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 2v7m_1_A DATA FIRST_RESID 5 DATA SEQUENCE LDRVGVFAAT HAAVAASDPL QARALVLQLP GLNRNKDVPG IVGLLREFLP DATA SEQUENCE VRGLPSGWGF VEAAAAMRDI GFFLGSLKRH GHEPAEVVPG LEPVLLDLAR DATA SEQUENCE ATNLPPRETL LHVTVWNPTA ADAQRSYTGL PDEAHLLESV RISMAALEAA DATA SEQUENCE IALTVELFDV SLRSPEFAQR SDELEAYLQK MVESIVYAYR FISPQVFYDE DATA SEQUENCE LRPFYEPIRV GGQSYLGPGA VEMPLFVLEH VLWGSQSDDQ TYREFKETYL DATA SEQUENCE PYVLPAYRAV YARFSGEPAL IDRALDEARA VGTRDEHVRA GLTALERVFK DATA SEQUENCE VLLRFRAPHL KLAERAYEVX XXXXXXXXXX XAPSMLGELL TLTYAARSRV DATA SEQUENCE RAALD 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.912 176.870 0.070 0.000 1.165 5 L CA 0.000 54.698 54.840 -0.236 0.000 0.813 5 L CB 0.000 41.772 42.059 -0.478 0.000 0.961 6 D N -0.230 120.250 120.400 0.134 0.000 2.263 6 D HA -0.186 4.441 4.640 -0.022 0.000 0.208 6 D C 1.555 177.953 176.300 0.164 0.000 0.971 6 D CA 1.117 55.190 54.000 0.122 0.000 0.867 6 D CB 0.244 41.094 40.800 0.083 0.000 0.929 6 D HN 0.403 nan 8.370 nan 0.000 0.492 7 R N 0.097 120.767 120.500 0.283 0.000 2.235 7 R HA 0.098 4.425 4.340 -0.022 0.000 0.213 7 R C 2.088 178.575 176.300 0.312 0.000 1.059 7 R CA 0.201 56.440 56.100 0.231 0.000 0.997 7 R CB -0.055 30.317 30.300 0.121 0.000 0.884 7 R HN 0.111 nan 8.270 nan 0.000 0.462 8 V N 0.440 120.561 119.914 0.345 0.000 2.407 8 V HA -0.188 3.919 4.120 -0.022 0.000 0.248 8 V C 2.390 178.607 176.094 0.205 0.000 1.055 8 V CA 2.135 64.619 62.300 0.307 0.000 1.049 8 V CB -0.835 31.113 31.823 0.209 0.000 0.662 8 V HN 0.536 nan 8.190 nan 0.000 0.455 9 G N -0.430 108.437 108.800 0.112 0.000 2.529 9 G HA2 -0.303 3.644 3.960 -0.022 0.000 0.219 9 G HA3 -0.303 3.644 3.960 -0.022 0.000 0.219 9 G C 1.815 176.699 174.900 -0.026 0.000 1.177 9 G CA 1.388 46.511 45.100 0.037 0.000 0.773 9 G HN 0.407 nan 8.290 nan 0.000 0.573 10 V N -0.065 119.785 119.914 -0.106 0.000 2.343 10 V HA -0.076 4.031 4.120 -0.022 0.000 0.247 10 V C 2.605 178.502 176.094 -0.328 0.000 1.051 10 V CA 2.057 64.203 62.300 -0.258 0.000 1.036 10 V CB -0.476 31.114 31.823 -0.388 0.000 0.654 10 V HN 0.325 nan 8.190 nan 0.000 0.451 11 F N 1.119 120.995 119.950 -0.123 0.000 2.102 11 F HA -0.036 4.479 4.527 -0.021 0.000 0.298 11 F C 2.556 178.038 175.800 -0.529 0.000 1.105 11 F CA 1.660 59.503 58.000 -0.261 0.000 1.239 11 F CB -1.324 37.581 39.000 -0.159 0.000 0.991 11 F HN 0.227 nan 8.300 nan 0.000 0.474 12 A N 0.112 122.871 122.820 -0.102 0.000 1.940 12 A HA -0.099 4.208 4.320 -0.022 0.000 0.219 12 A C 2.412 179.978 177.584 -0.030 0.000 1.176 12 A CA 1.856 53.863 52.037 -0.051 0.000 0.631 12 A CB -1.311 17.729 19.000 0.067 0.000 0.814 12 A HN 0.322 nan 8.150 nan 0.000 0.446 13 A N -0.257 122.532 122.820 -0.052 0.000 1.930 13 A HA -0.093 4.214 4.320 -0.022 0.000 0.217 13 A C 2.452 180.022 177.584 -0.024 0.000 1.175 13 A CA 2.493 54.511 52.037 -0.031 0.000 0.627 13 A CB -1.405 17.562 19.000 -0.054 0.000 0.815 13 A HN 0.797 nan 8.150 nan 0.000 0.443 14 T N -2.295 112.217 114.554 -0.069 0.000 2.788 14 T HA -0.215 4.122 4.350 -0.022 0.000 0.268 14 T C 1.650 176.445 174.700 0.158 0.000 1.044 14 T CA 1.753 63.850 62.100 -0.006 0.000 1.139 14 T CB -0.849 68.005 68.868 -0.023 0.000 0.867 14 T HN 0.720 nan 8.240 nan 0.000 0.454 15 H N 1.452 120.661 119.070 0.232 0.000 2.353 15 H HA 0.222 4.764 4.556 -0.022 0.000 0.300 15 H C 2.839 178.304 175.328 0.227 0.000 1.090 15 H CA 0.723 56.988 56.048 0.362 0.000 1.327 15 H CB -0.271 29.679 29.762 0.313 0.000 1.383 15 H HN 0.532 nan 8.280 nan 0.000 0.508 16 A N 1.344 124.313 122.820 0.248 0.000 1.978 16 A HA -0.154 4.153 4.320 -0.022 0.000 0.220 16 A C 2.556 180.182 177.584 0.069 0.000 1.170 16 A CA 1.294 53.413 52.037 0.137 0.000 0.636 16 A CB -0.879 18.172 19.000 0.084 0.000 0.810 16 A HN 0.489 nan 8.150 nan 0.000 0.448 17 A N -0.496 122.348 122.820 0.041 0.000 1.908 17 A HA -0.049 4.258 4.320 -0.022 0.000 0.218 17 A C 2.210 179.754 177.584 -0.067 0.000 1.181 17 A CA 2.003 54.028 52.037 -0.019 0.000 0.627 17 A CB -0.838 18.142 19.000 -0.033 0.000 0.818 17 A HN 0.445 nan 8.150 nan 0.000 0.445 18 V N -0.460 119.393 119.914 -0.102 0.000 2.407 18 V HA -0.126 3.981 4.120 -0.022 0.000 0.245 18 V C 2.998 179.051 176.094 -0.070 0.000 1.041 18 V CA 1.565 63.731 62.300 -0.223 0.000 1.040 18 V CB -1.264 30.172 31.823 -0.646 0.000 0.671 18 V HN 0.591 nan 8.190 nan 0.000 0.455 19 A N 0.347 123.198 122.820 0.052 0.000 1.978 19 A HA -0.121 4.186 4.320 -0.022 0.000 0.220 19 A C 2.282 179.876 177.584 0.017 0.000 1.170 19 A CA 2.075 54.158 52.037 0.076 0.000 0.636 19 A CB -0.616 18.456 19.000 0.120 0.000 0.810 19 A HN 0.593 nan 8.150 nan 0.000 0.448 20 A N -1.072 121.744 122.820 -0.005 0.000 2.169 20 A HA 0.296 4.603 4.320 -0.022 0.000 0.212 20 A C 1.416 178.968 177.584 -0.053 0.000 1.153 20 A CA 0.846 52.869 52.037 -0.024 0.000 0.756 20 A CB -0.374 18.614 19.000 -0.020 0.000 0.813 20 A HN 0.430 nan 8.150 nan 0.000 0.471 21 S N 0.379 116.029 115.700 -0.082 0.000 2.513 21 S HA 0.387 4.844 4.470 -0.022 0.000 0.276 21 S C -0.872 173.654 174.600 -0.124 0.000 1.254 21 S CA -0.458 57.667 58.200 -0.126 0.000 1.053 21 S CB 0.724 63.807 63.200 -0.194 0.000 0.958 21 S HN 0.273 nan 8.310 nan 0.000 0.491 22 D N 4.687 125.015 120.400 -0.120 0.000 2.656 22 D HA 0.352 4.979 4.640 -0.022 0.000 0.303 22 D C -1.596 174.643 176.300 -0.100 0.000 1.199 22 D CA -1.658 52.276 54.000 -0.109 0.000 0.797 22 D CB 1.106 41.856 40.800 -0.083 0.000 1.170 22 D HN 0.335 nan 8.370 nan 0.000 0.509 23 P HA -0.016 nan 4.420 nan 0.000 0.223 23 P C 1.223 178.599 177.300 0.126 0.000 1.151 23 P CA 0.356 63.391 63.100 -0.108 0.000 0.787 23 P CB 0.584 31.940 31.700 -0.574 0.000 0.788 24 L N -1.025 120.256 121.223 0.096 0.000 2.628 24 L HA 0.183 4.510 4.340 -0.022 0.000 0.229 24 L C 0.517 177.422 176.870 0.058 0.000 1.137 24 L CA 0.010 54.957 54.840 0.177 0.000 0.909 24 L CB -0.803 41.423 42.059 0.277 0.000 1.137 24 L HN -0.079 nan 8.230 nan 0.000 0.470 25 Q N -0.212 119.586 119.800 -0.004 0.000 2.451 25 Q HA -0.266 4.061 4.340 -0.022 0.000 0.305 25 Q C 0.963 176.898 176.000 -0.108 0.000 1.345 25 Q CA 0.444 56.225 55.803 -0.037 0.000 0.854 25 Q CB -1.085 27.657 28.738 0.007 0.000 1.162 25 Q HN 0.607 nan 8.270 nan 0.000 0.440 26 A N -0.221 122.464 122.820 -0.225 0.000 2.303 26 A HA 0.073 4.380 4.320 -0.022 0.000 0.217 26 A C 1.658 179.045 177.584 -0.329 0.000 1.205 26 A CA 0.513 52.270 52.037 -0.468 0.000 0.875 26 A CB 0.038 18.417 19.000 -1.035 0.000 0.910 26 A HN 0.445 nan 8.150 nan 0.000 0.501 27 R N 0.484 120.867 120.500 -0.195 0.000 2.115 27 R HA -0.231 4.096 4.340 -0.022 0.000 0.239 27 R C 2.082 178.311 176.300 -0.119 0.000 1.133 27 R CA 2.094 58.108 56.100 -0.143 0.000 0.935 27 R CB -0.428 29.812 30.300 -0.100 0.000 0.853 27 R HN 0.391 nan 8.270 nan 0.000 0.433 28 A N 0.689 123.456 122.820 -0.089 0.000 2.015 28 A HA -0.067 4.240 4.320 -0.022 0.000 0.219 28 A C 2.226 179.789 177.584 -0.035 0.000 1.163 28 A CA 1.127 53.131 52.037 -0.055 0.000 0.646 28 A CB -0.334 18.645 19.000 -0.034 0.000 0.806 28 A HN 0.385 nan 8.150 nan 0.000 0.448 29 L N -0.756 120.440 121.223 -0.044 0.000 2.044 29 L HA -0.106 4.221 4.340 -0.022 0.000 0.205 29 L C 2.444 179.371 176.870 0.096 0.000 1.075 29 L CA 0.948 55.812 54.840 0.040 0.000 0.747 29 L CB -0.566 41.530 42.059 0.062 0.000 0.903 29 L HN 0.223 nan 8.230 nan 0.000 0.435 30 V N 0.210 120.126 119.914 0.004 0.000 2.490 30 V HA -0.249 3.858 4.120 -0.022 0.000 0.250 30 V C 2.378 178.413 176.094 -0.098 0.000 1.061 30 V CA 1.257 63.578 62.300 0.034 0.000 1.064 30 V CB -0.493 31.300 31.823 -0.049 0.000 0.670 30 V HN 0.374 nan 8.190 nan 0.000 0.461 31 L N -0.182 120.980 121.223 -0.102 0.000 2.349 31 L HA -0.216 4.111 4.340 -0.022 0.000 0.220 31 L C 2.451 179.276 176.870 -0.074 0.000 1.130 31 L CA 1.396 56.168 54.840 -0.113 0.000 0.791 31 L CB -0.568 41.437 42.059 -0.091 0.000 0.918 31 L HN 0.464 nan 8.230 nan 0.000 0.444 32 Q N -0.686 119.101 119.800 -0.022 0.000 2.432 32 Q HA -0.104 4.223 4.340 -0.022 0.000 0.205 32 Q C 2.056 178.056 176.000 0.000 0.000 0.945 32 Q CA 0.249 56.057 55.803 0.008 0.000 0.924 32 Q CB 0.114 28.885 28.738 0.055 0.000 1.016 32 Q HN 0.334 nan 8.270 nan 0.000 0.503 33 L N 1.725 122.915 121.223 -0.056 0.000 2.012 33 L HA -0.086 4.241 4.340 -0.022 0.000 0.210 33 L C -0.981 175.842 176.870 -0.079 0.000 1.073 33 L CA 1.953 56.719 54.840 -0.123 0.000 0.748 33 L CB -1.024 40.797 42.059 -0.397 0.000 0.891 33 L HN 0.012 nan 8.230 nan 0.000 0.431 34 P HA -0.152 nan 4.420 nan 0.000 0.215 34 P C 1.646 178.943 177.300 -0.006 0.000 1.157 34 P CA 1.985 65.044 63.100 -0.069 0.000 0.874 34 P CB -0.455 31.187 31.700 -0.096 0.000 0.790 35 G N -0.331 108.466 108.800 -0.005 0.000 2.440 35 G HA2 -0.240 3.707 3.960 -0.022 0.000 0.218 35 G HA3 -0.240 3.707 3.960 -0.022 0.000 0.218 35 G C 1.485 176.407 174.900 0.036 0.000 1.154 35 G CA 0.661 45.770 45.100 0.016 0.000 0.767 35 G HN 0.230 nan 8.290 nan 0.000 0.552 36 L N 0.317 121.567 121.223 0.044 0.000 2.093 36 L HA -0.054 4.273 4.340 -0.022 0.000 0.208 36 L C 2.718 179.638 176.870 0.082 0.000 1.085 36 L CA 0.717 55.591 54.840 0.057 0.000 0.755 36 L CB -0.445 41.659 42.059 0.075 0.000 0.904 36 L HN 0.132 nan 8.230 nan 0.000 0.435 37 N N 0.373 119.164 118.700 0.152 0.000 2.120 37 N HA -0.196 4.531 4.740 -0.022 0.000 0.188 37 N C 1.927 177.591 175.510 0.257 0.000 1.024 37 N CA 1.146 54.389 53.050 0.320 0.000 0.852 37 N CB -0.225 38.495 38.487 0.388 0.000 1.003 37 N HN 0.266 nan 8.380 nan 0.000 0.424 38 R N 0.949 121.538 120.500 0.149 0.000 2.091 38 R HA 0.009 4.336 4.340 -0.022 0.000 0.238 38 R C 1.008 177.354 176.300 0.077 0.000 1.136 38 R CA 1.267 57.431 56.100 0.106 0.000 0.959 38 R CB 0.014 30.352 30.300 0.063 0.000 0.856 38 R HN 0.180 nan 8.270 nan 0.000 0.437 39 N N 0.969 119.700 118.700 0.052 0.000 2.515 39 N HA -0.049 4.678 4.740 -0.022 0.000 0.185 39 N C -0.331 175.172 175.510 -0.011 0.000 1.109 39 N CA 0.599 53.662 53.050 0.021 0.000 0.903 39 N CB 0.238 38.733 38.487 0.012 0.000 0.969 39 N HN 0.179 nan 8.380 nan 0.000 0.450 40 K N 0.659 121.042 120.400 -0.028 0.000 3.077 40 K HA -0.183 4.124 4.320 -0.022 0.000 0.264 40 K C -0.744 175.701 176.600 -0.260 0.000 1.008 40 K CA 0.468 56.626 56.287 -0.215 0.000 0.740 40 K CB -1.186 31.274 32.500 -0.067 0.000 1.273 40 K HN 0.167 nan 8.250 nan 0.000 0.477 41 D N 0.773 121.067 120.400 -0.178 0.000 2.494 41 D HA 0.173 4.800 4.640 -0.022 0.000 0.217 41 D C 0.993 177.234 176.300 -0.098 0.000 1.153 41 D CA -0.318 53.623 54.000 -0.097 0.000 0.954 41 D CB 0.761 41.543 40.800 -0.030 0.000 1.034 41 D HN -0.037 nan 8.370 nan 0.000 0.518 42 V N 4.837 124.676 119.914 -0.124 0.000 2.307 42 V HA -0.111 3.996 4.120 -0.022 0.000 0.245 42 V C -0.669 175.403 176.094 -0.037 0.000 1.045 42 V CA 1.356 63.609 62.300 -0.078 0.000 1.024 42 V CB -1.150 30.623 31.823 -0.083 0.000 0.651 42 V HN 0.467 nan 8.190 nan 0.000 0.449 43 P HA -0.126 nan 4.420 nan 0.000 0.216 43 P C 1.722 179.024 177.300 0.004 0.000 1.150 43 P CA 1.864 64.947 63.100 -0.029 0.000 0.837 43 P CB -0.329 31.354 31.700 -0.030 0.000 0.786 44 G N -0.311 108.499 108.800 0.015 0.000 2.418 44 G HA2 -0.238 3.709 3.960 -0.022 0.000 0.217 44 G HA3 -0.238 3.709 3.960 -0.022 0.000 0.217 44 G C 1.522 176.483 174.900 0.102 0.000 1.158 44 G CA 0.594 45.722 45.100 0.046 0.000 0.771 44 G HN 0.231 nan 8.290 nan 0.000 0.545 45 I N 0.332 120.977 120.570 0.126 0.000 2.179 45 I HA -0.179 3.978 4.170 -0.022 0.000 0.242 45 I C 2.805 179.074 176.117 0.253 0.000 1.088 45 I CA 0.621 62.076 61.300 0.259 0.000 1.357 45 I CB -0.327 37.826 38.000 0.256 0.000 1.051 45 I HN 0.031 nan 8.210 nan 0.000 0.409 46 V N 1.052 121.037 119.914 0.119 0.000 2.287 46 V HA -0.252 3.855 4.120 -0.022 0.000 0.248 46 V C 2.605 178.684 176.094 -0.025 0.000 1.053 46 V CA 2.266 64.583 62.300 0.029 0.000 1.027 46 V CB -1.542 30.277 31.823 -0.007 0.000 