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 3i3v_1_D DATA FIRST_RESID 40 DATA SEQUENCE DTLVVHTQLG TTAPGSPTYL AAVDRFREEN PGVKIKNLVN GDDLAQVYET DATA SEQUENCE SRLARKEADV VXVNLYDKTL AWTDVGATVD VKPYLDDWGL RGRVLPAALA DATA SEQUENCE DWTDDEGRVR AFPYFATNWP VAYNRALLDR AGVDAIPTTG DQLIAAARKL DATA SEQUENCE RAKGIAPVTV GGNDWTGQKL LAQIIQTFLS QDEARHVYST GDFGVRGARL DATA SEQUENCE GIEYFAHLRD AGVFADKAQG LTSDSXTTQF NTEEAAVQSA XSSALAKVPE DATA SEQUENCE KVAGHTEVGG WPLADGAAHD GPTVIRAYTL IGFWISPNGV RKIEQVEKFL DATA SEQUENCE RFXYRPDVVA RFVTESGRDX ALRTDAVSTG FPLVGAAQRL GSEVSQVLLP DATA SEQUENCE DVYVPPAAAQ PLITATSTSF TRGTSPARVR AALESAYRSV E 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 40 D HA 0.000 nan 4.640 nan 0.000 0.175 40 D C 0.000 176.293 176.300 -0.012 0.000 2.045 40 D CA 0.000 53.993 54.000 -0.011 0.000 0.868 40 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 41 T N 1.252 115.792 114.554 -0.022 0.000 2.864 41 T HA 0.562 4.912 4.350 0.000 0.000 0.299 41 T C -0.601 174.064 174.700 -0.058 0.000 1.011 41 T CA -0.298 61.783 62.100 -0.032 0.000 0.975 41 T CB 1.392 70.242 68.868 -0.030 0.000 0.962 41 T HN 0.332 nan 8.240 nan 0.000 0.448 42 L N 4.411 125.580 121.223 -0.090 0.000 2.276 42 L HA 0.540 4.880 4.340 0.000 0.000 0.286 42 L C -0.466 176.302 176.870 -0.169 0.000 1.061 42 L CA -0.617 54.123 54.840 -0.166 0.000 0.807 42 L CB 1.271 43.148 42.059 -0.303 0.000 1.177 42 L HN 0.372 nan 8.230 nan 0.000 0.429 43 V N 5.550 125.382 119.914 -0.137 0.000 2.394 43 V HA 0.332 4.452 4.120 0.000 0.000 0.282 43 V C -0.008 176.021 176.094 -0.110 0.000 1.031 43 V CA -0.549 61.689 62.300 -0.104 0.000 0.881 43 V CB 1.900 33.682 31.823 -0.068 0.000 0.982 43 V HN 0.434 nan 8.190 nan 0.000 0.451 44 V N 4.500 124.362 119.914 -0.087 0.000 2.407 44 V HA 0.362 4.482 4.120 0.000 0.000 0.291 44 V C -0.347 175.792 176.094 0.075 0.000 1.018 44 V CA -0.756 61.527 62.300 -0.028 0.000 0.842 44 V CB 1.392 33.193 31.823 -0.038 0.000 0.996 44 V HN 0.817 nan 8.190 nan 0.000 0.426 45 H N 3.744 122.808 119.070 -0.010 0.000 2.761 45 H HA 0.555 5.111 4.556 0.000 0.000 0.284 45 H C -0.104 175.209 175.328 -0.025 0.000 1.105 45 H CA -0.013 56.035 56.048 0.000 0.000 1.352 45 H CB 0.757 30.521 29.762 0.002 0.000 1.423 45 H HN 0.765 nan 8.280 nan 0.000 0.464 46 T N 3.397 118.061 114.554 0.184 0.000 2.924 46 T HA 0.233 4.583 4.350 0.000 0.000 0.291 46 T C 1.108 175.804 174.700 -0.007 0.000 1.045 46 T CA -0.871 61.229 62.100 0.000 0.000 1.015 46 T CB 1.980 70.791 68.868 -0.095 0.000 1.103 46 T HN 0.541 nan 8.240 nan 0.000 0.496 47 Q N -0.051 119.697 119.800 -0.086 0.000 2.356 47 Q HA 0.298 4.638 4.340 0.000 0.000 0.205 47 Q C -0.003 175.974 176.000 -0.038 0.000 0.901 47 Q CA 0.243 56.012 55.803 -0.057 0.000 0.938 47 Q CB 0.250 28.940 28.738 -0.081 0.000 1.081 47 Q HN 0.477 nan 8.270 nan 0.000 0.517 48 L N -0.762 120.406 121.223 -0.092 0.000 2.343 48 L HA 0.491 4.831 4.340 0.000 0.000 0.275 48 L C 0.846 177.778 176.870 0.103 0.000 1.056 48 L CA -0.000 54.823 54.840 -0.028 0.000 0.804 48 L CB 1.504 43.449 42.059 -0.191 0.000 1.203 48 L HN 0.269 nan 8.230 nan 0.000 0.440 49 G N 0.534 109.454 108.800 0.200 0.000 3.110 49 G HA2 -0.204 3.756 3.960 0.000 0.000 0.205 49 G HA3 -0.204 3.756 3.960 0.000 0.000 0.205 49 G C 0.442 175.435 174.900 0.154 0.000 1.019 49 G CA 0.374 45.614 45.100 0.232 0.000 0.826 49 G HN 0.653 nan 8.290 nan 0.000 0.481 50 T N -2.085 112.538 114.554 0.116 0.000 2.995 50 T HA 0.339 4.689 4.350 0.000 0.000 0.170 50 T C 2.181 176.926 174.700 0.076 0.000 0.844 50 T CA 2.353 64.505 62.100 0.087 0.000 1.137 50 T CB -0.266 68.642 68.868 0.067 0.000 2.193 50 T HN 0.747 nan 8.240 nan 0.000 0.384 51 T N 0.392 114.980 114.554 0.057 0.000 3.081 51 T HA 0.524 4.874 4.350 0.000 0.000 0.255 51 T C 1.000 175.726 174.700 0.043 0.000 1.113 51 T CA 0.188 62.315 62.100 0.045 0.000 1.082 51 T CB -0.702 68.182 68.868 0.027 0.000 0.939 51 T HN 0.770 nan 8.240 nan 0.000 0.506 52 A N 3.002 125.852 122.820 0.051 0.000 2.462 52 A HA 0.515 4.835 4.320 0.000 0.000 0.243 52 A C -2.401 175.233 177.584 0.084 0.000 1.076 52 A CA -1.320 50.748 52.037 0.051 0.000 0.773 52 A CB -0.264 18.767 19.000 0.052 0.000 1.010 52 A HN 0.266 nan 8.150 nan 0.000 0.493 53 P HA 0.299 nan 4.420 nan 0.000 0.268 53 P C 0.997 178.383 177.300 0.143 0.000 1.204 53 P CA 1.748 64.876 63.100 0.047 0.000 0.768 53 P CB 0.780 32.460 31.700 -0.034 0.000 0.842 54 G N 2.013 110.903 108.800 0.150 0.000 2.195 54 G HA2 -0.297 3.663 3.960 0.000 0.000 0.246 54 G HA3 -0.297 3.663 3.960 0.000 0.000 0.246 54 G C 1.474 176.631 174.900 0.428 0.000 0.984 54 G CA 0.454 45.756 45.100 0.337 0.000 0.633 54 G HN 0.438 nan 8.290 nan 0.000 0.525 55 S N 1.499 117.378 115.700 0.298 0.000 2.370 55 S HA -0.054 4.416 4.470 0.000 0.000 0.226 55 S C 0.280 175.039 174.600 0.266 0.000 1.033 55 S CA 1.943 60.325 58.200 0.304 0.000 1.011 55 S CB -0.699 62.623 63.200 0.204 0.000 0.852 55 S HN 0.540 nan 8.310 nan 0.000 0.457 56 P HA -0.053 nan 4.420 nan 0.000 0.215 56 P C 1.408 178.749 177.300 0.069 0.000 1.157 56 P CA 1.368 64.533 63.100 0.108 0.000 0.868 56 P CB -0.251 31.498 31.700 0.081 0.000 0.788 57 T N -1.916 112.653 114.554 0.024 0.000 2.904 57 T HA -0.169 4.181 4.350 0.000 0.000 0.267 57 T C 1.610 176.223 174.700 -0.145 0.000 1.059 57 T CA 0.915 62.896 62.100 -0.198 0.000 1.137 57 T CB -0.951 67.596 68.868 -0.536 0.000 0.879 57 T HN 0.086 nan 8.240 nan 0.000 0.467 58 Y N 1.869 122.238 120.300 0.114 0.000 2.200 58 Y HA 0.029 4.579 4.550 0.000 0.000 0.290 58 Y C 1.853 177.890 175.900 0.229 0.000 1.137 58 Y CA 0.843 59.156 58.100 0.355 0.000 1.163 58 Y CB -0.537 38.188 38.460 0.441 0.000 0.988 58 Y HN 0.128 nan 8.280 nan 0.000 0.518 59 L N -0.483 120.756 121.223 0.026 0.000 2.141 59 L HA -0.138 4.202 4.340 0.000 0.000 0.209 59 L C 2.694 179.531 176.870 -0.056 0.000 1.094 59 L CA 0.984 55.786 54.840 -0.063 0.000 0.763 59 L CB -0.850 41.244 42.059 0.059 0.000 0.908 59 L HN 0.325 nan 8.230 nan 0.000 0.437 60 A N 0.050 122.857 122.820 -0.022 0.000 1.897 60 A HA -0.064 4.256 4.320 0.000 0.000 0.215 60 A C 2.549 180.155 177.584 0.035 0.000 1.181 60 A CA 1.388 53.424 52.037 -0.001 0.000 0.620 60 A CB -0.533 18.459 19.000 -0.013 0.000 0.821 60 A HN 0.357 nan 8.150 nan 0.000 0.443 61 A N -0.379 122.467 122.820 0.043 0.000 1.902 61 A HA -0.032 4.288 4.320 0.000 0.000 0.217 61 A C 2.224 179.914 177.584 0.175 0.000 1.181 61 A CA 1.886 54.070 52.037 0.246 0.000 0.623 61 A CB -0.964 18.220 19.000 0.307 0.000 0.818 61 A HN 0.381 nan 8.150 nan 0.000 0.443 62 V N 0.662 120.532 119.914 -0.075 0.000 2.295 62 V HA -0.235 3.885 4.120 0.000 0.000 0.246 62 V C 2.128 178.223 176.094 0.002 0.000 1.049 62 V CA 2.294 64.544 62.300 -0.083 0.000 1.024 62 V CB -0.849 30.839 31.823 -0.225 0.000 0.648 62 V HN 0.494 nan 8.190 nan 0.000 0.447 63 D N -0.468 119.925 120.400 -0.011 0.000 2.178 63 D HA -0.135 4.505 4.640 0.000 0.000 0.201 63 D C 2.331 178.627 176.300 -0.007 0.000 0.980 63 D CA 0.817 54.818 54.000 0.001 0.000 0.842 63 D CB -0.282 40.520 40.800 0.003 0.000 0.948 63 D HN 0.155 nan 8.370 nan 0.000 0.472 64 R N 0.108 120.620 120.500 0.020 0.000 2.073 64 R HA -0.059 4.281 4.340 0.000 0.000 0.229 64 R C 2.164 178.362 176.300 -0.172 0.000 1.120 64 R CA 0.408 56.522 56.100 0.024 0.000 0.967 64 R CB -1.011 29.420 30.300 0.217 0.000 0.862 64 R HN 0.235 nan 8.270 nan 0.000 0.436 65 F N 1.756 121.341 119.950 -0.607 0.000 2.120 65 F HA -0.240 4.287 4.527 0.000 0.000 0.300 65 F C 2.278 177.835 175.800 -0.406 0.000 1.095 65 F CA 1.846 59.267 58.000 -0.966 0.000 1.249 65 F CB -0.102 38.284 39.000 -1.023 0.000 0.995 65 F HN -0.051 nan 8.300 nan 0.000 0.480 66 R N 0.098 120.476 120.500 -0.203 0.000 2.073 66 R HA -0.201 4.139 4.340 0.000 0.000 0.234 66 R C 2.276 178.437 176.300 -0.231 0.000 1.134 66 R CA 1.769 57.758 56.100 -0.184 0.000 0.952 66 R CB -0.669 29.610 30.300 -0.034 0.000 0.850 66 R HN 0.398 nan 8.270 nan 0.000 0.433 67 E N 0.756 120.855 120.200 -0.168 0.000 2.130 67 E HA -0.229 4.121 4.350 0.000 0.000 0.196 67 E C 1.275 177.776 176.600 -0.164 0.000 0.998 67 E CA 1.453 57.779 56.400 -0.124 0.000 0.806 67 E CB 0.162 29.820 29.700 -0.071 0.000 0.738 67 E HN 0.367 nan 8.360 nan 0.000 0.459 68 E N -0.735 119.311 120.200 -0.257 0.000 2.478 68 E HA 0.013 4.363 4.350 0.000 0.000 0.194 68 E C -0.341 176.047 176.600 -0.353 0.000 1.045 68 E CA 0.130 56.374 56.400 -0.259 0.000 0.868 68 E CB 0.306 29.861 29.700 -0.241 0.000 0.885 68 E HN 0.184 nan 8.360 nan 0.000 0.505 69 N N 1.296 119.722 118.700 -0.458 0.000 2.711 69 N HA 0.120 4.860 4.740 0.000 0.000 0.263 69 N C -2.776 172.571 175.510 -0.273 0.000 1.667 69 N CA -0.970 51.821 53.050 -0.432 0.000 0.785 69 N CB 1.239 39.278 38.487 -0.747 0.000 1.231 69 N HN -0.008 nan 8.380 nan 0.000 0.503 70 P HA 0.162 nan 4.420 nan 0.000 0.269 70 P C 0.929 178.174 177.300 -0.093 0.000 1.209 70 P CA 0.762 63.793 63.100 -0.115 0.000 0.776 70 P CB 1.211 32.858 31.700 -0.089 0.000 0.876 71 G N 1.059 109.820 108.800 -0.065 0.000 2.258 71 G HA2 -0.204 3.756 3.960 0.000 0.000 0.233 71 G HA3 -0.204 3.756 3.960 0.000 0.000 0.233 71 G C -0.147 174.731 174.900 -0.038 0.000 1.006 71 G CA -0.020 45.051 45.100 -0.048 0.000 0.620 71 G HN 0.562 nan 8.290 nan 0.000 0.511 72 V N 2.863 122.750 119.914 -0.045 0.000 2.318 72 V HA 0.421 4.541 4.120 0.000 0.000 0.271 72 V C 0.521 176.636 176.094 0.035 0.000 1.030 72 V CA -0.503 61.796 62.300 -0.002 0.000 0.844 72 V CB 1.208 33.037 31.823 0.011 0.000 1.015 72 V HN 0.347 nan 8.190 nan 0.000 0.460 73 K N 5.117 125.531 120.400 0.023 0.000 2.185 73 K HA 0.586 4.906 4.320 0.000 0.000 0.271 73 K C -0.799 175.817 176.600 0.026 0.000 1.013 73 K CA -0.579 55.722 56.287 0.023 0.000 0.943 73 K CB 1.336 33.836 32.500 -0.001 0.000 0.998 73 K HN 0.370 nan 8.250 nan 0.000 0.468 74 I N 2.420 123.004 120.570 0.024 0.000 2.498 74 I HA 0.257 4.427 4.170 0.000 0.000 0.290 74 I C -0.445 175.660 176.117 -0.021 0.000 1.032 74 I CA -0.700 60.586 61.300 -0.023 0.000 1.073 74 I CB 1.694 39.703 38.000 0.015 0.000 1.251 74 I HN 0.502 nan 8.210 nan 0.000 0.426 75 K N 6.033 126.406 120.400 -0.046 0.000 2.463 75 K HA 0.396 4.716 4.320 0.000 0.000 0.255 75 K C -1.046 175.548 176.600 -0.009 0.000 0.942 75 K CA -0.493 55.781 56.287 -0.021 0.000 0.814 75 K CB 1.499 33.980 32.500 -0.031 0.000 1.122 75 K HN 0.507 nan 8.250 nan 0.000 0.425 76 N N 3.467 122.190 118.700 0.038 0.000 2.456 76 N HA 0.242 4.982 4.740 0.000 0.000 0.288 76 N C -0.910 174.632 175.510 0.054 0.000 1.059 76 N CA -0.541 52.562 53.050 0.088 0.000 0.946 76 N CB 1.252 39.846 38.487 0.179 0.000 1.150 76 N HN 0.321 nan 8.380 nan 0.000 0.479 77 L N 3.835 125.085 121.223 0.044 0.000 2.318 77 L HA 0.409 4.749 4.340 0.000 0.000 0.277 77 L C -1.002 175.942 176.870 0.123 0.000 1.008 77 L CA -0.856 53.981 54.840 -0.004 0.000 0.846 77 L CB 1.007 42.932 42.059 -0.223 0.000 1.220 77 L HN 0.152 nan 8.230 nan 0.000 0.423 78 V N 5.605 125.589 119.914 0.117 0.000 2.509 78 V HA 0.619 4.739 4.120 0.000 0.000 0.284 78 V C 0.035 176.214 176.094 0.142 0.000 1.047 78 V CA -0.619 61.762 62.300 0.135 0.000 0.952 78 V CB 1.385 33.272 31.823 0.106 0.000 0.988 78 V HN 0.823 nan 8.190 nan 0.000 0.469 79 N N 1.962 120.737 118.700 0.125 0.000 2.504 79 N HA 0.561 5.301 4.740 0.000 0.000 0.268 79 N C -0.615 174.907 175.510 0.020 0.000 1.184 79 N CA -0.318 52.786 53.050 0.090 0.000 0.875 79 N CB 2.670 41.243 38.487 0.144 0.000 1.630 79 N HN 0.878 nan 8.380 nan 0.000 0.486 80 G N -0.134 108.668 108.800 0.002 0.000 2.590 80 G HA2 0.423 4.383 3.960 0.000 0.000 0.310 80 G HA3 0.423 4.383 3.960 0.000 0.000 0.310 80 G C 0.273 175.138 174.900 -0.058 0.000 1.347 80 G CA -0.054 45.025 45.100 -0.036 0.000 0.963 80 G HN 0.640 nan 8.290 nan 0.000 0.494 81 D N 1.030 121.367 120.400 -0.105 0.000 3.177 81 D HA -0.243 4.397 4.640 0.000 0.000 0.179 81 D C 0.980 177.240 176.300 -0.068 0.000 1.613 81 D CA 2.281 56.195 54.000 -0.142 0.000 2.105 81 D CB -0.650 40.069 40.800 -0.135 0.000 1.351 81 D HN 0.620 nan 8.370 nan 0.000 0.417 82 D N 1.212 121.597 120.400 -0.024 0.000 2.342 82 D HA 0.038 4.678 4.640 0.000 0.000 0.221 82 D C 2.250 178.571 176.300 0.035 0.000 1.101 82 D CA -0.145 53.867 54.000 0.019 0.000 0.837 82 D CB -0.552 40.262 40.800 0.023 0.000 0.938 82 D HN 0.495 nan 8.370 nan 0.000 0.508 83 L N 0.557 121.778 121.223 -0.003 0.000 2.017 83 L HA -0.106 4.234 4.340 0.000 0.000 0.208 83 L C 2.387 179.260 176.870 0.004 0.000 1.073 83 L CA 1.582 56.375 54.840 -0.079 0.000 0.745 83 L CB -0.267 41.688 42.059 -0.173 0.000 0.894 83 L HN 0.089 nan 8.230 nan 0.000 0.432 84 A N -0.271 122.612 122.820 0.105 0.000 1.873 84 A HA -0.333 3.987 4.320 0.000 0.000 0.218 84 A C 2.057 179.826 177.584 0.309 0.000 1.193 84 A CA 2.258 54.466 52.037 0.285 0.000 0.629 84 A CB -0.739 18.310 19.000 0.082 0.000 0.826 84 A HN 0.633 nan 8.150 nan 0.000 0.447 85 Q N -0.498 119.405 119.800 0.172 0.000 2.050 85 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 85 Q C 2.045 178.116 176.000 0.120 0.000 0.980 85 Q CA 1.738 57.618 55.803 0.128 0.000 0.840 85 Q CB -0.633 28.155 28.738 0.083 0.000 0.898 85 Q HN 0.431 nan 8.270 nan 0.000 0.424 86 V N 0.147 120.144 119.914 0.137 0.000 2.407 86 V