 8.180 nan 0.000 0.502 81 F N 2.144 122.161 119.950 0.110 0.000 2.065 81 F HA -0.286 4.277 4.527 0.060 0.000 0.298 81 F C 2.102 177.902 175.800 0.000 0.000 1.112 81 F CA 2.690 60.669 58.000 -0.035 0.000 1.212 81 F CB -0.959 38.050 39.000 0.016 0.000 0.975 81 F HN -0.222 nan 8.300 nan 0.000 0.476 82 D N 0.711 121.024 120.400 -0.146 0.000 2.123 82 D HA -0.203 4.471 4.640 0.055 0.000 0.196 82 D C 2.501 178.706 176.300 -0.159 0.000 0.992 82 D CA 1.715 55.568 54.000 -0.245 0.000 0.833 82 D CB -0.624 40.165 40.800 -0.020 0.000 0.954 82 D HN 0.369 nan 8.370 nan 0.000 0.455 83 L N 0.292 121.503 121.223 -0.019 0.000 2.046 83 L HA -0.128 4.245 4.340 0.055 0.000 0.208 83 L C 2.528 179.378 176.870 -0.032 0.000 1.077 83 L CA 0.641 55.494 54.840 0.022 0.000 0.747 83 L CB -0.246 41.896 42.059 0.138 0.000 0.896 83 L HN 0.004 nan 8.230 nan 0.000 0.432 84 I N -0.557 119.959 120.570 -0.090 0.000 2.226 84 I HA -0.310 3.893 4.170 0.055 0.000 0.245 84 I C 2.354 178.382 176.117 -0.149 0.000 1.100 84 I CA 1.037 62.264 61.300 -0.121 0.000 1.374 84 I CB -0.207 37.672 38.000 -0.201 0.000 1.057 84 I HN 0.173 nan 8.210 nan 0.000 0.413 85 I N 0.999 121.405 120.570 -0.272 0.000 2.179 85 I HA -0.256 3.947 4.170 0.055 0.000 0.242 85 I C 2.763 178.793 176.117 -0.145 0.000 1.088 85 I CA 1.744 62.887 61.300 -0.261 0.000 1.357 85 I CB -1.533 36.191 38.000 -0.459 0.000 1.051 85 I HN 0.185 nan 8.210 nan 0.000 0.409 86 A N 0.347 123.093 122.820 -0.124 0.000 2.067 86 A HA -0.112 4.241 4.320 0.055 0.000 0.219 86 A C 1.695 179.255 177.584 -0.039 0.000 1.158 86 A CA 1.167 53.163 52.037 -0.067 0.000 0.661 86 A CB -0.489 18.483 19.000 -0.047 0.000 0.801 86 A HN 0.492 nan 8.150 nan 0.000 0.452 87 N N -0.512 118.167 118.700 -0.035 0.000 2.275 87 N HA 0.265 5.038 4.740 0.055 0.000 0.236 87 N C 1.328 176.831 175.510 -0.013 0.000 1.154 87 N CA 0.670 53.711 53.050 -0.014 0.000 0.866 87 N CB 0.542 39.032 38.487 0.004 0.000 1.093 87 N HN 0.411 nan 8.380 nan 0.000 0.515 88 A N 1.159 123.964 122.820 -0.025 0.000 1.948 88 A HA -0.193 4.161 4.320 0.055 0.000 0.220 88 A C 1.793 179.377 177.584 0.001 0.000 1.177 88 A CA 1.477 53.506 52.037 -0.014 0.000 0.636 88 A CB -0.101 18.887 19.000 -0.020 0.000 0.815 88 A HN 0.108 nan 8.150 nan 0.000 0.449 89 D N -0.074 120.325 120.400 -0.001 0.000 2.097 89 D HA -0.104 4.569 4.640 0.055 0.000 0.197 89 D C 1.411 177.715 176.300 0.006 0.000 0.984 89 D CA 1.364 55.366 54.000 0.004 0.000 0.826 89 D CB -0.446 40.355 40.800 0.001 0.000 0.973 89 D HN 0.354 nan 8.370 nan 0.000 0.460 90 D N 0.521 120.924 120.400 0.004 0.000 2.104 90 D HA -0.096 4.577 4.640 0.055 0.000 0.194 90 D C 2.290 178.598 176.300 0.013 0.000 0.994 90 D CA 0.496 54.499 54.000 0.006 0.000 0.830 90 D CB -0.327 40.475 40.800 0.004 0.000 0.959 90 D HN 0.247 nan 8.370 nan 0.000 0.452 91 I N 0.960 121.540 120.570 0.017 0.000 2.226 91 I HA -0.267 3.937 4.170 0.055 0.000 0.245 91 I C 2.429 178.564 176.117 0.029 0.000 1.100 91 I CA 1.079 62.396 61.300 0.027 0.000 1.374 91 I CB -0.248 37.770 38.000 0.030 0.000 1.057 91 I HN -0.069 nan 8.210 nan 0.000 0.413 92 A N 0.621 123.456 122.820 0.026 0.000 1.933 92 A HA -0.213 4.140 4.320 0.055 0.000 0.218 92 A C 2.256 179.853 177.584 0.022 0.000 1.175 92 A CA 1.642 53.695 52.037 0.027 0.000 0.628 92 A CB -0.693 18.321 19.000 0.024 0.000 0.814 92 A HN 0.412 nan 8.150 nan 0.000 0.444 93 L N -0.312 120.921 121.223 0.017 0.000 2.109 93 L HA 0.018 4.392 4.340 0.055 0.000 0.207 93 L C 2.159 179.038 176.870 0.016 0.000 1.086 93 L CA 1.437 56.285 54.840 0.014 0.000 0.760 93 L CB -0.387 41.678 42.059 0.010 0.000 0.910 93 L HN 0.407 nan 8.230 nan 0.000 0.437 94 I N -0.794 119.786 120.570 0.018 0.000 2.163 94 I HA -0.356 3.847 4.170 0.055 0.000 0.243 94 I C 2.602 178.734 176.117 0.025 0.000 1.085 94 I CA 2.086 63.398 61.300 0.020 0.000 1.347 94 I CB -0.293 37.722 38.000 0.025 0.000 1.044 94 I HN 0.415 nan 8.210 nan 0.000 0.408 95 M N 0.158 119.775 119.600 0.029 0.000 2.086 95 M HA -0.214 4.299 4.480 0.055 0.000 0.261 95 M C 2.341 178.652 176.300 0.019 0.000 1.067 95 M CA 2.014 57.333 55.300 0.031 0.000 1.116 95 M CB -0.236 32.386 32.600 0.036 0.000 1.348 95 M HN 0.132 nan 8.290 nan 0.000 0.407 96 T N 0.569 115.132 114.554 0.015 0.000 2.759 96 T HA -0.120 4.264 4.350 0.055 0.000 0.269 96 T C 1.816 176.520 174.700 0.007 0.000 1.042 96 T CA 1.807 63.913 62.100 0.010 0.000 1.140 96 T CB -0.212 68.665 68.868 0.015 0.000 0.864 96 T HN 0.490 nan 8.240 nan 0.000 0.455 97 S N 1.410 117.116 115.700 0.010 0.000 2.348 97 S HA -0.142 4.362 4.470 0.055 0.000 0.221 97 S C 2.168 176.767 174.600 -0.002 0.000 1.033 97 S CA 1.530 59.734 58.200 0.006 0.000 1.010 97 S CB -0.254 62.951 63.200 0.008 0.000 0.891 97 S HN 0.830 nan 8.310 nan 0.000 0.442 98 E N 0.263 120.465 120.200 0.004 0.000 2.250 98 E HA 0.022 4.405 4.350 0.055 0.000 0.192 98 E C 2.055 178.648 176.600 -0.013 0.000 0.986 98 E CA 0.481 56.880 56.400 -0.002 0.000 0.849 98 E CB -0.117 29.593 29.700 0.017 0.000 0.797 98 E HN 0.305 nan 8.360 nan 0.000 0.482 99 Q N 0.176 119.975 119.800 -0.000 0.000 2.394 99 Q HA 0.070 4.443 4.340 0.055 0.000 0.218 99 Q C 1.238 177.220 176.000 -0.030 0.000 0.907 99 Q CA 1.351 57.157 55.803 0.005 0.000 0.919 99 Q CB 1.110 29.876 28.738 0.047 0.000 1.051 99 Q HN 0.466 nan 8.270 nan 0.000 0.538 100 G N 1.564 110.344 108.800 -0.033 0.000 2.436 100 G HA2 -0.254 3.739 3.960 0.055 0.000 0.204 100 G HA3 -0.254 3.739 3.960 0.055 0.000 0.204 100 G C 0.016 174.906 174.900 -0.017 0.000 1.026 100 G CA 0.074 45.145 45.100 -0.049 0.000 0.658 100 G HN 0.409 nan 8.290 nan 0.000 0.499 101 K N 1.742 122.131 120.400 -0.019 0.000 2.380 101 K HA 0.470 4.823 4.320 0.055 0.000 0.267 101 K C -2.674 173.929 176.600 0.005 0.000 0.990 101 K CA -0.925 55.353 56.287 -0.015 0.000 0.946 101 K CB 0.515 32.983 32.500 -0.054 0.000 0.937 101 K HN 0.177 nan 8.250 nan 0.000 0.491 102 P HA 0.001 nan 4.420 nan 0.000 0.272 102 P C 0.658 177.969 177.300 0.017 0.000 1.223 102 P CA -0.342 62.771 63.100 0.022 0.000 0.784 102 P CB 0.507 32.222 31.700 0.025 0.000 0.923 103 L N 1.393 122.627 121.223 0.018 0.000 2.081 103 L HA -0.297 4.076 4.340 0.055 0.000 0.212 103 L C 2.258 179.140 176.870 0.019 0.000 1.080 103 L CA 2.229 57.080 54.840 0.018 0.000 0.754 103 L CB -0.918 41.151 42.059 0.015 0.000 0.893 103 L HN 0.458 nan 8.230 nan 0.000 0.433 104 A N -0.608 122.222 122.820 0.018 0.000 1.930 104 A HA -0.192 4.161 4.320 0.055 0.000 0.217 104 A C 2.153 179.753 177.584 0.026 0.000 1.175 104 A CA 1.399 53.447 52.037 0.019 0.000 0.627 104 A CB -0.316 18.693 19.000 0.015 0.000 0.815 104 A HN 0.445 nan 8.150 nan 0.000 0.443 105 E N -0.296 119.919 120.200 0.024 0.000 2.072 105 E HA -0.075 4.308 4.350 0.055 0.000 0.191 105 E C 2.365 178.989 176.600 0.040 0.000 0.985 105 E CA 0.813 57.230 56.400 0.029 0.000 0.801 105 E CB -0.243 29.464 29.700 0.012 0.000 0.750 105 E HN 0.608 nan 8.360 nan 0.000 0.452 106 A N 1.599 124.436 122.820 0.028 0.000 1.877 106 A HA -0.200 4.153 4.320 0.055 0.000 0.216 106 A C 2.117 179.735 177.584 0.057 0.000 1.186 106 A CA 1.399 53.457 52.037 0.036 0.000 0.620 106 A CB -0.430 18.585 19.000 0.024 0.000 0.822 106 A HN 0.051 nan 8.150 nan 0.000 0.443 107 R N -0.762 119.765 120.500 0.046 0.000 2.092 107 R HA -0.093 4.281 4.340 0.055 0.000 0.231 107 R C 2.281 178.620 176.300 0.065 0.000 1.119 107 R CA 1.221 57.349 56.100 0.046 0.000 0.970 107 R CB -0.570 29.748 30.300 0.030 0.000 0.864 107 R HN 0.507 nan 8.270 nan 0.000 0.440 108 G N 0.475 109.316 108.800 0.068 0.000 2.440 108 G HA2 -0.313 3.680 3.960 0.055 0.000 0.218 108 G HA3 -0.313 3.680 3.960 0.055 0.000 0.218 108 G C 1.239 176.225 174.900 0.143 0.000 1.154 108 G CA 0.772 45.921 45.100 0.082 0.000 0.767 108 G HN 0.448 nan 8.290 nan 0.000 0.552 109 E N -0.051 120.253 120.200 0.173 0.000 2.072 109 E HA -0.091 4.292 4.350 0.055 0.000 0.191 109 E C 2.659 179.418 176.600 0.264 0.000 0.985 109 E CA 0.931 57.509 56.400 0.296 0.000 0.801 109 E CB -0.043 29.841 29.700 0.306 0.000 0.750 109 E HN 0.264 nan 8.360 nan 0.000 0.452 110 V N 1.059 121.067 119.914 0.158 0.000 2.343 110 V HA -0.264 3.889 4.120 0.055 0.000 0.247 110 V C 2.327 178.487 176.094 0.110 0.000 1.051 110 V CA 1.215 63.579 62.300 0.107 0.000 1.036 110 V CB -0.409 31.448 31.823 0.056 0.000 0.654 110 V HN 0.285 nan 8.190 nan 0.000 0.451 111 L N -1.114 120.182 121.223 0.121 0.000 2.093 111 L HA -0.130 4.244 4.340 0.055 0.000 0.208 111 L C 2.276 179.248 176.870 0.171 0.000 1.085 111 L CA 1.816 56.728 54.840 0.119 0.000 0.755 111 L CB -1.345 40.772 42.059 0.096 0.000 0.904 111 L HN 0.484 nan 8.230 nan 0.000 0.435 112 Y N 0.540 120.874 120.300 0.057 0.000 2.114 112 Y HA -0.256 4.327 4.550 0.055 0.000 0.284 112 Y C 2.422 178.410 175.900 0.147 0.000 1.143 112 Y CA 1.524 59.649 58.100 0.041 0.000 1.135 112 Y CB -0.550 37.943 38.460 0.054 0.000 0.980 112 Y HN 0.099 nan 8.280 nan 0.000 0.499 113 A N 1.091 123.967 122.820 0.094 0.000 1.873 113 A HA -0.246 4.107 4.320 0.055 0.000 0.218 113 A C 2.498 180.124 177.584 0.070 0.000 1.193 113 A CA 2.708 54.775 52.037 0.049 0.000 0.629 113 A CB -1.748 17.286 19.000 0.056 0.000 0.826 113 A HN 0.720 nan 8.150 nan 0.000 0.447 114 A N 0.165 123.029 122.820 0.074 0.000 1.948 114 A HA -0.156 4.197 4.320 0.055 0.000 0.220 114 A C 2.511 180.231 177.584 0.228 0.000 1.177 114 A CA 2.670 54.811 52.037 0.173 0.000 0.636 114 A CB -1.108 18.013 19.000 0.201 0.000 0.815 114 A HN 1.198 nan 8.150 nan 0.000 0.449 115 S N -0.869 114.870 115.700 0.066 0.000 2.399 115 S HA -0.157 4.347 4.470 0.055 0.000 0.231 115 S C 1.691 176.123 174.600 -0.278 0.000 1.022 115 S CA 1.455 59.555 58.200 -0.166 0.000 0.983 115 S CB -0.856 62.184 63.200 -0.267 0.000 0.803 115 S HN 0.410 nan 8.310 nan 0.000 0.480 116 F N 1.739 121.613 119.950 -0.126 0.000 2.171 116 F HA 0.142 4.701 4.527 0.053 0.000 0.300 116 F C 2.202 178.092 175.800 0.150 0.000 1.090 116 F CA 0.821 58.832 58.000 0.018 0.000 1.293 116 F CB -0.529 38.484 39.000 0.021 0.000 1.013 116 F HN 0.193 nan 8.300 nan 0.000 0.486 117 I N -0.198 120.484 120.570 0.187 0.000 2.202 117 I HA -0.256 3.947 4.170 0.055 0.000 0.242 117 I C 2.519 178.635 176.117 -0.001 0.000 1.091 117 I CA 1.504 62.883 61.300 0.132 0.000 1.368 117 I CB -0.530 37.472 38.000 0.003 0.000 1.058 117 I HN 0.161 nan 8.210 nan 0.000 0.410 118 E N 0.999 120.992 120.200 -0.345 0.000 2.038 118 E HA -0.294 4.090 4.350 0.055 0.000 0.195 118 E C 2.204 178.644 176.600 -0.266 0.000 1.000 118 E CA 1.731 57.756 56.400 -0.624 0.000 0.803 118 E CB -0.322 28.619 29.700 -1.265 0.000 0.750 118 E HN 0.616 nan 8.360 nan 0.000 0.448 119 W N 0.258 121.326 121.300 -0.386 0.000 2.358 119 W HA -0.217 4.468 4.660 0.043 0.000 0.303 119 W C 1.300 177.589 176.519 -0.384 0.000 1.208 119 W CA 0.969 58.059 57.345 -0.425 0.000 1.274 119 W CB -0.297 28.807 29.460 -0.593 0.000 1.138 119 W HN 0.130 nan 8.180 nan 0.000 0.515 120 F N 0.868 120.824 119.950 0.010 0.000 2.615 120 F HA 0.080 4.638 4.527 0.051 0.000 0.297 120 F C 2.632 178.368 175.800 -0.107 0.000 1.124 120 F CA 1.300 59.260 58.000 -0.066 0.000 1.451 120 F CB -1.242 37.821 39.000 0.104 0.000 1.103 120 F HN -0.119 nan 8.300 nan 0.000 0.569 121 A N 0.293 123.143 122.820 0.051 0.000 1.908 121 A HA -0.219 4.135 4.320 0.055 0.000 0.218 121 A C 2.126 179.645 177.584 -0.109 0.000 1.181 121 A CA 1.967 54.007 52.037 0.006 0.000 0.627 121 A CB -0.668 18.337 19.000 0.008 0.000 0.818 121 A HN 0.426 nan 8.150 nan 0.000 0.445 122 E N -0.523 119.534 120.200 -0.239 0.000 2.107 122 E HA -0.133 4.251 4.350 0.055 0.000 0.191 122 E C 1.889 178.264 176.600 -0.376 0.000 0.982 122 E CA 0.881 57.089 56.400 -0.321 0.000 0.809 122 E CB -0.110 29.330 29.700 -0.434 0.000 0.756 122 E HN 0.496 nan 8.360 nan 0.000 0.459 123 E N 0.727 120.655 120.200 -0.454 0.000 2.204 123 E HA -0.143 4.240 4.350 0.055 0.000 0.195 123 E C 2.035 178.519 176.600 -0.193 0.000 0.990 123 E CA 0.846 57.036 56.400 -0.351 0.000 0.821 123 E CB -0.163 29.429 29.700 -0.181 0.000 0.750 123 E HN 0.249 nan 8.360 nan 0.000 0.477 124 A N 1.479 124.229 122.820 -0.117 0.000 1.978 124 A HA -0.191 4.162 4.320 0.055 0.000 0.220 124 A C 1.910 179.405 177.584 -0.148 0.000 1.170 124 A CA 1.381 53.364 52.037 -0.090 0.000 0.636 124 A CB -0.269 18.697 19.000 -0.056 0.000 0.810 124 A HN 0.116 nan 8.150 nan 0.000 0.448 125 K N -1.063 119.230 120.400 -0.178 0.000 2.444 125 K HA 0.109 4.463 4.320 0.055 0.000 0.193 125 K C 0.712 177.134 176.600 -0.296 0.000 1.024 125 K CA 0.301 56.480 56.287 -0.181 0.000 1.077 125 K CB 0.197 32.616 32.500 -0.135 0.000 0.833 125 K HN 0.323 nan 8.250 nan 0.000 0.517 126 R N 0.697 120.924 120.500 -0.455 0.000 2.659 126 R HA 0.154 4.527 4.340 0.055 0.000 0.418 126 R C -0.641 175.065 176.300 -0.990 0.000 1.076 126 R CA -0.144 55.391 56.100 -0.942 0.000 1.093 126 R CB 1.165 31.090 30.300 -0.625 0.000 1.400 126 R HN -0.135 nan 8.270 nan 0.000 0.583 127 V N 2.912 122.503 119.914 -0.539 0.000 2.287 127 V HA 0.074 4.227 4.120 0.055 0.000 0.246 127 V C -0.522 175.450 176.094 -0.203 0.000 1.165 127 V CA 0.058 62.195 62.300 -0.273 0.000 1.088 127 V CB -0.681 31.068 31.823 -0.123 0.000 1.242 127 V HN 0.145 nan 8.190 nan 0.000 0.497 128 Y N 2.539 122.845 120.300 0.009 0.000 2.308 128 Y HA 0.649 5.222 4.550 0.039 0.000 0.329 128 Y C 0.990 176.903 175.900 0.021 0.000 1.111 128 Y CA -0.528 57.577 58.100 0.008 0.000 1.179 128 Y CB 1.179 39.642 38.460 0.004 0.000 1.201 128 Y HN 0.568 nan 8.280 nan 0.000 0.483 129 G N 1.483 110.399 108.800 0.194 0.000 2.557 129 G HA2 0.457 4.450 3.960 0.055 0.000 0.302 129 G HA3 0.457 4.450 3.960 0.055 0.000 0.302 129 G C -0.968 173.990 174.900 0.096 0.000 1.311 129 G CA -0.758 44.415 45.100 0.122 0.000 1.030 129 G HN 0.528 nan 8.290 nan 0.000 0.509 130 D N -0.743 119.700 120.400 0.072 0.000 2.419 130 D HA 0.516 5.189 4.640 0.055 0.000 0.234 130 D C -0.175 176.151 176.300 0.042 0.000 1.014 130 D CA -0.173 53.856 54.000 0.048 0.000 0.919 130 D CB 1.957 42.785 40.800 0.046 0.000 1.366 130 D HN 0.520 nan 8.370 nan 0.000 0.490 131 T N -1.924 112.645 114.554 0.025 0.000 2.885 131 T HA 0.788 