0.646 46 V HN 0.599 nan 8.190 nan 0.000 0.447 47 G N -0.266 108.537 108.800 0.006 0.000 2.440 47 G HA2 -0.273 3.674 3.960 -0.022 0.000 0.218 47 G HA3 -0.273 3.674 3.960 -0.022 0.000 0.218 47 G C 1.586 176.482 174.900 -0.006 0.000 1.154 47 G CA 1.234 46.330 45.100 -0.006 0.000 0.767 47 G HN 0.439 nan 8.290 nan 0.000 0.552 48 L N 0.078 121.339 121.223 0.064 0.000 2.056 48 L HA 0.092 4.419 4.340 -0.022 0.000 0.207 48 L C 2.537 179.350 176.870 -0.095 0.000 1.078 48 L CA 1.498 56.412 54.840 0.124 0.000 0.749 48 L CB -0.587 41.681 42.059 0.348 0.000 0.901 48 L HN 0.199 nan 8.230 nan 0.000 0.433 49 L N -0.110 120.847 121.223 -0.445 0.000 2.012 49 L HA -0.205 4.122 4.340 -0.022 0.000 0.210 49 L C 2.620 179.014 176.870 -0.793 0.000 1.073 49 L CA 1.771 55.967 54.840 -1.074 0.000 0.748 49 L CB -0.673 40.804 42.059 -0.969 0.000 0.891 49 L HN 0.256 nan 8.230 nan 0.000 0.431 50 R N -0.378 119.884 120.500 -0.396 0.000 2.241 50 R HA -0.131 4.196 4.340 -0.022 0.000 0.224 50 R C 1.980 178.165 176.300 -0.192 0.000 1.101 50 R CA 1.157 57.096 56.100 -0.268 0.000 0.995 50 R CB -0.334 29.876 30.300 -0.151 0.000 0.870 50 R HN 0.588 nan 8.270 nan 0.000 0.463 51 E N 0.021 120.143 120.200 -0.131 0.000 2.204 51 E HA -0.178 4.159 4.350 -0.022 0.000 0.195 51 E C 1.031 177.684 176.600 0.088 0.000 0.990 51 E CA 1.288 57.695 56.400 0.012 0.000 0.821 51 E CB 0.081 29.846 29.700 0.108 0.000 0.750 51 E HN 0.492 nan 8.360 nan 0.000 0.477 52 F N -1.611 118.296 119.950 -0.072 0.000 2.856 52 F HA 0.289 4.803 4.527 -0.022 0.000 0.338 52 F C 0.170 175.947 175.800 -0.038 0.000 1.100 52 F CA -0.848 57.128 58.000 -0.040 0.000 1.150 52 F CB 0.054 39.041 39.000 -0.021 0.000 1.101 52 F HN -0.233 nan 8.300 nan 0.000 0.548 53 L N 5.724 126.658 121.223 -0.481 0.000 2.477 53 L HA 0.372 4.699 4.340 -0.022 0.000 0.272 53 L C -2.206 174.590 176.870 -0.123 0.000 1.157 53 L CA -1.961 52.676 54.840 -0.339 0.000 0.889 53 L CB 0.141 41.957 42.059 -0.404 0.000 1.158 53 L HN -0.039 nan 8.230 nan 0.000 0.473 54 P HA 0.042 nan 4.420 nan 0.000 0.230 54 P C 0.907 178.164 177.300 -0.072 0.000 1.791 54 P CA -0.087 62.986 63.100 -0.046 0.000 1.020 54 P CB 0.382 32.057 31.700 -0.042 0.000 1.977 55 V N 2.074 121.942 119.914 -0.077 0.000 2.720 55 V HA -0.194 3.913 4.120 -0.022 0.000 0.256 55 V C 2.370 178.424 176.094 -0.066 0.000 1.082 55 V CA 1.674 63.931 62.300 -0.071 0.000 1.101 55 V CB -0.933 30.847 31.823 -0.072 0.000 0.693 55 V HN 0.366 nan 8.190 nan 0.000 0.479 56 R N -0.252 120.206 120.500 -0.071 0.000 2.275 56 R HA 0.349 4.676 4.340 -0.022 0.000 0.199 56 R C 0.906 177.154 176.300 -0.087 0.000 0.989 56 R CA 0.658 56.715 56.100 -0.071 0.000 1.016 56 R CB 0.257 30.516 30.300 -0.068 0.000 0.918 56 R HN 0.570 nan 8.270 nan 0.000 0.473 57 G N 0.055 108.791 108.800 -0.106 0.000 2.392 57 G HA2 -0.083 3.864 3.960 -0.022 0.000 0.677 57 G HA3 -0.083 3.864 3.960 -0.022 0.000 0.677 57 G C -1.185 173.582 174.900 -0.222 0.000 1.334 57 G CA -1.151 43.870 45.100 -0.133 0.000 0.961 57 G HN -0.009 nan 8.290 nan 0.000 0.616 58 L N 1.080 122.139 121.223 -0.273 0.000 2.326 58 L HA 0.399 4.726 4.340 -0.022 0.000 0.278 58 L C -1.620 174.889 176.870 -0.601 0.000 1.092 58 L CA -1.635 52.887 54.840 -0.531 0.000 0.810 58 L CB 0.849 42.675 42.059 -0.388 0.000 1.153 58 L HN 0.332 nan 8.230 nan 0.000 0.439 59 P HA -0.013 nan 4.420 nan 0.000 0.262 59 P C 0.606 177.618 177.300 -0.480 0.000 1.182 59 P CA 0.014 62.692 63.100 -0.703 0.000 0.761 59 P CB 0.672 31.822 31.700 -0.917 0.000 0.795 60 S N 1.704 117.268 115.700 -0.227 0.000 2.447 60 S HA -0.088 4.369 4.470 -0.022 0.000 0.233 60 S C 1.965 176.555 174.600 -0.017 0.000 1.006 60 S CA 0.928 59.066 58.200 -0.103 0.000 0.957 60 S CB -0.962 62.197 63.200 -0.069 0.000 0.773 60 S HN 0.572 nan 8.310 nan 0.000 0.507 61 G N -0.025 108.783 108.800 0.014 0.000 2.744 61 G HA2 0.071 4.018 3.960 -0.022 0.000 0.211 61 G HA3 0.071 4.018 3.960 -0.022 0.000 0.211 61 G C -0.084 174.961 174.900 0.241 0.000 1.143 61 G CA -0.527 44.639 45.100 0.110 0.000 0.788 61 G HN 0.381 nan 8.290 nan 0.000 0.534 62 W N 0.868 122.161 121.300 -0.011 0.000 2.181 62 W HA 0.544 5.191 4.660 -0.022 0.000 0.335 62 W C 0.821 177.334 176.519 -0.009 0.000 1.310 62 W CA -0.705 56.630 57.345 -0.016 0.000 1.226 62 W CB 0.643 30.088 29.460 -0.024 0.000 1.155 62 W HN 0.079 nan 8.180 nan 0.000 0.565 63 G N 1.491 110.385 108.800 0.157 0.000 2.971 63 G HA2 0.288 4.235 3.960 -0.022 0.000 0.235 63 G HA3 0.288 4.235 3.960 -0.022 0.000 0.235 63 G C 0.060 175.003 174.900 0.071 0.000 1.351 63 G CA -0.652 44.513 45.100 0.108 0.000 1.039 63 G HN 0.429 nan 8.290 nan 0.000 0.563 64 F N -0.242 119.675 119.950 -0.056 0.000 2.120 64 F HA -0.161 4.352 4.527 -0.022 0.000 0.300 64 F C 2.581 178.255 175.800 -0.211 0.000 1.095 64 F CA 2.039 59.976 58.000 -0.105 0.000 1.249 64 F CB -0.073 38.861 39.000 -0.111 0.000 0.995 64 F HN 0.033 nan 8.300 nan 0.000 0.480 65 V N 0.398 120.272 119.914 -0.066 0.000 2.261 65 V HA -0.305 3.802 4.120 -0.022 0.000 0.246 65 V C 2.242 178.082 176.094 -0.423 0.000 1.047 65 V CA 2.355 64.511 62.300 -0.239 0.000 1.015 65 V CB -0.723 31.017 31.823 -0.139 0.000 0.642 65 V HN 0.266 nan 8.190 nan 0.000 0.446 66 E N 0.591 120.518 120.200 -0.455 0.000 2.051 66 E HA -0.137 4.200 4.350 -0.022 0.000 0.192 66 E C 2.246 178.339 176.600 -0.844 0.000 0.991 66 E CA 1.512 57.429 56.400 -0.806 0.000 0.799 66 E CB -0.682 28.250 29.700 -1.280 0.000 0.748 66 E HN 0.567 nan 8.360 nan 0.000 0.449 67 A N 0.948 123.468 122.820 -0.500 0.000 1.902 67 A HA -0.095 4.212 4.320 -0.022 0.000 0.217 67 A C 2.357 179.763 177.584 -0.296 0.000 1.181 67 A CA 1.895 53.789 52.037 -0.239 0.000 0.623 67 A CB -0.846 18.129 19.000 -0.041 0.000 0.818 67 A HN 0.285 nan 8.150 nan 0.000 0.443 68 A N -0.186 122.312 122.820 -0.536 0.000 1.898 68 A HA 0.195 4.502 4.320 -0.022 0.000 0.216 68 A C 2.494 179.983 177.584 -0.160 0.000 1.181 68 A CA 1.972 53.734 52.037 -0.458 0.000 0.620 68 A CB -0.972 17.332 19.000 -1.161 0.000 0.819 68 A HN 1.038 nan 8.150 nan 0.000 0.442 69 A N -0.134 122.513 122.820 -0.288 0.000 1.933 69 A HA 0.176 4.483 4.320 -0.022 0.000 0.218 69 A C 2.481 180.022 177.584 -0.072 0.000 1.175 69 A CA 2.005 53.950 52.037 -0.154 0.000 0.628 69 A CB -0.939 17.914 19.000 -0.245 0.000 0.814 69 A HN 1.008 nan 8.150 nan 0.000 0.444 70 A N -0.907 121.818 122.820 -0.159 0.000 1.902 70 A HA -0.111 4.196 4.320 -0.022 0.000 0.217 70 A C 2.174 179.827 177.584 0.115 0.000 1.181 70 A CA 2.219 54.257 52.037 0.002 0.000 0.623 70 A CB -0.502 18.521 19.000 0.039 0.000 0.818 70 A HN 0.559 nan 8.150 nan 0.000 0.443 71 M N 0.011 119.657 119.600 0.076 0.000 2.159 71 M HA -0.138 4.329 4.480 -0.022 0.000 0.263 71 M C 2.091 178.421 176.300 0.051 0.000 1.063 71 M CA 2.027 57.349 55.300 0.036 0.000 1.110 71 M CB -0.510 32.061 32.600 -0.048 0.000 1.374 71 M HN 0.488 nan 8.290 nan 0.000 0.411 72 R N -0.179 120.450 120.500 0.214 0.000 2.080 72 R HA -0.200 4.127 4.340 -0.022 0.000 0.236 72 R C 1.450 177.950 176.300 0.333 0.000 1.137 72 R CA 2.332 58.604 56.100 0.286 0.000 0.943 72 R CB -0.652 29.872 30.300 0.373 0.000 0.846 72 R HN 0.387 nan 8.270 nan 0.000 0.431 73 D N 0.264 120.846 120.400 0.304 0.000 2.123 73 D HA -0.084 4.543 4.640 -0.022 0.000 0.200 73 D C 2.027 178.704 176.300 0.629 0.000 0.976 73 D CA 1.160 55.382 54.000 0.371 0.000 0.831 73 D CB -0.145 40.735 40.800 0.133 0.000 0.974 73 D HN 0.345 nan 8.370 nan 0.000 0.469 74 I N 1.078 121.960 120.570 0.520 0.000 2.315 74 I HA -0.139 4.018 4.170 -0.022 0.000 0.248 74 I C 2.551 178.919 176.117 0.417 0.000 1.117 74 I CA 1.167 62.720 61.300 0.421 0.000 1.404 74 I CB -0.495 37.618 38.000 0.189 0.000 1.071 74 I HN 0.001 nan 8.210 nan 0.000 0.419 75 G N 0.953 109.906 108.800 0.255 0.000 2.469 75 G HA2 -0.281 3.666 3.960 -0.022 0.000 0.219 75 G HA3 -0.281 3.666 3.960 -0.022 0.000 0.219 75 G C 1.513 176.470 174.900 0.096 0.000 1.150 75 G CA 0.749 45.905 45.100 0.092 0.000 0.763 75 G HN 0.266 nan 8.290 nan 0.000 0.561 76 F N 0.029 120.036 119.950 0.095 0.000 2.269 76 F HA 0.080 4.595 4.527 -0.021 0.000 0.301 76 F C 2.253 178.063 175.800 0.016 0.000 1.082 76 F CA 0.758 58.652 58.000 -0.177 0.000 1.360 76 F CB -0.321 38.402 39.000 -0.463 0.000 1.041 76 F HN 0.101 nan 8.300 nan 0.000 0.512 77 F N -0.452 119.687 119.950 0.314 0.000 2.325 77 F HA -0.119 4.395 4.527 -0.022 0.000 0.299 77 F C 2.054 178.003 175.800 0.250 0.000 1.090 77 F CA 0.722 58.885 58.000 0.272 0.000 1.392 77 F CB -0.676 38.441 39.000 0.195 0.000 1.053 77 F HN -0.120 nan 8.300 nan 0.000 0.521 78 L N -0.527 120.924 121.223 0.381 0.000 2.005 78 L HA -0.104 4.223 4.340 -0.022 0.000 0.207 78 L C 2.846 179.872 176.870 0.259 0.000 1.072 78 L CA 1.489 56.489 54.840 0.267 0.000 0.744 78 L CB -1.611 40.562 42.059 0.190 0.000 0.895 78 L HN 0.217 nan 8.230 nan 0.000 0.433 79 G N -0.563 108.438 108.800 0.336 0.000 2.442 79 G HA2 -0.247 3.700 3.960 -0.022 0.000 0.219 79 G HA3 -0.247 3.700 3.960 -0.022 0.000 0.219 79 G C 1.739 176.793 174.900 0.257 0.000 1.141 79 G CA 1.069 46.329 45.100 0.268 0.000 0.763 79 G HN 0.354 nan 8.290 nan 0.000 0.554 80 S N 0.390 116.365 115.700 0.458 0.000 2.355 80 S HA 0.008 4.465 4.470 -0.022 0.000 0.222 80 S C 2.309 177.068 174.600 0.266 0.000 1.031 80 S CA 0.836 59.307 58.200 0.451 0.000 0.993 80 S CB -0.257 63.213 63.200 0.450 0.000 0.859 80 S HN 0.307 nan 8.310 nan 0.000 0.453 81 L N 1.036 122.438 121.223 0.299 0.000 2.046 81 L HA -0.107 4.220 4.340 -0.022 0.000 0.208 81 L C 2.524 179.508 176.870 0.189 0.000 1.077 81 L CA 1.162 56.180 54.840 0.296 0.000 0.747 81 L CB -0.401 41.817 42.059 0.265 0.000 0.896 81 L HN 0.187 nan 8.230 nan 0.000 0.432 82 K N 0.374 120.830 120.400 0.094 0.000 2.097 82 K HA -0.199 4.108 4.320 -0.022 0.000 0.206 82 K C 2.275 178.780 176.600 -0.159 0.000 1.049 82 K CA 1.247 57.530 56.287 -0.007 0.000 0.933 82 K CB -0.269 32.231 32.500 0.000 0.000 0.717 82 K HN -0.032 nan 8.250 nan 0.000 0.442 83 R N 0.202 120.512 120.500 -0.317 0.000 2.117 83 R HA -0.154 4.173 4.340 -0.022 0.000 0.243 83 R C 1.078 177.030 176.300 -0.581 0.000 1.143 83 R CA 1.727 57.429 56.100 -0.663 0.000 0.968 83 R CB -0.496 29.024 30.300 -1.300 0.000 0.863 83 R HN 0.486 nan 8.270 nan 0.000 0.444 84 H N -1.297 117.678 119.070 -0.159 0.000 2.533 84 H HA 0.156 4.699 4.556 -0.021 0.000 0.271 84 H C 0.916 176.133 175.328 -0.186 0.000 1.000 84 H CA 0.871 56.864 56.048 -0.091 0.000 1.149 84 H CB 0.335 30.137 29.762 0.067 0.000 1.375 84 H HN 0.542 nan 8.280 nan 0.000 0.582 85 G N 1.018 109.711 108.800 -0.178 0.000 2.134 85 G HA2 -0.190 3.757 3.960 -0.022 0.000 0.209 85 G HA3 -0.190 3.757 3.960 -0.022 0.000 0.209 85 G C -0.371 174.240 174.900 -0.482 0.000 0.993 85 G CA -0.443 44.460 45.100 -0.328 0.000 0.669 85 G HN 0.471 nan 8.290 nan 0.000 0.519 86 H N 0.427 119.516 119.070 0.032 0.000 2.529 86 H HA 0.359 4.902 4.556 -0.022 0.000 0.348 86 H C -0.398 174.957 175.328 0.045 0.000 1.079 86 H CA -0.757 55.317 56.048 0.043 0.000 1.198 86 H CB 1.510 31.311 29.762 0.064 0.000 1.521 86 H HN 0.185 nan 8.280 nan 0.000 0.514 87 E N 4.537 124.826 120.200 0.148 0.000 2.328 87 E HA 0.029 4.366 4.350 -0.022 0.000 0.265 87 E C -1.485 175.188 176.600 0.122 0.000 1.057 87 E CA -1.638 54.829 56.400 0.111 0.000 0.916 87 E CB 1.235 30.984 29.700 0.081 0.000 0.993 87 E HN 0.446 nan 8.360 nan 0.000 0.446 88 P HA -0.191 nan 4.420 nan 0.000 0.216 88 P C 0.987 178.332 177.300 0.075 0.000 1.150 88 P CA 1.271 64.440 63.100 0.114 0.000 0.837 88 P CB 0.224 32.002 31.700 0.130 0.000 0.786 89 A N 0.058 122.920 122.820 0.070 0.000 2.067 89 A HA -0.169 4.138 4.320 -0.022 0.000 0.219 89 A C 2.063 179.670 177.584 0.039 0.000 1.158 89 A CA 1.308 53.374 52.037 0.049 0.000 0.661 89 A CB -0.982 18.050 19.000 0.053 0.000 0.801 89 A HN 0.237 nan 8.150 nan 0.000 0.452 90 E N -0.615 119.615 120.200 0.050 0.000 2.318 90 E HA -0.017 4.320 4.350 -0.022 0.000 0.193 