HA -0.275 3.845 4.120 0.000 0.000 0.248 86 V C 1.905 178.141 176.094 0.236 0.000 1.055 86 V CA 1.838 64.244 62.300 0.176 0.000 1.049 86 V CB -0.657 31.313 31.823 0.245 0.000 0.662 86 V HN 0.394 nan 8.190 nan 0.000 0.455 87 Y N 1.499 121.863 120.300 0.108 0.000 2.163 87 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 87 Y C 2.471 178.350 175.900 -0.035 0.000 1.136 87 Y CA 2.007 60.145 58.100 0.063 0.000 1.147 87 Y CB -0.318 38.087 38.460 -0.092 0.000 0.987 87 Y HN 0.361 nan 8.280 nan 0.000 0.509 88 E N -0.967 119.126 120.200 -0.179 0.000 2.153 88 E HA -0.167 4.183 4.350 0.000 0.000 0.194 88 E C 2.013 178.480 176.600 -0.222 0.000 0.988 88 E CA 1.695 57.925 56.400 -0.284 0.000 0.811 88 E CB -0.149 29.528 29.700 -0.038 0.000 0.746 88 E HN 0.434 nan 8.360 nan 0.000 0.466 89 T N 0.123 114.610 114.554 -0.111 0.000 2.821 89 T HA -0.089 4.261 4.350 0.000 0.000 0.267 89 T C 2.045 176.672 174.700 -0.121 0.000 1.046 89 T CA 1.067 63.119 62.100 -0.081 0.000 1.139 89 T CB -0.086 68.769 68.868 -0.022 0.000 0.871 89 T HN 0.050 nan 8.240 nan 0.000 0.454 90 S N 1.031 116.640 115.700 -0.152 0.000 2.382 90 S HA -0.043 4.427 4.470 0.000 0.000 0.228 90 S C 2.195 176.656 174.600 -0.231 0.000 1.027 90 S CA 0.744 58.848 58.200 -0.160 0.000 0.991 90 S CB -0.153 62.975 63.200 -0.120 0.000 0.823 90 S HN 0.372 nan 8.310 nan 0.000 0.469 91 R N 0.784 121.053 120.500 -0.385 0.000 2.081 91 R HA 0.010 4.350 4.340 0.000 0.000 0.235 91 R C 2.249 178.426 176.300 -0.204 0.000 1.131 91 R CA 0.935 56.822 56.100 -0.356 0.000 0.960 91 R CB -0.799 29.206 30.300 -0.491 0.000 0.856 91 R HN 0.405 nan 8.270 nan 0.000 0.436 92 L N 0.083 121.204 121.223 -0.171 0.000 2.046 92 L HA -0.143 4.197 4.340 0.000 0.000 0.208 92 L C 2.460 179.278 176.870 -0.087 0.000 1.077 92 L CA 1.332 56.107 54.840 -0.109 0.000 0.747 92 L CB -0.504 41.504 42.059 -0.086 0.000 0.896 92 L HN 0.177 nan 8.230 nan 0.000 0.432 93 A N -0.688 122.079 122.820 -0.089 0.000 2.209 93 A HA -0.081 4.239 4.320 0.000 0.000 0.212 93 A C 1.266 178.810 177.584 -0.067 0.000 1.158 93 A CA 0.253 52.249 52.037 -0.068 0.000 0.742 93 A CB -0.344 18.618 19.000 -0.062 0.000 0.790 93 A HN 0.465 nan 8.150 nan 0.000 0.472 94 R N -1.737 118.713 120.500 -0.084 0.000 3.525 94 R HA -0.180 4.160 4.340 0.000 0.000 0.276 94 R C -0.272 175.991 176.300 -0.062 0.000 1.116 94 R CA 1.398 57.454 56.100 -0.074 0.000 0.745 94 R CB -2.007 28.260 30.300 -0.054 0.000 1.185 94 R HN 0.816 nan 8.270 nan 0.000 0.454 95 K N -0.983 119.374 120.400 -0.072 0.000 3.209 95 K HA 0.185 4.505 4.320 0.000 0.000 0.202 95 K C -0.592 175.974 176.600 -0.057 0.000 1.109 95 K CA -0.702 55.552 56.287 -0.055 0.000 0.968 95 K CB 0.562 33.032 32.500 -0.049 0.000 0.732 95 K HN 0.189 nan 8.250 nan 0.000 0.450 96 E N 1.022 121.182 120.200 -0.066 0.000 2.408 96 E HA 0.290 4.640 4.350 0.000 0.000 0.259 96 E C 0.003 176.636 176.600 0.055 0.000 1.110 96 E CA -0.523 55.858 56.400 -0.032 0.000 0.929 96 E CB 0.488 30.134 29.700 -0.091 0.000 0.971 96 E HN 0.373 nan 8.360 nan 0.000 0.438 97 A N 1.872 124.787 122.820 0.159 0.000 2.366 97 A HA 0.024 4.344 4.320 0.000 0.000 0.249 97 A C 0.400 178.036 177.584 0.087 0.000 1.084 97 A CA -0.397 51.697 52.037 0.095 0.000 0.794 97 A CB 0.262 19.331 19.000 0.115 0.000 1.034 97 A HN 0.759 nan 8.150 nan 0.000 0.491 98 D N -0.410 119.999 120.400 0.015 0.000 2.194 98 D HA 0.054 4.694 4.640 0.000 0.000 0.204 98 D C 0.072 176.373 176.300 0.002 0.000 0.964 98 D CA 1.353 55.351 54.000 -0.003 0.000 0.846 98 D CB 0.126 40.893 40.800 -0.055 0.000 0.962 98 D HN 0.189 nan 8.370 nan 0.000 0.490 99 V N 1.193 121.101 119.914 -0.011 0.000 2.709 99 V HA 0.310 4.430 4.120 0.000 0.000 0.308 99 V C 0.108 176.236 176.094 0.057 0.000 1.062 99 V CA -0.732 61.588 62.300 0.035 0.000 0.901 99 V CB 2.791 34.607 31.823 -0.011 0.000 1.003 99 V HN -0.230 nan 8.190 nan 0.000 0.425 103 N N 2.014 120.829 118.700 0.193 0.000 2.453 103 N HA 0.329 5.069 4.740 0.000 0.000 0.253 103 N C -0.731 175.000 175.510 0.369 0.000 1.252 103 N CA 0.072 53.277 53.050 0.257 0.000 0.917 103 N CB 1.036 39.560 38.487 0.061 0.000 1.117 103 N HN 0.717 nan 8.380 nan 0.000 0.442 104 L N 4.727 126.097 121.223 0.244 0.000 2.270 104 L HA 0.392 4.732 4.340 0.000 0.000 0.286 104 L C -1.333 175.538 176.870 0.003 0.000 1.059 104 L CA -0.347 54.515 54.840 0.037 0.000 0.839 104 L CB -0.724 41.018 42.059 -0.528 0.000 1.221 104 L HN 0.602 nan 8.230 nan 0.000 0.431 105 Y N 1.818 121.989 120.300 -0.215 0.000 2.818 105 Y HA 0.452 5.002 4.550 0.000 0.000 0.322 105 Y C 0.994 176.757 175.900 -0.229 0.000 1.323 105 Y CA -0.829 57.141 58.100 -0.216 0.000 1.090 105 Y CB 0.052 38.397 38.460 -0.190 0.000 1.328 105 Y HN 0.509 nan 8.280 nan 0.000 0.482 106 D N 0.922 121.192 120.400 -0.218 0.000 2.192 106 D HA -0.309 4.331 4.640 0.000 0.000 0.189 106 D C 1.140 177.132 176.300 -0.514 0.000 1.007 106 D CA 2.627 56.458 54.000 -0.282 0.000 0.859 106 D CB -0.201 40.533 40.800 -0.109 0.000 0.936 106 D HN 0.720 nan 8.370 nan 0.000 0.447 107 K N -0.073 119.812 120.400 -0.859 0.000 2.026 107 K HA -0.104 4.216 4.320 0.000 0.000 0.208 107 K C 2.531 178.496 176.600 -1.059 0.000 1.048 107 K CA 1.967 57.776 56.287 -0.797 0.000 0.929 107 K CB -0.377 31.707 32.500 -0.694 0.000 0.713 107 K HN 0.480 nan 8.250 nan 0.000 0.439 108 T N -0.521 113.149 114.554 -1.474 0.000 3.085 108 T HA 0.024 4.374 4.350 0.000 0.000 0.263 108 T C 1.840 176.128 174.700 -0.686 0.000 1.127 108 T CA 0.387 61.487 62.100 -1.668 0.000 1.103 108 T CB -0.146 67.768 68.868 -1.591 0.000 0.921 108 T HN 0.054 nan 8.240 nan 0.000 0.510 109 L N 0.298 121.259 121.223 -0.437 0.000 2.275 109 L HA 0.176 4.516 4.340 0.000 0.000 0.215 109 L C 2.874 179.722 176.870 -0.037 0.000 1.119 109 L CA 0.975 55.725 54.840 -0.149 0.000 0.790 109 L CB -0.335 41.617 42.059 -0.178 0.000 0.919 109 L HN 0.432 nan 8.230 nan 0.000 0.443 110 A N -1.876 120.902 122.820 -0.069 0.000 2.195 110 A HA -0.075 4.245 4.320 0.000 0.000 0.210 110 A C 1.603 179.334 177.584 0.244 0.000 1.165 110 A CA -0.183 51.894 52.037 0.067 0.000 0.806 110 A CB -0.416 18.607 19.000 0.039 0.000 0.847 110 A HN 0.405 nan 8.150 nan 0.000 0.482 111 W N 1.271 122.590 121.300 0.032 0.000 2.317 111 W HA -0.147 4.513 4.660 0.000 0.000 0.318 111 W C 2.396 179.005 176.519 0.150 0.000 1.227 111 W CA 1.921 59.312 57.345 0.075 0.000 1.269 111 W CB -1.508 27.965 29.460 0.020 0.000 1.155 111 W HN 0.339 nan 8.180 nan 0.000 0.484 112 T N -0.485 114.345 114.554 0.460 0.000 2.746 112 T HA -0.240 4.110 4.350 0.000 0.000 0.267 112 T C 1.256 176.070 174.700 0.190 0.000 1.039 112 T CA 1.882 64.169 62.100 0.312 0.000 1.142 112 T CB -0.591 68.437 68.868 0.267 0.000 0.866 112 T HN 0.013 nan 8.240 nan 0.000 0.444 113 D N 1.041 121.539 120.400 0.163 0.000 2.218 113 D HA -0.086 4.554 4.640 0.000 0.000 0.204 113 D C 1.954 178.309 176.300 0.092 0.000 0.976 113 D CA 0.864 54.929 54.000 0.107 0.000 0.853 113 D CB -0.057 40.795 40.800 0.087 0.000 0.939 113 D HN 0.400 nan 8.370 nan 0.000 0.481 114 V N -3.788 116.192 119.914 0.109 0.000 3.647 114 V HA 0.455 4.575 4.120 0.000 0.000 0.279 114 V C 1.413 177.543 176.094 0.060 0.000 1.314 114 V CA 0.461 62.805 62.300 0.074 0.000 1.125 114 V CB -0.233 31.633 31.823 0.071 0.000 0.907 114 V HN 0.206 nan 8.190 nan 0.000 0.434 115 G N 0.224 109.076 108.800 0.086 0.000 2.176 115 G HA2 -0.204 3.756 3.960 0.000 0.000 0.252 115 G HA3 -0.204 3.756 3.960 0.000 0.000 0.252 115 G C 0.913 175.837 174.900 0.040 0.000 1.024 115 G CA 0.432 45.574 45.100 0.071 0.000 0.755 115 G HN 1.447 nan 8.290 nan 0.000 0.507 116 A N -0.950 121.883 122.820 0.021 0.000 2.066 116 A HA 0.495 4.815 4.320 0.000 0.000 0.218 116 A C 1.598 179.154 177.584 -0.046 0.000 1.157 116 A CA 2.364 54.325 52.037 -0.127 0.000 0.670 116 A CB 0.002 18.759 19.000 -0.405 0.000 0.804 116 A HN 2.079 nan 8.150 nan 0.000 0.453 117 T N -2.811 111.813 114.554 0.116 0.000 2.916 117 T HA 0.537 4.887 4.350 0.000 0.000 0.305 117 T C -0.403 174.436 174.700 0.231 0.000 1.119 117 T CA -0.151 62.090 62.100 0.235 0.000 1.008 117 T CB 1.197 70.393 68.868 0.546 0.000 1.129 117 T HN 0.910 nan 8.240 nan 0.000 0.480 118 V N 0.098 120.128 119.914 0.193 0.000 3.134 118 V HA 0.633 4.753 4.120 0.000 0.000 0.313 118 V C 0.106 176.271 176.094 0.119 0.000 1.069 118 V CA -0.785 61.603 62.300 0.147 0.000 1.048 118 V CB 1.091 33.004 31.823 0.151 0.000 1.119 118 V HN 1.016 nan 8.190 nan 0.000 0.461 119 D N 0.841 121.279 120.400 0.063 0.000 2.390 119 D HA 0.200 4.840 4.640 0.000 0.000 0.249 119 D C 0.759 177.031 176.300 -0.046 0.000 1.144 119 D CA 0.314 54.307 54.000 -0.012 0.000 0.880 119 D CB 1.674 42.451 40.800 -0.038 0.000 1.182 119 D HN 0.763 nan 8.370 nan 0.000 0.451 120 V N 1.850 121.668 119.914 -0.159 0.000 3.621 120 V HA 0.174 4.294 4.120 0.000 0.000 0.285 120 V C 1.961 177.820 176.094 -0.391 0.000 1.346 120 V CA 0.066 62.217 62.300 -0.249 0.000 1.104 120 V CB -0.344 31.095 31.823 -0.639 0.000 0.913 120 V HN 0.460 nan 8.190 nan 0.000 0.432 121 K N 2.041 122.258 120.400 -0.306 0.000 2.032 121 K HA -0.057 4.263 4.320 0.000 0.000 0.209 121 K C -0.139 176.279 176.600 -0.303 0.000 1.048 121 K CA 2.089 58.211 56.287 -0.276 0.000 0.927 121 K CB -0.957 31.433 32.500 -0.184 0.000 0.712 121 K HN 0.534 nan 8.250 nan 0.000 0.441 122 P HA -0.156 nan 4.420 nan 0.000 0.225 122 P C 0.542 177.488 177.300 -0.589 0.000 1.148 122 P CA 1.311 64.142 63.100 -0.449 0.000 0.779 122 P CB -0.006 31.380 31.700 -0.523 0.000 0.780 123 Y N -1.006 118.995 120.300 -0.498 0.000 2.436 123 Y HA 0.055 4.605 4.550 0.000 0.000 0.288 123 Y C 2.424 177.902 175.900 -0.704 0.000 1.112 123 Y CA 0.111 57.640 58.100 -0.952 0.000 1.220 123 Y CB -1.107 36.672 38.460 -1.136 0.000 1.073 123 Y HN -0.177 nan 8.280 nan 0.000 0.552 124 L N 0.091 121.133 121.223 -0.301 0.000 2.005 124 L HA -0.089 4.251 4.340 0.000 0.000 0.207 124 L C 0.263 177.136 176.870 0.005 0.000 1.072 124 L CA 1.673 56.454 54.840 -0.100 0.000 0.744 124 L CB -0.557 41.365 42.059 -0.227 0.000 0.895 124 L HN 0.020 nan 8.230 nan 0.000 0.433 125 D N 0.290 120.650 120.400 -0.068 0.000 2.264 125 D HA 0.197 4.837 4.640 0.000 0.000 0.250 125 D C 0.510 176.810 176.300 0.001 0.000 1.113 125 D CA 0.758 54.752 54.000 -0.010 0.000 0.871 125 D CB 1.443 42.217 40.800 -0.043 0.000 1.167 125 D HN 0.345 nan 8.370 nan 0.000 0.447 126 D N 1.960 122.417 120.400 0.096 0.000 2.183 126 D HA -0.158 4.482 4.640 0.000 0.000 0.166 126 D C -0.026 176.499 176.300 0.376 0.000 0.927 126 D CA 0.218 54.313 54.000 0.158 0.000 0.984 126 D CB -1.368 39.473 40.800 0.069 0.000 1.093 126 D HN 0.471 nan 8.370 nan 0.000 0.521 127 W N 1.353 122.704 121.300 0.085 0.000 2.998 127 W HA 0.642 5.302 4.660 0.000 0.000 0.336 127 W C 1.782 178.344 176.519 0.072 0.000 1.112 127 W CA 1.088 58.484 57.345 0.086 0.000 1.682 127 W CB 0.016 29.546 29.460 0.117 0.000 1.065 127 W HN 0.454 nan 8.180 nan 0.000 0.570 128 G N 1.684 110.651 108.800 0.278 0.000 2.323 128 G HA2 -0.277 3.683 3.960 0.000 0.000 0.292 128 G HA3 -0.277 3.683 3.960 0.000 0.000 0.292 128 G C 0.388 175.414 174.900 0.209 0.000 1.040 128 G CA 0.473 45.686 45.100 0.189 0.000 0.942 128 G HN 0.177 nan 8.290 nan 0.000 0.506 129 L N -0.739 120.639 121.223 0.259 0.000 2.701 129 L HA 0.380 4.720 4.340 0.000 0.000 0.238 129 L C 2.516 179.564 176.870 0.296 0.000 1.106 129 L CA 1.122 56.152 54.840 0.316 0.000 0.898 129 L CB -0.357 41.907 42.059 0.341 0.000 1.188 129 L HN 0.423 nan 8.230 nan 0.000 0.508 130 R N 0.218 120.834 120.500 0.193 0.000 2.113 130 R HA -0.202 4.138 4.340 0.000 0.000 0.244 130 R C 1.886 178.258 176.300 0.119 0.000 1.142 130 R CA 1.894 58.071 56.100 0.129 0.000 0.953 130 R CB -0.549 29.792 30.300 0.068 0.000 0.860 130 R HN 0.410 nan 8.270 nan 0.000 0.438 131 G N 0.079 108.945 108.800 0.109 0.000 2.559 131 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 131 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 131 G C 1.186 176.131 174.900 0.075 0.000 1.126 131 G CA -0.001 45.146 45.100 0.078 0.000 0.778 131 G HN 0.233 nan 8.290 nan 0.000 0.543 132 R N -0.154 120.418 120.500 0.119 0.000 2.275 132 R HA 0.081 4.421 4.340 0.000 0.000 0.199 132 R C 0.410 176.707 176.300 -0.005 0.000 0.989 132 R CA 0.067 56.204 56.100 0.062 0.000 1.016 132 R CB -0.235 30.135 30.300 0.115 0.000 0.918 132 R HN 0.279 nan 8.270 nan 0.000 0.473 133 V N 2.730 122.675 119.914 0.051 0.000 2.465 133 V HA 0.094 4.214 4.120 0.000 0.000 0.279 133 V C 0.471 176.542 176.094 -0.038 0.000 1.045 133 V CA -0.912 61.394 62.300 0.012 0.000 0.938 133 V CB 1.336 33.199 31.823 0.068 0.000 0.986 133 V HN -0.030 nan 8.190 nan 0.000 0.467 134 L N 8.564 129.725 121.223 -0.102 0.000 2.513 134 L HA 0.159 4.499 4.340 0.000 0.000 0.272 134 L C -1.075 175.698 176.870 -0.162 0.000 1.187 134 L CA -1.443 53.302 54.840 -0.160 0.000 0.895 134 L CB 0.320 42.192 42.059 -0.312 0.000 1.147 134 L HN 0.429 nan 8.230 nan 0.000 0.483 135 P HA -0.263 nan 4.420 nan 0.000 0.217 135 P C 1.348 178.602 177.300 -0.075 0.000 1.162 135 P CA 2.439 65.504 63.100 -0.059 0.000 0.901 135 P CB 0.232 31.915 31.700 -0.029 0.000 0.793 136 A N -0.635 122.115 122.820 -0.118 0.000 1.978 136 A HA -0.154 4.166 4.320 0.000 0.000 0.220 136 A C 2.302 179.816 