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 2v7k_1_A DATA FIRST_RESID 4 DATA SEQUENCE TLDRVGVFAA THAAVAASDP LQARALVLQL PGLNRNKDVP GIVGLLREFL DATA SEQUENCE PVRGLPSGWG FVEAAAAMRD IGFFLGSLKR HGHEPAEVVP GLEPVLLDLA DATA SEQUENCE RATNLPPRET LLHVTVWNPT AADAQRSYTG LPDEAHLLES VRISMAALEA DATA SEQUENCE AIALTVELFD VSLRSPEFAQ RSDELEAYLQ KMVESIVYAY RFISPQVFYD DATA SEQUENCE ELRPFYEPIR VGGQSYLGPG AVEMPLFVLE HVLWGSQSDD QTYREFKETY DATA SEQUENCE LPYVLPAYRA VYARFSGEPA LIDRALDEAR AVGTRDEHVR AGLTALERVF DATA SEQUENCE KVLLRFRAPH LKLAERAYEV XXXXXXXXXX XXAPSMLGEL LTLTYAARSR DATA SEQUENCE VRAALD 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.666 174.700 -0.057 0.000 1.109 4 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 4 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 5 L N 4.651 125.808 121.223 -0.110 0.000 2.423 5 L HA 0.247 4.600 4.340 0.022 0.000 0.249 5 L C 1.147 178.072 176.870 0.093 0.000 1.276 5 L CA -0.179 54.550 54.840 -0.184 0.000 1.199 5 L CB 0.032 41.821 42.059 -0.450 0.000 1.407 5 L HN 0.439 nan 8.230 nan 0.000 0.410 6 D N -0.107 120.376 120.400 0.139 0.000 2.309 6 D HA -0.215 4.438 4.640 0.022 0.000 0.212 6 D C 1.728 178.125 176.300 0.161 0.000 0.968 6 D CA 1.045 55.119 54.000 0.123 0.000 0.882 6 D CB 0.081 40.929 40.800 0.079 0.000 0.918 6 D HN 0.326 nan 8.370 nan 0.000 0.503 7 R N 0.050 120.716 120.500 0.277 0.000 2.276 7 R HA 0.121 4.474 4.340 0.022 0.000 0.203 7 R C 2.020 178.495 176.300 0.292 0.000 1.017 7 R CA 0.115 56.340 56.100 0.209 0.000 1.010 7 R CB 0.017 30.369 30.300 0.087 0.000 0.900 7 R HN 0.106 nan 8.270 nan 0.000 0.469 8 V N 0.475 120.590 119.914 0.336 0.000 2.407 8 V HA -0.171 3.962 4.120 0.022 0.000 0.248 8 V C 2.363 178.578 176.094 0.201 0.000 1.055 8 V CA 2.138 64.623 62.300 0.310 0.000 1.049 8 V CB -0.700 31.255 31.823 0.220 0.000 0.662 8 V HN 0.526 nan 8.190 nan 0.000 0.455 9 G N -0.555 108.307 108.800 0.103 0.000 2.476 9 G HA2 -0.277 3.696 3.960 0.022 0.000 0.218 9 G HA3 -0.277 3.696 3.960 0.022 0.000 0.218 9 G C 1.809 176.682 174.900 -0.045 0.000 1.164 9 G CA 1.288 46.403 45.100 0.026 0.000 0.768 9 G HN 0.407 nan 8.290 nan 0.000 0.560 10 V N -0.078 119.755 119.914 -0.135 0.000 2.427 10 V HA -0.062 4.071 4.120 0.022 0.000 0.248 10 V C 2.567 178.446 176.094 -0.358 0.000 1.051 10 V CA 1.905 64.033 62.300 -0.287 0.000 1.048 10 V CB -0.466 31.108 31.823 -0.416 0.000 0.666 10 V HN 0.321 nan 8.190 nan 0.000 0.456 11 F N 1.085 120.954 119.950 -0.136 0.000 2.146 11 F HA 0.021 4.561 4.527 0.021 0.000 0.298 11 F C 2.558 178.002 175.800 -0.593 0.000 1.096 11 F CA 1.526 59.356 58.000 -0.283 0.000 1.275 11 F CB -1.324 37.563 39.000 -0.189 0.000 1.008 11 F HN 0.221 nan 8.300 nan 0.000 0.480 12 A N 0.246 122.965 122.820 -0.169 0.000 1.908 12 A HA -0.128 4.205 4.320 0.022 0.000 0.218 12 A C 2.428 179.977 177.584 -0.057 0.000 1.181 12 A CA 1.939 53.907 52.037 -0.115 0.000 0.627 12 A CB -1.333 17.688 19.000 0.036 0.000 0.818 12 A HN 0.323 nan 8.150 nan 0.000 0.445 13 A N -0.283 122.497 122.820 -0.066 0.000 1.902 13 A HA -0.112 4.221 4.320 0.022 0.000 0.217 13 A C 2.468 180.041 177.584 -0.017 0.000 1.181 13 A CA 2.601 54.617 52.037 -0.036 0.000 0.623 13 A CB -1.437 17.526 19.000 -0.062 0.000 0.818 13 A HN 0.813 nan 8.150 nan 0.000 0.443 14 T N -2.270 112.252 114.554 -0.053 0.000 2.746 14 T HA -0.215 4.148 4.350 0.022 0.000 0.267 14 T C 1.668 176.488 174.700 0.201 0.000 1.039 14 T CA 1.713 63.830 62.100 0.027 0.000 1.142 14 T CB -0.895 67.986 68.868 0.021 0.000 0.866 14 T HN 0.720 nan 8.240 nan 0.000 0.444 15 H N 1.561 120.777 119.070 0.244 0.000 2.319 15 H HA 0.141 4.710 4.556 0.022 0.000 0.299 15 H C 2.852 178.319 175.328 0.233 0.000 1.092 15 H CA 0.765 57.038 56.048 0.375 0.000 1.302 15 H CB -0.296 29.651 29.762 0.309 0.000 1.373 15 H HN 0.539 nan 8.280 nan 0.000 0.497 16 A N 1.318 124.289 122.820 0.253 0.000 1.978 16 A HA -0.151 4.182 4.320 0.022 0.000 0.220 16 A C 2.566 180.193 177.584 0.071 0.000 1.170 16 A CA 1.329 53.450 52.037 0.140 0.000 0.636 16 A CB -0.847 18.204 19.000 0.085 0.000 0.810 16 A HN 0.491 nan 8.150 nan 0.000 0.448 17 A N -0.484 122.360 122.820 0.041 0.000 1.902 17 A HA -0.015 4.318 4.320 0.022 0.000 0.217 17 A C 2.209 179.750 177.584 -0.071 0.000 1.181 17 A CA 1.889 53.914 52.037 -0.020 0.000 0.623 17 A CB -0.852 18.128 19.000 -0.033 0.000 0.818 17 A HN 0.437 nan 8.150 nan 0.000 0.443 18 V N -0.279 119.565 119.914 -0.117 0.000 2.379 18 V HA -0.166 3.968 4.120 0.022 0.000 0.245 18 V C 2.998 179.046 176.094 -0.077 0.000 1.044 18 V CA 1.676 63.831 62.300 -0.241 0.000 1.036 18 V CB -1.318 30.094 31.823 -0.685 0.000 0.664 18 V HN 0.585 nan 8.190 nan 0.000 0.453 19 A N 0.220 123.068 122.820 0.046 0.000 1.978 19 A HA -0.071 4.262 4.320 0.022 0.000 0.220 19 A C 2.270 179.864 177.584 0.017 0.000 1.170 19 A CA 1.956 54.039 52.037 0.077 0.000 0.636 19 A CB -0.574 18.501 19.000 0.124 0.000 0.810 19 A HN 0.594 nan 8.150 nan 0.000 0.448 20 A N -1.089 121.727 122.820 -0.006 0.000 2.169 20 A HA 0.313 4.646 4.320 0.022 0.000 0.212 20 A C 1.379 178.931 177.584 -0.053 0.000 1.153 20 A CA 0.806 52.829 52.037 -0.023 0.000 0.756 20 A CB -0.336 18.652 19.000 -0.019 0.000 0.813 20 A HN 0.408 nan 8.150 nan 0.000 0.471 21 S N 0.394 116.045 115.700 -0.082 0.000 2.499 21 S HA 0.394 4.877 4.470 0.022 0.000 0.279 21 S C -0.897 173.628 174.600 -0.124 0.000 1.219 21 S CA -0.465 57.660 58.200 -0.124 0.000 1.062 21 S CB 0.735 63.820 63.200 -0.193 0.000 0.978 21 S HN 0.268 nan 8.310 nan 0.000 0.489 22 D N 4.699 125.028 120.400 -0.118 0.000 2.656 22 D HA 0.349 5.002 4.640 0.022 0.000 0.303 22 D C -1.623 174.620 176.300 -0.095 0.000 1.199 22 D CA -1.654 52.282 54.000 -0.106 0.000 0.797 22 D CB 1.074 41.825 40.800 -0.081 0.000 1.170 22 D HN 0.332 nan 8.370 nan 0.000 0.509 23 P HA -0.014 nan 4.420 nan 0.000 0.223 23 P C 1.209 178.590 177.300 0.136 0.000 1.151 23 P CA 0.362 63.405 63.100 -0.094 0.000 0.787 23 P CB 0.614 31.983 31.700 -0.551 0.000 0.788 24 L N -0.949 120.333 121.223 0.097 0.000 2.628 24 L HA 0.188 4.541 4.340 0.022 0.000 0.229 24 L C 0.459 177.364 176.870 0.058 0.000 1.137 24 L CA -0.023 54.925 54.840 0.179 0.000 0.909 24 L CB -0.699 41.529 42.059 0.283 0.000 1.137 24 L HN -0.078 nan 8.230 nan 0.000 0.470 25 Q N -0.179 119.619 119.800 -0.004 0.000 2.435 25 Q HA -0.265 4.088 4.340 0.022 0.000 0.312 25 Q C 0.945 176.875 176.000 -0.117 0.000 1.333 25 Q CA 0.482 56.261 55.803 -0.040 0.000 0.883 25 Q CB -1.219 27.522 28.738 0.004 0.000 1.170 25 Q HN 0.593 nan 8.270 nan 0.000 0.443 26 A N -0.136 122.541 122.820 -0.238 0.000 2.348 26 A HA 0.074 4.407 4.320 0.022 0.000 0.224 26 A C 1.705 179.085 177.584 -0.340 0.000 1.227 26 A CA 0.468 52.208 52.037 -0.495 0.000 0.885 26 A CB 0.043 18.396 19.000 -1.079 0.000 0.933 26 A HN 0.436 nan 8.150 nan 0.000 0.506 27 R N 0.443 120.823 120.500 -0.201 0.000 2.115 27 R HA -0.216 4.137 4.340 0.022 0.000 0.239 27 R C 2.089 178.315 176.300 -0.124 0.000 1.133 27 R CA 1.992 58.003 56.100 -0.149 0.000 0.935 27 R CB -0.392 29.846 30.300 -0.103 0.000 0.853 27 R HN 0.396 nan 8.270 nan 0.000 0.433 28 A N 0.671 123.434 122.820 -0.094 0.000 2.015 28 A HA -0.067 4.266 4.320 0.022 0.000 0.219 28 A C 2.199 179.759 177.584 -0.041 0.000 1.163 28 A CA 1.074 53.075 52.037 -0.059 0.000 0.646 28 A CB -0.307 18.671 19.000 -0.038 0.000 0.806 28 A HN 0.375 nan 8.150 nan 0.000 0.448 29 L N -0.797 120.393 121.223 -0.054 0.000 2.068 29 L HA -0.091 4.263 4.340 0.022 0.000 0.204 29 L C 2.430 179.352 176.870 0.085 0.000 1.076 29 L CA 0.864 55.720 54.840 0.027 0.000 0.753 29 L CB -0.546 41.529 42.059 0.027 0.000 0.910 29 L HN 0.217 nan 8.230 nan 0.000 0.439 30 V N 0.215 120.124 119.914 -0.008 0.000 2.490 30 V HA -0.258 3.875 4.120 0.022 0.000 0.250 30 V C 2.350 178.384 176.094 -0.099 0.000 1.061 30 V CA 1.320 63.639 62.300 0.032 0.000 1.064 30 V CB -0.520 31.265 31.823 -0.063 0.000 0.670 30 V HN 0.372 nan 8.190 nan 0.000 0.461 31 L N -0.300 120.860 121.223 -0.104 0.000 2.353 31 L HA -0.197 4.156 4.340 0.022 0.000 0.220 31 L C 2.452 179.277 176.870 -0.076 0.000 1.133 31 L CA 1.280 56.050 54.840 -0.116 0.000 0.798 31 L CB -0.458 41.545 42.059 -0.093 0.000 0.922 31 L HN 0.437 nan 8.230 nan 0.000 0.445 32 Q N -0.839 118.947 119.800 -0.023 0.000 2.424 32 Q HA -0.099 4.254 4.340 0.022 0.000 0.204 32 Q C 2.004 178.003 176.000 -0.001 0.000 0.933 32 Q CA 0.212 56.019 55.803 0.007 0.000 0.929 32 Q CB 0.153 28.925 28.738 0.056 0.000 1.037 32 Q HN 0.335 nan 8.270 nan 0.000 0.511 33 L N 1.667 122.855 121.223 -0.058 0.000 2.017 33 L HA -0.077 4.276 4.340 0.022 0.000 0.208 33 L C -0.994 175.825 176.870 -0.085 0.000 1.073 33 L CA 1.953 56.717 54.840 -0.128 0.000 0.745 33 L CB -1.042 40.779 42.059 -0.395 0.000 0.894 33 L HN 0.013 nan 8.230 nan 0.000 0.432 34 P HA -0.152 nan 4.420 nan 0.000 0.216 34 P C 1.637 178.929 177.300 -0.012 0.000 1.154 34 P CA 1.978 65.033 63.100 -0.076 0.000 0.865 34 P CB -0.446 31.194 31.700 -0.101 0.000 0.789 35 G N -0.362 108.432 108.800 -0.009 0.000 2.421 35 G HA2 -0.230 3.743 3.960 0.022 0.000 0.216 35 G HA3 -0.230 3.743 3.960 0.022 0.000 0.216 35 G C 1.486 176.406 174.900 0.033 0.000 1.171 35 G CA 0.616 45.723 45.100 0.012 0.000 0.775 35 G HN 0.229 nan 8.290 nan 0.000 0.543 36 L N 0.352 121.599 121.223 0.040 0.000 2.093 36 L HA -0.064 4.289 4.340 0.022 0.000 0.208 36 L C 2.740 179.656 176.870 0.077 0.000 1.085 36 L CA 0.752 55.624 54.840 0.052 0.000 0.755 36 L CB -0.481 41.621 42.059 0.072 0.000 0.904 36 L HN 0.131 nan 8.230 nan 0.000 0.435 37 N N 0.430 119.215 118.700 0.142 0.000 2.084 37 N HA -0.203 4.550 4.740 0.022 0.000 0.190 37 N C 1.943 177.601 175.510 0.248 0.000 1.030 37 N CA 1.229 54.467 53.050 0.313 0.000 0.849 37 N CB -0.244 38.467 38.487 0.373 0.000 1.012 37 N HN 0.248 nan 8.380 nan 0.000 0.423 38 R N 0.853 121.438 120.500 0.142 0.000 2.105 38 R HA 0.005 4.359 4.340 0.022 0.000 0.239 38 R C 0.909 177.254 176.300 0.075 0.000 1.135 38 R CA 1.214 57.376 56.100 0.104 0.000 0.967 38 R CB 0.023 30.360 30.300 0.060 0.000 0.861 38 R HN 0.200 nan 8.270 nan 0.000 0.442 39 N N 0.920 119.650 118.700 0.049 0.000 2.461 39 N HA -0.039 4.714 4.740 0.022 0.000 0.188 39 N C -0.398 175.102 175.510 -0.017 0.000 1.134 39 N CA 0.531 53.591 53.050 0.018 0.000 0.878 39 N CB 0.266 38.759 38.487 0.010 0.000 0.972 39 N HN 0.152 nan 8.380 nan 0.000 0.456 40 K N 0.631 121.007 120.400 -0.039 0.000 3.071 40 K HA -0.191 4.142 4.320 0.022 0.000 0.262 40 K C -0.724 175.719 176.600 -0.262 0.000 0.977 40 K CA 0.488 56.633 56.287 -0.238 0.000 0.721 40 K CB -1.231 31.220 32.500 -0.083 0.000 1.293 40 K HN 0.173 nan 8.250 nan 0.000 0.475 41 D N 0.817 121.108 120.400 -0.181 0.000 2.522 41 D HA 0.172 4.825 4.640 0.022 0.000 0.218 41 D C 0.996 177.240 176.300 -0.094 0.000 1.149 41 D CA -0.327 53.616 54.000 -0.096 0.000 0.981 41 D CB 0.696 41.478 40.800 -0.030 0.000 1.041 41 D HN -0.029 nan 8.370 nan 0.000 0.518 42 V N 4.541 124.382 119.914 -0.122 0.000 2.295 42 V HA -0.121 4.012 4.120 0.022 0.000 0.246 42 V C -0.651 175.421 176.094 -0.036 0.000 1.049 42 V CA 1.415 63.670 62.300 -0.076 0.000 1.024 42 V CB -1.140 30.629 31.823 -0.090 0.000 0.648 42 V HN 0.463 nan 8.190 nan 0.000 0.447 43 P HA -0.128 nan 4.420 nan 0.000 0.216 43 P C 1.713 179.016 177.300 0.006 0.000 1.150 43 P CA 1.867 64.950 63.100 -0.028 0.000 0.837 43 P CB -0.327 31.355 31.700 -0.030 0.000 0.786 44 G N -0.355 108.455 108.800 0.017 0.000 2.418 44 G HA2 -0.230 3.743 3.960 0.022 0.000 0.217 44 G HA3 -0.230 3.743 3.960 0.022 0.000 0.217 44 G C 1.528 176.491 174.900 0.105 0.000 1.158 44 G CA 0.547 45.676 45.100 0.049 0.000 0.771 44 G HN 0.233 nan 8.290 nan 0.000 0.545 45 I N 0.341 120.988 120.570 0.129 0.000 2.179 45 I HA -0.171 4.012 4.170 0.022 0.000 0.242 45 I C 2.796 179.073 176.117 0.266 0.000 1.088 45 I CA 0.572 62.030 61.300 0.264 0.000 1.357 45 I CB -0.288 37.865 38.000 0.255 0.000 1.051 45 I HN 0.028 nan 