90 E C 1.587 178.204 176.600 0.027 0.000 0.998 90 E CA 1.040 57.465 56.400 0.042 0.000 0.859 90 E CB 0.157 29.892 29.700 0.058 0.000 0.812 90 E HN 0.618 nan 8.360 nan 0.000 0.492 91 V N -2.309 117.620 119.914 0.025 0.000 3.661 91 V HA 0.185 4.292 4.120 -0.022 0.000 0.271 91 V C 0.563 176.646 176.094 -0.018 0.000 1.315 91 V CA -0.326 61.968 62.300 -0.010 0.000 1.072 91 V CB 0.672 32.467 31.823 -0.046 0.000 0.830 91 V HN -0.160 nan 8.190 nan 0.000 0.443 92 V N 4.078 123.987 119.914 -0.008 0.000 2.326 92 V HA 0.480 4.587 4.120 -0.022 0.000 0.281 92 V C -2.406 173.670 176.094 -0.031 0.000 1.015 92 V CA -1.741 60.542 62.300 -0.029 0.000 0.823 92 V CB 1.232 33.035 31.823 -0.034 0.000 1.009 92 V HN 0.294 nan 8.190 nan 0.000 0.436 93 P HA 0.242 nan 4.420 nan 0.000 0.271 93 P C 0.954 178.228 177.300 -0.042 0.000 1.216 93 P CA 0.905 63.985 63.100 -0.033 0.000 0.771 93 P CB 1.329 33.009 31.700 -0.034 0.000 0.864 94 G N 1.856 110.636 108.800 -0.034 0.000 2.184 94 G HA2 -0.329 3.618 3.960 -0.022 0.000 0.264 94 G HA3 -0.329 3.618 3.960 -0.022 0.000 0.264 94 G C 0.557 175.432 174.900 -0.042 0.000 0.975 94 G CA 0.365 45.442 45.100 -0.039 0.000 0.642 94 G HN 0.562 nan 8.290 nan 0.000 0.536 95 L N 0.802 122.002 121.223 -0.038 0.000 2.044 95 L HA 0.288 4.615 4.340 -0.022 0.000 0.205 95 L C 2.428 179.288 176.870 -0.016 0.000 1.075 95 L CA 2.943 57.761 54.840 -0.036 0.000 0.747 95 L CB -0.559 41.483 42.059 -0.029 0.000 0.903 95 L HN 0.445 nan 8.230 nan 0.000 0.435 96 E N -0.451 119.746 120.200 -0.004 0.000 2.058 96 E HA -0.210 4.127 4.350 -0.022 0.000 0.194 96 E C -0.512 176.087 176.600 -0.002 0.000 0.997 96 E CA 1.692 58.095 56.400 0.006 0.000 0.801 96 E CB -0.792 28.918 29.700 0.017 0.000 0.746 96 E HN 0.398 nan 8.360 nan 0.000 0.450 97 P HA -0.141 nan 4.420 nan 0.000 0.217 97 P C 1.448 178.740 177.300 -0.015 0.000 1.150 97 P CA 1.011 64.104 63.100 -0.012 0.000 0.832 97 P CB 0.051 31.741 31.700 -0.018 0.000 0.787 98 V N -0.337 119.566 119.914 -0.019 0.000 2.287 98 V HA -0.245 3.862 4.120 -0.022 0.000 0.248 98 V C 2.457 178.553 176.094 0.002 0.000 1.053 98 V CA 1.715 64.008 62.300 -0.012 0.000 1.027 98 V CB -1.325 30.487 31.823 -0.018 0.000 0.646 98 V HN 0.074 nan 8.190 nan 0.000 0.447 99 L N -0.787 120.433 121.223 -0.005 0.000 2.046 99 L HA -0.186 4.141 4.340 -0.022 0.000 0.208 99 L C 2.428 179.283 176.870 -0.026 0.000 1.077 99 L CA 1.512 56.343 54.840 -0.015 0.000 0.747 99 L CB -0.562 41.485 42.059 -0.021 0.000 0.896 99 L HN 0.307 nan 8.230 nan 0.000 0.432 100 L N -0.624 120.588 121.223 -0.018 0.000 2.093 100 L HA -0.210 4.117 4.340 -0.022 0.000 0.208 100 L C 2.206 179.072 176.870 -0.006 0.000 1.085 100 L CA 0.958 55.788 54.840 -0.016 0.000 0.755 100 L CB -0.606 41.451 42.059 -0.003 0.000 0.904 100 L HN 0.260 nan 8.230 nan 0.000 0.435 101 D N 0.179 120.579 120.400 0.000 0.000 2.117 101 D HA -0.133 4.494 4.640 -0.022 0.000 0.197 101 D C 2.395 178.712 176.300 0.029 0.000 0.987 101 D CA 1.166 55.172 54.000 0.009 0.000 0.829 101 D CB -0.078 40.722 40.800 -0.001 0.000 0.961 101 D HN 0.255 nan 8.370 nan 0.000 0.460 102 L N 0.494 121.738 121.223 0.035 0.000 2.109 102 L HA -0.078 4.249 4.340 -0.022 0.000 0.207 102 L C 2.523 179.405 176.870 0.021 0.000 1.086 102 L CA 0.890 55.760 54.840 0.049 0.000 0.760 102 L CB -0.385 41.708 42.059 0.056 0.000 0.910 102 L HN -0.039 nan 8.230 nan 0.000 0.437 103 A N 0.400 123.218 122.820 -0.003 0.000 1.883 103 A HA -0.284 4.023 4.320 -0.022 0.000 0.217 103 A C 2.426 180.021 177.584 0.019 0.000 1.186 103 A CA 2.071 54.100 52.037 -0.012 0.000 0.624 103 A CB -0.647 18.314 19.000 -0.065 0.000 0.822 103 A HN 0.379 nan 8.150 nan 0.000 0.444 104 R N -0.391 120.121 120.500 0.021 0.000 2.091 104 R HA -0.118 4.209 4.340 -0.022 0.000 0.238 104 R C 2.160 178.494 176.300 0.057 0.000 1.136 104 R CA 1.624 57.744 56.100 0.034 0.000 0.959 104 R CB -0.407 29.908 30.300 0.026 0.000 0.856 104 R HN 0.430 nan 8.270 nan 0.000 0.437 105 A N -0.364 122.493 122.820 0.060 0.000 2.066 105 A HA -0.067 4.240 4.320 -0.022 0.000 0.218 105 A C 1.885 179.533 177.584 0.106 0.000 1.157 105 A CA 1.527 53.613 52.037 0.081 0.000 0.670 105 A CB -0.263 18.790 19.000 0.088 0.000 0.804 105 A HN 0.629 nan 8.150 nan 0.000 0.453 106 T N -4.781 109.825 114.554 0.087 0.000 3.023 106 T HA 0.143 4.480 4.350 -0.022 0.000 0.253 106 T C 0.561 175.445 174.700 0.307 0.000 1.038 106 T CA 0.477 62.676 62.100 0.165 0.000 0.962 106 T CB -0.648 68.184 68.868 -0.060 0.000 1.018 106 T HN 0.561 nan 8.240 nan 0.000 0.521 107 N N 0.639 119.442 118.700 0.172 0.000 2.727 107 N HA -0.139 4.588 4.740 -0.022 0.000 0.249 107 N C -0.843 174.744 175.510 0.129 0.000 1.048 107 N CA 0.053 53.178 53.050 0.125 0.000 0.714 107 N CB -0.929 37.624 38.487 0.110 0.000 0.959 107 N HN 0.546 nan 8.380 nan 0.000 0.544 108 L N -0.741 120.554 121.223 0.120 0.000 2.277 108 L HA 0.675 5.002 4.340 -0.022 0.000 0.254 108 L C -2.113 174.747 176.870 -0.018 0.000 1.044 108 L CA -2.009 52.894 54.840 0.105 0.000 0.842 108 L CB 1.647 43.854 42.059 0.248 0.000 1.422 108 L HN -0.109 nan 8.230 nan 0.000 0.422 109 P HA 0.098 nan 4.420 nan 0.000 0.271 109 P C -2.461 174.640 177.300 -0.331 0.000 1.233 109 P CA -1.007 61.889 63.100 -0.340 0.000 0.789 109 P CB -0.109 31.331 31.700 -0.432 0.000 0.951 110 P HA 0.107 nan 4.420 nan 0.000 0.226 110 P C -0.392 176.758 177.300 -0.249 0.000 1.758 110 P CA 0.333 63.241 63.100 -0.321 0.000 0.896 110 P CB -0.202 31.323 31.700 -0.291 0.000 1.784 111 R N -1.252 119.126 120.500 -0.204 0.000 2.756 111 R HA 0.395 4.722 4.340 -0.022 0.000 0.273 111 R C -0.864 175.334 176.300 -0.170 0.000 1.030 111 R CA -0.984 55.050 56.100 -0.109 0.000 0.887 111 R CB 0.434 30.728 30.300 -0.009 0.000 1.274 111 R HN -0.161 nan 8.270 nan 0.000 0.461 112 E N 1.528 121.635 120.200 -0.155 0.000 2.373 112 E HA 0.196 4.533 4.350 -0.022 0.000 0.267 112 E C -0.749 175.848 176.600 -0.004 0.000 1.032 112 E CA -0.026 56.214 56.400 -0.267 0.000 0.889 112 E CB 1.326 30.894 29.700 -0.220 0.000 0.984 112 E HN 0.682 nan 8.360 nan 0.000 0.425 113 T N -0.183 114.487 114.554 0.194 0.000 2.905 113 T HA 0.273 4.610 4.350 -0.022 0.000 0.283 113 T C 1.132 175.925 174.700 0.156 0.000 1.031 113 T CA -0.633 61.627 62.100 0.267 0.000 1.002 113 T CB 0.922 70.006 68.868 0.360 0.000 1.200 113 T HN 0.356 nan 8.240 nan 0.000 0.560 114 L N 0.581 121.834 121.223 0.049 0.000 2.021 114 L HA -0.055 4.272 4.340 -0.022 0.000 0.215 114 L C 2.373 179.150 176.870 -0.155 0.000 1.074 114 L CA 1.787 56.599 54.840 -0.047 0.000 0.760 114 L CB -1.190 40.828 42.059 -0.070 0.000 0.889 114 L HN 0.794 nan 8.230 nan 0.000 0.433 115 L N -1.468 119.559 121.223 -0.327 0.000 2.012 115 L HA -0.292 4.035 4.340 -0.022 0.000 0.210 115 L C 2.508 178.979 176.870 -0.665 0.000 1.073 115 L CA 1.733 56.070 54.840 -0.838 0.000 0.748 115 L CB -0.969 40.148 42.059 -1.571 0.000 0.891 115 L HN 0.378 nan 8.230 nan 0.000 0.431 116 H N -0.826 118.136 119.070 -0.180 0.000 2.352 116 H HA -0.161 4.381 4.556 -0.022 0.000 0.299 116 H C 2.112 177.518 175.328 0.129 0.000 1.097 116 H CA 1.922 58.076 56.048 0.176 0.000 1.311 116 H CB -0.322 29.535 29.762 0.157 0.000 1.377 116 H HN 0.331 nan 8.280 nan 0.000 0.504 117 V N -1.539 118.459 119.914 0.141 0.000 3.406 117 V HA 0.026 4.133 4.120 -0.022 0.000 0.263 117 V C 1.617 177.819 176.094 0.180 0.000 1.172 117 V CA 1.371 63.785 62.300 0.190 0.000 1.140 117 V CB -0.150 31.704 31.823 0.051 0.000 0.784 117 V HN 0.605 nan 8.190 nan 0.000 0.467 118 T N -0.390 114.189 114.554 0.041 0.000 3.556 118 T HA 0.100 4.437 4.350 -0.022 0.000 0.204 118 T C 1.720 176.397 174.700 -0.037 0.000 0.896 118 T CA 1.316 63.413 62.100 -0.004 0.000 1.380 118 T CB -0.152 68.677 68.868 -0.066 0.000 1.584 118 T HN 0.653 nan 8.240 nan 0.000 0.411 119 V N -2.104 117.694 119.914 -0.194 0.000 2.626 119 V HA 0.084 4.191 4.120 -0.022 0.000 0.252 119 V C 1.871 178.017 176.094 0.087 0.000 1.067 119 V CA 0.758 62.945 62.300 -0.189 0.000 1.081 119 V CB -1.259 30.174 31.823 -0.650 0.000 0.686 119 V HN 0.619 nan 8.190 nan 0.000 0.468 120 W N 0.948 122.216 121.300 -0.054 0.000 3.353 120 W HA 0.437 5.084 4.660 -0.021 0.000 0.304 120 W C 0.676 177.214 176.519 0.032 0.000 1.273 120 W CA -0.982 56.359 57.345 -0.005 0.000 1.773 120 W CB -1.097 28.332 29.460 -0.051 0.000 1.095 120 W HN 0.346 nan 8.180 nan 0.000 0.676 121 N N 1.888 120.727 118.700 0.232 0.000 2.424 121 N HA 0.252 4.979 4.740 -0.022 0.000 0.271 121 N C -2.627 172.940 175.510 0.096 0.000 0.985 121 N CA -2.293 50.857 53.050 0.167 0.000 0.921 121 N CB 1.867 40.466 38.487 0.186 0.000 1.149 121 N HN -0.297 nan 8.380 nan 0.000 0.492 122 P HA 0.067 nan 4.420 nan 0.000 0.269 122 P C 0.411 177.717 177.300 0.011 0.000 1.215 122 P CA 0.012 63.130 63.100 0.030 0.000 0.780 122 P CB 0.551 32.253 31.700 0.003 0.000 0.898 123 T N -2.181 112.379 114.554 0.011 0.000 3.057 123 T HA 0.259 4.596 4.350 -0.022 0.000 0.254 123 T C 0.972 175.664 174.700 -0.014 0.000 1.094 123 T CA 0.039 62.140 62.100 0.002 0.000 1.088 123 T CB -0.258 68.615 68.868 0.010 0.000 0.934 123 T HN 0.515 nan 8.240 nan 0.000 0.497 124 A N 1.017 123.827 122.820 -0.017 0.000 2.407 124 A HA 0.770 5.077 4.320 -0.022 0.000 0.248 124 A C 1.918 179.479 177.584 -0.037 0.000 1.082 124 A CA 0.028 52.052 52.037 -0.023 0.000 0.785 124 A CB -0.064 18.924 19.000 -0.020 0.000 1.020 124 A HN 0.501 nan 8.150 nan 0.000 0.489 125 A N 1.426 124.225 122.820 -0.036 0.000 1.940 125 A HA -0.171 4.136 4.320 -0.022 0.000 0.219 125 A C 1.443 178.995 177.584 -0.053 0.000 1.176 125 A CA 2.071 54.081 52.037 -0.045 0.000 0.631 125 A CB -0.544 18.434 19.000 -0.036 0.000 0.814 125 A HN 0.920 nan 8.150 nan 0.000 0.446 126 D N -1.295 119.078 120.400 -0.044 0.000 2.324 126 D HA 0.380 5.007 4.640 -0.022 0.000 0.235 126 D C 0.814 177.079 176.300 -0.058 0.000 1.095 126 D CA 0.929 54.900 54.000 -0.048 0.000 0.871 126 D CB 0.127 40.905 40.800 -0.036 0.000 0.906 126 D HN 0.365 nan 8.370 nan 0.000 0.522 127 A N -0.469 122.312 122.820 -0.065 0.000 2.150 127 A HA 0.091 4.398 4.320 -0.022 0.000 0.191 127 A C 0.953 178.479 177.584 -0.096 0.000 1.591 127 A CA -0.249 51.745 52.037 -0.073 0.000 1.142 127 A CB -0.194 18.776 19.000 -0.050 0.000 1.326 127 A HN 0.181 nan 8.150 nan 0.000 0.470 128 Q N 1.324 121.066 119.800 -0.097 0.000 2.255 128 Q HA 0.236 4.563 4.340 -0.022 0.000 0.280 128 Q C -0.586 175.277 176.000 -0.229 0.000 1.068 128 Q CA -0.070 55.661 55.803 -0.121 0.000 0.911 128 Q CB 0.331 29.014 28.738 -0.090 0.000 1.157 128 Q HN 0.351 nan 8.270 nan 0.000 0.380 129 R N 1.783 122.083 120.500 -0.332 0.000 2.539 129 R HA 0.376 4.703 4.340 -0.022 0.000 0.275 129 R C -0.705 175.003 176.300 -0.988 0.000 1.077 129 R CA 0.147 55.807 56.100 -0.733 0.000 1.097 129 R CB 1.352 31.091 30.300 -0.935 0.000 1.018 129 R HN 0.782 nan 8.270 nan 0.000 0.483 130 S N 0.374 115.404 115.700 -1.116 0.000 2.547 130 S HA 0.295 4.752 4.470 -0.022 0.000 0.270 130 S C -0.237 174.015 174.600 -0.580 0.000 1.150 130 S CA -0.886 56.907 58.200 -0.678 0.000 0.850 130 S CB 0.518 63.544 63.200 -0.290 0.000 1.118 130 S HN 0.513 nan 8.310 nan 0.000 0.461 131 Y N 1.486 121.688 120.300 -0.164 0.000 2.184 131 Y HA -0.000 4.537 4.550 -0.022 0.000 0.290 131 Y C 3.002 178.558 175.900 -0.573 0.000 1.129 131 Y CA 1.884 59.723 58.100 -0.435 0.000 1.144 131 Y CB -0.326 37.603 38.460 -0.886 0.000 0.995 131 Y HN 0.953 nan 8.280 nan 0.000 0.513 132 T N -5.531 108.848 114.554 -0.291 0.000 2.969 132 T HA 0.361 4.698 4.350 -0.022 0.000 0.250 132 T C 1.795 176.425 174.700 -0.117 0.000 1.021 132 T CA 0.426 62.394 62.100 -0.220 0.000 1.003 132 T CB 0.125 68.888 68.868 -0.175 0.000 1.040 132 T HN 0.412 nan 8.240 nan 0.000 0.492 133 G N 1.786 110.511 108.800 -0.125 0.000 2.175 133 G HA2 -0.238 3.709 3.960 -0.022 0.000 0.265 133 G HA3 -0.238 3.709 3.960 -0.022 0.000 0.265 133 G C -0.006 174.853 174.900 -0.068 0.000 0.979 133 G CA 0.542 