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 2x67_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 XXXXXEIGSG GYAPSMLGEL LTLTYAARSR DATA SEQUENCE VRAAL 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 0.000 174.656 174.700 -0.073 0.000 1.109 4 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 4 T CB 0.000 68.822 68.868 -0.077 0.000 0.612 5 L N 3.953 125.104 121.223 -0.119 0.000 2.796 5 L HA 0.397 4.749 4.340 0.020 0.000 0.235 5 L C 0.861 177.791 176.870 0.099 0.000 1.344 5 L CA 0.128 54.856 54.840 -0.187 0.000 1.245 5 L CB -0.492 41.341 42.059 -0.377 0.000 1.556 5 L HN 0.176 nan 8.230 nan 0.000 0.423 6 D N 0.242 120.723 120.400 0.136 0.000 2.158 6 D HA -0.205 4.447 4.640 0.020 0.000 0.197 6 D C 1.960 178.358 176.300 0.164 0.000 0.995 6 D CA 1.251 55.324 54.000 0.123 0.000 0.846 6 D CB 0.238 41.091 40.800 0.088 0.000 0.941 6 D HN 0.363 nan 8.370 nan 0.000 0.456 7 R N 0.114 120.778 120.500 0.273 0.000 2.237 7 R HA -0.016 4.336 4.340 0.020 0.000 0.219 7 R C 2.256 178.726 176.300 0.283 0.000 1.080 7 R CA 0.104 56.326 56.100 0.203 0.000 0.995 7 R CB -0.101 30.252 30.300 0.088 0.000 0.875 7 R HN 0.082 nan 8.270 nan 0.000 0.462 8 V N 0.443 120.566 119.914 0.349 0.000 2.392 8 V HA -0.201 3.931 4.120 0.020 0.000 0.249 8 V C 2.371 178.594 176.094 0.215 0.000 1.059 8 V CA 2.157 64.651 62.300 0.323 0.000 1.051 8 V CB -0.756 31.207 31.823 0.233 0.000 0.658 8 V HN 0.540 nan 8.190 nan 0.000 0.455 9 G N -0.709 108.159 108.800 0.115 0.000 2.446 9 G HA2 -0.254 3.718 3.960 0.020 0.000 0.217 9 G HA3 -0.254 3.718 3.960 0.020 0.000 0.217 9 G C 1.807 176.695 174.900 -0.019 0.000 1.168 9 G CA 1.181 46.307 45.100 0.045 0.000 0.771 9 G HN 0.397 nan 8.290 nan 0.000 0.551 10 V N 0.056 119.903 119.914 -0.111 0.000 2.343 10 V HA -0.103 4.029 4.120 0.020 0.000 0.247 10 V C 2.581 178.491 176.094 -0.308 0.000 1.051 10 V CA 2.012 64.160 62.300 -0.253 0.000 1.036 10 V CB -0.503 31.086 31.823 -0.389 0.000 0.654 10 V HN 0.309 nan 8.190 nan 0.000 0.451 11 F N 1.215 121.109 119.950 -0.094 0.000 2.102 11 F HA -0.051 4.488 4.527 0.020 0.000 0.298 11 F C 2.580 178.135 175.800 -0.408 0.000 1.105 11 F CA 1.719 59.593 58.000 -0.211 0.000 1.239 11 F CB -1.401 37.540 39.000 -0.099 0.000 0.991 11 F HN 0.232 nan 8.300 nan 0.000 0.474 12 A N 0.035 122.872 122.820 0.028 0.000 1.940 12 A HA -0.091 4.241 4.320 0.020 0.000 0.219 12 A C 2.399 179.997 177.584 0.024 0.000 1.176 12 A CA 1.813 53.896 52.037 0.075 0.000 0.631 12 A CB -1.288 17.790 19.000 0.129 0.000 0.814 12 A HN 0.325 nan 8.150 nan 0.000 0.446 13 A N -0.286 122.518 122.820 -0.026 0.000 1.930 13 A HA -0.069 4.263 4.320 0.020 0.000 0.217 13 A C 2.430 179.997 177.584 -0.029 0.000 1.175 13 A CA 2.368 54.391 52.037 -0.023 0.000 0.627 13 A CB -1.311 17.660 19.000 -0.048 0.000 0.815 13 A HN 0.772 nan 8.150 nan 0.000 0.443 14 T N -2.354 112.146 114.554 -0.090 0.000 2.821 14 T HA -0.190 4.172 4.350 0.020 0.000 0.267 14 T C 1.639 176.402 174.700 0.105 0.000 1.046 14 T CA 1.703 63.779 62.100 -0.040 0.000 1.139 14 T CB -0.795 68.040 68.868 -0.055 0.000 0.871 14 T HN 0.714 nan 8.240 nan 0.000 0.454 15 H N 1.486 120.711 119.070 0.258 0.000 2.357 15 H HA 0.300 4.868 4.556 0.021 0.000 0.301 15 H C 2.808 178.271 175.328 0.225 0.000 1.082 15 H CA 0.710 56.990 56.048 0.385 0.000 1.342 15 H CB -0.273 29.705 29.762 0.361 0.000 1.389 15 H HN 0.523 nan 8.280 nan 0.000 0.511 16 A N 1.326 124.293 122.820 0.245 0.000 1.978 16 A HA -0.152 4.180 4.320 0.020 0.000 0.220 16 A C 2.529 180.150 177.584 0.061 0.000 1.170 16 A CA 1.336 53.453 52.037 0.134 0.000 0.636 16 A CB -0.878 18.173 19.000 0.085 0.000 0.810 16 A HN 0.489 nan 8.150 nan 0.000 0.448 17 A N -0.535 122.303 122.820 0.030 0.000 1.933 17 A HA 0.004 4.336 4.320 0.020 0.000 0.218 17 A C 2.198 179.730 177.584 -0.087 0.000 1.175 17 A CA 1.860 53.879 52.037 -0.030 0.000 0.628 17 A CB -0.767 18.210 19.000 -0.038 0.000 0.814 17 A HN 0.421 nan 8.150 nan 0.000 0.444 18 V N -0.340 119.492 119.914 -0.136 0.000 2.407 18 V HA -0.140 3.992 4.120 0.020 0.000 0.245 18 V C 3.008 179.038 176.094 -0.107 0.000 1.041 18 V CA 1.562 63.695 62.300 -0.278 0.000 1.040 18 V CB -1.331 30.047 31.823 -0.740 0.000 0.671 18 V HN 0.578 nan 8.190 nan 0.000 0.455 19 A N 0.409 123.245 122.820 0.027 0.000 1.948 19 A HA -0.166 4.166 4.320 0.020 0.000 0.220 19 A C 2.280 179.866 177.584 0.003 0.000 1.177 19 A CA 2.211 54.285 52.037 0.062 0.000 0.636 19 A CB -0.664 18.403 19.000 0.112 0.000 0.815 19 A HN 0.615 nan 8.150 nan 0.000 0.449 20 A N -1.158 121.651 122.820 -0.018 0.000 2.169 20 A HA 0.305 4.637 4.320 0.020 0.000 0.212 20 A C 1.401 178.947 177.584 -0.064 0.000 1.153 20 A CA 0.847 52.864 52.037 -0.034 0.000 0.756 20 A CB -0.362 18.621 19.000 -0.028 0.000 0.813 20 A HN 0.423 nan 8.150 nan 0.000 0.471 21 S N 0.403 116.046 115.700 -0.096 0.000 2.489 21 S HA 0.380 4.862 4.470 0.020 0.000 0.277 21 S C -0.857 173.659 174.600 -0.140 0.000 1.230 21 S CA -0.470 57.645 58.200 -0.141 0.000 1.053 21 S CB 0.694 63.766 63.200 -0.214 0.000 0.955 21 S HN 0.275 nan 8.310 nan 0.000 0.488 22 D N 4.853 125.174 120.400 -0.133 0.000 2.613 22 D HA 0.358 5.010 4.640 0.020 0.000 0.312 22 D C -1.544 174.686 176.300 -0.117 0.000 1.202 22 D CA -1.746 52.180 54.000 -0.123 0.000 0.825 22 D CB 1.044 41.786 40.800 -0.096 0.000 1.113 22 D HN 0.329 nan 8.370 nan 0.000 0.502 23 P HA -0.026 nan 4.420 nan 0.000 0.223 23 P C 1.205 178.564 177.300 0.099 0.000 1.151 23 P CA 0.387 63.404 63.100 -0.138 0.000 0.787 23 P CB 0.562 31.889 31.700 -0.622 0.000 0.788 24 L N -0.833 120.435 121.223 0.075 0.000 2.628 24 L HA 0.176 4.528 4.340 0.020 0.000 0.229 24 L C 0.432 177.331 176.870 0.048 0.000 1.137 24 L CA -0.027 54.914 54.840 0.168 0.000 0.909 24 L CB -0.856 41.368 42.059 0.276 0.000 1.137 24 L HN -0.078 nan 8.230 nan 0.000 0.470 25 Q N -0.149 119.643 119.800 -0.014 0.000 2.439 25 Q HA -0.267 4.085 4.340 0.020 0.000 0.325 25 Q C 0.944 176.873 176.000 -0.119 0.000 1.372 25 Q CA 0.469 56.244 55.803 -0.046 0.000 0.909 25 Q CB -1.132 27.606 28.738 0.001 0.000 1.167 25 Q HN 0.599 nan 8.270 nan 0.000 0.418 26 A N -0.173 122.501 122.820 -0.244 0.000 2.390 26 A HA 0.094 4.426 4.320 0.020 0.000 0.232 26 A C 1.663 179.052 177.584 -0.325 0.000 1.233 26 A CA 0.469 52.217 52.037 -0.482 0.000 0.907 26 A CB 0.070 18.423 19.000 -1.078 0.000 0.967 26 A HN 0.441 nan 8.150 nan 0.000 0.512 27 R N 0.472 120.853 120.500 -0.198 0.000 2.136 27 R HA -0.242 4.110 4.340 0.020 0.000 0.242 27 R C 2.064 178.294 176.300 -0.117 0.000 1.131 27 R CA 2.172 58.186 56.100 -0.143 0.000 0.937 27 R CB -0.401 29.839 30.300 -0.101 0.000 0.863 27 R HN 0.403 nan 8.270 nan 0.000 0.435 28 A N 0.402 123.169 122.820 -0.087 0.000 2.067 28 A HA -0.040 4.292 4.320 0.020 0.000 0.219 28 A C 2.168 179.732 177.584 -0.034 0.000 1.158 28 A CA 0.972 52.977 52.037 -0.054 0.000 0.661 28 A CB -0.281 18.699 19.000 -0.033 0.000 0.801 28 A HN 0.385 nan 8.150 nan 0.000 0.452 29 L N -0.847 120.349 121.223 -0.046 0.000 2.095 29 L HA -0.090 4.262 4.340 0.020 0.000 0.204 29 L C 2.394 179.321 176.870 0.095 0.000 1.080 29 L CA 0.824 55.685 54.840 0.035 0.000 0.759 29 L CB -0.433 41.653 42.059 0.044 0.000 0.914 29 L HN 0.225 nan 8.230 nan 0.000 0.439 30 V N 0.123 120.040 119.914 0.005 0.000 2.515 30 V HA -0.231 3.901 4.120 0.020 0.000 0.250 30 V C 2.378 178.419 176.094 -0.088 0.000 1.058 30 V CA 1.167 63.487 62.300 0.034 0.000 1.064 30 V CB -0.456 31.328 31.823 -0.065 0.000 0.675 30 V HN 0.361 nan 8.190 nan 0.000 0.461 31 L N -0.185 120.982 121.223 -0.095 0.000 2.187 31 L HA -0.258 4.094 4.340 0.020 0.000 0.213 31 L C 2.518 179.350 176.870 -0.063 0.000 1.100 31 L CA 1.549 56.328 54.840 -0.101 0.000 0.765 31 L CB -0.621 41.391 42.059 -0.078 0.000 0.904 31 L HN 0.432 nan 8.230 nan 0.000 0.437 32 Q N -0.636 119.158 119.800 -0.010 0.000 2.435 32 Q HA -0.127 4.225 4.340 0.020 0.000 0.207 32 Q C 2.091 178.098 176.000 0.012 0.000 0.956 32 Q CA 0.416 56.229 55.803 0.018 0.000 0.917 32 Q CB 0.049 28.825 28.738 0.063 0.000 0.997 32 Q HN 0.357 nan 8.270 nan 0.000 0.497 33 L N 1.537 122.739 121.223 -0.034 0.000 2.017 33 L HA -0.061 4.291 4.340 0.020 0.000 0.208 33 L C -1.021 175.804 176.870 -0.074 0.000 1.073 33 L CA 1.864 56.645 