177.584 -0.117 0.000 1.170 136 A CA 2.205 54.197 52.037 -0.073 0.000 0.636 136 A CB -1.582 17.423 19.000 0.008 0.000 0.810 136 A HN 0.229 nan 8.150 nan 0.000 0.448 137 A N -0.715 121.873 122.820 -0.386 0.000 1.930 137 A HA 0.043 4.363 4.320 0.000 0.000 0.217 137 A C 2.089 179.746 177.584 0.121 0.000 1.175 137 A CA 1.582 53.504 52.037 -0.191 0.000 0.627 137 A CB -0.520 18.271 19.000 -0.348 0.000 0.815 137 A HN 0.625 nan 8.150 nan 0.000 0.443 138 L N -0.236 121.009 121.223 0.038 0.000 2.093 138 L HA -0.017 4.323 4.340 0.000 0.000 0.208 138 L C 2.636 179.568 176.870 0.104 0.000 1.085 138 L CA 2.050 56.937 54.840 0.078 0.000 0.755 138 L CB -0.738 41.334 42.059 0.022 0.000 0.904 138 L HN 0.333 nan 8.230 nan 0.000 0.435 139 A N -0.930 121.932 122.820 0.070 0.000 1.902 139 A HA -0.200 4.120 4.320 0.000 0.000 0.217 139 A C 1.960 179.598 177.584 0.090 0.000 1.181 139 A CA 1.789 53.868 52.037 0.070 0.000 0.623 139 A CB -0.779 18.255 19.000 0.056 0.000 0.818 139 A HN 0.493 nan 8.150 nan 0.000 0.443 140 D N -1.759 118.706 120.400 0.109 0.000 2.264 140 D HA -0.113 4.527 4.640 0.000 0.000 0.208 140 D C 1.068 177.333 176.300 -0.058 0.000 0.966 140 D CA 0.727 54.757 54.000 0.050 0.000 0.864 140 D CB -0.249 40.602 40.800 0.084 0.000 0.933 140 D HN 0.750 nan 8.370 nan 0.000 0.499 141 W N 0.578 121.874 121.300 -0.006 0.000 3.316 141 W HA 0.148 4.808 4.660 0.000 0.000 0.327 141 W C 0.121 176.589 176.519 -0.086 0.000 1.232 141 W CA 0.053 57.361 57.345 -0.062 0.000 1.805 141 W CB 0.517 29.923 29.460 -0.091 0.000 1.090 141 W HN -0.331 nan 8.180 nan 0.000 0.654 142 T N 1.299 115.929 114.554 0.127 0.000 2.758 142 T HA 0.118 4.468 4.350 0.000 0.000 0.285 142 T C 0.076 174.803 174.700 0.044 0.000 0.981 142 T CA -0.698 61.442 62.100 0.067 0.000 0.965 142 T CB 1.009 69.903 68.868 0.045 0.000 0.927 142 T HN -0.055 nan 8.240 nan 0.000 0.448 143 D N 1.737 122.160 120.400 0.039 0.000 2.325 143 D HA 0.048 4.688 4.640 0.000 0.000 0.262 143 D C 0.724 177.044 176.300 0.034 0.000 1.263 143 D CA -0.491 53.530 54.000 0.035 0.000 1.020 143 D CB 0.312 41.139 40.800 0.044 0.000 1.117 143 D HN 0.491 nan 8.370 nan 0.000 0.545 144 D N -2.373 118.048 120.400 0.035 0.000 2.340 144 D HA 0.028 4.668 4.640 0.000 0.000 0.220 144 D C 0.682 176.996 176.300 0.024 0.000 1.039 144 D CA 0.109 54.128 54.000 0.032 0.000 0.866 144 D CB -0.020 40.801 40.800 0.035 0.000 0.913 144 D HN 0.242 nan 8.370 nan 0.000 0.523 145 E N -0.135 120.078 120.200 0.023 0.000 2.474 145 E HA 0.282 4.633 4.350 0.000 0.000 0.195 145 E C 1.588 178.192 176.600 0.007 0.000 1.039 145 E CA 0.461 56.870 56.400 0.016 0.000 0.881 145 E CB 0.332 30.044 29.700 0.020 0.000 0.970 145 E HN 0.310 nan 8.360 nan 0.000 0.486 146 G N 1.195 110.000 108.800 0.007 0.000 2.157 146 G HA2 -0.336 3.624 3.960 0.000 0.000 0.248 146 G HA3 -0.336 3.624 3.960 0.000 0.000 0.248 146 G C 0.121 175.011 174.900 -0.016 0.000 0.979 146 G CA -0.027 45.071 45.100 -0.004 0.000 0.650 146 G HN 0.187 nan 8.290 nan 0.000 0.529 147 R N -0.054 120.442 120.500 -0.007 0.000 2.308 147 R HA 0.473 4.813 4.340 0.000 0.000 0.305 147 R C 0.155 176.441 176.300 -0.024 0.000 1.053 147 R CA -0.504 55.584 56.100 -0.019 0.000 0.957 147 R CB 1.663 31.967 30.300 0.007 0.000 1.022 147 R HN 0.069 nan 8.270 nan 0.000 0.461 148 V N 5.491 125.359 119.914 -0.077 0.000 2.389 148 V HA 0.079 4.199 4.120 0.000 0.000 0.264 148 V C 1.356 177.360 176.094 -0.150 0.000 1.049 148 V CA -0.134 62.102 62.300 -0.106 0.000 0.932 148 V CB 0.901 32.600 31.823 -0.207 0.000 1.011 148 V HN 0.778 nan 8.190 nan 0.000 0.475 149 R N 3.204 123.658 120.500 -0.078 0.000 2.091 149 R HA 0.085 4.425 4.340 0.000 0.000 0.238 149 R C 0.764 176.688 176.300 -0.626 0.000 1.136 149 R CA 1.598 57.583 56.100 -0.193 0.000 0.959 149 R CB 0.018 30.281 30.300 -0.062 0.000 0.856 149 R HN 0.798 nan 8.270 nan 0.000 0.437 150 A N -0.810 121.528 122.820 -0.803 0.000 2.581 150 A HA 0.533 4.853 4.320 0.000 0.000 0.290 150 A C -1.519 175.542 177.584 -0.871 0.000 1.119 150 A CA -0.878 50.550 52.037 -1.016 0.000 0.670 150 A CB 0.563 18.469 19.000 -1.822 0.000 1.280 150 A HN 0.062 nan 8.150 nan 0.000 0.425 151 F N 1.253 120.884 119.950 -0.532 0.000 2.444 151 F HA 0.407 4.934 4.527 0.000 0.000 0.360 151 F C -1.989 173.615 175.800 -0.327 0.000 1.106 151 F CA -1.386 56.450 58.000 -0.273 0.000 1.170 151 F CB 0.619 39.560 39.000 -0.097 0.000 1.113 151 F HN 0.190 nan 8.300 nan 0.000 0.521 152 P HA -0.008 nan 4.420 nan 0.000 0.268 152 P C -0.613 176.832 177.300 0.240 0.000 1.208 152 P CA 0.545 63.485 63.100 -0.266 0.000 0.777 152 P CB 0.838 32.478 31.700 -0.100 0.000 0.875 153 Y N 0.907 121.213 120.300 0.010 0.000 3.341 153 Y HA 0.309 4.859 4.550 0.000 0.000 0.179 153 Y C 0.007 176.049 175.900 0.238 0.000 0.929 153 Y CA 0.142 58.274 58.100 0.053 0.000 1.758 153 Y CB 0.091 38.449 38.460 -0.171 0.000 1.446 153 Y HN 0.089 nan 8.280 nan 0.000 0.337 154 F N 1.234 121.185 119.950 0.001 0.000 2.370 154 F HA 0.629 5.156 4.527 0.000 0.000 0.324 154 F C 0.601 176.446 175.800 0.075 0.000 1.116 154 F CA -0.754 57.212 58.000 -0.057 0.000 1.123 154 F CB 0.723 39.694 39.000 -0.049 0.000 1.238 154 F HN 0.174 nan 8.300 nan 0.000 0.536 155 A N 0.708 123.632 122.820 0.174 0.000 2.529 155 A HA 0.739 5.059 4.320 0.000 0.000 0.296 155 A C -1.078 176.504 177.584 -0.003 0.000 1.205 155 A CA -0.582 51.533 52.037 0.130 0.000 0.671 155 A CB 1.844 20.970 19.000 0.209 0.000 1.301 155 A HN 0.631 nan 8.150 nan 0.000 0.450 156 T N 0.611 115.136 114.554 -0.048 0.000 3.032 156 T HA 0.521 4.871 4.350 0.000 0.000 0.312 156 T C -1.801 172.883 174.700 -0.027 0.000 1.078 156 T CA -0.651 61.425 62.100 -0.041 0.000 1.028 156 T CB 0.672 69.549 68.868 0.015 0.000 1.091 156 T HN 0.564 nan 8.240 nan 0.000 0.457 157 N N 3.233 121.925 118.700 -0.012 0.000 2.419 157 N HA 0.345 5.085 4.740 0.000 0.000 0.277 157 N C -1.296 174.285 175.510 0.117 0.000 1.006 157 N CA -0.462 52.609 53.050 0.035 0.000 0.923 157 N CB 1.297 39.791 38.487 0.012 0.000 1.140 157 N HN 0.607 nan 8.380 nan 0.000 0.488 158 W N 6.225 127.495 121.300 -0.049 0.000 2.319 158 W HA 0.327 4.987 4.660 0.000 0.000 0.288 158 W C -2.651 173.859 176.519 -0.014 0.000 0.959 158 W CA -1.785 55.541 57.345 -0.030 0.000 1.784 158 W CB 0.621 30.064 29.460 -0.028 0.000 1.848 158 W HN 0.414 nan 8.180 nan 0.000 0.408 159 P HA 0.412 nan 4.420 nan 0.000 0.332 159 P C -0.931 176.479 177.300 0.184 0.000 1.298 159 P CA -0.186 63.029 63.100 0.191 0.000 0.755 159 P CB 2.287 34.063 31.700 0.127 0.000 1.465 160 V N -0.328 119.674 119.914 0.146 0.000 2.409 160 V HA 0.538 4.658 4.120 0.000 0.000 0.291 160 V C 0.313 176.348 176.094 -0.098 0.000 1.020 160 V CA -0.866 61.451 62.300 0.028 0.000 0.848 160 V CB 0.758 32.615 31.823 0.056 0.000 0.990 160 V HN 0.697 nan 8.190 nan 0.000 0.430 161 A N 4.790 127.473 122.820 -0.228 0.000 2.328 161 A HA 0.755 5.075 4.320 0.000 0.000 0.284 161 A C -1.139 176.343 177.584 -0.169 0.000 1.160 161 A CA -0.171 51.761 52.037 -0.175 0.000 0.818 161 A CB 0.129 18.881 19.000 -0.413 0.000 1.087 161 A HN 0.747 nan 8.150 nan 0.000 0.504 162 Y N 2.112 122.525 120.300 0.188 0.000 2.328 162 Y HA 0.258 4.808 4.550 0.000 0.000 0.333 162 Y C 0.528 176.577 175.900 0.248 0.000 0.958 162 Y CA -0.764 57.461 58.100 0.209 0.000 1.167 162 Y CB 1.462 39.983 38.460 0.102 0.000 1.151 162 Y HN 0.729 nan 8.280 nan 0.000 0.470 163 N N 3.762 122.680 118.700 0.363 0.000 2.415 163 N HA 0.029 4.769 4.740 0.000 0.000 0.250 163 N C 0.867 176.477 175.510 0.166 0.000 1.127 163 N CA 0.050 53.232 53.050 0.220 0.000 0.945 163 N CB 0.551 39.014 38.487 -0.040 0.000 1.196 163 N HN 0.631 nan 8.380 nan 0.000 0.499 164 R N 2.857 123.462 120.500 0.175 0.000 2.115 164 R HA -0.053 4.287 4.340 0.000 0.000 0.230 164 R C 1.609 177.907 176.300 -0.003 0.000 1.111 164 R CA 0.990 57.143 56.100 0.088 0.000 0.976 164 R CB -0.964 29.388 30.300 0.087 0.000 0.870 164 R HN 0.622 nan 8.270 nan 0.000 0.445 165 A N 1.525 124.294 122.820 -0.085 0.000 1.858 165 A HA -0.109 4.211 4.320 0.000 0.000 0.216 165 A C 2.189 179.681 177.584 -0.153 0.000 1.190 165 A CA 1.036 52.912 52.037 -0.269 0.000 0.617 165 A CB -0.458 18.075 19.000 -0.778 0.000 0.827 165 A HN 0.088 nan 8.150 nan 0.000 0.443 166 L N -0.954 120.206 121.223 -0.106 0.000 2.083 166 L HA -0.127 4.213 4.340 0.000 0.000 0.209 166 L C 2.523 179.370 176.870 -0.039 0.000 1.083 166 L CA 1.238 56.034 54.840 -0.072 0.000 0.752 166 L CB -1.391 40.626 42.059 -0.070 0.000 0.899 166 L HN 0.297 nan 8.230 nan 0.000 0.433 167 L N 0.091 121.307 121.223 -0.012 0.000 2.046 167 L HA -0.205 4.135 4.340 0.000 0.000 0.208 167 L C 2.262 179.119 176.870 -0.021 0.000 1.077 167 L CA 1.677 56.517 54.840 0.002 0.000 0.747 167 L CB -0.959 41.118 42.059 0.031 0.000 0.896 167 L HN 0.231 nan 8.230 nan 0.000 0.432 168 D N -1.286 119.093 120.400 -0.034 0.000 2.144 168 D HA -0.163 4.477 4.640 0.000 0.000 0.200 168 D C 2.333 178.605 176.300 -0.046 0.000 0.978 168 D CA 0.671 54.646 54.000 -0.041 0.000 0.833 168 D CB -0.063 40.705 40.800 -0.053 0.000 0.961 168 D HN 0.206 nan 8.370 nan 0.000 0.470 169 R N 0.539 121.005 120.500 -0.056 0.000 2.083 169 R HA -0.041 4.299 4.340 0.000 0.000 0.237 169 R C 1.040 177.317 176.300 -0.038 0.000 1.137 169 R CA 1.132 57.201 56.100 -0.052 0.000 0.951 169 R CB -0.066 30.198 30.300 -0.059 0.000 0.851 169 R HN 0.119 nan 8.270 nan 0.000 0.434 170 A N -0.943 121.857 122.820 -0.034 0.000 2.251 170 A HA 0.371 4.691 4.320 0.000 0.000 0.278 170 A C 0.900 178.468 177.584 -0.027 0.000 1.206 170 A CA 0.135 52.155 52.037 -0.028 0.000 0.822 170 A CB 0.100 19.085 19.000 -0.024 0.000 1.187 170 A HN 0.446 nan 8.150 nan 0.000 0.504 171 G N -0.982 107.803 108.800 -0.025 0.000 3.440 171 G HA2 0.415 4.375 3.960 0.000 0.000 0.263 171 G HA3 0.415 4.375 3.960 0.000 0.000 0.263 171 G C -0.192 174.693 174.900 -0.026 0.000 1.236 171 G CA 0.049 45.134 45.100 -0.024 0.000 0.927 171 G HN 0.465 nan 8.290 nan 0.000 0.530 172 V N 1.293 121.192 119.914 -0.026 0.000 2.368 172 V HA 0.146 4.266 4.120 0.000 0.000 0.266 172 V C 0.388 176.464 176.094 -0.030 0.000 1.045 172 V CA -0.451 61.831 62.300 -0.029 0.000 0.899 172 V CB 1.280 33.088 31.823 -0.025 0.000 1.006 172 V HN 0.240 nan 8.190 nan 0.000 0.470 173 D N 3.288 123.668 120.400 -0.033 0.000 2.271 173 D HA 0.187 4.827 4.640 0.000 0.000 0.206 173 D C 0.782 177.057 176.300 -0.042 0.000 0.967 173 D CA 0.883 54.863 54.000 -0.033 0.000 0.867 173 D CB 0.833 41.616 40.800 -0.029 0.000 0.960 173 D HN 0.639 nan 8.370 nan 0.000 0.509 174 A N 0.246 123.032 122.820 -0.057 0.000 2.454 174 A HA 0.559 4.879 4.320 0.000 0.000 0.302 174 A C -0.371 177.136 177.584 -0.127 0.000 1.079 174 A CA -0.644 51.345 52.037 -0.080 0.000 0.731 174 A CB 1.340 20.297 19.000 -0.072 0.000 1.299 174 A HN -0.010 nan 8.150 nan 0.000 0.413 175 I N 3.314 123.766 120.570 -0.197 0.000 2.668 175 I HA 0.124 4.294 4.170 0.000 0.000 0.285 175 I C -1.536 174.386 176.117 -0.325 0.000 1.168 175 I CA -0.910 60.160 61.300 -0.384 0.000 1.424 175 I CB 0.659 38.316 38.000 -0.573 0.000 1.377 175 I HN 0.473 nan 8.210 nan 0.000 0.560 176 P HA 0.036 nan 4.420 nan 0.000 0.268 176 P C -0.021 177.165 177.300 -0.191 0.000 1.205 176 P CA -0.005 62.983 63.100 -0.188 0.000 0.771 176 P CB 1.057 32.673 31.700 -0.141 0.000 0.858 177 T N -0.417 114.066 114.554 -0.119 0.000 3.004 177 T HA 0.132 4.482 4.350 0.000 0.000 0.266 177 T C 0.528 175.202 174.700 -0.042 0.000 0.986 177 T CA 0.376 62.428 62.100 -0.080 0.000 0.902 177 T CB 0.181 69.011 68.868 -0.063 0.000 1.118 177 T HN 0.704 nan 8.240 nan 0.000 0.522 178 T N -2.282 112.248 114.554 -0.040 0.000 2.896 178 T HA 0.614 4.964 4.350 0.000 0.000 0.297 178 T C 1.500 176.218 174.700 0.030 0.000 1.108 178 T CA -0.089 62.014 62.100 0.005 0.000 1.004 178 T CB 1.506 70.379 68.868 0.009 0.000 1.159 178 T HN -0.096 nan 8.240 nan 0.000 0.499 179 G N 0.982 109.869 108.800 0.145 0.000 2.529 179 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 179 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 179 G C 0.964 175.915 174.900 0.085 0.000 1.177 179 G CA 1.213 46.455 45.100 0.236 0.000 0.773 179 G HN 0.809 nan 8.290 nan 0.000 0.573 180 D N 0.401 120.854 120.400 0.088 0.000 2.123 180 D HA -0.095 4.545 4.640 0.000 0.000 0.196 180 D C 2.742 179.034 176.300 -0.013 0.000 0.992 180 D CA 1.097 55.122 54.000 0.041 0.000 0.833 180 D CB -0.364 40.470 40.800 0.056 0.000 0.954 180 D HN 0.471 nan 8.370 nan 0.000 0.455 181 Q N -0.328 119.458 119.800 -0.023 0.000 2.119 181 Q HA -0.104 4.236 4.340 0.000 0.000 0.201 181 Q C 2.195 178.149 176.000 -0.077 0.000 0.972 181 Q CA 0.498 56.272 55.803 -0.049 0.000 0.847 181 Q CB -0.129 28.574 28.738 -0.057 0.000 0.903 181 Q HN 0.196 nan 8.270 nan 0.000 0.433 182 L N 0.904 122.065 121.223 -0.103 0.000 2.017 182 L HA -0.161 4.179 4.340 0.000 0.000 0.208 182 L C 1.960 178.738 176.870 -0.155 0.000 1.073 182 L CA 1.638 56.381 54.840 -0.161 0.000 0.745 182 L CB -0.372 41.529 42.059 -0.263 0.000 0.894 182 L HN 0.187 nan 8.230 nan 0.000 0.432 183 I N -0.463 120.022 120.570 -0.142 0.000 2.226 183 I HA -0.276 3.894 4.170 0.000 0.000 0.245 183 I C 2.565 178.620 176.117 -0.105 0.000 1.100 183 I CA 1.157 62.366 61.300 -0.150 0.000 1.374 