45.582 45.100 -0.099 0.000 0.663 133 G HN 0.666 nan 8.290 nan 0.000 0.533 134 L N 0.558 121.750 121.223 -0.051 0.000 2.417 134 L HA 0.277 4.604 4.340 -0.022 0.000 0.268 134 L C -0.102 176.735 176.870 -0.055 0.000 1.158 134 L CA -1.732 53.091 54.840 -0.029 0.000 0.819 134 L CB 0.858 42.919 42.059 0.004 0.000 1.112 134 L HN -0.089 nan 8.230 nan 0.000 0.458 135 P HA -0.146 nan 4.420 nan 0.000 0.216 135 P C 0.571 177.712 177.300 -0.264 0.000 1.150 135 P CA 1.213 64.195 63.100 -0.196 0.000 0.837 135 P CB 0.166 31.810 31.700 -0.093 0.000 0.786 136 D N -0.127 120.278 120.400 0.009 0.000 2.144 136 D HA -0.179 4.448 4.640 -0.022 0.000 0.199 136 D C 2.069 178.472 176.300 0.171 0.000 0.984 136 D CA 1.030 55.131 54.000 0.169 0.000 0.834 136 D CB -0.483 40.436 40.800 0.199 0.000 0.955 136 D HN 0.350 nan 8.370 nan 0.000 0.465 137 E N 0.299 120.564 120.200 0.109 0.000 2.072 137 E HA -0.169 4.168 4.350 -0.022 0.000 0.191 137 E C 2.057 178.721 176.600 0.107 0.000 0.985 137 E CA 0.892 57.382 56.400 0.150 0.000 0.801 137 E CB -0.039 29.730 29.700 0.116 0.000 0.750 137 E HN 0.253 nan 8.360 nan 0.000 0.452 138 A N 1.009 123.815 122.820 -0.022 0.000 1.908 138 A HA -0.216 4.091 4.320 -0.022 0.000 0.218 138 A C 1.901 179.509 177.584 0.040 0.000 1.181 138 A CA 1.685 53.687 52.037 -0.058 0.000 0.627 138 A CB -0.822 18.068 19.000 -0.183 0.000 0.818 138 A HN 0.361 nan 8.150 nan 0.000 0.445 139 H N -1.070 118.102 119.070 0.170 0.000 2.357 139 H HA -0.079 4.464 4.556 -0.022 0.000 0.301 139 H C 2.053 177.575 175.328 0.323 0.000 1.082 139 H CA 1.586 57.807 56.048 0.288 0.000 1.342 139 H CB -0.719 29.194 29.762 0.252 0.000 1.389 139 H HN 0.413 nan 8.280 nan 0.000 0.511 140 L N 0.944 122.389 121.223 0.370 0.000 2.012 140 L HA -0.152 4.175 4.340 -0.022 0.000 0.210 140 L C 2.322 179.326 176.870 0.223 0.000 1.073 140 L CA 1.331 56.355 54.840 0.308 0.000 0.748 140 L CB -0.814 41.445 42.059 0.334 0.000 0.891 140 L HN 0.133 nan 8.230 nan 0.000 0.431 141 L N -0.839 120.496 121.223 0.186 0.000 2.046 141 L HA -0.198 4.129 4.340 -0.022 0.000 0.208 141 L C 2.566 179.477 176.870 0.068 0.000 1.077 141 L CA 1.507 56.419 54.840 0.120 0.000 0.747 141 L CB -0.802 41.323 42.059 0.110 0.000 0.896 141 L HN 0.343 nan 8.230 nan 0.000 0.432 142 E N 0.637 120.880 120.200 0.071 0.000 2.077 142 E HA -0.179 4.158 4.350 -0.022 0.000 0.193 142 E C 2.165 178.672 176.600 -0.155 0.000 0.989 142 E CA 1.796 58.162 56.400 -0.057 0.000 0.800 142 E CB -0.123 29.529 29.700 -0.080 0.000 0.746 142 E HN 0.264 nan 8.360 nan 0.000 0.452 143 S N -0.609 115.076 115.700 -0.024 0.000 2.387 143 S HA -0.158 4.299 4.470 -0.022 0.000 0.230 143 S C 1.979 176.583 174.600 0.006 0.000 1.035 143 S CA 1.311 59.526 58.200 0.025 0.000 1.014 143 S CB -0.330 63.022 63.200 0.253 0.000 0.836 143 S HN 0.196 nan 8.310 nan 0.000 0.466 144 V N 1.633 121.556 119.914 0.015 0.000 2.379 144 V HA -0.080 4.027 4.120 -0.022 0.000 0.245 144 V C 2.320 178.383 176.094 -0.051 0.000 1.044 144 V CA 1.403 63.692 62.300 -0.018 0.000 1.036 144 V CB -0.575 31.236 31.823 -0.020 0.000 0.664 144 V HN 0.359 nan 8.190 nan 0.000 0.453 145 R N -0.169 120.300 120.500 -0.053 0.000 2.159 145 R HA -0.098 4.229 4.340 -0.022 0.000 0.237 145 R C 2.190 178.463 176.300 -0.046 0.000 1.131 145 R CA 1.414 57.487 56.100 -0.046 0.000 0.982 145 R CB -0.469 29.810 30.300 -0.035 0.000 0.868 145 R HN 0.447 nan 8.270 nan 0.000 0.453 146 I N 0.343 120.862 120.570 -0.085 0.000 2.264 146 I HA -0.292 3.865 4.170 -0.022 0.000 0.248 146 I C 2.025 178.117 176.117 -0.041 0.000 1.111 146 I CA 1.795 63.047 61.300 -0.081 0.000 1.382 146 I CB -0.100 37.830 38.000 -0.117 0.000 1.060 146 I HN 0.241 nan 8.210 nan 0.000 0.418 147 S N -1.458 114.216 115.700 -0.043 0.000 2.604 147 S HA 0.103 4.560 4.470 -0.022 0.000 0.235 147 S C 1.553 176.116 174.600 -0.060 0.000 1.043 147 S CA -0.349 57.820 58.200 -0.051 0.000 0.997 147 S CB 0.018 63.172 63.200 -0.076 0.000 0.956 147 S HN 0.199 nan 8.310 nan 0.000 0.535 148 M N 3.573 123.142 119.600 -0.051 0.000 2.065 148 M HA 0.138 4.605 4.480 -0.022 0.000 0.259 148 M C 2.159 178.464 176.300 0.009 0.000 1.069 148 M CA 2.139 57.405 55.300 -0.057 0.000 1.110 148 M CB -1.023 31.517 32.600 -0.100 0.000 1.328 148 M HN 0.427 nan 8.290 nan 0.000 0.405 149 A N -0.376 122.522 122.820 0.130 0.000 1.933 149 A HA 0.056 4.363 4.320 -0.022 0.000 0.218 149 A C 2.362 179.932 177.584 -0.023 0.000 1.175 149 A CA 2.035 54.149 52.037 0.128 0.000 0.628 149 A CB -1.437 17.684 19.000 0.202 0.000 0.814 149 A HN 0.684 nan 8.150 nan 0.000 0.444 150 A N -0.529 122.309 122.820 0.031 0.000 1.930 150 A HA 0.001 4.308 4.320 -0.022 0.000 0.217 150 A C 2.110 179.671 177.584 -0.037 0.000 1.175 150 A CA 1.669 53.768 52.037 0.104 0.000 0.627 150 A CB -0.552 18.501 19.000 0.090 0.000 0.815 150 A HN 0.708 nan 8.150 nan 0.000 0.443 151 L N 0.243 121.381 121.223 -0.142 0.000 2.056 151 L HA -0.128 4.199 4.340 -0.022 0.000 0.207 151 L C 2.105 178.747 176.870 -0.380 0.000 1.078 151 L CA 2.390 57.085 54.840 -0.242 0.000 0.749 151 L CB -0.732 41.173 42.059 -0.257 0.000 0.901 151 L HN 0.519 nan 8.230 nan 0.000 0.433 152 E N -0.239 119.679 120.200 -0.470 0.000 2.077 152 E HA -0.225 4.112 4.350 -0.022 0.000 0.193 152 E C 2.177 178.211 176.600 -0.944 0.000 0.989 152 E CA 1.158 57.120 56.400 -0.730 0.000 0.800 152 E CB -0.348 28.828 29.700 -0.873 0.000 0.746 152 E HN 0.668 nan 8.360 nan 0.000 0.452 153 A N 1.593 123.872 122.820 -0.901 0.000 1.902 153 A HA -0.143 4.164 4.320 -0.022 0.000 0.217 153 A C 2.416 179.723 177.584 -0.461 0.000 1.181 153 A CA 1.745 53.465 52.037 -0.529 0.000 0.623 153 A CB -0.657 18.127 19.000 -0.361 0.000 0.818 153 A HN 0.299 nan 8.150 nan 0.000 0.443 154 A N -0.076 122.504 122.820 -0.399 0.000 1.902 154 A HA -0.086 4.221 4.320 -0.022 0.000 0.217 154 A C 2.102 179.517 177.584 -0.281 0.000 1.181 154 A CA 1.512 53.366 52.037 -0.304 0.000 0.623 154 A CB -0.631 18.251 19.000 -0.197 0.000 0.818 154 A HN 0.508 nan 8.150 nan 0.000 0.443 155 I N -0.123 120.253 120.570 -0.322 0.000 2.163 155 I HA -0.323 3.834 4.170 -0.022 0.000 0.243 155 I C 2.992 179.004 176.117 -0.175 0.000 1.085 155 I CA 1.205 62.332 61.300 -0.289 0.000 1.347 155 I CB -0.395 37.356 38.000 -0.415 0.000 1.044 155 I HN 0.355 nan 8.210 nan 0.000 0.408 156 A N 0.912 123.655 122.820 -0.128 0.000 1.908 156 A HA -0.179 4.128 4.320 -0.022 0.000 0.218 156 A C 2.297 179.832 177.584 -0.081 0.000 1.181 156 A CA 1.580 53.596 52.037 -0.035 0.000 0.627 156 A CB -0.942 18.094 19.000 0.060 0.000 0.818 156 A HN 0.420 nan 8.150 nan 0.000 0.445 157 L N -0.871 120.260 121.223 -0.154 0.000 2.141 157 L HA -0.132 4.195 4.340 -0.022 0.000 0.209 157 L C 2.690 179.477 176.870 -0.138 0.000 1.094 157 L CA 1.575 56.321 54.840 -0.157 0.000 0.763 157 L CB -0.852 41.072 42.059 -0.227 0.000 0.908 157 L HN 0.342 nan 8.230 nan 0.000 0.437 158 T N -0.585 113.876 114.554 -0.154 0.000 2.777 158 T HA -0.116 4.221 4.350 -0.022 0.000 0.266 158 T C 2.041 176.672 174.700 -0.116 0.000 1.040 158 T CA 1.130 63.139 62.100 -0.150 0.000 1.141 158 T CB -0.136 68.618 68.868 -0.189 0.000 0.868 158 T HN 0.047 nan 8.240 nan 0.000 0.444 159 V N 1.564 121.403 119.914 -0.125 0.000 2.407 159 V HA -0.171 3.936 4.120 -0.022 0.000 0.248 159 V C 2.455 178.591 176.094 0.070 0.000 1.055 159 V CA 1.666 63.925 62.300 -0.068 0.000 1.049 159 V CB -0.588 31.234 31.823 -0.002 0.000 0.662 159 V HN 0.535 nan 8.190 nan 0.000 0.455 160 E N -0.258 119.957 120.200 0.026 0.000 2.072 160 E HA -0.217 4.120 4.350 -0.022 0.000 0.191 160 E C 2.117 178.739 176.600 0.038 0.000 0.985 160 E CA 1.173 57.596 56.400 0.038 0.000 0.801 160 E CB -0.216 29.480 29.700 -0.006 0.000 0.750 160 E HN 0.409 nan 8.360 nan 0.000 0.452 161 L N 0.516 121.723 121.223 -0.027 0.000 2.083 161 L HA -0.146 4.181 4.340 -0.022 0.000 0.209 161 L C 1.982 178.858 176.870 0.011 0.000 1.083 161 L CA 1.413 56.186 54.840 -0.111 0.000 0.752 161 L CB -0.510 41.397 42.059 -0.253 0.000 0.899 161 L HN 0.087 nan 8.230 nan 0.000 0.433 162 F N 0.495 120.422 119.950 -0.039 0.000 2.115 162 F HA -0.292 4.221 4.527 -0.023 0.000 0.300 162 F C 1.878 177.745 175.800 0.112 0.000 1.092 162 F CA 2.175 60.204 58.000 0.049 0.000 1.245 162 F CB -0.130 38.904 39.000 0.057 0.000 0.995 162 F HN 0.237 nan 8.300 nan 0.000 0.481 163 D N -0.100 120.462 120.400 0.271 0.000 2.340 163 D HA 0.108 4.735 4.640 -0.022 0.000 0.217 163 D C -0.131 176.233 176.300 0.108 0.000 1.081 163 D CA 0.287 54.398 54.000 0.184 0.000 0.842 163 D CB 0.289 41.217 40.800 0.215 0.000 0.934 163 D HN -0.036 nan 8.370 nan 0.000 0.511 164 V N 1.110 121.089 119.914 0.108 0.000 2.432 164 V HA 0.104 4.211 4.120 -0.022 0.000 0.275 164 V C 0.679 176.911 176.094 0.231 0.000 1.043 164 V CA -0.631 61.750 62.300 0.134 0.000 0.925 164 V CB 1.639 33.514 31.823 0.087 0.000 0.985 164 V HN -0.024 nan 8.190 nan 0.000 0.466 165 S N 3.585 119.372 115.700 0.145 0.000 2.549 165 S HA 0.130 4.587 4.470 -0.022 0.000 0.283 165 S C 0.960 175.612 174.600 0.088 0.000 1.320 165 S CA -0.552 57.699 58.200 0.084 0.000 1.058 165 S CB 0.538 63.753 63.200 0.025 0.000 0.882 165 S HN 0.648 nan 8.310 nan 0.000 0.498 166 L N 5.875 127.019 121.223 -0.131 0.000 2.191 166 L HA 0.030 4.357 4.340 -0.022 0.000 0.212 166 L C 2.382 179.169 176.870 -0.138 0.000 1.103 166 L CA 1.710 56.306 54.840 -0.407 0.000 0.769 166 L CB -0.358 41.375 42.059 -0.544 0.000 0.908 166 L HN 0.715 nan 8.230 nan 0.000 0.438 167 R N -1.261 119.201 120.500 -0.064 0.000 2.235 167 R HA 0.013 4.340 4.340 -0.022 0.000 0.213 167 R C 1.009 177.257 176.300 -0.086 0.000 1.059 167 R CA 0.558 56.650 56.100 -0.013 0.000 0.997 167 R CB -0.269 30.024 30.300 -0.012 0.000 0.884 167 R HN 0.340 nan 8.270 nan 0.000 0.462 168 S N 1.070 116.723 115.700 -0.079 0.000 2.537 168 S HA 0.172 4.629 4.470 -0.022 0.000 0.275 168 S C -1.575 172.941 174.600 -0.140 0.000 1.272 168 S CA -1.882 56.225 58.200 -0.154 0.000 1.050 168 S CB 1.214 64.394 63.200 -0.033 0.000 0.961 168 S HN -0.061 nan 8.310 nan 0.000 0.496 169 P HA -0.114 nan 4.420 nan 0.000 0.221 169 P C 0.923 178.262 177.300 0.066 0.000 1.145 169 P CA 0.992 64.077 63.100 -0.024 0.000 0.795 169 P CB 0.110 31.795 31.700 -0.024 0.000 0.775 170 E N -1.198 119.023 120.200 0.034 0.000 2.160 170 E HA -0.188 4.149 4.350 -0.022 0.000 0.195 170 E C 1.788 178.436 176.600 0.081 0.000 0.991 170 E CA 0.733 57.162 56.400 0.048 0.000 0.810 170 E CB -0.516 29.200 29.700 0.026 0.000 0.742 170 E HN 0.243 nan 8.360 nan 0.000 0.466 171 F N 1.113 121.065 119.950 0.002 0.000 2.075 171 F HA -0.248 4.266 4.527 -0.023 0.000 0.297 171 F C 2.302 178.121 175.800 0.031 0.000 1.113 171 F CA 1.597 59.606 58.000 0.016 0.000 1.218 171 F CB -0.198 38.811 39.000 0.016 0.000 0.984 171 F HN -0.028 nan 8.300 nan 0.000 0.472 172 A N -0.153 122.872 122.820 0.343 0.000 1.908 172 A HA -0.261 4.046 4.320 -0.022 0.000 0.218 172 A C 2.067 179.714 177.584 0.105 0.000 1.181 172 A CA 1.972 54.148 52.037 0.230 0.000 0.627 172 A CB -0.918 18.200 19.000 0.198 0.000 0.818 172 A HN 0.611 nan 8.150 nan 0.000 0.445 173 Q N -0.840 119.007 119.800 0.079 0.000 2.050 173 Q HA -0.145 4.182 4.340 -0.022 0.000 0.202 173 Q C 2.360 178.363 176.000 0.005 0.000 0.980 173 Q CA 1.349 57.178 55.803 0.043 0.000 0.840 173 Q CB -0.211 28.552 28.738 0.042 0.000 0.898 173 Q HN 0.518 nan 8.270 nan 0.000 0.424 174 R N 0.198 120.673 120.500 -0.042 0.000 2.096 174 R HA -0.029 4.298 4.340 -0.022 0.000 0.235 174 R C 2.306 178.533 176.300 -0.121 0.000 1.127 174 R CA 1.100 57.143 56.100 -0.095 0.000 0.968 174 R CB -0.476 29.726 30.300 -0.162 0.000 0.861 174 R HN 0.158 nan 8.270 nan 0.000 0.440 175 S N 1.306 116.916 115.700 -0.150 0.000 2.368 175 S HA -0.109 4.348 4.470 -0.022 0.000 0.224 175 S C 1.350 175.937 174.600 -0.022 0.000 1.029 175 S CA 1.272 59.406 58.200 -0.111 0.000 0.988 175 S CB -0.166 63.004 63.200 -0.050 0.000 0.838 175 S HN 0.266 nan 8.310 nan 0.000 0.462 