54.840 -0.098 0.000 0.745 33 L CB -1.051 40.794 42.059 -0.356 0.000 0.894 33 L HN 0.005 nan 8.230 nan 0.000 0.432 34 P HA -0.152 nan 4.420 nan 0.000 0.216 34 P C 1.649 178.944 177.300 -0.008 0.000 1.154 34 P CA 1.994 65.052 63.100 -0.070 0.000 0.865 34 P CB -0.471 31.171 31.700 -0.097 0.000 0.789 35 G N -0.358 108.439 108.800 -0.005 0.000 2.418 35 G HA2 -0.229 3.743 3.960 0.020 0.000 0.217 35 G HA3 -0.229 3.743 3.960 0.020 0.000 0.217 35 G C 1.489 176.408 174.900 0.033 0.000 1.158 35 G CA 0.603 45.711 45.100 0.014 0.000 0.771 35 G HN 0.233 nan 8.290 nan 0.000 0.545 36 L N 0.387 121.634 121.223 0.040 0.000 2.093 36 L HA -0.062 4.290 4.340 0.020 0.000 0.208 36 L C 2.713 179.624 176.870 0.070 0.000 1.085 36 L CA 0.725 55.595 54.840 0.049 0.000 0.755 36 L CB -0.420 41.680 42.059 0.069 0.000 0.904 36 L HN 0.129 nan 8.230 nan 0.000 0.435 37 N N 0.317 119.101 118.700 0.139 0.000 2.142 37 N HA -0.184 4.568 4.740 0.020 0.000 0.186 37 N C 1.937 177.597 175.510 0.251 0.000 1.023 37 N CA 1.104 54.340 53.050 0.309 0.000 0.852 37 N CB -0.213 38.508 38.487 0.390 0.000 0.998 37 N HN 0.252 nan 8.380 nan 0.000 0.424 38 R N 0.873 121.460 120.500 0.144 0.000 2.105 38 R HA 0.022 4.374 4.340 0.020 0.000 0.239 38 R C 0.839 177.183 176.300 0.075 0.000 1.135 38 R CA 1.166 57.329 56.100 0.104 0.000 0.967 38 R CB 0.058 30.394 30.300 0.060 0.000 0.861 38 R HN 0.197 nan 8.270 nan 0.000 0.442 39 N N 0.816 119.544 118.700 0.047 0.000 2.398 39 N HA -0.020 4.732 4.740 0.020 0.000 0.188 39 N C -0.441 175.054 175.510 -0.025 0.000 1.122 39 N CA 0.410 53.469 53.050 0.015 0.000 0.866 39 N CB 0.427 38.919 38.487 0.007 0.000 0.970 39 N HN 0.141 nan 8.380 nan 0.000 0.462 40 K N 0.775 121.141 120.400 -0.058 0.000 3.071 40 K HA -0.185 4.147 4.320 0.020 0.000 0.262 40 K C -0.639 175.790 176.600 -0.285 0.000 0.977 40 K CA 0.464 56.575 56.287 -0.294 0.000 0.721 40 K CB -1.186 31.248 32.500 -0.109 0.000 1.293 40 K HN 0.140 nan 8.250 nan 0.000 0.475 41 D N 0.940 121.226 120.400 -0.190 0.000 2.517 41 D HA 0.146 4.798 4.640 0.020 0.000 0.220 41 D C 0.994 177.232 176.300 -0.103 0.000 1.158 41 D CA -0.250 53.689 54.000 -0.102 0.000 0.992 41 D CB 0.660 41.439 40.800 -0.035 0.000 1.058 41 D HN -0.014 nan 8.370 nan 0.000 0.516 42 V N 4.675 124.511 119.914 -0.129 0.000 2.295 42 V HA -0.134 3.998 4.120 0.020 0.000 0.246 42 V C -0.653 175.416 176.094 -0.042 0.000 1.049 42 V CA 1.436 63.688 62.300 -0.081 0.000 1.024 42 V CB -1.067 30.709 31.823 -0.077 0.000 0.648 42 V HN 0.457 nan 8.190 nan 0.000 0.447 43 P HA -0.126 nan 4.420 nan 0.000 0.215 43 P C 1.708 179.009 177.300 0.002 0.000 1.153 43 P CA 1.876 64.957 63.100 -0.031 0.000 0.853 43 P CB -0.332 31.349 31.700 -0.031 0.000 0.788 44 G N -0.502 108.306 108.800 0.013 0.000 2.422 44 G HA2 -0.221 3.751 3.960 0.020 0.000 0.218 44 G HA3 -0.221 3.751 3.960 0.020 0.000 0.218 44 G C 1.526 176.485 174.900 0.098 0.000 1.146 44 G CA 0.470 45.597 45.100 0.044 0.000 0.769 44 G HN 0.234 nan 8.290 nan 0.000 0.547 45 I N 0.306 120.948 120.570 0.119 0.000 2.226 45 I HA -0.157 4.025 4.170 0.020 0.000 0.245 45 I C 2.767 179.037 176.117 0.254 0.000 1.100 45 I CA 0.489 61.938 61.300 0.247 0.000 1.374 45 I CB -0.219 37.927 38.000 0.243 0.000 1.057 45 I HN 0.026 nan 8.210 nan 0.000 0.413 46 V N 0.983 120.968 119.914 0.120 0.000 2.295 46 V HA -0.240 3.893 4.120 0.020 0.000 0.246 46 V C 2.594 178.676 176.094 -0.019 0.000 1.049 46 V CA 2.269 64.590 62.300 0.036 0.000 1.024 46 V CB -1.468 30.353 31.823 -0.005 0.000 0.648 46 V HN 0.582 nan 8.190 nan 0.000 0.447 47 G N -0.268 108.535 108.800 0.005 0.000 2.418 47 G HA2 -0.261 3.711 3.960 0.020 0.000 0.217 47 G HA3 -0.261 3.711 3.960 0.020 0.000 0.217 47 G C 1.577 176.472 174.900 -0.008 0.000 1.158 47 G CA 1.166 46.260 45.100 -0.010 0.000 0.771 47 G HN 0.419 nan 8.290 nan 0.000 0.545 48 L N 0.301 121.562 121.223 0.063 0.000 1.989 48 L HA -0.004 4.348 4.340 0.020 0.000 0.211 48 L C 2.572 179.382 176.870 -0.100 0.000 1.071 48 L CA 1.790 56.702 54.840 0.120 0.000 0.749 48 L CB -0.741 41.518 42.059 0.334 0.000 0.890 48 L HN 0.208 nan 8.230 nan 0.000 0.431 49 L N -0.145 120.823 121.223 -0.426 0.000 2.043 49 L HA -0.229 4.123 4.340 0.020 0.000 0.212 49 L C 2.622 179.006 176.870 -0.811 0.000 1.075 49 L CA 1.825 56.024 54.840 -1.070 0.000 0.752 49 L CB -0.672 40.833 42.059 -0.922 0.000 0.891 49 L HN 0.259 nan 8.230 nan 0.000 0.432 50 R N -0.440 119.821 120.500 -0.399 0.000 2.237 50 R HA -0.101 4.251 4.340 0.020 0.000 0.219 50 R C 2.052 178.239 176.300 -0.188 0.000 1.080 50 R CA 1.054 56.992 56.100 -0.271 0.000 0.995 50 R CB -0.223 29.983 30.300 -0.155 0.000 0.875 50 R HN 0.551 nan 8.270 nan 0.000 0.462 51 E N -0.287 119.839 120.200 -0.124 0.000 2.265 51 E HA -0.178 4.184 4.350 0.020 0.000 0.196 51 E C 0.828 177.485 176.600 0.096 0.000 0.996 51 E CA 1.192 57.601 56.400 0.016 0.000 0.832 51 E CB 0.131 29.891 29.700 0.100 0.000 0.756 51 E HN 0.491 nan 8.360 nan 0.000 0.491 52 F N -1.691 118.211 119.950 -0.080 0.000 2.856 52 F HA 0.288 4.826 4.527 0.017 0.000 0.338 52 F C 0.134 175.910 175.800 -0.041 0.000 1.100 52 F CA -0.863 57.108 58.000 -0.048 0.000 1.150 52 F CB 0.066 39.045 39.000 -0.034 0.000 1.101 52 F HN -0.230 nan 8.300 nan 0.000 0.548 53 L N 4.914 125.864 121.223 -0.454 0.000 2.462 53 L HA 0.454 4.806 4.340 0.020 0.000 0.272 53 L C -2.422 174.380 176.870 -0.113 0.000 1.166 53 L CA -1.934 52.704 54.840 -0.336 0.000 0.880 53 L CB -0.050 41.764 42.059 -0.408 0.000 1.142 53 L HN -0.105 nan 8.230 nan 0.000 0.473 54 P HA 0.054 nan 4.420 nan 0.000 0.268 54 P C 0.359 177.620 177.300 -0.065 0.000 1.204 54 P CA -0.134 62.943 63.100 -0.038 0.000 0.768 54 P CB 0.825 32.498 31.700 -0.044 0.000 0.842 55 V N 0.984 120.860 119.914 -0.064 0.000 3.635 55 V HA 0.274 4.406 4.120 0.020 0.000 0.266 55 V C 1.250 177.307 176.094 -0.062 0.000 1.316 55 V CA 0.502 62.764 62.300 -0.062 0.000 1.060 55 V CB -0.497 31.292 31.823 -0.056 0.000 0.820 55 V HN 0.285 nan 8.190 nan 0.000 0.447 56 R N 1.507 121.964 120.500 -0.072 0.000 2.466 56 R HA 0.556 4.909 4.340 0.020 0.000 0.279 56 R C 0.889 177.131 176.300 -0.096 0.000 0.976 56 R CA 0.546 56.602 56.100 -0.075 0.000 1.081 56 R CB 0.516 30.773 30.300 -0.072 0.000 1.215 56 R HN 0.744 nan 8.270 nan 0.000 0.546 57 G N 0.825 109.563 108.800 -0.104 0.000 2.712 57 G HA2 -0.226 3.746 3.960 0.020 0.000 0.683 57 G HA3 -0.226 3.746 3.960 0.020 0.000 0.683 57 G C -0.593 174.179 174.900 -0.214 0.000 1.320 57 G CA -1.084 43.940 45.100 -0.127 0.000 0.847 57 G HN 0.079 nan 8.290 nan 0.000 0.553 58 L N 1.008 122.075 121.223 -0.260 0.000 2.380 58 L HA 0.351 4.703 4.340 0.020 0.000 0.273 58 L C -1.511 175.002 176.870 -0.595 0.000 1.138 58 L CA -1.527 53.007 54.840 -0.510 0.000 0.832 58 L CB 0.444 42.285 42.059 -0.363 0.000 1.124 58 L HN 0.355 nan 8.230 nan 0.000 0.454 59 P HA -0.019 nan 4.420 nan 0.000 0.262 59 P C 0.578 177.576 177.300 -0.504 0.000 1.182 59 P CA 0.042 62.706 63.100 -0.726 0.000 0.761 59 P CB 0.664 31.796 31.700 -0.946 0.000 0.795 60 S N 1.610 117.167 115.700 -0.239 0.000 2.474 60 S HA -0.047 4.435 4.470 0.020 0.000 0.235 60 S C 1.750 176.334 174.600 -0.026 0.000 0.997 60 S CA 0.796 58.928 58.200 -0.114 0.000 0.949 60 S CB -0.668 62.487 63.200 -0.076 0.000 0.766 60 S HN 0.552 nan 8.310 nan 0.000 0.517 61 G N -0.157 108.647 108.800 0.007 0.000 3.141 61 G HA2 0.212 4.184 3.960 0.020 0.000 0.218 61 G HA3 0.212 4.184 3.960 0.020 0.000 0.218 61 G C -0.222 174.824 174.900 0.244 0.000 1.170 61 G CA -0.722 44.440 45.100 0.103 0.000 0.769 61 G HN 0.331 nan 8.290 nan 0.000 0.546 62 W N 0.916 122.210 121.300 -0.011 0.000 2.181 62 W HA 0.543 5.214 4.660 0.019 0.000 0.335 62 W C 0.832 177.346 176.519 -0.010 0.000 1.310 62 W CA -0.590 56.744 57.345 -0.017 0.000 1.226 62 W CB 0.789 30.234 29.460 -0.025 0.000 1.155 62 W HN 0.086 nan 8.180 nan 0.000 0.565 63 G N 1.283 110.178 108.800 0.158 0.000 2.971 63 G HA2 0.299 4.271 3.960 0.020 0.000 0.235 63 G HA3 0.299 4.271 3.960 0.020 0.000 0.235 63 G C -0.031 174.908 174.900 0.066 0.000 1.351 63 G CA -0.635 44.531 45.100 0.109 0.000 1.039 63 G HN 0.410 nan 8.290 nan 0.000 0.563 64 F N -0.216 119.701 119.950 -0.054 0.000 2.126 64 F HA -0.137 4.403 4.527 0.021 0.000 0.299 64 F C 2.529 