183 I CB -0.626 37.274 38.000 -0.165 0.000 1.057 183 I HN 0.361 nan 8.210 nan 0.000 0.413 184 A N 0.673 123.447 122.820 -0.076 0.000 1.933 184 A HA -0.145 4.175 4.320 0.000 0.000 0.218 184 A C 2.505 180.056 177.584 -0.055 0.000 1.175 184 A CA 1.831 53.835 52.037 -0.055 0.000 0.628 184 A CB -0.714 18.262 19.000 -0.041 0.000 0.814 184 A HN 0.440 nan 8.150 nan 0.000 0.444 185 A N -0.346 122.437 122.820 -0.063 0.000 1.929 185 A HA 0.272 4.592 4.320 0.000 0.000 0.216 185 A C 2.445 179.997 177.584 -0.053 0.000 1.176 185 A CA 1.716 53.722 52.037 -0.052 0.000 0.628 185 A CB -0.825 18.146 19.000 -0.048 0.000 0.816 185 A HN 0.967 nan 8.150 nan 0.000 0.444 186 A N -0.490 122.283 122.820 -0.078 0.000 1.930 186 A HA -0.096 4.224 4.320 0.000 0.000 0.217 186 A C 2.226 179.773 177.584 -0.061 0.000 1.175 186 A CA 1.239 53.228 52.037 -0.080 0.000 0.627 186 A CB -0.390 18.533 19.000 -0.129 0.000 0.815 186 A HN 0.351 nan 8.150 nan 0.000 0.443 187 R N 0.189 120.652 120.500 -0.061 0.000 2.070 187 R HA -0.071 4.269 4.340 0.000 0.000 0.233 187 R C 2.009 178.288 176.300 -0.035 0.000 1.137 187 R CA 1.693 57.765 56.100 -0.046 0.000 0.945 187 R CB -0.656 29.617 30.300 -0.045 0.000 0.845 187 R HN 0.574 nan 8.270 nan 0.000 0.430 188 K N 0.469 120.848 120.400 -0.034 0.000 2.097 188 K HA -0.068 4.252 4.320 0.000 0.000 0.206 188 K C 2.247 178.832 176.600 -0.025 0.000 1.049 188 K CA 0.953 57.223 56.287 -0.028 0.000 0.933 188 K CB -0.148 32.335 32.500 -0.028 0.000 0.717 188 K HN 0.088 nan 8.250 nan 0.000 0.442 189 L N 0.285 121.492 121.223 -0.026 0.000 2.056 189 L HA -0.174 4.166 4.340 0.000 0.000 0.207 189 L C 2.421 179.279 176.870 -0.021 0.000 1.078 189 L CA 1.308 56.135 54.840 -0.022 0.000 0.749 189 L CB -0.220 41.828 42.059 -0.019 0.000 0.901 189 L HN 0.102 nan 8.230 nan 0.000 0.433 190 R N -0.418 120.069 120.500 -0.022 0.000 2.115 190 R HA -0.069 4.271 4.340 0.000 0.000 0.230 190 R C 2.341 178.632 176.300 -0.016 0.000 1.111 190 R CA 1.056 57.146 56.100 -0.017 0.000 0.976 190 R CB -0.376 29.913 30.300 -0.018 0.000 0.870 190 R HN 0.328 nan 8.270 nan 0.000 0.445 191 A N 0.771 123.580 122.820 -0.018 0.000 2.067 191 A HA -0.147 4.173 4.320 0.000 0.000 0.219 191 A C 1.884 179.459 177.584 -0.016 0.000 1.158 191 A CA 1.277 53.305 52.037 -0.016 0.000 0.661 191 A CB -0.053 18.937 19.000 -0.017 0.000 0.801 191 A HN 0.013 nan 8.150 nan 0.000 0.452 192 K N -1.491 118.899 120.400 -0.018 0.000 2.404 192 K HA 0.254 4.574 4.320 0.000 0.000 0.194 192 K C 0.976 177.565 176.600 -0.018 0.000 1.023 192 K CA 0.789 57.064 56.287 -0.019 0.000 1.094 192 K CB -0.059 32.427 32.500 -0.023 0.000 0.841 192 K HN 0.688 nan 8.250 nan 0.000 0.523 193 G N 0.531 109.322 108.800 -0.015 0.000 2.157 193 G HA2 -0.246 3.714 3.960 0.000 0.000 0.248 193 G HA3 -0.246 3.714 3.960 0.000 0.000 0.248 193 G C 0.003 174.894 174.900 -0.014 0.000 0.979 193 G CA 0.242 45.334 45.100 -0.013 0.000 0.650 193 G HN 0.243 nan 8.290 nan 0.000 0.529 194 I N 1.565 122.125 120.570 -0.017 0.000 2.365 194 I HA 0.579 4.749 4.170 0.000 0.000 0.291 194 I C 1.015 177.126 176.117 -0.010 0.000 1.004 194 I CA -0.436 60.853 61.300 -0.020 0.000 1.311 194 I CB 1.638 39.622 38.000 -0.028 0.000 1.401 194 I HN 0.267 nan 8.210 nan 0.000 0.491 195 A N 9.431 132.249 122.820 -0.003 0.000 2.440 195 A HA 0.400 4.720 4.320 0.000 0.000 0.251 195 A C -1.831 175.765 177.584 0.020 0.000 1.089 195 A CA -0.954 51.092 52.037 0.014 0.000 0.779 195 A CB -0.090 18.927 19.000 0.027 0.000 1.022 195 A HN 0.548 nan 8.150 nan 0.000 0.492 196 P HA 0.028 nan 4.420 nan 0.000 0.199 196 P C 0.037 177.374 177.300 0.062 0.000 1.059 196 P CA 0.424 63.534 63.100 0.016 0.000 0.723 196 P CB -0.018 31.663 31.700 -0.032 0.000 0.680 197 V N 0.913 120.871 119.914 0.073 0.000 2.368 197 V HA 0.207 4.327 4.120 0.000 0.000 0.266 197 V C 0.815 177.079 176.094 0.283 0.000 1.045 197 V CA -0.012 62.405 62.300 0.196 0.000 0.899 197 V CB 0.096 32.086 31.823 0.279 0.000 1.006 197 V HN 0.321 nan 8.190 nan 0.000 0.470 198 T N 4.713 119.396 114.554 0.215 0.000 2.882 198 T HA 0.666 5.016 4.350 0.000 0.000 0.287 198 T C -0.764 173.994 174.700 0.096 0.000 0.992 198 T CA -0.228 61.961 62.100 0.147 0.000 1.076 198 T CB 1.311 70.250 68.868 0.118 0.000 0.961 198 T HN 0.638 nan 8.240 nan 0.000 0.490 199 V N 3.063 122.961 119.914 -0.027 0.000 3.177 199 V HA 0.717 4.837 4.120 0.000 0.000 0.287 199 V C -0.082 175.823 176.094 -0.315 0.000 1.465 199 V CA -0.305 61.893 62.300 -0.170 0.000 1.020 199 V CB 2.039 33.743 31.823 -0.198 0.000 1.152 199 V HN 1.064 nan 8.190 nan 0.000 0.448 200 G N 2.691 111.277 108.800 -0.357 0.000 2.741 200 G HA2 0.439 4.399 3.960 0.000 0.000 0.301 200 G HA3 0.439 4.399 3.960 0.000 0.000 0.301 200 G C 0.980 175.601 174.900 -0.464 0.000 0.834 200 G CA 0.282 45.165 45.100 -0.361 0.000 1.683 200 G HN 1.599 nan 8.290 nan 0.000 0.506 201 G N 1.876 110.318 108.800 -0.598 0.000 2.498 201 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 201 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 201 G C 1.215 175.930 174.900 -0.308 0.000 1.119 201 G CA 0.342 44.974 45.100 -0.780 0.000 0.766 201 G HN 0.572 nan 8.290 nan 0.000 0.552 202 N N 0.496 119.069 118.700 -0.213 0.000 2.380 202 N HA 0.180 4.920 4.740 0.000 0.000 0.255 202 N C -0.747 174.717 175.510 -0.076 0.000 1.158 202 N CA -0.178 52.811 53.050 -0.101 0.000 0.878 202 N CB 0.336 38.782 38.487 -0.069 0.000 1.138 202 N HN 0.449 nan 8.380 nan 0.000 0.509 203 D N -2.475 117.858 120.400 -0.112 0.000 2.779 203 D HA 0.024 4.664 4.640 0.000 0.000 0.331 203 D C 1.307 177.571 176.300 -0.059 0.000 1.331 203 D CA -0.756 53.215 54.000 -0.048 0.000 0.866 203 D CB -0.466 40.300 40.800 -0.057 0.000 1.409 203 D HN 0.032 nan 8.370 nan 0.000 0.486 204 W N 0.386 121.680 121.300 -0.010 0.000 2.313 204 W HA -0.257 4.403 4.660 0.000 0.000 0.293 204 W C 1.231 177.785 176.519 0.059 0.000 1.216 204 W CA 2.796 60.153 57.345 0.021 0.000 1.223 204 W CB -2.170 27.311 29.460 0.035 0.000 1.138 204 W HN 0.507 nan 8.180 nan 0.000 0.535 205 T N -0.618 113.472 114.554 -0.775 0.000 2.674 205 T HA -0.039 4.311 4.350 0.000 0.000 0.265 205 T C 2.260 176.809 174.700 -0.252 0.000 1.039 205 T CA 2.051 63.794 62.100 -0.594 0.000 1.150 205 T CB -1.381 67.011 68.868 -0.793 0.000 0.864 205 T HN 0.206 nan 8.240 nan 0.000 0.427 206 G N 1.499 110.120 108.800 -0.299 0.000 2.418 206 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 206 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 206 G C 1.618 176.509 174.900 -0.016 0.000 1.158 206 G CA 1.211 46.172 45.100 -0.231 0.000 0.771 206 G HN 0.672 nan 8.290 nan 0.000 0.545 207 Q N 0.654 120.438 119.800 -0.025 0.000 2.045 207 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 207 Q C 2.350 178.317 176.000 -0.054 0.000 0.991 207 Q CA 2.177 57.983 55.803 0.005 0.000 0.851 207 Q CB -0.365 28.413 28.738 0.067 0.000 0.911 207 Q HN 0.316 nan 8.270 nan 0.000 0.418 208 K N -0.356 120.004 120.400 -0.065 0.000 2.057 208 K HA -0.005 4.315 4.320 0.000 0.000 0.206 208 K C 1.837 178.258 176.600 -0.299 0.000 1.050 208 K CA 1.023 57.172 56.287 -0.231 0.000 0.935 208 K CB -0.573 31.715 32.500 -0.353 0.000 0.715 208 K HN 0.325 nan 8.250 nan 0.000 0.439 209 L N 0.606 121.702 121.223 -0.211 0.000 2.083 209 L HA -0.067 4.274 4.340 0.000 0.000 0.209 209 L C 1.773 178.480 176.870 -0.273 0.000 1.083 209 L CA 1.529 56.220 54.840 -0.249 0.000 0.752 209 L CB -0.431 41.542 42.059 -0.143 0.000 0.899 209 L HN 0.229 nan 8.230 nan 0.000 0.433 210 L N -0.815 120.272 121.223 -0.227 0.000 2.093 210 L HA -0.119 4.221 4.340 0.000 0.000 0.208 210 L C 2.389 179.091 176.870 -0.280 0.000 1.085 210 L CA 1.590 56.174 54.840 -0.427 0.000 0.755 210 L CB -0.619 41.109 42.059 -0.552 0.000 0.904 210 L HN 0.417 nan 8.230 nan 0.000 0.435 211 A N -0.446 122.262 122.820 -0.186 0.000 1.898 211 A HA -0.280 4.040 4.320 0.000 0.000 0.216 211 A C 2.195 179.708 177.584 -0.120 0.000 1.181 211 A CA 1.621 53.598 52.037 -0.099 0.000 0.620 211 A CB -0.535 18.259 19.000 -0.343 0.000 0.819 211 A HN 0.631 nan 8.150 nan 0.000 0.442 212 Q N -0.406 119.256 119.800 -0.230 0.000 2.084 212 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 212 Q C 1.810 177.721 176.000 -0.147 0.000 0.978 212 Q CA 1.745 57.416 55.803 -0.219 0.000 0.844 212 Q CB -0.201 28.345 28.738 -0.319 0.000 0.898 212 Q HN 0.524 nan 8.270 nan 0.000 0.426 213 I N 1.004 121.448 120.570 -0.209 0.000 2.179 213 I HA -0.264 3.906 4.170 0.000 0.000 0.242 213 I C 2.364 178.580 176.117 0.165 0.000 1.088 213 I CA 1.248 62.499 61.300 -0.081 0.000 1.357 213 I CB -1.186 36.784 38.000 -0.050 0.000 1.051 213 I HN 0.344 nan 8.210 nan 0.000 0.409 214 I N 0.411 121.057 120.570 0.126 0.000 2.286 214 I HA -0.292 3.878 4.170 0.000 0.000 0.248 214 I C 2.259 178.534 176.117 0.264 0.000 1.115 214 I CA 1.125 62.569 61.300 0.240 0.000 1.392 214 I CB -0.472 37.653 38.000 0.208 0.000 1.065 214 I HN 0.306 nan 8.210 nan 0.000 0.418 215 Q N 0.177 120.092 119.800 0.192 0.000 2.561 215 Q HA -0.124 4.216 4.340 0.000 0.000 0.217 215 Q C 1.851 177.986 176.000 0.225 0.000 0.980 215 Q CA 0.976 56.901 55.803 0.205 0.000 0.927 215 Q CB -0.224 28.598 28.738 0.141 0.000 0.980 215 Q HN 0.495 nan 8.270 nan 0.000 0.525 216 T N -0.007 114.634 114.554 0.144 0.000 2.849 216 T HA -0.135 4.215 4.350 0.000 0.000 0.270 216 T C 0.453 174.964 174.700 -0.314 0.000 1.066 216 T CA 1.084 63.155 62.100 -0.048 0.000 1.130 216 T CB -0.048 68.692 68.868 -0.214 0.000 0.864 216 T HN 0.240 nan 8.240 nan 0.000 0.481 217 F N 0.481 120.505 119.950 0.122 0.000 2.735 217 F HA 0.487 5.014 4.527 0.000 0.000 0.304 217 F C 0.011 175.811 175.800 0.001 0.000 1.119 217 F CA -0.521 57.494 58.000 0.025 0.000 1.280 217 F CB 0.202 39.223 39.000 0.035 0.000 0.994 217 F HN -0.041 nan 8.300 nan 0.000 0.520 218 L N 0.050 121.353 121.223 0.134 0.000 2.410 218 L HA 0.452 4.793 4.340 0.000 0.000 0.270 218 L C 0.295 177.195 176.870 0.051 0.000 0.983 218 L CA -0.938 53.960 54.840 0.097 0.000 0.822 218 L CB 2.209 44.356 42.059 0.146 0.000 1.285 218 L HN 0.050 nan 8.230 nan 0.000 0.409 219 S N 1.124 116.821 115.700 -0.005 0.000 2.624 219 S HA 0.183 4.653 4.470 0.000 0.000 0.263 219 S C 0.700 175.351 174.600 0.085 0.000 1.287 219 S CA -0.484 57.727 58.200 0.018 0.000 0.990 219 S CB 1.441 64.633 63.200 -0.014 0.000 0.950 219 S HN 0.630 nan 8.310 nan 0.000 0.561 220 Q N 0.998 120.861 119.800 0.104 0.000 2.077 220 Q HA -0.103 4.237 4.340 0.000 0.000 0.206 220 Q C 1.585 177.572 176.000 -0.022 0.000 0.989 220 Q CA 2.390 58.223 55.803 0.050 0.000 0.853 220 Q CB -0.760 28.011 28.738 0.055 0.000 0.907 220 Q HN 0.899 nan 8.270 nan 0.000 0.418 221 D N -0.237 120.152 120.400 -0.018 0.000 2.117 221 D HA -0.118 4.522 4.640 0.000 0.000 0.198 221 D C 1.617 177.892 176.300 -0.042 0.000 0.982 221 D CA 1.041 55.011 54.000 -0.050 0.000 0.828 221 D CB 0.111 40.893 40.800 -0.030 0.000 0.967 221 D HN 0.315 nan 8.370 nan 0.000 0.464 222 E N 0.197 120.389 120.200 -0.014 0.000 2.085 222 E HA -0.187 4.163 4.350 0.000 0.000 0.194 222 E C 2.080 178.687 176.600 0.010 0.000 0.994 222 E CA 1.002 57.405 56.400 0.006 0.000 0.801 222 E CB -0.116 29.589 29.700 0.008 0.000 0.743 222 E HN 0.253 nan 8.360 nan 0.000 0.453 223 A N 1.281 124.111 122.820 0.016 0.000 1.972 223 A HA -0.177 4.143 4.320 0.000 0.000 0.219 223 A C 2.016 179.603 177.584 0.004 0.000 1.169 223 A CA 1.177 53.252 52.037 0.063 0.000 0.635 223 A CB -0.319 18.744 19.000 0.104 0.000 0.810 223 A HN 0.077 nan 8.150 nan 0.000 0.446 224 R N -1.656 118.745 120.500 -0.165 0.000 2.092 224 R HA -0.129 4.211 4.340 0.000 0.000 0.231 224 R C 2.254 178.424 176.300 -0.217 0.000 1.119 224 R CA 1.557 57.396 56.100 -0.434 0.000 0.970 224 R CB -0.496 29.409 30.300 -0.659 0.000 0.864 224 R HN 0.810 nan 8.270 nan 0.000 0.440 225 H N 0.616 119.566 119.070 -0.200 0.000 2.326 225 H HA -0.035 4.521 4.556 0.000 0.000 0.301 225 H C 1.822 177.004 175.328 -0.243 0.000 1.081 225 H CA 1.619 57.564 56.048 -0.172 0.000 1.334 225 H CB -0.167 29.505 29.762 -0.149 0.000 1.385 225 H HN -0.100 nan 8.280 nan 0.000 0.504 226 V N 0.100 119.722 119.914 -0.486 0.000 2.287 226 V HA -0.296 3.824 4.120 0.000 0.000 0.248 226 V C 1.865 177.358 176.094 -1.001 0.000 1.053 226 V CA 2.132 63.926 62.300 -0.843 0.000 1.027 226 V CB -0.786 30.573 31.823 -0.774 0.000 0.646 226 V HN 0.493 nan 8.190 nan 0.000 0.447 227 Y N -0.351 119.715 120.300 -0.390 0.000 2.583 227 Y HA -0.010 4.540 4.550 0.000 0.000 0.293 227 Y C 2.577 178.495 175.900 0.029 0.000 1.157 227 Y CA 0.941 58.963 58.100 -0.132 0.000 1.315 227 Y CB -0.058 38.416 38.460 0.024 0.000 1.021 227 Y HN 0.156 nan 8.280 nan 0.000 0.536 228 S N -1.313 114.374 115.700 -0.021 0.000 2.387 228 S HA -0.084 4.386 4.470 0.000 0.000 0.221 228 S C 2.025 176.614 174.600 -0.019 0.000 1.041 228 S CA 1.447 59.687 58.200 0.067 0.000 0.959 228 S CB -0.166 63.057 63.200 0.038 0.000 0.843 228 S HN 0.376 nan 8.310 nan 0.000 0.488 229 T N 0.287 114.649 114.554 -0.320 0.000 2.937 229 T HA 0.243 4.593 4.350 0.000 0.000 0.260 229 T C 1.501 175.857 174.700 -0.575 0.000 1.051 229 T CA 1.046 62.912 62.100 -0.390 0.000 1.141 229 T CB -0.314 68.188 68.868 -0.610 0.000 0.879 229 T HN 0.582 nan 8.240 nan 0.000 0.459 230 G