176 D N 1.045 121.452 120.400 0.012 0.000 2.117 176 D HA -0.118 4.509 4.640 -0.022 0.000 0.197 176 D C 1.973 178.297 176.300 0.040 0.000 0.987 176 D CA 0.935 54.954 54.000 0.031 0.000 0.829 176 D CB -0.301 40.523 40.800 0.040 0.000 0.961 176 D HN 0.557 nan 8.370 nan 0.000 0.460 177 E N 0.088 120.318 120.200 0.049 0.000 2.072 177 E HA -0.161 4.176 4.350 -0.022 0.000 0.191 177 E C 2.144 178.854 176.600 0.184 0.000 0.985 177 E CA 0.380 56.851 56.400 0.118 0.000 0.801 177 E CB -0.060 29.702 29.700 0.104 0.000 0.750 177 E HN 0.075 nan 8.360 nan 0.000 0.452 178 L N 1.829 123.088 121.223 0.060 0.000 2.042 178 L HA -0.186 4.141 4.340 -0.022 0.000 0.210 178 L C 2.299 179.200 176.870 0.052 0.000 1.076 178 L CA 1.981 56.836 54.840 0.025 0.000 0.749 178 L CB -0.582 41.431 42.059 -0.078 0.000 0.893 178 L HN 0.184 nan 8.230 nan 0.000 0.432 179 E N -0.011 120.204 120.200 0.025 0.000 2.085 179 E HA -0.245 4.092 4.350 -0.022 0.000 0.194 179 E C 2.031 178.643 176.600 0.020 0.000 0.994 179 E CA 1.400 57.807 56.400 0.012 0.000 0.801 179 E CB -0.119 29.588 29.700 0.011 0.000 0.743 179 E HN 0.615 nan 8.360 nan 0.000 0.453 180 A N -0.046 122.792 122.820 0.030 0.000 1.933 180 A HA -0.186 4.121 4.320 -0.022 0.000 0.218 180 A C 2.043 179.560 177.584 -0.113 0.000 1.175 180 A CA 1.424 53.433 52.037 -0.047 0.000 0.628 180 A CB -0.890 18.061 19.000 -0.083 0.000 0.814 180 A HN 0.368 nan 8.150 nan 0.000 0.444 181 Y N -0.263 120.006 120.300 -0.051 0.000 2.220 181 Y HA -0.027 4.510 4.550 -0.022 0.000 0.291 181 Y C 2.142 177.989 175.900 -0.087 0.000 1.129 181 Y CA 1.263 59.322 58.100 -0.067 0.000 1.161 181 Y CB -0.247 38.164 38.460 -0.081 0.000 0.997 181 Y HN 0.162 nan 8.280 nan 0.000 0.522 182 L N -0.206 121.047 121.223 0.049 0.000 2.275 182 L HA -0.206 4.121 4.340 -0.022 0.000 0.215 182 L C 2.396 179.245 176.870 -0.034 0.000 1.119 182 L CA 0.905 55.726 54.840 -0.032 0.000 0.790 182 L CB -0.407 41.619 42.059 -0.054 0.000 0.919 182 L HN 0.206 nan 8.230 nan 0.000 0.443 183 Q N 0.678 120.466 119.800 -0.020 0.000 2.197 183 Q HA -0.225 4.102 4.340 -0.022 0.000 0.207 183 Q C 2.052 178.045 176.000 -0.011 0.000 0.984 183 Q CA 1.572 57.368 55.803 -0.013 0.000 0.869 183 Q CB -0.007 28.717 28.738 -0.024 0.000 0.906 183 Q HN 0.160 nan 8.270 nan 0.000 0.426 184 K N -0.367 120.012 120.400 -0.033 0.000 2.103 184 K HA -0.116 4.191 4.320 -0.022 0.000 0.207 184 K C 1.849 178.437 176.600 -0.021 0.000 1.048 184 K CA 1.319 57.588 56.287 -0.029 0.000 0.930 184 K CB -0.317 32.158 32.500 -0.042 0.000 0.716 184 K HN 0.375 nan 8.250 nan 0.000 0.444 185 M N 0.459 120.022 119.600 -0.062 0.000 2.149 185 M HA -0.134 4.333 4.480 -0.022 0.000 0.261 185 M C 2.321 178.693 176.300 0.121 0.000 1.064 185 M CA 1.202 56.446 55.300 -0.094 0.000 1.102 185 M CB -1.123 31.259 32.600 -0.362 0.000 1.369 185 M HN -0.143 nan 8.290 nan 0.000 0.408 186 V N 0.073 120.061 119.914 0.124 0.000 2.307 186 V HA -0.239 3.868 4.120 -0.022 0.000 0.245 186 V C 2.381 178.557 176.094 0.136 0.000 1.045 186 V CA 1.966 64.362 62.300 0.160 0.000 1.024 186 V CB -0.856 31.027 31.823 0.100 0.000 0.651 186 V HN 0.500 nan 8.190 nan 0.000 0.449 187 E N 0.249 120.508 120.200 0.099 0.000 2.118 187 E HA -0.224 4.113 4.350 -0.022 0.000 0.195 187 E C 2.355 179.051 176.600 0.160 0.000 0.992 187 E CA 1.608 58.074 56.400 0.110 0.000 0.804 187 E CB -0.091 29.650 29.700 0.068 0.000 0.741 187 E HN 0.587 nan 8.360 nan 0.000 0.458 188 S N 0.439 116.223 115.700 0.139 0.000 2.359 188 S HA -0.158 4.299 4.470 -0.022 0.000 0.224 188 S C 1.875 176.631 174.600 0.260 0.000 1.035 188 S CA 1.067 59.368 58.200 0.169 0.000 1.018 188 S CB -0.132 63.139 63.200 0.118 0.000 0.876 188 S HN 0.309 nan 8.310 nan 0.000 0.448 189 I N 1.217 121.944 120.570 0.262 0.000 2.252 189 I HA -0.073 4.084 4.170 -0.022 0.000 0.245 189 I C 2.318 178.563 176.117 0.213 0.000 1.102 189 I CA 0.880 62.329 61.300 0.249 0.000 1.385 189 I CB -1.609 36.520 38.000 0.215 0.000 1.064 189 I HN 0.141 nan 8.210 nan 0.000 0.414 190 V N 0.515 120.538 119.914 0.181 0.000 2.287 190 V HA -0.342 3.765 4.120 -0.022 0.000 0.248 190 V C 2.451 178.663 176.094 0.197 0.000 1.053 190 V CA 2.026 64.414 62.300 0.146 0.000 1.027 190 V CB -0.946 30.945 31.823 0.113 0.000 0.646 190 V HN 0.324 nan 8.190 nan 0.000 0.447 191 Y N 1.085 121.480 120.300 0.158 0.000 2.128 191 Y HA -0.280 4.256 4.550 -0.022 0.000 0.284 191 Y C 2.414 178.463 175.900 0.248 0.000 1.154 191 Y CA 1.945 60.194 58.100 0.249 0.000 1.149 191 Y CB -0.520 38.085 38.460 0.242 0.000 0.976 191 Y HN 0.167 nan 8.280 nan 0.000 0.505 192 A N -1.027 122.020 122.820 0.377 0.000 1.933 192 A HA -0.253 4.054 4.320 -0.022 0.000 0.218 192 A C 2.099 179.758 177.584 0.124 0.000 1.175 192 A CA 1.693 53.890 52.037 0.267 0.000 0.628 192 A CB -1.472 17.679 19.000 0.252 0.000 0.814 192 A HN 0.698 nan 8.150 nan 0.000 0.444 193 Y N -0.077 120.221 120.300 -0.003 0.000 2.293 193 Y HA -0.132 4.405 4.550 -0.021 0.000 0.291 193 Y C 2.565 178.369 175.900 -0.160 0.000 1.137 193 Y CA 1.994 60.053 58.100 -0.069 0.000 1.202 193 Y CB -0.141 38.283 38.460 -0.060 0.000 0.990 193 Y HN 0.314 nan 8.280 nan 0.000 0.537 194 R N -1.398 118.998 120.500 -0.172 0.000 2.075 194 R HA -0.086 4.241 4.340 -0.022 0.000 0.226 194 R C 1.200 177.070 176.300 -0.716 0.000 1.114 194 R CA 1.629 57.409 56.100 -0.533 0.000 0.972 194 R CB -0.254 29.539 30.300 -0.845 0.000 0.869 194 R HN 0.320 nan 8.270 nan 0.000 0.437 195 F N -0.164 119.575 119.950 -0.351 0.000 2.717 195 F HA 0.326 4.840 4.527 -0.022 0.000 0.297 195 F C 0.409 176.092 175.800 -0.195 0.000 1.113 195 F CA -0.187 57.533 58.000 -0.467 0.000 1.319 195 F CB 0.559 38.952 39.000 -1.012 0.000 1.097 195 F HN -0.161 nan 8.300 nan 0.000 0.595 196 I N 0.015 120.619 120.570 0.058 0.000 2.321 196 I HA 0.157 4.314 4.170 -0.022 0.000 0.291 196 I C 0.516 176.662 176.117 0.048 0.000 0.998 196 I CA -0.719 60.665 61.300 0.140 0.000 1.227 196 I CB 1.293 39.400 38.000 0.178 0.000 1.368 196 I HN -0.181 nan 8.210 nan 0.000 0.466 197 S N 7.853 123.608 115.700 0.091 0.000 2.516 197 S HA 0.177 4.634 4.470 -0.022 0.000 0.282 197 S C -1.442 173.211 174.600 0.088 0.000 1.286 197 S CA -1.014 57.217 58.200 0.051 0.000 1.066 197 S CB 0.805 64.047 63.200 0.070 0.000 0.884 197 S HN 0.377 nan 8.310 nan 0.000 0.491 198 P HA -0.141 nan 4.420 nan 0.000 0.216 198 P C 1.652 179.040 177.300 0.147 0.000 1.153 198 P CA 0.717 63.857 63.100 0.066 0.000 0.848 198 P CB 0.012 31.696 31.700 -0.025 0.000 0.787 199 Q N 0.288 120.141 119.800 0.088 0.000 2.050 199 Q HA -0.115 4.212 4.340 -0.022 0.000 0.202 199 Q C 1.980 178.055 176.000 0.125 0.000 0.980 199 Q CA 1.761 57.621 55.803 0.095 0.000 0.840 199 Q CB -0.853 27.913 28.738 0.047 0.000 0.898 199 Q HN 0.060 nan 8.270 nan 0.000 0.424 200 V N 1.136 121.121 119.914 0.118 0.000 2.407 200 V HA -0.229 3.878 4.120 -0.022 0.000 0.248 200 V C 2.218 178.388 176.094 0.126 0.000 1.055 200 V CA 1.865 64.230 62.300 0.108 0.000 1.049 200 V CB -0.933 30.955 31.823 0.109 0.000 0.662 200 V HN 0.335 nan 8.190 nan 0.000 0.455 201 F N 0.139 120.136 119.950 0.078 0.000 2.075 201 F HA -0.265 4.250 4.527 -0.021 0.000 0.297 201 F C 2.344 178.171 175.800 0.045 0.000 1.113 201 F CA 2.187 60.242 58.000 0.091 0.000 1.218 201 F CB -0.525 38.540 39.000 0.109 0.000 0.984 201 F HN 0.196 nan 8.300 nan 0.000 0.472 202 Y N 0.933 121.258 120.300 0.042 0.000 2.200 202 Y HA -0.204 4.333 4.550 -0.022 0.000 0.290 202 Y C 2.140 177.923 175.900 -0.196 0.000 1.137 202 Y CA 2.129 60.152 58.100 -0.128 0.000 1.163 202 Y CB -0.452 37.959 38.460 -0.083 0.000 0.988 202 Y HN 0.083 nan 8.280 nan 0.000 0.518 203 D N -0.820 119.576 120.400 -0.008 0.000 2.213 203 D HA -0.075 4.552 4.640 -0.022 0.000 0.205 203 D C 1.711 177.928 176.300 -0.137 0.000 0.961 203 D CA 1.110 55.077 54.000 -0.055 0.000 0.853 203 D CB 0.130 40.955 40.800 0.042 0.000 0.967 203 D HN 0.447 nan 8.370 nan 0.000 0.496 204 E N -0.506 119.624 120.200 -0.118 0.000 2.364 204 E HA 0.175 4.512 4.350 -0.022 0.000 0.203 204 E C 2.204 178.768 176.600 -0.061 0.000 0.888 204 E CA 0.065 56.431 56.400 -0.057 0.000 0.989 204 E CB 0.700 30.409 29.700 0.015 0.000 0.985 204 E HN 0.241 nan 8.360 nan 0.000 0.499 205 L N 0.320 121.404 121.223 -0.232 0.000 2.262 205 L HA 0.216 4.543 4.340 -0.022 0.000 0.197 205 L C 2.716 179.153 176.870 -0.722 0.000 1.073 205 L CA 0.217 54.860 54.840 -0.329 0.000 0.800 205 L CB -0.393 41.544 42.059 -0.204 0.000 0.987 205 L HN -0.023 nan 8.230 nan 0.000 0.470 206 R N 1.106 121.082 120.500 -0.873 0.000 2.140 206 R HA -0.199 4.128 4.340 -0.022 0.000 0.250 206 R C -0.544 175.392 176.300 -0.607 0.000 1.150 206 R CA 2.054 57.721 56.100 -0.720 0.000 0.966 206 R CB -1.255 28.591 30.300 -0.757 0.000 0.869 206 R HN 0.220 nan 8.270 nan 0.000 0.445 207 P HA -0.132 nan 4.420 nan 0.000 0.223 207 P C 0.365 177.196 177.300 -0.782 0.000 1.144 207 P CA 1.241 63.961 63.100 -0.634 0.000 0.783 207 P CB -0.092 31.201 31.700 -0.679 0.000 0.771 208 F N -3.331 116.114 119.950 -0.842 0.000 2.797 208 F HA 0.079 4.593 4.527 -0.022 0.000 0.302 208 F C 1.104 176.423 175.800 -0.802 0.000 1.130 208 F CA 0.519 57.950 58.000 -0.949 0.000 1.387 208 F CB -0.578 37.635 39.000 -1.311 0.000 1.107 208 F HN 0.005 nan 8.300 nan 0.000 0.577 209 Y N -0.714 119.458 120.300 -0.212 0.000 2.720 209 Y HA 0.217 4.755 4.550 -0.021 0.000 0.277 209 Y C 0.680 176.538 175.900 -0.071 0.000 1.144 209 Y CA -0.969 57.057 58.100 -0.123 0.000 1.221 209 Y CB -0.187 38.239 38.460 -0.057 0.000 1.163 209 Y HN -0.184 nan 8.280 nan 0.000 0.537 210 E N 2.021 122.215 120.200 -0.009 0.000 2.374 210 E HA 0.168 4.505 4.350 -0.022 0.000 0.260 210 E C -2.354 174.271 176.600 0.042 0.000 1.101 210 E CA -1.814 54.584 56.400 -0.004 0.000 0.907 210 E CB 0.408 30.063 29.700 -0.074 0.000 1.014 210 E HN 0.083 nan 8.360 nan 0.000 0.427 211 P HA 0.199 nan 4.420 nan 0.000 0.274 211 P C -0.300 177.046 177.300 0.076 0.000 1.237 211 P CA -0.015 63.130 63.100 0.074 0.000 0.793 211 P CB 0.401 32.132 31.700 0.050 0.000 0.977 212 I N -2.054 118.590 120.570 0.123 0.000 2.892 212 I HA 0.629 4.786 4.170 -0.022 0.000 0.306 212 I C -0.589 175.616 176.117 0.147 0.000 1.078 212 I CA -1.520 59.853 61.300 0.122 0.000 1.032 212 I CB 2.605 40.685 38.000 0.134 0.000 1.229 212 I HN 0.058 nan 8.210 nan 0.000 0.435 213 R N 2.989 123.559 120.500 0.116 0.000 2.255 213 R HA 0.711 5.038 4.340 -0.022 0.000 0.326 213 R C -1.234 175.156 176.300 0.150 0.000 0.986 213 R CA -0.777 55.390 56.100 0.112 0.000 0.847 213 R CB 2.152 32.487 30.300 0.058 0.000 1.111 213 R HN 0.573 nan 8.270 nan 0.000 0.452 214 V N 2.028 122.080 119.914 0.230 0.000 2.686 214 V HA 0.526 4.633 4.120 -0.022 0.000 0.306 214 V C 0.495 176.725 176.094 0.227 0.000 1.065 214 V CA 0.267 62.691 62.300 0.207 0.000 0.894 214 V CB 1.710 33.640 31.823 0.180 0.000 1.004 214 V HN 1.000 nan 8.190 nan 0.000 0.424 215 G N 4.333 113.211 108.800 0.129 0.000 2.249 215 G HA2 0.034 3.981 3.960 -0.022 0.000 0.273 215 G HA3 0.034 3.981 3.960 -0.022 0.000 0.273 215 G C 1.373 176.320 174.900 0.079 0.000 1.036 215 G CA 0.912 46.075 45.100 0.105 0.000 0.824 215 G HN 2.651 nan 8.290 nan 0.000 0.504 216 G N -1.704 107.131 108.800 0.057 0.000 2.143 216 G HA2 0.051 3.998 3.960 -0.022 0.000 0.248 216 G HA3 0.051 3.998 3.960 -0.022 0.000 0.248 216 G C 0.197 175.088 174.900 -0.015 0.000 0.991 216 G CA 1.474 46.586 45.100 0.021 0.000 0.689 216 G HN 2.138 nan 8.290 nan 0.000 0.522 217 Q N -1.474 118.304 119.800 -0.036 0.000 2.626 217 Q HA 0.765 5.092 4.340 -0.022 0.000 0.300 217 Q C -0.850 175.011 176.000 -0.232 0.000 0.988 217 Q CA -0.824 54.881 55.803 -0.164 0.000 0.761 217 Q CB 1.103 29.681 28.738 -0.267 0.000 1.494 217 Q HN 0.209 nan 8.270 nan 0.000 0.439 218 S N 0.578 116.098 115.700 -0.300 0.000 2.480 218 S HA 0.519 4.976 4.470 -0.022 0.000 0.286 218 S C -1.502 172.880 174.600 -0.364 0.000 1.180 218 S CA -0.394 57.683 58.200 -0.204 0.000 