5.171 4.350 0.055 0.000 0.285 131 T C -0.136 174.577 174.700 0.022 0.000 1.019 131 T CA -0.706 61.410 62.100 0.027 0.000 1.010 131 T CB 0.976 69.851 68.868 0.011 0.000 1.022 131 T HN 0.292 nan 8.240 nan 0.000 0.466 132 I N 2.488 123.076 120.570 0.030 0.000 2.569 132 I HA 0.383 4.586 4.170 0.055 0.000 0.290 132 I C -2.536 173.596 176.117 0.025 0.000 1.088 132 I CA -2.770 58.540 61.300 0.018 0.000 1.047 132 I CB 2.645 40.646 38.000 0.003 0.000 1.237 132 I HN 0.458 nan 8.210 nan 0.000 0.421 133 P HA 0.084 nan 4.420 nan 0.000 0.264 133 P C -0.616 176.702 177.300 0.031 0.000 1.193 133 P CA -0.089 63.025 63.100 0.022 0.000 0.763 133 P CB 0.541 32.249 31.700 0.014 0.000 0.810 134 A N 5.811 128.660 122.820 0.049 0.000 2.363 134 A HA 0.404 4.757 4.320 0.055 0.000 0.270 134 A C -1.228 176.385 177.584 0.048 0.000 1.121 134 A CA -0.930 51.144 52.037 0.062 0.000 0.800 134 A CB -0.325 18.729 19.000 0.090 0.000 1.052 134 A HN 0.424 nan 8.150 nan 0.000 0.493 135 P HA -0.003 nan 4.420 nan 0.000 0.233 135 P C 0.020 177.340 177.300 0.033 0.000 1.167 135 P CA 1.024 64.142 63.100 0.031 0.000 0.770 135 P CB 0.283 31.997 31.700 0.024 0.000 0.837 136 Q N -0.253 119.573 119.800 0.044 0.000 2.342 136 Q HA 0.270 4.643 4.340 0.055 0.000 0.267 136 Q C -0.298 175.731 176.000 0.048 0.000 1.038 136 Q CA -0.890 54.936 55.803 0.038 0.000 0.832 136 Q CB 1.350 30.108 28.738 0.034 0.000 1.323 136 Q HN 0.009 nan 8.270 nan 0.000 0.448 137 N N 0.365 119.086 118.700 0.034 0.000 2.441 137 N HA 0.060 4.833 4.740 0.055 0.000 0.251 137 N C 0.776 176.291 175.510 0.008 0.000 1.242 137 N CA 1.437 54.508 53.050 0.036 0.000 0.898 137 N CB 0.856 39.349 38.487 0.010 0.000 1.100 137 N HN 0.975 nan 8.380 nan 0.000 0.443 138 G N 0.470 109.273 108.800 0.005 0.000 2.176 138 G HA2 -0.259 3.734 3.960 0.055 0.000 0.253 138 G HA3 -0.259 3.734 3.960 0.055 0.000 0.253 138 G C -0.084 174.848 174.900 0.053 0.000 0.979 138 G CA 0.044 45.020 45.100 -0.207 0.000 0.641 138 G HN 0.603 nan 8.290 nan 0.000 0.530 139 Q N -0.707 119.217 119.800 0.207 0.000 2.413 139 Q HA 0.748 5.122 4.340 0.055 0.000 0.276 139 Q C -0.441 175.685 176.000 0.210 0.000 1.099 139 Q CA -1.033 54.898 55.803 0.214 0.000 0.814 139 Q CB 1.678 30.490 28.738 0.124 0.000 1.379 139 Q HN 0.143 nan 8.270 nan 0.000 0.436 140 R N 1.635 122.223 120.500 0.148 0.000 2.575 140 R HA 0.560 4.934 4.340 0.055 0.000 0.293 140 R C -1.274 175.079 176.300 0.089 0.000 0.983 140 R CA -0.557 55.587 56.100 0.075 0.000 0.887 140 R CB 1.285 31.576 30.300 -0.014 0.000 1.184 140 R HN 0.584 nan 8.270 nan 0.000 0.445 141 L N 2.104 123.391 121.223 0.107 0.000 2.313 141 L HA 0.591 4.964 4.340 0.055 0.000 0.283 141 L C -0.035 176.919 176.870 0.140 0.000 1.013 141 L CA -0.577 54.373 54.840 0.184 0.000 0.816 141 L CB 2.180 44.373 42.059 0.224 0.000 1.236 141 L HN 0.462 nan 8.230 nan 0.000 0.419 142 T N 1.876 116.526 114.554 0.159 0.000 2.907 142 T HA 0.630 5.014 4.350 0.055 0.000 0.292 142 T C -0.583 174.216 174.700 0.163 0.000 1.043 142 T CA -0.498 61.671 62.100 0.115 0.000 1.003 142 T CB 2.711 71.616 68.868 0.061 0.000 1.084 142 T HN 0.187 nan 8.240 nan 0.000 0.483 143 V N 3.699 123.685 119.914 0.121 0.000 2.531 143 V HA 0.627 4.780 4.120 0.055 0.000 0.301 143 V C -0.238 175.909 176.094 0.089 0.000 1.034 143 V CA -0.878 61.496 62.300 0.123 0.000 0.865 143 V CB 1.260 33.145 31.823 0.104 0.000 0.995 143 V HN 0.848 nan 8.190 nan 0.000 0.424 144 I N 2.070 122.688 120.570 0.080 0.000 2.957 144 I HA 0.798 5.002 4.170 0.055 0.000 0.310 144 I C -0.564 175.590 176.117 0.061 0.000 1.063 144 I CA -1.100 60.238 61.300 0.063 0.000 1.033 144 I CB 2.392 40.418 38.000 0.044 0.000 1.230 144 I HN 0.440 nan 8.210 nan 0.000 0.447 145 R N 2.935 123.467 120.500 0.052 0.000 2.534 145 R HA 0.580 4.953 4.340 0.055 0.000 0.301 145 R C -1.236 175.085 176.300 0.036 0.000 0.961 145 R CA -0.670 55.460 56.100 0.050 0.000 0.871 145 R CB 2.331 32.663 30.300 0.055 0.000 1.170 145 R HN 0.682 nan 8.270 nan 0.000 0.446 146 Q N 2.271 122.094 119.800 0.038 0.000 2.451 146 Q HA 0.455 4.829 4.340 0.055 0.000 0.281 146 Q C -2.535 173.491 176.000 0.044 0.000 1.099 146 Q CA -2.370 53.452 55.803 0.030 0.000 0.806 146 Q CB 2.985 31.738 28.738 0.025 0.000 1.419 146 Q HN 0.311 nan 8.270 nan 0.000 0.427 147 P HA -0.035 nan 4.420 nan 0.000 0.271 147 P C 0.449 177.792 177.300 0.072 0.000 1.216 147 P CA 0.053 63.198 63.100 0.075 0.000 0.776 147 P CB 0.857 32.606 31.700 0.082 0.000 0.881 148 V N 1.683 121.648 119.914 0.086 0.000 2.407 148 V HA -0.051 4.102 4.120 0.055 0.000 0.248 148 V C 1.636 177.769 176.094 0.065 0.000 1.055 148 V CA 2.641 64.981 62.300 0.065 0.000 1.049 148 V CB -1.539 30.317 31.823 0.056 0.000 0.662 148 V HN 1.067 nan 8.190 nan 0.000 0.455 149 G N -1.204 107.648 108.800 0.087 0.000 2.253 149 G HA2 -0.093 3.901 3.960 0.055 0.000 0.190 149 G HA3 -0.093 3.901 3.960 0.055 0.000 0.190 149 G C -0.602 174.346 174.900 0.080 0.000 1.274 149 G CA -0.292 44.853 45.100 0.076 0.000 1.275 149 G HN 0.182 nan 8.290 nan 0.000 0.518 150 V N 2.332 122.279 119.914 0.055 0.000 2.572 150 V HA 0.546 4.699 4.120 0.055 0.000 0.291 150 V C 1.028 177.154 176.094 0.055 0.000 1.039 150 V CA 1.017 63.342 62.300 0.043 0.000 1.055 150 V CB 0.552 32.388 31.823 0.021 0.000 0.969 150 V HN 1.437 nan 8.190 nan 0.000 0.482 151 T N 2.227 116.819 114.554 0.063 0.000 2.906 151 T HA 0.877 5.260 4.350 0.055 0.000 0.295 151 T C -0.674 174.068 174.700 0.070 0.000 1.075 151 T CA -0.447 61.710 62.100 0.094 0.000 1.005 151 T CB 2.192 71.180 68.868 0.200 0.000 1.136 151 T HN 1.058 nan 8.240 nan 0.000 0.498 152 A N 0.693 123.563 122.820 0.084 0.000 2.414 152 A HA 0.957 5.310 4.320 0.055 0.000 0.306 152 A C -0.433 177.209 177.584 0.096 0.000 1.054 152 A CA -0.739 51.339 52.037 0.068 0.000 0.724 152 A CB 1.375 20.407 19.000 0.053 0.000 1.267 152 A HN 1.680 nan 8.150 nan 0.000 0.418 153 A N 1.676 124.548 122.820 0.086 0.000 2.386 153 A HA 0.816 5.170 4.320 0.055 0.000 0.311 153 A C -0.986 176.661 177.584 0.105 0.000 1.068 153 A CA -0.376 51.721 52.037 0.100 0.000 0.743 153 A CB 0.795 19.840 19.000 0.075 0.000 1.258 153 A HN 0.775 nan 8.150 nan 0.000 0.429 154 I N 2.109 122.766 120.570 0.146 0.000 2.447 154 I HA 0.483 4.686 4.170 0.055 0.000 0.287 154 I C -0.009 176.146 176.117 0.063 0.000 1.023 154 I CA -0.312 61.094 61.300 0.177 0.000 1.083 154 I CB 2.554 40.760 38.000 0.344 0.000 1.245 154 I HN 0.763 nan 8.210 nan 0.000 0.434 155 T N 3.672 118.237 114.554 0.018 0.000 2.893 155 T HA 0.695 5.078 4.350 0.055 0.000 0.291 155 T C -2.804 171.858 174.700 -0.064 0.000 1.028 155 T CA -2.044 60.014 62.100 -0.071 0.000 0.995 155 T CB 2.404 71.260 68.868 -0.020 0.000 1.051 155 T HN 0.225 nan 8.240 nan 0.000 0.470 156 P HA 0.294 nan 4.420 nan 0.000 0.284 156 P C 0.792 178.041 177.300 -0.085 0.000 1.292 156 P CA -0.868 62.123 63.100 -0.182 0.000 0.800 156 P CB 0.957 32.430 31.700 -0.378 0.000 1.188 157 W N 0.913 122.238 121.300 0.042 0.000 2.863 157 W HA 0.008 4.703 4.660 0.057 0.000 0.258 157 W C 0.851 177.380 176.519 0.017 0.000 1.298 157 W CA 0.547 57.911 57.345 0.032 0.000 1.451 157 W CB -1.608 27.865 29.460 0.022 0.000 1.107 157 W HN 0.246 nan 8.180 nan 0.000 0.641 158 N N 1.413 119.886 118.700 -0.379 0.000 2.354 158 N HA -0.136 4.637 4.740 0.055 0.000 0.179 158 N C -0.240 175.042 175.510 -0.379 0.000 1.021 158 N CA 0.600 53.472 53.050 -0.296 0.000 0.887 158 N CB -1.071 37.105 38.487 -0.518 0.000 0.974 158 N HN 0.058 nan 8.380 nan 0.000 0.437 159 F N 0.170 120.096 119.950 -0.041 0.000 2.622 159 F HA 0.429 4.990 4.527 0.058 0.000 0.338 159 F C -1.829 173.986 175.800 0.026 0.000 1.334 159 F CA -2.116 55.894 58.000 0.017 0.000 1.179 159 F CB 2.025 41.035 39.000 0.017 0.000 1.471 159 F HN -0.128 nan 8.300 nan 0.000 0.576 160 P HA -0.134 nan 4.420 nan 0.000 0.223 160 P C 1.128 178.494 177.300 0.110 0.000 1.144 160 P CA 1.195 64.363 63.100 0.113 0.000 0.783 160 P CB 0.391 32.153 31.700 0.104 0.000 0.771 161 A N -0.338 122.559 122.820 0.128 0.000 1.938 161 A HA 0.411 4.764 4.320 0.055 0.000 0.207 161 A C 2.259 179.885 177.584 0.070 0.000 1.292 161 A CA 0.901 52.998 52.037 0.099 0.000 0.700 161 A CB -1.139 17.921 19.000 0.099 0.000 0.947 161 A HN 0.122 nan 8.150 nan 0.000 0.476 162 A N -0.544 122.351 122.820 0.125 0.000 1.930 162 A HA -0.031 4.322 4.320 0.055 0.000 0.217 162 A C 2.083 179.585 177.584 -0.138 0.000 1.175 162 A CA 1.795 53.833 52.037 0.002 0.000 0.627 162 A CB -0.497 18.599 19.000 0.160 0.000 0.815 162 A HN 0.379 nan 8.150 nan 0.000 0.443 163 M N -0.351 119.231 119.600 -0.031 0.000 2.279 163 M HA -0.035 4.479 4.480 0.055 0.000 0.264 163 M C 2.010 178.248 176.300 -0.103 0.000 1.062 163 M CA 1.067 56.305 55.300 -0.103 0.000 1.099 163 M CB -1.255 31.314 32.600 -0.052 0.000 1.394 163 M HN 0.425 nan 8.290 nan 0.000 0.426 164 I N 0.127 120.671 120.570 -0.044 0.000 2.163 164 I HA -0.277 3.926 4.170 0.055 0.000 0.240 164 I C 2.537 178.632 176.117 -0.037 0.000 1.081 164 I CA 1.898 63.193 61.300 -0.009 0.000 1.353 164 I CB -0.703 37.331 38.000 0.057 0.000 1.054 164 I HN 0.364 nan 8.210 nan 0.000 0.407 165 T N -1.273 113.229 114.554 -0.085 0.000 2.867 165 T HA -0.142 4.241 4.350 0.055 0.000 0.268 165 T C 1.979 176.572 174.700 -0.179 0.000 1.057 165 T CA 0.801 62.840 62.100 -0.102 0.000 1.136 165 T CB -0.432 68.360 68.868 -0.127 0.000 0.874 165 T HN 0.235 nan 8.240 nan 0.000 0.466 166 R N 1.131 121.360 120.500 -0.452 0.000 2.200 166 R HA 0.015 4.388 4.340 0.055 0.000 0.234 166 R C 2.422 178.563 176.300 -0.266 0.000 1.127 166 R CA 1.417 57.148 56.100 -0.616 0.000 0.989 166 R CB -0.085 29.723 30.300 -0.821 0.000 0.869 166 R HN 0.506 nan 8.270 nan 0.000 0.459 167 K N -1.016 119.278 120.400 -0.176 0.000 2.240 167 K HA 0.179 4.533 4.320 0.055 0.000 0.202 167 K C 1.979 178.430 176.600 -0.249 0.000 1.053 167 K CA 0.672 56.888 56.287 -0.118 0.000 0.973 167 K CB 0.170 32.672 32.500 0.003 0.000 0.924 167 K HN 0.025 nan 8.250 nan 0.000 0.477 168 A N 1.706 124.462 122.820 -0.105 0.000 1.929 168 A HA 0.006 4.359 4.320 0.055 0.000 0.216 168 A C 2.334 179.902 177.584 -0.026 0.000 1.176 168 A CA 1.604 53.618 52.037 -0.037 0.000 0.628 168 A CB -0.613 18.483 19.000 0.160 0.000 0.816 168 A HN 0.284 nan 8.150 nan 0.000 0.444 169 A N 0.679 123.506 122.820 0.012 0.000 1.851 169 A HA -0.069 4.284 4.320 0.055 0.000 0.216 169 A C 0.423 177.904 177.584 -0.171 0.000 1.195 169 A CA 1.842 53.933 52.037 0.090 0.000 0.622 169 A CB -1.587 17.584 19.000 0.285 0.000 0.831 169 A HN 0.489 nan 8.150 nan 0.000 0.444 170 P HA -0.088 nan 4.420 nan 0.000 0.217 170 P C 1.639 178.568 177.300 -0.617 0.000 1.151 170 P CA 1.894 64.439 63.100 -0.924 0.000 0.828 170 P CB -0.192 30.772 31.700 -1.227 0.000 0.788 171 A N 0.221 122.480 122.820 -0.936 0.000 1.851 171 A HA -0.182 4.171 4.320 0.055 0.000 0.216 171 A C 2.263 179.770 177.584 -0.128 0.000 1.195 171 A CA 1.783 53.419 52.037 -0.668 0.000 0.622 171 A CB -1.686 16.937 19.000 -0.630 0.000 0.831 171 A HN 0.084 nan 8.150 nan 0.000 0.444 172 L N -0.428 120.772 121.223 -0.038 0.000 2.093 172 L HA -0.089 4.284 4.340 0.055 0.000 0.208 172 L C 3.002 180.101 176.870 0.381 0.000 1.085 172 L CA 1.807 56.806 54.840 0.265 0.000 0.755 172 L CB -0.911 41.241 42.059 0.156 0.000 0.904 172 L HN 0.413 nan 8.230 nan 0.000 0.435 173 A N -0.555 122.367 122.820 0.170 0.000 1.908 173 A HA -0.197 4.156 4.320 0.055 0.000 0.218 173 A C 2.400 180.009 177.584 0.042 0.000 1.181 173 A CA 1.832 53.936 52.037 0.112 0.000 0.627 173 A CB -0.957 18.109 19.000 0.111 0.000 0.818 173 A HN 0.385 nan 8.150 nan 0.000 0.445 174 A N -2.056 120.787 122.820 0.037 0.000 2.172 174 A HA 0.349 4.702 4.320 0.055 0.000 0.216 174 A C 1.889 179.492 177.584 0.033 0.000 1.154 174 A CA 1.486 53.547 52.037 0.039 0.000 0.701 174 A CB -0.942 18.110 19.000 0.088 0.000 0.789 174 A HN 2.021 nan 8.150 nan 0.000 0.465 175 G N -2.605 106.236 108.800 0.068 0.000 2.144 175 G HA2 -0.221 3.773 3.960 0.055 0.000 0.218 175 G HA3 -0.221 3.773 3.960 0.055 0.000 0.218 175 G C 0.164 175.225 174.900 0.267 0.000 0.988 175 G CA -0.055 45.058 45.100 0.021 0.000 0.659 175 G HN 0.605 nan 8.290 nan 0.000 0.522 176 C N 0.993 120.462 119.300 0.283 0.000 2.347 176 C HA 0.878 5.372 4.460 0.055 0.000 0.366 176 C C 1.259 176.358 174.990 0.181 0.000 1.241 176 C CA 0.340 59.492 59.018 0.223 0.000 2.360 176 C CB 1.022 28.861 27.740 0.165 0.000 2.290 176 C HN 0.846 nan 8.230 nan 0.000 0.587 177 T N -0.259 114.332 114.554 0.061 0.000 2.944 177 T HA 0.709 5.092 4.350 0.055 0.000 0.284 177 T C -0.747 173.916 174.700 -0.062 0.000 1.010 177 T CA -0.608 61.441 62.100 -0.085 0.000 1.025 177 T CB 1.364 70.180 68.868 -0.087 0.000 1.079 177 T HN 0.766 nan 8.240 nan 0.000 0.516 178 M N 1.762 121.292 119.600 -0.116 0.000 2.371 178 M HA 0.579 5.092 4.480 0.055 0.000 0.287 178 M C -2.165 174.088 176.300 -0.078 0.000 1.149 178 M CA -0.868 54.392 55.300 -0.065 0.000 0.929 178 M CB 1.788 34.350 32.600 -0.064 0.000 1.683 178 M HN 0.684 nan 8.290 nan 0.000 0.470 179 I N 4.707 125.255 120.570 -0.037 0.000 2.378 179 I HA 0.512 4.715 4.170 0.055 0.000 0.291 179 I C -0.943 175.172 176.117 -0.002 0.000 0.992 179 I CA -1.030 60.249 61.300 -0.035 0.000 1.154 179 I CB 1.828 39.813 38.000 -0.026 0.000 1.315 179 I HN 0.366 nan 8.210 nan 0.000 0.448 180 V N 6.632 126.545 119.914 -0.002 0.000 2.459 180 V HA 0.455 4.608 4.120 0.055 0.000 0.295 180 V C 0.043 176.158 176.094 0.035 0.000 1.029 180 V CA -0.735 61.581 62.300 0.027 0.000 0.874 180 V CB 1.900 33.744 31.823 0.035 0.000 0.985 180 V HN 0.681 nan 8.190 nan 0.000 0.438 181 R N 6.567 127.099 120.500 0.054 0.000 2.275 181 R HA 0.435 4.808 4.340 0.055 0.000 0.326 181 R C -2.714 173.632 176.300 0.077 0.000 0.973 181 R CA -1.736 54.402 56.100 0.063 0.000 0.854 181 R CB 2.073 32.414 30.300 0.068 0.000 1.156 181 R HN 0.480 nan 8.270 nan 0.000 0.487 182 P HA 0.134 nan 4.420 nan 0.000 0.276 182 P C -0.691 176.671 177.300 0.104 0.000 1.244 182 P CA -0.358 62.794 63.100 0.088 0.000 0.801 182 P CB 0.989 32.744 31.700 0.092 0.000 1.006 183 A N 1.818 124.713 122.820 0.125 0.000 2.483 183 A HA 0.020 