N 2.057 110.226 108.800 -1.052 0.000 2.141 230 G HA2 -0.208 3.752 3.960 0.000 0.000 0.231 230 G HA3 -0.208 3.752 3.960 0.000 0.000 0.231 230 G C -0.069 174.356 174.900 -0.791 0.000 0.984 230 G CA 0.103 44.264 45.100 -1.564 0.000 0.660 230 G HN 0.555 nan 8.290 nan 0.000 0.525 231 D N 0.057 119.981 120.400 -0.793 0.000 2.522 231 D HA 0.473 5.113 4.640 0.000 0.000 0.218 231 D C 0.657 176.617 176.300 -0.566 0.000 1.149 231 D CA -0.830 52.866 54.000 -0.506 0.000 0.981 231 D CB -0.669 39.885 40.800 -0.410 0.000 1.041 231 D HN 0.144 nan 8.370 nan 0.000 0.518 232 F N 0.997 120.772 119.950 -0.292 0.000 2.701 232 F HA 0.313 4.840 4.527 0.000 0.000 0.295 232 F C 2.012 177.730 175.800 -0.136 0.000 1.165 232 F CA -0.364 57.498 58.000 -0.230 0.000 1.399 232 F CB 0.828 39.691 39.000 -0.228 0.000 0.996 232 F HN 0.450 nan 8.300 nan 0.000 0.513 233 G N -0.318 108.471 108.800 -0.018 0.000 3.020 233 G HA2 0.165 4.125 3.960 0.000 0.000 0.217 233 G HA3 0.165 4.125 3.960 0.000 0.000 0.217 233 G C 0.594 175.484 174.900 -0.017 0.000 1.144 233 G CA 0.264 45.360 45.100 -0.006 0.000 0.760 233 G HN 0.170 nan 8.290 nan 0.000 0.548 234 V N -1.154 118.741 119.914 -0.033 0.000 3.178 234 V HA 0.235 4.355 4.120 0.000 0.000 0.306 234 V C 1.776 177.861 176.094 -0.015 0.000 1.107 234 V CA 0.118 62.406 62.300 -0.020 0.000 1.195 234 V CB 0.895 32.711 31.823 -0.013 0.000 0.993 234 V HN 0.310 nan 8.190 nan 0.000 0.493 235 R N 2.497 122.985 120.500 -0.022 0.000 2.103 235 R HA -0.105 4.235 4.340 0.000 0.000 0.242 235 R C 2.103 178.385 176.300 -0.030 0.000 1.142 235 R CA 2.252 58.331 56.100 -0.035 0.000 0.960 235 R CB -1.043 29.231 30.300 -0.044 0.000 0.858 235 R HN 1.040 nan 8.270 nan 0.000 0.439 236 G N -0.393 108.413 108.800 0.009 0.000 2.422 236 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 236 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 236 G C 1.486 176.458 174.900 0.120 0.000 1.146 236 G CA 0.698 45.845 45.100 0.077 0.000 0.769 236 G HN 0.491 nan 8.290 nan 0.000 0.547 237 A N 0.718 123.586 122.820 0.080 0.000 1.898 237 A HA 0.044 4.364 4.320 0.000 0.000 0.216 237 A C 2.438 180.100 177.584 0.130 0.000 1.181 237 A CA 1.470 53.583 52.037 0.126 0.000 0.620 237 A CB -0.314 18.738 19.000 0.086 0.000 0.819 237 A HN 0.343 nan 8.150 nan 0.000 0.442 238 R N -1.377 119.161 120.500 0.064 0.000 2.153 238 R HA 0.043 4.383 4.340 0.000 0.000 0.218 238 R C 1.809 178.119 176.300 0.016 0.000 1.072 238 R CA 0.761 56.885 56.100 0.040 0.000 0.990 238 R CB -0.305 29.997 30.300 0.004 0.000 0.889 238 R HN 0.383 nan 8.270 nan 0.000 0.452 239 L N -0.178 121.008 121.223 -0.061 0.000 2.109 239 L HA 0.014 4.354 4.340 0.000 0.000 0.207 239 L C 2.166 179.049 176.870 0.021 0.000 1.086 239 L CA 1.735 56.406 54.840 -0.281 0.000 0.760 239 L CB -0.869 40.753 42.059 -0.727 0.000 0.910 239 L HN 0.194 nan 8.230 nan 0.000 0.437 240 G N -1.170 107.845 108.800 0.359 0.000 2.430 240 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 240 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 240 G C 1.684 176.847 174.900 0.439 0.000 1.146 240 G CA 0.537 46.015 45.100 0.630 0.000 0.793 240 G HN 0.368 nan 8.290 nan 0.000 0.537 241 I N 1.402 122.132 120.570 0.267 0.000 2.315 241 I HA -0.156 4.014 4.170 0.000 0.000 0.248 241 I C 2.953 179.226 176.117 0.260 0.000 1.117 241 I CA 1.647 63.069 61.300 0.203 0.000 1.404 241 I CB -0.156 37.898 38.000 0.090 0.000 1.071 241 I HN 0.456 nan 8.210 nan 0.000 0.419 242 E N 0.482 120.813 120.200 0.219 0.000 2.072 242 E HA -0.293 4.057 4.350 0.000 0.000 0.190 242 E C 2.293 179.080 176.600 0.310 0.000 0.982 242 E CA 1.116 57.634 56.400 0.196 0.000 0.803 242 E CB -0.755 29.006 29.700 0.102 0.000 0.755 242 E HN 0.481 nan 8.360 nan 0.000 0.453 243 Y N 1.311 121.778 120.300 0.279 0.000 2.165 243 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 243 Y C 1.940 178.044 175.900 0.340 0.000 1.155 243 Y CA 1.470 59.790 58.100 0.368 0.000 1.164 243 Y CB -0.654 38.134 38.460 0.547 0.000 0.978 243 Y HN 0.166 nan 8.280 nan 0.000 0.513 244 F N 0.565 120.583 119.950 0.113 0.000 2.075 244 F HA -0.135 4.392 4.527 0.000 0.000 0.297 244 F C 2.416 178.228 175.800 0.020 0.000 1.113 244 F CA 1.985 59.966 58.000 -0.032 0.000 1.218 244 F CB -1.051 37.914 39.000 -0.059 0.000 0.984 244 F HN 0.061 nan 8.300 nan 0.000 0.472 245 A N -0.252 122.591 122.820 0.039 0.000 1.892 245 A HA -0.318 4.002 4.320 0.000 0.000 0.218 245 A C 2.380 179.947 177.584 -0.028 0.000 1.188 245 A CA 2.095 54.118 52.037 -0.024 0.000 0.631 245 A CB -1.713 17.351 19.000 0.107 0.000 0.822 245 A HN 0.731 nan 8.150 nan 0.000 0.447 246 H N -0.396 118.645 119.070 -0.049 0.000 2.290 246 H HA -0.110 4.446 4.556 0.000 0.000 0.298 246 H C 2.021 177.288 175.328 -0.102 0.000 1.087 246 H CA 1.748 57.781 56.048 -0.025 0.000 1.291 246 H CB -0.113 29.695 29.762 0.078 0.000 1.369 246 H HN 0.433 nan 8.280 nan 0.000 0.492 247 L N 0.291 121.377 121.223 -0.229 0.000 2.046 247 L HA -0.189 4.151 4.340 0.000 0.000 0.208 247 L C 2.995 179.662 176.870 -0.338 0.000 1.077 247 L CA 1.321 55.947 54.840 -0.357 0.000 0.747 247 L CB -0.444 41.401 42.059 -0.357 0.000 0.896 247 L HN 0.281 nan 8.230 nan 0.000 0.432 248 R N 0.391 120.701 120.500 -0.316 0.000 2.070 248 R HA -0.182 4.158 4.340 0.000 0.000 0.233 248 R C 1.765 178.024 176.300 -0.068 0.000 1.137 248 R CA 2.049 58.071 56.100 -0.130 0.000 0.945 248 R CB -0.218 29.858 30.300 -0.374 0.000 0.845 248 R HN 0.280 nan 8.270 nan 0.000 0.430 249 D N 0.188 120.540 120.400 -0.081 0.000 2.263 249 D HA -0.089 4.551 4.640 0.000 0.000 0.208 249 D C 1.244 177.515 176.300 -0.048 0.000 0.971 249 D CA 1.259 55.243 54.000 -0.027 0.000 0.867 249 D CB 0.024 40.833 40.800 0.016 0.000 0.929 249 D HN 0.404 nan 8.370 nan 0.000 0.492 250 A N -0.490 122.257 122.820 -0.121 0.000 2.251 250 A HA 0.449 4.769 4.320 0.000 0.000 0.209 250 A C 1.615 179.126 177.584 -0.121 0.000 1.187 250 A CA 0.798 52.751 52.037 -0.140 0.000 0.823 250 A CB -0.114 18.733 19.000 -0.255 0.000 0.846 250 A HN 0.202 nan 8.150 nan 0.000 0.486 251 G N -1.494 107.246 108.800 -0.100 0.000 2.142 251 G HA2 -0.217 3.743 3.960 0.000 0.000 0.225 251 G HA3 -0.217 3.743 3.960 0.000 0.000 0.225 251 G C 0.729 175.545 174.900 -0.140 0.000 1.015 251 G CA 0.288 45.344 45.100 -0.072 0.000 0.716 251 G HN 0.560 nan 8.290 nan 0.000 0.508 252 V N -0.723 119.014 119.914 -0.295 0.000 2.626 252 V HA 0.170 4.290 4.120 0.000 0.000 0.252 252 V C 1.332 177.132 176.094 -0.490 0.000 1.067 252 V CA 1.449 63.470 62.300 -0.465 0.000 1.081 252 V CB -0.460 30.940 31.823 -0.705 0.000 0.686 252 V HN 0.369 nan 8.190 nan 0.000 0.468 253 F N -0.173 119.827 119.950 0.084 0.000 2.425 253 F HA 0.694 5.221 4.527 0.000 0.000 0.331 253 F C 0.730 176.571 175.800 0.068 0.000 1.085 253 F CA -1.177 56.897 58.000 0.122 0.000 1.028 253 F CB 0.474 39.603 39.000 0.215 0.000 1.177 253 F HN -0.056 nan 8.300 nan 0.000 0.487 254 A N 1.392 124.353 122.820 0.236 0.000 2.536 254 A HA 0.086 4.406 4.320 0.000 0.000 0.234 254 A C 0.034 177.688 177.584 0.116 0.000 1.076 254 A CA -0.492 51.620 52.037 0.125 0.000 0.769 254 A CB -0.151 18.902 19.000 0.088 0.000 1.020 254 A HN 0.693 nan 8.150 nan 0.000 0.508 255 D N 1.314 121.757 120.400 0.072 0.000 2.472 255 D HA 0.134 4.774 4.640 0.000 0.000 0.237 255 D C 0.567 176.898 176.300 0.052 0.000 1.141 255 D CA 1.177 55.214 54.000 0.062 0.000 0.875 255 D CB 0.420 41.243 40.800 0.039 0.000 1.192 255 D HN 0.671 nan 8.370 nan 0.000 0.450 256 K N -0.668 119.765 120.400 0.055 0.000 3.071 256 K HA -0.275 4.045 4.320 0.000 0.000 0.262 256 K C 0.631 177.237 176.600 0.010 0.000 0.977 256 K CA 0.877 57.187 56.287 0.037 0.000 0.721 256 K CB -2.106 30.407 32.500 0.021 0.000 1.293 256 K HN 0.344 nan 8.250 nan 0.000 0.475 257 A N 1.658 124.489 122.820 0.019 0.000 2.019 257 A HA -0.262 4.058 4.320 0.000 0.000 0.219 257 A C 2.360 179.826 177.584 -0.196 0.000 1.164 257 A CA 1.578 53.558 52.037 -0.095 0.000 0.644 257 A CB -0.359 18.586 19.000 -0.091 0.000 0.805 257 A HN 0.776 nan 8.150 nan 0.000 0.449 258 Q N -0.453 119.312 119.800 -0.059 0.000 2.368 258 Q HA -0.109 4.231 4.340 0.000 0.000 0.210 258 Q C 1.321 177.281 176.000 -0.067 0.000 0.982 258 Q CA 1.786 57.571 55.803 -0.029 0.000 0.884 258 Q CB -0.695 28.091 28.738 0.081 0.000 0.933 258 Q HN 0.494 nan 8.270 nan 0.000 0.460 259 G N 0.692 109.452 108.800 -0.067 0.000 3.324 259 G HA2 0.365 4.325 3.960 0.000 0.000 0.251 259 G HA3 0.365 4.325 3.960 0.000 0.000 0.251 259 G C 0.292 175.145 174.900 -0.078 0.000 1.072 259 G CA -0.471 44.595 45.100 -0.057 0.000 0.787 259 G HN 0.107 nan 8.290 nan 0.000 0.537 260 L N 1.154 122.303 121.223 -0.123 0.000 2.439 260 L HA 0.615 4.956 4.340 0.000 0.000 0.259 260 L C 0.855 177.632 176.870 -0.154 0.000 1.129 260 L CA -0.522 54.243 54.840 -0.125 0.000 0.803 260 L CB 1.600 43.575 42.059 -0.140 0.000 1.161 260 L HN 0.160 nan 8.230 nan 0.000 0.462 261 T N -3.878 110.596 114.554 -0.133 0.000 2.887 261 T HA 0.148 4.498 4.350 0.000 0.000 0.292 261 T C 0.722 175.317 174.700 -0.176 0.000 1.087 261 T CA -0.226 61.783 62.100 -0.151 0.000 1.009 261 T CB 1.543 70.366 68.868 -0.075 0.000 1.203 261 T HN 0.451 nan 8.240 nan 0.000 0.518 262 S N -0.067 115.491 115.700 -0.236 0.000 2.407 262 S HA -0.208 4.262 4.470 0.000 0.000 0.235 262 S C 1.420 175.959 174.600 -0.102 0.000 1.036 262 S CA 2.098 60.150 58.200 -0.246 0.000 1.013 262 S CB -0.981 62.102 63.200 -0.195 0.000 0.820 262 S HN 0.709 nan 8.310 nan 0.000 0.476 263 D N 0.966 121.337 120.400 -0.048 0.000 2.078 263 D HA -0.038 4.602 4.640 0.000 0.000 0.193 263 D C 1.436 177.723 176.300 -0.021 0.000 0.990 263 D CA 1.237 55.227 54.000 -0.016 0.000 0.827 263 D CB -0.433 40.367 40.800 -0.001 0.000 0.975 263 D HN 0.592 nan 8.370 nan 0.000 0.451 267 T N 2.206 116.788 114.554 0.047 0.000 2.812 267 T HA 0.021 4.372 4.350 0.000 0.000 0.264 267 T C 1.912 176.644 174.700 0.053 0.000 1.042 267 T CA 1.649 63.775 62.100 0.044 0.000 1.140 267 T CB -0.273 68.608 68.868 0.022 0.000 0.870 267 T HN 0.443 nan 8.240 nan 0.000 0.445 268 Q N -0.535 119.301 119.800 0.059 0.000 2.119 268 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 268 Q C 1.952 177.997 176.000 0.075 0.000 0.972 268 Q CA 1.230 57.066 55.803 0.055 0.000 0.847 268 Q CB -0.178 28.592 28.738 0.054 0.000 0.903 268 Q HN 0.498 nan 8.270 nan 0.000 0.433 269 F N 1.447 121.394 119.950 -0.005 0.000 2.187 269 F HA -0.084 4.443 4.527 0.000 0.000 0.295 269 F C 1.764 177.567 175.800 0.006 0.000 1.091 269 F CA 0.912 58.913 58.000 0.002 0.000 1.308 269 F CB 0.016 39.012 39.000 -0.006 0.000 1.030 269 F HN 0.036 nan 8.300 nan 0.000 0.487 270 N N -0.231 118.597 118.700 0.212 0.000 2.289 270 N HA -0.135 4.605 4.740 0.000 0.000 0.184 270 N C 1.704 177.221 175.510 0.013 0.000 1.016 270 N CA 1.805 54.928 53.050 0.121 0.000 0.872 270 N CB -0.922 37.628 38.487 0.105 0.000 0.973 270 N HN 0.439 nan 8.380 nan 0.000 0.433 271 T N -2.144 112.405 114.554 -0.007 0.000 3.086 271 T HA 0.179 4.530 4.350 0.000 0.000 0.250 271 T C 0.126 174.789 174.700 -0.062 0.000 1.074 271 T CA -0.220 61.866 62.100 -0.023 0.000 0.988 271 T CB -0.108 68.755 68.868 -0.008 0.000 0.988 271 T HN 0.181 nan 8.240 nan 0.000 0.530 272 E N 0.151 120.269 120.200 -0.137 0.000 2.389 272 E HA -0.212 4.138 4.350 0.000 0.000 0.243 272 E C 0.372 176.899 176.600 -0.122 0.000 1.154 272 E CA 0.491 56.777 56.400 -0.190 0.000 0.723 272 E CB -1.221 28.410 29.700 -0.115 0.000 1.261 272 E HN 0.505 nan 8.360 nan 0.000 0.390 273 E N -0.249 119.896 120.200 -0.092 0.000 2.364 273 E HA 0.240 4.590 4.350 0.000 0.000 0.196 273 E C 0.081 176.657 176.600 -0.040 0.000 0.990 273 E CA 0.955 57.326 56.400 -0.048 0.000 0.886 273 E CB 0.747 30.435 29.700 -0.021 0.000 0.866 273 E HN 0.417 nan 8.360 nan 0.000 0.493 274 A N -0.600 122.186 122.820 -0.057 0.000 2.401 274 A HA 0.753 5.073 4.320 0.000 0.000 0.310 274 A C 0.263 177.800 177.584 -0.079 0.000 1.075 274 A CA -0.038 51.996 52.037 -0.006 0.000 0.746 274 A CB 1.623 20.673 19.000 0.085 0.000 1.277 274 A HN 0.088 nan 8.150 nan 0.000 0.425 275 A N 1.086 123.901 122.820 -0.008 0.000 2.220 275 A HA 0.531 4.851 4.320 0.000 0.000 0.211 275 A C 0.355 178.062 177.584 0.205 0.000 1.176 275 A CA 0.673 52.704 52.037 -0.009 0.000 0.834 275 A CB 0.041 19.051 19.000 0.017 0.000 0.868 275 A HN 0.968 nan 8.150 nan 0.000 0.488 276 V N -0.005 120.065 119.914 0.259 0.000 2.876 276 V HA 0.590 4.710 4.120 0.000 0.000 0.312 276 V C -0.708 175.506 176.094 0.200 0.000 1.085 276 V CA -0.629 61.784 62.300 0.189 0.000 0.945 276 V CB 1.790 33.590 31.823 -0.038 0.000 1.017 276 V HN 0.514 nan 8.190 nan 0.000 0.428 277 Q N 1.975 121.744 119.800 -0.051 0.000 2.364 277 Q HA 0.461 4.801 4.340 0.000 0.000 0.257 277 Q C -1.575 174.347 176.000 -0.129 0.000 0.956 277 Q CA -0.271 55.462 55.803 -0.116 0.000 0.924 277 Q CB 2.115 30.630 28.738 -0.371 0.000 1.413 277 Q HN 0.775 nan 8.270 nan 0.000 0.418 278 S N 2.557 118.287 115.700 0.050 0.000 2.475 278 S HA 0.925 5.395 4.470 0.000 0.000 0.281 278 S C -0.846 173.842 174.600 0.147 0.000 1.198 278 S CA 0.637 58.929 58.200 0.153 0.000 1.063 278 S CB 0.951 64.293 63.200 0.237 0.000 0.972 278 S HN 0.845 nan 8.310 nan 0.000 0.486 282 S N 1.611 117.189 115.700 -0.204 