1.075 218 S CB 0.182 63.322 63.200 -0.100 0.000 0.996 218 S HN 0.385 nan 8.310 nan 0.000 0.487 219 Y N 1.986 122.343 120.300 0.096 0.000 2.341 219 Y HA 0.428 4.965 4.550 -0.022 0.000 0.338 219 Y C 0.290 176.296 175.900 0.176 0.000 0.965 219 Y CA -0.916 57.299 58.100 0.191 0.000 1.108 219 Y CB 0.671 39.239 38.460 0.181 0.000 1.180 219 Y HN 0.464 nan 8.280 nan 0.000 0.458 220 L N 2.869 124.270 121.223 0.297 0.000 2.483 220 L HA 0.268 4.595 4.340 -0.022 0.000 0.275 220 L C 1.191 178.113 176.870 0.086 0.000 1.220 220 L CA -0.059 54.819 54.840 0.063 0.000 0.833 220 L CB 0.244 42.197 42.059 -0.176 0.000 1.102 220 L HN 0.840 nan 8.230 nan 0.000 0.490 221 G N 1.386 110.236 108.800 0.082 0.000 2.599 221 G HA2 0.398 4.345 3.960 -0.022 0.000 0.264 221 G HA3 0.398 4.345 3.960 -0.022 0.000 0.264 221 G C -2.467 172.467 174.900 0.057 0.000 1.200 221 G CA -0.941 44.230 45.100 0.118 0.000 0.896 221 G HN 0.424 nan 8.290 nan 0.000 0.536 222 P HA 0.385 nan 4.420 nan 0.000 0.271 222 P C 0.027 177.220 177.300 -0.177 0.000 1.218 222 P CA 0.090 63.178 63.100 -0.020 0.000 0.780 222 P CB 1.476 33.194 31.700 0.031 0.000 0.901 223 G N -0.056 108.663 108.800 -0.135 0.000 2.616 223 G HA2 0.411 4.358 3.960 -0.022 0.000 0.294 223 G HA3 0.411 4.358 3.960 -0.022 0.000 0.294 223 G C 0.400 175.251 174.900 -0.082 0.000 1.489 223 G CA -0.065 44.952 45.100 -0.138 0.000 0.836 223 G HN 0.344 nan 8.290 nan 0.000 0.527 224 A N 0.602 123.397 122.820 -0.041 0.000 2.125 224 A HA 0.103 4.410 4.320 -0.022 0.000 0.219 224 A C 2.448 180.006 177.584 -0.044 0.000 1.156 224 A CA 2.043 54.067 52.037 -0.022 0.000 0.671 224 A CB -0.308 18.716 19.000 0.040 0.000 0.794 224 A HN 1.567 nan 8.150 nan 0.000 0.459 225 V N 0.337 120.200 119.914 -0.085 0.000 2.568 225 V HA -0.254 3.853 4.120 -0.022 0.000 0.253 225 V C 1.917 177.834 176.094 -0.295 0.000 1.072 225 V CA 2.563 64.729 62.300 -0.222 0.000 1.084 225 V CB -0.564 31.020 31.823 -0.398 0.000 0.676 225 V HN 0.742 nan 8.190 nan 0.000 0.469 226 E N -0.509 119.595 120.200 -0.159 0.000 2.482 226 E HA 0.047 4.384 4.350 -0.022 0.000 0.196 226 E C 0.779 177.424 176.600 0.074 0.000 1.047 226 E CA -0.178 56.229 56.400 0.012 0.000 0.869 226 E CB -0.036 29.694 29.700 0.050 0.000 0.836 226 E HN 0.582 nan 8.360 nan 0.000 0.520 227 M N 2.398 121.995 119.600 -0.005 0.000 2.248 227 M HA 0.007 4.474 4.480 -0.022 0.000 0.345 227 M C -1.720 174.530 176.300 -0.083 0.000 1.243 227 M CA -1.109 54.150 55.300 -0.069 0.000 1.090 227 M CB 0.321 32.850 32.600 -0.119 0.000 1.683 227 M HN -0.196 nan 8.290 nan 0.000 0.450 228 P HA -0.046 nan 4.420 nan 0.000 0.269 228 P C 0.879 177.845 177.300 -0.557 0.000 1.461 228 P CA 0.280 63.049 63.100 -0.552 0.000 0.809 228 P CB -0.214 31.094 31.700 -0.654 0.000 1.503 229 L N 0.741 121.781 121.223 -0.305 0.000 2.079 229 L HA -0.172 4.155 4.340 -0.022 0.000 0.210 229 L C 2.208 179.014 176.870 -0.108 0.000 1.081 229 L CA 1.916 56.629 54.840 -0.212 0.000 0.752 229 L CB -1.516 40.449 42.059 -0.157 0.000 0.896 229 L HN 0.009 nan 8.230 nan 0.000 0.433 230 F N -2.436 117.500 119.950 -0.023 0.000 2.269 230 F HA -0.079 4.434 4.527 -0.023 0.000 0.301 230 F C 1.876 177.684 175.800 0.014 0.000 1.082 230 F CA 1.322 59.351 58.000 0.048 0.000 1.360 230 F CB -1.568 37.438 39.000 0.010 0.000 1.041 230 F HN -0.098 nan 8.300 nan 0.000 0.512 231 V N 1.374 120.856 119.914 -0.720 0.000 2.323 231 V HA -0.241 3.866 4.120 -0.022 0.000 0.244 231 V C 2.584 178.545 176.094 -0.222 0.000 1.041 231 V CA 1.730 63.790 62.300 -0.400 0.000 1.025 231 V CB -0.719 30.784 31.823 -0.534 0.000 0.656 231 V HN 0.569 nan 8.190 nan 0.000 0.451 232 L N 0.026 121.067 121.223 -0.303 0.000 2.012 232 L HA -0.241 4.086 4.340 -0.022 0.000 0.210 232 L C 2.538 179.291 176.870 -0.196 0.000 1.073 232 L CA 2.039 56.726 54.840 -0.255 0.000 0.748 232 L CB -0.290 41.611 42.059 -0.263 0.000 0.891 232 L HN 0.365 nan 8.230 nan 0.000 0.431 233 E N -1.649 118.457 120.200 -0.158 0.000 2.216 233 E HA -0.247 4.090 4.350 -0.022 0.000 0.192 233 E C 1.864 178.192 176.600 -0.453 0.000 0.988 233 E CA 0.797 57.022 56.400 -0.291 0.000 0.834 233 E CB -0.064 29.527 29.700 -0.183 0.000 0.772 233 E HN 0.610 nan 8.360 nan 0.000 0.479 234 H N 0.655 119.555 119.070 -0.283 0.000 2.290 234 H HA -0.133 4.410 4.556 -0.021 0.000 0.298 234 H C 1.925 177.109 175.328 -0.241 0.000 1.087 234 H CA 1.964 57.877 56.048 -0.224 0.000 1.291 234 H CB -0.169 29.514 29.762 -0.131 0.000 1.369 234 H HN -0.066 nan 8.280 nan 0.000 0.492 235 V N 0.333 120.074 119.914 -0.289 0.000 2.295 235 V HA -0.205 3.902 4.120 -0.022 0.000 0.246 235 V C 2.599 178.574 176.094 -0.198 0.000 1.049 235 V CA 1.622 63.647 62.300 -0.460 0.000 1.024 235 V CB -0.805 30.585 31.823 -0.721 0.000 0.648 235 V HN 0.378 nan 8.190 nan 0.000 0.447 236 L N 0.429 121.570 121.223 -0.137 0.000 2.005 236 L HA -0.113 4.214 4.340 -0.022 0.000 0.207 236 L C 2.015 179.047 176.870 0.270 0.000 1.072 236 L CA 2.417 57.288 54.840 0.051 0.000 0.744 236 L CB -0.480 41.602 42.059 0.038 0.000 0.895 236 L HN 0.712 nan 8.230 nan 0.000 0.433 237 W N -3.869 117.519 121.300 0.146 0.000 2.396 237 W HA 0.450 5.101 4.660 -0.014 0.000 0.216 237 W C 1.236 177.855 176.519 0.166 0.000 0.949 237 W CA 0.395 57.863 57.345 0.204 0.000 1.168 237 W CB -0.432 29.233 29.460 0.341 0.000 0.829 237 W HN 0.128 nan 8.180 nan 0.000 0.663 238 G N 1.864 110.512 108.800 -0.253 0.000 2.986 238 G HA2 -0.031 3.916 3.960 -0.022 0.000 0.213 238 G HA3 -0.031 3.916 3.960 -0.022 0.000 0.213 238 G C 1.490 176.439 174.900 0.083 0.000 1.156 238 G CA 0.977 46.028 45.100 -0.083 0.000 0.763 238 G HN 0.188 nan 8.290 nan 0.000 0.547 239 S N 0.079 115.655 115.700 -0.207 0.000 2.399 239 S HA -0.119 4.338 4.470 -0.022 0.000 0.231 239 S C 1.773 176.335 174.600 -0.064 0.000 1.022 239 S CA 1.079 59.012 58.200 -0.445 0.000 0.983 239 S CB -0.128 62.681 63.200 -0.652 0.000 0.803 239 S HN 0.407 nan 8.310 nan 0.000 0.480 240 Q N 0.945 120.775 119.800 0.050 0.000 2.188 240 Q HA 0.324 4.651 4.340 -0.022 0.000 0.212 240 Q C -0.086 176.008 176.000 0.157 0.000 0.846 240 Q CA -0.286 55.577 55.803 0.100 0.000 0.989 240 Q CB 0.676 29.470 28.738 0.094 0.000 1.114 240 Q HN 0.527 nan 8.270 nan 0.000 0.488 241 S N 1.698 117.537 115.700 0.232 0.000 2.533 241 S HA -0.027 4.430 4.470 -0.022 0.000 0.282 241 S C 0.634 175.381 174.600 0.245 0.000 1.304 241 S CA -0.317 58.056 58.200 0.288 0.000 1.063 241 S CB 0.550 64.032 63.200 0.470 0.000 0.881 241 S HN 0.339 nan 8.310 nan 0.000 0.493 242 D N 2.384 122.901 120.400 0.194 0.000 2.340 242 D HA 0.023 4.650 4.640 -0.022 0.000 0.220 242 D C 0.111 176.514 176.300 0.172 0.000 1.039 242 D CA -0.118 53.977 54.000 0.158 0.000 0.866 242 D CB -0.251 40.617 40.800 0.114 0.000 0.913 242 D HN 0.458 nan 8.370 nan 0.000 0.523 243 D N 1.151 121.689 120.400 0.230 0.000 2.349 243 D HA -0.051 4.576 4.640 -0.022 0.000 0.266 243 D C 1.040 177.492 176.300 0.254 0.000 1.293 243 D CA 0.043 54.187 54.000 0.239 0.000 0.926 243 D CB 1.233 42.200 40.800 0.277 0.000 1.090 243 D HN -0.077 nan 8.370 nan 0.000 0.502 244 Q N 2.348 122.253 119.800 0.175 0.000 2.079 244 Q HA -0.115 4.212 4.340 -0.022 0.000 0.200 244 Q C 1.616 177.707 176.000 0.153 0.000 0.974 244 Q CA 1.730 57.619 55.803 0.142 0.000 0.840 244 Q CB -0.194 28.605 28.738 0.101 0.000 0.898 244 Q HN 0.507 nan 8.270 nan 0.000 0.430 245 T N -0.146 114.509 114.554 0.168 0.000 2.746 245 T HA -0.177 4.160 4.350 -0.022 0.000 0.267 245 T C 1.298 176.155 174.700 0.262 0.000 1.039 245 T CA 1.452 63.657 62.100 0.175 0.000 1.142 245 T CB -0.580 68.376 68.868 0.148 0.000 0.866 245 T HN 0.439 nan 8.240 nan 0.000 0.444 246 Y N 2.138 122.546 120.300 0.181 0.000 2.200 246 Y HA -0.015 4.526 4.550 -0.014 0.000 0.290 246 Y C 2.610 178.683 175.900 0.289 0.000 1.137 246 Y CA 1.100 59.355 58.100 0.259 0.000 1.163 246 Y CB -0.368 38.242 38.460 0.250 0.000 0.988 246 Y HN -0.038 nan 8.280 nan 0.000 0.518 247 R N 0.440 120.973 120.500 0.055 0.000 2.081 247 R HA -0.183 4.144 4.340 -0.022 0.000 0.235 247 R C 2.155 178.440 176.300 -0.026 0.000 1.131 247 R CA 2.040 58.114 56.100 -0.042 0.000 0.960 247 R CB -0.233 30.105 30.300 0.063 0.000 0.856 247 R HN 0.505 nan 8.270 nan 0.000 0.436 248 E N -0.367 119.860 120.200 0.044 0.000 2.077 248 E HA -0.233 4.104 4.350 -0.022 0.000 0.193 248 E C 1.743 178.346 176.600 0.005 0.000 0.989 248 E CA 1.472 57.885 56.400 0.022 0.000 0.800 248 E CB -0.294 29.441 29.700 0.059 0.000 0.746 248 E HN 0.319 nan 8.360 nan 0.000 0.452 249 F N 2.302 122.224 119.950 -0.048 0.000 2.065 249 F HA -0.238 4.277 4.527 -0.021 0.000 0.298 249 F C 1.904 177.609 175.800 -0.159 0.000 1.112 249 F CA 1.703 59.686 58.000 -0.028 0.000 1.212 249 F CB -0.102 38.938 39.000 0.067 0.000 0.975 249 F HN -0.214 nan 8.300 nan 0.000 0.476 250 K N 0.143 120.165 120.400 -0.630 0.000 2.057 250 K HA -0.178 4.129 4.320 -0.022 0.000 0.207 250 K C 2.012 178.197 176.600 -0.692 0.000 1.049 250 K CA 1.916 57.675 56.287 -0.880 0.000 0.931 250 K CB -0.372 31.916 32.500 -0.353 0.000 0.714 250 K HN 0.439 nan 8.250 nan 0.000 0.440 251 E N 0.090 120.047 120.200 -0.404 0.000 2.153 251 E HA -0.124 4.213 4.350 -0.022 0.000 0.194 251 E C 1.869 178.282 176.600 -0.312 0.000 0.988 251 E CA 1.196 57.407 56.400 -0.316 0.000 0.811 251 E CB -0.024 29.577 29.700 -0.165 0.000 0.746 251 E HN 0.264 nan 8.360 nan 0.000 0.466 252 T N 0.090 114.420 114.554 -0.374 0.000 2.746 252 T HA -0.148 4.189 4.350 -0.022 0.000 0.267 252 T C 1.132 175.518 174.700 -0.524 0.000 1.039 252 T CA 1.189 63.016 62.100 -0.455 0.000 1.142 252 T CB -0.186 68.340 68.868 -0.569 0.000 0.866 252 T HN 0.240 nan 8.240 nan 0.000 0.444 253 Y N -0.091 119.958 120.300 -0.418 0.000 2.478 253 Y HA 0.351 4.888 4.550 -0.023 0.000 0.261 253 Y C 1.734 177.643 175.900 0.015 0.000 1.127 253 Y CA -0.681 57.257 58.100 -0.271 0.000 1.288 253 Y CB -0.224 37.810 38.460 -0.710 0.000 1.084 253 Y HN 0.046 nan 8.280 nan 0.000 0.530 254 L N 1.691 122.892 121.223 -0.037 0.000 2.021 254 L HA -0.160 4.167 4.340 -0.022 0.000 0.215 254 L C -0.812 176.104 176.870 0.077 0.000 1.074 254 L CA 2.159 57.041 54.840 0.070 0.000 0.760 254 L CB -1.483 40.426 42.059 -0.251 0.000 0.889 254 L HN 0.021 nan 8.230 nan 0.000 0.433 255 P HA -0.169 nan 4.420 nan 0.000 0.221 255 P C 0.804 178.001 177.300 -0.171 0.000 1.145 255 P CA 1.506 64.514 63.100 -0.153 0.000 0.795 255 P CB -0.146 31.350 31.700 -0.340 0.000 0.775 256 Y N -1.362 119.020 120.300 0.136 0.000 2.511 256 Y HA 0.053 4.590 4.550 -0.022 0.000 0.279 256 Y C 1.459 177.454 175.900 0.158 0.000 1.157 256 Y CA -0.388 57.809 58.100 0.161 0.000 1.300 256 Y CB -0.462 38.112 38.460 0.191 0.000 1.052 256 Y HN -0.169 nan 8.280 nan 0.000 0.529 257 V N -1.650 118.430 119.914 0.277 0.000 2.973 257 V HA 0.334 4.441 4.120 -0.022 0.000 0.314 257 V C 0.284 176.485 176.094 0.179 0.000 1.066 257 V CA -1.853 60.580 62.300 0.221 0.000 1.021 257 V CB 1.157 33.091 31.823 0.185 0.000 1.076 257 V HN 0.054 nan 8.190 nan 0.000 0.462 258 L N 2.988 124.321 121.223 0.183 0.000 2.543 258 L HA 0.121 4.448 4.340 -0.022 0.000 0.285 258 L C -1.161 175.697 176.870 -0.021 0.000 1.236 258 L CA -0.751 54.128 54.840 0.066 0.000 0.871 258 L CB 0.218 42.231 42.059 -0.077 0.000 1.121 258 L HN 0.531 nan 8.230 nan 0.000 0.501 259 P HA -0.273 nan 4.420 nan 0.000 0.218 259 P C 1.255 178.503 177.300 -0.086 0.000 1.154 259 P CA 1.873 64.954 63.100 -0.032 0.000 0.872 259 P CB 0.156 31.839 31.700 -0.029 0.000 0.790 260 A N -1.788 120.904 122.820 -0.214 0.000 1.933 260 A HA -0.221 4.086 4.320 -0.022 0.000 0.218 260 A C 1.860 179.344 177.584 -0.166 0.000 1.175 260 A CA 1.537 53.424 52.037 -0.250 0.000 0.628 260 A CB -1.755 17.007 19.000 -0.397 0.000 0.814 260 A HN 0.159 nan 8.150 nan 0.000 0.444 261 Y N -0.046 120.252 120.300 -0.004 0.000 2.395 261 Y HA -0.014 4.524 4.550 -0.021 0.000 0.293 261 Y C 2.471 178.366 175.900 -0.008 0.000 1.123 261 Y CA 0.719 58.797 