178.204 175.800 -0.207 0.000 1.096 64 F CA 1.956 59.896 58.000 -0.100 0.000 1.255 64 F CB -0.083 38.854 39.000 -0.105 0.000 0.997 64 F HN 0.028 nan 8.300 nan 0.000 0.479 65 V N 0.363 120.180 119.914 -0.162 0.000 2.295 65 V HA -0.284 3.848 4.120 0.020 0.000 0.246 65 V C 2.236 178.040 176.094 -0.482 0.000 1.049 65 V CA 2.316 64.421 62.300 -0.326 0.000 1.024 65 V CB -0.658 31.064 31.823 -0.168 0.000 0.648 65 V HN 0.253 nan 8.190 nan 0.000 0.447 66 E N 0.559 120.467 120.200 -0.486 0.000 2.072 66 E HA -0.120 4.242 4.350 0.020 0.000 0.191 66 E C 2.222 178.298 176.600 -0.873 0.000 0.985 66 E CA 1.469 57.373 56.400 -0.828 0.000 0.801 66 E CB -0.614 28.332 29.700 -1.257 0.000 0.750 66 E HN 0.572 nan 8.360 nan 0.000 0.452 67 A N 0.935 123.454 122.820 -0.502 0.000 1.898 67 A HA -0.027 4.305 4.320 0.020 0.000 0.216 67 A C 2.358 179.769 177.584 -0.288 0.000 1.181 67 A CA 1.690 53.594 52.037 -0.221 0.000 0.620 67 A CB -0.816 18.179 19.000 -0.009 0.000 0.819 67 A HN 0.278 nan 8.150 nan 0.000 0.442 68 A N -0.040 122.449 122.820 -0.552 0.000 1.902 68 A HA 0.136 4.468 4.320 0.020 0.000 0.217 68 A C 2.490 179.957 177.584 -0.196 0.000 1.181 68 A CA 2.148 53.883 52.037 -0.504 0.000 0.623 68 A CB -0.975 17.274 19.000 -1.251 0.000 0.818 68 A HN 1.033 nan 8.150 nan 0.000 0.443 69 A N -0.285 122.342 122.820 -0.321 0.000 1.930 69 A HA 0.222 4.554 4.320 0.020 0.000 0.217 69 A C 2.490 180.028 177.584 -0.077 0.000 1.175 69 A CA 1.898 53.829 52.037 -0.176 0.000 0.627 69 A CB -0.955 17.884 19.000 -0.268 0.000 0.815 69 A HN 1.030 nan 8.150 nan 0.000 0.443 70 A N -0.807 121.915 122.820 -0.163 0.000 1.902 70 A HA -0.141 4.191 4.320 0.020 0.000 0.217 70 A C 2.168 179.833 177.584 0.134 0.000 1.181 70 A CA 2.251 54.293 52.037 0.008 0.000 0.623 70 A CB -0.499 18.530 19.000 0.047 0.000 0.818 70 A HN 0.567 nan 8.150 nan 0.000 0.443 71 M N -0.011 119.651 119.600 0.105 0.000 2.213 71 M HA -0.119 4.373 4.480 0.020 0.000 0.263 71 M C 2.059 178.431 176.300 0.121 0.000 1.062 71 M CA 1.960 57.313 55.300 0.090 0.000 1.105 71 M CB -0.480 32.136 32.600 0.026 0.000 1.385 71 M HN 0.498 nan 8.290 nan 0.000 0.417 72 R N -0.255 120.410 120.500 0.274 0.000 2.070 72 R HA -0.170 4.182 4.340 0.020 0.000 0.233 72 R C 1.409 177.935 176.300 0.377 0.000 1.137 72 R CA 2.190 58.494 56.100 0.341 0.000 0.945 72 R CB -0.623 29.917 30.300 0.399 0.000 0.845 72 R HN 0.344 nan 8.270 nan 0.000 0.430 73 D N 0.474 121.071 120.400 0.329 0.000 2.144 73 D HA -0.094 4.558 4.640 0.020 0.000 0.200 73 D C 2.026 178.726 176.300 0.666 0.000 0.978 73 D CA 1.197 55.434 54.000 0.394 0.000 0.833 73 D CB -0.117 40.762 40.800 0.130 0.000 0.961 73 D HN 0.348 nan 8.370 nan 0.000 0.470 74 I N 0.942 121.835 120.570 0.539 0.000 2.315 74 I HA -0.115 4.067 4.170 0.020 0.000 0.248 74 I C 2.559 178.940 176.117 0.440 0.000 1.117 74 I CA 1.081 62.641 61.300 0.433 0.000 1.404 74 I CB -0.482 37.635 38.000 0.196 0.000 1.071 74 I HN -0.005 nan 8.210 nan 0.000 0.419 75 G N 1.016 109.987 108.800 0.285 0.000 2.469 75 G HA2 -0.285 3.687 3.960 0.020 0.000 0.219 75 G HA3 -0.285 3.687 3.960 0.020 0.000 0.219 75 G C 1.513 176.498 174.900 0.142 0.000 1.150 75 G CA 0.755 45.936 45.100 0.134 0.000 0.763 75 G HN 0.275 nan 8.290 nan 0.000 0.561 76 F N -0.078 119.956 119.950 0.139 0.000 2.307 76 F HA 0.077 4.615 4.527 0.019 0.000 0.301 76 F C 2.153 177.971 175.800 0.029 0.000 1.076 76 F CA 0.714 58.635 58.000 -0.131 0.000 1.383 76 F CB -0.267 38.464 39.000 -0.450 0.000 1.055 76 F HN 0.106 nan 8.300 nan 0.000 0.526 77 F N -0.675 119.470 119.950 0.325 0.000 2.456 77 F HA -0.059 4.483 4.527 0.025 0.000 0.298 77 F C 1.970 177.917 175.800 0.245 0.000 1.104 77 F CA 0.513 58.679 58.000 0.276 0.000 1.435 77 F CB -0.518 38.600 39.000 0.197 0.000 1.078 77 F HN -0.120 nan 8.300 nan 0.000 0.546 78 L N -0.569 120.879 121.223 0.374 0.000 1.988 78 L HA -0.070 4.282 4.340 0.020 0.000 0.207 78 L C 2.838 179.849 176.870 0.235 0.000 1.071 78 L CA 1.491 56.484 54.840 0.255 0.000 0.744 78 L CB -1.580 40.590 42.059 0.186 0.000 0.893 78 L HN 0.201 nan 8.230 nan 0.000 0.433 79 G N -0.501 108.477 108.800 0.297 0.000 2.442 79 G HA2 -0.245 3.727 3.960 0.020 0.000 0.219 79 G HA3 -0.245 3.727 3.960 0.020 0.000 0.219 79 G C 1.735 176.733 174.900 0.162 0.000 1.141 79 G CA 1.052 46.257 45.100 0.174 0.000 0.763 79 G HN 0.347 nan 8.290 nan 0.000 0.554 80 S N 0.484 116.424 115.700 0.399 0.000 2.348 80 S HA -0.032 4.450 4.470 0.020 0.000 0.221 80 S C 2.310 177.040 174.600 0.216 0.000 1.033 80 S CA 0.973 59.413 58.200 0.401 0.000 1.010 80 S CB -0.323 63.134 63.200 0.427 0.000 0.891 80 S HN 0.308 nan 8.310 nan 0.000 0.442 81 L N 1.073 122.457 121.223 0.270 0.000 2.042 81 L HA -0.150 4.202 4.340 0.020 0.000 0.210 81 L C 2.533 179.501 176.870 0.165 0.000 1.076 81 L CA 1.316 56.321 54.840 0.275 0.000 0.749 81 L CB -0.399 41.809 42.059 0.249 0.000 0.893 81 L HN 0.215 nan 8.230 nan 0.000 0.432 82 K N 0.297 120.735 120.400 0.064 0.000 2.097 82 K HA -0.181 4.151 4.320 0.020 0.000 0.205 82 K C 2.258 178.748 176.600 -0.184 0.000 1.050 82 K CA 1.155 57.425 56.287 -0.028 0.000 0.938 82 K CB -0.254 32.232 32.500 -0.023 0.000 0.718 82 K HN -0.038 nan 8.250 nan 0.000 0.442 83 R N 0.225 120.516 120.500 -0.349 0.000 2.117 83 R HA -0.153 4.199 4.340 0.020 0.000 0.243 83 R C 0.958 176.880 176.300 -0.631 0.000 1.143 83 R CA 1.670 57.352 56.100 -0.697 0.000 0.968 83 R CB -0.447 29.043 30.300 -1.351 0.000 0.863 83 R HN 0.495 nan 8.270 nan 0.000 0.444 84 H N -1.393 117.579 119.070 -0.163 0.000 2.533 84 H HA 0.164 4.728 4.556 0.013 0.000 0.271 84 H C 0.892 176.098 175.328 -0.204 0.000 1.000 84 H CA 0.850 56.842 56.048 -0.094 0.000 1.149 84 H CB 0.436 30.238 29.762 0.066 0.000 1.375 84 H HN 0.523 nan 8.280 nan 0.000 0.582 85 G N 1.094 109.768 108.800 -0.210 0.000 2.131 85 G HA2 -0.182 3.790 3.960 0.020 0.000 0.201 85 G HA3 -0.182 3.790 3.960 0.020 0.000 0.201 85 G C -0.411 174.191 174.900 -0.496 0.000 1.000 85 G CA -0.490 44.401 45.100 -0.348 0.000 0.680 85 G HN 0.474 nan 8.290 nan 0.000 0.514 86 H N 0.383 119.463 119.070 0.015 0.000 2.589 86 H HA 0.354 4.921 4.556 0.017 0.000 0.351 86 H C -0.440 174.908 175.328 0.032 0.000 1.074 86 H CA -0.773 55.293 56.048 0.030 0.000 1.203 86 H CB 1.527 31.321 29.762 0.054 0.000 1.558 86 H HN 0.185 nan 8.280 nan 0.000 0.522 87 E N 4.333 124.614 120.200 0.135 0.000 2.328 87 E HA 0.033 4.395 4.350 0.020 0.000 0.265 87 E C -1.515 175.153 176.600 0.114 0.000 1.057 87 E CA -1.652 54.809 56.400 0.101 0.000 0.916 87 E CB 1.175 30.919 29.700 0.073 0.000 0.993 87 E HN 0.437 nan 8.360 nan 0.000 0.446 88 P HA -0.205 nan 4.420 nan 0.000 0.216 88 P C 1.063 178.405 177.300 0.069 0.000 1.153 88 P CA 1.460 64.623 63.100 0.105 0.000 0.858 88 P CB 0.203 31.976 31.700 0.121 0.000 0.789 89 A N 0.066 122.924 122.820 0.064 0.000 2.019 89 A HA -0.214 4.118 4.320 0.020 0.000 0.219 89 A C 2.103 179.708 177.584 0.035 0.000 1.164 89 A CA 1.596 53.660 52.037 0.044 0.000 0.644 89 A CB -1.079 17.950 19.000 0.049 0.000 0.805 89 A HN 0.248 nan 8.150 nan 0.000 0.449 90 E N -0.583 119.644 120.200 0.046 0.000 2.230 90 E HA -0.038 4.324 4.350 0.020 0.000 0.192 90 E C 1.728 178.343 176.600 0.025 0.000 0.987 90 E CA 1.139 57.562 56.400 0.038 0.000 0.841 90 E CB 0.001 29.732 29.700 0.052 0.000 0.783 90 E HN 0.630 nan 8.360 nan 0.000 0.481 91 V N -1.947 117.982 119.914 0.024 0.000 3.660 91 V HA 0.154 4.286 4.120 0.020 0.000 0.276 91 V C 0.593 176.676 176.094 -0.018 0.000 1.317 91 V CA -0.251 62.043 62.300 -0.010 0.000 1.097 91 V CB 0.559 32.351 31.823 -0.051 0.000 0.863 91 V HN -0.136 nan 8.190 nan 0.000 0.438 92 V N 2.342 122.252 119.914 -0.007 0.000 2.305 92 V HA 0.489 4.621 4.120 0.020 0.000 0.275 92 V C -2.568 173.511 176.094 -0.026 0.000 1.020 92 V CA -1.762 60.523 62.300 -0.026 0.000 0.811 92 V CB 0.692 32.495 31.823 -0.033 0.000 1.031 92 V HN 0.279 nan 8.190 nan 0.000 0.439 93 P HA 0.300 nan 4.420 nan 0.000 0.268 93 P C 1.129 178.408 177.300 -0.035 0.000 1.205 93 P CA 1.153 64.237 63.100 -0.026 0.000 0.771 93 P CB 0.886 32.571 31.700 -0.025 0.000 0.858 94 G N 1.441 110.224 108.800 -0.028 0.000 2.179 94 G HA2 -0.320 3.652 3.960 0.020 0.000 0.260 94 G HA3 -0.320 3.652 3.960 0.020 0.000 0.260 94 G C 0.634 175.512 