0.000 2.400 282 S HA 0.001 4.471 4.470 0.000 0.000 0.232 282 S C 1.781 176.298 174.600 -0.137 0.000 1.025 282 S CA 1.632 59.722 58.200 -0.184 0.000 0.993 282 S CB -0.182 62.904 63.200 -0.191 0.000 0.808 282 S HN 0.640 nan 8.310 nan 0.000 0.478 283 A N 0.232 122.958 122.820 -0.156 0.000 2.021 283 A HA 0.253 4.573 4.320 0.000 0.000 0.216 283 A C 1.793 179.321 177.584 -0.094 0.000 1.163 283 A CA 0.497 52.467 52.037 -0.112 0.000 0.676 283 A CB -0.333 18.586 19.000 -0.135 0.000 0.818 283 A HN 0.473 nan 8.150 nan 0.000 0.453 284 L N -0.487 120.668 121.223 -0.113 0.000 2.291 284 L HA 0.021 4.361 4.340 0.000 0.000 0.214 284 L C 2.707 179.577 176.870 0.001 0.000 1.120 284 L CA 1.491 56.282 54.840 -0.081 0.000 0.799 284 L CB -0.809 41.196 42.059 -0.090 0.000 0.925 284 L HN 0.386 nan 8.230 nan 0.000 0.446 285 A N -1.394 121.441 122.820 0.025 0.000 2.119 285 A HA -0.094 4.227 4.320 0.000 0.000 0.217 285 A C 2.069 179.751 177.584 0.163 0.000 1.153 285 A CA 0.950 53.081 52.037 0.157 0.000 0.692 285 A CB -0.264 18.813 19.000 0.129 0.000 0.799 285 A HN 0.224 nan 8.150 nan 0.000 0.458 286 K N -0.039 120.406 120.400 0.075 0.000 2.404 286 K HA 0.170 4.490 4.320 0.000 0.000 0.194 286 K C -0.053 176.580 176.600 0.055 0.000 1.023 286 K CA 0.014 56.340 56.287 0.065 0.000 1.094 286 K CB 0.229 32.752 32.500 0.038 0.000 0.841 286 K HN 0.297 nan 8.250 nan 0.000 0.523 287 V N 4.131 124.079 119.914 0.056 0.000 2.529 287 V HA 0.025 4.145 4.120 0.000 0.000 0.292 287 V C -2.144 173.981 176.094 0.051 0.000 1.028 287 V CA -1.269 61.077 62.300 0.076 0.000 1.074 287 V CB 0.151 32.036 31.823 0.103 0.000 0.958 287 V HN 0.077 nan 8.190 nan 0.000 0.481 288 P HA -0.014 nan 4.420 nan 0.000 0.263 288 P C 1.048 178.339 177.300 -0.016 0.000 1.175 288 P CA 0.027 63.133 63.100 0.010 0.000 0.761 288 P CB 0.454 32.160 31.700 0.009 0.000 0.794 289 E N 4.994 125.176 120.200 -0.029 0.000 2.097 289 E HA -0.300 4.050 4.350 0.000 0.000 0.196 289 E C 1.514 178.071 176.600 -0.072 0.000 1.000 289 E CA 1.678 58.050 56.400 -0.047 0.000 0.804 289 E CB -0.608 29.064 29.700 -0.047 0.000 0.740 289 E HN 0.483 nan 8.360 nan 0.000 0.454 290 K N 0.967 121.328 120.400 -0.064 0.000 2.063 290 K HA -0.110 4.210 4.320 0.000 0.000 0.208 290 K C 2.263 178.726 176.600 -0.228 0.000 1.048 290 K CA 1.524 57.763 56.287 -0.080 0.000 0.928 290 K CB 0.091 32.576 32.500 -0.024 0.000 0.713 290 K HN 0.062 nan 8.250 nan 0.000 0.442 291 V N 0.953 120.742 119.914 -0.208 0.000 2.323 291 V HA -0.146 3.974 4.120 0.000 0.000 0.244 291 V C 2.372 178.263 176.094 -0.339 0.000 1.041 291 V CA 1.765 63.864 62.300 -0.335 0.000 1.025 291 V CB -0.516 31.249 31.823 -0.096 0.000 0.656 291 V HN 0.469 nan 8.190 nan 0.000 0.451 292 A N 0.773 123.516 122.820 -0.128 0.000 2.024 292 A HA -0.122 4.198 4.320 0.000 0.000 0.220 292 A C 2.392 179.918 177.584 -0.096 0.000 1.164 292 A CA 1.833 53.842 52.037 -0.047 0.000 0.643 292 A CB -1.196 17.799 19.000 -0.008 0.000 0.806 292 A HN 0.546 nan 8.150 nan 0.000 0.451 293 G N -0.112 108.582 108.800 -0.177 0.000 2.475 293 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 293 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 293 G C 1.053 175.927 174.900 -0.045 0.000 1.125 293 G CA 1.187 46.220 45.100 -0.113 0.000 0.755 293 G HN 0.945 nan 8.290 nan 0.000 0.565 294 H N -1.147 117.950 119.070 0.044 0.000 2.505 294 H HA 0.382 4.938 4.556 0.000 0.000 0.260 294 H C -0.725 174.650 175.328 0.078 0.000 1.168 294 H CA -0.324 55.751 56.048 0.045 0.000 0.945 294 H CB -0.319 29.456 29.762 0.022 0.000 1.800 294 H HN -0.032 nan 8.280 nan 0.000 0.586 295 T N 1.159 115.791 114.554 0.131 0.000 2.885 295 T HA 0.381 4.731 4.350 0.000 0.000 0.285 295 T C -0.199 174.604 174.700 0.170 0.000 1.019 295 T CA -0.596 61.626 62.100 0.202 0.000 1.010 295 T CB 2.839 71.845 68.868 0.229 0.000 1.022 295 T HN 0.399 nan 8.240 nan 0.000 0.466 296 E N 0.759 121.085 120.200 0.211 0.000 2.343 296 E HA 0.625 4.975 4.350 0.000 0.000 0.270 296 E C -0.987 175.749 176.600 0.226 0.000 0.895 296 E CA -1.033 55.473 56.400 0.178 0.000 0.767 296 E CB 2.403 32.193 29.700 0.149 0.000 1.248 296 E HN 0.478 nan 8.360 nan 0.000 0.440 297 V N -1.199 118.821 119.914 0.176 0.000 2.769 297 V HA 1.017 5.137 4.120 0.000 0.000 0.312 297 V C 0.068 176.286 176.094 0.205 0.000 1.058 297 V CA -0.091 62.323 62.300 0.190 0.000 0.952 297 V CB 1.333 33.222 31.823 0.110 0.000 1.019 297 V HN 0.811 nan 8.190 nan 0.000 0.445 298 G N 1.463 110.424 108.800 0.269 0.000 2.578 298 G HA2 0.742 4.702 3.960 0.000 0.000 0.302 298 G HA3 0.742 4.702 3.960 0.000 0.000 0.302 298 G C -0.383 174.674 174.900 0.263 0.000 1.243 298 G CA -0.195 45.041 45.100 0.225 0.000 0.843 298 G HN 1.329 nan 8.290 nan 0.000 0.486 299 G N -1.660 107.282 108.800 0.238 0.000 2.820 299 G HA2 0.498 4.458 3.960 0.000 0.000 0.291 299 G HA3 0.498 4.458 3.960 0.000 0.000 0.291 299 G C -1.065 174.031 174.900 0.327 0.000 1.323 299 G CA -0.786 44.464 45.100 0.249 0.000 1.055 299 G HN 0.540 nan 8.290 nan 0.000 0.520 300 W N 1.215 122.599 121.300 0.141 0.000 2.311 300 W HA 0.387 5.047 4.660 0.000 0.000 0.310 300 W C -2.368 174.245 176.519 0.158 0.000 1.274 300 W CA -2.024 55.419 57.345 0.162 0.000 1.215 300 W CB 0.947 30.484 29.460 0.129 0.000 1.227 300 W HN 0.183 nan 8.180 nan 0.000 0.523 301 P HA -0.121 nan 4.420 nan 0.000 0.261 301 P C -0.160 177.225 177.300 0.142 0.000 1.165 301 P CA 0.944 63.990 63.100 -0.089 0.000 0.759 301 P CB 0.362 31.912 31.700 -0.251 0.000 0.772 302 L N 2.240 123.519 121.223 0.094 0.000 2.399 302 L HA 0.539 4.879 4.340 0.000 0.000 0.266 302 L C 0.894 177.715 176.870 -0.082 0.000 1.114 302 L CA -0.675 54.182 54.840 0.028 0.000 0.804 302 L CB 0.771 42.816 42.059 -0.023 0.000 1.146 302 L HN 0.355 nan 8.230 nan 0.000 0.451 303 A N 1.258 123.820 122.820 -0.430 0.000 2.294 303 A HA 0.306 4.626 4.320 0.000 0.000 0.330 303 A C -0.440 177.028 177.584 -0.194 0.000 1.133 303 A CA -0.681 51.070 52.037 -0.477 0.000 0.836 303 A CB 0.568 18.862 19.000 -1.177 0.000 1.190 303 A HN 0.732 nan 8.150 nan 0.000 0.492 304 D N -0.147 120.240 120.400 -0.022 0.000 2.423 304 D HA 0.326 4.966 4.640 0.000 0.000 0.238 304 D C 1.272 177.663 176.300 0.153 0.000 1.142 304 D CA 2.055 56.081 54.000 0.042 0.000 0.884 304 D CB 0.651 41.481 40.800 0.051 0.000 1.199 304 D HN 1.135 nan 8.370 nan 0.000 0.438 305 G N 1.349 110.222 108.800 0.122 0.000 2.153 305 G HA2 -0.226 3.734 3.960 0.000 0.000 0.252 305 G HA3 -0.226 3.734 3.960 0.000 0.000 0.252 305 G C 0.513 175.578 174.900 0.275 0.000 0.994 305 G CA 0.390 45.608 45.100 0.197 0.000 0.698 305 G HN 0.804 nan 8.290 nan 0.000 0.521 306 A N -0.294 122.533 122.820 0.012 0.000 2.475 306 A HA 0.664 4.984 4.320 0.000 0.000 0.239 306 A C 1.530 179.056 177.584 -0.097 0.000 1.087 306 A CA 1.178 53.060 52.037 -0.259 0.000 0.779 306 A CB 0.373 19.215 19.000 -0.264 0.000 1.036 306 A HN 1.884 nan 8.150 nan 0.000 0.506 307 A N 0.873 123.570 122.820 -0.206 0.000 2.460 307 A HA 0.416 4.736 4.320 0.000 0.000 0.258 307 A C 0.399 177.659 177.584 -0.539 0.000 1.300 307 A CA -0.040 51.820 52.037 -0.296 0.000 0.913 307 A CB -0.256 18.556 19.000 -0.313 0.000 1.031 307 A HN 0.775 nan 8.150 nan 0.000 0.512 308 H N -1.447 117.607 119.070 -0.028 0.000 2.928 308 H HA 0.215 4.771 4.556 0.000 0.000 0.371 308 H C -0.544 174.779 175.328 -0.009 0.000 1.186 308 H CA -0.779 55.262 56.048 -0.012 0.000 1.134 308 H CB 1.528 31.283 29.762 -0.011 0.000 1.824 308 H HN 0.125 nan 8.280 nan 0.000 0.554 309 D N 1.082 121.568 120.400 0.144 0.000 2.317 309 D HA 0.041 4.681 4.640 0.000 0.000 0.211 309 D C 1.393 177.738 176.300 0.075 0.000 0.966 309 D CA 0.844 54.891 54.000 0.079 0.000 0.876 309 D CB -0.034 40.806 40.800 0.065 0.000 0.927 309 D HN 0.828 nan 8.370 nan 0.000 0.519 310 G N 1.662 110.524 108.800 0.104 0.000 2.583 310 G HA2 -0.258 3.702 3.960 0.000 0.000 0.965 310 G HA3 -0.258 3.702 3.960 0.000 0.000 0.965 310 G C -2.231 172.703 174.900 0.056 0.000 1.335 310 G CA -0.751 44.396 45.100 0.077 0.000 0.911 310 G HN 0.102 nan 8.290 nan 0.000 0.528 311 P HA 0.236 nan 4.420 nan 0.000 0.269 311 P C 0.615 177.970 177.300 0.093 0.000 1.217 311 P CA 0.798 63.956 63.100 0.098 0.000 0.783 311 P CB 0.397 32.159 31.700 0.103 0.000 0.898 312 T N -1.714 112.916 114.554 0.126 0.000 2.929 312 T HA 0.669 5.019 4.350 0.000 0.000 0.284 312 T C -0.179 174.566 174.700 0.074 0.000 1.014 312 T CA -0.674 61.448 62.100 0.037 0.000 1.051 312 T CB 0.868 69.710 68.868 -0.044 0.000 1.028 312 T HN 0.312 nan 8.240 nan 0.000 0.485 313 V N -0.560 119.355 119.914 0.001 0.000 2.971 313 V HA 0.682 4.802 4.120 0.000 0.000 0.309 313 V C -0.660 175.401 176.094 -0.056 0.000 1.130 313 V CA -1.402 60.912 62.300 0.024 0.000 0.964 313 V CB 1.386 33.250 31.823 0.070 0.000 1.029 313 V HN 1.024 nan 8.190 nan 0.000 0.427 314 I N 2.926 123.444 120.570 -0.086 0.000 2.472 314 I HA 0.656 4.826 4.170 0.000 0.000 0.290 314 I C 0.300 176.399 176.117 -0.031 0.000 1.016 314 I CA -0.206 60.996 61.300 -0.164 0.000 1.348 314 I CB 1.321 39.039 38.000 -0.469 0.000 1.417 314 I HN 0.787 nan 8.210 nan 0.000 0.521 315 R N 4.577 125.025 120.500 -0.086 0.000 2.548 315 R HA 0.781 5.121 4.340 0.000 0.000 0.280 315 R C -1.885 174.281 176.300 -0.224 0.000 1.061 315 R CA -0.436 55.580 56.100 -0.140 0.000 0.915 315 R CB 1.880 32.074 30.300 -0.177 0.000 1.210 315 R HN 0.749 nan 8.270 nan 0.000 0.442 316 A N 2.757 125.412 122.820 -0.275 0.000 2.469 316 A HA 0.588 4.909 4.320 0.000 0.000 0.299 316 A C -1.596 175.774 177.584 -0.356 0.000 1.098 316 A CA -0.524 51.373 52.037 -0.234 0.000 0.737 316 A CB 1.132 20.098 19.000 -0.056 0.000 1.312 316 A HN 0.771 nan 8.150 nan 0.000 0.414 317 Y N -0.104 120.241 120.300 0.075 0.000 2.675 317 Y HA 0.152 4.702 4.550 0.000 0.000 0.248 317 Y C 1.706 177.756 175.900 0.250 0.000 1.161 317 Y CA 0.523 58.718 58.100 0.158 0.000 1.203 317 Y CB 0.802 39.367 38.460 0.175 0.000 1.262 317 Y HN 0.650 nan 8.280 nan 0.000 0.544 318 T N -1.896 112.747 114.554 0.150 0.000 3.264 318 T HA 0.351 4.701 4.350 0.000 0.000 0.257 318 T C 0.292 175.096 174.700 0.174 0.000 0.976 318 T CA 0.023 62.084 62.100 -0.064 0.000 0.908 318 T CB -0.441 68.122 68.868 -0.508 0.000 1.082 318 T HN -0.120 nan 8.240 nan 0.000 0.567 319 L N 0.780 122.190 121.223 0.313 0.000 2.682 319 L HA 0.490 4.830 4.340 0.000 0.000 0.209 319 L C 0.961 178.051 176.870 0.366 0.000 1.195 319 L CA -1.051 53.952 54.840 0.271 0.000 0.869 319 L CB 0.037 42.239 42.059 0.239 0.000 1.599 319 L HN 0.261 nan 8.230 nan 0.000 0.518 320 I N 0.694 121.390 120.570 0.211 0.000 3.114 320 I HA 0.012 4.182 4.170 0.000 0.000 0.320 320 I C 0.664 176.726 176.117 -0.093 0.000 1.230 320 I CA 0.736 62.039 61.300 0.004 0.000 1.440 320 I CB -0.772 37.033 38.000 -0.324 0.000 1.334 320 I HN 0.586 nan 8.210 nan 0.000 0.532 321 G N 6.031 114.790 108.800 -0.068 0.000 2.733 321 G HA2 0.689 4.649 3.960 0.000 0.000 0.288 321 G HA3 0.689 4.649 3.960 0.000 0.000 0.288 321 G C -1.363 173.302 174.900 -0.390 0.000 1.373 321 G CA -0.680 44.208 45.100 -0.354 0.000 0.895 321 G HN 0.297 nan 8.290 nan 0.000 0.479 322 F N 0.289 120.146 119.950 -0.154 0.000 2.391 322 F HA 0.523 5.050 4.527 0.000 0.000 0.359 322 F C -0.613 175.208 175.800 0.036 0.000 1.122 322 F CA -0.536 57.464 58.000 -0.000 0.000 1.120 322 F CB 1.218 40.172 39.000 -0.077 0.000 1.142 322 F HN 0.262 nan 8.300 nan 0.000 0.483 323 W N 4.673 126.065 121.300 0.153 0.000 2.551 323 W HA 0.704 5.364 4.660 0.000 0.000 0.330 323 W C -0.663 175.915 176.519 0.098 0.000 1.063 323 W CA -0.867 56.554 57.345 0.126 0.000 1.222 323 W CB 0.968 30.497 29.460 0.115 0.000 1.349 323 W HN 0.180 nan 8.180 nan 0.000 0.536 324 I N 3.109 123.862 120.570 0.305 0.000 2.378 324 I HA 0.294 4.464 4.170 0.000 0.000 0.291 324 I C 0.514 176.724 176.117 0.156 0.000 0.992 324 I CA -0.784 60.619 61.300 0.170 0.000 1.154 324 I CB 1.376 39.426 38.000 0.083 0.000 1.315 324 I HN 0.447 nan 8.210 nan 0.000 0.448 325 S N 5.574 121.340 115.700 0.110 0.000 2.730 325 S HA 0.484 4.954 4.470 0.000 0.000 0.284 325 S C -2.111 172.540 174.600 0.084 0.000 1.153 325 S CA -1.272 56.996 58.200 0.113 0.000 0.995 325 S CB 1.601 64.894 63.200 0.155 0.000 1.058 325 S HN 0.332 nan 8.310 nan 0.000 0.552 326 P HA -0.016 nan 4.420 nan 0.000 0.218 326 P C 1.064 178.387 177.300 0.039 0.000 1.149 326 P CA 0.921 64.051 63.100 0.050 0.000 0.817 326 P CB -0.033 31.683 31.700 0.027 0.000 0.785 327 N N -0.669 118.050 118.700 0.032 0.000 2.188 327 N HA -0.068 4.672 4.740 0.000 0.000 0.184 327 N C 1.912 177.432 175.510 0.018 0.000 1.018 327 N CA 1.549 54.610 53.050 0.019 0.000 0.858 327 N CB -1.030 37.465 38.487 0.014 0.000 0.989 327 N HN 0.115 nan 8.380 nan 0.000 0.426 328 G N 0.381 109.195 108.800 0.024 0.000 2.484 328 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 328 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 328 G C 1.627 176.530 174.900 0.004 0.000 1.130 328 G CA 1.019 46.122 45.100 0.005 0.000 0.784 328 G HN 0.319 nan 8.290 nan 0.000 0.543 329 V N -1.335 118.597 119.914 0.030 0.000 2.649 329 V HA 0.122 4.242 4.120 0.000 0.000 0.248 329 V C 2.057 178.190 176.094 0.064 0.000 1.054 329 V CA 0.748 63.082 62.300 0.057 0.000 1.073 329 V CB -0.466 31.425 31.823 