8.210 nan 0.000 0.409 46 V N 1.044 121.035 119.914 0.128 0.000 2.287 46 V HA -0.250 3.883 4.120 0.022 0.000 0.248 46 V C 2.602 178.687 176.094 -0.015 0.000 1.053 46 V CA 2.259 64.583 62.300 0.040 0.000 1.027 46 V CB -1.520 30.303 31.823 0.001 0.000 0.646 46 V HN 0.595 nan 8.190 nan 0.000 0.447 47 G N -0.268 108.539 108.800 0.012 0.000 2.440 47 G HA2 -0.269 3.704 3.960 0.022 0.000 0.218 47 G HA3 -0.269 3.704 3.960 0.022 0.000 0.218 47 G C 1.583 176.481 174.900 -0.003 0.000 1.154 47 G CA 1.223 46.322 45.100 -0.002 0.000 0.767 47 G HN 0.440 nan 8.290 nan 0.000 0.552 48 L N 0.082 121.344 121.223 0.066 0.000 2.056 48 L HA 0.108 4.461 4.340 0.022 0.000 0.207 48 L C 2.523 179.336 176.870 -0.094 0.000 1.078 48 L CA 1.479 56.392 54.840 0.121 0.000 0.749 48 L CB -0.596 41.668 42.059 0.343 0.000 0.901 48 L HN 0.194 nan 8.230 nan 0.000 0.433 49 L N -0.103 120.867 121.223 -0.422 0.000 2.042 49 L HA -0.186 4.167 4.340 0.022 0.000 0.210 49 L C 2.589 178.993 176.870 -0.777 0.000 1.076 49 L CA 1.736 55.952 54.840 -1.039 0.000 0.749 49 L CB -0.669 40.841 42.059 -0.914 0.000 0.893 49 L HN 0.261 nan 8.230 nan 0.000 0.432 50 R N -0.369 119.900 120.500 -0.385 0.000 2.237 50 R HA -0.110 4.243 4.340 0.022 0.000 0.219 50 R C 1.903 178.089 176.300 -0.190 0.000 1.080 50 R CA 1.042 56.983 56.100 -0.265 0.000 0.995 50 R CB -0.292 29.918 30.300 -0.151 0.000 0.875 50 R HN 0.583 nan 8.270 nan 0.000 0.462 51 E N 0.055 120.174 120.200 -0.134 0.000 2.268 51 E HA -0.158 4.205 4.350 0.022 0.000 0.195 51 E C 0.932 177.583 176.600 0.085 0.000 0.995 51 E CA 1.169 57.574 56.400 0.008 0.000 0.836 51 E CB 0.115 29.874 29.700 0.099 0.000 0.763 51 E HN 0.484 nan 8.360 nan 0.000 0.491 52 F N -1.663 118.239 119.950 -0.080 0.000 2.871 52 F HA 0.294 4.832 4.527 0.019 0.000 0.344 52 F C 0.164 175.940 175.800 -0.041 0.000 1.078 52 F CA -0.865 57.106 58.000 -0.047 0.000 1.149 52 F CB 0.074 39.056 39.000 -0.031 0.000 1.087 52 F HN -0.228 nan 8.300 nan 0.000 0.557 53 L N 4.894 125.808 121.223 -0.516 0.000 2.462 53 L HA 0.422 4.775 4.340 0.022 0.000 0.272 53 L C -2.352 174.440 176.870 -0.129 0.000 1.166 53 L CA -1.759 52.871 54.840 -0.351 0.000 0.880 53 L CB -0.097 41.718 42.059 -0.406 0.000 1.142 53 L HN -0.098 nan 8.230 nan 0.000 0.473 54 P HA 0.019 nan 4.420 nan 0.000 0.265 54 P C 0.246 177.502 177.300 -0.075 0.000 1.193 54 P CA -0.040 63.029 63.100 -0.052 0.000 0.765 54 P CB 0.628 32.290 31.700 -0.063 0.000 0.823 55 V N 0.489 120.360 119.914 -0.072 0.000 3.556 55 V HA 0.304 4.437 4.120 0.022 0.000 0.287 55 V C 0.862 176.917 176.094 -0.066 0.000 1.422 55 V CA 0.381 62.641 62.300 -0.067 0.000 1.038 55 V CB -0.406 31.381 31.823 -0.060 0.000 0.850 55 V HN 0.343 nan 8.190 nan 0.000 0.437 56 R N 1.630 122.084 120.500 -0.078 0.000 2.748 56 R HA 0.572 4.925 4.340 0.022 0.000 0.395 56 R C 0.870 177.108 176.300 -0.103 0.000 1.128 56 R CA 0.352 56.404 56.100 -0.079 0.000 1.042 56 R CB 0.894 31.150 30.300 -0.074 0.000 1.392 56 R HN 0.655 nan 8.270 nan 0.000 0.582 57 G N 1.133 109.869 108.800 -0.107 0.000 2.741 57 G HA2 -0.278 3.696 3.960 0.022 0.000 0.222 57 G HA3 -0.278 3.696 3.960 0.022 0.000 0.222 57 G C -0.429 174.340 174.900 -0.219 0.000 1.364 57 G CA -0.909 44.113 45.100 -0.129 0.000 0.866 57 G HN 0.159 nan 8.290 nan 0.000 0.555 58 L N 0.982 122.044 121.223 -0.269 0.000 2.326 58 L HA 0.408 4.761 4.340 0.022 0.000 0.278 58 L C -1.649 174.859 176.870 -0.603 0.000 1.092 58 L CA -1.708 52.811 54.840 -0.534 0.000 0.810 58 L CB 0.871 42.703 42.059 -0.378 0.000 1.153 58 L HN 0.347 nan 8.230 nan 0.000 0.439 59 P HA -0.041 nan 4.420 nan 0.000 0.261 59 P C 0.681 177.697 177.300 -0.473 0.000 1.173 59 P CA 0.101 62.786 63.100 -0.691 0.000 0.760 59 P CB 0.654 31.815 31.700 -0.899 0.000 0.783 60 S N 1.914 117.478 115.700 -0.227 0.000 2.419 60 S HA -0.106 4.377 4.470 0.022 0.000 0.233 60 S C 1.977 176.563 174.600 -0.023 0.000 1.016 60 S CA 1.044 59.181 58.200 -0.106 0.000 0.974 60 S CB -1.034 62.124 63.200 -0.069 0.000 0.786 60 S HN 0.563 nan 8.310 nan 0.000 0.492 61 G N -0.108 108.695 108.800 0.005 0.000 2.744 61 G HA2 0.082 4.055 3.960 0.022 0.000 0.211 61 G HA3 0.082 4.055 3.960 0.022 0.000 0.211 61 G C -0.036 175.007 174.900 0.238 0.000 1.143 61 G CA -0.535 44.627 45.100 0.104 0.000 0.788 61 G HN 0.395 nan 8.290 nan 0.000 0.534 62 W N 0.864 122.157 121.300 -0.011 0.000 2.193 62 W HA 0.528 5.200 4.660 0.021 0.000 0.338 62 W C 0.827 177.340 176.519 -0.010 0.000 1.310 62 W CA -0.579 56.756 57.345 -0.017 0.000 1.243 62 W CB 0.580 30.025 29.460 -0.025 0.000 1.165 62 W HN 0.085 nan 8.180 nan 0.000 0.566 63 G N 1.376 110.274 108.800 0.164 0.000 2.971 63 G HA2 0.297 4.270 3.960 0.022 0.000 0.235 63 G HA3 0.297 4.270 3.960 0.022 0.000 0.235 63 G C 0.033 174.972 174.900 0.065 0.000 1.351 63 G CA -0.638 44.529 45.100 0.110 0.000 1.039 63 G HN 0.413 nan 8.290 nan 0.000 0.563 64 F N -0.157 119.758 119.950 -0.058 0.000 2.126 64 F HA -0.157 4.383 4.527 0.022 0.000 0.299 64 F C 2.607 178.276 175.800 -0.218 0.000 1.096 64 F CA 2.110 60.044 58.000 -0.110 0.000 1.255 64 F CB -0.107 38.824 39.000 -0.116 0.000 0.997 64 F HN 0.030 nan 8.300 nan 0.000 0.479 65 V N 0.410 120.280 119.914 -0.074 0.000 2.261 65 V HA -0.307 3.827 4.120 0.022 0.000 0.246 65 V C 2.232 178.064 176.094 -0.437 0.000 1.047 65 V CA 2.366 64.517 62.300 -0.249 0.000 1.015 65 V CB -0.730 31.010 31.823 -0.138 0.000 0.642 65 V HN 0.276 nan 8.190 nan 0.000 0.446 66 E N 0.587 120.506 120.200 -0.468 0.000 2.077 66 E HA -0.132 4.231 4.350 0.022 0.000 0.193 66 E C 2.243 178.313 176.600 -0.884 0.000 0.989 66 E CA 1.472 57.375 56.400 -0.829 0.000 0.800 66 E CB -0.657 28.270 29.700 -1.288 0.000 0.746 66 E HN 0.571 nan 8.360 nan 0.000 0.452 67 A N 0.989 123.486 122.820 -0.539 0.000 1.902 67 A HA -0.100 4.233 4.320 0.022 0.000 0.217 67 A C 2.360 179.754 177.584 -0.317 0.000 1.181 67 A CA 1.900 53.773 52.037 -0.274 0.000 0.623 67 A CB -0.846 18.102 19.000 -0.088 0.000 0.818 67 A HN 0.288 nan 8.150 nan 0.000 0.443 68 A N -0.268 122.221 122.820 -0.552 0.000 1.898 68 A HA 0.221 4.554 4.320 0.022 0.000 0.216 68 A C 2.482 179.968 177.584 -0.164 0.000 1.181 68 A CA 1.899 53.655 52.037 -0.468 0.000 0.620 68 A CB -0.929 17.366 19.000 -1.176 0.000 0.819 68 A HN 1.018 nan 8.150 nan 0.000 0.442 69 A N -0.102 122.543 122.820 -0.292 0.000 1.930 69 A HA 0.193 4.526 4.320 0.022 0.000 0.217 69 A C 2.478 180.018 177.584 -0.072 0.000 1.175 69 A CA 1.938 53.883 52.037 -0.154 0.000 0.627 69 A CB -0.933 17.919 19.000 -0.247 0.000 0.815 69 A HN 0.996 nan 8.150 nan 0.000 0.443 70 A N -0.870 121.850 122.820 -0.167 0.000 1.902 70 A HA -0.117 4.216 4.320 0.022 0.000 0.217 70 A C 2.176 179.833 177.584 0.121 0.000 1.181 70 A CA 2.228 54.265 52.037 0.000 0.000 0.623 70 A CB -0.490 18.522 19.000 0.020 0.000 0.818 70 A HN 0.568 nan 8.150 nan 0.000 0.443 71 M N -0.099 119.552 119.600 0.086 0.000 2.159 71 M HA -0.107 4.386 4.480 0.022 0.000 0.263 71 M C 2.077 178.428 176.300 0.085 0.000 1.063 71 M CA 1.963 57.299 55.300 0.060 0.000 1.110 71 M CB -0.487 32.105 32.600 -0.013 0.000 1.374 71 M HN 0.474 nan 8.290 nan 0.000 0.411 72 R N -0.151 120.496 120.500 0.245 0.000 2.080 72 R HA -0.196 4.157 4.340 0.022 0.000 0.236 72 R C 1.482 177.995 176.300 0.356 0.000 1.137 72 R CA 2.315 58.602 56.100 0.311 0.000 0.943 72 R CB -0.614 29.915 30.300 0.381 0.000 0.846 72 R HN 0.386 nan 8.270 nan 0.000 0.431 73 D N 0.288 120.879 120.400 0.317 0.000 2.123 73 D HA -0.098 4.555 4.640 0.022 0.000 0.200 73 D C 2.020 178.696 176.300 0.626 0.000 0.976 73 D CA 1.190 55.417 54.000 0.379 0.000 0.831 73 D CB -0.164 40.721 40.800 0.143 0.000 0.974 73 D HN 0.336 nan 8.370 nan 0.000 0.469 74 I N 1.093 121.972 120.570 0.515 0.000 2.226 74 I HA -0.162 4.021 4.170 0.022 0.000 0.245 74 I C 2.553 178.919 176.117 0.415 0.000 1.100 74 I CA 1.259 62.805 61.300 0.410 0.000 1.374 74 I CB -0.496 37.616 38.000 0.187 0.000 1.057 74 I HN 0.009 nan 8.210 nan 0.000 0.413 75 G N 0.779 109.736 108.800 0.262 0.000 2.469 75 G HA2 -0.276 3.697 3.960 0.022 0.000 0.219 75 G HA3 -0.276 3.697 3.960 0.022 0.000 0.219 75 G C 1.520 176.483 174.900 0.105 0.000 1.150 75 G CA 0.708 45.869 45.100 0.102 0.000 0.763 75 G HN 0.267 nan 8.290 nan 0.000 0.561 76 F N -0.015 120.001 119.950 0.111 0.000 2.269 76 F HA 0.096 4.635 4.527 0.021 0.000 0.301 76 F C 2.261 178.072 175.800 0.018 0.000 1.082 76 F CA 0.742 58.642 58.000 -0.167 0.000 1.360 76 F CB -0.303 38.431 39.000 -0.442 0.000 1.041 76 F HN 0.097 nan 8.300 nan 0.000 0.512 77 F N -0.346 119.793 119.950 0.315 0.000 2.259 77 F HA -0.138 4.405 4.527 0.027 0.000 0.298 77 F C 2.065 178.009 175.800 0.240 0.000 1.088 77 F CA 0.770 58.931 58.000 0.268 0.000 1.358 77 F CB -0.696 38.421 39.000 0.196 0.000 1.040 77 F HN -0.121 nan 8.300 nan 0.000 0.505 78 L N -0.537 120.907 121.223 0.368 0.000 1.976 78 L HA -0.119 4.234 4.340 0.022 0.000 0.209 78 L C 2.835 179.849 176.870 0.240 0.000 1.071 78 L CA 1.547 56.538 54.840 0.253 0.000 0.746 78 L CB -1.639 40.528 42.059 0.181 0.000 0.890 78 L HN 0.218 nan 8.230 nan 0.000 0.432 79 G N -0.735 108.249 108.800 0.307 0.000 2.450 79 G HA2 -0.226 3.747 3.960 0.022 0.000 0.220 79 G HA3 -0.226 3.747 3.960 0.022 0.000 0.220 79 G C 1.742 176.761 174.900 0.198 0.000 1.130 79 G CA 0.998 46.222 45.100 0.207 0.000 0.760 79 G HN 0.338 nan 8.290 nan 0.000 0.557 80 S N 0.361 116.306 115.700 0.409 0.000 2.355 80 S HA 0.007 4.490 4.470 0.022 0.000 0.222 80 S C 2.307 177.048 174.600 0.235 0.000 1.031 80 S CA 0.803 59.254 58.200 0.418 0.000 0.993 80 S CB -0.257 63.194 63.200 0.419 0.000 0.859 80 S HN 0.309 nan 8.310 nan 0.000 0.453 81 L N 1.128 122.515 121.223 0.274 0.000 2.046 81 L HA -0.120 4.233 4.340 0.022 0.000 0.208 81 L C 2.493 179.464 176.870 0.169 0.000 1.077 81 L CA 1.187 56.193 54.840 0.277 0.000 0.747 81 L CB -0.403 41.807 42.059 0.253 0.000 0.896 81 L HN 0.194 nan 8.230 nan 0.000 0.432 82 K N 0.380 120.823 120.400 0.071 0.000 2.097 82 K HA -0.192 4.141 4.320 0.022 0.000 0.206 82 K C 2.277 178.768 176.600 -0.182 0.000 1.049 82 K CA 1.225 57.495 56.287 -0.028 0.000 0.933 82 K CB -0.257 32.230 32.500 -0.022 0.000 0.717 82 K HN -0.032 nan 8.250 nan 0.000 0.442 83 R N 0.139 120.431 120.500 -0.347 0.000 2.105 83 R HA -0.149 4.204 4.340 0.022 0.000 0.239 83 R C 0.969 176.907 176.300 -0.604 0.000 1.135 83 R CA 1.656 57.336 56.100 -0.699 0.000 0.967 83 R CB -0.435 29.041 30.300 -1.373 0.000 0.861 83 R HN 0.482 nan 8.270 nan 0.000 0.442 84 H N -1.289 117.673 119.070 -0.180 0.000 2.533 84 H HA 0.162 4.726 4.556 0.014 0.000 0.271 84 H C 0.873 176.062 175.328 -0.231 0.000 1.000 84 H CA 0.816 56.799 56.048 -0.108 0.000 1.149 84 H CB 0.382 30.180 29.762 0.061 0.000 1.375 84 H HN 0.524 nan 8.280 nan 0.000 0.582 85 G N 1.202 109.870 108.800 -0.220 0.000 2.130 85 G HA2 -0.193 3.780 3.960 0.022 0.000 0.216 85 G HA3 -0.193 3.780 3.960 0.022 0.000 0.216 85 G C -0.364 174.208 174.900 -0.547 0.000 0.999 85 G CA -0.398 44.480 45.100 -0.370 0.000 0.686 85 G HN 0.489 nan 8.290 nan 0.000 0.515 86 H N 0.245 119.329 119.070 0.025 0.000 2.589 86 H HA 0.367 4.935 4.556 0.019 0.000 0.351 86 H C -0.438 174.913 175.328 0.037 0.000 1.074 86 H CA -0.795 55.275 56.048 0.036 0.000 1.203 86 H CB 1.507 31.302 29.762 0.055 0.000 1.558 86 H HN 0.195 nan 8.280 nan 0.000 0.522 87 E N 3.969 124.253 120.200 0.141 0.000 2.265 87 E HA 0.053 4.416 4.350 0.022 0.000 0.272 87 E C -1.589 175.081 176.600 0.116 0.000 1.067 87 E CA -1.683 54.779 56.400 0.104 0.000 0.900 87 E CB 1.238 30.983 29.700 0.076 0.000 1.017 87 E HN 0.427 nan 8.360 nan 0.000 0.431 88 P HA -0.189 nan 4.420 nan 0.000 0.216 88 P C 1.039 178.383 177.300 0.073 0.000 1.150 88 P CA 1.494 64.659 63.100 0.109 0.000 0.843 88 P CB 0.242 32.016 31.700 0.122 0.000 0.787 89 A N -0.180 122.681 122.820 0.067 0.000 2.067 89 A HA -0.193 4.140 4.320 0.022 0.000 0.219 89 A C 2.061 179.667 177.584 0.037 0.000 1.158 89 A CA 1.414 53.478 