4.373 4.320 0.055 0.000 0.238 183 A C 1.261 178.929 177.584 0.141 0.000 1.070 183 A CA 0.081 52.216 52.037 0.164 0.000 0.770 183 A CB -0.539 18.615 19.000 0.256 0.000 1.008 183 A HN 0.527 nan 8.150 nan 0.000 0.497 184 D N 1.278 121.751 120.400 0.121 0.000 2.149 184 D HA -0.139 4.534 4.640 0.055 0.000 0.198 184 D C 1.707 178.044 176.300 0.062 0.000 0.990 184 D CA 1.429 55.477 54.000 0.079 0.000 0.839 184 D CB -0.114 40.721 40.800 0.058 0.000 0.948 184 D HN 0.581 nan 8.370 nan 0.000 0.460 185 L N -0.052 121.210 121.223 0.065 0.000 2.291 185 L HA -0.038 4.335 4.340 0.055 0.000 0.214 185 L C 1.047 177.945 176.870 0.047 0.000 1.120 185 L CA 1.085 55.928 54.840 0.004 0.000 0.799 185 L CB -0.090 41.897 42.059 -0.121 0.000 0.925 185 L HN 0.066 nan 8.230 nan 0.000 0.446 186 T N -4.893 109.729 114.554 0.112 0.000 3.734 186 T HA 0.277 4.661 4.350 0.055 0.000 0.238 186 T C -2.123 172.640 174.700 0.105 0.000 1.205 186 T CA -1.017 61.150 62.100 0.112 0.000 1.606 186 T CB 0.784 69.750 68.868 0.163 0.000 0.832 186 T HN -0.089 nan 8.240 nan 0.000 0.655 187 P HA 0.250 nan 4.420 nan 0.000 0.245 187 P C 1.550 178.905 177.300 0.091 0.000 1.199 187 P CA -0.123 63.032 63.100 0.091 0.000 0.807 187 P CB 0.368 32.118 31.700 0.083 0.000 1.002 188 L N -0.304 120.964 121.223 0.076 0.000 2.093 188 L HA -0.096 4.277 4.340 0.055 0.000 0.208 188 L C 2.472 179.389 176.870 0.078 0.000 1.085 188 L CA 1.728 56.609 54.840 0.069 0.000 0.755 188 L CB -1.727 40.359 42.059 0.045 0.000 0.904 188 L HN -0.011 nan 8.230 nan 0.000 0.435 189 T N 0.192 114.794 114.554 0.079 0.000 2.720 189 T HA -0.201 4.182 4.350 0.055 0.000 0.268 189 T C 2.046 176.812 174.700 0.111 0.000 1.037 189 T CA 1.438 63.589 62.100 0.086 0.000 1.144 189 T CB -0.234 68.683 68.868 0.083 0.000 0.864 189 T HN 0.459 nan 8.240 nan 0.000 0.444 190 A N 1.171 124.062 122.820 0.118 0.000 1.902 190 A HA 0.014 4.367 4.320 0.055 0.000 0.217 190 A C 2.302 179.993 177.584 0.178 0.000 1.181 190 A CA 1.188 53.309 52.037 0.140 0.000 0.623 190 A CB -0.807 18.266 19.000 0.122 0.000 0.818 190 A HN 0.488 nan 8.150 nan 0.000 0.443 191 L N -0.892 120.437 121.223 0.177 0.000 2.093 191 L HA -0.169 4.204 4.340 0.055 0.000 0.208 191 L C 3.083 180.099 176.870 0.244 0.000 1.085 191 L CA 0.963 55.955 54.840 0.253 0.000 0.755 191 L CB -0.586 41.611 42.059 0.229 0.000 0.904 191 L HN 0.436 nan 8.230 nan 0.000 0.435 192 A N 0.344 123.255 122.820 0.152 0.000 1.902 192 A HA -0.157 4.196 4.320 0.055 0.000 0.217 192 A C 2.249 179.951 177.584 0.195 0.000 1.181 192 A CA 1.341 53.452 52.037 0.123 0.000 0.623 192 A CB -0.719 18.328 19.000 0.078 0.000 0.818 192 A HN 0.354 nan 8.150 nan 0.000 0.443 193 L N -0.655 120.705 121.223 0.228 0.000 2.127 193 L HA -0.161 4.212 4.340 0.055 0.000 0.211 193 L C 2.745 179.890 176.870 0.459 0.000 1.089 193 L CA 1.030 56.081 54.840 0.351 0.000 0.757 193 L CB -0.786 41.463 42.059 0.317 0.000 0.899 193 L HN 0.519 nan 8.230 nan 0.000 0.434 194 G N -0.500 108.505 108.800 0.342 0.000 2.408 194 G HA2 -0.159 3.834 3.960 0.055 0.000 0.217 194 G HA3 -0.159 3.834 3.960 0.055 0.000 0.217 194 G C 1.608 176.720 174.900 0.353 0.000 1.150 194 G CA 0.682 45.951 45.100 0.281 0.000 0.776 194 G HN 0.174 nan 8.290 nan 0.000 0.542 195 V N 1.067 121.231 119.914 0.417 0.000 2.287 195 V HA -0.172 3.981 4.120 0.055 0.000 0.248 195 V C 2.884 179.108 176.094 0.218 0.000 1.053 195 V CA 1.629 64.111 62.300 0.304 0.000 1.027 195 V CB -0.415 31.456 31.823 0.081 0.000 0.646 195 V HN 0.354 nan 8.190 nan 0.000 0.447 196 L N -0.309 121.065 121.223 0.251 0.000 2.179 196 L HA -0.032 4.341 4.340 0.055 0.000 0.208 196 L C 2.709 179.708 176.870 0.215 0.000 1.096 196 L CA 1.069 56.080 54.840 0.284 0.000 0.779 196 L CB -0.808 41.474 42.059 0.372 0.000 0.922 196 L HN 0.340 nan 8.230 nan 0.000 0.443 197 A N 0.570 123.374 122.820 -0.027 0.000 1.865 197 A HA -0.291 4.062 4.320 0.055 0.000 0.217 197 A C 2.284 179.666 177.584 -0.337 0.000 1.191 197 A CA 2.119 53.721 52.037 -0.725 0.000 0.623 197 A CB -0.589 17.916 19.000 -0.824 0.000 0.826 197 A HN 0.508 nan 8.150 nan 0.000 0.444 198 E N -0.255 119.868 120.200 -0.128 0.000 2.051 198 E HA -0.266 4.118 4.350 0.055 0.000 0.192 198 E C 2.065 178.662 176.600 -0.005 0.000 0.991 198 E CA 1.630 57.999 56.400 -0.052 0.000 0.799 198 E CB -0.193 29.547 29.700 0.067 0.000 0.748 198 E HN 0.590 nan 8.360 nan 0.000 0.449 199 K N -0.170 120.257 120.400 0.046 0.000 2.147 199 K HA -0.096 4.257 4.320 0.055 0.000 0.205 199 K C 1.914 178.548 176.600 0.056 0.000 1.049 199 K CA 1.012 57.335 56.287 0.060 0.000 0.936 199 K CB -0.145 32.406 32.500 0.085 0.000 0.722 199 K HN 0.225 nan 8.250 nan 0.000 0.446 200 A N -0.057 122.792 122.820 0.048 0.000 2.121 200 A HA 0.065 4.418 4.320 0.055 0.000 0.218 200 A C 1.385 178.993 177.584 0.040 0.000 1.154 200 A CA 1.242 53.323 52.037 0.072 0.000 0.679 200 A CB -0.454 18.606 19.000 0.100 0.000 0.795 200 A HN 0.522 nan 8.150 nan 0.000 0.458 201 G N -1.411 107.385 108.800 -0.006 0.000 2.134 201 G HA2 -0.181 3.813 3.960 0.055 0.000 0.209 201 G HA3 -0.181 3.813 3.960 0.055 0.000 0.209 201 G C 0.054 174.937 174.900 -0.028 0.000 0.993 201 G CA -0.003 45.100 45.100 0.005 0.000 0.669 201 G HN 0.424 nan 8.290 nan 0.000 0.519 202 I N 2.564 123.043 120.570 -0.153 0.000 2.436 202 I HA 0.211 4.415 4.170 0.055 0.000 0.289 202 I C -1.363 174.583 176.117 -0.284 0.000 1.083 202 I CA -1.729 59.383 61.300 -0.313 0.000 1.372 202 I CB 0.835 38.509 38.000 -0.544 0.000 1.408 202 I HN -0.045 nan 8.210 nan 0.000 0.516 203 P HA 0.114 nan 4.420 nan 0.000 0.274 203 P C -0.551 176.630 177.300 -0.200 0.000 1.246 203 P CA -0.544 62.471 63.100 -0.141 0.000 0.795 203 P CB 0.524 32.205 31.700 -0.032 0.000 1.006 204 A N 1.399 124.135 122.820 -0.140 0.000 2.583 204 A HA 0.325 4.678 4.320 0.055 0.000 0.249 204 A C 1.563 179.048 177.584 -0.164 0.000 1.035 204 A CA 1.008 52.955 52.037 -0.149 0.000 0.777 204 A CB -1.796 17.145 19.000 -0.098 0.000 0.942 204 A HN 0.917 nan 8.150 nan 0.000 0.516 205 G N 1.189 109.870 108.800 -0.199 0.000 2.225 205 G HA2 -0.281 3.712 3.960 0.055 0.000 0.254 205 G HA3 -0.281 3.712 3.960 0.055 0.000 0.254 205 G C 0.959 175.721 174.900 -0.229 0.000 0.988 205 G CA 0.630 45.621 45.100 -0.183 0.000 0.625 205 G HN 1.270 nan 8.290 nan 0.000 0.527 206 V N -0.183 119.531 119.914 -0.333 0.000 2.379 206 V HA 0.288 4.441 4.120 0.055 0.000 0.245 206 V C 1.208 177.036 176.094 -0.442 0.000 1.044 206 V CA 1.982 63.986 62.300 -0.494 0.000 1.036 206 V CB -0.062 31.209 31.823 -0.921 0.000 0.664 206 V HN 0.468 nan 8.190 nan 0.000 0.453 207 L N 0.294 121.270 121.223 -0.413 0.000 2.362 207 L HA 0.569 4.942 4.340 0.055 0.000 0.275 207 L C -0.761 175.947 176.870 -0.270 0.000 0.998 207 L CA 0.034 54.675 54.840 -0.332 0.000 0.820 207 L CB 1.846 43.659 42.059 -0.410 0.000 1.270 207 L HN 0.206 nan 8.230 nan 0.000 0.415 208 Q N 5.034 124.715 119.800 -0.199 0.000 2.359 208 Q HA 0.625 4.998 4.340 0.055 0.000 0.274 208 Q C -1.515 174.412 176.000 -0.122 0.000 1.074 208 Q CA -0.546 55.146 55.803 -0.185 0.000 0.810 208 Q CB 3.030 31.674 28.738 -0.157 0.000 1.342 208 Q HN 0.581 nan 8.270 nan 0.000 0.427 209 I N 2.606 123.102 120.570 -0.124 0.000 2.410 209 I HA 0.422 4.625 4.170 0.055 0.000 0.286 209 I C -0.535 175.564 176.117 -0.031 0.000 1.009 209 I CA -1.065 60.208 61.300 -0.044 0.000 1.111 209 I CB 1.561 39.563 38.000 0.004 0.000 1.262 209 I HN 0.298 nan 8.210 nan 0.000 0.443 210 V N 2.276 122.189 119.914 -0.003 0.000 2.604 210 V HA 0.838 4.992 4.120 0.055 0.000 0.305 210 V C -0.061 176.053 176.094 0.034 0.000 1.043 210 V CA -0.343 61.962 62.300 0.007 0.000 0.888 210 V CB 1.547 33.368 31.823 -0.003 0.000 0.995 210 V HN 0.772 nan 8.190 nan 0.000 0.429 211 T N 0.838 115.417 114.554 0.041 0.000 2.863 211 T HA 1.005 5.389 4.350 0.055 0.000 0.285 211 T C 0.154 174.879 174.700 0.042 0.000 1.009 211 T CA -0.043 62.087 62.100 0.051 0.000 0.989 211 T CB 1.465 70.370 68.868 0.061 0.000 1.004 211 T HN 2.182 nan 8.240 nan 0.000 0.455 212 G N 1.357 110.184 108.800 0.044 0.000 2.345 212 G HA2 0.306 4.299 3.960 0.055 0.000 0.285 212 G HA3 0.306 4.299 3.960 0.055 0.000 0.285 212 G C -1.722 173.202 174.900 0.040 0.000 1.297 212 G CA -1.220 43.902 45.100 0.037 0.000 0.875 212 G HN 0.809 nan 8.290 nan 0.000 0.506 213 K N 0.664 121.084 120.400 0.033 0.000 2.412 213 K HA 0.468 4.821 4.320 0.055 0.000 0.281 213 K C 1.438 178.061 176.600 0.038 0.000 1.027 213 K CA 0.339 56.646 56.287 0.033 0.000 0.989 213 K CB 1.572 34.086 32.500 0.024 0.000 0.935 213 K HN 0.699 nan 8.250 nan 0.000 0.475 214 A N 4.029 126.878 122.820 0.048 0.000 1.865 214 A HA -0.226 4.127 4.320 0.055 0.000 0.217 214 A C 2.206 179.812 177.584 0.036 0.000 1.191 214 A CA 1.694 53.766 52.037 0.058 0.000 0.623 214 A CB -0.358 18.689 19.000 0.078 0.000 0.826 214 A HN 0.875 nan 8.150 nan 0.000 0.444 215 R N -0.537 119.978 120.500 0.024 0.000 2.070 215 R HA -0.172 4.201 4.340 0.055 0.000 0.233 215 R C 2.089 178.392 176.300 0.005 0.000 1.137 215 R CA 1.893 57.998 56.100 0.008 0.000 0.945 215 R CB -0.253 30.050 30.300 0.006 0.000 0.845 215 R HN 0.510 nan 8.270 nan 0.000 0.430 216 E N 0.446 120.652 120.200 0.010 0.000 2.051 216 E HA -0.150 4.234 4.350 0.055 0.000 0.192 216 E C 1.897 178.503 176.600 0.009 0.000 0.991 216 E CA 1.446 57.850 56.400 0.007 0.000 0.799 216 E CB -0.136 29.569 29.700 0.009 0.000 0.748 216 E HN 0.404 nan 8.360 nan 0.000 0.449 217 I N 0.194 120.773 120.570 0.016 0.000 2.252 217 I HA -0.165 4.038 4.170 0.055 0.000 0.245 217 I C 2.329 178.455 176.117 0.016 0.000 1.102 217 I CA 1.213 62.523 61.300 0.018 0.000 1.385 217 I CB -0.546 37.470 38.000 0.027 0.000 1.064 217 I HN 0.197 nan 8.210 nan 0.000 0.414 218 G N 0.508 109.317 108.800 0.015 0.000 2.422 218 G HA2 -0.226 3.768 3.960 0.055 0.000 0.218 218 G HA3 -0.226 3.768 3.960 0.055 0.000 0.218 218 G C 1.839 176.732 174.900 -0.011 0.000 1.146 218 G CA 0.826 45.928 45.100 0.004 0.000 0.769 218 G HN 0.488 nan 8.290 nan 0.000 0.547 219 A N 0.624 123.438 122.820 -0.011 0.000 1.929 219 A HA 0.067 4.420 4.320 0.055 0.000 0.216 219 A C 2.163 179.742 177.584 -0.009 0.000 1.176 219 A CA 2.103 54.131 52.037 -0.014 0.000 0.628 219 A CB -0.312 18.681 19.000 -0.012 0.000 0.816 219 A HN 0.387 nan 8.150 nan 0.000 0.444 220 E N 0.471 120.669 120.200 -0.004 0.000 2.047 220 E HA -0.103 4.280 4.350 0.055 0.000 0.191 220 E C 1.795 178.394 176.600 -0.001 0.000 0.987 220 E CA 1.238 57.637 56.400 -0.002 0.000 0.799 220 E CB -0.481 29.219 29.700 -0.000 0.000 0.752 220 E HN 0.569 nan 8.360 nan 0.000 0.449 221 L N 0.352 121.577 121.223 0.003 0.000 2.127 221 L HA -0.150 4.224 4.340 0.055 0.000 0.211 221 L C 2.431 179.303 176.870 0.002 0.000 1.089 221 L CA 1.807 56.651 54.840 0.007 0.000 0.757 221 L CB -0.769 41.301 42.059 0.017 0.000 0.899 221 L HN 0.332 nan 8.230 nan 0.000 0.434 222 T N -4.929 109.622 114.554 -0.006 0.000 3.057 222 T HA -0.013 4.370 4.350 0.055 0.000 0.254 222 T C 1.822 176.515 174.700 -0.011 0.000 1.094 222 T CA 0.670 62.763 62.100 -0.012 0.000 1.088 222 T CB 0.004 68.856 68.868 -0.026 0.000 0.934 222 T HN 0.383 nan 8.240 nan 0.000 0.497 223 S N 0.751 116.445 115.700 -0.009 0.000 2.492 223 S HA 0.139 4.642 4.470 0.055 0.000 0.218 223 S C 0.884 175.481 174.600 -0.005 0.000 1.016 223 S CA -0.503 57.692 58.200 -0.008 0.000 0.916 223 S CB -0.579 62.616 63.200 -0.009 0.000 0.791 223 S HN 0.416 nan 8.310 nan 0.000 0.513 224 N N 2.478 121.176 118.700 -0.003 0.000 2.452 224 N HA 0.044 4.818 4.740 0.055 0.000 0.266 224 N C -0.246 175.264 175.510 -0.000 0.000 1.175 224 N CA 0.201 53.250 53.050 -0.002 0.000 0.945 224 N CB 0.844 39.331 38.487 -0.001 0.000 1.063 224 N HN 0.155 nan 8.380 nan 0.000 0.472 225 D N 2.458 122.858 120.400 -0.000 0.000 2.221 225 D HA -0.111 4.562 4.640 0.055 0.000 0.204 225 D C 1.121 177.423 176.300 0.004 0.000 0.982 225 D CA 1.351 55.352 54.000 0.001 0.000 0.857 225 D CB 0.089 40.889 40.800 0.001 0.000 0.934 225 D HN 0.578 nan 8.370 nan 0.000 0.475 226 T N 0.516 115.073 114.554 0.004 0.000 2.867 226 T HA -0.029 4.354 4.350 0.055 0.000 0.268 226 T C 1.138 175.845 174.700 0.010 0.000 1.057 226 T CA 0.274 62.377 62.100 0.006 0.000 1.136 226 T CB 0.201 69.070 68.868 0.003 0.000 0.874 226 T HN -0.055 nan 8.240 nan 0.000 0.466 227 V N 2.506 122.426 119.914 0.009 0.000 2.470 227 V HA 0.198 4.351 4.120 0.055 0.000 0.276 227 V C 1.124 177.227 176.094 0.015 0.000 1.040 227 V CA 0.149 62.458 62.300 0.015 0.000 1.008 227 V CB 1.006 32.837 31.823 0.014 0.000 0.990 227 V HN 0.285 nan 8.190 nan 0.000 0.477 228 R N 2.587 123.099 120.500 0.021 0.000 2.397 228 R HA 0.234 4.608 4.340 0.055 0.000 0.241 228 R C 0.111 176.415 176.300 0.008 0.000 0.914 228 R CA -0.125 55.984 56.100 0.016 0.000 1.071 228 R CB 0.552 30.865 30.300 0.021 0.000 1.116 228 R HN 0.603 nan 8.270 nan 0.000 0.524 229 K N 0.722 121.130 120.400 0.013 0.000 2.570 229 K HA 0.218 4.572 4.320 0.055 0.000 0.256 229 K C -2.243 174.369 176.600 0.021 0.000 0.939 229 K CA -0.654 55.630 56.287 -0.005 0.000 0.833 229 K CB 1.296 33.783 32.500 -0.021 0.000 1.318 229 K HN -0.075 nan 8.250 nan 0.000 0.433 230 L N 2.427 123.657 121.223 0.012 0.000 2.341 230 L HA 0.751 5.124 4.340 0.055 0.000 0.278 230 L C -1.244 175.659 176.870 0.054 0.000 1.005 230 L CA 0.093 54.960 54.840 0.046 0.000 0.818 230 L CB 2.169 44.251 42.059 0.037 0.000 1.259 230 L HN 0.676 nan 8.230 nan 0.000 0.418 231 S N 4.756 120.520 115.700 0.107 0.000 2.519 231 S HA 0.727 5.231 4.470 0.055 0.000 0.309 231 S C -1.275 173.438 174.600 0.190 0.000 1.100 231 S CA -0.441 57.833 58.200 0.123 0.000 1.059 231 S CB 0.472 63.759 63.200 0.146 0.000 1.008 231 S HN 0.525 nan 8.310 nan 0.000 0.478 232 F N 3.317 123.279 119.950 0.021 0.000 2.565 232 F HA 0.711 5.271 4.527 0.055 0.000 0.313 232 F C -0.796 175.013 175.800 0.015 0.000 1.091 232 F CA -0.169 57.842 58.000 0.018 0.000 0.915 232 F CB 2.125 41.134 39.000 0.014 0.000 1.208 232 F HN 0.448 nan 8.300 nan 0.000 0.453 233 T N 4.098 118.081 114.554 -0.951 0.000 2.879 233 T HA 0.810 5.193 4.350 0.055 0.000 0.290 233 T C -0.282 173.636 174.700 -1.304 0.000 0.993 