0.114 0.000 0.699 329 V HN 0.288 nan 8.190 nan 0.000 0.463 330 R N 2.790 123.317 120.500 0.045 0.000 2.386 330 R HA 0.171 4.511 4.340 0.000 0.000 0.216 330 R C 0.526 176.843 176.300 0.028 0.000 1.119 330 R CA 0.661 56.784 56.100 0.038 0.000 1.158 330 R CB -0.493 29.822 30.300 0.025 0.000 1.057 330 R HN 0.849 nan 8.270 nan 0.000 0.489 331 K N -1.145 119.272 120.400 0.029 0.000 3.564 331 K HA 0.039 4.359 4.320 0.000 0.000 0.154 331 K C -0.162 176.446 176.600 0.014 0.000 1.056 331 K CA -0.247 56.051 56.287 0.017 0.000 0.786 331 K CB -0.615 31.884 32.500 -0.001 0.000 0.802 331 K HN -0.021 nan 8.250 nan 0.000 0.451 332 I N 1.835 122.431 120.570 0.043 0.000 3.083 332 I HA -0.076 4.094 4.170 0.000 0.000 0.273 332 I C 1.449 177.603 176.117 0.061 0.000 1.297 332 I CA 1.175 62.512 61.300 0.062 0.000 1.452 332 I CB 0.101 38.176 38.000 0.125 0.000 1.078 332 I HN 0.378 nan 8.210 nan 0.000 0.484 333 E N -0.043 120.174 120.200 0.028 0.000 2.046 333 E HA -0.183 4.167 4.350 0.000 0.000 0.190 333 E C 2.015 178.588 176.600 -0.045 0.000 0.982 333 E CA 1.026 57.419 56.400 -0.011 0.000 0.800 333 E CB -0.178 29.521 29.700 -0.001 0.000 0.756 333 E HN 0.406 nan 8.360 nan 0.000 0.449 334 Q N -0.076 119.710 119.800 -0.023 0.000 2.297 334 Q HA -0.008 4.332 4.340 0.000 0.000 0.204 334 Q C 2.188 178.165 176.000 -0.039 0.000 0.962 334 Q CA 0.587 56.384 55.803 -0.009 0.000 0.879 334 Q CB -0.120 28.609 28.738 -0.015 0.000 0.947 334 Q HN 0.203 nan 8.270 nan 0.000 0.462 335 V N 0.878 120.755 119.914 -0.061 0.000 2.591 335 V HA -0.203 3.917 4.120 0.000 0.000 0.249 335 V C 2.305 178.307 176.094 -0.153 0.000 1.053 335 V CA 1.712 63.976 62.300 -0.060 0.000 1.068 335 V CB -0.346 31.481 31.823 0.006 0.000 0.689 335 V HN 0.352 nan 8.190 nan 0.000 0.462 336 E N 0.942 120.937 120.200 -0.341 0.000 2.051 336 E HA -0.249 4.101 4.350 0.000 0.000 0.192 336 E C 2.163 178.436 176.600 -0.545 0.000 0.991 336 E CA 1.694 57.534 56.400 -0.932 0.000 0.799 336 E CB -0.145 29.071 29.700 -0.806 0.000 0.748 336 E HN 0.568 nan 8.360 nan 0.000 0.449 337 K N -0.463 119.814 120.400 -0.205 0.000 2.026 337 K HA -0.149 4.171 4.320 0.000 0.000 0.208 337 K C 2.125 178.827 176.600 0.170 0.000 1.048 337 K CA 1.396 57.703 56.287 0.034 0.000 0.929 337 K CB -0.410 32.215 32.500 0.208 0.000 0.713 337 K HN 0.138 nan 8.250 nan 0.000 0.439 338 F N 1.558 121.413 119.950 -0.158 0.000 2.126 338 F HA -0.162 4.365 4.527 0.000 0.000 0.299 338 F C 1.818 177.386 175.800 -0.386 0.000 1.096 338 F CA 1.336 59.070 58.000 -0.444 0.000 1.255 338 F CB -0.068 38.591 39.000 -0.568 0.000 0.997 338 F HN -0.115 nan 8.300 nan 0.000 0.479 339 L N -0.643 120.333 121.223 -0.411 0.000 2.341 339 L HA -0.020 4.320 4.340 0.000 0.000 0.214 339 L C 2.483 179.051 176.870 -0.504 0.000 1.115 339 L CA 0.717 55.117 54.840 -0.734 0.000 0.820 339 L CB -0.419 41.103 42.059 -0.894 0.000 0.944 339 L HN -0.075 nan 8.230 nan 0.000 0.452 340 R N -1.041 119.281 120.500 -0.296 0.000 2.090 340 R HA -0.054 4.286 4.340 0.000 0.000 0.228 340 R C 1.049 177.341 176.300 -0.013 0.000 1.110 340 R CA 0.493 56.513 56.100 -0.133 0.000 0.973 340 R CB -0.193 30.027 30.300 -0.134 0.000 0.869 340 R HN 0.123 nan 8.270 nan 0.000 0.440 344 R N 2.461 122.984 120.500 0.038 0.000 2.449 344 R HA 0.070 4.410 4.340 0.000 0.000 0.296 344 R C -1.926 174.365 176.300 -0.016 0.000 1.047 344 R CA -1.139 54.947 56.100 -0.022 0.000 1.018 344 R CB 0.626 30.846 30.300 -0.133 0.000 0.962 344 R HN -0.083 nan 8.270 nan 0.000 0.428 345 P HA -0.262 nan 4.420 nan 0.000 0.218 345 P C 0.435 177.732 177.300 -0.005 0.000 1.152 345 P CA 1.449 64.548 63.100 -0.002 0.000 0.857 345 P CB 0.186 31.888 31.700 0.003 0.000 0.787 346 D N -0.805 119.581 120.400 -0.024 0.000 2.127 346 D HA -0.174 4.466 4.640 0.000 0.000 0.190 346 D C 1.699 177.974 176.300 -0.043 0.000 1.000 346 D CA 1.644 55.621 54.000 -0.037 0.000 0.839 346 D CB -0.752 40.011 40.800 -0.062 0.000 0.955 346 D HN -0.084 nan 8.370 nan 0.000 0.446 347 V N -0.217 119.642 119.914 -0.091 0.000 2.379 347 V HA -0.168 3.952 4.120 0.000 0.000 0.245 347 V C 2.711 178.921 176.094 0.193 0.000 1.044 347 V CA 1.279 63.554 62.300 -0.041 0.000 1.036 347 V CB -0.392 31.303 31.823 -0.213 0.000 0.664 347 V HN 0.175 nan 8.190 nan 0.000 0.453 348 V N 0.706 120.729 119.914 0.182 0.000 2.324 348 V HA -0.320 3.800 4.120 0.000 0.000 0.250 348 V C 2.755 178.936 176.094 0.145 0.000 1.060 348 V CA 2.219 64.629 62.300 0.183 0.000 1.042 348 V CB -1.237 30.599 31.823 0.021 0.000 0.650 348 V HN 0.570 nan 8.190 nan 0.000 0.450 349 A N -0.610 122.253 122.820 0.072 0.000 1.972 349 A HA -0.214 4.106 4.320 0.000 0.000 0.219 349 A C 2.392 180.004 177.584 0.047 0.000 1.169 349 A CA 1.529 53.594 52.037 0.045 0.000 0.635 349 A CB -0.501 18.513 19.000 0.023 0.000 0.810 349 A HN 0.419 nan 8.150 nan 0.000 0.446 350 R N -1.646 118.873 120.500 0.031 0.000 2.096 350 R HA -0.119 4.221 4.340 0.000 0.000 0.235 350 R C 1.808 178.064 176.300 -0.074 0.000 1.127 350 R CA 1.488 57.561 56.100 -0.045 0.000 0.968 350 R CB -0.574 29.649 30.300 -0.127 0.000 0.861 350 R HN 0.600 nan 8.270 nan 0.000 0.440 351 F N 0.105 120.069 119.950 0.023 0.000 2.113 351 F HA -0.191 4.336 4.527 0.000 0.000 0.297 351 F C 2.525 178.259 175.800 -0.110 0.000 1.103 351 F CA 1.081 59.072 58.000 -0.016 0.000 1.248 351 F CB -0.693 38.304 39.000 -0.005 0.000 0.999 351 F HN -0.244 nan 8.300 nan 0.000 0.475 352 V N -0.917 119.049 119.914 0.088 0.000 2.237 352 V HA -0.301 3.819 4.120 0.000 0.000 0.245 352 V C 2.288 178.387 176.094 0.008 0.000 1.046 352 V CA 2.471 64.767 62.300 -0.006 0.000 1.007 352 V CB -1.087 30.737 31.823 0.001 0.000 0.638 352 V HN 0.331 nan 8.190 nan 0.000 0.445 353 T N -1.181 113.401 114.554 0.046 0.000 2.904 353 T HA -0.156 4.194 4.350 0.000 0.000 0.267 353 T C 1.852 176.640 174.700 0.147 0.000 1.059 353 T CA 1.632 63.786 62.100 0.089 0.000 1.137 353 T CB -0.035 68.868 68.868 0.059 0.000 0.879 353 T HN 0.571 nan 8.240 nan 0.000 0.467 354 E N -0.371 119.880 120.200 0.086 0.000 2.307 354 E HA 0.120 4.470 4.350 0.000 0.000 0.195 354 E C 1.594 178.271 176.600 0.128 0.000 0.975 354 E CA 0.217 56.684 56.400 0.111 0.000 0.878 354 E CB 0.368 30.075 29.700 0.012 0.000 0.845 354 E HN 0.209 nan 8.360 nan 0.000 0.488 355 S N -1.207 114.472 115.700 -0.036 0.000 2.578 355 S HA 0.222 4.692 4.470 0.000 0.000 0.228 355 S C 0.752 174.956 174.600 -0.660 0.000 1.022 355 S CA 0.419 58.505 58.200 -0.190 0.000 0.967 355 S CB 1.511 64.673 63.200 -0.064 0.000 0.914 355 S HN 0.441 nan 8.310 nan 0.000 0.515 356 G N 2.279 110.653 108.800 -0.711 0.000 2.198 356 G HA2 -0.224 3.736 3.960 0.000 0.000 0.257 356 G HA3 -0.224 3.736 3.960 0.000 0.000 0.257 356 G C -0.160 174.449 174.900 -0.486 0.000 1.042 356 G CA -0.265 44.310 45.100 -0.875 0.000 0.791 356 G HN 0.252 nan 8.290 nan 0.000 0.502 357 R N 0.910 121.198 120.500 -0.353 0.000 2.357 357 R HA 0.542 4.882 4.340 0.000 0.000 0.296 357 R C 0.493 176.614 176.300 -0.298 0.000 1.052 357 R CA -0.738 55.126 56.100 -0.394 0.000 0.988 357 R CB 0.507 30.510 30.300 -0.494 0.000 1.025 357 R HN 0.328 nan 8.270 nan 0.000 0.469 361 L N 0.678 121.848 121.223 -0.087 0.000 2.334 361 L HA 0.618 4.958 4.340 0.000 0.000 0.270 361 L C 0.312 177.126 176.870 -0.092 0.000 1.018 361 L CA -1.165 53.590 54.840 -0.141 0.000 0.811 361 L CB 0.994 42.883 42.059 -0.283 0.000 1.271 361 L HN 0.183 nan 8.230 nan 0.000 0.443 362 R N 0.647 121.103 120.500 -0.074 0.000 2.491 362 R HA 0.433 4.773 4.340 0.000 0.000 0.283 362 R C -0.692 175.585 176.300 -0.038 0.000 1.072 362 R CA 0.026 56.103 56.100 -0.039 0.000 1.048 362 R CB 0.529 30.816 30.300 -0.022 0.000 0.983 362 R HN 0.712 nan 8.270 nan 0.000 0.450 363 T N -1.175 113.367 114.554 -0.020 0.000 2.821 363 T HA 0.216 4.566 4.350 0.000 0.000 0.306 363 T C -0.468 174.232 174.700 -0.000 0.000 1.313 363 T CA -0.961 61.131 62.100 -0.014 0.000 1.012 363 T CB 1.871 70.727 68.868 -0.020 0.000 1.298 363 T HN 0.352 nan 8.240 nan 0.000 0.502 364 D N 0.022 120.425 120.400 0.004 0.000 2.441 364 D HA 0.381 5.021 4.640 0.000 0.000 0.210 364 D C 0.853 177.161 176.300 0.013 0.000 1.102 364 D CA -0.066 53.940 54.000 0.010 0.000 0.840 364 D CB 0.496 41.303 40.800 0.011 0.000 0.990 364 D HN 0.810 nan 8.370 nan 0.000 0.505 365 A N 0.601 123.428 122.820 0.011 0.000 2.371 365 A HA 0.516 4.836 4.320 0.000 0.000 0.257 365 A C -0.024 177.570 177.584 0.018 0.000 1.089 365 A CA -0.089 51.958 52.037 0.016 0.000 0.794 365 A CB 0.778 19.789 19.000 0.017 0.000 1.029 365 A HN -0.037 nan 8.150 nan 0.000 0.488 366 V N 1.638 121.568 119.914 0.027 0.000 2.686 366 V HA 0.308 4.428 4.120 0.000 0.000 0.306 366 V C 0.348 176.473 176.094 0.052 0.000 1.065 366 V CA -0.216 62.103 62.300 0.032 0.000 0.894 366 V CB 2.197 34.039 31.823 0.033 0.000 1.004 366 V HN 1.067 nan 8.190 nan 0.000 0.424 367 S N 1.056 116.792 115.700 0.061 0.000 3.900 367 S HA 0.018 4.488 4.470 0.000 0.000 0.248 367 S C 1.117 175.820 174.600 0.172 0.000 1.310 367 S CA 0.020 58.299 58.200 0.132 0.000 0.915 367 S CB -0.339 62.918 63.200 0.096 0.000 1.588 367 S HN 0.912 nan 8.310 nan 0.000 0.472 368 T N -0.201 114.422 114.554 0.115 0.000 3.113 368 T HA 0.078 4.428 4.350 0.000 0.000 0.263 368 T C 1.691 176.414 174.700 0.039 0.000 1.143 368 T CA 0.674 62.817 62.100 0.072 0.000 1.090 368 T CB -0.254 68.638 68.868 0.039 0.000 0.922 368 T HN 0.663 nan 8.240 nan 0.000 0.521 369 G N 0.380 109.213 108.800 0.054 0.000 2.813 369 G HA2 0.234 4.194 3.960 0.000 0.000 0.209 369 G HA3 0.234 4.194 3.960 0.000 0.000 0.209 369 G C 0.068 174.661 174.900 -0.511 0.000 1.150 369 G CA -0.268 44.711 45.100 -0.202 0.000 0.785 369 G HN 0.534 nan 8.290 nan 0.000 0.535 370 F N 0.856 120.799 119.950 -0.011 0.000 2.584 370 F HA 0.312 4.839 4.527 0.000 0.000 0.328 370 F C -1.273 174.520 175.800 -0.012 0.000 1.407 370 F CA -2.614 55.378 58.000 -0.015 0.000 1.145 370 F CB 1.670 40.656 39.000 -0.023 0.000 1.440 370 F HN -0.118 nan 8.300 nan 0.000 0.580 371 P HA -0.311 nan 4.420 nan 0.000 0.225 371 P C 1.675 179.017 177.300 0.070 0.000 1.154 371 P CA 1.965 65.101 63.100 0.059 0.000 0.933 371 P CB 0.461 32.175 31.700 0.023 0.000 0.790 372 L N -1.335 119.931 121.223 0.072 0.000 2.083 372 L HA -0.123 4.217 4.340 0.000 0.000 0.209 372 L C 2.875 179.774 176.870 0.049 0.000 1.083 372 L CA 1.220 56.094 54.840 0.056 0.000 0.752 372 L CB -0.952 41.130 42.059 0.038 0.000 0.899 372 L HN -0.125 nan 8.230 nan 0.000 0.433 373 V N 0.204 120.157 119.914 0.065 0.000 2.307 373 V HA -0.180 3.940 4.120 0.000 0.000 0.245 373 V C 2.663 178.780 176.094 0.038 0.000 1.045 373 V CA 1.972 64.290 62.300 0.029 0.000 1.024 373 V CB -1.257 30.569 31.823 0.006 0.000 0.651 373 V HN 0.550 nan 8.190 nan 0.000 0.449 374 G N -0.298 108.545 108.800 0.071 0.000 2.440 374 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 374 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 374 G C 1.779 176.708 174.900 0.047 0.000 1.154 374 G CA 1.160 46.296 45.100 0.060 0.000 0.767 374 G HN 0.605 nan 8.290 nan 0.000 0.552 375 A N 1.270 124.121 122.820 0.051 0.000 1.877 375 A HA 0.223 4.543 4.320 0.000 0.000 0.216 375 A C 2.858 180.470 177.584 0.048 0.000 1.186 375 A CA 2.462 54.529 52.037 0.050 0.000 0.620 375 A CB -0.947 18.087 19.000 0.056 0.000 0.822 375 A HN 0.865 nan 8.150 nan 0.000 0.443 376 A N -0.785 122.062 122.820 0.045 0.000 1.908 376 A HA -0.244 4.076 4.320 0.000 0.000 0.218 376 A C 2.096 179.703 177.584 0.038 0.000 1.181 376 A CA 1.784 53.848 52.037 0.044 0.000 0.627 376 A CB -0.643 18.376 19.000 0.032 0.000 0.818 376 A HN 0.662 nan 8.150 nan 0.000 0.445 377 Q N -0.827 118.990 119.800 0.029 0.000 2.226 377 Q HA -0.114 4.226 4.340 0.000 0.000 0.204 377 Q C 1.850 177.872 176.000 0.036 0.000 0.975 377 Q CA 1.297 57.117 55.803 0.028 0.000 0.866 377 Q CB -0.113 28.637 28.738 0.019 0.000 0.915 377 Q HN 0.609 nan 8.270 nan 0.000 0.440 378 R N -0.279 120.243 120.500 0.038 0.000 2.310 378 R HA 0.019 4.359 4.340 0.000 0.000 0.202 378 R C 1.345 177.669 176.300 0.041 0.000 0.933 378 R CA -0.216 55.906 56.100 0.038 0.000 1.054 378 R CB 0.162 30.484 30.300 0.036 0.000 0.985 378 R HN 0.120 nan 8.270 nan 0.000 0.489 379 L N 0.317 121.567 121.223 0.046 0.000 1.943 379 L HA -0.094 4.246 4.340 0.000 0.000 0.215 379 L C 1.715 178.612 176.870 0.045 0.000 1.074 379 L CA 2.479 57.348 54.840 0.048 0.000 0.759 379 L CB -1.257 40.836 42.059 0.056 0.000 0.888 379 L HN 0.444 nan 8.230 nan 0.000 0.433 380 G N -1.536 107.293 108.800 0.047 0.000 2.556 380 G HA2 -0.455 3.505 3.960 0.000 0.000 0.283 380 G HA3 -0.455 3.505 3.960 0.000 0.000 0.283 380 G C 1.096 176.022 174.900 0.044 0.000 1.177 380 G CA 1.303 46.431 45.100 0.046 0.000 0.978 380 G HN 0.538 nan 8.290 nan 0.000 0.554 381 S N 0.900 116.624 115.700 0.040 0.000 2.380 381 S HA -0.257 4.213 4.470 0.000 0.000 0.229 381 S C 2.026 176.648 174.600 0.036 0.000 1.050 381 S CA 2.598 60.821 58.200 0.037 0.000 1.100 381 S CB -0.564 62.655 63.200 0.032 0.000 0.984 381 S HN 1.244 nan 8.310 nan 0.000 0.434 382 E N 1.099 121.319 120.200 0.033 0.000 2.482 382 E HA 0.050 4.400 4.350 0.000 0.000 0.200 382 E C -0.202 176.421 176.600 0.038 0.000 1.147 382 E CA 0.122 56.541 56.400 0.031 0.000 0.912 382 E CB -0.619 29.095 29.700 