52.037 0.047 0.000 0.661 89 A CB -0.997 18.034 19.000 0.051 0.000 0.801 89 A HN 0.220 nan 8.150 nan 0.000 0.452 90 E N -0.581 119.648 120.200 0.048 0.000 2.230 90 E HA -0.039 4.324 4.350 0.022 0.000 0.192 90 E C 1.647 178.263 176.600 0.027 0.000 0.987 90 E CA 1.177 57.601 56.400 0.040 0.000 0.841 90 E CB 0.081 29.814 29.700 0.055 0.000 0.783 90 E HN 0.631 nan 8.360 nan 0.000 0.481 91 V N -2.398 117.531 119.914 0.026 0.000 3.605 91 V HA 0.184 4.317 4.120 0.022 0.000 0.284 91 V C 0.530 176.615 176.094 -0.014 0.000 1.386 91 V CA -0.330 61.966 62.300 -0.006 0.000 1.053 91 V CB 0.722 32.523 31.823 -0.038 0.000 0.857 91 V HN -0.163 nan 8.190 nan 0.000 0.436 92 V N 3.010 122.921 119.914 -0.004 0.000 2.326 92 V HA 0.495 4.628 4.120 0.022 0.000 0.281 92 V C -2.575 173.502 176.094 -0.029 0.000 1.015 92 V CA -1.803 60.482 62.300 -0.025 0.000 0.823 92 V CB 0.903 32.709 31.823 -0.028 0.000 1.009 92 V HN 0.293 nan 8.190 nan 0.000 0.436 93 P HA 0.294 nan 4.420 nan 0.000 0.271 93 P C 1.064 178.340 177.300 -0.041 0.000 1.220 93 P CA 0.924 64.004 63.100 -0.032 0.000 0.768 93 P CB 0.897 32.577 31.700 -0.034 0.000 0.848 94 G N 2.068 110.849 108.800 -0.032 0.000 2.184 94 G HA2 -0.325 3.648 3.960 0.022 0.000 0.264 94 G HA3 -0.325 3.648 3.960 0.022 0.000 0.264 94 G C 0.610 175.486 174.900 -0.040 0.000 0.975 94 G CA 0.366 45.444 45.100 -0.037 0.000 0.642 94 G HN 0.567 nan 8.290 nan 0.000 0.536 95 L N 0.792 121.993 121.223 -0.036 0.000 2.072 95 L HA 0.306 4.659 4.340 0.022 0.000 0.205 95 L C 2.403 179.264 176.870 -0.015 0.000 1.079 95 L CA 2.914 57.734 54.840 -0.034 0.000 0.752 95 L CB -0.478 41.565 42.059 -0.027 0.000 0.906 95 L HN 0.447 nan 8.230 nan 0.000 0.436 96 E N -0.399 119.798 120.200 -0.004 0.000 2.058 96 E HA -0.196 4.167 4.350 0.022 0.000 0.194 96 E C -0.519 176.080 176.600 -0.001 0.000 0.997 96 E CA 1.534 57.937 56.400 0.006 0.000 0.801 96 E CB -0.793 28.917 29.700 0.016 0.000 0.746 96 E HN 0.383 nan 8.360 nan 0.000 0.450 97 P HA -0.154 nan 4.420 nan 0.000 0.216 97 P C 1.414 178.706 177.300 -0.012 0.000 1.150 97 P CA 1.037 64.131 63.100 -0.010 0.000 0.837 97 P CB 0.067 31.757 31.700 -0.017 0.000 0.786 98 V N -0.473 119.431 119.914 -0.016 0.000 2.295 98 V HA -0.232 3.901 4.120 0.022 0.000 0.246 98 V C 2.453 178.550 176.094 0.006 0.000 1.049 98 V CA 1.645 63.940 62.300 -0.008 0.000 1.024 98 V CB -1.276 30.538 31.823 -0.015 0.000 0.648 98 V HN 0.070 nan 8.190 nan 0.000 0.447 99 L N -0.709 120.513 121.223 -0.002 0.000 2.012 99 L HA -0.221 4.132 4.340 0.022 0.000 0.210 99 L C 2.451 179.307 176.870 -0.024 0.000 1.073 99 L CA 1.637 56.469 54.840 -0.013 0.000 0.748 99 L CB -0.615 41.431 42.059 -0.021 0.000 0.891 99 L HN 0.308 nan 8.230 nan 0.000 0.431 100 L N -0.583 120.630 121.223 -0.017 0.000 2.083 100 L HA -0.229 4.124 4.340 0.022 0.000 0.209 100 L C 2.253 179.121 176.870 -0.004 0.000 1.083 100 L CA 1.053 55.884 54.840 -0.014 0.000 0.752 100 L CB -0.624 41.434 42.059 -0.002 0.000 0.899 100 L HN 0.273 nan 8.230 nan 0.000 0.433 101 D N 0.135 120.536 120.400 0.003 0.000 2.117 101 D HA -0.144 4.509 4.640 0.022 0.000 0.197 101 D C 2.382 178.702 176.300 0.033 0.000 0.987 101 D CA 1.190 55.198 54.000 0.013 0.000 0.829 101 D CB -0.129 40.673 40.800 0.004 0.000 0.961 101 D HN 0.258 nan 8.370 nan 0.000 0.460 102 L N 0.469 121.716 121.223 0.039 0.000 2.093 102 L HA -0.079 4.274 4.340 0.022 0.000 0.208 102 L C 2.496 179.379 176.870 0.023 0.000 1.085 102 L CA 0.873 55.745 54.840 0.052 0.000 0.755 102 L CB -0.363 41.730 42.059 0.057 0.000 0.904 102 L HN -0.035 nan 8.230 nan 0.000 0.435 103 A N 0.398 123.217 122.820 -0.002 0.000 1.883 103 A HA -0.269 4.064 4.320 0.022 0.000 0.217 103 A C 2.430 180.026 177.584 0.020 0.000 1.186 103 A CA 1.960 53.990 52.037 -0.012 0.000 0.624 103 A CB -0.606 18.358 19.000 -0.060 0.000 0.822 103 A HN 0.377 nan 8.150 nan 0.000 0.444 104 R N -0.321 120.192 120.500 0.022 0.000 2.083 104 R HA -0.111 4.242 4.340 0.022 0.000 0.237 104 R C 2.179 178.513 176.300 0.056 0.000 1.137 104 R CA 1.618 57.739 56.100 0.035 0.000 0.951 104 R CB -0.430 29.886 30.300 0.027 0.000 0.851 104 R HN 0.415 nan 8.270 nan 0.000 0.434 105 A N -0.299 122.557 122.820 0.060 0.000 2.066 105 A HA -0.089 4.244 4.320 0.022 0.000 0.218 105 A C 1.926 179.568 177.584 0.096 0.000 1.157 105 A CA 1.674 53.758 52.037 0.078 0.000 0.670 105 A CB -0.336 18.716 19.000 0.087 0.000 0.804 105 A HN 0.646 nan 8.150 nan 0.000 0.453 106 T N -5.197 109.405 114.554 0.079 0.000 2.985 106 T HA 0.133 4.496 4.350 0.022 0.000 0.254 106 T C 0.648 175.521 174.700 0.288 0.000 1.021 106 T CA 0.478 62.669 62.100 0.152 0.000 0.957 106 T CB -0.140 68.682 68.868 -0.077 0.000 1.047 106 T HN 0.338 nan 8.240 nan 0.000 0.511 107 N N 0.813 119.610 118.700 0.162 0.000 2.727 107 N HA -0.126 4.627 4.740 0.022 0.000 0.249 107 N C -0.779 174.806 175.510 0.126 0.000 1.048 107 N CA 0.441 53.565 53.050 0.122 0.000 0.714 107 N CB -1.893 36.661 38.487 0.112 0.000 0.959 107 N HN 0.716 nan 8.380 nan 0.000 0.544 108 L N -0.964 120.327 121.223 0.113 0.000 2.277 108 L HA 0.690 5.043 4.340 0.022 0.000 0.254 108 L C -1.909 174.947 176.870 -0.024 0.000 1.044 108 L CA -2.119 52.779 54.840 0.097 0.000 0.842 108 L CB 1.571 43.772 42.059 0.237 0.000 1.422 108 L HN -0.126 nan 8.230 nan 0.000 0.422 109 P HA 0.082 nan 4.420 nan 0.000 0.270 109 P C -2.437 174.658 177.300 -0.342 0.000 1.223 109 P CA -0.954 61.934 63.100 -0.354 0.000 0.785 109 P CB -0.132 31.294 31.700 -0.458 0.000 0.923 110 P HA 0.082 nan 4.420 nan 0.000 0.235 110 P C -0.330 176.814 177.300 -0.261 0.000 1.725 110 P CA 0.402 63.310 63.100 -0.321 0.000 0.894 110 P CB -0.155 31.373 31.700 -0.286 0.000 1.704 111 R N -1.378 118.986 120.500 -0.228 0.000 2.829 111 R HA 0.410 4.763 4.340 0.022 0.000 0.267 111 R C -0.748 175.440 176.300 -0.187 0.000 1.051 111 R CA -0.995 55.029 56.100 -0.126 0.000 0.927 111 R CB 0.457 30.741 30.300 -0.026 0.000 1.292 111 R HN -0.179 nan 8.270 nan 0.000 0.445 112 E N 1.534 121.632 120.200 -0.170 0.000 2.373 112 E HA 0.182 4.545 4.350 0.022 0.000 0.267 112 E C -0.766 175.815 176.600 -0.031 0.000 1.032 112 E CA -0.006 56.216 56.400 -0.297 0.000 0.889 112 E CB 1.312 30.885 29.700 -0.212 0.000 0.984 112 E HN 0.682 nan 8.360 nan 0.000 0.425 113 T N -0.162 114.485 114.554 0.155 0.000 2.883 113 T HA 0.270 4.633 4.350 0.022 0.000 0.284 113 T C 1.095 175.904 174.700 0.181 0.000 1.041 113 T CA -0.623 61.640 62.100 0.273 0.000 1.007 113 T CB 0.898 69.988 68.868 0.371 0.000 1.220 113 T HN 0.349 nan 8.240 nan 0.000 0.552 114 L N 0.572 121.841 121.223 0.077 0.000 2.051 114 L HA -0.035 4.318 4.340 0.022 0.000 0.214 114 L C 2.377 179.166 176.870 -0.135 0.000 1.076 114 L CA 1.764 56.590 54.840 -0.022 0.000 0.758 114 L CB -1.189 40.840 42.059 -0.050 0.000 0.890 114 L HN 0.795 nan 8.230 nan 0.000 0.433 115 L N -1.447 119.592 121.223 -0.306 0.000 2.012 115 L HA -0.295 4.059 4.340 0.022 0.000 0.210 115 L C 2.506 178.990 176.870 -0.642 0.000 1.073 115 L CA 1.718 56.056 54.840 -0.837 0.000 0.748 115 L CB -0.867 40.255 42.059 -1.563 0.000 0.891 115 L HN 0.385 nan 8.230 nan 0.000 0.431 116 H N -1.035 117.927 119.070 -0.179 0.000 2.387 116 H HA -0.142 4.426 4.556 0.021 0.000 0.299 116 H C 2.059 177.468 175.328 0.136 0.000 1.099 116 H CA 1.811 57.964 56.048 0.174 0.000 1.315 116 H CB -0.236 29.625 29.762 0.165 0.000 1.380 116 H HN 0.322 nan 8.280 nan 0.000 0.513 117 V N -1.622 118.384 119.914 0.153 0.000 3.506 117 V HA 0.061 4.194 4.120 0.022 0.000 0.263 117 V C 1.573 177.783 176.094 0.194 0.000 1.203 117 V CA 1.237 63.654 62.300 0.195 0.000 1.133 117 V CB -0.119 31.734 31.823 0.050 0.000 0.802 117 V HN 0.583 nan 8.190 nan 0.000 0.459 118 T N -0.345 114.244 114.554 0.058 0.000 3.422 118 T HA 0.106 4.469 4.350 0.022 0.000 0.192 118 T C 1.694 176.382 174.700 -0.021 0.000 0.857 118 T CA 1.313 63.419 62.100 0.009 0.000 1.400 118 T CB -0.096 68.738 68.868 -0.056 0.000 1.864 118 T HN 0.644 nan 8.240 nan 0.000 0.415 119 V N -2.176 117.635 119.914 -0.173 0.000 2.809 119 V HA 0.125 4.258 4.120 0.022 0.000 0.256 119 V C 1.821 177.976 176.094 0.102 0.000 1.080 119 V CA 0.594 62.798 62.300 -0.160 0.000 1.102 119 V CB -1.237 30.227 31.823 -0.599 0.000 0.705 119 V HN 0.623 nan 8.190 nan 0.000 0.475 120 W N 0.993 122.264 121.300 -0.049 0.000 3.353 120 W HA 0.437 5.109 4.660 0.021 0.000 0.304 120 W C 0.661 177.202 176.519 0.037 0.000 1.273 120 W CA -1.016 56.328 57.345 -0.002 0.000 1.773 120 W CB -1.137 28.294 29.460 -0.049 0.000 1.095 120 W HN 0.337 nan 8.180 nan 0.000 0.676 121 N N 1.731 120.574 118.700 0.238 0.000 2.408 121 N HA 0.269 5.022 4.740 0.022 0.000 0.280 121 N C -2.658 172.913 175.510 0.102 0.000 1.002 121 N CA -2.310 50.845 53.050 0.175 0.000 0.907 121 N CB 1.895 40.499 38.487 0.196 0.000 1.161 121 N HN -0.309 nan 8.380 nan 0.000 0.488 122 P HA 0.077 nan 4.420 nan 0.000 0.269 122 P C 0.483 177.792 177.300 0.015 0.000 1.215 122 P CA 0.007 63.127 63.100 0.033 0.000 0.780 122 P CB 0.447 32.148 31.700 0.003 0.000 0.898 123 T N -2.418 112.145 114.554 0.014 0.000 3.057 123 T HA 0.272 4.635 4.350 0.022 0.000 0.254 123 T C 0.932 175.625 174.700 -0.012 0.000 1.094 123 T CA 0.053 62.155 62.100 0.004 0.000 1.088 123 T CB -0.285 68.590 68.868 0.013 0.000 0.934 123 T HN 0.500 nan 8.240 nan 0.000 0.497 124 A N 1.008 123.818 122.820 -0.016 0.000 2.407 124 A HA 0.767 5.100 4.320 0.022 0.000 0.248 124 A C 1.913 179.475 177.584 -0.037 0.000 1.082 124 A CA 0.034 52.057 52.037 -0.023 0.000 0.785 124 A CB -0.073 18.915 19.000 -0.020 0.000 1.020 124 A HN 0.509 nan 8.150 nan 0.000 0.489 125 A N 1.359 124.157 122.820 -0.036 0.000 1.940 125 A HA -0.155 4.178 4.320 0.022 0.000 0.219 125 A C 1.423 178.975 177.584 -0.053 0.000 1.176 125 A CA 2.006 54.016 52.037 -0.046 0.000 0.631 125 A CB -0.499 18.479 19.000 -0.037 0.000 0.814 125 A HN 0.908 nan 8.150 nan 0.000 0.446 126 D N -1.363 119.009 120.400 -0.045 0.000 2.319 126 D HA 0.393 5.046 4.640 0.022 0.000 0.230 126 D C 0.800 177.064 176.300 -0.059 0.000 1.094 126 D CA 0.897 54.868 54.000 -0.049 0.000 0.856 126 D CB 0.160 40.937 40.800 -0.037 0.000 0.915 126 D HN 0.358 nan 8.370 nan 0.000 0.517 127 A N -0.441 122.339 122.820 -0.066 0.000 2.150 127 A HA 0.088 4.421 4.320 0.022 0.000 0.191 127 A C 0.943 178.467 177.584 -0.099 0.000 1.591 127 A CA -0.260 51.733 52.037 -0.075 0.000 1.142 127 A CB -0.176 18.793 19.000 -0.052 0.000 1.326 127 A HN 0.174 nan 8.150 nan 0.000 0.470 128 Q N 1.298 121.040 119.800 -0.097 0.000 2.255 128 Q HA 0.221 4.575 4.340 0.022 0.000 0.280 128 Q C -0.572 175.291 176.000 -0.228 0.000 1.068 128 Q CA -0.019 55.712 55.803 -0.120 0.000 0.911 128 Q CB 0.340 29.024 28.738 -0.089 0.000 1.157 128 Q HN 0.341 nan 8.270 nan 0.000 0.380 129 R N 1.744 122.042 120.500 -0.337 0.000 2.539 129 R HA 0.398 4.751 4.340 0.022 0.000 0.275 129 R C -0.726 174.992 176.300 -0.971 0.000 1.077 129 R CA 0.091 55.739 56.100 -0.753 0.000 1.097 129 R CB 1.402 31.073 30.300 -1.049 0.000 1.018 129 R HN 0.782 nan 8.270 nan 0.000 0.483 130 S N 0.304 115.367 115.700 -1.063 0.000 2.547 130 S HA 0.297 4.780 4.470 0.022 0.000 0.270 130 S C -0.246 174.052 174.600 -0.503 0.000 1.150 130 S CA -0.872 56.956 58.200 -0.619 0.000 0.850 130 S CB 0.503 63.547 63.200 -0.260 0.000 1.118 130 S HN 0.502 nan 8.310 nan 0.000 0.461 131 Y N 1.491 121.718 120.300 -0.122 0.000 2.184 131 Y HA 0.001 4.560 4.550 0.016 0.000 0.290 131 Y C 3.018 178.563 175.900 -0.591 0.000 1.129 131 Y CA 1.919 59.772 58.100 -0.413 0.000 1.144 131 Y CB -0.310 37.635 38.460 -0.858 0.000 0.995 131 Y HN 0.956 nan 8.280 nan 0.000 0.513 132 T N -5.459 108.906 114.554 -0.315 0.000 2.971 132 T HA 0.368 4.731 4.350 0.022 0.000 0.252 132 T C 1.810 176.433 174.700 -0.128 0.000 1.022 132 T CA 0.459 62.405 62.100 -0.256 0.000 0.980 132 T CB 0.152 68.889 68.868 -0.218 0.000 1.044 132 T HN 0.417 nan 8.240 nan 0.000 0.501 133 G N 1.718 110.442 108.800 -0.127 0.000 2.189 