233 T CA -0.210 61.391 62.100 -0.831 0.000 0.975 233 T CB 1.293 69.943 68.868 -0.362 0.000 0.981 233 T HN 1.195 nan 8.240 nan 0.000 0.439 234 G N 1.813 110.068 108.800 -0.909 0.000 2.404 234 G HA2 0.413 4.407 3.960 0.055 0.000 0.253 234 G HA3 0.413 4.407 3.960 0.055 0.000 0.253 234 G C -0.620 174.272 174.900 -0.014 0.000 1.253 234 G CA -0.239 44.570 45.100 -0.484 0.000 0.917 234 G HN 1.006 nan 8.290 nan 0.000 0.480 235 S N -0.539 115.275 115.700 0.189 0.000 2.592 235 S HA 0.471 4.974 4.470 0.055 0.000 0.271 235 S C 1.400 176.141 174.600 0.236 0.000 1.326 235 S CA 0.999 59.276 58.200 0.129 0.000 1.024 235 S CB 1.322 64.572 63.200 0.082 0.000 0.921 235 S HN 0.949 nan 8.310 nan 0.000 0.527 236 T N 1.950 116.612 114.554 0.180 0.000 2.746 236 T HA -0.104 4.279 4.350 0.055 0.000 0.267 236 T C 1.494 176.272 174.700 0.131 0.000 1.039 236 T CA 1.922 64.147 62.100 0.209 0.000 1.142 236 T CB -0.544 68.517 68.868 0.322 0.000 0.866 236 T HN 0.761 nan 8.240 nan 0.000 0.444 237 E N 0.681 120.944 120.200 0.106 0.000 2.058 237 E HA -0.093 4.290 4.350 0.055 0.000 0.194 237 E C 2.328 178.929 176.600 0.001 0.000 0.997 237 E CA 0.901 57.333 56.400 0.052 0.000 0.801 237 E CB -0.581 29.148 29.700 0.050 0.000 0.746 237 E HN 0.237 nan 8.360 nan 0.000 0.450 238 V N 0.273 120.185 119.914 -0.004 0.000 2.453 238 V HA -0.137 4.016 4.120 0.055 0.000 0.247 238 V C 2.201 178.077 176.094 -0.362 0.000 1.048 238 V CA 1.806 64.013 62.300 -0.154 0.000 1.049 238 V CB -0.961 30.803 31.823 -0.099 0.000 0.672 238 V HN 0.446 nan 8.190 nan 0.000 0.457 239 G N 0.168 108.820 108.800 -0.247 0.000 2.446 239 G HA2 -0.279 3.715 3.960 0.055 0.000 0.217 239 G HA3 -0.279 3.715 3.960 0.055 0.000 0.217 239 G C 1.721 176.547 174.900 -0.124 0.000 1.168 239 G CA 0.908 45.888 45.100 -0.201 0.000 0.771 239 G HN 0.438 nan 8.290 nan 0.000 0.551 240 R N -0.216 120.251 120.500 -0.055 0.000 2.091 240 R HA 0.026 4.399 4.340 0.055 0.000 0.238 240 R C 2.640 178.897 176.300 -0.072 0.000 1.136 240 R CA 1.108 57.182 56.100 -0.043 0.000 0.959 240 R CB -0.473 29.816 30.300 -0.018 0.000 0.856 240 R HN 0.335 nan 8.270 nan 0.000 0.437 241 L N 0.368 121.531 121.223 -0.100 0.000 2.056 241 L HA -0.159 4.214 4.340 0.055 0.000 0.207 241 L C 2.337 179.135 176.870 -0.119 0.000 1.078 241 L CA 1.099 55.880 54.840 -0.098 0.000 0.749 241 L CB -0.360 41.641 42.059 -0.097 0.000 0.901 241 L HN 0.214 nan 8.230 nan 0.000 0.433 242 L N -0.998 120.112 121.223 -0.189 0.000 2.056 242 L HA -0.238 4.135 4.340 0.055 0.000 0.207 242 L C 2.646 179.450 176.870 -0.109 0.000 1.078 242 L CA 1.185 55.915 54.840 -0.184 0.000 0.749 242 L CB -0.341 41.524 42.059 -0.323 0.000 0.901 242 L HN 0.326 nan 8.230 nan 0.000 0.433 243 M N -0.272 119.273 119.600 -0.092 0.000 2.117 243 M HA -0.224 4.289 4.480 0.055 0.000 0.262 243 M C 2.367 178.641 176.300 -0.044 0.000 1.065 243 M CA 2.034 57.303 55.300 -0.052 0.000 1.114 243 M CB -0.098 32.481 32.600 -0.036 0.000 1.361 243 M HN 0.278 nan 8.290 nan 0.000 0.408 244 A N -0.070 122.721 122.820 -0.048 0.000 1.902 244 A HA -0.227 4.126 4.320 0.055 0.000 0.217 244 A C 1.901 179.463 177.584 -0.036 0.000 1.181 244 A CA 1.796 53.810 52.037 -0.038 0.000 0.623 244 A CB -0.765 18.213 19.000 -0.037 0.000 0.818 244 A HN 0.718 nan 8.150 nan 0.000 0.443 245 Q N -1.282 118.491 119.800 -0.045 0.000 2.297 245 Q HA -0.112 4.261 4.340 0.055 0.000 0.204 245 Q C 2.021 178.002 176.000 -0.032 0.000 0.962 245 Q CA 1.242 57.021 55.803 -0.039 0.000 0.879 245 Q CB -0.326 28.383 28.738 -0.048 0.000 0.947 245 Q HN 0.759 nan 8.270 nan 0.000 0.462 246 C N 0.136 119.417 119.300 -0.033 0.000 2.481 246 C HA 0.073 4.566 4.460 0.055 0.000 0.275 246 C C 2.691 177.670 174.990 -0.019 0.000 1.419 246 C CA 0.354 59.358 59.018 -0.024 0.000 1.773 246 C CB -0.975 26.750 27.740 -0.024 0.000 1.862 246 C HN 0.569 nan 8.230 nan 0.000 0.530 247 A N 2.063 124.871 122.820 -0.021 0.000 1.933 247 A HA -0.093 4.260 4.320 0.055 0.000 0.218 247 A C 0.190 177.766 177.584 -0.014 0.000 1.175 247 A CA 1.668 53.695 52.037 -0.017 0.000 0.628 247 A CB -1.704 17.285 19.000 -0.018 0.000 0.814 247 A HN 0.459 nan 8.150 nan 0.000 0.444 248 P HA -0.078 nan 4.420 nan 0.000 0.220 248 P C 1.041 178.336 177.300 -0.008 0.000 1.148 248 P CA 1.879 64.973 63.100 -0.011 0.000 0.803 248 P CB -0.144 31.549 31.700 -0.011 0.000 0.782 249 T N -4.518 110.031 114.554 -0.008 0.000 3.132 249 T HA 0.216 4.599 4.350 0.055 0.000 0.274 249 T C 0.567 175.263 174.700 -0.006 0.000 1.011 249 T CA -0.487 61.610 62.100 -0.006 0.000 0.899 249 T CB -0.516 68.349 68.868 -0.005 0.000 1.089 249 T HN -0.143 nan 8.240 nan 0.000 0.543 250 I N 0.785 121.350 120.570 -0.008 0.000 6.521 250 I HA -0.217 3.986 4.170 0.055 0.000 0.126 250 I C 0.058 176.170 176.117 -0.009 0.000 1.822 250 I CA 0.571 61.866 61.300 -0.008 0.000 2.063 250 I CB -2.269 35.728 38.000 -0.006 0.000 3.493 250 I HN 0.543 nan 8.210 nan 0.000 0.177 251 K N 2.151 122.545 120.400 -0.011 0.000 2.295 251 K HA 0.280 4.633 4.320 0.055 0.000 0.270 251 K C 0.942 177.531 176.600 -0.017 0.000 1.011 251 K CA -0.775 55.506 56.287 -0.011 0.000 0.953 251 K CB 0.997 33.491 32.500 -0.010 0.000 0.956 251 K HN 0.151 nan 8.250 nan 0.000 0.477 252 R N 1.887 122.373 120.500 -0.024 0.000 2.570 252 R HA 0.178 4.551 4.340 0.055 0.000 0.277 252 R C 0.136 176.409 176.300 -0.045 0.000 1.039 252 R CA 0.123 56.199 56.100 -0.040 0.000 1.065 252 R CB 0.037 30.301 30.300 -0.061 0.000 0.964 252 R HN 0.628 nan 8.270 nan 0.000 0.428 253 I N 0.440 120.984 120.570 -0.044 0.000 2.686 253 I HA 0.223 4.426 4.170 0.055 0.000 0.295 253 I C -0.875 175.224 176.117 -0.031 0.000 1.114 253 I CA -0.279 61.004 61.300 -0.028 0.000 1.038 253 I CB 2.235 40.230 38.000 -0.009 0.000 1.238 253 I HN 0.435 nan 8.210 nan 0.000 0.420 254 S N 6.975 122.667 115.700 -0.014 0.000 2.526 254 S HA 0.763 5.266 4.470 0.055 0.000 0.293 254 S C -1.066 173.581 174.600 0.078 0.000 1.092 254 S CA -0.572 57.633 58.200 0.008 0.000 0.980 254 S CB 1.772 64.956 63.200 -0.027 0.000 1.048 254 S HN 0.420 nan 8.310 nan 0.000 0.483 255 L N 2.276 123.555 121.223 0.094 0.000 2.455 255 L HA 0.569 4.943 4.340 0.055 0.000 0.264 255 L C -0.735 176.203 176.870 0.112 0.000 0.968 255 L CA -0.489 54.446 54.840 0.159 0.000 0.827 255 L CB 2.290 44.450 42.059 0.169 0.000 1.317 255 L HN 0.596 nan 8.230 nan 0.000 0.407 256 E N 3.461 123.711 120.200 0.083 0.000 2.220 256 E HA 0.651 5.035 4.350 0.055 0.000 0.256 256 E C -1.372 175.246 176.600 0.030 0.000 0.881 256 E CA -0.323 56.108 56.400 0.050 0.000 0.766 256 E CB 1.286 30.997 29.700 0.019 0.000 1.187 256 E HN 0.498 nan 8.360 nan 0.000 0.419 257 L N 1.960 123.235 121.223 0.086 0.000 2.777 257 L HA 0.704 5.077 4.340 0.055 0.000 0.241 257 L C 1.078 177.974 176.870 0.043 0.000 1.854 257 L CA -1.181 53.723 54.840 0.108 0.000 2.070 257 L CB 0.114 42.293 42.059 0.200 0.000 2.441 257 L HN 0.566 nan 8.230 nan 0.000 0.587 258 G N -1.091 107.716 108.800 0.011 0.000 2.594 258 G HA2 0.459 4.453 3.960 0.055 0.000 0.243 258 G HA3 0.459 4.453 3.960 0.055 0.000 0.243 258 G C -0.347 174.329 174.900 -0.374 0.000 1.229 258 G CA 0.395 45.324 45.100 -0.284 0.000 0.843 258 G HN 0.707 nan 8.290 nan 0.000 0.578 259 G N -0.947 107.598 108.800 -0.425 0.000 3.105 259 G HA2 0.476 4.469 3.960 0.055 0.000 0.277 259 G HA3 0.476 4.469 3.960 0.055 0.000 0.277 259 G C -0.848 173.910 174.900 -0.236 0.000 1.375 259 G CA -0.575 44.406 45.100 -0.197 0.000 0.962 259 G HN 0.770 nan 8.290 nan 0.000 0.541 260 N N -0.901 117.865 118.700 0.110 0.000 2.805 260 N HA 0.340 5.113 4.740 0.055 0.000 0.216 260 N C -0.244 175.405 175.510 0.232 0.000 1.447 260 N CA -0.121 53.037 53.050 0.180 0.000 0.785 260 N CB 0.611 39.280 38.487 0.304 0.000 1.458 260 N HN 0.747 nan 8.380 nan 0.000 0.547 261 A N 2.457 125.383 122.820 0.176 0.000 2.491 261 A HA 0.411 4.764 4.320 0.055 0.000 0.261 261 A C -2.197 175.464 177.584 0.128 0.000 1.101 261 A CA -0.500 51.610 52.037 0.122 0.000 0.772 261 A CB -0.150 18.975 19.000 0.209 0.000 1.043 261 A HN 0.406 nan 8.150 nan 0.000 0.501 262 P HA 0.445 nan 4.420 nan 0.000 0.284 262 P C -1.086 176.362 177.300 0.247 0.000 1.258 262 P CA -0.285 62.906 63.100 0.150 0.000 0.824 262 P CB 0.997 32.749 31.700 0.087 0.000 1.038 263 F N 2.982 123.033 119.950 0.169 0.000 2.577 263 F HA 0.509 5.069 4.527 0.056 0.000 0.344 263 F C -0.961 174.934 175.800 0.159 0.000 1.145 263 F CA -0.848 57.279 58.000 0.212 0.000 0.996 263 F CB 0.737 39.814 39.000 0.129 0.000 1.248 263 F HN 0.071 nan 8.300 nan 0.000 0.447 264 I N 7.061 127.669 120.570 0.063 0.000 2.362 264 I HA 0.393 4.596 4.170 0.055 0.000 0.289 264 I C -0.975 175.153 176.117 0.018 0.000 0.994 264 I CA -1.054 60.257 61.300 0.018 0.000 1.158 264 I CB 1.722 39.604 38.000 -0.197 0.000 1.315 264 I HN 0.211 nan 8.210 nan 0.000 0.451 265 V N 7.030 126.963 119.914 0.031 0.000 2.334 265 V HA 0.379 4.532 4.120 0.055 0.000 0.281 265 V C -0.156 175.957 176.094 0.031 0.000 1.016 265 V CA -0.474 61.852 62.300 0.043 0.000 0.832 265 V CB 0.876 32.592 31.823 -0.178 0.000 0.999 265 V HN 0.380 nan 8.190 nan 0.000 0.439 266 F N 1.930 122.052 119.950 0.286 0.000 2.370 266 F HA 0.344 4.904 4.527 0.055 0.000 0.319 266 F C 1.619 177.499 175.800 0.133 0.000 1.129 266 F CA -0.401 57.748 58.000 0.249 0.000 1.109 266 F CB 0.657 39.814 39.000 0.261 0.000 1.262 266 F HN 0.452 nan 8.300 nan 0.000 0.534 267 D N 0.297 120.864 120.400 0.278 0.000 2.190 267 D HA -0.166 4.507 4.640 0.055 0.000 0.200 267 D C 1.188 177.593 176.300 0.174 0.000 0.992 267 D CA 1.505 55.603 54.000 0.163 0.000 0.854 267 D CB -0.312 40.559 40.800 0.117 0.000 0.936 267 D HN 0.534 nan 8.370 nan 0.000 0.462 268 D N -0.269 120.260 120.400 0.215 0.000 2.460 268 D HA 0.189 4.862 4.640 0.055 0.000 0.229 268 D C 0.192 176.613 176.300 0.201 0.000 1.170 268 D CA -0.349 53.754 54.000 0.171 0.000 0.827 268 D CB -0.450 40.430 40.800 0.135 0.000 0.973 268 D HN -0.048 nan 8.370 nan 0.000 0.496 269 A N 0.478 123.445 122.820 0.245 0.000 2.425 269 A HA 0.175 4.528 4.320 0.055 0.000 0.242 269 A C 0.315 178.016 177.584 0.195 0.000 1.077 269 A CA -0.410 51.785 52.037 0.265 0.000 0.781 269 A CB 0.288 19.458 19.000 0.282 0.000 1.020 269 A HN 0.192 nan 8.150 nan 0.000 0.494 270 D N 1.671 122.191 120.400 0.200 0.000 2.349 270 D HA 0.073 4.747 4.640 0.055 0.000 0.266 270 D C 0.761 177.136 176.300 0.124 0.000 1.293 270 D CA -0.157 53.932 54.000 0.149 0.000 0.926 270 D CB 0.448 41.338 40.800 0.149 0.000 1.090 270 D HN 0.327 nan 8.370 nan 0.000 0.502 271 L N 4.419 125.706 121.223 0.106 0.000 2.044 271 L HA -0.085 4.289 4.340 0.055 0.000 0.205 271 L C 1.653 178.562 176.870 0.065 0.000 1.075 271 L CA 1.462 56.372 54.840 0.116 0.000 0.747 271 L CB -0.319 41.815 42.059 0.124 0.000 0.903 271 L HN 0.358 nan 8.230 nan 0.000 0.435 272 D N -0.314 120.106 120.400 0.033 0.000 2.133 272 D HA -0.210 4.464 4.640 0.055 0.000 0.195 272 D C 2.153 178.448 176.300 -0.009 0.000 0.997 272 D CA 1.558 55.556 54.000 -0.003 0.000 0.840 272 D CB -0.119 40.683 40.800 0.003 0.000 0.947 272 D HN 0.454 nan 8.370 nan 0.000 0.452 273 A N 0.857 123.689 122.820 0.021 0.000 1.898 273 A HA 0.004 4.357 4.320 0.055 0.000 0.216 273 A C 2.323 179.811 177.584 -0.160 0.000 1.181 273 A CA 2.069 54.135 52.037 0.049 0.000 0.620 273 A CB -0.652 18.463 19.000 0.191 0.000 0.819 273 A HN 0.233 nan 8.150 nan 0.000 0.442 274 A N -0.427 122.151 122.820 -0.405 0.000 1.902 274 A HA -0.027 4.326 4.320 0.055 0.000 0.217 274 A C 2.219 179.776 177.584 -0.045 0.000 1.181 274 A CA 1.833 53.441 52.037 -0.715 0.000 0.623 274 A CB -0.962 17.857 19.000 -0.302 0.000 0.818 274 A HN 0.392 nan 8.150 nan 0.000 0.443 275 V N 0.744 120.663 119.914 0.009 0.000 2.332 275 V HA -0.260 3.894 4.120 0.055 0.000 0.248 275 V C 2.141 178.177 176.094 -0.096 0.000 1.055 275 V CA 2.319 64.536 62.300 -0.137 0.000 1.038 275 V CB -0.805 30.857 31.823 -0.270 0.000 0.651 275 V HN 0.516 nan 8.190 nan 0.000 0.450 276 D N 0.546 120.916 120.400 -0.050 0.000 2.144 276 D HA -0.102 4.571 4.640 0.055 0.000 0.199 276 D C 2.193 178.516 176.300 0.038 0.000 0.984 276 D CA 1.594 55.589 54.000 -0.008 0.000 0.834 276 D CB -0.488 40.324 40.800 0.021 0.000 0.955 276 D HN 0.493 nan 8.370 nan 0.000 0.465 277 G N 0.881 109.743 108.800 0.104 0.000 2.402 277 G HA2 -0.151 3.842 3.960 0.055 0.000 0.216 277 G HA3 -0.151 3.842 3.960 0.055 0.000 0.216 277 G C 1.739 176.687 174.900 0.080 0.000 1.162 277 G CA 1.091 46.353 45.100 0.270 0.000 0.777 277 G HN 0.379 nan 8.290 nan 0.000 0.539 278 A N 0.521 123.226 122.820 -0.193 0.000 1.933 278 A HA 0.026 4.380 4.320 0.055 0.000 0.218 278 A C 2.435 179.847 177.584 -0.288 0.000 1.175 278 A CA 1.861 53.496 52.037 -0.670 0.000 0.628 278 A CB -0.321 18.368 19.000 -0.518 0.000 0.814 278 A HN 0.295 nan 8.150 nan 0.000 0.444 279 M N -0.565 118.984 119.600 -0.085 0.000 2.086 279 M HA -0.091 4.422 4.480 0.055 0.000 0.261 279 M C 2.208 178.550 176.300 0.071 0.000 1.067 279 M CA 1.319 56.669 55.300 0.083 0.000 1.116 279 M CB -1.232 31.385 32.600 0.029 0.000 1.348 279 M HN 0.246 nan 8.290 nan 0.000 0.407 280 V N 0.286 120.203 119.914 0.006 0.000 2.453 280 V HA -0.173 3.980 4.120 0.055 0.000 0.247 280 V C 2.503 178.572 176.094 -0.042 0.000 1.048 280 V CA 1.908 64.213 62.300 0.008 0.000 1.049 280 V CB -0.754 31.081 31.823 0.021 0.000 0.672 280 V HN 0.598 nan 8.190 nan 0.000 0.457 281 S N -0.317 115.306 115.700 -0.129 0.000 2.496 281 S HA -0.089 4.415 4.470 0.055 0.000 0.224 281 S C 1.820 176.288 174.600 -0.220 0.000 0.996 281 S CA 1.046 59.131 58.200 -0.192 0.000 0.927 281 S CB -0.007 62.940 63.200 -0.423 0.000 0.774 281 S HN 0.465 nan 8.310 nan 0.000 0.524 282 K N 0.506 120.717 120.400 -0.316 0.000 2.168 282 K HA 0.245 4.598 4.320 0.055 0.000 0.201 282 K C 0.969 177.267 176.600 -0.504 0.000 1.049 282 K CA 0.953 56.951 56.287 -0.481 0.000 0.974 282 K CB -0.382 31.662 32.500 -0.760 0.000 0.792 282 K HN 0.459 nan 8.250 nan 0.000 0.463 283 Y N 0.430 120.683 120.300 -0.079 0.000 2.449 283 Y HA 0.329 4.912 4.550 0.056 0.000 0.254 283 Y C 0.399 176.276 175.900 -0.038 0.000 1.140 283 Y CA -0.367 57.703 58.100 -0.051 0.000 