58.100 -0.036 0.000 1.227 261 Y CB -0.472 37.923 38.460 -0.109 0.000 1.012 261 Y HN 0.276 nan 8.280 nan 0.000 0.552 262 R N -0.008 120.563 120.500 0.118 0.000 2.096 262 R HA -0.077 4.250 4.340 -0.022 0.000 0.235 262 R C 2.394 178.767 176.300 0.123 0.000 1.127 262 R CA 1.166 57.318 56.100 0.088 0.000 0.968 262 R CB -0.611 29.712 30.300 0.039 0.000 0.861 262 R HN 0.303 nan 8.270 nan 0.000 0.440 263 A N 0.963 123.834 122.820 0.086 0.000 1.929 263 A HA -0.046 4.261 4.320 -0.022 0.000 0.216 263 A C 2.398 180.049 177.584 0.112 0.000 1.176 263 A CA 0.884 52.965 52.037 0.072 0.000 0.628 263 A CB -0.383 18.631 19.000 0.023 0.000 0.816 263 A HN 0.080 nan 8.150 nan 0.000 0.444 264 V N -1.280 118.732 119.914 0.164 0.000 2.287 264 V HA -0.308 3.799 4.120 -0.022 0.000 0.248 264 V C 2.316 178.608 176.094 0.330 0.000 1.053 264 V CA 2.237 64.690 62.300 0.254 0.000 1.027 264 V CB -0.981 30.997 31.823 0.258 0.000 0.646 264 V HN 0.718 nan 8.190 nan 0.000 0.447 265 Y N 1.150 121.526 120.300 0.126 0.000 2.128 265 Y HA -0.291 4.246 4.550 -0.022 0.000 0.284 265 Y C 2.399 178.371 175.900 0.119 0.000 1.154 265 Y CA 1.994 60.133 58.100 0.065 0.000 1.149 265 Y CB -0.470 37.921 38.460 -0.115 0.000 0.976 265 Y HN 0.172 nan 8.280 nan 0.000 0.505 266 A N 0.240 123.212 122.820 0.253 0.000 1.933 266 A HA -0.217 4.090 4.320 -0.022 0.000 0.218 266 A C 2.283 179.879 177.584 0.020 0.000 1.175 266 A CA 1.748 53.869 52.037 0.141 0.000 0.628 266 A CB -0.814 18.255 19.000 0.114 0.000 0.814 266 A HN 0.555 nan 8.150 nan 0.000 0.444 267 R N -1.795 118.685 120.500 -0.034 0.000 2.105 267 R HA -0.120 4.207 4.340 -0.022 0.000 0.239 267 R C 1.029 177.060 176.300 -0.449 0.000 1.135 267 R CA 1.887 57.824 56.100 -0.272 0.000 0.967 267 R CB -0.275 29.791 30.300 -0.390 0.000 0.861 267 R HN 0.506 nan 8.270 nan 0.000 0.442 268 F N -0.793 119.088 119.950 -0.115 0.000 2.721 268 F HA 0.233 4.747 4.527 -0.022 0.000 0.301 268 F C 2.051 177.748 175.800 -0.172 0.000 1.096 268 F CA -0.045 57.836 58.000 -0.199 0.000 1.308 268 F CB 0.531 39.352 39.000 -0.299 0.000 1.086 268 F HN -0.068 nan 8.300 nan 0.000 0.587 269 S N 0.075 115.820 115.700 0.075 0.000 2.383 269 S HA -0.151 4.306 4.470 -0.022 0.000 0.229 269 S C 2.227 176.838 174.600 0.018 0.000 1.030 269 S CA 1.458 59.691 58.200 0.054 0.000 1.002 269 S CB -0.668 62.559 63.200 0.045 0.000 0.829 269 S HN 0.476 nan 8.310 nan 0.000 0.467 270 G N 0.991 109.792 108.800 0.003 0.000 3.284 270 G HA2 0.212 4.159 3.960 -0.022 0.000 0.236 270 G HA3 0.212 4.159 3.960 -0.022 0.000 0.236 270 G C -0.010 174.903 174.900 0.022 0.000 1.158 270 G CA -0.317 44.789 45.100 0.011 0.000 0.774 270 G HN 0.361 nan 8.290 nan 0.000 0.545 271 E N 0.654 120.878 120.200 0.039 0.000 2.235 271 E HA 0.313 4.650 4.350 -0.022 0.000 0.265 271 E C -2.726 173.968 176.600 0.157 0.000 0.940 271 E CA -2.125 54.347 56.400 0.122 0.000 0.819 271 E CB 1.848 31.660 29.700 0.187 0.000 1.206 271 E HN -0.070 nan 8.360 nan 0.000 0.409 272 P HA 0.014 nan 4.420 nan 0.000 0.269 272 P C -0.786 176.679 177.300 0.275 0.000 1.215 272 P CA 0.103 63.308 63.100 0.175 0.000 0.780 272 P CB 0.495 32.274 31.700 0.132 0.000 0.898 273 A N 2.473 125.413 122.820 0.201 0.000 2.346 273 A HA 0.115 4.422 4.320 -0.022 0.000 0.252 273 A C 1.549 179.285 177.584 0.253 0.000 1.089 273 A CA -0.334 51.845 52.037 0.238 0.000 0.797 273 A CB -0.566 18.530 19.000 0.160 0.000 1.047 273 A HN 0.749 nan 8.150 nan 0.000 0.494 274 L N 0.889 122.282 121.223 0.283 0.000 2.013 274 L HA -0.200 4.127 4.340 -0.022 0.000 0.212 274 L C 2.311 179.261 176.870 0.133 0.000 1.073 274 L CA 2.117 57.029 54.840 0.119 0.000 0.753 274 L CB -0.260 41.918 42.059 0.199 0.000 0.890 274 L HN 0.871 nan 8.230 nan 0.000 0.432 275 I N -0.306 120.405 120.570 0.235 0.000 2.151 275 I HA -0.386 3.771 4.170 -0.022 0.000 0.243 275 I C 1.982 178.172 176.117 0.123 0.000 1.080 275 I CA 1.950 63.390 61.300 0.233 0.000 1.339 275 I CB -0.264 37.932 38.000 0.327 0.000 1.039 275 I HN 0.420 nan 8.210 nan 0.000 0.409 276 D N 0.453 120.922 120.400 0.114 0.000 2.097 276 D HA -0.230 4.397 4.640 -0.022 0.000 0.195 276 D C 2.197 178.512 176.300 0.025 0.000 0.989 276 D CA 0.967 55.008 54.000 0.070 0.000 0.827 276 D CB -0.462 40.391 40.800 0.087 0.000 0.966 276 D HN 0.332 nan 8.370 nan 0.000 0.456 277 R N 1.250 121.747 120.500 -0.005 0.000 2.073 277 R HA -0.062 4.265 4.340 -0.022 0.000 0.234 277 R C 2.094 178.357 176.300 -0.061 0.000 1.134 277 R CA 1.431 57.493 56.100 -0.063 0.000 0.952 277 R CB -0.532 29.657 30.300 -0.186 0.000 0.850 277 R HN 0.105 nan 8.270 nan 0.000 0.433 278 A N 1.124 123.921 122.820 -0.038 0.000 1.902 278 A HA -0.107 4.200 4.320 -0.022 0.000 0.217 278 A C 2.451 179.983 177.584 -0.087 0.000 1.181 278 A CA 1.194 53.183 52.037 -0.080 0.000 0.623 278 A CB -0.494 18.502 19.000 -0.006 0.000 0.818 278 A HN 0.335 nan 8.150 nan 0.000 0.443 279 L N -0.745 120.457 121.223 -0.035 0.000 2.109 279 L HA -0.144 4.183 4.340 -0.022 0.000 0.207 279 L C 2.028 178.874 176.870 -0.039 0.000 1.086 279 L CA 1.177 55.995 54.840 -0.037 0.000 0.760 279 L CB -0.593 41.455 42.059 -0.018 0.000 0.910 279 L HN 0.264 nan 8.230 nan 0.000 0.437 280 D N -0.050 120.332 120.400 -0.031 0.000 2.117 280 D HA -0.219 4.408 4.640 -0.022 0.000 0.197 280 D C 2.049 178.324 176.300 -0.040 0.000 0.987 280 D CA 1.166 55.149 54.000 -0.028 0.000 0.829 280 D CB 0.098 40.887 40.800 -0.019 0.000 0.961 280 D HN 0.364 nan 8.370 nan 0.000 0.460 281 E N 0.238 120.402 120.200 -0.060 0.000 2.047 281 E HA -0.112 4.225 4.350 -0.022 0.000 0.191 281 E C 2.032 178.588 176.600 -0.074 0.000 0.987 281 E CA 0.859 57.216 56.400 -0.070 0.000 0.799 281 E CB 0.030 29.671 29.700 -0.098 0.000 0.752 281 E HN 0.142 nan 8.360 nan 0.000 0.449 282 A N 1.428 124.193 122.820 -0.092 0.000 1.917 282 A HA -0.222 4.085 4.320 -0.022 0.000 0.219 282 A C 2.168 179.720 177.584 -0.053 0.000 1.182 282 A CA 1.637 53.624 52.037 -0.082 0.000 0.633 282 A CB -0.546 18.400 19.000 -0.090 0.000 0.819 282 A HN 0.181 nan 8.150 nan 0.000 0.448 283 R N -0.904 119.569 120.500 -0.045 0.000 2.115 283 R HA -0.039 4.288 4.340 -0.022 0.000 0.230 283 R C 2.430 178.714 176.300 -0.027 0.000 1.111 283 R CA 1.053 57.134 56.100 -0.032 0.000 0.976 283 R CB -0.360 29.924 30.300 -0.026 0.000 0.870 283 R HN 0.545 nan 8.270 nan 0.000 0.445 284 A N 0.335 123.138 122.820 -0.029 0.000 1.897 284 A HA -0.062 4.245 4.320 -0.022 0.000 0.215 284 A C 2.187 179.758 177.584 -0.022 0.000 1.181 284 A CA 1.086 53.109 52.037 -0.023 0.000 0.620 284 A CB -0.091 18.895 19.000 -0.023 0.000 0.821 284 A HN 0.108 nan 8.150 nan 0.000 0.443 285 V N -1.209 118.689 119.914 -0.027 0.000 2.725 285 V HA 0.391 4.498 4.120 -0.022 0.000 0.247 285 V C 1.286 177.368 176.094 -0.020 0.000 1.058 285 V CA 0.886 63.172 62.300 -0.022 0.000 1.080 285 V CB -1.218 30.590 31.823 -0.026 0.000 0.713 285 V HN 1.217 nan 8.190 nan 0.000 0.465 286 G N -0.619 108.165 108.800 -0.025 0.000 2.617 286 G HA2 -0.132 3.815 3.960 -0.022 0.000 0.686 286 G HA3 -0.132 3.815 3.960 -0.022 0.000 0.686 286 G C 0.173 175.057 174.900 -0.028 0.000 1.214 286 G CA -0.069 45.017 45.100 -0.024 0.000 0.796 286 G HN 0.037 nan 8.290 nan 0.000 0.654 287 T N -0.234 114.304 114.554 -0.027 0.000 3.107 287 T HA 0.101 4.438 4.350 -0.022 0.000 0.249 287 T C 2.242 176.925 174.700 -0.028 0.000 1.096 287 T CA 1.382 63.464 62.100 -0.030 0.000 1.012 287 T CB -0.220 68.631 68.868 -0.028 0.000 0.977 287 T HN 0.514 nan 8.240 nan 0.000 0.527 288 R N 1.184 121.670 120.500 -0.025 0.000 2.115 288 R HA 0.016 4.343 4.340 -0.022 0.000 0.230 288 R C 0.724 177.005 176.300 -0.031 0.000 1.111 288 R CA 0.613 56.698 56.100 -0.025 0.000 0.976 288 R CB 0.001 30.289 30.300 -0.020 0.000 0.870 288 R HN 0.336 nan 8.270 nan 0.000 0.445 289 D N 0.672 121.056 120.400 -0.027 0.000 2.434 289 D HA -0.105 4.522 4.640 -0.022 0.000 0.252 289 D C 0.658 176.926 176.300 -0.054 0.000 1.185 289 D CA 0.249 54.233 54.000 -0.026 0.000 0.886 289 D CB 1.315 42.117 40.800 0.002 0.000 1.148 289 D HN 0.097 nan 8.370 nan 0.000 0.483 290 E N 3.315 123.443 120.200 -0.120 0.000 2.110 290 E HA -0.212 4.125 4.350 -0.022 0.000 0.193 290 E C 1.252 177.747 176.600 -0.174 0.000 0.988 290 E CA 1.681 57.974 56.400 -0.179 0.000 0.804 290 E CB -0.145 29.397 29.700 -0.264 0.000 0.745 290 E HN 0.684 nan 8.360 nan 0.000 0.458 291 H N -1.299 117.767 119.070 -0.007 0.000 2.457 291 H HA 0.009 4.552 4.556 -0.022 0.000 0.294 291 H C 1.965 177.271 175.328 -0.038 0.000 1.064 291 H CA 1.048 57.093 56.048 -0.004 0.000 1.330 291 H CB 0.292 30.055 29.762 0.002 0.000 1.395 291 H HN 0.019 nan 8.280 nan 0.000 0.541 292 V N 0.680 120.616 119.914 0.037 0.000 2.323 292 V HA -0.198 3.909 4.120 -0.022 0.000 0.244 292 V C 2.328 178.396 176.094 -0.044 0.000 1.041 292 V CA 1.564 63.837 62.300 -0.045 0.000 1.025 292 V CB -0.266 31.526 31.823 -0.051 0.000 0.656 292 V HN 0.384 nan 8.190 nan 0.000 0.451 293 R N 0.153 120.636 120.500 -0.027 0.000 2.083 293 R HA -0.150 4.177 4.340 -0.022 0.000 0.237 293 R C 2.426 178.729 176.300 0.006 0.000 1.137 293 R CA 1.626 57.715 56.100 -0.018 0.000 0.951 293 R CB -0.691 29.594 30.300 -0.024 0.000 0.851 293 R HN 0.531 nan 8.270 nan 0.000 0.434 294 A N 0.667 123.499 122.820 0.020 0.000 1.933 294 A HA -0.071 4.236 4.320 -0.022 0.000 0.218 294 A C 2.386 180.033 177.584 0.106 0.000 1.175 294 A CA 1.750 53.823 52.037 0.060 0.000 0.628 294 A CB -0.987 18.057 19.000 0.073 0.000 0.814 294 A HN 0.474 nan 8.150 nan 0.000 0.444 295 G N -0.125 108.734 108.800 0.098 0.000 2.421 295 G HA2 -0.151 3.796 3.960 -0.022 0.000 0.216 295 G HA3 -0.151 3.796 3.960 -0.022 0.000 0.216 295 G C 1.549 176.538 174.900 0.147 0.000 1.171 295 G CA 1.040 46.235 45.100 0.159 0.000 0.775 295 G HN 0.430 nan 8.290 nan 0.000 0.543 296 L N 0.425 121.661 121.223 0.021 0.000 2.093 296 L HA -0.063 4.264 4.340 -0.022 0.000 0.208 296 L C 3.177 180.106 176.870 0.099 0.000 1.085 296 L CA 1.438 56.307 54.840 0.047 0.000 0.755 296 L CB -0.728 41.324 42.059 -0.011 0.000 0.904 296 L HN 0.161 nan 8.230 nan 0.000 0.435 297 T N -0.047 114.556 114.554 0.082 0.000 2.708 297 T HA -0.167 4.170 4.350 -0.022 0.000 0.266 297 T C 2.038 176.803 174.700 0.109 0.000 1.037 297 T CA 1.381 63.528 62.100 0.079 0.000 1.146 297 T CB -0.240 68.662 68.868 0.057 0.000 0.865 297 T HN 0.440 nan 8.240 nan 0.000 0.435 298 A N 1.159 124.060 122.820 0.135 0.000 1.902 298 A HA -0.004 4.303 4.320 -0.022 0.000 0.217 298 A C 2.235 179.917 177.584 0.163 0.000 1.181 298 A CA 1.199 53.319 52.037 0.139 0.000 0.623 298 A CB -0.812 18.280 19.000 0.154 0.000 0.818 298 A HN 0.392 nan 8.150 nan 0.000 0.443 299 L N 0.126 121.495 121.223 0.244 0.000 2.046 299 L HA -0.156 4.171 4.340 -0.022 0.000 0.208 299 L C 2.276 179.339 176.870 0.322 0.000 1.077 299 L CA 2.540 57.557 54.840 0.295 0.000 0.747 299 L CB -0.576 41.730 42.059 0.412 0.000 0.896 299 L HN 0.608 nan 8.230 nan 0.000 0.432 300 E N -0.641 119.710 120.200 0.250 0.000 2.118 300 E HA -0.260 4.077 4.350 -0.022 0.000 0.195 300 E C 2.253 178.976 176.600 0.204 0.000 0.992 300 E CA 1.140 57.677 56.400 0.229 0.000 0.804 300 E CB -0.021 29.748 29.700 0.114 0.000 0.741 300 E HN 0.501 nan 8.360 nan 0.000 0.458 301 R N -0.082 120.501 120.500 0.138 0.000 2.152 301 R HA -0.095 4.232 4.340 -0.022 0.000 0.232 301 R C 2.402 178.741 176.300 0.065 0.000 1.117 301 R CA 1.051 57.205 56.100 0.091 0.000 0.981 301 R CB -0.125 30.215 30.300 0.067 0.000 0.870 301 R HN 0.127 nan 8.270 nan 0.000 0.451 302 V N 0.475 120.419 119.914 0.049 0.000 2.343 302 V HA -0.230 3.877 4.120 -0.022 0.000 0.247 302 V C 1.874 177.880 176.094 -0.145 0.000 1.051 302 V CA 1.762 64.017 62.300 -0.074 0.000 1.036 302 V CB -0.511 31.216 31.823 -0.159 0.000 0.654 302 V HN 0.145 nan 8.190 nan 0.000 0.451 303 F N 0.456 120.412 119.950 0.011 0.000 2.186 303 F HA -0.103 4.420 4.527 -0.008 0.000 0.299 303 F C 2.405 178.177 175.800 -0.046 0.000 1.090 303 F CA 1.869 