0.023 0.000 0.938 382 E HN 0.338 nan 8.360 nan 0.000 0.519 383 V N 0.454 120.393 119.914 0.042 0.000 2.851 383 V HA 0.221 4.341 4.120 0.000 0.000 0.307 383 V C -0.659 175.455 176.094 0.034 0.000 1.129 383 V CA -0.826 61.501 62.300 0.045 0.000 0.932 383 V CB 2.382 34.238 31.823 0.055 0.000 1.024 383 V HN 0.128 nan 8.190 nan 0.000 0.426 384 S N 4.178 119.887 115.700 0.015 0.000 2.525 384 S HA 0.525 4.995 4.470 0.000 0.000 0.290 384 S C -0.687 173.858 174.600 -0.092 0.000 1.152 384 S CA -0.737 57.449 58.200 -0.022 0.000 1.072 384 S CB 1.351 64.539 63.200 -0.021 0.000 1.027 384 S HN 0.707 nan 8.310 nan 0.000 0.500 385 Q N 1.960 121.713 119.800 -0.080 0.000 2.256 385 Q HA 0.543 4.883 4.340 0.000 0.000 0.254 385 Q C -0.049 175.848 176.000 -0.172 0.000 0.916 385 Q CA -0.716 55.031 55.803 -0.092 0.000 0.932 385 Q CB 0.945 29.669 28.738 -0.023 0.000 1.207 385 Q HN 0.517 nan 8.270 nan 0.000 0.426 386 V N -0.442 119.358 119.914 -0.189 0.000 3.166 386 V HA 0.566 4.686 4.120 0.000 0.000 0.317 386 V C -0.274 175.746 176.094 -0.123 0.000 1.136 386 V CA -1.384 60.804 62.300 -0.187 0.000 1.035 386 V CB 1.317 33.006 31.823 -0.225 0.000 1.110 386 V HN 0.667 nan 8.190 nan 0.000 0.450 387 L N 1.710 122.877 121.223 -0.094 0.000 2.380 387 L HA 0.504 4.844 4.340 0.000 0.000 0.273 387 L C -0.303 176.471 176.870 -0.160 0.000 1.138 387 L CA -0.170 54.621 54.840 -0.081 0.000 0.832 387 L CB 0.951 42.984 42.059 -0.043 0.000 1.124 387 L HN 0.781 nan 8.230 nan 0.000 0.454 388 L N 8.485 129.638 121.223 -0.116 0.000 2.282 388 L HA 0.472 4.812 4.340 0.000 0.000 0.287 388 L C -1.883 174.939 176.870 -0.081 0.000 1.075 388 L CA -1.578 53.161 54.840 -0.168 0.000 0.839 388 L CB 0.690 42.689 42.059 -0.100 0.000 1.219 388 L HN 0.534 nan 8.230 nan 0.000 0.434 389 P HA -0.130 nan 4.420 nan 0.000 0.216 389 P C 0.746 178.066 177.300 0.032 0.000 1.150 389 P CA 1.086 64.122 63.100 -0.107 0.000 0.837 389 P CB 0.272 31.651 31.700 -0.535 0.000 0.786 390 D N -0.353 120.025 120.400 -0.037 0.000 2.968 390 D HA -0.246 4.394 4.640 0.000 0.000 0.215 390 D C 1.871 178.134 176.300 -0.061 0.000 1.086 390 D CA 2.317 56.299 54.000 -0.030 0.000 0.891 390 D CB -1.445 39.332 40.800 -0.039 0.000 1.019 390 D HN 0.162 nan 8.370 nan 0.000 0.494 391 V N -1.879 117.925 119.914 -0.185 0.000 2.568 391 V HA -0.251 3.869 4.120 0.000 0.000 0.253 391 V C 1.933 177.818 176.094 -0.348 0.000 1.072 391 V CA 1.586 63.686 62.300 -0.334 0.000 1.084 391 V CB -1.272 30.216 31.823 -0.558 0.000 0.676 391 V HN 0.304 nan 8.190 nan 0.000 0.469 392 Y N 0.234 120.535 120.300 0.001 0.000 2.517 392 Y HA 0.374 4.924 4.550 0.000 0.000 0.281 392 Y C 1.374 177.325 175.900 0.084 0.000 1.125 392 Y CA -0.036 58.088 58.100 0.041 0.000 1.283 392 Y CB 0.035 38.533 38.460 0.063 0.000 1.042 392 Y HN 0.088 nan 8.280 nan 0.000 0.547 393 V N 3.487 123.517 119.914 0.194 0.000 2.455 393 V HA 0.113 4.233 4.120 0.000 0.000 0.273 393 V C -2.080 174.041 176.094 0.044 0.000 1.045 393 V CA -2.121 60.278 62.300 0.165 0.000 0.976 393 V CB 0.482 32.387 31.823 0.136 0.000 0.993 393 V HN -0.027 nan 8.190 nan 0.000 0.475 394 P HA 0.076 nan 4.420 nan 0.000 0.265 394 P C -1.624 175.631 177.300 -0.076 0.000 1.193 394 P CA -0.972 62.111 63.100 -0.028 0.000 0.765 394 P CB 0.212 31.898 31.700 -0.023 0.000 0.823 395 P HA -0.259 nan 4.420 nan 0.000 0.217 395 P C 0.913 178.175 177.300 -0.062 0.000 1.148 395 P CA 1.738 64.811 63.100 -0.046 0.000 0.834 395 P CB -0.201 31.479 31.700 -0.034 0.000 0.783 396 A N -0.129 122.646 122.820 -0.074 0.000 2.119 396 A HA 0.175 4.495 4.320 0.000 0.000 0.217 396 A C 2.272 179.781 177.584 -0.125 0.000 1.153 396 A CA 1.416 53.408 52.037 -0.076 0.000 0.692 396 A CB -0.974 17.993 19.000 -0.054 0.000 0.799 396 A HN 0.276 nan 8.150 nan 0.000 0.458 397 A N -0.959 121.728 122.820 -0.222 0.000 2.267 397 A HA 0.557 4.877 4.320 0.000 0.000 0.213 397 A C 2.150 179.606 177.584 -0.213 0.000 1.192 397 A CA 1.063 52.888 52.037 -0.354 0.000 0.851 397 A CB -0.508 17.919 19.000 -0.955 0.000 0.881 397 A HN 0.748 nan 8.150 nan 0.000 0.494 398 A N 0.882 123.628 122.820 -0.123 0.000 1.859 398 A HA -0.249 4.071 4.320 0.000 0.000 0.217 398 A C 2.195 179.767 177.584 -0.021 0.000 1.198 398 A CA 1.944 53.952 52.037 -0.049 0.000 0.629 398 A CB -0.559 18.424 19.000 -0.028 0.000 0.830 398 A HN 0.587 nan 8.150 nan 0.000 0.446 399 Q N -0.699 119.087 119.800 -0.023 0.000 2.046 399 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 399 Q C -0.639 175.358 176.000 -0.005 0.000 0.975 399 Q CA 1.603 57.403 55.803 -0.005 0.000 0.836 399 Q CB -2.287 26.448 28.738 -0.006 0.000 0.896 399 Q HN 0.461 nan 8.270 nan 0.000 0.428 400 P HA -0.097 nan 4.420 nan 0.000 0.219 400 P C 1.532 178.832 177.300 0.000 0.000 1.146 400 P CA 0.681 63.775 63.100 -0.011 0.000 0.808 400 P CB -0.050 31.637 31.700 -0.021 0.000 0.779 401 L N -1.045 120.179 121.223 0.000 0.000 2.156 401 L HA -0.060 4.280 4.340 0.000 0.000 0.208 401 L C 2.066 178.954 176.870 0.031 0.000 1.095 401 L CA 1.501 56.364 54.840 0.038 0.000 0.770 401 L CB -1.025 41.080 42.059 0.076 0.000 0.914 401 L HN -0.072 nan 8.230 nan 0.000 0.439 402 I N -1.511 119.076 120.570 0.030 0.000 2.233 402 I HA -0.267 3.903 4.170 0.000 0.000 0.243 402 I C 2.126 178.254 176.117 0.019 0.000 1.093 402 I CA 1.381 62.701 61.300 0.033 0.000 1.380 402 I CB -0.519 37.509 38.000 0.047 0.000 1.067 402 I HN 0.207 nan 8.210 nan 0.000 0.413 403 T N 1.027 115.589 114.554 0.013 0.000 2.684 403 T HA -0.195 4.155 4.350 0.000 0.000 0.267 403 T C 1.989 176.692 174.700 0.005 0.000 1.036 403 T CA 1.566 63.672 62.100 0.009 0.000 1.148 403 T CB -0.370 68.502 68.868 0.007 0.000 0.863 403 T HN 0.472 nan 8.240 nan 0.000 0.436 404 A N 0.924 123.740 122.820 -0.006 0.000 2.070 404 A HA -0.079 4.241 4.320 0.000 0.000 0.220 404 A C 2.471 180.030 177.584 -0.041 0.000 1.159 404 A CA 1.697 53.717 52.037 -0.029 0.000 0.656 404 A CB -0.963 18.007 19.000 -0.049 0.000 0.800 404 A HN 0.467 nan 8.150 nan 0.000 0.453 405 T N -1.036 113.508 114.554 -0.016 0.000 2.896 405 T HA -0.078 4.273 4.350 0.000 0.000 0.263 405 T C 2.263 177.039 174.700 0.126 0.000 1.050 405 T CA 1.477 63.582 62.100 0.009 0.000 1.140 405 T CB -0.166 68.721 68.868 0.032 0.000 0.877 405 T HN 0.544 nan 8.240 nan 0.000 0.457 406 S N 0.552 116.304 115.700 0.085 0.000 2.368 406 S HA -0.141 4.329 4.470 0.000 0.000 0.225 406 S C 2.195 176.862 174.600 0.112 0.000 1.030 406 S CA 1.816 60.074 58.200 0.096 0.000 0.999 406 S CB -0.672 62.547 63.200 0.031 0.000 0.844 406 S HN 0.503 nan 8.310 nan 0.000 0.459 407 T N 1.397 115.987 114.554 0.061 0.000 2.746 407 T HA -0.039 4.312 4.350 0.000 0.000 0.267 407 T C 2.054 176.788 174.700 0.056 0.000 1.039 407 T CA 1.644 63.771 62.100 0.046 0.000 1.142 407 T CB -0.508 68.368 68.868 0.013 0.000 0.866 407 T HN 0.423 nan 8.240 nan 0.000 0.444 408 S N 0.719 116.432 115.700 0.022 0.000 2.419 408 S HA 0.038 4.508 4.470 0.000 0.000 0.233 408 S C 1.447 176.100 174.600 0.088 0.000 1.016 408 S CA 0.727 58.922 58.200 -0.009 0.000 0.974 408 S CB -0.406 62.666 63.200 -0.212 0.000 0.786 408 S HN 0.451 nan 8.310 nan 0.000 0.492 409 F N 1.871 121.882 119.950 0.102 0.000 2.802 409 F HA 0.081 4.608 4.527 0.000 0.000 0.300 409 F C 0.887 176.727 175.800 0.067 0.000 1.168 409 F CA 0.295 58.360 58.000 0.108 0.000 1.433 409 F CB -0.122 38.861 39.000 -0.028 0.000 1.115 409 F HN -0.044 nan 8.300 nan 0.000 0.582 410 T N 2.091 116.762 114.554 0.195 0.000 2.761 410 T HA 0.190 4.540 4.350 0.000 0.000 0.296 410 T C 0.367 175.127 174.700 0.100 0.000 0.934 410 T CA -0.587 61.590 62.100 0.130 0.000 1.091 410 T CB 0.316 69.237 68.868 0.089 0.000 0.896 410 T HN 0.048 nan 8.240 nan 0.000 0.515 411 R N 1.921 122.477 120.500 0.093 0.000 2.537 411 R HA 0.293 4.633 4.340 0.000 0.000 0.281 411 R C 1.574 177.904 176.300 0.049 0.000 0.988 411 R CA 1.155 57.294 56.100 0.064 0.000 1.077 411 R CB -0.024 30.312 30.300 0.061 0.000 0.932 411 R HN 1.049 nan 8.270 nan 0.000 0.409 412 G N 1.831 110.655 108.800 0.040 0.000 2.234 412 G HA2 -0.274 3.686 3.960 0.000 0.000 0.235 412 G HA3 -0.274 3.686 3.960 0.000 0.000 0.235 412 G C 0.230 175.152 174.900 0.036 0.000 0.997 412 G CA 0.036 45.158 45.100 0.036 0.000 0.623 412 G HN 0.581 nan 8.290 nan 0.000 0.514 413 T N 3.165 117.745 114.554 0.043 0.000 2.761 413 T HA 0.463 4.813 4.350 0.000 0.000 0.287 413 T C 1.067 175.792 174.700 0.040 0.000 0.931 413 T CA 0.688 62.811 62.100 0.039 0.000 1.164 413 T CB 0.780 69.675 68.868 0.045 0.000 0.876 413 T HN 1.298 nan 8.240 nan 0.000 0.534 414 S N 4.501 120.220 115.700 0.030 0.000 2.566 414 S HA 0.069 4.539 4.470 0.000 0.000 0.280 414 S C -1.610 173.009 174.600 0.032 0.000 1.343 414 S CA -1.087 57.131 58.200 0.030 0.000 1.036 414 S CB 0.537 63.749 63.200 0.020 0.000 0.866 414 S HN 0.294 nan 8.310 nan 0.000 0.526 415 P HA -0.121 nan 4.420 nan 0.000 0.216 415 P C 1.702 179.009 177.300 0.013 0.000 1.153 415 P CA 2.076 65.200 63.100 0.041 0.000 0.858 415 P CB -0.266 31.461 31.700 0.046 0.000 0.789 416 A N -0.121 122.704 122.820 0.008 0.000 1.908 416 A HA -0.244 4.076 4.320 0.000 0.000 0.218 416 A C 2.236 179.814 177.584 -0.011 0.000 1.181 416 A CA 1.722 53.758 52.037 -0.002 0.000 0.627 416 A CB -1.103 17.897 19.000 0.001 0.000 0.818 416 A HN 0.100 nan 8.150 nan 0.000 0.445 417 R N -0.855 119.641 120.500 -0.007 0.000 2.148 417 R HA -0.021 4.319 4.340 0.000 0.000 0.227 417 R C 1.961 178.239 176.300 -0.035 0.000 1.103 417 R CA 1.175 57.267 56.100 -0.014 0.000 0.983 417 R CB -0.391 29.908 30.300 -0.002 0.000 0.874 417 R HN 0.413 nan 8.270 nan 0.000 0.451 418 V N 0.948 120.839 119.914 -0.039 0.000 2.358 418 V HA -0.229 3.891 4.120 0.000 0.000 0.246 418 V C 2.480 178.482 176.094 -0.153 0.000 1.047 418 V CA 1.685 63.932 62.300 -0.088 0.000 1.035 418 V CB -0.534 31.252 31.823 -0.062 0.000 0.658 418 V HN 0.305 nan 8.190 nan 0.000 0.452 419 R N 0.379 120.812 120.500 -0.112 0.000 2.073 419 R HA -0.178 4.162 4.340 0.000 0.000 0.234 419 R C 2.336 178.568 176.300 -0.114 0.000 1.134 419 R CA 1.777 57.801 56.100 -0.126 0.000 0.952 419 R CB -0.511 29.766 30.300 -0.038 0.000 0.850 419 R HN 0.459 nan 8.270 nan 0.000 0.433 420 A N 0.947 123.728 122.820 -0.065 0.000 1.873 420 A HA -0.191 4.129 4.320 0.000 0.000 0.218 420 A C 2.425 179.979 177.584 -0.050 0.000 1.193 420 A CA 2.087 54.099 52.037 -0.041 0.000 0.629 420 A CB -1.050 17.936 19.000 -0.024 0.000 0.826 420 A HN 0.584 nan 8.150 nan 0.000 0.447 421 A N -0.965 121.814 122.820 -0.069 0.000 1.908 421 A HA -0.035 4.285 4.320 0.000 0.000 0.218 421 A C 2.052 179.584 177.584 -0.086 0.000 1.181 421 A CA 1.800 53.799 52.037 -0.063 0.000 0.627 421 A CB -0.579 18.381 19.000 -0.066 0.000 0.818 421 A HN 0.406 nan 8.150 nan 0.000 0.445 422 L N 0.247 121.345 121.223 -0.208 0.000 2.012 422 L HA -0.184 4.156 4.340 0.000 0.000 0.210 422 L C 2.402 179.222 176.870 -0.083 0.000 1.073 422 L CA 2.246 56.875 54.840 -0.350 0.000 0.748 422 L CB -1.204 40.237 42.059 -1.030 0.000 0.891 422 L HN 0.539 nan 8.230 nan 0.000 0.431 423 E N -1.266 118.909 120.200 -0.040 0.000 2.274 423 E HA -0.133 4.217 4.350 0.000 0.000 0.194 423 E C 2.077 178.758 176.600 0.134 0.000 0.996 423 E CA 1.099 57.553 56.400 0.091 0.000 0.840 423 E CB -0.133 29.598 29.700 0.051 0.000 0.772 423 E HN 0.555 nan 8.360 nan 0.000 0.491 424 S N 0.644 116.395 115.700 0.085 0.000 2.522 424 S HA 0.087 4.557 4.470 0.000 0.000 0.227 424 S C 2.077 176.745 174.600 0.114 0.000 0.986 424 S CA 0.490 58.739 58.200 0.081 0.000 0.929 424 S CB 0.162 63.384 63.200 0.036 0.000 0.769 424 S HN 0.245 nan 8.310 nan 0.000 0.529 425 A N 0.469 123.391 122.820 0.169 0.000 2.067 425 A HA 0.143 4.463 4.320 0.000 0.000 0.219 425 A C 1.408 179.046 177.584 0.089 0.000 1.158 425 A CA 0.709 52.821 52.037 0.126 0.000 0.661 425 A CB -0.817 18.267 19.000 0.140 0.000 0.801 425 A HN 0.720 nan 8.150 nan 0.000 0.452 426 Y N 0.018 120.343 120.300 0.042 0.000 2.532 426 Y HA 0.081 4.631 4.550 0.000 0.000 0.283 426 Y C 2.122 178.036 175.900 0.022 0.000 1.181 426 Y CA 0.100 58.222 58.100 0.037 0.000 1.256 426 Y CB 0.064 38.548 38.460 0.041 0.000 1.112 426 Y HN 0.466 nan 8.280 nan 0.000 0.521 427 R N -0.677 119.902 120.500 0.132 0.000 2.189 427 R HA -0.076 4.265 4.340 0.000 0.000 0.218 427 R C 1.474 177.805 176.300 0.051 0.000 1.074 427 R CA 1.464 57.613 56.100 0.082 0.000 0.991 427 R CB -0.560 29.775 30.300 0.058 0.000 0.883 427 R HN 0.222 nan 8.270 nan 0.000 0.457 428 S N 0.060 115.779 115.700 0.031 0.000 2.593 428 S HA 0.163 4.633 4.470 0.000 0.000 0.217 428 S C 0.859 175.466 174.600 0.013 0.000 0.966 428 S CA -0.456 57.752 58.200 0.014 0.000 0.914 428 S CB 0.105 63.304 63.200 -0.003 0.000 0.776 428 S HN 0.069 nan 8.310 nan 0.000 0.523 429 V N 1.458 121.387 119.914 0.026 0.000 3.262 429 V HA 0.673 4.793 4.120 0.000 0.000 0.313 429 V C 1.110 177.231 176.094 0.045 0.000 1.070 429 V CA -0.441 61.878 62.300 0.031 0.000 1.049 429 V CB 0.444 32.294 31.823 0.046 0.000 1.157 429 V HN 0.579 nan 8.190 nan 0.000 0.454 430 E N 0.000 120.225 120.200 0.042 0.000 2.725 430 E HA 0.000 4.350 4.350 0.000 0.000 0.291 430 E CA 0.000 56.422 56.400 0.037 0.000 0.976 430 E CB 0.000 29.719 29.700 0.032 0.000 0.812 430 E HN 0.000 nan 8.360 nan 0.000 0.440