1.272 283 Y CB 0.139 38.570 38.460 -0.048 0.000 1.114 283 Y HN -0.116 nan 8.280 nan 0.000 0.525 284 R N 1.919 122.454 120.500 0.059 0.000 2.640 284 R HA -0.079 4.295 4.340 0.055 0.000 0.270 284 R C 0.552 176.861 176.300 0.015 0.000 1.024 284 R CA 0.470 56.598 56.100 0.046 0.000 1.085 284 R CB -0.006 30.323 30.300 0.049 0.000 0.963 284 R HN 0.259 nan 8.270 nan 0.000 0.426 285 N N 2.517 121.217 118.700 0.001 0.000 2.708 285 N HA -0.289 4.484 4.740 0.055 0.000 0.249 285 N C -0.366 175.129 175.510 -0.026 0.000 1.097 285 N CA 1.408 54.426 53.050 -0.052 0.000 0.710 285 N CB -1.079 37.321 38.487 -0.145 0.000 1.032 285 N HN 0.900 nan 8.380 nan 0.000 0.551 286 A N -2.177 120.660 122.820 0.027 0.000 2.826 286 A HA 0.060 4.413 4.320 0.055 0.000 0.274 286 A C 2.100 179.687 177.584 0.004 0.000 1.443 286 A CA 1.802 53.876 52.037 0.062 0.000 0.833 286 A CB -1.908 17.128 19.000 0.059 0.000 1.023 286 A HN 2.163 nan 8.150 nan 0.000 0.600 287 G N -2.411 106.346 108.800 -0.071 0.000 2.148 287 G HA2 -0.294 3.699 3.960 0.055 0.000 0.254 287 G HA3 -0.294 3.699 3.960 0.055 0.000 0.254 287 G C 0.237 174.915 174.900 -0.371 0.000 0.981 287 G CA 0.943 45.930 45.100 -0.187 0.000 0.670 287 G HN 1.357 nan 8.290 nan 0.000 0.528 288 Q N 0.771 120.347 119.800 -0.373 0.000 2.237 288 Q HA 0.279 4.653 4.340 0.055 0.000 0.252 288 Q C 0.940 176.481 176.000 -0.765 0.000 0.877 288 Q CA 0.576 55.945 55.803 -0.723 0.000 1.011 288 Q CB 0.553 29.273 28.738 -0.030 0.000 1.118 288 Q HN 0.650 nan 8.270 nan 0.000 0.458 289 T N -4.264 109.996 114.554 -0.491 0.000 2.929 289 T HA 0.182 4.566 4.350 0.055 0.000 0.284 289 T C 0.925 175.564 174.700 -0.102 0.000 1.014 289 T CA -0.775 61.286 62.100 -0.065 0.000 1.051 289 T CB 1.682 70.678 68.868 0.214 0.000 1.028 289 T HN 0.189 nan 8.240 nan 0.000 0.485 290 C N 1.837 121.213 119.300 0.127 0.000 2.468 290 C HA 0.080 4.573 4.460 0.055 0.000 0.277 290 C C 2.362 177.434 174.990 0.136 0.000 1.400 290 C CA 0.598 59.735 59.018 0.199 0.000 1.770 290 C CB -1.406 26.435 27.740 0.170 0.000 1.905 290 C HN 0.833 nan 8.230 nan 0.000 0.519 291 V N -2.099 117.891 119.914 0.125 0.000 3.620 291 V HA 0.240 4.393 4.120 0.055 0.000 0.286 291 V C 0.711 176.937 176.094 0.220 0.000 1.288 291 V CA -0.399 62.006 62.300 0.175 0.000 1.178 291 V CB -2.051 29.901 31.823 0.214 0.000 0.986 291 V HN 0.489 nan 8.190 nan 0.000 0.431 292 C N 2.717 122.079 119.300 0.102 0.000 2.637 292 C HA 0.646 5.140 4.460 0.055 0.000 0.418 292 C C 1.489 176.539 174.990 0.101 0.000 1.319 292 C CA -0.089 58.953 59.018 0.039 0.000 1.949 292 C CB -0.078 27.596 27.740 -0.111 0.000 2.639 292 C HN 0.810 nan 8.230 nan 0.000 0.594 293 A N 3.680 126.542 122.820 0.070 0.000 2.573 293 A HA -0.008 4.345 4.320 0.055 0.000 0.250 293 A C 1.015 178.621 177.584 0.036 0.000 1.049 293 A CA 0.452 52.549 52.037 0.100 0.000 0.767 293 A CB -0.149 18.794 19.000 -0.096 0.000 0.965 293 A HN 0.987 nan 8.150 nan 0.000 0.514 294 N N 1.338 120.095 118.700 0.096 0.000 2.414 294 N HA 0.066 4.839 4.740 0.055 0.000 0.177 294 N C 0.066 175.640 175.510 0.107 0.000 1.062 294 N CA 0.561 53.668 53.050 0.096 0.000 0.890 294 N CB 0.329 38.897 38.487 0.135 0.000 1.070 294 N HN 0.699 nan 8.380 nan 0.000 0.454 295 R N 0.325 120.859 120.500 0.056 0.000 2.502 295 R HA 0.411 4.784 4.340 0.055 0.000 0.298 295 R C -1.183 175.035 176.300 -0.137 0.000 1.018 295 R CA -0.471 55.570 56.100 -0.098 0.000 0.899 295 R CB 1.901 31.893 30.300 -0.513 0.000 1.181 295 R HN 0.064 nan 8.270 nan 0.000 0.444 296 I N 3.847 124.398 120.570 -0.031 0.000 2.306 296 I HA 0.245 4.448 4.170 0.055 0.000 0.288 296 I C -0.709 175.418 176.117 0.017 0.000 1.036 296 I CA -0.590 60.738 61.300 0.046 0.000 1.221 296 I CB 0.432 38.449 38.000 0.028 0.000 1.385 296 I HN 0.414 nan 8.210 nan 0.000 0.472 297 Y N 5.568 125.955 120.300 0.145 0.000 2.341 297 Y HA 0.526 5.109 4.550 0.055 0.000 0.340 297 Y C 0.037 176.105 175.900 0.280 0.000 0.997 297 Y CA -0.650 57.574 58.100 0.206 0.000 1.149 297 Y CB 1.398 39.812 38.460 -0.078 0.000 1.171 297 Y HN 0.188 nan 8.280 nan 0.000 0.494 298 V N 3.893 124.079 119.914 0.453 0.000 2.588 298 V HA 0.282 4.435 4.120 0.055 0.000 0.304 298 V C -0.344 175.693 176.094 -0.096 0.000 1.042 298 V CA -1.316 61.053 62.300 0.114 0.000 0.877 298 V CB 1.726 33.434 31.823 -0.191 0.000 0.996 298 V HN 0.677 nan 8.190 nan 0.000 0.425 299 Q N 2.787 122.269 119.800 -0.530 0.000 2.352 299 Q HA 0.209 4.582 4.340 0.055 0.000 0.260 299 Q C 1.465 177.271 176.000 -0.324 0.000 0.976 299 Q CA -0.065 55.143 55.803 -0.992 0.000 0.881 299 Q CB 0.863 29.147 28.738 -0.756 0.000 1.235 299 Q HN 0.663 nan 8.270 nan 0.000 0.419 300 R N 2.785 123.112 120.500 -0.287 0.000 2.134 300 R HA -0.241 4.132 4.340 0.055 0.000 0.248 300 R C 1.661 177.955 176.300 -0.011 0.000 1.143 300 R CA 2.162 58.204 56.100 -0.096 0.000 0.957 300 R CB -0.833 29.408 30.300 -0.098 0.000 0.867 300 R HN 0.946 nan 8.270 nan 0.000 0.441 301 G N -0.313 108.469 108.800 -0.029 0.000 2.485 301 G HA2 -0.222 3.771 3.960 0.055 0.000 0.221 301 G HA3 -0.222 3.771 3.960 0.055 0.000 0.221 301 G C 1.155 176.089 174.900 0.057 0.000 1.115 301 G CA 1.238 46.349 45.100 0.018 0.000 0.751 301 G HN 0.434 nan 8.290 nan 0.000 0.567 302 V N -3.729 116.225 119.914 0.068 0.000 3.346 302 V HA 0.396 4.550 4.120 0.055 0.000 0.309 302 V C 1.704 177.891 176.094 0.155 0.000 1.457 302 V CA -0.261 62.101 62.300 0.104 0.000 1.069 302 V CB -0.729 31.151 31.823 0.096 0.000 0.944 302 V HN 0.228 nan 8.190 nan 0.000 0.449 303 Y N 2.326 122.645 120.300 0.032 0.000 2.097 303 Y HA -0.196 4.388 4.550 0.055 0.000 0.282 303 Y C 2.259 178.232 175.900 0.121 0.000 1.152 303 Y CA 2.562 60.704 58.100 0.069 0.000 1.136 303 Y CB 0.057 38.530 38.460 0.023 0.000 0.975 303 Y HN 0.293 nan 8.280 nan 0.000 0.498 304 D N -0.036 120.555 120.400 0.319 0.000 2.097 304 D HA -0.175 4.498 4.640 0.055 0.000 0.197 304 D C 2.049 178.408 176.300 0.100 0.000 0.984 304 D CA 1.396 55.525 54.000 0.214 0.000 0.826 304 D CB -0.368 40.534 40.800 0.170 0.000 0.973 304 D HN 0.325 nan 8.370 nan 0.000 0.460 305 K N -0.232 120.227 120.400 0.097 0.000 2.063 305 K HA -0.165 4.188 4.320 0.055 0.000 0.208 305 K C 2.109 178.734 176.600 0.041 0.000 1.048 305 K CA 0.832 57.156 56.287 0.060 0.000 0.928 305 K CB -0.224 32.319 32.500 0.073 0.000 0.713 305 K HN 0.052 nan 8.250 nan 0.000 0.442 306 F N 0.835 120.747 119.950 -0.063 0.000 2.113 306 F HA -0.090 4.470 4.527 0.055 0.000 0.297 306 F C 1.997 177.717 175.800 -0.133 0.000 1.103 306 F CA 1.437 59.380 58.000 -0.096 0.000 1.248 306 F CB -0.470 38.463 39.000 -0.111 0.000 0.999 306 F HN 0.059 nan 8.300 nan 0.000 0.475 307 A N 0.313 123.105 122.820 -0.047 0.000 1.908 307 A HA -0.284 4.069 4.320 0.055 0.000 0.218 307 A C 2.292 179.785 177.584 -0.152 0.000 1.181 307 A CA 1.988 53.946 52.037 -0.132 0.000 0.627 307 A CB -1.154 17.775 19.000 -0.118 0.000 0.818 307 A HN 0.640 nan 8.150 nan 0.000 0.445 308 E N 0.084 120.224 120.200 -0.101 0.000 2.106 308 E HA -0.217 4.167 4.350 0.055 0.000 0.192 308 E C 1.866 178.382 176.600 -0.139 0.000 0.984 308 E CA 1.411 57.758 56.400 -0.088 0.000 0.806 308 E CB -0.189 29.486 29.700 -0.041 0.000 0.750 308 E HN 0.645 nan 8.360 nan 0.000 0.458 309 K N 0.235 120.518 120.400 -0.195 0.000 2.097 309 K HA -0.116 4.237 4.320 0.055 0.000 0.205 309 K C 2.312 178.739 176.600 -0.288 0.000 1.050 309 K CA 0.977 57.130 56.287 -0.224 0.000 0.938 309 K CB -0.151 32.206 32.500 -0.239 0.000 0.718 309 K HN 0.113 nan 8.250 nan 0.000 0.442 310 L N 1.079 122.046 121.223 -0.426 0.000 2.056 310 L HA -0.111 4.262 4.340 0.055 0.000 0.207 310 L C 2.216 178.950 176.870 -0.227 0.000 1.078 310 L CA 1.590 56.194 54.840 -0.395 0.000 0.749 310 L CB -0.511 41.236 42.059 -0.519 0.000 0.901 310 L HN 0.109 nan 8.230 nan 0.000 0.433 311 A N -0.348 122.363 122.820 -0.181 0.000 1.883 311 A HA -0.189 4.164 4.320 0.055 0.000 0.217 311 A C 2.476 179.983 177.584 -0.128 0.000 1.186 311 A CA 1.948 53.909 52.037 -0.127 0.000 0.624 311 A CB -1.268 17.677 19.000 -0.091 0.000 0.822 311 A HN 0.570 nan 8.150 nan 0.000 0.444 312 A N -0.311 122.433 122.820 -0.127 0.000 1.948 312 A HA -0.205 4.149 4.320 0.055 0.000 0.220 312 A C 2.128 179.637 177.584 -0.125 0.000 1.177 312 A CA 1.909 53.879 52.037 -0.112 0.000 0.636 312 A CB -0.368 18.571 19.000 -0.101 0.000 0.815 312 A HN 0.497 nan 8.150 nan 0.000 0.449 313 K N -0.625 119.684 120.400 -0.151 0.000 2.116 313 K HA 0.036 4.389 4.320 0.055 0.000 0.203 313 K C 1.959 178.440 176.600 -0.199 0.000 1.052 313 K CA 1.114 57.307 56.287 -0.157 0.000 0.952 313 K CB -0.468 31.936 32.500 -0.158 0.000 0.729 313 K HN 0.353 nan 8.250 nan 0.000 0.446 314 V N 2.236 122.009 119.914 -0.236 0.000 2.358 314 V HA -0.225 3.928 4.120 0.055 0.000 0.246 314 V C 2.509 178.460 176.094 -0.239 0.000 1.047 314 V CA 1.648 63.748 62.300 -0.333 0.000 1.035 314 V CB -0.428 31.211 31.823 -0.306 0.000 0.658 314 V HN 0.345 nan 8.190 nan 0.000 0.452 315 K N 0.728 121.028 120.400 -0.168 0.000 2.160 315 K HA -0.225 4.129 4.320 0.055 0.000 0.206 315 K C 1.953 178.481 176.600 -0.121 0.000 1.047 315 K CA 1.958 58.168 56.287 -0.129 0.000 0.930 315 K CB -0.138 32.301 32.500 -0.102 0.000 0.720 315 K HN 0.591 nan 8.250 nan 0.000 0.450 316 E N 0.868 120.993 120.200 -0.125 0.000 2.511 316 E HA 0.065 4.448 4.350 0.055 0.000 0.196 316 E C 0.560 177.093 176.600 -0.112 0.000 1.066 316 E CA 0.262 56.598 56.400 -0.106 0.000 0.871 316 E CB -0.492 29.151 29.700 -0.095 0.000 0.863 316 E HN 0.311 nan 8.360 nan 0.000 0.520 317 L N 1.317 122.453 121.223 -0.146 0.000 2.418 317 L HA 0.195 4.568 4.340 0.055 0.000 0.274 317 L C 0.594 177.406 176.870 -0.098 0.000 1.135 317 L CA -0.180 54.578 54.840 -0.137 0.000 0.870 317 L CB 1.063 43.000 42.059 -0.204 0.000 1.154 317 L HN 0.122 nan 8.230 nan 0.000 0.462 318 K N 3.168 123.526 120.400 -0.071 0.000 2.316 318 K HA 0.324 4.677 4.320 0.055 0.000 0.289 318 K C -0.883 175.695 176.600 -0.037 0.000 1.070 318 K CA -0.463 55.790 56.287 -0.058 0.000 0.928 318 K CB 0.774 33.245 32.500 -0.048 0.000 1.039 318 K HN 0.330 nan 8.250 nan 0.000 0.480 319 V N 3.809 123.697 119.914 -0.044 0.000 2.439 319 V HA 0.738 4.892 4.120 0.055 0.000 0.282 319 V C 0.681 176.724 176.094 -0.085 0.000 1.039 319 V CA 0.006 62.302 62.300 -0.007 0.000 0.913 319 V CB 1.001 32.824 31.823 -0.000 0.000 0.983 319 V HN 1.062 nan 8.190 nan 0.000 0.460 320 G N 3.383 112.184 108.800 0.002 0.000 2.317 320 G HA2 0.113 4.106 3.960 0.055 0.000 0.293 320 G HA3 0.113 4.106 3.960 0.055 0.000 0.293 320 G C -1.055 173.955 174.900 0.184 0.000 1.287 320 G CA -0.891 44.130 45.100 -0.132 0.000 0.850 320 G HN 0.570 nan 8.290 nan 0.000 0.515 321 N N 0.596 119.371 118.700 0.125 0.000 2.359 321 N HA 0.104 4.877 4.740 0.055 0.000 0.261 321 N C 1.736 177.314 175.510 0.114 0.000 1.267 321 N CA 1.054 54.218 53.050 0.191 0.000 0.864 321 N CB 1.188 39.739 38.487 0.106 0.000 1.063 321 N HN 0.932 nan 8.380 nan 0.000 0.474 322 G N 2.171 111.037 108.800 0.109 0.000 2.516 322 G HA2 -0.264 3.729 3.960 0.055 0.000 0.221 322 G HA3 -0.264 3.729 3.960 0.055 0.000 0.221 322 G C 1.268 176.192 174.900 0.039 0.000 1.107 322 G CA 1.446 46.584 45.100 0.063 0.000 0.747 322 G HN 0.733 nan 8.290 nan 0.000 0.567 323 T N -1.632 112.944 114.554 0.036 0.000 3.129 323 T HA 0.208 4.591 4.350 0.055 0.000 0.251 323 T C 0.580 175.289 174.700 0.015 0.000 1.117 323 T CA -0.082 62.031 62.100 0.022 0.000 1.034 323 T CB 0.300 69.180 68.868 0.019 0.000 0.968 323 T HN 0.154 nan 8.240 nan 0.000 0.526 324 E N 2.839 123.049 120.200 0.016 0.000 2.301 324 E HA 0.320 4.703 4.350 0.055 0.000 0.275 324 E C -2.630 173.969 176.600 -0.001 0.000 1.030 324 E CA -2.569 53.833 56.400 0.003 0.000 0.852 324 E CB 0.840 30.536 29.700 -0.005 0.000 1.060 324 E HN 0.231 nan 8.360 nan 0.000 0.401 325 P HA 0.064 nan 4.420 nan 0.000 0.268 325 P C 0.764 178.057 177.300 -0.012 0.000 1.204 325 P CA 0.661 63.757 63.100 -0.008 0.000 0.768 325 P CB 0.574 32.268 31.700 -0.010 0.000 0.842 326 G N 1.268 110.061 108.800 -0.011 0.000 2.267 326 G HA2 -0.250 3.743 3.960 0.055 0.000 0.257 326 G HA3 -0.250 3.743 3.960 0.055 0.000 0.257 326 G C 0.210 175.101 174.900 -0.015 0.000 0.998 326 G CA -0.035 45.055 45.100 -0.016 0.000 0.620 326 G HN 0.545 nan 8.290 nan 0.000 0.529 327 V N 1.922 121.831 119.914 -0.007 0.000 2.529 327 V HA 0.321 4.474 4.120 0.055 0.000 0.292 327 V C 1.768 177.868 176.094 0.009 0.000 1.028 327 V CA 0.777 63.078 62.300 0.002 0.000 1.074 327 V CB 1.441 33.275 31.823 0.019 0.000 0.958 327 V HN 1.021 nan 8.190 nan 0.000 0.481 328 V N 3.379 123.297 119.914 0.006 0.000 3.604 328 V HA 0.451 4.604 4.120 0.055 0.000 0.277 328 V C 0.438 176.549 176.094 0.028 0.000 1.399 328 V CA 0.234 62.540 62.300 0.010 0.000 1.034 328 V CB 0.487 32.305 31.823 -0.010 0.000 0.824 328 V HN 0.544 nan 8.190 nan 0.000 0.439 329 I N 2.141 122.737 120.570 0.043 0.000 2.447 329 I HA 0.706 4.909 4.170 0.055 0.000 0.287 329 I C 0.758 176.956 176.117 0.135 0.000 1.023 329 I CA 0.071 61.419 61.300 0.080 0.000 1.083 329 I CB 1.146 39.195 38.000 0.083 0.000 1.245 329 I HN 0.223 nan 8.210 nan 0.000 0.434 330 G N 7.607 116.478 108.800 0.118 0.000 2.543 330 G HA2 0.570 4.564 3.960 0.055 0.000 0.290 330 G HA3 0.570 4.564 3.960 0.055 0.000 0.290 330 G C -2.628 172.312 174.900 0.067 0.000 1.310 330 G CA -0.907 44.275 45.100 0.136 0.000 1.025 330 G HN 0.360 nan 8.290 nan 0.000 0.502 331 P HA 0.135 nan 4.420 nan 0.000 0.274 331 P C -0.097 177.043 177.300 -0.267 0.000 1.237 331 P CA -0.106 62.613 63.100 -0.636 0.000 0.793 331 P CB 0.829 31.895 31.700 -1.057 0.000 0.977 332 M N 1.539 121.010 119.600 -0.215 0.000 2.226 332 M HA 0.058 4.571 4.480 0.055 0.000 0.324 332 M C 1.712 177.878 176.300 -0.224 0.000 1.112 332 M CA -0.312 54.899 55.300 -0.148 0.000 1.176 332 M CB 0.317 32.860 32.600 -0.095 0.000 1.430 332 M HN 0.272 nan 8.290 nan 0.000 0.462 333 I N 0.730 121.136 120.570 -0.274 0.000 2.439 333 I HA -0.117 4.086 4.170 0.055 0.000 0.251 333 I C 0.639 176.530 176.117 -0.377 0.000 1.139 333 I CA 1.480 62.525 61.300 -0.427 0.000 1.438 333 I CB 0.085 37.538 38.000 -0.911 0.000 1.085 