133 G HA2 -0.235 3.738 3.960 0.022 0.000 0.267 133 G HA3 -0.235 3.738 3.960 0.022 0.000 0.267 133 G C -0.001 174.860 174.900 -0.066 0.000 0.975 133 G CA 0.501 45.542 45.100 -0.098 0.000 0.644 133 G HN 0.663 nan 8.290 nan 0.000 0.537 134 L N 0.714 121.908 121.223 -0.049 0.000 2.417 134 L HA 0.277 4.630 4.340 0.022 0.000 0.268 134 L C -0.144 176.701 176.870 -0.043 0.000 1.158 134 L CA -1.703 53.124 54.840 -0.023 0.000 0.819 134 L CB 0.860 42.925 42.059 0.010 0.000 1.112 134 L HN -0.087 nan 8.230 nan 0.000 0.458 135 P HA -0.143 nan 4.420 nan 0.000 0.216 135 P C 0.600 177.767 177.300 -0.221 0.000 1.150 135 P CA 1.194 64.191 63.100 -0.172 0.000 0.837 135 P CB 0.149 31.805 31.700 -0.074 0.000 0.786 136 D N -0.131 120.298 120.400 0.049 0.000 2.149 136 D HA -0.187 4.466 4.640 0.022 0.000 0.198 136 D C 2.045 178.463 176.300 0.197 0.000 0.990 136 D CA 1.060 55.185 54.000 0.209 0.000 0.839 136 D CB -0.491 40.443 40.800 0.222 0.000 0.948 136 D HN 0.367 nan 8.370 nan 0.000 0.460 137 E N 0.286 120.561 120.200 0.125 0.000 2.072 137 E HA -0.152 4.211 4.350 0.022 0.000 0.191 137 E C 2.061 178.733 176.600 0.120 0.000 0.985 137 E CA 0.882 57.382 56.400 0.167 0.000 0.801 137 E CB -0.040 29.736 29.700 0.127 0.000 0.750 137 E HN 0.250 nan 8.360 nan 0.000 0.452 138 A N 1.019 123.830 122.820 -0.015 0.000 1.908 138 A HA -0.216 4.117 4.320 0.022 0.000 0.218 138 A C 1.912 179.514 177.584 0.031 0.000 1.181 138 A CA 1.679 53.681 52.037 -0.058 0.000 0.627 138 A CB -0.842 18.047 19.000 -0.186 0.000 0.818 138 A HN 0.370 nan 8.150 nan 0.000 0.445 139 H N -1.103 118.075 119.070 0.180 0.000 2.389 139 H HA -0.083 4.487 4.556 0.023 0.000 0.299 139 H C 2.051 177.579 175.328 0.333 0.000 1.081 139 H CA 1.595 57.831 56.048 0.313 0.000 1.345 139 H CB -0.659 29.268 29.762 0.274 0.000 1.393 139 H HN 0.408 nan 8.280 nan 0.000 0.520 140 L N 0.947 122.394 121.223 0.374 0.000 2.012 140 L HA -0.145 4.209 4.340 0.022 0.000 0.210 140 L C 2.341 179.344 176.870 0.221 0.000 1.073 140 L CA 1.335 56.358 54.840 0.306 0.000 0.748 140 L CB -0.865 41.391 42.059 0.328 0.000 0.891 140 L HN 0.134 nan 8.230 nan 0.000 0.431 141 L N -0.861 120.475 121.223 0.188 0.000 2.046 141 L HA -0.191 4.162 4.340 0.022 0.000 0.208 141 L C 2.551 179.461 176.870 0.068 0.000 1.077 141 L CA 1.426 56.340 54.840 0.123 0.000 0.747 141 L CB -0.733 41.396 42.059 0.117 0.000 0.896 141 L HN 0.329 nan 8.230 nan 0.000 0.432 142 E N 0.576 120.815 120.200 0.065 0.000 2.085 142 E HA -0.187 4.176 4.350 0.022 0.000 0.194 142 E C 2.164 178.665 176.600 -0.165 0.000 0.994 142 E CA 1.786 58.141 56.400 -0.076 0.000 0.801 142 E CB -0.115 29.506 29.700 -0.132 0.000 0.743 142 E HN 0.262 nan 8.360 nan 0.000 0.453 143 S N -0.699 114.989 115.700 -0.020 0.000 2.370 143 S HA -0.153 4.330 4.470 0.022 0.000 0.226 143 S C 1.971 176.581 174.600 0.018 0.000 1.033 143 S CA 1.303 59.529 58.200 0.043 0.000 1.011 143 S CB -0.308 63.040 63.200 0.248 0.000 0.852 143 S HN 0.199 nan 8.310 nan 0.000 0.457 144 V N 1.625 121.552 119.914 0.021 0.000 2.379 144 V HA -0.075 4.058 4.120 0.022 0.000 0.245 144 V C 2.338 178.409 176.094 -0.039 0.000 1.044 144 V CA 1.378 63.673 62.300 -0.009 0.000 1.036 144 V CB -0.572 31.242 31.823 -0.014 0.000 0.664 144 V HN 0.358 nan 8.190 nan 0.000 0.453 145 R N -0.180 120.296 120.500 -0.041 0.000 2.127 145 R HA -0.105 4.248 4.340 0.022 0.000 0.238 145 R C 2.219 178.501 176.300 -0.030 0.000 1.134 145 R CA 1.486 57.567 56.100 -0.032 0.000 0.975 145 R CB -0.467 29.817 30.300 -0.027 0.000 0.865 145 R HN 0.443 nan 8.270 nan 0.000 0.447 146 I N 0.406 120.935 120.570 -0.068 0.000 2.264 146 I HA -0.293 3.890 4.170 0.022 0.000 0.248 146 I C 2.066 178.168 176.117 -0.024 0.000 1.111 146 I CA 1.802 63.066 61.300 -0.060 0.000 1.382 146 I CB -0.111 37.836 38.000 -0.090 0.000 1.060 146 I HN 0.244 nan 8.210 nan 0.000 0.418 147 S N -1.360 114.324 115.700 -0.028 0.000 2.559 147 S HA 0.088 4.571 4.470 0.022 0.000 0.226 147 S C 1.589 176.160 174.600 -0.049 0.000 1.030 147 S CA -0.326 57.852 58.200 -0.038 0.000 0.956 147 S CB 0.028 63.190 63.200 -0.063 0.000 0.900 147 S HN 0.197 nan 8.310 nan 0.000 0.510 148 M N 3.626 123.203 119.600 -0.038 0.000 2.065 148 M HA 0.126 4.619 4.480 0.022 0.000 0.259 148 M C 2.161 178.468 176.300 0.011 0.000 1.069 148 M CA 2.102 57.373 55.300 -0.048 0.000 1.110 148 M CB -1.100 31.448 32.600 -0.086 0.000 1.328 148 M HN 0.422 nan 8.290 nan 0.000 0.405 149 A N -0.375 122.527 122.820 0.137 0.000 1.902 149 A HA 0.052 4.385 4.320 0.022 0.000 0.217 149 A C 2.378 179.939 177.584 -0.040 0.000 1.181 149 A CA 2.121 54.225 52.037 0.112 0.000 0.623 149 A CB -1.480 17.631 19.000 0.185 0.000 0.818 149 A HN 0.688 nan 8.150 nan 0.000 0.443 150 A N -0.499 122.341 122.820 0.033 0.000 1.933 150 A HA -0.034 4.299 4.320 0.022 0.000 0.218 150 A C 2.129 179.687 177.584 -0.043 0.000 1.175 150 A CA 1.741 53.845 52.037 0.112 0.000 0.628 150 A CB -0.582 18.483 19.000 0.108 0.000 0.814 150 A HN 0.727 nan 8.150 nan 0.000 0.444 151 L N 0.133 121.269 121.223 -0.146 0.000 2.056 151 L HA -0.129 4.224 4.340 0.022 0.000 0.207 151 L C 2.123 178.760 176.870 -0.389 0.000 1.078 151 L CA 2.427 57.120 54.840 -0.246 0.000 0.749 151 L CB -0.736 41.168 42.059 -0.258 0.000 0.901 151 L HN 0.519 nan 8.230 nan 0.000 0.433 152 E N -0.280 119.627 120.200 -0.489 0.000 2.085 152 E HA -0.238 4.125 4.350 0.022 0.000 0.194 152 E C 2.176 178.220 176.600 -0.927 0.000 0.994 152 E CA 1.209 57.153 56.400 -0.760 0.000 0.801 152 E CB -0.348 28.776 29.700 -0.959 0.000 0.743 152 E HN 0.672 nan 8.360 nan 0.000 0.453 153 A N 1.446 123.736 122.820 -0.884 0.000 1.902 153 A HA -0.136 4.197 4.320 0.022 0.000 0.217 153 A C 2.391 179.700 177.584 -0.459 0.000 1.181 153 A CA 1.711 53.443 52.037 -0.508 0.000 0.623 153 A CB -0.625 18.135 19.000 -0.399 0.000 0.818 153 A HN 0.301 nan 8.150 nan 0.000 0.443 154 A N -0.204 122.372 122.820 -0.408 0.000 1.933 154 A HA -0.054 4.279 4.320 0.022 0.000 0.218 154 A C 2.089 179.505 177.584 -0.279 0.000 1.175 154 A CA 1.443 53.298 52.037 -0.303 0.000 0.628 154 A CB -0.580 18.303 19.000 -0.195 0.000 0.814 154 A HN 0.506 nan 8.150 nan 0.000 0.444 155 I N -0.222 120.152 120.570 -0.326 0.000 2.179 155 I HA -0.292 3.891 4.170 0.022 0.000 0.242 155 I C 2.992 179.001 176.117 -0.180 0.000 1.088 155 I CA 1.086 62.207 61.300 -0.298 0.000 1.357 155 I CB -0.357 37.375 38.000 -0.447 0.000 1.051 155 I HN 0.350 nan 8.210 nan 0.000 0.409 156 A N 0.918 123.663 122.820 -0.125 0.000 1.908 156 A HA -0.194 4.139 4.320 0.022 0.000 0.218 156 A C 2.299 179.835 177.584 -0.080 0.000 1.181 156 A CA 1.608 53.625 52.037 -0.034 0.000 0.627 156 A CB -0.956 18.079 19.000 0.058 0.000 0.818 156 A HN 0.406 nan 8.150 nan 0.000 0.445 157 L N -0.878 120.255 121.223 -0.150 0.000 2.093 157 L HA -0.146 4.207 4.340 0.022 0.000 0.208 157 L C 2.752 179.543 176.870 -0.132 0.000 1.085 157 L CA 1.662 56.411 54.840 -0.150 0.000 0.755 157 L CB -0.821 41.113 42.059 -0.208 0.000 0.904 157 L HN 0.357 nan 8.230 nan 0.000 0.435 158 T N -0.688 113.775 114.554 -0.152 0.000 2.777 158 T HA -0.129 4.234 4.350 0.022 0.000 0.266 158 T C 2.023 176.656 174.700 -0.112 0.000 1.040 158 T CA 1.183 63.194 62.100 -0.148 0.000 1.141 158 T CB -0.172 68.583 68.868 -0.188 0.000 0.868 158 T HN 0.047 nan 8.240 nan 0.000 0.444 159 V N 1.602 121.442 119.914 -0.124 0.000 2.407 159 V HA -0.184 3.949 4.120 0.022 0.000 0.248 159 V C 2.462 178.601 176.094 0.075 0.000 1.055 159 V CA 1.687 63.951 62.300 -0.061 0.000 1.049 159 V CB -0.600 31.223 31.823 0.001 0.000 0.662 159 V HN 0.548 nan 8.190 nan 0.000 0.455 160 E N -0.276 119.941 120.200 0.028 0.000 2.072 160 E HA -0.219 4.144 4.350 0.022 0.000 0.191 160 E C 2.109 178.735 176.600 0.044 0.000 0.985 160 E CA 1.189 57.613 56.400 0.041 0.000 0.801 160 E CB -0.209 29.489 29.700 -0.003 0.000 0.750 160 E HN 0.417 nan 8.360 nan 0.000 0.452 161 L N 0.419 121.630 121.223 -0.020 0.000 2.131 161 L HA -0.114 4.239 4.340 0.022 0.000 0.210 161 L C 1.958 178.843 176.870 0.025 0.000 1.092 161 L CA 1.316 56.092 54.840 -0.106 0.000 0.759 161 L CB -0.431 41.473 42.059 -0.258 0.000 0.903 161 L HN 0.069 nan 8.230 nan 0.000 0.435 162 F N 0.436 120.371 119.950 -0.024 0.000 2.154 162 F HA -0.278 4.262 4.527 0.022 0.000 0.301 162 F C 1.802 177.678 175.800 0.127 0.000 1.087 162 F CA 2.070 60.110 58.000 0.067 0.000 1.274 162 F CB -0.073 38.977 39.000 0.082 0.000 1.009 162 F HN 0.225 nan 8.300 nan 0.000 0.485 163 D N -0.169 120.408 120.400 0.294 0.000 2.340 163 D HA 0.119 4.772 4.640 0.022 0.000 0.217 163 D C -0.196 176.179 176.300 0.125 0.000 1.081 163 D CA 0.297 54.421 54.000 0.207 0.000 0.842 163 D CB 0.306 41.239 40.800 0.222 0.000 0.934 163 D HN -0.049 nan 8.370 nan 0.000 0.511 164 V N 1.091 121.081 119.914 0.127 0.000 2.407 164 V HA 0.119 4.252 4.120 0.022 0.000 0.278 164 V C 0.650 176.888 176.094 0.239 0.000 1.037 164 V CA -0.691 61.698 62.300 0.148 0.000 0.900 164 V CB 1.655 33.541 31.823 0.105 0.000 0.983 164 V HN -0.013 nan 8.190 nan 0.000 0.459 165 S N 3.725 119.511 115.700 0.144 0.000 2.549 165 S HA 0.101 4.584 4.470 0.022 0.000 0.283 165 S C 0.988 175.635 174.600 0.079 0.000 1.320 165 S CA -0.520 57.728 58.200 0.079 0.000 1.058 165 S CB 0.488 63.703 63.200 0.025 0.000 0.882 165 S HN 0.647 nan 8.310 nan 0.000 0.498 166 L N 5.892 127.026 121.223 -0.148 0.000 2.187 166 L HA 0.016 4.369 4.340 0.022 0.000 0.213 166 L C 2.401 179.186 176.870 -0.141 0.000 1.100 166 L CA 1.689 56.273 54.840 -0.427 0.000 0.765 166 L CB -0.369 41.356 42.059 -0.557 0.000 0.904 166 L HN 0.713 nan 8.230 nan 0.000 0.437 167 R N -1.275 119.187 120.500 -0.063 0.000 2.235 167 R HA 0.026 4.379 4.340 0.022 0.000 0.213 167 R C 1.040 177.300 176.300 -0.067 0.000 1.059 167 R CA 0.564 56.658 56.100 -0.009 0.000 0.997 167 R CB -0.303 29.992 30.300 -0.008 0.000 0.884 167 R HN 0.354 nan 8.270 nan 0.000 0.462 168 S N 1.244 116.905 115.700 -0.064 0.000 2.537 168 S HA 0.164 4.647 4.470 0.022 0.000 0.275 168 S C -1.541 172.976 174.600 -0.139 0.000 1.272 168 S CA -1.869 56.246 58.200 -0.141 0.000 1.050 168 S CB 1.231 64.415 63.200 -0.027 0.000 0.961 168 S HN -0.069 nan 8.310 nan 0.000 0.496 169 P HA -0.140 nan 4.420 nan 0.000 0.219 169 P C 0.920 178.250 177.300 0.050 0.000 1.146 169 P CA 1.120 64.180 63.100 -0.066 0.000 0.808 169 P CB 0.083 31.737 31.700 -0.077 0.000 0.779 170 E N -1.256 118.959 120.200 0.025 0.000 2.160 170 E HA -0.193 4.170 4.350 0.022 0.000 0.195 170 E C 1.829 178.472 176.600 0.071 0.000 0.991 170 E CA 0.763 57.188 56.400 0.041 0.000 0.810 170 E CB -0.546 29.169 29.700 0.024 0.000 0.742 170 E HN 0.255 nan 8.360 nan 0.000 0.466 171 F N 1.203 121.153 119.950 -0.001 0.000 2.075 171 F HA -0.239 4.302 4.527 0.022 0.000 0.297 171 F C 2.324 178.141 175.800 0.028 0.000 1.113 171 F CA 1.592 59.600 58.000 0.013 0.000 1.218 171 F CB -0.194 38.814 39.000 0.013 0.000 0.984 171 F HN -0.039 nan 8.300 nan 0.000 0.472 172 A N -0.168 122.841 122.820 0.314 0.000 1.902 172 A HA -0.250 4.083 4.320 0.022 0.000 0.217 172 A C 2.071 179.707 177.584 0.086 0.000 1.181 172 A CA 1.908 54.070 52.037 0.209 0.000 0.623 172 A CB -0.916 18.199 19.000 0.191 0.000 0.818 172 A HN 0.599 nan 8.150 nan 0.000 0.443 173 Q N -0.764 119.075 119.800 0.065 0.000 2.020 173 Q HA -0.166 4.187 4.340 0.022 0.000 0.202 173 Q C 2.375 178.373 176.000 -0.004 0.000 0.982 173 Q CA 1.469 57.291 55.803 0.033 0.000 0.838 173 Q CB -0.224 28.534 28.738 0.034 0.000 0.899 173 Q HN 0.517 nan 8.270 nan 0.000 0.423 174 R N 0.194 120.662 120.500 -0.053 0.000 2.096 174 R HA -0.033 4.320 4.340 0.022 0.000 0.235 174 R C 2.335 178.560 176.300 -0.125 0.000 1.127 174 R CA 1.173 57.214 56.100 -0.099 0.000 0.968 174 R CB -0.536 29.667 30.300 -0.162 0.000 0.861 174 R HN 0.165 nan 8.270 nan 0.000 0.440 175 S N 1.410 117.008 115.700 -0.169 0.000 2.368 175 S HA -0.116 4.367 4.470 0.022 0.000 0.225 175 S C 1.354 175.933 174.600 -0.036 0.000 1.030 175 S CA 1.353 