174.900 -0.037 0.000 0.977 94 G CA 0.427 45.507 45.100 -0.034 0.000 0.641 94 G HN 0.568 nan 8.290 nan 0.000 0.533 95 L N 0.855 122.058 121.223 -0.033 0.000 2.068 95 L HA 0.351 4.703 4.340 0.020 0.000 0.204 95 L C 2.431 179.294 176.870 -0.012 0.000 1.076 95 L CA 2.820 57.641 54.840 -0.032 0.000 0.753 95 L CB -0.501 41.541 42.059 -0.027 0.000 0.910 95 L HN 0.422 nan 8.230 nan 0.000 0.439 96 E N -0.333 119.867 120.200 -0.001 0.000 2.085 96 E HA -0.199 4.163 4.350 0.020 0.000 0.194 96 E C -0.581 176.021 176.600 0.002 0.000 0.994 96 E CA 1.477 57.882 56.400 0.009 0.000 0.801 96 E CB -0.780 28.932 29.700 0.019 0.000 0.743 96 E HN 0.398 nan 8.360 nan 0.000 0.453 97 P HA -0.139 nan 4.420 nan 0.000 0.216 97 P C 1.527 178.822 177.300 -0.008 0.000 1.153 97 P CA 1.018 64.114 63.100 -0.007 0.000 0.848 97 P CB 0.024 31.716 31.700 -0.014 0.000 0.787 98 V N -0.265 119.642 119.914 -0.012 0.000 2.287 98 V HA -0.249 3.883 4.120 0.020 0.000 0.248 98 V C 2.499 178.600 176.094 0.012 0.000 1.053 98 V CA 1.717 64.015 62.300 -0.003 0.000 1.027 98 V CB -1.341 30.477 31.823 -0.009 0.000 0.646 98 V HN 0.067 nan 8.190 nan 0.000 0.447 99 L N -0.789 120.437 121.223 0.004 0.000 2.042 99 L HA -0.214 4.138 4.340 0.020 0.000 0.210 99 L C 2.427 179.287 176.870 -0.018 0.000 1.076 99 L CA 1.601 56.438 54.840 -0.006 0.000 0.749 99 L CB -0.574 41.477 42.059 -0.013 0.000 0.893 99 L HN 0.316 nan 8.230 nan 0.000 0.432 100 L N -0.671 120.545 121.223 -0.011 0.000 2.093 100 L HA -0.208 4.144 4.340 0.020 0.000 0.208 100 L C 2.206 179.077 176.870 0.002 0.000 1.085 100 L CA 0.951 55.786 54.840 -0.009 0.000 0.755 100 L CB -0.620 41.440 42.059 0.002 0.000 0.904 100 L HN 0.252 nan 8.230 nan 0.000 0.435 101 D N 0.195 120.600 120.400 0.009 0.000 2.144 101 D HA -0.139 4.513 4.640 0.020 0.000 0.199 101 D C 2.390 178.716 176.300 0.042 0.000 0.984 101 D CA 1.169 55.180 54.000 0.019 0.000 0.834 101 D CB -0.107 40.699 40.800 0.009 0.000 0.955 101 D HN 0.266 nan 8.370 nan 0.000 0.465 102 L N 0.527 121.780 121.223 0.049 0.000 2.056 102 L HA -0.082 4.270 4.340 0.020 0.000 0.207 102 L C 2.530 179.427 176.870 0.045 0.000 1.078 102 L CA 0.919 55.799 54.840 0.067 0.000 0.749 102 L CB -0.406 41.696 42.059 0.072 0.000 0.901 102 L HN -0.035 nan 8.230 nan 0.000 0.433 103 A N 0.375 123.203 122.820 0.014 0.000 1.883 103 A HA -0.281 4.051 4.320 0.020 0.000 0.217 103 A C 2.444 180.050 177.584 0.037 0.000 1.186 103 A CA 2.099 54.138 52.037 0.003 0.000 0.624 103 A CB -0.641 18.326 19.000 -0.057 0.000 0.822 103 A HN 0.390 nan 8.150 nan 0.000 0.444 104 R N -0.405 120.117 120.500 0.035 0.000 2.073 104 R HA -0.075 4.277 4.340 0.020 0.000 0.234 104 R C 2.257 178.599 176.300 0.071 0.000 1.134 104 R CA 1.517 57.645 56.100 0.045 0.000 0.952 104 R CB -0.455 29.865 30.300 0.034 0.000 0.850 104 R HN 0.409 nan 8.270 nan 0.000 0.433 105 A N -0.011 122.857 122.820 0.079 0.000 1.972 105 A HA -0.123 4.209 4.320 0.020 0.000 0.219 105 A C 1.966 179.638 177.584 0.147 0.000 1.169 105 A CA 1.892 53.992 52.037 0.104 0.000 0.635 105 A CB -0.476 18.591 19.000 0.111 0.000 0.810 105 A HN 0.653 nan 8.150 nan 0.000 0.446 106 T N -4.910 109.729 114.554 0.142 0.000 3.023 106 T HA 0.147 4.509 4.350 0.020 0.000 0.253 106 T C 0.637 175.535 174.700 0.330 0.000 1.038 106 T CA 0.466 62.727 62.100 0.268 0.000 0.962 106 T CB -0.146 68.770 68.868 0.081 0.000 1.018 106 T HN 0.388 nan 8.240 nan 0.000 0.521 107 N N 0.746 119.556 118.700 0.183 0.000 2.727 107 N HA -0.135 4.617 4.740 0.020 0.000 0.249 107 N C -0.763 174.825 175.510 0.130 0.000 1.048 107 N CA 0.448 53.574 53.050 0.126 0.000 0.714 107 N CB -1.909 36.640 38.487 0.103 0.000 0.959 107 N HN 0.723 nan 8.380 nan 0.000 0.544 108 L N -1.079 120.221 121.223 0.127 0.000 2.277 108 L HA 0.697 5.049 4.340 0.020 0.000 0.254 108 L C -1.933 174.927 176.870 -0.016 0.000 1.044 108 L CA -2.148 52.757 54.840 0.109 0.000 0.842 108 L CB 1.654 43.873 42.059 0.268 0.000 1.422 108 L HN -0.124 nan 8.230 nan 0.000 0.422 109 P HA 0.102 nan 4.420 nan 0.000 0.271 109 P C -2.472 174.632 177.300 -0.325 0.000 1.233 109 P CA -0.978 61.913 63.100 -0.348 0.000 0.789 109 P CB -0.097 31.326 31.700 -0.463 0.000 0.951 110 P HA 0.129 nan 4.420 nan 0.000 0.220 110 P C -0.403 176.755 177.300 -0.237 0.000 1.793 110 P CA 0.277 63.199 63.100 -0.298 0.000 0.917 110 P CB -0.137 31.406 31.700 -0.262 0.000 1.755 111 R N -1.370 119.004 120.500 -0.210 0.000 2.829 111 R HA 0.428 4.780 4.340 0.020 0.000 0.267 111 R C -0.820 175.370 176.300 -0.183 0.000 1.051 111 R CA -0.980 55.052 56.100 -0.113 0.000 0.927 111 R CB 0.427 30.720 30.300 -0.011 0.000 1.292 111 R HN -0.169 nan 8.270 nan 0.000 0.445 112 E N 1.549 121.655 120.200 -0.158 0.000 2.373 112 E HA 0.187 4.549 4.350 0.020 0.000 0.267 112 E C -0.753 175.832 176.600 -0.025 0.000 1.032 112 E CA -0.076 56.162 56.400 -0.271 0.000 0.889 112 E CB 1.348 30.931 29.700 -0.194 0.000 0.984 112 E HN 0.673 nan 8.360 nan 0.000 0.425 113 T N -0.149 114.488 114.554 0.139 0.000 2.905 113 T HA 0.268 4.630 4.350 0.020 0.000 0.283 113 T C 1.144 175.944 174.700 0.167 0.000 1.031 113 T CA -0.627 61.629 62.100 0.260 0.000 1.002 113 T CB 0.957 70.049 68.868 0.373 0.000 1.200 113 T HN 0.378 nan 8.240 nan 0.000 0.560 114 L N 0.549 121.811 121.223 0.065 0.000 2.051 114 L HA -0.046 4.306 4.340 0.020 0.000 0.214 114 L C 2.358 179.148 176.870 -0.134 0.000 1.076 114 L CA 1.759 56.581 54.840 -0.031 0.000 0.758 114 L CB -1.120 40.902 42.059 -0.062 0.000 0.890 114 L HN 0.796 nan 8.230 nan 0.000 0.433 115 L N -1.414 119.635 121.223 -0.290 0.000 2.012 115 L HA -0.292 4.060 4.340 0.020 0.000 0.210 115 L C 2.508 179.006 176.870 -0.619 0.000 1.073 115 L CA 1.730 56.092 54.840 -0.797 0.000 0.748 115 L CB -0.885 40.270 42.059 -1.507 0.000 0.891 115 L HN 0.375 nan 8.230 nan 0.000 0.431 116 H N -1.008 117.964 119.070 -0.164 0.000 2.353 116 H HA -0.171 4.396 4.556 0.020 0.000 0.298 116 H C 2.065 177.490 175.328 0.162 0.000 1.103 116 H CA 1.976 58.144 56.048 0.201 0.000 1.293 116 H CB -0.297 29.571 29.762 0.176 0.000 1.372 116 H HN 0.332 nan 8.280 nan 0.000 0.501 117 V N -1.384 118.631 119.914 0.169 0.000 3.506 117 V HA 0.063 4.195 4.120 0.020 0.000 0.263 117 V C 1.550 177.767 176.094 0.204 0.000 1.203 117 V CA 1.309 63.745 62.300 0.226 0.000 1.133 117 V CB -0.060 31.796 31.823 0.055 0.000 0.802 117 V HN 0.608 nan 8.190 nan 0.000 0.459 118 T N -0.472 114.119 114.554 0.063 0.000 3.479 118 T HA 0.101 4.463 4.350 0.020 0.000 0.197 118 T C 1.692 176.380 174.700 -0.020 0.000 0.912 118 T CA 1.314 63.421 62.100 0.012 0.000 1.281 118 T CB -0.126 68.710 68.868 -0.053 0.000 1.588 118 T HN 0.702 nan 8.240 nan 0.000 0.389 119 V N -2.134 117.680 119.914 -0.167 0.000 2.970 119 V HA 0.118 4.250 4.120 0.020 0.000 0.260 119 V C 1.802 177.976 176.094 0.133 0.000 1.100 119 V CA 0.634 62.846 62.300 -0.147 0.000 1.122 119 V CB -1.260 30.226 31.823 -0.561 0.000 0.721 119 V HN 0.615 nan 8.190 nan 0.000 0.483 120 W N 1.026 122.301 121.300 -0.043 0.000 3.290 120 W HA 0.427 5.098 4.660 0.019 0.000 0.287 120 W C 0.701 177.238 176.519 0.029 0.000 1.288 120 W CA -0.915 56.430 57.345 0.000 0.000 1.725 120 W CB -1.040 28.388 29.460 -0.053 0.000 1.103 120 W HN 0.364 nan 8.180 nan 0.000 0.670 121 N N 1.758 120.601 118.700 0.238 0.000 2.417 121 N HA 0.250 5.002 4.740 0.020 0.000 0.274 121 N C -2.671 172.893 175.510 0.091 0.000 0.987 121 N CA -2.328 50.822 53.050 0.165 0.000 0.912 121 N CB 1.803 40.404 38.487 0.190 0.000 1.177 121 N HN -0.305 nan 8.380 nan 0.000 0.490 122 P HA 0.057 nan 4.420 nan 0.000 0.268 122 P C 0.509 177.812 177.300 0.005 0.000 1.208 122 P CA 0.016 63.129 63.100 0.023 0.000 0.777 122 P CB 0.496 32.193 31.700 -0.005 0.000 0.875 123 T N -2.027 112.531 114.554 0.006 0.000 3.051 123 T HA 0.229 4.591 4.350 0.020 0.000 0.255 123 T C 0.982 175.671 174.700 -0.017 0.000 1.085 123 T CA 0.132 62.230 62.100 -0.003 0.000 1.109 123 T CB -0.355 68.516 68.868 0.005 0.000 0.921 123 T HN 0.520 nan 8.240 nan 0.000 0.488 124 A N 1.123 123.931 122.820 -0.020 0.000 2.498 124 A HA 0.717 5.049 4.320 0.020 0.000 0.239 124 A C 1.950 179.511 177.584 -0.039 0.000 1.068 124 A CA 0.116 52.138 52.037 -0.025 0.000 0.766 124 A CB -0.211 18.775 19.000 -0.023 0.000 1.003 124 A HN 