333 I HN 0.714 nan 8.210 nan 0.000 0.427 334 E N -1.673 118.343 120.200 -0.308 0.000 2.407 334 E HA 0.141 4.524 4.350 0.055 0.000 0.279 334 E C 0.026 176.530 176.600 -0.160 0.000 1.012 334 E CA -0.629 55.632 56.400 -0.232 0.000 0.800 334 E CB 0.564 30.109 29.700 -0.258 0.000 1.276 334 E HN -0.213 nan 8.360 nan 0.000 0.452 335 E N 1.223 121.354 120.200 -0.115 0.000 2.110 335 E HA -0.169 4.214 4.350 0.055 0.000 0.193 335 E C 1.695 178.249 176.600 -0.076 0.000 0.988 335 E CA 1.810 58.163 56.400 -0.078 0.000 0.804 335 E CB -0.016 29.653 29.700 -0.051 0.000 0.745 335 E HN 0.625 nan 8.360 nan 0.000 0.458 336 K N -0.191 120.163 120.400 -0.076 0.000 2.362 336 K HA 0.058 4.411 4.320 0.055 0.000 0.200 336 K C 1.952 178.507 176.600 -0.074 0.000 1.046 336 K CA 1.112 57.362 56.287 -0.061 0.000 0.952 336 K CB -0.046 32.427 32.500 -0.045 0.000 0.753 336 K HN -0.008 nan 8.250 nan 0.000 0.466 337 A N 1.778 124.543 122.820 -0.092 0.000 1.898 337 A HA -0.040 4.313 4.320 0.055 0.000 0.216 337 A C 2.098 179.582 177.584 -0.167 0.000 1.181 337 A CA 1.166 53.151 52.037 -0.086 0.000 0.620 337 A CB -0.476 18.485 19.000 -0.065 0.000 0.819 337 A HN 0.320 nan 8.150 nan 0.000 0.442 338 I N -0.442 120.015 120.570 -0.188 0.000 2.202 338 I HA -0.214 3.990 4.170 0.055 0.000 0.242 338 I C 2.599 178.574 176.117 -0.237 0.000 1.091 338 I CA 1.711 62.835 61.300 -0.292 0.000 1.368 338 I CB -0.589 37.328 38.000 -0.139 0.000 1.058 338 I HN 0.241 nan 8.210 nan 0.000 0.410 339 T N 0.563 115.046 114.554 -0.118 0.000 2.699 339 T HA -0.288 4.095 4.350 0.055 0.000 0.268 339 T C 1.948 176.596 174.700 -0.085 0.000 1.036 339 T CA 1.629 63.689 62.100 -0.067 0.000 1.147 339 T CB -0.240 68.608 68.868 -0.034 0.000 0.862 339 T HN 0.301 nan 8.240 nan 0.000 0.446 340 K N 0.637 120.964 120.400 -0.121 0.000 2.026 340 K HA -0.087 4.266 4.320 0.055 0.000 0.208 340 K C 2.279 178.723 176.600 -0.260 0.000 1.048 340 K CA 1.176 57.368 56.287 -0.158 0.000 0.929 340 K CB -0.324 32.072 32.500 -0.173 0.000 0.713 340 K HN 0.180 nan 8.250 nan 0.000 0.439 341 V N 1.926 121.651 119.914 -0.314 0.000 2.332 341 V HA -0.266 3.887 4.120 0.055 0.000 0.248 341 V C 2.200 178.214 176.094 -0.134 0.000 1.055 341 V CA 1.872 63.985 62.300 -0.313 0.000 1.038 341 V CB -0.452 31.045 31.823 -0.543 0.000 0.651 341 V HN 0.355 nan 8.190 nan 0.000 0.450 342 K N 0.288 120.610 120.400 -0.130 0.000 2.057 342 K HA -0.142 4.211 4.320 0.055 0.000 0.207 342 K C 2.336 178.985 176.600 0.083 0.000 1.049 342 K CA 1.531 57.846 56.287 0.047 0.000 0.931 342 K CB -0.432 32.110 32.500 0.070 0.000 0.714 342 K HN 0.489 nan 8.250 nan 0.000 0.440 343 A N 1.050 123.912 122.820 0.070 0.000 1.898 343 A HA -0.182 4.171 4.320 0.055 0.000 0.216 343 A C 1.776 179.486 177.584 0.211 0.000 1.181 343 A CA 1.280 53.393 52.037 0.125 0.000 0.620 343 A CB -0.794 18.281 19.000 0.126 0.000 0.819 343 A HN 0.357 nan 8.150 nan 0.000 0.442 344 H N -0.800 118.289 119.070 0.031 0.000 2.319 344 H HA -0.101 4.488 4.556 0.055 0.000 0.299 344 H C 2.074 177.428 175.328 0.043 0.000 1.092 344 H CA 1.428 57.501 56.048 0.041 0.000 1.302 344 H CB -0.110 29.679 29.762 0.045 0.000 1.373 344 H HN 0.449 nan 8.280 nan 0.000 0.497 345 I N 0.979 121.662 120.570 0.189 0.000 2.179 345 I HA -0.246 3.957 4.170 0.055 0.000 0.242 345 I C 2.283 178.457 176.117 0.094 0.000 1.088 345 I CA 1.428 62.809 61.300 0.134 0.000 1.357 345 I CB -0.136 37.959 38.000 0.159 0.000 1.051 345 I HN 0.296 nan 8.210 nan 0.000 0.409 346 E N 0.165 120.421 120.200 0.095 0.000 2.107 346 E HA -0.249 4.134 4.350 0.055 0.000 0.191 346 E C 1.846 178.476 176.600 0.050 0.000 0.982 346 E CA 1.177 57.618 56.400 0.068 0.000 0.809 346 E CB -0.152 29.589 29.700 0.068 0.000 0.756 346 E HN 0.480 nan 8.360 nan 0.000 0.459 347 D N 0.687 121.118 120.400 0.051 0.000 2.104 347 D HA -0.184 4.490 4.640 0.055 0.000 0.194 347 D C 1.944 178.248 176.300 0.006 0.000 0.994 347 D CA 1.416 55.430 54.000 0.025 0.000 0.830 347 D CB 0.128 40.934 40.800 0.010 0.000 0.959 347 D HN 0.127 nan 8.370 nan 0.000 0.452 348 A N 0.578 123.400 122.820 0.004 0.000 1.873 348 A HA -0.087 4.266 4.320 0.055 0.000 0.215 348 A C 2.655 180.232 177.584 -0.011 0.000 1.186 348 A CA 1.392 53.415 52.037 -0.023 0.000 0.616 348 A CB -0.792 18.186 19.000 -0.037 0.000 0.823 348 A HN 0.237 nan 8.150 nan 0.000 0.442 349 V N 0.890 120.809 119.914 0.009 0.000 2.343 349 V HA -0.238 3.916 4.120 0.055 0.000 0.247 349 V C 3.001 179.101 176.094 0.009 0.000 1.051 349 V CA 2.363 64.670 62.300 0.012 0.000 1.036 349 V CB -0.901 30.937 31.823 0.025 0.000 0.654 349 V HN 0.826 nan 8.190 nan 0.000 0.451 350 S N 0.106 115.814 115.700 0.013 0.000 2.419 350 S HA -0.234 4.269 4.470 0.055 0.000 0.235 350 S C 1.719 176.323 174.600 0.006 0.000 1.019 350 S CA 1.528 59.735 58.200 0.012 0.000 0.982 350 S CB -0.441 62.769 63.200 0.016 0.000 0.789 350 S HN 0.653 nan 8.310 nan 0.000 0.490 351 K N 0.413 120.813 120.400 -0.000 0.000 2.417 351 K HA 0.341 4.694 4.320 0.055 0.000 0.196 351 K C 1.165 177.759 176.600 -0.010 0.000 1.023 351 K CA 0.381 56.665 56.287 -0.005 0.000 1.122 351 K CB 0.139 32.633 32.500 -0.010 0.000 0.850 351 K HN 0.554 nan 8.250 nan 0.000 0.521 352 G N 0.356 109.151 108.800 -0.009 0.000 2.184 352 G HA2 -0.233 3.760 3.960 0.055 0.000 0.206 352 G HA3 -0.233 3.760 3.960 0.055 0.000 0.206 352 G C 0.256 175.148 174.900 -0.015 0.000 0.995 352 G CA -0.182 44.912 45.100 -0.010 0.000 0.651 352 G HN 0.416 nan 8.290 nan 0.000 0.511 353 A N 0.161 122.967 122.820 -0.023 0.000 2.386 353 A HA 0.638 4.991 4.320 0.055 0.000 0.246 353 A C 0.456 178.039 177.584 -0.001 0.000 1.089 353 A CA 0.469 52.492 52.037 -0.024 0.000 0.790 353 A CB 0.359 19.331 19.000 -0.047 0.000 1.042 353 A HN 0.396 nan 8.150 nan 0.000 0.497 354 K N 0.736 121.143 120.400 0.011 0.000 2.358 354 K HA 0.377 4.731 4.320 0.055 0.000 0.260 354 K C -1.414 175.203 176.600 0.027 0.000 0.956 354 K CA -0.719 55.581 56.287 0.021 0.000 0.834 354 K CB 1.882 34.399 32.500 0.027 0.000 1.102 354 K HN 0.466 nan 8.250 nan 0.000 0.431 355 L N 5.845 127.085 121.223 0.028 0.000 2.433 355 L HA 0.149 4.522 4.340 0.055 0.000 0.284 355 L C 0.687 177.571 176.870 0.024 0.000 1.120 355 L CA 0.248 55.108 54.840 0.034 0.000 0.879 355 L CB -0.169 41.914 42.059 0.040 0.000 1.232 355 L HN 0.737 nan 8.230 nan 0.000 0.454 356 I N 1.160 121.744 120.570 0.024 0.000 3.226 356 I HA 0.246 4.449 4.170 0.055 0.000 0.277 356 I C 0.628 176.745 176.117 -0.001 0.000 1.243 356 I CA 0.409 61.718 61.300 0.014 0.000 1.459 356 I CB -0.029 37.983 38.000 0.019 0.000 1.093 356 I HN 0.629 nan 8.210 nan 0.000 0.453 357 T N -0.490 114.064 114.554 0.000 0.000 3.047 357 T HA 0.546 4.929 4.350 0.055 0.000 0.340 357 T C 0.121 174.810 174.700 -0.018 0.000 1.421 357 T CA 0.142 62.230 62.100 -0.019 0.000 1.090 357 T CB 0.964 69.811 68.868 -0.036 0.000 1.292 357 T HN 0.978 nan 8.240 nan 0.000 0.480 358 G N 2.598 111.369 108.800 -0.048 0.000 2.566 358 G HA2 0.239 4.232 3.960 0.055 0.000 0.280 358 G HA3 0.239 4.232 3.960 0.055 0.000 0.280 358 G C 1.123 175.976 174.900 -0.079 0.000 1.225 358 G CA 1.250 46.301 45.100 -0.082 0.000 0.966 358 G HN 2.673 nan 8.290 nan 0.000 0.560 359 G N -1.615 107.122 108.800 -0.104 0.000 2.246 359 G HA2 -0.004 3.989 3.960 0.055 0.000 0.273 359 G HA3 -0.004 3.989 3.960 0.055 0.000 0.273 359 G C 0.119 174.817 174.900 -0.336 0.000 1.055 359 G CA 1.661 46.731 45.100 -0.049 0.000 0.851 359 G HN 1.066 nan 8.290 nan 0.000 0.500 360 K N -0.024 119.945 120.400 -0.720 0.000 2.385 360 K HA 0.418 4.772 4.320 0.055 0.000 0.248 360 K C 0.177 176.270 176.600 -0.844 0.000 0.955 360 K CA -0.884 55.066 56.287 -0.563 0.000 0.816 360 K CB 1.811 34.153 32.500 -0.263 0.000 1.250 360 K HN 0.401 nan 8.250 nan 0.000 0.434 361 E N 1.654 121.638 120.200 -0.360 0.000 2.384 361 E HA 0.046 4.429 4.350 0.055 0.000 0.266 361 E C 0.414 176.972 176.600 -0.071 0.000 1.012 361 E CA 0.126 56.475 56.400 -0.085 0.000 0.901 361 E CB 0.519 30.290 29.700 0.119 0.000 0.967 361 E HN 0.325 nan 8.360 nan 0.000 0.435 362 L N 2.192 123.419 121.223 0.006 0.000 2.766 362 L HA 0.306 4.679 4.340 0.055 0.000 0.242 362 L C 0.602 177.504 176.870 0.053 0.000 1.136 362 L CA -0.065 54.776 54.840 0.002 0.000 0.933 362 L CB 0.202 42.253 42.059 -0.013 0.000 1.241 362 L HN 0.783 nan 8.230 nan 0.000 0.522 363 G N -0.717 108.148 108.800 0.107 0.000 2.770 363 G HA2 0.244 4.237 3.960 0.055 0.000 0.686 363 G HA3 0.244 4.237 3.960 0.055 0.000 0.686 363 G C 0.264 175.286 174.900 0.205 0.000 1.180 363 G CA -0.557 44.613 45.100 0.116 0.000 0.767 363 G HN 0.498 nan 8.290 nan 0.000 0.646 364 G N -0.155 108.730 108.800 0.141 0.000 2.634 364 G HA2 -0.168 3.826 3.960 0.055 0.000 0.309 364 G HA3 -0.168 3.826 3.960 0.055 0.000 0.309 364 G C 1.133 176.078 174.900 0.075 0.000 1.265 364 G CA 0.996 46.164 45.100 0.115 0.000 0.998 364 G HN 1.697 nan 8.290 nan 0.000 0.551 365 L N 0.339 121.540 121.223 -0.036 0.000 2.700 365 L HA 0.417 4.790 4.340 0.055 0.000 0.234 365 L C 0.212 176.969 176.870 -0.188 0.000 1.156 365 L CA -0.370 54.382 54.840 -0.147 0.000 0.946 365 L CB -0.043 41.866 42.059 -0.250 0.000 1.216 365 L HN 0.208 nan 8.230 nan 0.000 0.493 366 F N -0.256 119.736 119.950 0.070 0.000 2.396 366 F HA 0.343 4.903 4.527 0.056 0.000 0.343 366 F C -0.047 175.852 175.800 0.164 0.000 1.104 366 F CA -0.218 57.834 58.000 0.087 0.000 1.161 366 F CB 0.890 39.910 39.000 0.032 0.000 1.146 366 F HN -0.221 nan 8.300 nan 0.000 0.522 367 F N 2.111 122.164 119.950 0.172 0.000 2.569 367 F HA 0.329 4.889 4.527 0.056 0.000 0.312 367 F C -0.355 175.503 175.800 0.097 0.000 1.109 367 F CA -0.914 57.148 58.000 0.103 0.000 0.919 367 F CB 1.417 40.451 39.000 0.056 0.000 1.211 367 F HN 0.455 nan 8.300 nan 0.000 0.446 368 E N 6.327 126.274 120.200 -0.422 0.000 2.290 368 E HA 0.269 4.652 4.350 0.055 0.000 0.277 368 E C -2.382 174.185 176.600 -0.056 0.000 1.035 368 E CA -1.928 54.340 56.400 -0.220 0.000 0.873 368 E CB 0.853 30.381 29.700 -0.286 0.000 1.029 368 E HN 0.220 nan 8.360 nan 0.000 0.419 369 P HA 0.068 nan 4.420 nan 0.000 0.266 369 P C -0.630 176.715 177.300 0.075 0.000 1.195 369 P CA 0.133 63.302 63.100 0.116 0.000 0.768 369 P CB 0.961 32.588 31.700 -0.121 0.000 0.838 370 G N 1.499 110.424 108.800 0.209 0.000 2.695 370 G HA2 0.754 4.747 3.960 0.055 0.000 0.290 370 G HA3 0.754 4.747 3.960 0.055 0.000 0.290 370 G C -1.742 173.262 174.900 0.172 0.000 1.410 370 G CA -0.605 44.578 45.100 0.138 0.000 0.844 370 G HN 0.378 nan 8.290 nan 0.000 0.478 371 I N 0.110 120.742 120.570 0.103 0.000 2.569 371 I HA 0.398 4.601 4.170 0.055 0.000 0.290 371 I C -0.868 175.287 176.117 0.063 0.000 1.088 371 I CA -0.631 60.721 61.300 0.087 0.000 1.047 371 I CB 2.402 40.433 38.000 0.053 0.000 1.237 371 I HN 0.135 nan 8.210 nan 0.000 0.421 372 L N 4.894 126.151 121.223 0.056 0.000 2.325 372 L HA 0.608 4.982 4.340 0.055 0.000 0.278 372 L C 0.286 177.182 176.870 0.045 0.000 1.023 372 L CA -0.462 54.401 54.840 0.038 0.000 0.811 372 L CB 2.075 44.141 42.059 0.012 0.000 1.249 372 L HN 0.634 nan 8.230 nan 0.000 0.431 373 T N -1.953 112.642 114.554 0.069 0.000 2.952 373 T HA 0.625 5.008 4.350 0.055 0.000 0.286 373 T C 0.787 175.544 174.700 0.094 0.000 1.024 373 T CA -0.102 62.091 62.100 0.155 0.000 1.029 373 T CB 1.696 70.696 68.868 0.220 0.000 1.094 373 T HN 0.969 nan 8.240 nan 0.000 0.515 374 G N 0.211 109.086 108.800 0.124 0.000 2.160 374 G HA2 -0.181 3.812 3.960 0.055 0.000 0.244 374 G HA3 -0.181 3.812 3.960 0.055 0.000 0.244 374 G C -0.027 174.818 174.900 -0.093 0.000 1.022 374 G CA -0.058 45.033 45.100 -0.014 0.000 0.741 374 G HN 1.058 nan 8.290 nan 0.000 0.508 375 V N 1.229 121.029 119.914 -0.190 0.000 2.583 375 V HA 0.719 4.872 4.120 0.055 0.000 0.287 375 V C 0.979 176.751 176.094 -0.537 0.000 1.051 375 V CA 0.602 62.609 62.300 -0.488 0.000 1.010 375 V CB 1.342 32.647 31.823 -0.863 0.000 0.988 375 V HN 0.893 nan 8.190 nan 0.000 0.478 376 T N -0.320 114.019 114.554 -0.358 0.000 2.887 376 T HA 0.329 4.712 4.350 0.055 0.000 0.292 376 T C 0.970 175.775 174.700 0.175 0.000 1.087 376 T CA 0.035 62.128 62.100 -0.011 0.000 1.009 376 T CB 1.646 70.528 68.868 0.024 0.000 1.203 376 T HN 0.674 nan 8.240 nan 0.000 0.518 377 S N -0.022 115.871 115.700 0.321 0.000 2.500 377 S HA -0.133 4.370 4.470 0.055 0.000 0.239 377 S C 1.300 176.010 174.600 0.183 0.000 0.989 377 S CA 1.136 59.528 58.200 0.320 0.000 0.951 377 S CB -0.729 62.619 63.200 0.246 0.000 0.759 377 S HN 0.891 nan 8.310 nan 0.000 0.523 378 D N 0.515 120.983 120.400 0.114 0.000 2.340 378 D HA 0.057 4.730 4.640 0.055 0.000 0.220 378 D C 0.523 176.851 176.300 0.047 0.000 1.039 378 D CA -0.038 54.004 54.000 0.070 0.000 0.866 378 D CB -0.244 40.585 40.800 0.048 0.000 0.913 378 D HN 0.408 nan 8.370 nan 0.000 0.523 379 M N 0.391 120.016 119.600 0.041 0.000 2.255 379 M HA 0.094 4.607 4.480 0.055 0.000 0.336 379 M C 1.168 177.465 176.300 -0.004 0.000 1.135 379 M CA -0.826 54.471 55.300 -0.005 0.000 1.145 379 M CB 1.931 34.494 32.600 -0.062 0.000 1.473 379 M HN -0.165 nan 8.290 nan 0.000 0.462 380 L N 3.114 124.293 121.223 -0.073 0.000 2.079 380 L HA -0.102 4.271 4.340 0.055 0.000 0.210 380 L C 1.902 178.648 176.870 -0.207 0.000 1.081 380 L CA 1.878 56.636 54.840 -0.138 0.000 0.752 380 L CB -0.543 41.392 42.059 -0.207 0.000 0.896 380 L HN 0.678 nan 8.230 nan 0.000 0.433 381 V N -0.118 119.642 119.914 -0.255 0.000 2.720 381 V HA -0.190 3.963 4.120 0.055 0.000 0.256 381 V C 2.592 178.779 176.094 0.155 0.000 1.082 381 V CA 1.404 63.627 62.300 -0.127 0.000 1.101 381 V CB -0.592 31.231 31.823 -0.001 0.000 0.693 381 V HN 0.629 nan 8.190 nan 0.000 0.479 382 A N -0.853 122.103 122.820 0.227 0.000 2.015 382 A HA -0.111 4.243 4.320 0.055 0.000 0.219 382 A C 2.202 179.901 177.584 0.192 0.000 1.163 382 A CA 1.513 53.730 52.037 0.300 0.000 0.646 382 A CB -0.197 19.008 19.000 0.342 0.000 0.806 382 A HN 0.481 nan 8.150 nan 0.000 0.448 383 K N -1.010 119.481 120.400 0.151 0.000 2.425 383 K HA 0.193 4.546 4.320 0.055 0.000 0.201 383 K C 0.220 176.950 176.600 0.217 0.000 1.128 383 K CA 0.191 56.578 56.287 0.166 0.000 1.000 383 K CB 0.745 