59.473 58.200 -0.132 0.000 0.999 175 S CB -0.203 62.941 63.200 -0.093 0.000 0.844 175 S HN 0.262 nan 8.310 nan 0.000 0.459 176 D N 1.021 121.421 120.400 -0.001 0.000 2.144 176 D HA -0.114 4.539 4.640 0.022 0.000 0.199 176 D C 1.951 178.269 176.300 0.031 0.000 0.984 176 D CA 0.926 54.938 54.000 0.021 0.000 0.834 176 D CB -0.281 40.538 40.800 0.032 0.000 0.955 176 D HN 0.545 nan 8.370 nan 0.000 0.465 177 E N -0.121 120.103 120.200 0.041 0.000 2.072 177 E HA -0.148 4.215 4.350 0.022 0.000 0.191 177 E C 2.090 178.795 176.600 0.175 0.000 0.985 177 E CA 0.298 56.765 56.400 0.111 0.000 0.801 177 E CB -0.035 29.726 29.700 0.102 0.000 0.750 177 E HN 0.061 nan 8.360 nan 0.000 0.452 178 L N 1.876 123.133 121.223 0.056 0.000 2.042 178 L HA -0.198 4.155 4.340 0.022 0.000 0.210 178 L C 2.292 179.190 176.870 0.047 0.000 1.076 178 L CA 1.980 56.834 54.840 0.024 0.000 0.749 178 L CB -0.633 41.378 42.059 -0.080 0.000 0.893 178 L HN 0.182 nan 8.230 nan 0.000 0.432 179 E N 0.010 120.220 120.200 0.016 0.000 2.085 179 E HA -0.256 4.107 4.350 0.022 0.000 0.194 179 E C 2.008 178.614 176.600 0.011 0.000 0.994 179 E CA 1.509 57.911 56.400 0.003 0.000 0.801 179 E CB -0.135 29.567 29.700 0.003 0.000 0.743 179 E HN 0.608 nan 8.360 nan 0.000 0.453 180 A N -0.088 122.741 122.820 0.016 0.000 1.902 180 A HA -0.175 4.158 4.320 0.022 0.000 0.217 180 A C 2.082 179.589 177.584 -0.127 0.000 1.181 180 A CA 1.410 53.409 52.037 -0.064 0.000 0.623 180 A CB -0.923 18.013 19.000 -0.106 0.000 0.818 180 A HN 0.368 nan 8.150 nan 0.000 0.443 181 Y N -0.123 120.146 120.300 -0.051 0.000 2.242 181 Y HA -0.063 4.500 4.550 0.021 0.000 0.291 181 Y C 2.148 177.996 175.900 -0.086 0.000 1.137 181 Y CA 1.329 59.390 58.100 -0.066 0.000 1.181 181 Y CB -0.296 38.116 38.460 -0.080 0.000 0.989 181 Y HN 0.167 nan 8.280 nan 0.000 0.527 182 L N -0.266 120.986 121.223 0.048 0.000 2.275 182 L HA -0.215 4.138 4.340 0.022 0.000 0.215 182 L C 2.405 179.255 176.870 -0.034 0.000 1.119 182 L CA 0.962 55.782 54.840 -0.033 0.000 0.790 182 L CB -0.418 41.607 42.059 -0.057 0.000 0.919 182 L HN 0.203 nan 8.230 nan 0.000 0.443 183 Q N 0.617 120.405 119.800 -0.021 0.000 2.181 183 Q HA -0.219 4.134 4.340 0.022 0.000 0.205 183 Q C 2.049 178.044 176.000 -0.007 0.000 0.980 183 Q CA 1.523 57.319 55.803 -0.011 0.000 0.862 183 Q CB -0.005 28.717 28.738 -0.025 0.000 0.905 183 Q HN 0.155 nan 8.270 nan 0.000 0.429 184 K N -0.251 120.133 120.400 -0.028 0.000 2.152 184 K HA -0.123 4.211 4.320 0.022 0.000 0.206 184 K C 1.941 178.536 176.600 -0.009 0.000 1.048 184 K CA 1.508 57.783 56.287 -0.020 0.000 0.933 184 K CB -0.301 32.182 32.500 -0.029 0.000 0.721 184 K HN 0.436 nan 8.250 nan 0.000 0.447 185 M N 0.222 119.795 119.600 -0.045 0.000 2.229 185 M HA -0.133 4.360 4.480 0.022 0.000 0.264 185 M C 2.100 178.483 176.300 0.139 0.000 1.063 185 M CA 0.959 56.220 55.300 -0.064 0.000 1.114 185 M CB -0.124 32.260 32.600 -0.361 0.000 1.387 185 M HN -0.157 nan 8.290 nan 0.000 0.420 186 V N 0.212 120.208 119.914 0.136 0.000 2.295 186 V HA -0.268 3.865 4.120 0.022 0.000 0.246 186 V C 2.164 178.341 176.094 0.138 0.000 1.049 186 V CA 2.063 64.461 62.300 0.164 0.000 1.024 186 V CB -0.795 31.088 31.823 0.101 0.000 0.648 186 V HN 0.523 nan 8.190 nan 0.000 0.447 187 E N 0.264 120.526 120.200 0.103 0.000 2.085 187 E HA -0.223 4.140 4.350 0.022 0.000 0.194 187 E C 2.353 179.052 176.600 0.165 0.000 0.994 187 E CA 1.614 58.083 56.400 0.114 0.000 0.801 187 E CB -0.099 29.646 29.700 0.075 0.000 0.743 187 E HN 0.593 nan 8.360 nan 0.000 0.453 188 S N 0.510 116.299 115.700 0.147 0.000 2.365 188 S HA -0.171 4.312 4.470 0.022 0.000 0.225 188 S C 1.871 176.628 174.600 0.261 0.000 1.039 188 S CA 1.137 59.445 58.200 0.180 0.000 1.033 188 S CB -0.150 63.130 63.200 0.134 0.000 0.887 188 S HN 0.314 nan 8.310 nan 0.000 0.447 189 I N 1.168 121.892 120.570 0.257 0.000 2.353 189 I HA -0.060 4.123 4.170 0.022 0.000 0.248 189 I C 2.296 178.534 176.117 0.203 0.000 1.119 189 I CA 0.817 62.260 61.300 0.238 0.000 1.417 189 I CB -1.558 36.565 38.000 0.204 0.000 1.078 189 I HN 0.142 nan 8.210 nan 0.000 0.421 190 V N 0.436 120.454 119.914 0.173 0.000 2.287 190 V HA -0.334 3.799 4.120 0.022 0.000 0.248 190 V C 2.442 178.644 176.094 0.180 0.000 1.053 190 V CA 1.946 64.328 62.300 0.137 0.000 1.027 190 V CB -0.934 30.953 31.823 0.106 0.000 0.646 190 V HN 0.332 nan 8.190 nan 0.000 0.447 191 Y N 1.107 121.495 120.300 0.147 0.000 2.145 191 Y HA -0.240 4.322 4.550 0.021 0.000 0.286 191 Y C 2.412 178.450 175.900 0.230 0.000 1.145 191 Y CA 1.817 60.057 58.100 0.233 0.000 1.148 191 Y CB -0.463 38.142 38.460 0.242 0.000 0.981 191 Y HN 0.162 nan 8.280 nan 0.000 0.507 192 A N -0.890 122.147 122.820 0.362 0.000 1.902 192 A HA -0.253 4.080 4.320 0.022 0.000 0.217 192 A C 2.096 179.742 177.584 0.103 0.000 1.181 192 A CA 1.707 53.894 52.037 0.250 0.000 0.623 192 A CB -1.493 17.647 19.000 0.233 0.000 0.818 192 A HN 0.697 nan 8.150 nan 0.000 0.443 193 Y N -0.004 120.285 120.300 -0.018 0.000 2.242 193 Y HA -0.151 4.413 4.550 0.025 0.000 0.291 193 Y C 2.574 178.372 175.900 -0.170 0.000 1.137 193 Y CA 2.061 60.113 58.100 -0.081 0.000 1.181 193 Y CB -0.157 38.259 38.460 -0.073 0.000 0.989 193 Y HN 0.322 nan 8.280 nan 0.000 0.527 194 R N -1.421 118.969 120.500 -0.184 0.000 2.093 194 R HA -0.093 4.260 4.340 0.022 0.000 0.224 194 R C 1.154 177.027 176.300 -0.711 0.000 1.101 194 R CA 1.670 57.451 56.100 -0.531 0.000 0.979 194 R CB -0.258 29.535 30.300 -0.846 0.000 0.877 194 R HN 0.322 nan 8.270 nan 0.000 0.441 195 F N -0.239 119.486 119.950 -0.375 0.000 2.717 195 F HA 0.339 4.878 4.527 0.020 0.000 0.297 195 F C 0.382 176.028 175.800 -0.256 0.000 1.113 195 F CA -0.257 57.434 58.000 -0.515 0.000 1.319 195 F CB 0.575 38.925 39.000 -1.084 0.000 1.097 195 F HN -0.163 nan 8.300 nan 0.000 0.595 196 I N 0.034 120.621 120.570 0.029 0.000 2.321 196 I HA 0.163 4.346 4.170 0.022 0.000 0.291 196 I C 0.518 176.657 176.117 0.037 0.000 0.998 196 I CA -0.744 60.630 61.300 0.124 0.000 1.227 196 I CB 1.355 39.453 38.000 0.164 0.000 1.368 196 I HN -0.175 nan 8.210 nan 0.000 0.466 197 S N 8.708 124.461 115.700 0.087 0.000 2.488 197 S HA 0.205 4.688 4.470 0.022 0.000 0.278 197 S C -1.128 173.523 174.600 0.084 0.000 1.259 197 S CA -1.165 57.063 58.200 0.047 0.000 1.061 197 S CB 0.762 64.004 63.200 0.069 0.000 0.910 197 S HN 0.438 nan 8.310 nan 0.000 0.491 198 P HA -0.199 nan 4.420 nan 0.000 0.215 198 P C 1.499 178.886 177.300 0.146 0.000 1.153 198 P CA 1.000 64.140 63.100 0.067 0.000 0.853 198 P CB -0.010 31.674 31.700 -0.026 0.000 0.788 199 Q N 0.417 120.269 119.800 0.088 0.000 2.050 199 Q HA -0.104 4.249 4.340 0.022 0.000 0.202 199 Q C 2.126 178.203 176.000 0.129 0.000 0.980 199 Q CA 1.679 57.541 55.803 0.098 0.000 0.840 199 Q CB -0.798 27.970 28.738 0.051 0.000 0.898 199 Q HN 0.055 nan 8.270 nan 0.000 0.424 200 V N 1.125 121.112 119.914 0.122 0.000 2.343 200 V HA -0.242 3.891 4.120 0.022 0.000 0.247 200 V C 2.234 178.409 176.094 0.135 0.000 1.051 200 V CA 1.966 64.335 62.300 0.115 0.000 1.036 200 V CB -0.954 30.940 31.823 0.117 0.000 0.654 200 V HN 0.348 nan 8.190 nan 0.000 0.451 201 F N 0.087 120.090 119.950 0.089 0.000 2.069 201 F HA -0.282 4.261 4.527 0.025 0.000 0.298 201 F C 2.342 178.182 175.800 0.067 0.000 1.113 201 F CA 2.260 60.322 58.000 0.104 0.000 1.214 201 F CB -0.532 38.534 39.000 0.109 0.000 0.978 201 F HN 0.208 nan 8.300 nan 0.000 0.474 202 Y N 0.878 121.204 120.300 0.042 0.000 2.200 202 Y HA -0.174 4.388 4.550 0.021 0.000 0.290 202 Y C 2.112 177.897 175.900 -0.191 0.000 1.137 202 Y CA 2.095 60.120 58.100 -0.124 0.000 1.163 202 Y CB -0.472 37.944 38.460 -0.073 0.000 0.988 202 Y HN 0.076 nan 8.280 nan 0.000 0.518 203 D N -0.818 119.576 120.400 -0.009 0.000 2.240 203 D HA -0.071 4.582 4.640 0.022 0.000 0.206 203 D C 1.735 177.958 176.300 -0.129 0.000 0.963 203 D CA 1.072 55.036 54.000 -0.059 0.000 0.863 203 D CB 0.131 40.957 40.800 0.044 0.000 0.973 203 D HN 0.418 nan 8.370 nan 0.000 0.501 204 E N -0.472 119.668 120.200 -0.101 0.000 2.364 204 E HA 0.177 4.540 4.350 0.022 0.000 0.203 204 E C 2.199 178.787 176.600 -0.021 0.000 0.888 204 E CA 0.068 56.447 56.400 -0.036 0.000 0.989 204 E CB 0.671 30.387 29.700 0.028 0.000 0.985 204 E HN 0.246 nan 8.360 nan 0.000 0.499 205 L N 0.281 121.401 121.223 -0.172 0.000 2.262 205 L HA 0.207 4.560 4.340 0.022 0.000 0.197 205 L C 2.712 179.301 176.870 -0.468 0.000 1.073 205 L CA 0.226 54.941 54.840 -0.210 0.000 0.800 205 L CB -0.417 41.575 42.059 -0.113 0.000 0.987 205 L HN -0.011 nan 8.230 nan 0.000 0.470 206 R N 1.085 121.154 120.500 -0.718 0.000 2.140 206 R HA -0.210 4.143 4.340 0.022 0.000 0.250 206 R C -0.614 175.418 176.300 -0.446 0.000 1.150 206 R CA 2.136 57.895 56.100 -0.568 0.000 0.966 206 R CB -1.266 28.582 30.300 -0.752 0.000 0.869 206 R HN 0.228 nan 8.270 nan 0.000 0.445 207 P HA -0.110 nan 4.420 nan 0.000 0.225 207 P C 0.322 177.173 177.300 -0.748 0.000 1.148 207 P CA 1.141 63.893 63.100 -0.580 0.000 0.779 207 P CB -0.072 31.245 31.700 -0.637 0.000 0.780 208 F N -3.285 116.187 119.950 -0.797 0.000 2.780 208 F HA 0.041 4.573 4.527 0.008 0.000 0.299 208 F C 0.898 176.121 175.800 -0.961 0.000 1.146 208 F CA 0.605 57.995 58.000 -1.017 0.000 1.428 208 F CB -0.446 37.694 39.000 -1.433 0.000 1.115 208 F HN -0.052 nan 8.300 nan 0.000 0.583 209 Y N -0.065 120.101 120.300 -0.223 0.000 2.720 209 Y HA 0.265 4.831 4.550 0.027 0.000 0.277 209 Y C 0.400 176.254 175.900 -0.076 0.000 1.144 209 Y CA -1.303 56.720 58.100 -0.129 0.000 1.221 209 Y CB -1.111 37.316 38.460 -0.055 0.000 1.163 209 Y HN 0.010 nan 8.280 nan 0.000 0.537 210 E N 2.590 122.773 120.200 -0.029 0.000 2.349 210 E HA 0.183 4.546 4.350 0.022 0.000 0.262 210 E C -2.267 174.351 176.600 0.030 0.000 1.088 210 E CA -1.994 54.397 56.400 -0.015 0.000 0.899 210 E CB 0.347 29.993 29.700 -0.089 0.000 1.044 210 E HN 0.008 nan 8.360 nan 0.000 0.420 211 P HA 0.116 nan 4.420 nan 0.000 0.274 211 P C -0.529 176.814 177.300 0.071 0.000 1.237 211 P CA 0.086 63.229 63.100 0.071 0.000 0.793 211 P CB 0.508 32.238 31.700 0.050 0.000 0.977 212 I N -2.006 118.635 120.570 0.119 0.000 2.892 212 I HA 0.612 4.795 4.170 0.022 0.000 0.306 212 I C -0.483 175.720 176.117 0.143 0.000 1.078 212 I CA -1.663 59.706 61.300 0.115 0.000 1.032 212 I CB 2.655 40.730 38.000 0.125 0.000 1.229 212 I HN 0.084 nan 8.210 nan 0.000 0.435 213 R N 3.192 123.758 120.500 0.111 0.000 2.265 213 R HA 0.744 5.097 4.340 0.022 0.000 0.319 213 R C -1.347 175.041 176.300 0.146 0.000 1.006 213 R CA -0.738 55.427 56.100 0.108 0.000 0.880 213 R CB 1.964 32.298 30.300 0.056 0.000 1.077 213 R HN 0.538 nan 8.270 nan 0.000 0.454 214 V N 0.995 121.042 119.914 0.222 0.000 2.808 214 V HA 0.413 4.546 4.120 0.022 0.000 0.308 214 V C 0.732 176.959 176.094 0.221 0.000 1.099 214 V CA -0.568 61.854 62.300 0.204 0.000 0.920 214 V CB 1.908 33.843 31.823 0.186 0.000 1.014 214 V HN 1.031 nan 8.190 nan 0.000 0.425 215 G N 2.662 111.539 108.800 0.128 0.000 2.283 215 G HA2 0.084 4.057 3.960 0.022 0.000 0.280 215 G HA3 0.084 4.057 3.960 0.022 0.000 0.280 215 G C 1.173 176.120 174.900 0.078 0.000 1.029 215 G CA 0.856 46.019 45.100 0.105 0.000 0.840 215 G HN 2.573 nan 8.290 nan 0.000 0.505 216 G N -1.704 107.130 108.800 0.056 0.000 2.143 216 G HA2 0.039 4.012 3.960 0.022 0.000 0.248 216 G HA3 0.039 4.012 3.960 0.022 0.000 0.248 216 G C 0.208 175.099 174.900 -0.014 0.000 0.991 216 G CA 1.515 46.627 45.100 0.020 0.000 0.689 216 G HN 2.148 nan 8.290 nan 0.000 0.522 217 Q N -1.622 118.158 119.800 -0.034 0.000 2.565 217 Q HA 0.748 5.101 4.340 0.022 0.000 0.294 217 Q C -0.858 175.008 176.000 -0.223 0.000 1.005 217 Q CA -0.518 55.190 55.803 -0.159 0.000 0.771 217 Q CB 1.256 29.837 28.738 -0.262 0.000 1.486 217 Q HN 0.542 nan 8.270 nan 0.000 0.422 218 S N 0.170 115.697 115.700 -0.288 0.000 2.462 218 S HA 0.570 5.053 4.470 0.022 0.000 0.294 218 S C -1.663 172.734 174.600 -0.339 0.000 1.144 218 S CA -0.319 57.766 58.200 -0.191 0.000 1.088 218 S CB 0.240 63.383 63.200 -0.095 0.000 1.009 218 S HN 0.434 nan 8.310 nan 0.000 0.484 219 Y N 4.046 124.401 120.300 0.093 0.000 2.341 219 Y HA 0.443 5.005 4.550 0.021 0.000 0.338 219 Y C 0.324 176.326 175.900 0.171 0.000 0.965 219 Y CA -0.831 57.381 58.100 0.188 0.000 1.108 219 Y CB 1.040 39.606 38.460 0.177 0.000 1.180 219 Y HN 0.512 nan 8.280 nan 0.000 0.458 220 L N 2.893 124.287 121.223 0.285 0.000 2.483 220 L HA 0.264 4.617 4.340 0.022 0.000 0.275 220 L C 1.187 178.116 176.870 0.098 0.000 1.220 220 L CA -0.019 54.860 54.840 0.064 0.000 0.833 220 L CB 0.261 42.217 42.059 -0.172 0.000 1.102 220 L HN 0.834 nan 8.230 nan 0.000 0.490 221 G N 1.448 110.307 108.800 0.097 0.000 2.580 221 G HA2 0.422 4.395 3.960 0.022 0.000 0.278 221 G HA3 0.422 4.395 3.960 0.022 0.000 0.278 221 G C -2.564 172.397 174.900 0.101 0.000 1.212 221 G CA -1.061 44.123 45.100 0.140 0.000 0.939 221 G HN 0.382 nan 8.290 nan 0.000 0.513 222 P HA 0.392 nan 4.420 nan 0.000 0.268 222 P C 0.170 177.409 177.300 -0.102 0.000 1.205 222 P CA 0.179 63.310 63.100 0.051 0.000 0.771 222 P CB 1.309 33.077 31.700 0.114 0.000 0.858 223 G N 0.163 108.906 108.800 -0.096 0.000 2.667 223 G HA2 0.435 4.408 3.960 0.022 0.000 0.294 223 G HA3 0.435 4.408 3.960 0.022 0.000 0.294 223 G C 0.304 175.160 174.900 -0.072 0.000 1.467 223 G CA -0.098 44.931 45.100 -0.119 0.000 0.852 223 G HN 0.347 nan 8.290 nan 0.000 0.521 224 A N 0.479 123.275 122.820 -0.039 0.000 2.125 224 A HA 0.137 4.470 4.320 0.022 0.000 0.219 224 A C 2.436 179.996 177.584 -0.040 0.000 1.156 224 A CA 1.917 53.942 52.037 -0.019 0.000 0.671 224 A CB -0.320 18.702 19.000 0.037 0.000 0.794 224 A HN 1.540 nan 8.150 nan 0.000 0.459 225 V N 0.388 120.253 119.914 -0.081 0.000 2.546 225 V HA -0.268 3.865 4.120 0.022 0.000 0.254 225 V C 1.907 177.827 176.094 -0.291 0.000 1.076 225 V CA 2.603 64.770 62.300 -0.222 0.000 1.087 225 V CB -0.559 31.015 31.823 -0.415 0.000 0.674 225 V HN 0.740 nan 8.190 nan 0.000 0.470 226 E N -0.555 119.557 120.200 -0.147 0.000 2.482 226 E HA 0.059 4.422 4.350 0.022 0.000 0.196 226 E C 0.778 177.432 176.600 0.090 0.000 1.047 226 E CA -0.203 56.215 56.400 0.030 0.000 0.869 226 E CB -0.029 29.711 29.700 0.068 0.000 0.836 226 E HN 0.589 nan 8.360 nan 0.000 0.520 227 M N 2.379 121.984 119.600 0.007 0.000 2.248 227 M HA 0.007 4.500 4.480 0.022 0.000 0.345 227 M C -1.723 174.531 176.300 -0.078 0.000 1.243 227 M CA -1.058 54.206 55.300 -0.060 0.000 1.090 227 M CB 0.291 32.825 32.600 -0.110 0.000 1.683 227 M HN -0.196 nan 8.290 nan 0.000 0.450 228 P HA -0.040 nan 4.420 nan 0.000 0.269 228 P C 0.891 177.859 177.300 -0.553 0.000 1.461 228 P CA 0.266 63.038 63.100 -0.547 0.000 0.809 228 P CB -0.192 31.134 31.700 -0.623 0.000 1.503 229 L N 0.762 121.801 121.223 -0.306 0.000 2.079 229 L HA -0.176 4.177 4.340 0.022 0.000 0.210 229 L C 2.197 179.002 176.870 -0.108 0.000 1.081 229 L CA 1.945 56.658 54.840 -0.212 0.000 0.752 229 L CB -1.484 40.481 42.059 -0.156 0.000 0.896 229 L HN 0.011 nan 8.230 nan 0.000 0.433 230 F N -2.742 117.199 119.950 -0.015 0.000 2.269 230 F HA -0.059 4.480 4.527 0.021 0.000 0.301 230 F C 1.888 177.705 175.800 0.028 0.000 1.082 230 F CA 1.209 59.247 58.000 0.063 0.000 1.360 230 F CB -1.556 37.461 39.000 0.029 0.000 1.041 230 F HN -0.107 nan 8.300 nan 0.000 0.512 231 V N 1.350 120.839 119.914 -0.710 0.000 2.323 231 V HA -0.247 3.886 4.120 0.022 0.000 0.244 231 V C 2.591 178.554 176.094 -0.219 0.000 1.041 231 V CA 1.765 63.834 62.300 -0.385 0.000 1.025 231 V CB -0.729 30.791 31.823 -0.506 0.000 0.656 231 V HN 0.552 nan 8.190 nan 0.000 0.451 232 L N 0.013 121.057 121.223 -0.299 0.000 2.013 232 L HA -0.260 4.093 4.340 0.022 0.000 0.212 232 L C 2.565 179.324 176.870 -0.186 0.000 1.073 232 L CA 2.080 56.770 54.840 -0.251 0.000 0.753 232 L CB -0.288 41.617 42.059 -0.257 0.000 0.890 232 L HN 0.378 nan 8.230 nan 0.000 0.432 233 E N -1.776 118.341 120.200 -0.138 0.000 2.285 233 E HA -0.242 4.121 4.350 0.022 0.000 0.194 233 E C 1.850 178.193 176.600 -0.429 0.000 0.997 233 E CA 0.755 57.007 56.400 -0.247 0.000 0.845 233 E CB -0.055 29.581 29.700 -0.106 0.000 0.782 233 E HN 0.596 nan 8.360 nan 0.000 0.491 234 H N 0.735 119.635 119.070 -0.283 0.000 2.290 234 H HA -0.142 4.427 4.556 0.022 0.000 0.298 234 H C 1.947 177.127 175.328 -0.246 0.000 1.087 234 H CA 2.048 57.950 56.048 -0.243 0.000 1.291 234 H CB -0.195 29.461 29.762 -0.177 0.000 1.369 234 H HN -0.066 nan 8.280 nan 0.000 0.492 235 V N 0.312 120.066 119.914 -0.267 0.000 2.295 235 V HA -0.223 3.910 4.120 0.022 0.000 0.246 235 V C 2.618 178.613 176.094 -0.164 0.000 1.049 235 V CA 1.700 63.741 62.300 -0.430 0.000 1.024 235 V CB -0.846 30.549 31.823 -0.713 0.000 0.648 235 V HN 0.365 nan 8.190 nan 0.000 0.447 236 L N 0.330 121.481 121.223 -0.120 0.000 1.994 236 L HA -0.118 4.235 4.340 0.022 0.000 0.208 236 L C 2.011 179.047 176.870 0.277 0.000 1.071 236 L CA 2.439 57.316 54.840 0.061 0.000 0.745 236 L CB -0.436 41.651 42.059 0.046 0.000 0.892 236 L HN 0.725 nan 8.230 nan 0.000 0.431 237 W N -4.062 117.331 121.300 0.155 0.000 2.396 237 W HA 0.449 5.121 4.660 0.021 0.000 0.216 237 W C 1.210 177.828 176.519 0.165 0.000 0.949 237 W CA 0.402 57.871 57.345 0.206 0.000 1.168 237 W CB -0.460 29.201 29.460 0.335 0.000 0.829 237 W HN 0.118 nan 8.180 nan 0.000 0.663 238 G N 1.871 110.459 108.800 -0.354 0.000 2.986 238 G HA2 -0.031 3.942 3.960 0.022 0.000 0.213 238 G HA3 -0.031 3.942 3.960 0.022 0.000 0.213 238 G C 1.500 176.408 174.900 0.013 0.000 1.156 238 G CA 1.013 45.992 45.100 -0.203 0.000 0.763 238 G HN 0.184 nan 8.290 nan 0.000 0.547 239 S N 0.166 115.704 115.700 -0.270 0.000 2.383 239 S HA -0.131 4.352 4.470 0.022 0.000 0.229 239 S C 1.786 176.320 174.600 -0.110 0.000 1.030 239 S CA 1.086 58.964 58.200 -0.536 0.000 1.002 239 S CB -0.160 62.636 63.200 -0.673 0.000 0.829 239 S HN 0.396 nan 8.310 nan 0.000 0.467 240 Q N 1.010 120.822 119.800 0.021 0.000 2.204 240 Q HA 0.330 4.683 4.340 0.022 0.000 0.209 240 Q C -0.025 176.062 176.000 0.145 0.000 0.861 240 Q CA -0.300 55.553 55.803 0.084 0.000 0.971 240 Q CB 0.594 29.382 28.738 0.084 0.000 1.095 240 Q HN 0.537 nan 8.270 nan 0.000 0.486 241 S N 1.589 117.419 115.700 0.217 0.000 2.560 241 S HA -0.033 4.450 4.470 0.022 0.000 0.284 241 S C 0.554 175.295 174.600 0.234 0.000 1.327 241 S CA -0.182 58.188 58.200 0.284 0.000 1.055 241 S CB 0.540 64.033 63.200 0.489 0.000 0.868 241 S HN 0.362 nan 8.310 nan 0.000 0.506 242 D N 1.885 122.402 120.400 0.196 0.000 2.340 242 D HA 0.074 4.727 4.640 0.022 0.000 0.217 242 D C -0.036 176.367 176.300 0.172 0.000 1.081 242 D CA -0.226 53.868 54.000 0.157 0.000 0.842 242 D CB -0.180 40.688 40.800 0.114 0.000 0.934 242 D HN 0.425 nan 8.370 nan 0.000 0.511 243 D N 1.398 121.940 120.400 0.236 0.000 2.342 243 D HA -0.042 4.611 4.640 0.022 0.000 0.260 243 D C 1.169 177.621 176.300 0.254 0.000 1.278 243 D CA 0.017 54.164 54.000 0.244 0.000 0.910 243 D CB 1.292 42.266 40.800 0.291 0.000 1.079 243 D HN 0.025 nan 8.370 nan 0.000 0.496 244 Q N 2.607 122.511 119.800 0.174 0.000 2.084 244 Q HA -0.158 4.195 4.340 0.022 0.000 0.202 244 Q C 1.428 177.519 176.000 0.151 0.000 0.978 244 Q CA 2.058 57.945 55.803 0.140 0.000 0.844 244 Q CB -0.190 28.608 28.738 0.101 0.000 0.898 244 Q HN 0.455 nan 8.270 nan 0.000 0.426 245 T N -0.031 114.623 114.554 0.167 0.000 2.746 245 T HA -0.170 4.193 4.350 0.022 0.000 0.267 245 T C 1.292 176.148 174.700 0.260 0.000 1.039 245 T CA 1.382 63.586 62.100 0.174 0.000 1.142 245 T CB -0.618 68.338 68.868 0.146 0.000 0.866 245 T HN 0.481 nan 8.240 nan 0.000 0.444 246 Y N 2.196 122.605 120.300 0.181 0.000 2.163 246 Y HA -0.036 4.527 4.550 0.021 0.000 0.288 246 Y C 2.606 178.680 175.900 0.291 0.000 1.136 246 Y CA 1.156 59.411 58.100 0.258 0.000 1.147 246 Y CB -0.425 38.186 38.460 0.252 0.000 0.987 246 Y HN -0.045 nan 8.280 nan 0.000 0.509 247 R N 0.405 120.928 120.500 0.038 0.000 2.096 247 R HA -0.219 4.134 4.340 0.022 0.000 0.240 247 R C 2.208 178.495 176.300 -0.021 0.000 1.139 247 R CA 2.285 58.359 56.100 -0.043 0.000 0.952 247 R CB -0.263 30.080 30.300 0.071 0.000 0.854 247 R HN 0.527 nan 8.270 nan 0.000 0.436 248 E N -0.627 119.602 120.200 0.049 0.000 2.072 248 E HA -0.211 4.152 4.350 0.022 0.000 0.191 248 E C 1.723 178.331 176.600 0.013 0.000 0.985 248 E CA 1.242 57.657 56.400 0.026 0.000 0.801 248 E CB -0.238 29.495 29.700 0.057 0.000 0.750 248 E HN 0.316 nan 8.360 nan 0.000 0.452 249 F N 2.388 122.312 119.950 -0.043 0.000 2.065 249 F HA -0.245 4.294 4.527 0.021 0.000 0.298 249 F C 1.864 177.576 175.800 -0.147 0.000 1.112 249 F CA 1.697 59.685 58.000 -0.020 0.000 1.212 249 F CB -0.076 38.968 39.000 0.074 0.000 0.975 249 F HN -0.211 nan 8.300 nan 0.000 0.476 250 K N 0.123 120.212 120.400 -0.519 0.000 2.057 250 K HA -0.187 4.146 4.320 0.022 0.000 0.207 250 K C 1.998 178.223 176.600 -0.625 0.000 1.049 250 K CA 1.978 57.813 56.287 -0.754 0.000 0.931 250 K CB -0.377 31.967 32.500 -0.261 0.000 0.714 250 K HN 0.428 nan 8.250 nan 0.000 0.440 251 E N 0.059 120.041 120.200 -0.363 0.000 2.150 251 E HA -0.119 4.244 4.350 0.022 0.000 0.193 251 E C 1.881 178.299 176.600 -0.304 0.000 0.985 251 E CA 1.211 57.435 56.400 -0.293 0.000 0.814 251 E CB -0.007 29.604 29.700 -0.149 0.000 0.752 251 E HN 0.249 nan 8.360 nan 0.000 0.466 252 T N 0.045 114.378 114.554 -0.368 0.000 2.746 252 T HA -0.146 4.217 4.350 0.022 0.000 0.267 252 T C 1.137 175.504 174.700 -0.555 0.000 1.039 252 T CA 1.191 63.013 62.100 -0.464 0.000 1.142 252 T CB -0.196 68.327 68.868 -0.576 0.000 0.866 252 T HN 0.241 nan 8.240 nan 0.000 0.444 253 Y N 0.056 120.089 120.300 -0.446 0.000 2.497 253 Y HA 0.332 4.895 4.550 0.021 0.000 0.265 253 Y C 1.799 177.692 175.900 -0.012 0.000 1.111 253 Y CA -0.642 57.265 58.100 -0.322 0.000 1.288 253 Y CB -0.295 37.685 38.460 -0.799 0.000 1.082 253 Y HN 0.050 nan 8.280 nan 0.000 0.536 254 L N 1.800 122.981 121.223 -0.069 0.000 2.021 254 L HA -0.168 4.185 4.340 0.022 0.000 0.215 254 L C -0.868 176.045 176.870 0.072 0.000 1.074 254 L CA 2.187 57.058 54.840 0.052 0.000 0.760 254 L CB -1.496 40.392 42.059 -0.285 0.000 0.889 254 L HN 0.013 nan 8.230 nan 0.000 0.433 255 P HA -0.163 nan 4.420 nan 0.000 0.221 255 P C 0.756 177.949 177.300 -0.179 0.000 1.145 255 P CA 1.494 64.502 63.100 -0.152 0.000 0.795 255 P CB -0.151 31.358 31.700 -0.319 0.000 0.775 256 Y N -1.380 118.999 120.300 0.132 0.000 2.511 256 Y HA 0.050 4.613 4.550 0.022 0.000 0.279 256 Y C 1.494 177.490 175.900 0.160 0.000 1.157 256 Y CA -0.328 57.869 58.100 0.161 0.000 1.300 256 Y CB -0.404 38.172 38.460 0.194 0.000 1.052 256 Y HN -0.165 nan 8.280 nan 0.000 0.529 257 V N -1.737 118.342 119.914 0.274 0.000 3.109 257 V HA 0.359 4.492 4.120 0.022 0.000 0.317 257 V C 0.267 176.466 176.094 0.176 0.000 1.074 257 V CA -1.844 60.588 62.300 0.219 0.000 1.033 257 V CB 1.128 33.059 31.823 0.181 0.000 1.111 257 V HN 0.037 nan 8.190 nan 0.000 0.458 258 L N 2.443 123.775 121.223 0.182 0.000 2.506 258 L HA 0.162 4.515 4.340 0.022 0.000 0.281 258 L C -1.227 175.632 176.870 -0.017 0.000 1.228 258 L CA -0.848 54.032 54.840 0.067 0.000 0.850 258 L CB 0.211 42.224 42.059 -0.078 0.000 1.110 258 L HN 0.517 nan 8.230 nan 0.000 0.496 259 P HA -0.267 nan 4.420 nan 0.000 0.216 259 P C 1.281 178.530 177.300 -0.085 0.000 1.154 259 P CA 1.866 64.948 63.100 -0.030 0.000 0.865 259 P CB 0.140 31.824 31.700 -0.026 0.000 0.789 260 A N -1.624 121.069 122.820 -0.212 0.000 1.940 260 A HA -0.236 4.097 4.320 0.022 0.000 0.219 260 A C 1.915 179.402 177.584 -0.161 0.000 1.176 260 A CA 1.674 53.561 52.037 -0.250 0.000 0.631 260 A CB -1.849 16.905 19.000 -0.411 0.000 0.814 260 A HN 0.164 nan 8.150 nan 0.000 0.446 261 Y N -0.197 120.102 120.300 -0.002 0.000 2.337 261 Y HA -0.010 4.552 4.550 0.021 0.000 0.293 261 Y C 2.479 178.376 175.900 -0.004 