0.575 nan 8.150 nan 0.000 0.497 125 A N 1.650 124.448 122.820 -0.036 0.000 1.986 125 A HA -0.183 4.149 4.320 0.020 0.000 0.220 125 A C 1.420 178.972 177.584 -0.053 0.000 1.171 125 A CA 2.108 54.118 52.037 -0.045 0.000 0.640 125 A CB -0.544 18.436 19.000 -0.034 0.000 0.811 125 A HN 0.931 nan 8.150 nan 0.000 0.451 126 D N -1.601 118.772 120.400 -0.045 0.000 2.319 126 D HA 0.408 5.060 4.640 0.020 0.000 0.230 126 D C 0.806 177.069 176.300 -0.061 0.000 1.094 126 D CA 0.897 54.867 54.000 -0.049 0.000 0.856 126 D CB 0.139 40.917 40.800 -0.037 0.000 0.915 126 D HN 0.362 nan 8.370 nan 0.000 0.517 127 A N -0.454 122.325 122.820 -0.068 0.000 2.150 127 A HA 0.094 4.426 4.320 0.020 0.000 0.191 127 A C 0.934 178.455 177.584 -0.104 0.000 1.591 127 A CA -0.234 51.756 52.037 -0.079 0.000 1.142 127 A CB -0.237 18.729 19.000 -0.057 0.000 1.326 127 A HN 0.173 nan 8.150 nan 0.000 0.470 128 Q N 1.278 121.017 119.800 -0.101 0.000 2.263 128 Q HA 0.193 4.545 4.340 0.020 0.000 0.289 128 Q C -0.524 175.334 176.000 -0.235 0.000 1.061 128 Q CA 0.074 55.801 55.803 -0.127 0.000 0.927 128 Q CB 0.339 29.019 28.738 -0.097 0.000 1.154 128 Q HN 0.369 nan 8.270 nan 0.000 0.378 129 R N 1.924 122.216 120.500 -0.347 0.000 2.531 129 R HA 0.480 4.832 4.340 0.020 0.000 0.273 129 R C -0.860 174.854 176.300 -0.976 0.000 1.070 129 R CA -0.071 55.579 56.100 -0.750 0.000 1.112 129 R CB 1.729 31.423 30.300 -1.011 0.000 1.049 129 R HN 0.596 nan 8.270 nan 0.000 0.508 130 S N 0.563 115.587 115.700 -1.125 0.000 2.543 130 S HA 0.274 4.756 4.470 0.020 0.000 0.274 130 S C -0.294 173.995 174.600 -0.518 0.000 1.149 130 S CA -0.722 57.101 58.200 -0.630 0.000 0.866 130 S CB 0.405 63.422 63.200 -0.305 0.000 1.111 130 S HN 0.556 nan 8.310 nan 0.000 0.457 131 Y N 1.898 122.127 120.300 -0.117 0.000 2.184 131 Y HA -0.019 4.539 4.550 0.014 0.000 0.290 131 Y C 2.857 178.423 175.900 -0.556 0.000 1.129 131 Y CA 1.883 59.748 58.100 -0.391 0.000 1.144 131 Y CB -0.253 37.708 38.460 -0.831 0.000 0.995 131 Y HN 0.836 nan 8.280 nan 0.000 0.513 132 T N -5.297 109.075 114.554 -0.303 0.000 2.969 132 T HA 0.357 4.719 4.350 0.020 0.000 0.250 132 T C 1.826 176.446 174.700 -0.133 0.000 1.021 132 T CA 0.477 62.426 62.100 -0.252 0.000 1.003 132 T CB 0.091 68.825 68.868 -0.222 0.000 1.040 132 T HN 0.429 nan 8.240 nan 0.000 0.492 133 G N 1.704 110.425 108.800 -0.132 0.000 2.175 133 G HA2 -0.235 3.738 3.960 0.020 0.000 0.265 133 G HA3 -0.235 3.738 3.960 0.020 0.000 0.265 133 G C 0.002 174.859 174.900 -0.072 0.000 0.979 133 G CA 0.523 45.560 45.100 -0.104 0.000 0.663 133 G HN 0.665 nan 8.290 nan 0.000 0.533 134 L N 0.041 121.229 121.223 -0.057 0.000 2.436 134 L HA 0.287 4.639 4.340 0.020 0.000 0.265 134 L C -0.372 176.462 176.870 -0.060 0.000 1.168 134 L CA -1.823 52.997 54.840 -0.034 0.000 0.815 134 L CB 0.877 42.935 42.059 -0.002 0.000 1.109 134 L HN -0.110 nan 8.230 nan 0.000 0.462 135 P HA -0.138 nan 4.420 nan 0.000 0.215 135 P C 0.607 177.747 177.300 -0.267 0.000 1.153 135 P CA 1.150 64.136 63.100 -0.190 0.000 0.853 135 P CB 0.177 31.840 31.700 -0.062 0.000 0.788 136 D N -0.721 119.676 120.400 -0.005 0.000 2.149 136 D HA -0.192 4.460 4.640 0.020 0.000 0.198 136 D C 1.955 178.337 176.300 0.137 0.000 0.990 136 D CA 1.042 55.126 54.000 0.140 0.000 0.839 136 D CB -0.422 40.493 40.800 0.191 0.000 0.948 136 D HN 0.359 nan 8.370 nan 0.000 0.460 137 E N 0.199 120.449 120.200 0.084 0.000 2.107 137 E HA -0.130 4.232 4.350 0.020 0.000 0.191 137 E C 2.028 178.680 176.600 0.087 0.000 0.982 137 E CA 0.838 57.320 56.400 0.137 0.000 0.809 137 E CB -0.023 29.744 29.700 0.112 0.000 0.756 137 E HN 0.242 nan 8.360 nan 0.000 0.459 138 A N 0.995 123.785 122.820 -0.049 0.000 1.902 138 A HA -0.210 4.122 4.320 0.020 0.000 0.217 138 A C 1.893 179.482 177.584 0.008 0.000 1.181 138 A CA 1.667 53.657 52.037 -0.080 0.000 0.623 138 A CB -0.810 18.074 19.000 -0.194 0.000 0.818 138 A HN 0.369 nan 8.150 nan 0.000 0.443 139 H N -1.110 118.048 119.070 0.147 0.000 2.389 139 H HA -0.055 4.515 4.556 0.022 0.000 0.299 139 H C 2.043 177.538 175.328 0.279 0.000 1.081 139 H CA 1.485 57.678 56.048 0.241 0.000 1.345 139 H CB -0.705 29.179 29.762 0.203 0.000 1.393 139 H HN 0.412 nan 8.280 nan 0.000 0.520 140 L N 0.977 122.403 121.223 0.339 0.000 2.012 140 L HA -0.163 4.189 4.340 0.020 0.000 0.210 140 L C 2.283 179.276 176.870 0.206 0.000 1.073 140 L CA 1.357 56.364 54.840 0.279 0.000 0.748 140 L CB -0.766 41.474 42.059 0.302 0.000 0.891 140 L HN 0.132 nan 8.230 nan 0.000 0.431 141 L N -0.937 120.390 121.223 0.174 0.000 2.056 141 L HA -0.180 4.172 4.340 0.020 0.000 0.207 141 L C 2.552 179.462 176.870 0.067 0.000 1.078 141 L CA 1.382 56.292 54.840 0.115 0.000 0.749 141 L CB -0.736 41.386 42.059 0.106 0.000 0.901 141 L HN 0.328 nan 8.230 nan 0.000 0.433 142 E N 0.842 121.088 120.200 0.077 0.000 2.110 142 E HA -0.202 4.160 4.350 0.020 0.000 0.193 142 E C 2.233 178.753 176.600 -0.133 0.000 0.988 142 E CA 1.625 58.001 56.400 -0.040 0.000 0.804 142 E CB -0.134 29.540 29.700 -0.044 0.000 0.745 142 E HN 0.456 nan 8.360 nan 0.000 0.458 143 S N -0.918 114.798 115.700 0.028 0.000 2.400 143 S HA -0.136 4.346 4.470 0.020 0.000 0.232 143 S C 2.029 176.637 174.600 0.015 0.000 1.025 143 S CA 1.305 59.541 58.200 0.061 0.000 0.993 143 S CB -0.495 62.868 63.200 0.272 0.000 0.808 143 S HN 0.135 nan 8.310 nan 0.000 0.478 144 V N 1.837 121.757 119.914 0.010 0.000 2.535 144 V HA 0.050 4.182 4.120 0.020 0.000 0.246 144 V C 2.799 178.855 176.094 -0.062 0.000 1.045 144 V CA 1.368 63.653 62.300 -0.025 0.000 1.058 144 V CB -0.698 31.108 31.823 -0.028 0.000 0.689 144 V HN 0.410 nan 8.190 nan 0.000 0.461 145 R N 0.010 120.472 120.500 -0.063 0.000 2.105 145 R HA -0.137 4.215 4.340 0.020 0.000 0.239 145 R C 2.217 178.479 176.300 -0.064 0.000 1.135 145 R CA 1.636 57.699 56.100 -0.062 0.000 0.967 145 R CB -0.517 29.752 30.300 -0.051 0.000 0.861 145 R HN 0.427 nan 8.270 nan 0.000 0.442 146 I N 0.443 120.951 120.570 -0.102 0.000 2.151 146 I HA -0.334 3.848 4.170 0.020 0.000 0.243 146 I C 2.156 178.242 176.117 -0.052 0.000 1.080 146 I CA 1.965 63.207 61.300 -0.097 0.000 1.339 146 I CB -0.169 37.752 38.000 -0.132 0.000 1.039 146 I HN 0.265 nan 8.210 nan 0.000 0.409 147 S N -1.341 114.326 115.700 -0.055 0.000 2.520 147 S HA 0.082 4.565 4.470 0.020 0.000 0.219 147 S C 1.620 176.176 174.600 -0.075 0.000 1.028 147 S CA -0.257 57.906 58.200 -0.061 0.000 0.921 147 S CB 0.016 63.164 63.200 -0.087 0.000 0.844 147 S HN 0.207 nan 8.310 nan 0.000 0.495 148 M N 3.669 123.225 119.600 -0.074 0.000 2.082 148 M HA 0.073 4.565 4.480 0.020 0.000 0.258 148 M C 2.182 178.460 176.300 -0.036 0.000 1.071 148 M CA 2.156 57.402 55.300 -0.091 0.000 1.103 148 M CB -1.128 31.393 32.600 -0.132 0.000 1.307 148 M HN 0.418 nan 8.290 nan 0.000 0.409 149 A N -0.559 122.312 122.820 0.084 0.000 1.933 149 A HA 0.085 4.417 4.320 0.020 0.000 0.218 149 A C 2.341 179.923 177.584 -0.003 0.000 1.175 149 A CA 2.029 54.147 52.037 0.135 0.000 0.628 149 A CB -1.416 17.731 19.000 0.246 0.000 0.814 149 A HN 0.688 nan 8.150 nan 0.000 0.444 150 A N -0.605 122.239 122.820 0.040 0.000 1.969 150 A HA 0.036 4.368 4.320 0.020 0.000 0.218 150 A C 2.085 179.651 177.584 -0.031 0.000 1.169 150 A CA 1.584 53.689 52.037 0.113 0.000 0.635 150 A CB -0.507 18.559 19.000 0.112 0.000 0.810 150 A HN 0.685 nan 8.150 nan 0.000 0.445 151 L N 0.123 121.259 121.223 -0.146 0.000 2.093 151 L HA -0.106 4.246 4.340 0.020 0.000 0.208 151 L C 2.059 178.694 176.870 -0.392 0.000 1.085 151 L CA 2.306 56.997 54.840 -0.248 0.000 0.755 151 L CB -0.637 41.260 42.059 -0.270 0.000 0.904 151 L HN 0.502 nan 8.230 nan 0.000 0.435 152 E N -0.331 119.565 120.200 -0.507 0.000 2.077 152 E HA -0.203 4.159 4.350 0.020 0.000 0.193 152 E C 2.196 178.242 176.600 -0.922 0.000 0.989 152 E CA 1.113 57.017 56.400 -0.826 0.000 0.800 152 E CB -0.313 28.735 29.700 -1.086 0.000 0.746 152 E HN 0.660 nan 8.360 nan 0.000 0.452 153 A N 1.474 123.829 122.820 -0.775 0.000 1.908 153 A HA -0.155 4.177 4.320 0.020 0.000 0.218 153 A C 2.385 179.705 177.584 -0.441 0.000 1.181 153 A CA 1.744 53.540 52.037 -0.400 0.000 0.627 153 A CB -0.632 18.167 19.000 -0.336 0.000 0.818 153 A HN 0.302 nan 8.150 nan 0.000 0.445 154 A