59.848 58.000 -0.035 0.000 1.307 303 F CB -0.423 38.533 39.000 -0.074 0.000 1.019 303 F HN 0.026 nan 8.300 nan 0.000 0.489 304 K N 0.327 120.810 120.400 0.139 0.000 2.032 304 K HA -0.187 4.120 4.320 -0.022 0.000 0.209 304 K C 2.234 178.859 176.600 0.041 0.000 1.048 304 K CA 1.522 57.853 56.287 0.073 0.000 0.927 304 K CB -0.572 31.969 32.500 0.069 0.000 0.712 304 K HN 0.166 nan 8.250 nan 0.000 0.441 305 V N 1.322 121.256 119.914 0.032 0.000 2.515 305 V HA -0.180 3.927 4.120 -0.022 0.000 0.250 305 V C 2.017 178.142 176.094 0.052 0.000 1.058 305 V CA 1.405 63.723 62.300 0.031 0.000 1.064 305 V CB -0.192 31.639 31.823 0.014 0.000 0.675 305 V HN 0.344 nan 8.190 nan 0.000 0.461 306 L N -0.752 120.489 121.223 0.029 0.000 2.046 306 L HA -0.189 4.138 4.340 -0.022 0.000 0.208 306 L C 2.392 179.321 176.870 0.097 0.000 1.077 306 L CA 1.719 56.608 54.840 0.081 0.000 0.747 306 L CB -0.455 41.626 42.059 0.035 0.000 0.896 306 L HN 0.317 nan 8.230 nan 0.000 0.432 307 L N -0.911 120.305 121.223 -0.013 0.000 2.156 307 L HA -0.139 4.188 4.340 -0.022 0.000 0.208 307 L C 2.612 179.445 176.870 -0.062 0.000 1.095 307 L CA 0.945 55.707 54.840 -0.130 0.000 0.770 307 L CB -0.345 41.569 42.059 -0.242 0.000 0.914 307 L HN 0.157 nan 8.230 nan 0.000 0.439 308 R N -0.997 119.508 120.500 0.009 0.000 2.235 308 R HA -0.115 4.212 4.340 -0.022 0.000 0.213 308 R C 2.058 178.396 176.300 0.062 0.000 1.059 308 R CA 0.960 57.074 56.100 0.024 0.000 0.997 308 R CB -0.120 30.201 30.300 0.037 0.000 0.884 308 R HN 0.275 nan 8.270 nan 0.000 0.462 309 F N 0.891 120.827 119.950 -0.023 0.000 2.147 309 F HA 0.023 4.536 4.527 -0.023 0.000 0.291 309 F C 2.310 178.118 175.800 0.013 0.000 1.093 309 F CA 1.057 59.053 58.000 -0.007 0.000 1.263 309 F CB -0.147 38.838 39.000 -0.024 0.000 1.036 309 F HN -0.294 nan 8.300 nan 0.000 0.481 310 R N 0.420 120.674 120.500 -0.410 0.000 2.075 310 R HA -0.018 4.309 4.340 -0.022 0.000 0.232 310 R C 2.323 178.435 176.300 -0.313 0.000 1.126 310 R CA 1.301 57.081 56.100 -0.534 0.000 0.963 310 R CB -0.603 29.597 30.300 -0.166 0.000 0.858 310 R HN 0.420 nan 8.270 nan 0.000 0.435 311 A N 1.101 123.804 122.820 -0.196 0.000 1.872 311 A HA 0.014 4.321 4.320 -0.022 0.000 0.214 311 A C -0.504 177.005 177.584 -0.125 0.000 1.187 311 A CA 0.759 52.731 52.037 -0.109 0.000 0.614 311 A CB -1.267 17.714 19.000 -0.032 0.000 0.826 311 A HN 0.311 nan 8.150 nan 0.000 0.442 312 P HA -0.188 nan 4.420 nan 0.000 0.218 312 P C 1.501 178.700 177.300 -0.168 0.000 1.149 312 P CA 1.396 64.393 63.100 -0.172 0.000 0.817 312 P CB -0.284 31.325 31.700 -0.151 0.000 0.785 313 H N -0.072 118.806 119.070 -0.320 0.000 2.387 313 H HA -0.110 4.432 4.556 -0.023 0.000 0.299 313 H C 1.808 177.022 175.328 -0.190 0.000 1.090 313 H CA 1.159 57.019 56.048 -0.314 0.000 1.332 313 H CB -0.531 28.825 29.762 -0.677 0.000 1.386 313 H HN -0.033 nan 8.280 nan 0.000 0.516 314 L N 1.637 122.739 121.223 -0.203 0.000 2.046 314 L HA -0.140 4.187 4.340 -0.022 0.000 0.208 314 L C 2.405 179.186 176.870 -0.148 0.000 1.077 314 L CA 1.696 56.437 54.840 -0.166 0.000 0.747 314 L CB -0.472 41.540 42.059 -0.078 0.000 0.896 314 L HN 0.077 nan 8.230 nan 0.000 0.432 315 K N -0.813 119.517 120.400 -0.116 0.000 2.057 315 K HA -0.187 4.120 4.320 -0.022 0.000 0.207 315 K C 2.066 178.680 176.600 0.024 0.000 1.049 315 K CA 1.624 57.881 56.287 -0.051 0.000 0.931 315 K CB -0.532 31.917 32.500 -0.085 0.000 0.714 315 K HN 0.292 nan 8.250 nan 0.000 0.440 316 L N 1.188 122.410 121.223 -0.003 0.000 2.012 316 L HA -0.198 4.129 4.340 -0.022 0.000 0.210 316 L C 2.232 179.062 176.870 -0.067 0.000 1.073 316 L CA 2.026 56.906 54.840 0.067 0.000 0.748 316 L CB -0.576 41.494 42.059 0.018 0.000 0.891 316 L HN 0.121 nan 8.230 nan 0.000 0.431 317 A N -1.002 121.698 122.820 -0.201 0.000 1.898 317 A HA -0.192 4.115 4.320 -0.022 0.000 0.216 317 A C 2.204 179.839 177.584 0.085 0.000 1.181 317 A CA 1.653 53.629 52.037 -0.101 0.000 0.620 317 A CB -0.660 18.182 19.000 -0.263 0.000 0.819 317 A HN 0.599 nan 8.150 nan 0.000 0.442 318 E N -0.823 119.384 120.200 0.012 0.000 2.110 318 E HA -0.184 4.153 4.350 -0.022 0.000 0.193 318 E C 2.285 178.925 176.600 0.067 0.000 0.988 318 E CA 0.995 57.426 56.400 0.051 0.000 0.804 318 E CB -0.128 29.575 29.700 0.006 0.000 0.745 318 E HN 0.567 nan 8.360 nan 0.000 0.458 319 R N 0.474 121.004 120.500 0.050 0.000 2.091 319 R HA -0.162 4.165 4.340 -0.022 0.000 0.238 319 R C 2.202 178.508 176.300 0.009 0.000 1.136 319 R CA 1.385 57.501 56.100 0.025 0.000 0.959 319 R CB -0.169 30.146 30.300 0.026 0.000 0.856 319 R HN 0.139 nan 8.270 nan 0.000 0.437 320 A N -0.274 122.571 122.820 0.041 0.000 1.873 320 A HA -0.156 4.151 4.320 -0.022 0.000 0.215 320 A C 1.755 179.327 177.584 -0.020 0.000 1.186 320 A CA 1.107 53.177 52.037 0.055 0.000 0.616 320 A CB -0.665 18.368 19.000 0.055 0.000 0.823 320 A HN 0.480 nan 8.150 nan 0.000 0.442 321 Y N -0.593 119.727 120.300 0.032 0.000 2.561 321 Y HA 0.032 4.570 4.550 -0.020 0.000 0.291 321 Y C 2.194 177.974 175.900 -0.200 0.000 1.141 321 Y CA 1.142 59.223 58.100 -0.030 0.000 1.303 321 Y CB -0.013 38.500 38.460 0.088 0.000 1.015 321 Y HN 0.407 nan 8.280 nan 0.000 0.547 322 E N -0.087 120.080 120.200 -0.055 0.000 2.347 322 E HA -0.025 4.312 4.350 -0.022 0.000 0.196 322 E C 0.688 177.163 176.600 -0.209 0.000 1.008 322 E CA 0.193 56.534 56.400 -0.098 0.000 0.852 322 E CB 0.025 29.698 29.700 -0.045 0.000 0.783 322 E HN 0.071 nan 8.360 nan 0.000 0.505 337 P HA 0.127 nan 4.420 nan 0.000 0.263 337 P C 1.062 178.314 177.300 -0.079 0.000 1.168 337 P CA 0.511 63.534 63.100 -0.127 0.000 0.759 337 P CB 0.794 32.424 31.700 -0.117 0.000 0.782 338 S N 2.192 117.866 115.700 -0.043 0.000 2.447 338 S HA -0.146 4.311 4.470 -0.022 0.000 0.233 338 S C 1.657 176.239 174.600 -0.030 0.000 1.006 338 S CA 0.698 58.882 58.200 -0.027 0.000 0.957 338 S CB -0.572 62.623 63.200 -0.008 0.000 0.773 338 S HN 0.527 nan 8.310 nan 0.000 0.507 339 M N 0.669 120.247 119.600 -0.038 0.000 2.143 339 M HA -0.171 4.296 4.480 -0.022 0.000 0.258 339 M C 1.646 177.878 176.300 -0.112 0.000 1.071 339 M CA 1.615 56.871 55.300 -0.074 0.000 1.088 339 M CB -0.458 32.090 32.600 -0.087 0.000 1.360 339 M HN 0.403 nan 8.290 nan 0.000 0.404 340 L N -0.840 120.332 121.223 -0.085 0.000 2.027 340 L HA -0.120 4.207 4.340 -0.022 0.000 0.206 340 L C 2.666 179.512 176.870 -0.040 0.000 1.074 340 L CA 1.415 56.218 54.840 -0.061 0.000 0.745 340 L CB -1.326 40.716 42.059 -0.030 0.000 0.898 340 L HN 0.434 nan 8.230 nan 0.000 0.433 341 G N -0.556 108.226 108.800 -0.030 0.000 2.408 341 G HA2 -0.218 3.729 3.960 -0.022 0.000 0.217 341 G HA3 -0.218 3.729 3.960 -0.022 0.000 0.217 341 G C 1.421 176.321 174.900 0.000 0.000 1.150 341 G CA 0.489 45.583 45.100 -0.009 0.000 0.776 341 G HN 0.395 nan 8.290 nan 0.000 0.542 342 E N -0.453 119.743 120.200 -0.008 0.000 2.077 342 E HA -0.078 4.259 4.350 -0.022 0.000 0.193 342 E C 2.347 178.949 176.600 0.003 0.000 0.989 342 E CA 0.590 56.994 56.400 0.006 0.000 0.800 342 E CB -0.138 29.571 29.700 0.016 0.000 0.746 342 E HN 0.319 nan 8.360 nan 0.000 0.452 343 L N 0.918 122.131 121.223 -0.016 0.000 2.056 343 L HA -0.108 4.219 4.340 -0.022 0.000 0.207 343 L C 2.111 178.979 176.870 -0.004 0.000 1.078 343 L CA 1.190 56.034 54.840 0.007 0.000 0.749 343 L CB -0.510 41.534 42.059 -0.025 0.000 0.901 343 L HN 0.139 nan 8.230 nan 0.000 0.433 344 L N -0.798 120.414 121.223 -0.019 0.000 2.012 344 L HA -0.214 4.113 4.340 -0.022 0.000 0.210 344 L C 2.334 179.204 176.870 0.001 0.000 1.073 344 L CA 2.518 57.329 54.840 -0.047 0.000 0.748 344 L CB -1.234 40.826 42.059 0.002 0.000 0.891 344 L HN 0.341 nan 8.230 nan 0.000 0.431 345 T N -0.036 114.557 114.554 0.065 0.000 2.684 345 T HA -0.209 4.128 4.350 -0.022 0.000 0.267 345 T C 2.004 176.698 174.700 -0.010 0.000 1.036 345 T CA 1.873 64.026 62.100 0.088 0.000 1.148 345 T CB -0.428 68.464 68.868 0.040 0.000 0.863 345 T HN 0.319 nan 8.240 nan 0.000 0.436 346 L N 0.787 121.960 121.223 -0.084 0.000 2.079 346 L HA -0.151 4.176 4.340 -0.022 0.000 0.210 346 L C 2.896 179.464 176.870 -0.502 0.000 1.081 346 L CA 1.334 56.046 54.840 -0.214 0.000 0.752 346 L CB -1.096 40.879 42.059 -0.140 0.000 0.896 346 L HN 0.335 nan 8.230 nan 0.000 0.433 347 T N -1.713 112.556 114.554 -0.474 0.000 2.777 347 T HA -0.181 4.156 4.350 -0.022 0.000 0.266 347 T C 1.725 176.178 174.700 -0.412 0.000 1.040 347 T CA 1.169 62.918 62.100 -0.584 0.000 1.141 347 T CB -0.411 68.251 68.868 -0.342 0.000 0.868 347 T HN 0.243 nan 8.240 nan 0.000 0.444 348 Y N 1.558 121.723 120.300 -0.225 0.000 2.165 348 Y HA -0.122 4.413 4.550 -0.025 0.000 0.286 348 Y C 2.864 178.624 175.900 -0.233 0.000 1.155 348 Y CA 0.809 58.799 58.100 -0.183 0.000 1.164 348 Y CB -0.420 37.964 38.460 -0.126 0.000 0.978 348 Y HN 0.209 nan 8.280 nan 0.000 0.513 349 A N 0.023 122.789 122.820 -0.089 0.000 1.933 349 A HA -0.169 4.138 4.320 -0.022 0.000 0.218 349 A C 2.384 179.809 177.584 -0.265 0.000 1.175 349 A CA 1.674 53.623 52.037 -0.147 0.000 0.628 349 A CB -1.178 17.748 19.000 -0.123 0.000 0.814 349 A HN 0.437 nan 8.150 nan 0.000 0.444 350 A N -0.226 122.327 122.820 -0.443 0.000 1.877 350 A HA -0.179 4.128 4.320 -0.022 0.000 0.216 350 A C 2.271 179.343 177.584 -0.853 0.000 1.186 350 A CA 1.758 53.411 52.037 -0.641 0.000 0.620 350 A CB -0.552 17.912 19.000 -0.892 0.000 0.822 350 A HN 0.545 nan 8.150 nan 0.000 0.443 351 R N -0.222 119.809 120.500 -0.782 0.000 2.091 351 R HA -0.121 4.206 4.340 -0.022 0.000 0.238 351 R C 2.298 178.404 176.300 -0.323 0.000 1.136 351 R CA 1.771 57.517 56.100 -0.590 0.000 0.959 351 R CB -0.360 29.814 30.300 -0.210 0.000 0.856 351 R HN 0.474 nan 8.270 nan 0.000 0.437 352 S N 0.377 115.945 115.700 -0.220 0.000 2.374 352 S HA -0.148 4.309 4.470 -0.022 0.000 0.227 352 S C 1.791 176.302 174.600 -0.149 0.000 1.037 352 S CA 1.469 59.585 58.200 -0.140 0.000 1.024 352 S CB -0.198 62.940 63.200 -0.103 0.000 0.861 352 S HN 0.428 nan 8.310 nan 0.000 0.456 353 R N 0.334 120.717 120.500 -0.195 0.000 2.091 353 R HA -0.074 4.253 4.340 -0.022 0.000 0.238 353 R C 2.214 178.428 176.300 -0.143 0.000 1.136 353 R CA 1.451 57.458 56.100 -0.155 0.000 0.959 353 R CB -0.619 29.585 30.300 -0.160 0.000 0.856 353 R HN 0.278 nan 8.270 nan 0.000 0.437 354 V N 0.996 120.788 119.914 -0.203 0.000 2.307 354 V HA -0.227 3.880 4.120 -0.022 0.000 0.245 354 V C 2.266 178.313 176.094 -0.078 0.000 1.045 354 V CA 1.706 63.928 62.300 -0.130 0.000 1.024 354 V CB -0.516 31.221 31.823 -0.144 0.000 0.651 354 V HN 0.308 nan 8.190 nan 0.000 0.449 355 R N 0.522 120.971 120.500 -0.085 0.000 2.096 355 R HA -0.118 4.209 4.340 -0.022 0.000 0.235 355 R C 2.406 178.678 176.300 -0.047 0.000 1.127 355 R CA 1.481 57.550 56.100 -0.051 0.000 0.968 355 R CB -0.627 29.644 30.300 -0.048 0.000 0.861 355 R HN 0.535 nan 8.270 nan 0.000 0.440 356 A N 1.318 124.104 122.820 -0.058 0.000 1.969 356 A HA -0.035 4.272 4.320 -0.022 0.000 0.218 356 A C 2.364 179.923 177.584 -0.041 0.000 1.169 356 A CA 1.453 53.461 52.037 -0.048 0.000 0.635 356 A CB -0.420 18.548 19.000 -0.053 0.000 0.810 356 A HN 0.380 nan 8.150 nan 0.000 0.445 357 A N -0.264 122.529 122.820 -0.045 0.000 1.898 357 A HA 0.019 4.326 4.320 -0.022 0.000 0.216 357 A C 1.995 179.559 177.584 -0.033 0.000 1.181 357 A CA 1.370 53.384 52.037 -0.039 0.000 0.620 357 A CB -0.514 18.461 19.000 -0.043 0.000 0.819 357 A HN 0.449 nan 8.150 nan 0.000 0.442 358 L N -0.432 120.774 121.223 -0.029 0.000 2.552 358 L HA 0.033 4.360 4.340 -0.022 0.000 0.227 358 L C 0.274 177.132 176.870 -0.021 0.000 1.146 358 L CA 0.206 55.032 54.840 -0.022 0.000 0.858 358 L CB -0.179 41.872 42.059 -0.013 0.000 0.969 358 L HN 0.324 nan 8.230 nan 0.000 0.451 359 D N 0.000 120.385 120.400 -0.024 0.000 6.856 359 D HA 0.000 4.627 4.640 -0.022 0.000 0.175 359 D CA 0.000 53.986 54.000 -0.022 0.000 0.868 359 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683