0.000 1.123 261 Y CA 0.734 58.816 58.100 -0.031 0.000 1.201 261 Y CB -0.490 37.909 38.460 -0.101 0.000 1.011 261 Y HN 0.268 nan 8.280 nan 0.000 0.545 262 R N -0.040 120.532 120.500 0.121 0.000 2.115 262 R HA -0.078 4.275 4.340 0.022 0.000 0.230 262 R C 2.392 178.765 176.300 0.122 0.000 1.111 262 R CA 1.090 57.242 56.100 0.086 0.000 0.976 262 R CB -0.553 29.769 30.300 0.036 0.000 0.870 262 R HN 0.310 nan 8.270 nan 0.000 0.445 263 A N 0.921 123.794 122.820 0.090 0.000 1.897 263 A HA -0.063 4.270 4.320 0.022 0.000 0.215 263 A C 2.391 180.047 177.584 0.121 0.000 1.181 263 A CA 0.977 53.061 52.037 0.078 0.000 0.620 263 A CB -0.438 18.579 19.000 0.029 0.000 0.821 263 A HN 0.079 nan 8.150 nan 0.000 0.443 264 V N -1.254 118.764 119.914 0.174 0.000 2.287 264 V HA -0.318 3.815 4.120 0.022 0.000 0.248 264 V C 2.327 178.623 176.094 0.337 0.000 1.053 264 V CA 2.268 64.727 62.300 0.265 0.000 1.027 264 V CB -1.024 30.954 31.823 0.259 0.000 0.646 264 V HN 0.712 nan 8.190 nan 0.000 0.447 265 Y N 1.156 121.532 120.300 0.127 0.000 2.114 265 Y HA -0.311 4.253 4.550 0.022 0.000 0.282 265 Y C 2.406 178.382 175.900 0.127 0.000 1.165 265 Y CA 2.055 60.195 58.100 0.066 0.000 1.148 265 Y CB -0.501 37.891 38.460 -0.114 0.000 0.972 265 Y HN 0.171 nan 8.280 nan 0.000 0.504 266 A N 0.350 123.334 122.820 0.273 0.000 1.902 266 A HA -0.247 4.086 4.320 0.022 0.000 0.217 266 A C 2.294 179.897 177.584 0.031 0.000 1.181 266 A CA 1.875 54.006 52.037 0.156 0.000 0.623 266 A CB -0.878 18.193 19.000 0.118 0.000 0.818 266 A HN 0.569 nan 8.150 nan 0.000 0.443 267 R N -1.791 118.694 120.500 -0.025 0.000 2.127 267 R HA -0.133 4.220 4.340 0.022 0.000 0.238 267 R C 1.100 177.114 176.300 -0.477 0.000 1.134 267 R CA 1.955 57.889 56.100 -0.276 0.000 0.975 267 R CB -0.294 29.775 30.300 -0.385 0.000 0.865 267 R HN 0.510 nan 8.270 nan 0.000 0.447 268 F N -0.944 118.936 119.950 -0.117 0.000 2.721 268 F HA 0.246 4.786 4.527 0.022 0.000 0.301 268 F C 2.129 177.823 175.800 -0.176 0.000 1.096 268 F CA -0.053 57.826 58.000 -0.201 0.000 1.308 268 F CB 0.439 39.263 39.000 -0.295 0.000 1.086 268 F HN -0.070 nan 8.300 nan 0.000 0.587 269 S N 0.123 115.864 115.700 0.068 0.000 2.383 269 S HA -0.154 4.329 4.470 0.022 0.000 0.229 269 S C 2.193 176.800 174.600 0.011 0.000 1.030 269 S CA 1.469 59.702 58.200 0.055 0.000 1.002 269 S CB -0.720 62.523 63.200 0.071 0.000 0.829 269 S HN 0.463 nan 8.310 nan 0.000 0.467 270 G N 0.776 109.577 108.800 0.003 0.000 3.383 270 G HA2 0.259 4.232 3.960 0.022 0.000 0.251 270 G HA3 0.259 4.232 3.960 0.022 0.000 0.251 270 G C -0.078 174.835 174.900 0.021 0.000 1.203 270 G CA -0.237 44.870 45.100 0.011 0.000 0.852 270 G HN 0.356 nan 8.290 nan 0.000 0.531 271 E N 0.155 120.376 120.200 0.036 0.000 2.288 271 E HA 0.298 4.661 4.350 0.022 0.000 0.268 271 E C -2.711 173.974 176.600 0.142 0.000 0.885 271 E CA -2.180 54.283 56.400 0.106 0.000 0.767 271 E CB 2.533 32.325 29.700 0.153 0.000 1.220 271 E HN -0.081 nan 8.360 nan 0.000 0.427 272 P HA -0.047 nan 4.420 nan 0.000 0.266 272 P C -0.869 176.587 177.300 0.260 0.000 1.195 272 P CA 0.258 63.455 63.100 0.162 0.000 0.768 272 P CB 0.487 32.261 31.700 0.123 0.000 0.838 273 A N 3.012 125.951 122.820 0.199 0.000 2.327 273 A HA 0.100 4.433 4.320 0.022 0.000 0.255 273 A C 1.583 179.314 177.584 0.245 0.000 1.099 273 A CA -0.300 51.887 52.037 0.249 0.000 0.801 273 A CB -0.530 18.570 19.000 0.166 0.000 1.062 273 A HN 0.728 nan 8.150 nan 0.000 0.496 274 L N 0.544 121.931 121.223 0.274 0.000 2.013 274 L HA -0.198 4.155 4.340 0.022 0.000 0.212 274 L C 2.318 179.255 176.870 0.111 0.000 1.073 274 L CA 2.094 56.980 54.840 0.077 0.000 0.753 274 L CB -0.247 41.919 42.059 0.180 0.000 0.890 274 L HN 0.856 nan 8.230 nan 0.000 0.432 275 I N -0.367 120.340 120.570 0.228 0.000 2.208 275 I HA -0.367 3.817 4.170 0.022 0.000 0.245 275 I C 1.910 178.099 176.117 0.120 0.000 1.097 275 I CA 1.848 63.288 61.300 0.232 0.000 1.363 275 I CB -0.252 37.949 38.000 0.334 0.000 1.051 275 I HN 0.415 nan 8.210 nan 0.000 0.413 276 D N 0.473 120.941 120.400 0.112 0.000 2.117 276 D HA -0.220 4.433 4.640 0.022 0.000 0.197 276 D C 2.194 178.507 176.300 0.021 0.000 0.987 276 D CA 0.879 54.920 54.000 0.068 0.000 0.829 276 D CB -0.470 40.382 40.800 0.086 0.000 0.961 276 D HN 0.326 nan 8.370 nan 0.000 0.460 277 R N 1.196 121.688 120.500 -0.014 0.000 2.066 277 R HA -0.043 4.310 4.340 0.022 0.000 0.232 277 R C 2.049 178.307 176.300 -0.070 0.000 1.131 277 R CA 1.378 57.436 56.100 -0.070 0.000 0.955 277 R CB -0.446 29.737 30.300 -0.194 0.000 0.851 277 R HN 0.111 nan 8.270 nan 0.000 0.432 278 A N 1.291 124.080 122.820 -0.052 0.000 1.877 278 A HA -0.102 4.231 4.320 0.022 0.000 0.216 278 A C 2.461 179.989 177.584 -0.094 0.000 1.186 278 A CA 1.204 53.181 52.037 -0.099 0.000 0.620 278 A CB -0.573 18.404 19.000 -0.039 0.000 0.822 278 A HN 0.327 nan 8.150 nan 0.000 0.443 279 L N -0.569 120.631 121.223 -0.038 0.000 2.046 279 L HA -0.185 4.169 4.340 0.022 0.000 0.208 279 L C 2.088 178.934 176.870 -0.040 0.000 1.077 279 L CA 1.389 56.207 54.840 -0.037 0.000 0.747 279 L CB -0.750 41.299 42.059 -0.017 0.000 0.896 279 L HN 0.283 nan 8.230 nan 0.000 0.432 280 D N -0.033 120.347 120.400 -0.032 0.000 2.117 280 D HA -0.223 4.430 4.640 0.022 0.000 0.197 280 D C 2.062 178.337 176.300 -0.041 0.000 0.987 280 D CA 1.169 55.152 54.000 -0.029 0.000 0.829 280 D CB 0.000 40.789 40.800 -0.019 0.000 0.961 280 D HN 0.360 nan 8.370 nan 0.000 0.460 281 E N 0.189 120.353 120.200 -0.062 0.000 2.110 281 E HA -0.138 4.225 4.350 0.022 0.000 0.193 281 E C 1.954 178.510 176.600 -0.074 0.000 0.988 281 E CA 0.927 57.283 56.400 -0.072 0.000 0.804 281 E CB 0.040 29.677 29.700 -0.104 0.000 0.745 281 E HN 0.179 nan 8.360 nan 0.000 0.458 282 A N 1.095 123.864 122.820 -0.084 0.000 1.933 282 A HA -0.153 4.180 4.320 0.022 0.000 0.218 282 A C 2.122 179.677 177.584 -0.049 0.000 1.175 282 A CA 1.281 53.273 52.037 -0.075 0.000 0.628 282 A CB -0.367 18.585 19.000 -0.079 0.000 0.814 282 A HN 0.153 nan 8.150 nan 0.000 0.444 283 R N -0.736 119.739 120.500 -0.041 0.000 2.115 283 R HA 0.008 4.361 4.340 0.022 0.000 0.226 283 R C 2.406 178.691 176.300 -0.025 0.000 1.100 283 R CA 0.988 57.070 56.100 -0.029 0.000 0.980 283 R CB -0.311 29.975 30.300 -0.024 0.000 0.875 283 R HN 0.526 nan 8.270 nan 0.000 0.445 284 A N 0.354 123.158 122.820 -0.027 0.000 1.872 284 A HA -0.059 4.274 4.320 0.022 0.000 0.214 284 A C 2.213 179.784 177.584 -0.021 0.000 1.187 284 A CA 1.068 53.092 52.037 -0.022 0.000 0.614 284 A CB -0.234 18.753 19.000 -0.022 0.000 0.826 284 A HN 0.093 nan 8.150 nan 0.000 0.442 285 V N -1.020 118.878 119.914 -0.027 0.000 2.535 285 V HA 0.365 4.498 4.120 0.022 0.000 0.246 285 V C 1.335 177.417 176.094 -0.021 0.000 1.045 285 V CA 1.004 63.291 62.300 -0.023 0.000 1.058 285 V CB -1.306 30.500 31.823 -0.028 0.000 0.689 285 V HN 1.279 nan 8.190 nan 0.000 0.461 286 G N 0.250 109.033 108.800 -0.027 0.000 2.697 286 G HA2 -0.125 3.848 3.960 0.022 0.000 0.686 286 G HA3 -0.125 3.848 3.960 0.022 0.000 0.686 286 G C 0.264 175.147 174.900 -0.028 0.000 1.179 286 G CA -0.027 45.058 45.100 -0.025 0.000 0.765 286 G HN 0.495 nan 8.290 nan 0.000 0.649 287 T N -1.325 113.212 114.554 -0.028 0.000 3.148 287 T HA 0.120 4.483 4.350 0.022 0.000 0.253 287 T C 1.916 176.599 174.700 -0.028 0.000 1.134 287 T CA 1.098 63.181 62.100 -0.029 0.000 1.051 287 T CB 0.086 68.938 68.868 -0.028 0.000 0.959 287 T HN 0.615 nan 8.240 nan 0.000 0.525 288 R N 1.354 121.839 120.500 -0.025 0.000 2.189 288 R HA 0.064 4.417 4.340 0.022 0.000 0.218 288 R C 0.797 177.078 176.300 -0.032 0.000 1.074 288 R CA 0.545 56.629 56.100 -0.026 0.000 0.991 288 R CB -0.100 30.188 30.300 -0.021 0.000 0.883 288 R HN 0.449 nan 8.270 nan 0.000 0.457 289 D N 0.978 121.361 120.400 -0.028 0.000 2.358 289 D HA -0.081 4.572 4.640 0.022 0.000 0.258 289 D C 0.717 176.985 176.300 -0.055 0.000 1.223 289 D CA 0.212 54.195 54.000 -0.028 0.000 0.886 289 D CB 1.337 42.138 40.800 0.001 0.000 1.120 289 D HN -0.029 nan 8.370 nan 0.000 0.482 290 E N 3.274 123.399 120.200 -0.124 0.000 2.153 290 E HA -0.214 4.149 4.350 0.022 0.000 0.194 290 E C 1.145 177.650 176.600 -0.158 0.000 0.988 290 E CA 1.647 57.944 56.400 -0.170 0.000 0.811 290 E CB -0.125 29.428 29.700 -0.246 0.000 0.746 290 E HN 0.686 nan 8.360 nan 0.000 0.466 291 H N -1.424 117.644 119.070 -0.003 0.000 2.428 291 H HA 0.006 4.575 4.556 0.022 0.000 0.296 291 H C 2.002 177.313 175.328 -0.028 0.000 1.062 291 H CA 1.093 57.143 56.048 0.002 0.000 1.350 291 H CB 0.286 30.053 29.762 0.007 0.000 1.403 291 H HN 0.012 nan 8.280 nan 0.000 0.533 292 V N 0.750 120.692 119.914 0.047 0.000 2.307 292 V HA -0.235 3.898 4.120 0.022 0.000 0.245 292 V C 2.406 178.478 176.094 -0.036 0.000 1.045 292 V CA 1.647 63.922 62.300 -0.041 0.000 1.024 292 V CB -0.346 31.447 31.823 -0.050 0.000 0.651 292 V HN 0.374 nan 8.190 nan 0.000 0.449 293 R N -0.060 120.429 120.500 -0.019 0.000 2.080 293 R HA -0.196 4.157 4.340 0.022 0.000 0.236 293 R C 2.422 178.732 176.300 0.017 0.000 1.137 293 R CA 1.769 57.862 56.100 -0.010 0.000 0.943 293 R CB -0.709 29.580 30.300 -0.018 0.000 0.846 293 R HN 0.541 nan 8.270 nan 0.000 0.431 294 A N 0.361 123.201 122.820 0.033 0.000 1.933 294 A HA -0.079 4.254 4.320 0.022 0.000 0.218 294 A C 2.347 180.004 177.584 0.121 0.000 1.175 294 A CA 1.784 53.864 52.037 0.072 0.000 0.628 294 A CB -0.984 18.067 19.000 0.085 0.000 0.814 294 A HN 0.505 nan 8.150 nan 0.000 0.444 295 G N -0.080 108.795 108.800 0.125 0.000 2.433 295 G HA2 -0.180 3.793 3.960 0.022 0.000 0.216 295 G HA3 -0.180 3.793 3.960 0.022 0.000 0.216 295 G C 1.560 176.571 174.900 0.185 0.000 1.186 295 G CA 1.055 46.282 45.100 0.210 0.000 0.779 295 G HN 0.425 nan 8.290 nan 0.000 0.543 296 L N 0.379 121.629 121.223 0.044 0.000 2.046 296 L HA -0.086 4.267 4.340 0.022 0.000 0.208 296 L C 3.204 180.138 176.870 0.107 0.000 1.077 296 L CA 1.528 56.405 54.840 0.062 0.000 0.747 296 L CB -0.730 41.329 42.059 0.000 0.000 0.896 296 L HN 0.191 nan 8.230 nan 0.000 0.432 297 T N -0.146 114.461 114.554 0.088 0.000 2.746 297 T HA -0.158 4.205 4.350 0.022 0.000 0.267 297 T C 2.009 176.775 174.700 0.109 0.000 1.039 297 T CA 1.324 63.474 62.100 0.082 0.000 1.142 297 T CB -0.208 68.695 68.868 0.059 0.000 0.866 297 T HN 0.446 nan 8.240 nan 0.000 0.444 298 A N 1.207 124.108 122.820 0.135 0.000 1.902 298 A HA -0.008 4.325 4.320 0.022 0.000 0.217 298 A C 2.226 179.901 177.584 0.151 0.000 1.181 298 A CA 1.180 53.297 52.037 0.133 0.000 0.623 298 A CB -0.831 18.257 19.000 0.146 0.000 0.818 298 A HN 0.385 nan 8.150 nan 0.000 0.443 299 L N 0.178 121.540 121.223 0.232 0.000 2.042 299 L HA -0.172 4.181 4.340 0.022 0.000 0.210 299 L C 2.293 179.343 176.870 0.300 0.000 1.076 299 L CA 2.545 57.549 54.840 0.274 0.000 0.749 299 L CB -0.636 41.660 42.059 0.396 0.000 0.893 299 L HN 0.617 nan 8.230 nan 0.000 0.432 300 E N -0.744 119.603 120.200 0.246 0.000 2.118 300 E HA -0.263 4.100 4.350 0.022 0.000 0.195 300 E C 2.275 178.993 176.600 0.197 0.000 0.992 300 E CA 1.128 57.667 56.400 0.232 0.000 0.804 300 E CB -0.013 29.760 29.700 0.121 0.000 0.741 300 E HN 0.489 nan 8.360 nan 0.000 0.458 301 R N -0.123 120.455 120.500 0.130 0.000 2.120 301 R HA -0.100 4.253 4.340 0.022 0.000 0.234 301 R C 2.419 178.752 176.300 0.055 0.000 1.123 301 R CA 1.097 57.247 56.100 0.083 0.000 0.975 301 R CB -0.134 30.202 30.300 0.060 0.000 0.866 301 R HN 0.124 nan 8.270 nan 0.000 0.446 302 V N 0.498 120.430 119.914 0.029 0.000 2.343 302 V HA -0.242 3.891 4.120 0.022 0.000 0.247 302 V C 1.892 177.895 176.094 -0.151 0.000 1.051 302 V CA 1.791 64.035 62.300 -0.094 0.000 1.036 302 V CB -0.514 31.193 31.823 -0.193 0.000 0.654 302 V HN 0.151 nan 8.190 nan 0.000 0.451 303 F N 0.443 120.398 119.950 0.008 0.000 2.186 303 F HA -0.109 4.431 4.527 0.022 0.000 0.299 303 F C 2.398 178.169 175.800 -0.048 0.000 1.090 303 F CA 1.908 59.887 