N -0.210 122.373 122.820 -0.395 0.000 1.933 154 A HA -0.051 4.281 4.320 0.020 0.000 0.218 154 A C 2.091 179.506 177.584 -0.282 0.000 1.175 154 A CA 1.441 53.297 52.037 -0.301 0.000 0.628 154 A CB -0.573 18.312 19.000 -0.191 0.000 0.814 154 A HN 0.511 nan 8.150 nan 0.000 0.444 155 I N -0.293 120.077 120.570 -0.332 0.000 2.179 155 I HA -0.276 3.906 4.170 0.020 0.000 0.242 155 I C 2.988 178.992 176.117 -0.188 0.000 1.088 155 I CA 1.035 62.153 61.300 -0.305 0.000 1.357 155 I CB -0.362 37.371 38.000 -0.445 0.000 1.051 155 I HN 0.354 nan 8.210 nan 0.000 0.409 156 A N 1.090 123.829 122.820 -0.136 0.000 1.883 156 A HA -0.183 4.149 4.320 0.020 0.000 0.217 156 A C 2.297 179.834 177.584 -0.078 0.000 1.186 156 A CA 1.512 53.529 52.037 -0.035 0.000 0.624 156 A CB -0.990 18.057 19.000 0.078 0.000 0.822 156 A HN 0.379 nan 8.150 nan 0.000 0.444 157 L N -0.620 120.514 121.223 -0.148 0.000 2.079 157 L HA -0.204 4.148 4.340 0.020 0.000 0.210 157 L C 2.791 179.581 176.870 -0.132 0.000 1.081 157 L CA 1.812 56.562 54.840 -0.151 0.000 0.752 157 L CB -0.964 40.970 42.059 -0.209 0.000 0.896 157 L HN 0.373 nan 8.230 nan 0.000 0.433 158 T N -0.702 113.760 114.554 -0.152 0.000 2.708 158 T HA -0.146 4.216 4.350 0.020 0.000 0.266 158 T C 2.020 176.653 174.700 -0.112 0.000 1.037 158 T CA 1.387 63.398 62.100 -0.148 0.000 1.146 158 T CB -0.250 68.503 68.868 -0.191 0.000 0.865 158 T HN 0.065 nan 8.240 nan 0.000 0.435 159 V N 1.594 121.434 119.914 -0.122 0.000 2.332 159 V HA -0.211 3.921 4.120 0.020 0.000 0.248 159 V C 2.482 178.621 176.094 0.074 0.000 1.055 159 V CA 1.772 64.041 62.300 -0.051 0.000 1.038 159 V CB -0.645 31.188 31.823 0.016 0.000 0.651 159 V HN 0.548 nan 8.190 nan 0.000 0.450 160 E N -0.238 119.978 120.200 0.027 0.000 2.077 160 E HA -0.237 4.126 4.350 0.020 0.000 0.193 160 E C 2.119 178.740 176.600 0.035 0.000 0.989 160 E CA 1.352 57.773 56.400 0.036 0.000 0.800 160 E CB -0.247 29.448 29.700 -0.009 0.000 0.746 160 E HN 0.439 nan 8.360 nan 0.000 0.452 161 L N 0.432 121.639 121.223 -0.027 0.000 2.131 161 L HA -0.112 4.240 4.340 0.020 0.000 0.210 161 L C 1.966 178.844 176.870 0.014 0.000 1.092 161 L CA 1.376 56.148 54.840 -0.113 0.000 0.759 161 L CB -0.434 41.476 42.059 -0.250 0.000 0.903 161 L HN 0.083 nan 8.230 nan 0.000 0.435 162 F N 0.307 120.235 119.950 -0.037 0.000 2.202 162 F HA -0.228 4.312 4.527 0.020 0.000 0.301 162 F C 1.725 177.592 175.800 0.111 0.000 1.082 162 F CA 1.781 59.811 58.000 0.051 0.000 1.313 162 F CB -0.062 38.960 39.000 0.036 0.000 1.024 162 F HN 0.218 nan 8.300 nan 0.000 0.495 163 D N 0.169 120.753 120.400 0.306 0.000 2.328 163 D HA 0.093 4.745 4.640 0.020 0.000 0.221 163 D C -0.021 176.347 176.300 0.114 0.000 1.072 163 D CA 0.334 54.455 54.000 0.202 0.000 0.850 163 D CB 0.257 41.180 40.800 0.204 0.000 0.922 163 D HN -0.007 nan 8.370 nan 0.000 0.516 164 V N 0.934 120.913 119.914 0.109 0.000 2.439 164 V HA 0.131 4.263 4.120 0.020 0.000 0.282 164 V C 0.645 176.883 176.094 0.240 0.000 1.039 164 V CA -0.720 61.660 62.300 0.133 0.000 0.913 164 V CB 1.765 33.632 31.823 0.074 0.000 0.983 164 V HN -0.043 nan 8.190 nan 0.000 0.460 165 S N 3.240 119.036 115.700 0.160 0.000 2.549 165 S HA 0.141 4.623 4.470 0.020 0.000 0.279 165 S C 0.915 175.586 174.600 0.117 0.000 1.321 165 S CA -0.559 57.703 58.200 0.104 0.000 1.054 165 S CB 0.536 63.763 63.200 0.045 0.000 0.899 165 S HN 0.652 nan 8.310 nan 0.000 0.497 166 L N 6.016 127.171 121.223 -0.113 0.000 2.265 166 L HA 0.062 4.414 4.340 0.020 0.000 0.215 166 L C 2.271 179.060 176.870 -0.135 0.000 1.117 166 L CA 1.617 56.198 54.840 -0.430 0.000 0.782 166 L CB -0.415 41.294 42.059 -0.584 0.000 0.914 166 L HN 0.696 nan 8.230 nan 0.000 0.441 167 R N -1.239 119.239 120.500 -0.036 0.000 2.235 167 R HA 0.044 4.396 4.340 0.020 0.000 0.213 167 R C 1.075 177.408 176.300 0.055 0.000 1.059 167 R CA 0.503 56.629 56.100 0.044 0.000 0.997 167 R CB -0.303 30.017 30.300 0.033 0.000 0.884 167 R HN 0.353 nan 8.270 nan 0.000 0.462 168 S N 1.197 116.901 115.700 0.005 0.000 2.586 168 S HA 0.171 4.653 4.470 0.020 0.000 0.274 168 S C -1.563 172.919 174.600 -0.197 0.000 1.281 168 S CA -1.851 56.289 58.200 -0.100 0.000 1.035 168 S CB 1.199 64.393 63.200 -0.009 0.000 0.962 168 S HN -0.062 nan 8.310 nan 0.000 0.512 169 P HA -0.085 nan 4.420 nan 0.000 0.222 169 P C 0.961 178.231 177.300 -0.048 0.000 1.147 169 P CA 0.831 63.751 63.100 -0.299 0.000 0.790 169 P CB 0.115 31.621 31.700 -0.322 0.000 0.780 170 E N -1.152 119.029 120.200 -0.032 0.000 2.204 170 E HA -0.170 4.192 4.350 0.020 0.000 0.195 170 E C 1.713 178.340 176.600 0.045 0.000 0.990 170 E CA 0.575 56.980 56.400 0.008 0.000 0.821 170 E CB -0.426 29.276 29.700 0.003 0.000 0.750 170 E HN 0.193 nan 8.360 nan 0.000 0.477 171 F N 0.795 120.731 119.950 -0.023 0.000 2.102 171 F HA -0.191 4.348 4.527 0.020 0.000 0.298 171 F C 2.194 178.005 175.800 0.019 0.000 1.105 171 F CA 1.494 59.495 58.000 0.003 0.000 1.239 171 F CB -0.148 38.857 39.000 0.008 0.000 0.991 171 F HN 0.004 nan 8.300 nan 0.000 0.474 172 A N -0.216 122.784 122.820 0.300 0.000 1.902 172 A HA -0.227 4.105 4.320 0.020 0.000 0.217 172 A C 2.070 179.703 177.584 0.081 0.000 1.181 172 A CA 1.798 53.959 52.037 0.206 0.000 0.623 172 A CB -0.831 18.278 19.000 0.183 0.000 0.818 172 A HN 0.574 nan 8.150 nan 0.000 0.443 173 Q N -0.790 119.040 119.800 0.049 0.000 2.050 173 Q HA -0.136 4.216 4.340 0.020 0.000 0.202 173 Q C 2.345 178.338 176.000 -0.012 0.000 0.980 173 Q CA 1.319 57.134 55.803 0.020 0.000 0.840 173 Q CB -0.178 28.570 28.738 0.016 0.000 0.898 173 Q HN 0.486 nan 8.270 nan 0.000 0.424 174 R N 0.056 120.517 120.500 -0.065 0.000 2.092 174 R HA -0.026 4.326 4.340 0.020 0.000 0.231 174 R C 2.265 178.489 176.300 -0.126 0.000 1.119 174 R CA 1.119 57.153 56.100 -0.109 0.000 0.970 174 R CB -0.391 29.797 30.300 -0.186 0.000 0.864 174 R HN 0.167 nan 8.270 nan 0.000 0.440 175 S N 1.209 116.816 115.700 -0.155 0.000 2.371 175 S HA -0.091 4.391 4.470 0.020 0.000 0.224 175 S C 1.315 175.903 174.600 -0.020 0.000 1.029 175 S CA 1.095 59.230 58.200 -0.109 0.000 0.978 175 S CB -0.131 63.036 63.200 -0.055 0.000 0.833 175 S HN 0.246 nan 8.310 nan 0.000 0.466 176 D N 1.266 121.671 120.400 0.008 0.000 2.123 176 D HA -0.124 4.528 4.640 0.020 0.000 0.196 176 D C 1.964 178.286 176.300 0.037 0.000 0.992 176 D CA 1.017 55.033 54.000 0.028 0.000 0.833 176 D CB -0.331 40.489 40.800 0.034 0.000 0.954 176 D HN 0.527 nan 8.370 nan 0.000 0.455 177 E N -0.055 120.174 120.200 0.048 0.000 2.051 177 E HA -0.178 4.184 4.350 0.020 0.000 0.192 177 E C 2.124 178.840 176.600 0.193 0.000 0.991 177 E CA 0.498 56.971 56.400 0.122 0.000 0.799 177 E CB -0.100 29.666 29.700 0.110 0.000 0.748 177 E HN 0.068 nan 8.360 nan 0.000 0.449 178 L N 1.818 123.083 121.223 0.071 0.000 2.042 178 L HA -0.205 4.147 4.340 0.020 0.000 0.210 178 L C 2.269 179.177 176.870 0.064 0.000 1.076 178 L CA 2.028 56.891 54.840 0.038 0.000 0.749 178 L CB -0.630 41.389 42.059 -0.066 0.000 0.893 178 L HN 0.200 nan 8.230 nan 0.000 0.432 179 E N -0.183 120.036 120.200 0.032 0.000 2.110 179 E HA -0.214 4.148 4.350 0.020 0.000 0.193 179 E C 2.004 178.616 176.600 0.020 0.000 0.988 179 E CA 1.294 57.703 56.400 0.014 0.000 0.804 179 E CB -0.050 29.659 29.700 0.014 0.000 0.745 179 E HN 0.615 nan 8.360 nan 0.000 0.458 180 A N -0.156 122.680 122.820 0.026 0.000 1.930 180 A HA -0.155 4.177 4.320 0.020 0.000 0.217 180 A C 1.988 179.498 177.584 -0.123 0.000 1.175 180 A CA 1.160 53.164 52.037 -0.055 0.000 0.627 180 A CB -0.791 18.151 19.000 -0.097 0.000 0.815 180 A HN 0.339 nan 8.150 nan 0.000 0.443 181 Y N -0.146 120.126 120.300 -0.046 0.000 2.220 181 Y HA -0.032 4.530 4.550 0.020 0.000 0.291 181 Y C 2.133 177.984 175.900 -0.081 0.000 1.129 181 Y CA 1.188 59.251 58.100 -0.060 0.000 1.161 181 Y CB -0.266 38.150 38.460 -0.072 0.000 0.997 181 Y HN 0.150 nan 8.280 nan 0.000 0.522 182 L N -0.130 121.127 121.223 0.057 0.000 2.265 182 L HA -0.225 4.127 4.340 0.020 0.000 0.215 182 L C 2.362 179.213 176.870 -0.031 0.000 1.117 182 L CA 0.915 55.739 54.840 -0.028 0.000 0.782 182 L CB -0.389 41.639 42.059 -0.051 0.000 0.914 182 L HN 0.231 nan 8.230 nan 0.000 0.441 183 Q N 0.533 120.323 119.800 -0.017 0.000 2.181 183 Q HA -0.214 4.138 4.340 0.020 0.000 0.205 183 Q C 2.066 178.062 176.000 -0.007 0.000 0.980 183 Q CA 1.490 57.288 55.803 -0.009 0.000 0.862 183 Q CB 0.034 28.760 28.738 -0.020 0.000 0.905 183 Q HN 0.157 nan 8.270 nan 0.000 0.429 184 K N -0.397 119.986 120.400 -0.028 0.000 2.103 184 K HA -0.131 4.201 4.320 0.020 0.000 0.207 184 K C 1.818 178.405 176.600 -0.021 0.000 1.048 184 K CA 1.272 57.544 56.287 -0.026 0.000 0.930 184 K CB -0.331 32.148 32.500 -0.036 0.000 0.716 184 K HN 0.362 nan 8.250 nan 0.000 0.444 185 M N 0.447 120.007 119.600 -0.067 0.000 2.108 185 M HA -0.132 4.361 4.480 0.020 0.000 0.261 185 M C 2.339 178.715 176.300 0.127 0.000 1.066 185 M CA 1.201 56.435 55.300 -0.108 0.000 1.107 185 M CB -1.169 31.191 32.600 -0.400 0.000 1.356 185 M HN -0.144 nan 8.290 nan 0.000 0.406 186 V N 0.115 120.110 119.914 0.135 0.000 2.295 186 V HA -0.250 3.882 4.120 0.020 0.000 0.246 186 V C 2.393 178.576 176.094 0.149 0.000 1.049 186 V CA 2.054 64.459 62.300 0.175 0.000 1.024 186 V CB -0.877 31.014 31.823 0.112 0.000 0.648 186 V HN 0.502 nan 8.190 nan 0.000 0.447 187 E N 0.232 120.495 120.200 0.105 0.000 2.085 187 E HA -0.226 4.136 4.350 0.020 0.000 0.194 187 E C 2.357 179.056 176.600 0.166 0.000 0.994 187 E CA 1.606 58.075 56.400 0.115 0.000 0.801 187 E CB -0.109 29.632 29.700 0.069 0.000 0.743 187 E HN 0.585 nan 8.360 nan 0.000 0.453 188 S N 0.432 116.217 115.700 0.142 0.000 2.365 188 S HA -0.171 4.311 4.470 0.020 0.000 0.225 188 S C 1.857 176.619 174.600 0.270 0.000 1.039 188 S CA 1.161 59.467 58.200 0.176 0.000 1.033 188 S CB -0.147 63.128 63.200 0.125 0.000 0.887 188 S HN 0.313 nan 8.310 nan 0.000 0.447 189 I N 1.074 121.811 120.570 0.279 0.000 2.353 189 I HA -0.054 4.128 4.170 0.020 0.000 0.248 189 I C 2.307 178.567 176.117 0.239 0.000 1.119 189 I CA 0.780 62.243 61.300 0.273 0.000 1.417 189 I CB -1.585 36.564 38.000 0.249 0.000 1.078 189 I HN 0.137 nan 8.210 nan 0.000 0.421 190 V N 0.442 120.478 119.914 0.203 0.000 2.287 190 V HA -0.336 3.796 4.120 0.020 0.000 0.248 190 V C 2.443 178.671 176.094 0.224 0.000 1.053 190 V CA 1.941 64.341 62.300 0.167 0.000 1.027 190 V CB -0.862 31.034 31.823 0.121 0.000 0.646 190 V HN 0.316 nan 8.190 nan 0.000 0.447 191 Y N 1.044 121.450 120.300 0.175 0.000 2.097 191 Y HA -0.262 4.299 4.550 0.019 0.000 0.282 191 Y C 2.418 178.480 175.900 0.270 0.000 1.152 191 Y CA 1.836 60.094 58.100 0.264 0.000 1.136 191 Y CB -0.603 37.994 38.460 0.227 0.000 0.975 191 Y HN 0.168 nan 8.280 nan 0.000 0.498 192 A N -0.890 122.151 122.820 0.369 0.000 1.908 192 A HA -0.277 4.055 4.320 0.020 0.000 0.218 192 A C 2.134 179.783 177.584 0.108 0.000 1.181 192 A CA 1.849 54.031 52.037 0.241 0.000 0.627 192 A CB -1.563 17.569 19.000 0.221 0.000 0.818 192 A HN 0.687 nan 8.150 nan 0.000 0.445 193 Y N -0.151 120.158 120.300 0.015 0.000 2.224 193 Y HA -0.173 4.391 4.550 0.023 0.000 0.289 193 Y C 2.627 178.447 175.900 -0.133 0.000 1.146 193 Y CA 2.122 60.191 58.100 -0.050 0.000 1.182 193 Y CB -0.135 38.298 38.460 -0.045 0.000 0.983 193 Y HN 0.306 nan 8.280 nan 0.000 0.524 194 R N -1.383 119.070 120.500 -0.079 0.000 2.090 194 R HA -0.110 4.242 4.340 0.020 0.000 0.228 194 R C 1.129 177.046 176.300 -0.639 0.000 1.110 194 R CA 1.668 57.516 56.100 -0.419 0.000 0.973 194 R CB -0.225 29.661 30.300 -0.690 0.000 0.869 194 R HN 0.341 nan 8.270 nan 0.000 0.440 195 F N -0.522 119.236 119.950 -0.320 0.000 2.727 195 F HA 0.335 4.872 4.527 0.018 0.000 0.302 195 F C 0.379 176.074 175.800 -0.176 0.000 1.107 195 F CA -0.236 57.506 58.000 -0.430 0.000 1.277 195 F CB 0.653 39.090 39.000 -0.939 0.000 1.079 195 F HN -0.180 nan 8.300 nan 0.000 0.594 196 I N 0.124 120.732 120.570 0.063 0.000 2.321 196 I HA 0.166 4.348 4.170 0.020 0.000 0.291 196 I C 0.391 176.524 176.117 0.028 0.000 0.998 196 I CA -0.704 60.672 61.300 0.127 0.000 1.227 196 I CB 1.415 39.500 38.000 0.141 0.000 1.368 196 I HN -0.172 nan 8.210 nan 0.000 0.466 197 S N 7.785 123.531 115.700 0.077 0.000 2.481 197 S HA 0.255 4.737 4.470 0.020 0.000 0.276 197 S C -1.614 173.032 174.600 0.077 0.000 1.247 197 S CA -1.136 57.086 58.200 0.037 0.000 1.053 197 S CB 0.877 64.113 63.200 0.060 0.000 0.925 197 S HN 0.357 nan 8.310 nan 0.000 0.491 198 P HA -0.126 nan 4.420 nan 0.000 0.218 198 P C 1.508 178.895 177.300 0.145 0.000 1.149 198 P CA 0.824 63.955 63.100 0.051 0.000 0.817 198 P CB 0.128 31.792 31.700 -0.061 0.000 0.785 199 Q N 0.042 119.893 119.800 0.085 0.000 2.050 199 Q HA -0.132 4.220 4.340 0.020 0.000 0.202 199 Q C 1.827 177.905 176.000 0.129 0.000 0.980 199 Q CA 1.951 57.809 55.803 0.091 0.000 0.840 199 Q CB -1.276 27.489 28.738 0.045 0.000 0.898 199 Q HN 0.010 nan 8.270 nan 0.000 0.424 200 V N 0.562 120.553 119.914 0.129 0.000 2.453 200 V HA -0.138 3.994 4.120 0.020 0.000 0.247 200 V C 1.999 178.177 176.094 0.140 0.000 1.048 200 V CA 1.605 63.976 62.300 0.118 0.000 1.049 200 V CB -0.809 31.081 31.823 0.112 0.000 0.672 200 V HN 0.460 nan 8.190 nan 0.000 0.457 201 F N 0.417 120.416 119.950 0.083 0.000 2.075 201 F HA -0.264 4.277 4.527 0.023 0.000 0.297 201 F C 2.340 178.189 175.800 0.081 0.000 1.113 201 F CA 2.182 60.244 58.000 0.103 0.000 1.218 201 F CB -0.582 38.481 39.000 0.105 0.000 0.984 201 F HN 0.212 nan 8.300 nan 0.000 0.472 202 Y N 1.104 121.395 120.300 -0.014 0.000 2.181 202 Y HA -0.205 4.356 4.550 0.020 0.000 0.288 202 Y C 2.106 177.879 175.900 -0.212 0.000 1.146 202 Y CA 2.211 60.201 58.100 -0.183 0.000 1.164 202 Y CB -0.552 37.842 38.460 -0.110 0.000 0.982 202 Y HN 0.110 nan 8.280 nan 0.000 0.515 203 D N -0.792 119.592 120.400 -0.026 0.000 2.213 203 D HA -0.078 4.574 4.640 0.020 0.000 0.205 203 D C 1.757 177.977 176.300 -0.133 0.000 0.961 203 D CA 1.212 55.169 54.000 -0.071 0.000 0.853 203 D CB 0.080 40.902 40.800 0.038 0.000 0.967 203 D HN 0.453 nan 8.370 nan 0.000 0.496 204 E N -0.511 119.629 120.200 -0.099 0.000 2.399 204 E HA 0.176 4.538 4.350 0.020 0.000 0.205 204 E C 2.155 178.746 176.600 -0.015 0.000 0.906 204 E CA 0.087 56.470 56.400 -0.028 0.000 0.998 204 E CB 0.754 30.471 29.700 0.028 0.000 1.002 204 E HN 0.254 nan 8.360 nan 0.000 0.501 205 L N 0.212 121.329 121.223 -0.177 0.000 2.347 205 L HA 0.184 4.536 4.340 0.020 0.000 0.196 205 L C 2.533 179.104 176.870 -0.498 0.000 1.072 205 L CA 0.107 54.817 54.840 -0.217 0.000 0.817 205 L CB -0.324 41.686 42.059 -0.082 0.000 1.029 205 L HN -0.008 nan 8.230 nan 0.000 0.478 206 R N 1.528 121.594 120.500 -0.723 0.000 2.119 206 R HA -0.162 4.190 4.340 0.020 0.000 0.246 206 R C -0.776 175.240 176.300 -0.474 0.000 1.146 206 R CA 1.952 57.720 56.100 -0.553 0.000 0.962 206 R CB -1.725 28.172 30.300 -0.672 0.000 0.863 206 R HN 0.165 nan 8.270 nan 0.000 0.442 207 P HA -0.077 nan 4.420 nan 0.000 0.223 207 P C 0.385 177.210 177.300 -0.792 0.000 1.144 207 P CA 1.093 63.830 63.100 -0.604 0.000 0.783 207 P CB -0.104 31.207 31.700 -0.648 0.000 0.771 208 F N -3.333 116.123 119.950 -0.823 0.000 2.780 208 F HA 0.038 4.569 4.527 0.007 0.000 0.299 208 F C 0.903 176.112 175.800 -0.985 0.000 1.146 208 F CA 0.565 57.952 58.000 -1.023 0.000 1.428 208 F CB -0.453 37.718 39.000 -1.382 0.000 1.115 208 F HN -0.053 nan 8.300 nan 0.000 0.583 209 Y N -0.249 119.919 120.300 -0.221 0.000 2.708 209 Y HA 0.246 4.811 4.550 0.025 0.000 0.287 209 Y C 0.696 176.546 175.900 -0.083 0.000 1.145 209 Y CA -1.170 56.850 58.100 -0.134 0.000 1.249 209 Y CB -0.957 37.471 38.460 -0.054 0.000 1.152 209 Y HN -0.138 nan 8.280 nan 0.000 0.532 210 E N 1.554 121.735 120.200 -0.032 0.000 2.371 210 E HA 0.223 4.585 4.350 0.020 0.000 0.257 210 E C -2.363 174.252 176.600 0.024 0.000 1.134 210 E CA -1.817 54.571 56.400 -0.019 0.000 0.919 210 E CB 0.386 30.032 29.700 -0.090 0.000 1.025 210 E HN 0.069 nan 8.360 nan 0.000 0.438 211 P HA 0.201 nan 4.420 nan 0.000 0.274 211 P C -0.405 176.933 177.300 0.063 0.000 1.237 211 P CA -0.023 63.114 63.100 0.062 0.000 0.793 211 P CB 0.409 32.131 31.700 0.036 0.000 0.977 212 I N -2.114 118.523 120.570 0.112 0.000 2.892 212 I HA 0.621 4.803 4.170 0.020 0.000 0.306 212 I C -0.497 175.700 176.117 0.134 0.000 1.078 212 I CA -1.469 59.896 61.300 0.109 0.000 1.032 212 I CB 2.482 40.554 38.000 0.121 0.000 1.229 212 I HN 0.040 nan 8.210 nan 0.000 0.435 213 R N 3.251 123.812 