33.316 32.500 0.119 0.000 0.961 383 K HN 0.682 nan 8.250 nan 0.000 0.555 384 E N 1.158 121.468 120.200 0.184 0.000 2.256 384 E HA 0.174 4.558 4.350 0.055 0.000 0.267 384 E C -1.194 175.593 176.600 0.313 0.000 0.892 384 E CA -0.400 56.148 56.400 0.246 0.000 0.775 384 E CB 1.702 31.544 29.700 0.236 0.000 1.207 384 E HN -0.071 nan 8.360 nan 0.000 0.420 385 E N 1.709 122.058 120.200 0.247 0.000 2.324 385 E HA 0.053 4.436 4.350 0.055 0.000 0.271 385 E C 0.201 176.964 176.600 0.272 0.000 1.028 385 E CA 0.104 56.642 56.400 0.230 0.000 0.890 385 E CB 1.099 30.884 29.700 0.142 0.000 1.004 385 E HN 0.562 nan 8.360 nan 0.000 0.431 386 T N 3.416 118.116 114.554 0.244 0.000 2.857 386 T HA -0.129 4.255 4.350 0.055 0.000 0.266 386 T C 0.683 175.423 174.700 0.067 0.000 1.048 386 T CA 0.280 62.371 62.100 -0.016 0.000 1.139 386 T CB -0.219 68.697 68.868 0.081 0.000 0.874 386 T HN 0.667 nan 8.240 nan 0.000 0.455 387 F N 1.013 120.938 119.950 -0.042 0.000 3.090 387 F HA -0.182 4.378 4.527 0.055 0.000 0.282 387 F C 0.744 176.534 175.800 -0.017 0.000 0.923 387 F CA 0.241 58.235 58.000 -0.009 0.000 0.977 387 F CB -1.085 37.932 39.000 0.030 0.000 0.954 387 F HN 0.371 nan 8.300 nan 0.000 0.695 388 G N -0.549 108.226 108.800 -0.042 0.000 2.649 388 G HA2 0.573 4.566 3.960 0.055 0.000 0.290 388 G HA3 0.573 4.566 3.960 0.055 0.000 0.290 388 G C -3.076 171.804 174.900 -0.033 0.000 1.426 388 G CA -0.804 44.263 45.100 -0.054 0.000 0.794 388 G HN -0.194 nan 8.290 nan 0.000 0.483 389 P HA 0.267 nan 4.420 nan 0.000 0.226 389 P C -0.893 176.550 177.300 0.239 0.000 1.783 389 P CA -0.033 63.169 63.100 0.171 0.000 0.980 389 P CB 0.233 32.139 31.700 0.342 0.000 1.967 390 L N 1.454 122.719 121.223 0.069 0.000 2.381 390 L HA 0.718 5.091 4.340 0.055 0.000 0.274 390 L C -0.857 176.011 176.870 -0.003 0.000 0.988 390 L CA -0.940 53.966 54.840 0.110 0.000 0.824 390 L CB 2.126 44.260 42.059 0.124 0.000 1.263 390 L HN 0.087 nan 8.230 nan 0.000 0.410 391 A N 6.747 129.588 122.820 0.035 0.000 2.273 391 A HA 0.819 5.172 4.320 0.055 0.000 0.320 391 A C -2.637 174.977 177.584 0.050 0.000 1.358 391 A CA -1.315 50.718 52.037 -0.005 0.000 0.910 391 A CB -0.031 18.988 19.000 0.031 0.000 1.159 391 A HN 0.468 nan 8.150 nan 0.000 0.526 392 P HA 0.435 nan 4.420 nan 0.000 0.297 392 P C -0.889 176.463 177.300 0.087 0.000 1.331 392 P CA -0.170 62.954 63.100 0.041 0.000 0.803 392 P CB 1.097 32.826 31.700 0.049 0.000 0.929 393 L N 4.597 125.845 121.223 0.043 0.000 2.262 393 L HA 0.455 4.828 4.340 0.055 0.000 0.288 393 L C -0.062 176.934 176.870 0.210 0.000 1.035 393 L CA -0.564 54.351 54.840 0.126 0.000 0.820 393 L CB 0.139 42.209 42.059 0.018 0.000 1.204 393 L HN 0.252 nan 8.230 nan 0.000 0.424 394 F N 2.113 122.108 119.950 0.075 0.000 2.405 394 F HA 0.512 5.073 4.527 0.056 0.000 0.355 394 F C 0.950 176.975 175.800 0.375 0.000 1.121 394 F CA -0.620 57.457 58.000 0.129 0.000 1.112 394 F CB 1.427 40.331 39.000 -0.160 0.000 1.126 394 F HN 0.522 nan 8.300 nan 0.000 0.481 395 A N 4.847 127.936 122.820 0.449 0.000 2.407 395 A HA 0.593 4.947 4.320 0.055 0.000 0.248 395 A C -0.774 177.061 177.584 0.419 0.000 1.082 395 A CA -0.108 52.101 52.037 0.288 0.000 0.785 395 A CB 0.034 18.918 19.000 -0.193 0.000 1.020 395 A HN 0.763 nan 8.150 nan 0.000 0.489 396 F N -0.975 119.082 119.950 0.179 0.000 2.626 396 F HA 0.656 5.217 4.527 0.056 0.000 0.311 396 F C -0.302 175.542 175.800 0.074 0.000 1.088 396 F CA -1.058 57.013 58.000 0.118 0.000 0.949 396 F CB 1.222 40.278 39.000 0.093 0.000 1.322 396 F HN 0.388 nan 8.300 nan 0.000 0.461 397 D N 0.036 120.546 120.400 0.183 0.000 2.490 397 D HA 0.088 4.761 4.640 0.055 0.000 0.244 397 D C 0.609 177.022 176.300 0.188 0.000 0.979 397 D CA 1.707 55.746 54.000 0.066 0.000 0.924 397 D CB 0.472 41.318 40.800 0.076 0.000 1.075 397 D HN 0.694 nan 8.370 nan 0.000 0.488 398 T N -2.047 112.718 114.554 0.351 0.000 2.908 398 T HA 0.335 4.719 4.350 0.055 0.000 0.290 398 T C 0.865 175.783 174.700 0.363 0.000 1.034 398 T CA -0.755 61.530 62.100 0.309 0.000 1.010 398 T CB 2.995 71.960 68.868 0.162 0.000 1.068 398 T HN -0.082 nan 8.240 nan 0.000 0.481 399 E N 0.849 121.249 120.200 0.332 0.000 2.058 399 E HA -0.266 4.117 4.350 0.055 0.000 0.194 399 E C 1.720 178.353 176.600 0.054 0.000 0.997 399 E CA 1.755 58.319 56.400 0.274 0.000 0.801 399 E CB -0.083 29.738 29.700 0.202 0.000 0.746 399 E HN 0.879 nan 8.360 nan 0.000 0.450 400 E N 0.534 120.754 120.200 0.034 0.000 2.070 400 E HA -0.300 4.084 4.350 0.055 0.000 0.197 400 E C 2.126 178.693 176.600 -0.055 0.000 1.004 400 E CA 1.678 58.066 56.400 -0.020 0.000 0.805 400 E CB -0.164 29.534 29.700 -0.003 0.000 0.744 400 E HN 0.398 nan 8.360 nan 0.000 0.451 401 E N 0.044 120.230 120.200 -0.023 0.000 2.051 401 E HA -0.173 4.210 4.350 0.055 0.000 0.192 401 E C 2.194 178.673 176.600 -0.201 0.000 0.991 401 E CA 1.257 57.627 56.400 -0.050 0.000 0.799 401 E CB -0.067 29.660 29.700 0.047 0.000 0.748 401 E HN 0.239 nan 8.360 nan 0.000 0.449 402 V N 1.038 120.738 119.914 -0.355 0.000 2.407 402 V HA -0.213 3.940 4.120 0.055 0.000 0.248 402 V C 2.264 178.017 176.094 -0.568 0.000 1.055 402 V CA 1.431 63.281 62.300 -0.751 0.000 1.049 402 V CB -0.259 30.636 31.823 -1.547 0.000 0.662 402 V HN 0.340 nan 8.190 nan 0.000 0.455 403 I N -0.056 120.310 120.570 -0.341 0.000 2.252 403 I HA -0.187 4.016 4.170 0.055 0.000 0.245 403 I C 2.675 178.667 176.117 -0.209 0.000 1.102 403 I CA 1.360 62.510 61.300 -0.251 0.000 1.385 403 I CB -0.660 37.238 38.000 -0.170 0.000 1.064 403 I HN 0.363 nan 8.210 nan 0.000 0.414 404 A N 0.323 123.036 122.820 -0.178 0.000 1.883 404 A HA -0.296 4.057 4.320 0.055 0.000 0.217 404 A C 2.236 179.730 177.584 -0.151 0.000 1.186 404 A CA 1.855 53.813 52.037 -0.132 0.000 0.624 404 A CB -0.717 18.228 19.000 -0.092 0.000 0.822 404 A HN 0.464 nan 8.150 nan 0.000 0.444 405 Q N -0.941 118.716 119.800 -0.238 0.000 2.079 405 Q HA -0.027 4.346 4.340 0.055 0.000 0.200 405 Q C 2.440 178.293 176.000 -0.246 0.000 0.974 405 Q CA 1.211 56.871 55.803 -0.239 0.000 0.840 405 Q CB -0.385 28.160 28.738 -0.322 0.000 0.898 405 Q HN 0.691 nan 8.270 nan 0.000 0.430 406 A N 1.549 124.140 122.820 -0.382 0.000 1.917 406 A HA -0.220 4.133 4.320 0.055 0.000 0.219 406 A C 1.644 179.271 177.584 0.072 0.000 1.182 406 A CA 1.759 53.690 52.037 -0.177 0.000 0.633 406 A CB -0.441 18.421 19.000 -0.230 0.000 0.819 406 A HN 0.304 nan 8.150 nan 0.000 0.448 407 N N 0.073 118.774 118.700 0.002 0.000 2.467 407 N HA -0.018 4.755 4.740 0.055 0.000 0.184 407 N C -0.094 175.396 175.510 -0.032 0.000 1.106 407 N CA 0.552 53.598 53.050 -0.007 0.000 0.892 407 N CB -0.151 38.303 38.487 -0.055 0.000 0.969 407 N HN 0.435 nan 8.380 nan 0.000 0.454 408 D N 0.798 121.188 120.400 -0.016 0.000 2.688 408 D HA 0.088 4.761 4.640 0.055 0.000 0.228 408 D C -0.707 175.603 176.300 0.017 0.000 1.116 408 D CA 0.184 54.177 54.000 -0.012 0.000 1.023 408 D CB -0.226 40.569 40.800 -0.008 0.000 1.100 408 D HN -0.079 nan 8.370 nan 0.000 0.487 409 T N 0.377 114.925 114.554 -0.009 0.000 2.886 409 T HA 0.202 4.585 4.350 0.055 0.000 0.330 409 T C 1.214 175.843 174.700 -0.119 0.000 1.488 409 T CA -0.731 61.371 62.100 0.003 0.000 1.054 409 T CB 0.552 69.511 68.868 0.152 0.000 1.348 409 T HN 0.159 nan 8.240 nan 0.000 0.489 410 I N 0.244 120.647 120.570 -0.277 0.000 3.111 410 I HA 0.359 4.563 4.170 0.055 0.000 0.272 410 I C -0.247 175.595 176.117 -0.458 0.000 1.268 410 I CA 0.332 61.373 61.300 -0.432 0.000 1.467 410 I CB -0.259 37.383 38.000 -0.597 0.000 1.087 410 I HN 0.208 nan 8.210 nan 0.000 0.467 411 F N 1.535 121.460 119.950 -0.042 0.000 2.461 411 F HA 0.739 5.298 4.527 0.054 0.000 0.332 411 F C 1.040 176.728 175.800 -0.186 0.000 1.073 411 F CA -0.926 57.049 58.000 -0.042 0.000 1.017 411 F CB 1.331 40.360 39.000 0.049 0.000 1.301 411 F HN -0.136 nan 8.300 nan 0.000 0.492 412 G N 0.612 109.443 108.800 0.052 0.000 4.918 412 G HA2 0.248 4.241 3.960 0.055 0.000 0.220 412 G HA3 0.248 4.241 3.960 0.055 0.000 0.220 412 G C -0.446 174.475 174.900 0.036 0.000 2.090 412 G CA -0.204 44.704 45.100 -0.321 0.000 0.632 412 G HN 0.487 nan 8.290 nan 0.000 0.234 413 L N 1.024 122.404 121.223 0.262 0.000 2.140 413 L HA 0.862 5.235 4.340 0.055 0.000 0.201 413 L C 1.365 178.373 176.870 0.231 0.000 1.191 413 L CA 1.650 56.612 54.840 0.202 0.000 0.825 413 L CB -0.321 41.830 42.059 0.154 0.000 0.970 413 L HN 0.381 nan 8.230 nan 0.000 0.477 414 A N -1.115 121.803 122.820 0.162 0.000 2.340 414 A HA 0.851 5.204 4.320 0.055 0.000 0.331 414 A C -0.997 176.336 177.584 -0.418 0.000 1.140 414 A CA 0.068 52.036 52.037 -0.114 0.000 0.801 414 A CB 1.085 20.003 19.000 -0.136 0.000 1.234 414 A HN 0.575 nan 8.150 nan 0.000 0.469 415 A N 0.521 122.919 122.820 -0.704 0.000 2.556 415 A HA 0.855 5.209 4.320 0.055 0.000 0.294 415 A C -1.636 175.504 177.584 -0.739 0.000 1.091 415 A CA -0.477 51.102 52.037 -0.764 0.000 0.704 415 A CB 1.020 19.439 19.000 -0.969 0.000 1.300 415 A HN 0.956 nan 8.150 nan 0.000 0.406 416 Y N -0.606 119.628 120.300 -0.109 0.000 2.524 416 Y HA 0.690 5.274 4.550 0.057 0.000 0.347 416 Y C -0.523 175.308 175.900 -0.115 0.000 1.005 416 Y CA -0.808 57.203 58.100 -0.147 0.000 1.025 416 Y CB 2.123 40.410 38.460 -0.289 0.000 1.275 416 Y HN 0.841 nan 8.280 nan 0.000 0.460 417 F N -0.624 119.241 119.950 -0.142 0.000 2.641 417 F HA 0.748 5.307 4.527 0.054 0.000 0.308 417 F C -2.366 173.457 175.800 0.039 0.000 1.105 417 F CA -1.651 56.321 58.000 -0.047 0.000 0.964 417 F CB 1.446 40.498 39.000 0.087 0.000 1.294 417 F HN 0.391 nan 8.300 nan 0.000 0.442 418 Y N 1.146 121.495 120.300 0.081 0.000 2.341 418 Y HA 0.651 5.235 4.550 0.057 0.000 0.338 418 Y C 0.083 176.197 175.900 0.357 0.000 0.965 418 Y CA -0.604 57.545 58.100 0.082 0.000 1.108 418 Y CB 2.294 40.788 38.460 0.057 0.000 1.180 418 Y HN 0.965 nan 8.280 nan 0.000 0.458 419 T N 2.111 116.882 114.554 0.361 0.000 2.957 419 T HA 0.194 4.577 4.350 0.055 0.000 0.336 419 T C -0.195 174.655 174.700 0.249 0.000 1.462 419 T CA -0.630 61.671 62.100 0.336 0.000 1.073 419 T CB 1.236 70.247 68.868 0.238 0.000 1.319 419 T HN 0.669 nan 8.240 nan 0.000 0.485 420 E N 1.857 122.166 120.200 0.181 0.000 2.472 420 E HA 0.080 4.463 4.350 0.055 0.000 0.196 420 E C 0.511 177.196 176.600 0.141 0.000 1.033 420 E CA -0.081 56.405 56.400 0.143 0.000 0.886 420 E CB 0.229 29.997 29.700 0.114 0.000 0.944 420 E HN 0.517 nan 8.360 nan 0.000 0.492 421 N N 0.772 119.542 118.700 0.116 0.000 2.444 421 N HA -0.012 4.762 4.740 0.055 0.000 0.271 421 N C 0.485 176.059 175.510 0.108 0.000 1.069 421 N CA -0.115 52.993 53.050 0.097 0.000 0.965 421 N CB 0.715 39.221 38.487 0.031 0.000 1.092 421 N HN -0.116 nan 8.380 nan 0.000 0.476 422 F N 4.067 124.029 119.950 0.020 0.000 2.046 422 F HA -0.203 4.356 4.527 0.053 0.000 0.297 422 F C 2.320 178.109 175.800 -0.019 0.000 1.123 422 F CA 1.603 59.612 58.000 0.014 0.000 1.199 422 F CB -0.379 38.628 39.000 0.013 0.000 0.972 422 F HN 0.497 nan 8.300 nan 0.000 0.474 423 S N 0.315 116.035 115.700 0.032 0.000 2.374 423 S HA -0.281 4.223 4.470 0.055 0.000 0.227 423 S C 2.140 176.613 174.600 -0.212 0.000 1.037 423 S CA 1.646 59.789 58.200 -0.096 0.000 1.024 423 S CB -0.512 62.705 63.200 0.029 0.000 0.861 423 S HN 0.438 nan 8.310 nan 0.000 0.456 424 R N 0.917 121.306 120.500 -0.184 0.000 2.148 424 R HA 0.014 4.387 4.340 0.055 0.000 0.223 424 R C 2.315 178.448 176.300 -0.277 0.000 1.088 424 R CA 1.033 56.978 56.100 -0.260 0.000 0.985 424 R CB -0.398 29.702 30.300 -0.334 0.000 0.880 424 R HN 0.367 nan 8.270 nan 0.000 0.451 425 A N 1.667 124.340 122.820 -0.244 0.000 1.883 425 A HA -0.180 4.174 4.320 0.055 0.000 0.217 425 A C 1.976 179.379 177.584 -0.303 0.000 1.186 425 A CA 1.390 53.260 52.037 -0.280 0.000 0.624 425 A CB -0.439 18.276 19.000 -0.474 0.000 0.822 425 A HN 0.260 nan 8.150 nan 0.000 0.444 426 I N -0.100 120.222 120.570 -0.414 0.000 2.099 426 I HA -0.225 3.978 4.170 0.055 0.000 0.239 426 I C 2.604 178.565 176.117 -0.259 0.000 1.066 426 I CA 1.563 62.662 61.300 -0.334 0.000 1.324 426 I CB -1.568 36.218 38.000 -0.357 0.000 1.037 426 I HN 0.352 nan 8.210 nan 0.000 0.401 427 R N 0.153 120.498 120.500 -0.259 0.000 2.080 427 R HA -0.124 4.249 4.340 0.055 0.000 0.236 427 R C 2.341 178.470 176.300 -0.285 0.000 1.137 427 R CA 1.484 57.447 56.100 -0.229 0.000 0.943 427 R CB -0.653 29.523 30.300 -0.206 0.000 0.846 427 R HN 0.233 nan 8.270 nan 0.000 0.431 428 V N 1.199 120.858 119.914 -0.425 0.000 2.379 428 V HA -0.231 3.923 4.120 0.055 0.000 0.245 428 V C 2.588 178.311 176.094 -0.620 0.000 1.044 428 V CA 2.036 63.971 62.300 -0.608 0.000 1.036 428 V CB -0.469 30.753 31.823 -1.001 0.000 0.664 428 V HN 0.482 nan 8.190 nan 0.000 0.453 429 S N 0.301 115.681 115.700 -0.533 0.000 2.370 429 S HA -0.273 4.230 4.470 0.055 0.000 0.226 429 S C 1.793 176.301 174.600 -0.153 0.000 1.033 429 S CA 1.871 59.952 58.200 -0.197 0.000 1.011 429 S CB -0.495 62.714 63.200 0.015 0.000 0.852 429 S HN 0.729 nan 8.310 nan 0.000 0.457 430 E N 1.604 121.705 120.200 -0.166 0.000 2.107 430 E HA 0.108 4.491 4.350 0.055 0.000 0.191 430 E C 2.379 178.910 176.600 -0.114 0.000 0.982 430 E CA 0.822 57.150 56.400 -0.119 0.000 0.809 430 E CB -0.342 29.291 29.700 -0.111 0.000 0.756 430 E HN 0.715 nan 8.360 nan 0.000 0.459 431 A N 1.132 123.864 122.820 -0.147 0.000 2.066 431 A HA -0.017 4.336 4.320 0.055 0.000 0.218 431 A C 1.192 178.718 177.584 -0.097 0.000 1.157 431 A CA 0.298 52.260 52.037 -0.125 0.000 0.670 431 A CB -0.308 18.603 19.000 -0.149 0.000 0.804 431 A HN 0.090 nan 8.150 nan 0.000 0.453 432 L N 1.324 122.493 121.223 -0.090 0.000 2.418 432 L HA 0.075 4.448 4.340 0.055 0.000 0.274 432 L C -0.001 176.929 176.870 0.099 0.000 1.135 432 L CA -0.129 54.734 54.840 0.039 0.000 0.870 432 L CB 0.639 42.706 42.059 0.014 0.000 1.154 432 L HN 0.336 nan 8.230 nan 0.000 0.462 433 E N 4.606 124.833 120.200 0.045 0.000 1.979 433 E HA 0.185 4.568 4.350 0.055 0.000 0.285 433 E C -1.425 174.884 176.600 -0.486 0.000 1.188 433 E CA -0.009 56.285 56.400 -0.178 0.000 1.214 433 E CB 0.109 29.673 29.700 -0.226 0.000 1.210 433 E HN 