58.000 -0.036 0.000 1.307 303 F CB -0.446 38.510 39.000 -0.073 0.000 1.019 303 F HN 0.031 nan 8.300 nan 0.000 0.489 304 K N 0.305 120.789 120.400 0.140 0.000 2.032 304 K HA -0.182 4.151 4.320 0.022 0.000 0.209 304 K C 2.224 178.849 176.600 0.041 0.000 1.048 304 K CA 1.483 57.814 56.287 0.073 0.000 0.927 304 K CB -0.592 31.948 32.500 0.067 0.000 0.712 304 K HN 0.146 nan 8.250 nan 0.000 0.441 305 V N 1.250 121.183 119.914 0.032 0.000 2.407 305 V HA -0.191 3.942 4.120 0.022 0.000 0.248 305 V C 2.014 178.139 176.094 0.053 0.000 1.055 305 V CA 1.503 63.821 62.300 0.030 0.000 1.049 305 V CB -0.200 31.630 31.823 0.012 0.000 0.662 305 V HN 0.353 nan 8.190 nan 0.000 0.455 306 L N -0.830 120.413 121.223 0.034 0.000 2.083 306 L HA -0.180 4.173 4.340 0.022 0.000 0.209 306 L C 2.377 179.308 176.870 0.101 0.000 1.083 306 L CA 1.639 56.532 54.840 0.088 0.000 0.752 306 L CB -0.425 41.663 42.059 0.048 0.000 0.899 306 L HN 0.319 nan 8.230 nan 0.000 0.433 307 L N -0.887 120.330 121.223 -0.009 0.000 2.141 307 L HA -0.146 4.207 4.340 0.022 0.000 0.209 307 L C 2.628 179.463 176.870 -0.058 0.000 1.094 307 L CA 0.951 55.715 54.840 -0.127 0.000 0.763 307 L CB -0.376 41.544 42.059 -0.232 0.000 0.908 307 L HN 0.173 nan 8.230 nan 0.000 0.437 308 R N -0.935 119.572 120.500 0.012 0.000 2.235 308 R HA -0.124 4.229 4.340 0.022 0.000 0.213 308 R C 2.083 178.422 176.300 0.066 0.000 1.059 308 R CA 1.037 57.152 56.100 0.026 0.000 0.997 308 R CB -0.117 30.205 30.300 0.037 0.000 0.884 308 R HN 0.296 nan 8.270 nan 0.000 0.462 309 F N 0.873 120.808 119.950 -0.025 0.000 2.147 309 F HA 0.035 4.574 4.527 0.021 0.000 0.291 309 F C 2.338 178.143 175.800 0.009 0.000 1.093 309 F CA 0.962 58.957 58.000 -0.008 0.000 1.263 309 F CB -0.163 38.824 39.000 -0.023 0.000 1.036 309 F HN -0.305 nan 8.300 nan 0.000 0.481 310 R N 0.497 120.748 120.500 -0.415 0.000 2.075 310 R HA -0.021 4.332 4.340 0.022 0.000 0.232 310 R C 2.353 178.459 176.300 -0.323 0.000 1.126 310 R CA 1.290 57.057 56.100 -0.555 0.000 0.963 310 R CB -0.625 29.571 30.300 -0.173 0.000 0.858 310 R HN 0.421 nan 8.270 nan 0.000 0.435 311 A N 1.249 123.949 122.820 -0.201 0.000 1.858 311 A HA -0.030 4.303 4.320 0.022 0.000 0.216 311 A C -0.488 177.017 177.584 -0.131 0.000 1.190 311 A CA 1.002 52.970 52.037 -0.114 0.000 0.617 311 A CB -1.375 17.601 19.000 -0.040 0.000 0.827 311 A HN 0.323 nan 8.150 nan 0.000 0.443 312 P HA -0.177 nan 4.420 nan 0.000 0.218 312 P C 1.504 178.705 177.300 -0.166 0.000 1.149 312 P CA 1.395 64.391 63.100 -0.174 0.000 0.817 312 P CB -0.297 31.313 31.700 -0.151 0.000 0.785 313 H N 0.020 118.895 119.070 -0.325 0.000 2.353 313 H HA -0.114 4.455 4.556 0.022 0.000 0.300 313 H C 1.804 177.014 175.328 -0.197 0.000 1.090 313 H CA 1.209 57.067 56.048 -0.317 0.000 1.327 313 H CB -0.572 28.793 29.762 -0.663 0.000 1.383 313 H HN -0.046 nan 8.280 nan 0.000 0.508 314 L N 1.709 122.828 121.223 -0.173 0.000 2.042 314 L HA -0.152 4.201 4.340 0.022 0.000 0.210 314 L C 2.373 179.160 176.870 -0.139 0.000 1.076 314 L CA 1.706 56.458 54.840 -0.147 0.000 0.749 314 L CB -0.482 41.532 42.059 -0.075 0.000 0.893 314 L HN 0.097 nan 8.230 nan 0.000 0.432 315 K N -0.841 119.490 120.400 -0.115 0.000 2.057 315 K HA -0.179 4.154 4.320 0.022 0.000 0.207 315 K C 2.065 178.681 176.600 0.027 0.000 1.049 315 K CA 1.560 57.814 56.287 -0.055 0.000 0.931 315 K CB -0.558 31.879 32.500 -0.105 0.000 0.714 315 K HN 0.281 nan 8.250 nan 0.000 0.440 316 L N 1.368 122.594 121.223 0.004 0.000 2.013 316 L HA -0.214 4.139 4.340 0.022 0.000 0.212 316 L C 2.266 179.092 176.870 -0.073 0.000 1.073 316 L CA 2.057 56.937 54.840 0.067 0.000 0.753 316 L CB -0.630 41.422 42.059 -0.012 0.000 0.890 316 L HN 0.139 nan 8.230 nan 0.000 0.432 317 A N -1.031 121.661 122.820 -0.213 0.000 1.898 317 A HA -0.204 4.129 4.320 0.022 0.000 0.216 317 A C 2.181 179.804 177.584 0.065 0.000 1.181 317 A CA 1.703 53.667 52.037 -0.121 0.000 0.620 317 A CB -0.659 18.170 19.000 -0.285 0.000 0.819 317 A HN 0.618 nan 8.150 nan 0.000 0.442 318 E N -0.840 119.361 120.200 0.001 0.000 2.077 318 E HA -0.201 4.162 4.350 0.022 0.000 0.193 318 E C 2.308 178.945 176.600 0.061 0.000 0.989 318 E CA 1.116 57.539 56.400 0.039 0.000 0.800 318 E CB -0.149 29.552 29.700 0.001 0.000 0.746 318 E HN 0.584 nan 8.360 nan 0.000 0.452 319 R N 0.533 121.062 120.500 0.048 0.000 2.081 319 R HA -0.126 4.227 4.340 0.022 0.000 0.235 319 R C 2.231 178.533 176.300 0.003 0.000 1.131 319 R CA 1.302 57.415 56.100 0.022 0.000 0.960 319 R CB -0.153 30.157 30.300 0.017 0.000 0.856 319 R HN 0.130 nan 8.270 nan 0.000 0.436 320 A N -0.307 122.536 122.820 0.037 0.000 1.898 320 A HA -0.152 4.181 4.320 0.022 0.000 0.216 320 A C 1.727 179.291 177.584 -0.033 0.000 1.181 320 A CA 1.065 53.136 52.037 0.057 0.000 0.620 320 A CB -0.601 18.442 19.000 0.072 0.000 0.819 320 A HN 0.473 nan 8.150 nan 0.000 0.442 321 Y N -0.737 119.564 120.300 0.002 0.000 2.519 321 Y HA 0.038 4.603 4.550 0.026 0.000 0.287 321 Y C 2.200 177.958 175.900 -0.237 0.000 1.128 321 Y CA 1.154 59.212 58.100 -0.071 0.000 1.282 321 Y CB 0.040 38.538 38.460 0.064 0.000 1.027 321 Y HN 0.391 nan 8.280 nan 0.000 0.551 322 E N 0.056 120.217 120.200 -0.065 0.000 2.418 322 E HA -0.026 4.337 4.350 0.022 0.000 0.197 322 E C 0.650 177.124 176.600 -0.211 0.000 1.026 322 E CA 0.201 56.538 56.400 -0.104 0.000 0.862 322 E CB -0.044 29.628 29.700 -0.047 0.000 0.799 322 E HN 0.073 nan 8.360 nan 0.000 0.518 337 P HA 0.128 nan 4.420 nan 0.000 0.263 337 P C 1.128 178.378 177.300 -0.084 0.000 1.175 337 P CA 0.603 63.623 63.100 -0.134 0.000 0.761 337 P CB 0.854 32.472 31.700 -0.137 0.000 0.794 338 S N 2.246 117.919 115.700 -0.045 0.000 2.419 338 S HA -0.187 4.296 4.470 0.022 0.000 0.233 338 S C 1.690 176.271 174.600 -0.032 0.000 1.016 338 S CA 1.171 59.353 58.200 -0.029 0.000 0.974 338 S CB -0.487 62.708 63.200 -0.008 0.000 0.786 338 S HN 0.447 nan 8.310 nan 0.000 0.492 339 M N 1.354 120.929 119.600 -0.042 0.000 2.149 339 M HA -0.008 4.486 4.480 0.022 0.000 0.261 339 M C 1.605 177.836 176.300 -0.115 0.000 1.064 339 M CA 1.465 56.720 55.300 -0.074 0.000 1.102 339 M CB -0.605 31.937 32.600 -0.096 0.000 1.369 339 M HN 0.370 nan 8.290 nan 0.000 0.408 340 L N -1.300 119.865 121.223 -0.096 0.000 1.994 340 L HA -0.135 4.218 4.340 0.022 0.000 0.208 340 L C 2.472 179.312 176.870 -0.049 0.000 1.071 340 L CA 1.458 56.254 54.840 -0.074 0.000 0.745 340 L CB -1.632 40.403 42.059 -0.040 0.000 0.892 340 L HN 0.496 nan 8.230 nan 0.000 0.431 341 G N -0.563 108.216 108.800 -0.036 0.000 2.422 341 G HA2 -0.238 3.735 3.960 0.022 0.000 0.218 341 G HA3 -0.238 3.735 3.960 0.022 0.000 0.218 341 G C 1.419 176.317 174.900 -0.004 0.000 1.146 341 G CA 0.660 45.752 45.100 -0.013 0.000 0.769 341 G HN 0.425 nan 8.290 nan 0.000 0.547 342 E N -0.462 119.732 120.200 -0.011 0.000 2.072 342 E HA -0.066 4.298 4.350 0.022 0.000 0.191 342 E C 2.354 178.954 176.600 0.000 0.000 0.985 342 E CA 0.586 56.988 56.400 0.004 0.000 0.801 342 E CB -0.156 29.554 29.700 0.017 0.000 0.750 342 E HN 0.319 nan 8.360 nan 0.000 0.452 343 L N 0.905 122.116 121.223 -0.020 0.000 2.093 343 L HA -0.113 4.240 4.340 0.022 0.000 0.208 343 L C 2.097 178.956 176.870 -0.017 0.000 1.085 343 L CA 1.128 55.970 54.840 0.002 0.000 0.755 343 L CB -0.390 41.657 42.059 -0.021 0.000 0.904 343 L HN 0.138 nan 8.230 nan 0.000 0.435 344 L N -0.955 120.250 121.223 -0.029 0.000 2.017 344 L HA -0.195 4.158 4.340 0.022 0.000 0.208 344 L C 2.336 179.204 176.870 -0.004 0.000 1.073 344 L CA 2.413 57.220 54.840 -0.055 0.000 0.745 344 L CB -1.178 40.880 42.059 -0.002 0.000 0.894 344 L HN 0.311 nan 8.230 nan 0.000 0.432 345 T N -0.109 114.479 114.554 0.057 0.000 2.720 345 T HA -0.189 4.174 4.350 0.022 0.000 0.268 345 T C 1.997 176.685 174.700 -0.021 0.000 1.037 345 T CA 1.807 63.955 62.100 0.080 0.000 1.144 345 T CB -0.364 68.524 68.868 0.034 0.000 0.864 345 T HN 0.302 nan 8.240 nan 0.000 0.444 346 L N 0.757 121.920 121.223 -0.100 0.000 2.083 346 L HA -0.126 4.227 4.340 0.022 0.000 0.209 346 L C 2.886 179.431 176.870 -0.542 0.000 1.083 346 L CA 1.224 55.917 54.840 -0.244 0.000 0.752 346 L CB -1.030 40.923 42.059 -0.176 0.000 0.899 346 L HN 0.318 nan 8.230 nan 0.000 0.433 347 T N -1.606 112.653 114.554 -0.490 0.000 2.737 347 T HA -0.186 4.177 4.350 0.022 0.000 0.265 347 T C 1.734 176.179 174.700 -0.426 0.000 1.038 347 T CA 1.193 62.944 62.100 -0.582 0.000 1.144 347 T CB -0.420 68.242 68.868 -0.342 0.000 0.866 347 T HN 0.233 nan 8.240 nan 0.000 0.434 348 Y N 1.548 121.707 120.300 -0.236 0.000 2.165 348 Y HA -0.149 4.414 4.550 0.022 0.000 0.286 348 Y C 2.852 178.604 175.900 -0.248 0.000 1.155 348 Y CA 0.875 58.860 58.100 -0.193 0.000 1.164 348 Y CB -0.414 37.966 38.460 -0.134 0.000 0.978 348 Y HN 0.213 nan 8.280 nan 0.000 0.513 349 A N -0.043 122.712 122.820 -0.107 0.000 1.933 349 A HA -0.152 4.181 4.320 0.022 0.000 0.218 349 A C 2.386 179.797 177.584 -0.288 0.000 1.175 349 A CA 1.597 53.537 52.037 -0.163 0.000 0.628 349 A CB -1.186 17.732 19.000 -0.137 0.000 0.814 349 A HN 0.436 nan 8.150 nan 0.000 0.444 350 A N -0.203 122.329 122.820 -0.480 0.000 1.883 350 A HA -0.198 4.135 4.320 0.022 0.000 0.217 350 A C 2.271 179.319 177.584 -0.893 0.000 1.186 350 A CA 1.817 53.436 52.037 -0.697 0.000 0.624 350 A CB -0.549 17.859 19.000 -0.988 0.000 0.822 350 A HN 0.544 nan 8.150 nan 0.000 0.444 351 R N -0.227 119.791 120.500 -0.804 0.000 2.091 351 R HA -0.118 4.235 4.340 0.022 0.000 0.238 351 R C 2.337 178.447 176.300 -0.317 0.000 1.136 351 R CA 1.757 57.507 56.100 -0.584 0.000 0.959 351 R CB -0.340 29.833 30.300 -0.213 0.000 0.856 351 R HN 0.495 nan 8.270 nan 0.000 0.437 352 S N 0.387 115.954 115.700 -0.221 0.000 2.387 352 S HA -0.152 4.331 4.470 0.022 0.000 0.230 352 S C 1.784 176.296 174.600 -0.146 0.000 1.035 352 S CA 1.443 59.559 58.200 -0.139 0.000 1.014 352 S CB -0.214 62.924 63.200 -0.105 0.000 0.836 352 S HN 0.421 nan 8.310 nan 0.000 0.466 353 R N 0.427 120.811 120.500 -0.194 0.000 2.081 353 R HA -0.057 4.296 4.340 0.022 0.000 0.235 353 R C 2.237 178.457 176.300 -0.135 0.000 1.131 353 R CA 1.403 57.411 56.100 -0.152 0.000 0.960 353 R CB -0.657 29.547 30.300 -0.160 0.000 0.856 353 R HN 0.274 nan 8.270 nan 0.000 0.436 354 V N 1.088 120.889 119.914 -0.187 0.000 2.343 354 V HA -0.244 3.889 4.120 0.022 0.000 0.247 354 V C 2.284 178.340 176.094 -0.064 0.000 1.051 354 V CA 1.749 63.984 62.300 -0.108 0.000 1.036 354 V CB -0.535 31.230 31.823 -0.097 0.000 0.654 354 V HN 0.307 nan 8.190 nan 0.000 0.451 355 R N 0.422 120.877 120.500 -0.075 0.000 2.081 355 R HA -0.106 4.247 4.340 0.022 0.000 0.235 355 R C 2.450 178.725 176.300 -0.042 0.000 1.131 355 R CA 1.459 57.531 56.100 -0.045 0.000 0.960 355 R CB -0.651 29.623 30.300 -0.044 0.000 0.856 355 R HN 0.532 nan 8.270 nan 0.000 0.436 356 A N 1.392 124.180 122.820 -0.054 0.000 1.972 356 A HA -0.083 4.250 4.320 0.022 0.000 0.219 356 A C 2.325 179.886 177.584 -0.038 0.000 1.169 356 A CA 1.590 53.600 52.037 -0.045 0.000 0.635 356 A CB -0.477 18.493 19.000 -0.050 0.000 0.810 356 A HN 0.391 nan 8.150 nan 0.000 0.446 357 A N -0.861 121.935 122.820 -0.040 0.000 2.121 357 A HA 0.181 4.514 4.320 0.022 0.000 0.218 357 A C 1.650 179.217 177.584 -0.028 0.000 1.154 357 A CA 0.981 52.997 52.037 -0.035 0.000 0.679 357 A CB -0.371 18.606 19.000 -0.037 0.000 0.795 357 A HN 0.446 nan 8.150 nan 0.000 0.458 358 L N -0.270 120.938 121.223 -0.025 0.000 2.741 358 L HA 0.247 4.600 4.340 0.022 0.000 0.237 358 L C -0.345 176.514 176.870 -0.018 0.000 1.178 358 L CA -0.152 54.678 54.840 -0.018 0.000 0.973 358 L CB 0.039 42.092 42.059 -0.010 0.000 1.255 358 L HN 0.240 nan 8.230 nan 0.000 0.498 359 D N 0.000 120.387 120.400 -0.021 0.000 6.856 359 D HA 0.000 4.653 4.640 0.022 0.000 0.175 359 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 359 D CB 0.000 40.787 40.800 -0.021 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683