0.340 nan 8.360 nan 0.000 0.477 434 Y N -1.470 118.791 120.300 -0.066 0.000 2.534 434 Y HA 0.311 4.894 4.550 0.054 0.000 0.345 434 Y C 1.253 177.106 175.900 -0.078 0.000 1.031 434 Y CA -0.983 57.079 58.100 -0.063 0.000 1.022 434 Y CB 1.786 40.196 38.460 -0.082 0.000 1.292 434 Y HN 0.245 nan 8.280 nan 0.000 0.459 435 G N 1.228 110.061 108.800 0.055 0.000 2.511 435 G HA2 0.078 4.071 3.960 0.055 0.000 0.217 435 G HA3 0.078 4.071 3.960 0.055 0.000 0.217 435 G C 0.072 174.927 174.900 -0.075 0.000 1.133 435 G CA 0.456 45.545 45.100 -0.018 0.000 0.792 435 G HN 0.418 nan 8.290 nan 0.000 0.539 436 M N 0.130 119.684 119.600 -0.078 0.000 2.378 436 M HA 0.452 4.966 4.480 0.055 0.000 0.289 436 M C -1.817 174.370 176.300 -0.187 0.000 1.136 436 M CA -0.503 54.678 55.300 -0.198 0.000 0.917 436 M CB 3.488 35.888 32.600 -0.333 0.000 1.669 436 M HN -0.265 nan 8.290 nan 0.000 0.461 437 V N 1.529 121.338 119.914 -0.174 0.000 2.525 437 V HA 0.666 4.820 4.120 0.055 0.000 0.299 437 V C 0.130 176.144 176.094 -0.133 0.000 1.034 437 V CA -0.747 61.461 62.300 -0.154 0.000 0.863 437 V CB 1.957 33.776 31.823 -0.008 0.000 0.999 437 V HN 1.006 nan 8.190 nan 0.000 0.423 438 G N 2.209 110.893 108.800 -0.193 0.000 2.320 438 G HA2 0.430 4.423 3.960 0.055 0.000 0.300 438 G HA3 0.430 4.423 3.960 0.055 0.000 0.300 438 G C -0.540 174.271 174.900 -0.149 0.000 1.126 438 G CA -0.199 44.875 45.100 -0.044 0.000 0.896 438 G HN 0.860 nan 8.290 nan 0.000 0.436 439 H N 2.981 121.806 119.070 -0.408 0.000 2.595 439 H HA 0.179 4.768 4.556 0.054 0.000 0.313 439 H C 0.212 175.095 175.328 -0.740 0.000 1.023 439 H CA -0.693 54.856 56.048 -0.831 0.000 1.218 439 H CB 0.423 29.734 29.762 -0.752 0.000 1.403 439 H HN 0.564 nan 8.280 nan 0.000 0.477 440 N N 2.611 120.529 118.700 -1.302 0.000 2.782 440 N HA -0.187 4.586 4.740 0.055 0.000 0.251 440 N C -0.774 174.168 175.510 -0.946 0.000 1.101 440 N CA 1.567 53.674 53.050 -1.571 0.000 0.764 440 N CB -1.144 36.731 38.487 -1.019 0.000 1.122 440 N HN 0.690 nan 8.380 nan 0.000 0.561 441 T N -2.513 111.673 114.554 -0.613 0.000 2.982 441 T HA 0.584 4.967 4.350 0.055 0.000 0.321 441 T C 0.854 175.633 174.700 0.131 0.000 1.229 441 T CA 0.055 62.108 62.100 -0.078 0.000 1.044 441 T CB 1.325 70.160 68.868 -0.055 0.000 1.184 441 T HN 0.084 nan 8.240 nan 0.000 0.477 442 G N 2.669 111.617 108.800 0.245 0.000 3.042 442 G HA2 0.354 4.348 3.960 0.055 0.000 0.212 442 G HA3 0.354 4.348 3.960 0.055 0.000 0.212 442 G C 0.085 175.064 174.900 0.131 0.000 1.166 442 G CA 0.030 45.217 45.100 0.145 0.000 0.767 442 G HN 0.592 nan 8.290 nan 0.000 0.546 443 L N 1.395 122.713 121.223 0.158 0.000 2.415 443 L HA 0.421 4.794 4.340 0.055 0.000 0.268 443 L C 0.614 177.571 176.870 0.145 0.000 0.984 443 L CA -0.573 54.348 54.840 0.135 0.000 0.853 443 L CB 1.786 43.886 42.059 0.069 0.000 1.215 443 L HN 0.239 nan 8.230 nan 0.000 0.419 444 I N -2.246 118.450 120.570 0.209 0.000 4.139 444 I HA 0.256 4.459 4.170 0.055 0.000 0.335 444 I C 0.551 176.889 176.117 0.369 0.000 1.327 444 I CA -0.019 61.413 61.300 0.219 0.000 1.112 444 I CB 0.940 39.049 38.000 0.182 0.000 1.058 444 I HN 0.302 nan 8.210 nan 0.000 0.396 445 S N 3.300 119.148 115.700 0.246 0.000 2.505 445 S HA 0.382 4.885 4.470 0.055 0.000 0.276 445 S C -0.298 174.307 174.600 0.009 0.000 1.274 445 S CA -0.307 57.939 58.200 0.076 0.000 1.053 445 S CB 0.178 63.190 63.200 -0.314 0.000 0.919 445 S HN 0.795 nan 8.310 nan 0.000 0.490 446 N N 0.921 119.625 118.700 0.007 0.000 3.308 446 N HA 0.225 4.998 4.740 0.055 0.000 0.276 446 N C -0.045 175.272 175.510 -0.322 0.000 1.533 446 N CA -0.875 52.143 53.050 -0.053 0.000 0.878 446 N CB 0.403 38.847 38.487 -0.072 0.000 1.566 446 N HN 0.342 nan 8.380 nan 0.000 0.546 447 E N -0.250 119.545 120.200 -0.676 0.000 2.452 447 E HA 0.017 4.401 4.350 0.055 0.000 0.197 447 E C 0.903 176.869 176.600 -1.057 0.000 1.022 447 E CA 0.931 56.643 56.400 -1.147 0.000 0.890 447 E CB -0.087 28.742 29.700 -1.451 0.000 0.918 447 E HN 0.530 nan 8.360 nan 0.000 0.496 448 V N -2.011 117.394 119.914 -0.848 0.000 3.650 448 V HA 0.543 4.697 4.120 0.055 0.000 0.271 448 V C 0.957 176.786 176.094 -0.441 0.000 1.281 448 V CA 0.129 61.804 62.300 -1.043 0.000 1.120 448 V CB -0.023 31.347 31.823 -0.755 0.000 0.856 448 V HN 0.292 nan 8.190 nan 0.000 0.443 449 A N 2.007 124.749 122.820 -0.129 0.000 2.337 449 A HA 0.871 5.224 4.320 0.055 0.000 0.329 449 A C -2.923 174.814 177.584 0.254 0.000 1.146 449 A CA -2.121 49.962 52.037 0.078 0.000 0.800 449 A CB 1.044 20.112 19.000 0.114 0.000 1.220 449 A HN 0.265 nan 8.150 nan 0.000 0.472 450 P HA 0.338 nan 4.420 nan 0.000 0.276 450 P C -1.180 176.202 177.300 0.136 0.000 1.243 450 P CA 0.312 63.583 63.100 0.285 0.000 0.768 450 P CB 0.279 32.161 31.700 0.303 0.000 0.856 451 F N 2.561 122.589 119.950 0.130 0.000 2.458 451 F HA 0.703 5.261 4.527 0.053 0.000 0.336 451 F C 1.114 176.962 175.800 0.081 0.000 1.114 451 F CA 0.517 58.577 58.000 0.099 0.000 0.987 451 F CB 2.223 41.293 39.000 0.116 0.000 1.130 451 F HN 0.587 nan 8.300 nan 0.000 0.458 452 G N 1.403 110.268 108.800 0.108 0.000 2.324 452 G HA2 0.442 4.436 3.960 0.055 0.000 0.293 452 G HA3 0.442 4.436 3.960 0.055 0.000 0.293 452 G C -1.534 173.392 174.900 0.043 0.000 1.297 452 G CA -0.286 44.871 45.100 0.095 0.000 0.853 452 G HN 0.884 nan 8.290 nan 0.000 0.535 453 G N -1.502 107.330 108.800 0.052 0.000 2.511 453 G HA2 0.901 4.894 3.960 0.055 0.000 0.318 453 G HA3 0.901 4.894 3.960 0.055 0.000 0.318 453 G C -0.044 174.863 174.900 0.011 0.000 1.210 453 G CA 0.166 45.292 45.100 0.043 0.000 0.969 453 G HN 1.870 nan 8.290 nan 0.000 0.484 454 V N -1.673 118.230 119.914 -0.019 0.000 3.093 454 V HA 0.842 4.996 4.120 0.055 0.000 0.320 454 V C 0.664 176.726 176.094 -0.053 0.000 1.093 454 V CA -0.478 61.791 62.300 -0.051 0.000 1.016 454 V CB 1.048 32.817 31.823 -0.091 0.000 1.096 454 V HN 1.096 nan 8.190 nan 0.000 0.452 455 K N -0.199 120.161 120.400 -0.067 0.000 1.844 455 K HA -0.285 4.069 4.320 0.055 0.000 0.160 455 K C 1.041 177.619 176.600 -0.036 0.000 1.448 455 K CA 1.966 58.208 56.287 -0.075 0.000 0.446 455 K CB -1.215 31.211 32.500 -0.124 0.000 0.635 455 K HN 0.868 nan 8.250 nan 0.000 0.848 456 Q N 0.457 120.233 119.800 -0.040 0.000 2.322 456 Q HA 0.139 4.512 4.340 0.055 0.000 0.203 456 Q C 0.712 176.821 176.000 0.182 0.000 0.923 456 Q CA 0.305 56.118 55.803 0.018 0.000 0.949 456 Q CB 0.433 29.106 28.738 -0.108 0.000 1.039 456 Q HN 0.330 nan 8.270 nan 0.000 0.496 457 S N -0.072 115.739 115.700 0.185 0.000 2.558 457 S HA 0.218 4.721 4.470 0.055 0.000 0.217 457 S C 0.663 175.342 174.600 0.131 0.000 0.975 457 S CA 0.468 58.789 58.200 0.203 0.000 0.912 457 S CB 0.582 63.889 63.200 0.177 0.000 0.776 457 S HN 0.609 nan 8.310 nan 0.000 0.526 458 G N 0.379 109.238 108.800 0.097 0.000 2.320 458 G HA2 0.254 4.247 3.960 0.055 0.000 0.274 458 G HA3 0.254 4.247 3.960 0.055 0.000 0.274 458 G C -2.263 172.669 174.900 0.053 0.000 1.324 458 G CA -1.092 44.060 45.100 0.086 0.000 0.957 458 G HN 0.173 nan 8.290 nan 0.000 0.481 459 L N 0.390 121.644 121.223 0.051 0.000 2.431 459 L HA 0.714 5.087 4.340 0.055 0.000 0.266 459 L C 0.721 177.610 176.870 0.031 0.000 0.978 459 L CA 0.056 54.913 54.840 0.028 0.000 0.822 459 L CB 1.830 43.900 42.059 0.019 0.000 1.310 459 L HN 2.421 nan 8.230 nan 0.000 0.409 460 G N 1.989 110.802 108.800 0.022 0.000 2.795 460 G HA2 -0.097 3.896 3.960 0.055 0.000 0.664 460 G HA3 -0.097 3.896 3.960 0.055 0.000 0.664 460 G C -1.292 173.648 174.900 0.067 0.000 1.381 460 G CA -0.888 44.231 45.100 0.032 0.000 0.853 460 G HN 0.486 nan 8.290 nan 0.000 0.545 461 R N 0.295 120.859 120.500 0.107 0.000 2.807 461 R HA 0.625 4.998 4.340 0.055 0.000 0.276 461 R C -0.124 176.315 176.300 0.232 0.000 0.979 461 R CA -0.716 55.486 56.100 0.170 0.000 0.928 461 R CB 1.794 32.208 30.300 0.190 0.000 1.191 461 R HN 0.767 nan 8.270 nan 0.000 0.471 462 E N -0.183 120.184 120.200 0.280 0.000 2.263 462 E HA 0.606 4.989 4.350 0.055 0.000 0.264 462 E C -0.160 176.714 176.600 0.457 0.000 0.923 462 E CA -0.721 55.867 56.400 0.313 0.000 0.802 462 E CB 1.945 31.734 29.700 0.149 0.000 1.228 462 E HN 0.741 nan 8.360 nan 0.000 0.417 463 G N 1.487 110.655 108.800 0.613 0.000 2.877 463 G HA2 -0.070 3.923 3.960 0.055 0.000 0.279 463 G HA3 -0.070 3.923 3.960 0.055 0.000 0.279 463 G C -0.058 175.063 174.900 0.367 0.000 1.431 463 G CA -0.068 45.356 45.100 0.540 0.000 0.883 463 G HN 1.621 nan 8.290 nan 0.000 0.547 464 S N -1.944 113.703 115.700 -0.090 0.000 3.914 464 S HA -0.154 4.350 4.470 0.055 0.000 0.674 464 S C 1.502 176.349 174.600 0.413 0.000 1.528 464 S CA 1.375 59.587 58.200 0.021 0.000 1.636 464 S CB -0.920 62.351 63.200 0.118 0.000 0.356 464 S HN 2.691 nan 8.310 nan 0.000 1.280 465 K N 0.274 120.824 120.400 0.250 0.000 2.366 465 K HA -0.198 4.155 4.320 0.055 0.000 0.202 465 K C 1.279 177.815 176.600 -0.107 0.000 1.045 465 K CA 2.385 58.671 56.287 -0.002 0.000 0.934 465 K CB -0.579 31.750 32.500 -0.286 0.000 0.746 465 K HN 0.758 nan 8.250 nan 0.000 0.470 466 Y N 0.761 121.237 120.300 0.294 0.000 2.478 466 Y HA 0.251 4.824 4.550 0.038 0.000 0.261 466 Y C 2.614 178.687 175.900 0.288 0.000 1.127 466 Y CA 0.133 58.376 58.100 0.238 0.000 1.288 466 Y CB -0.111 38.452 38.460 0.171 0.000 1.084 466 Y HN 0.180 nan 8.280 nan 0.000 0.530 467 G N 0.335 109.456 108.800 0.535 0.000 2.402 467 G HA2 -0.230 3.763 3.960 0.055 0.000 0.216 467 G HA3 -0.230 3.763 3.960 0.055 0.000 0.216 467 G C 1.699 176.817 174.900 0.364 0.000 1.162 467 G CA 0.747 46.166 45.100 0.531 0.000 0.777 467 G HN 0.441 nan 8.290 nan 0.000 0.539 468 I N 1.301 122.111 120.570 0.400 0.000 2.454 468 I HA -0.129 4.075 4.170 0.055 0.000 0.254 468 I C 2.880 179.135 176.117 0.230 0.000 1.156 468 I CA 1.573 63.007 61.300 0.224 0.000 1.433 468 I CB -0.083 38.054 38.000 0.228 0.000 1.082 468 I HN 0.498 nan 8.210 nan 0.000 0.432 469 E N 0.118 120.447 120.200 0.216 0.000 2.347 469 E HA -0.215 4.168 4.350 0.055 0.000 0.196 469 E C 1.288 177.941 176.600 0.087 0.000 1.008 469 E CA 0.601 57.092 56.400 0.153 0.000 0.852 469 E CB -0.263 29.535 29.700 0.164 0.000 0.783 469 E HN 0.517 nan 8.360 nan 0.000 0.505 470 E N 0.275 120.514 120.200 0.064 0.000 2.338 470 E HA -0.143 4.240 4.350 0.055 0.000 0.197 470 E C 0.480 176.829 176.600 -0.419 0.000 1.007 470 E CA 0.892 57.186 56.400 -0.176 0.000 0.849 470 E CB -0.087 29.470 29.700 -0.238 0.000 0.774 470 E HN 0.581 nan 8.360 nan 0.000 0.506 471 Y N -0.472 119.837 120.300 0.015 0.000 2.612 471 Y HA 0.299 4.880 4.550 0.052 0.000 0.250 471 Y C 0.576 176.489 175.900 0.022 0.000 1.175 471 Y CA -0.193 57.913 58.100 0.010 0.000 1.205 471 Y CB 0.668 39.120 38.460 -0.014 0.000 1.201 471 Y HN -0.171 nan 8.280 nan 0.000 0.532 472 L N 0.372 121.658 121.223 0.106 0.000 2.333 472 L HA 0.505 4.878 4.340 0.055 0.000 0.269 472 L C -0.308 176.593 176.870 0.051 0.000 1.010 472 L CA -1.033 53.856 54.840 0.082 0.000 0.818 472 L CB 1.837 43.945 42.059 0.083 0.000 1.306 472 L HN -0.098 nan 8.230 nan 0.000 0.430 473 E N 0.915 121.145 120.200 0.048 0.000 2.179 473 E HA 0.328 4.712 4.350 0.055 0.000 0.275 473 E C -0.899 175.731 176.600 0.049 0.000 0.945 473 E CA -0.494 55.931 56.400 0.042 0.000 0.792 473 E CB 2.098 31.820 29.700 0.036 0.000 1.125 473 E HN 0.435 nan 8.360 nan 0.000 0.397 474 T N 2.772 117.357 114.554 0.053 0.000 2.832 474 T HA 0.204 4.587 4.350 0.055 0.000 0.296 474 T C 0.273 175.017 174.700 0.073 0.000 0.968 474 T CA -0.034 62.105 62.100 0.064 0.000 1.107 474 T CB 0.631 69.537 68.868 0.063 0.000 0.916 474 T HN 0.211 nan 8.240 nan 0.000 0.517 475 K N 2.829 123.279 120.400 0.083 0.000 2.426 475 K HA 0.351 4.704 4.320 0.055 0.000 0.254 475 K C -1.613 175.074 176.600 0.145 0.000 0.936 475 K CA -0.871 55.470 56.287 0.090 0.000 0.801 475 K CB 1.155 33.686 32.500 0.052 0.000 1.139 475 K HN 0.591 nan 8.250 nan 0.000 0.424 476 Y N 5.957 126.268 120.300 0.019 0.000 2.328 476 Y HA 0.440 5.024 4.550 0.057 0.000 0.337 476 Y C -1.158 174.752 175.900 0.017 0.000 1.008 476 Y CA -1.130 56.981 58.100 0.019 0.000 1.129 476 Y CB 0.633 39.104 38.460 0.018 0.000 1.185 476 Y HN 0.438 nan 8.280 nan 0.000 0.476 477 I N 7.195 127.695 120.570 -0.117 0.000 2.389 477 I HA 0.269 4.472 4.170 0.055 0.000 0.288 477 I C -0.845 175.088 176.117 -0.306 0.000 0.999 477 I CA -0.737 60.408 61.300 -0.258 0.000 1.129 477 I CB 1.276 39.228 38.000 -0.080 0.000 1.288 477 I HN 0.664 nan 8.210 nan 0.000 0.444 478 C N 5.705 124.726 119.300 -0.465 0.000 2.251 478 C HA 0.638 5.131 4.460 0.055 0.000 0.323 478 C C 0.196 175.128 174.990 -0.096 0.000 1.241 478 C CA -0.063 58.812 59.018 -0.237 0.000 1.601 478 C CB -0.338 27.213 27.740 -0.315 0.000 2.251 478 C HN 0.801 nan 8.230 nan 0.000 0.488 479 S N 4.130 119.826 115.700 -0.007 0.000 2.473 479 S HA 0.801 5.305 4.470 0.055 0.000 0.307 479 S C -0.171 174.484 174.600 0.092 0.000 1.094 479 S CA -0.446 57.768 58.200 0.025 0.000 1.070 479 S CB 1.647 64.861 63.200 0.024 0.000 1.019 479 S HN 1.085 nan 8.310 nan 0.000 0.480 480 A N 2.567 125.439 122.820 0.085 0.000 2.312 480 A HA 0.861 5.214 4.320 0.055 0.000 0.328 480 A C -0.812 176.874 177.584 0.170 0.000 1.158 480 A CA -0.687 51.414 52.037 0.106 0.000 0.821 480 A CB 0.410 19.428 19.000 0.029 0.000 1.170 480 A HN 0.953 nan 8.150 nan 0.000 0.490 481 Y N -1.586 118.714 120.300 -0.000 0.000 2.588 481 Y HA 0.765 5.350 4.550 0.057 0.000 0.343 481 Y C -0.115 175.785 175.900 0.000 0.000 1.065 481 Y CA -0.859 57.240 58.100 -0.001 0.000 1.038 481 Y CB 0.945 39.405 38.460 0.000 0.000 1.297 481 Y HN 0.725 nan 8.280 nan 0.000 0.467 482 K N 2.951 123.284 120.400 -0.113 0.000 2.310 482 K HA 0.444 4.797 4.320 0.055 0.000 0.290 482 K C -0.298 176.200 176.600 -0.171 0.000 1.077 482 K CA -0.645 55.543 56.287 -0.165 0.000 0.922 482 K CB 0.034 32.512 32.500 -0.037 0.000 1.057 482 K HN 0.882 nan 8.250 nan 0.000 0.479 483 R N 0.000 120.298 120.500 -0.336 0.000 2.786 483 R HA 0.000 4.373 4.340 0.055 0.000 0.208 483 R CA 0.000 56.006 56.100 -0.157 0.000 0.921 483 R CB 0.000 30.188 30.300 -0.187 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535