120.500 0.102 0.000 2.265 213 R HA 0.726 5.078 4.340 0.020 0.000 0.319 213 R C -1.343 175.040 176.300 0.138 0.000 1.006 213 R CA -0.717 55.443 56.100 0.101 0.000 0.880 213 R CB 1.845 32.176 30.300 0.052 0.000 1.077 213 R HN 0.547 nan 8.270 nan 0.000 0.454 214 V N 0.979 121.016 119.914 0.206 0.000 2.733 214 V HA 0.385 4.517 4.120 0.020 0.000 0.306 214 V C 0.711 176.931 176.094 0.210 0.000 1.084 214 V CA -0.573 61.843 62.300 0.194 0.000 0.905 214 V CB 1.884 33.821 31.823 0.190 0.000 1.010 214 V HN 1.036 nan 8.190 nan 0.000 0.424 215 G N 2.769 111.643 108.800 0.123 0.000 2.249 215 G HA2 0.083 4.055 3.960 0.020 0.000 0.273 215 G HA3 0.083 4.055 3.960 0.020 0.000 0.273 215 G C 1.173 176.117 174.900 0.073 0.000 1.036 215 G CA 0.829 45.990 45.100 0.103 0.000 0.824 215 G HN 2.582 nan 8.290 nan 0.000 0.504 216 G N -1.666 107.165 108.800 0.051 0.000 2.160 216 G HA2 0.034 4.006 3.960 0.020 0.000 0.251 216 G HA3 0.034 4.006 3.960 0.020 0.000 0.251 216 G C 0.232 175.121 174.900 -0.018 0.000 1.008 216 G CA 1.577 46.686 45.100 0.016 0.000 0.724 216 G HN 2.134 nan 8.290 nan 0.000 0.514 217 Q N -1.747 118.032 119.800 -0.035 0.000 2.615 217 Q HA 0.752 5.104 4.340 0.020 0.000 0.298 217 Q C -0.812 175.067 176.000 -0.202 0.000 1.023 217 Q CA -0.526 55.185 55.803 -0.153 0.000 0.768 217 Q CB 1.229 29.812 28.738 -0.258 0.000 1.500 217 Q HN 0.550 nan 8.270 nan 0.000 0.441 218 S N 0.161 115.697 115.700 -0.274 0.000 2.442 218 S HA 0.551 5.033 4.470 0.020 0.000 0.297 218 S C -1.662 172.757 174.600 -0.301 0.000 1.131 218 S CA -0.342 57.753 58.200 -0.174 0.000 1.092 218 S CB 0.157 63.298 63.200 -0.099 0.000 0.998 218 S HN 0.429 nan 8.310 nan 0.000 0.478 219 Y N 4.184 124.538 120.300 0.090 0.000 2.335 219 Y HA 0.443 5.005 4.550 0.019 0.000 0.338 219 Y C 0.391 176.394 175.900 0.171 0.000 0.977 219 Y CA -0.888 57.322 58.100 0.183 0.000 1.114 219 Y CB 0.995 39.561 38.460 0.177 0.000 1.182 219 Y HN 0.502 nan 8.280 nan 0.000 0.463 220 L N 2.918 124.326 121.223 0.308 0.000 2.483 220 L HA 0.231 4.583 4.340 0.020 0.000 0.275 220 L C 1.179 178.111 176.870 0.105 0.000 1.220 220 L CA -0.005 54.883 54.840 0.079 0.000 0.833 220 L CB 0.208 42.169 42.059 -0.163 0.000 1.102 220 L HN 0.840 nan 8.230 nan 0.000 0.490 221 G N 1.564 110.417 108.800 0.088 0.000 2.616 221 G HA2 0.414 4.386 3.960 0.020 0.000 0.268 221 G HA3 0.414 4.386 3.960 0.020 0.000 0.268 221 G C -2.520 172.421 174.900 0.068 0.000 1.213 221 G CA -1.012 44.164 45.100 0.127 0.000 0.926 221 G HN 0.390 nan 8.290 nan 0.000 0.523 222 P HA 0.379 nan 4.420 nan 0.000 0.269 222 P C 0.109 177.303 177.300 -0.176 0.000 1.209 222 P CA 0.126 63.219 63.100 -0.011 0.000 0.776 222 P CB 1.383 33.113 31.700 0.050 0.000 0.876 223 G N -0.337 108.377 108.800 -0.142 0.000 2.616 223 G HA2 0.417 4.389 3.960 0.020 0.000 0.294 223 G HA3 0.417 4.389 3.960 0.020 0.000 0.294 223 G C 0.358 175.203 174.900 -0.092 0.000 1.489 223 G CA -0.051 44.960 45.100 -0.148 0.000 0.836 223 G HN 0.336 nan 8.290 nan 0.000 0.527 224 A N 0.447 123.238 122.820 -0.049 0.000 2.125 224 A HA 0.127 4.459 4.320 0.020 0.000 0.219 224 A C 2.473 180.019 177.584 -0.063 0.000 1.156 224 A CA 2.044 54.061 52.037 -0.033 0.000 0.671 224 A CB -0.354 18.663 19.000 0.028 0.000 0.794 224 A HN 1.598 nan 8.150 nan 0.000 0.459 225 V N 0.441 120.298 119.914 -0.095 0.000 2.546 225 V HA -0.284 3.848 4.120 0.020 0.000 0.254 225 V C 1.929 177.785 176.094 -0.397 0.000 1.076 225 V CA 2.666 64.815 62.300 -0.251 0.000 1.087 225 V CB -0.579 31.047 31.823 -0.328 0.000 0.674 225 V HN 0.749 nan 8.190 nan 0.000 0.470 226 E N -0.482 119.580 120.200 -0.230 0.000 2.482 226 E HA 0.027 4.389 4.350 0.020 0.000 0.196 226 E C 0.794 177.420 176.600 0.044 0.000 1.047 226 E CA -0.125 56.243 56.400 -0.053 0.000 0.869 226 E CB -0.072 29.641 29.700 0.023 0.000 0.836 226 E HN 0.599 nan 8.360 nan 0.000 0.520 227 M N 2.232 121.813 119.600 -0.031 0.000 2.248 227 M HA 0.021 4.513 4.480 0.020 0.000 0.345 227 M C -1.730 174.532 176.300 -0.064 0.000 1.243 227 M CA -1.177 54.078 55.300 -0.075 0.000 1.090 227 M CB 0.331 32.851 32.600 -0.133 0.000 1.683 227 M HN -0.202 nan 8.290 nan 0.000 0.450 228 P HA -0.033 nan 4.420 nan 0.000 0.259 228 P C 0.842 177.836 177.300 -0.509 0.000 1.480 228 P CA 0.241 63.061 63.100 -0.468 0.000 0.842 228 P CB -0.154 31.194 31.700 -0.586 0.000 1.513 229 L N 0.871 121.927 121.223 -0.277 0.000 2.042 229 L HA -0.176 4.176 4.340 0.020 0.000 0.210 229 L C 2.251 179.048 176.870 -0.121 0.000 1.076 229 L CA 1.939 56.652 54.840 -0.211 0.000 0.749 229 L CB -1.538 40.421 42.059 -0.166 0.000 0.893 229 L HN 0.013 nan 8.230 nan 0.000 0.432 230 F N -2.401 117.526 119.950 -0.039 0.000 2.202 230 F HA -0.111 4.428 4.527 0.020 0.000 0.301 230 F C 1.900 177.713 175.800 0.022 0.000 1.082 230 F CA 1.388 59.411 58.000 0.038 0.000 1.313 230 F CB -1.571 37.425 39.000 -0.007 0.000 1.024 230 F HN -0.097 nan 8.300 nan 0.000 0.495 231 V N 1.332 120.760 119.914 -0.809 0.000 2.379 231 V HA -0.242 3.890 4.120 0.020 0.000 0.245 231 V C 2.586 178.531 176.094 -0.249 0.000 1.044 231 V CA 1.720 63.748 62.300 -0.455 0.000 1.036 231 V CB -0.711 30.772 31.823 -0.567 0.000 0.664 231 V HN 0.568 nan 8.190 nan 0.000 0.453 232 L N 0.055 121.088 121.223 -0.317 0.000 1.990 232 L HA -0.255 4.097 4.340 0.020 0.000 0.213 232 L C 2.568 179.315 176.870 -0.206 0.000 1.072 232 L CA 2.101 56.783 54.840 -0.264 0.000 0.755 232 L CB -0.289 41.610 42.059 -0.266 0.000 0.889 232 L HN 0.371 nan 8.230 nan 0.000 0.432 233 E N -1.723 118.378 120.200 -0.167 0.000 2.216 233 E HA -0.246 4.116 4.350 0.020 0.000 0.192 233 E C 1.888 178.232 176.600 -0.426 0.000 0.988 233 E CA 0.825 57.059 56.400 -0.278 0.000 0.834 233 E CB -0.094 29.496 29.700 -0.184 0.000 0.772 233 E HN 0.618 nan 8.360 nan 0.000 0.479 234 H N 0.740 119.631 119.070 -0.298 0.000 2.319 234 H HA -0.134 4.434 4.556 0.020 0.000 0.299 234 H C 1.914 177.081 175.328 -0.269 0.000 1.092 234 H CA 1.936 57.828 56.048 -0.259 0.000 1.302 234 H CB -0.099 29.549 29.762 -0.191 0.000 1.373 234 H HN -0.065 nan 8.280 nan 0.000 0.497 235 V N 0.253 120.001 119.914 -0.277 0.000 2.307 235 V HA -0.192 3.940 4.120 0.020 0.000 0.245 235 V C 2.570 178.524 176.094 -0.234 0.000 1.045 235 V CA 1.586 63.606 62.300 -0.467 0.000 1.024 235 V CB -0.749 30.634 31.823 -0.734 0.000 0.651 235 V HN 0.387 nan 8.190 nan 0.000 0.449 236 L N 0.396 121.529 121.223 -0.150 0.000 2.027 236 L HA -0.096 4.256 4.340 0.020 0.000 0.206 236 L C 2.022 179.045 176.870 0.254 0.000 1.074 236 L CA 2.340 57.202 54.840 0.036 0.000 0.745 236 L CB -0.413 41.656 42.059 0.017 0.000 0.898 236 L HN 0.697 nan 8.230 nan 0.000 0.433 237 W N -3.673 117.707 121.300 0.134 0.000 2.576 237 W HA 0.452 5.124 4.660 0.020 0.000 0.236 237 W C 1.210 177.819 176.519 0.151 0.000 0.989 237 W CA 0.382 57.842 57.345 0.192 0.000 1.254 237 W CB -0.377 29.283 29.460 0.333 0.000 0.857 237 W HN 0.122 nan 8.180 nan 0.000 0.662 238 G N 1.891 110.517 108.800 -0.290 0.000 3.088 238 G HA2 -0.021 3.951 3.960 0.020 0.000 0.217 238 G HA3 -0.021 3.951 3.960 0.020 0.000 0.217 238 G C 1.492 176.382 174.900 -0.016 0.000 1.159 238 G CA 0.928 45.935 45.100 -0.154 0.000 0.760 238 G HN 0.191 nan 8.290 nan 0.000 0.550 239 S N 0.195 115.700 115.700 -0.324 0.000 2.387 239 S HA -0.178 4.304 4.470 0.020 0.000 0.230 239 S C 1.840 176.367 174.600 -0.122 0.000 1.035 239 S CA 1.276 59.124 58.200 -0.587 0.000 1.014 239 S CB -0.210 62.616 63.200 -0.622 0.000 0.836 239 S HN 0.397 nan 8.310 nan 0.000 0.466 240 Q N 0.991 120.801 119.800 0.017 0.000 2.220 240 Q HA 0.299 4.651 4.340 0.020 0.000 0.205 240 Q C 0.201 176.288 176.000 0.145 0.000 0.865 240 Q CA -0.274 55.579 55.803 0.084 0.000 0.960 240 Q CB 0.500 29.290 28.738 0.087 0.000 1.097 240 Q HN 0.595 nan 8.270 nan 0.000 0.493 241 S N 1.454 117.284 115.700 0.217 0.000 2.560 241 S HA -0.040 4.442 4.470 0.020 0.000 0.284 241 S C 0.602 175.345 174.600 0.238 0.000 1.327 241 S CA -0.068 58.303 58.200 0.284 0.000 1.055 241 S CB 0.591 64.078 63.200 0.478 0.000 0.868 241 S HN 0.363 nan 8.310 nan 0.000 0.506 242 D N 1.944 122.464 120.400 0.200 0.000 2.369 242 D HA 0.058 4.710 4.640 0.020 0.000 0.211 242 D C 0.068 176.472 176.300 0.174 0.000 1.077 242 D CA -0.240 53.856 54.000 0.161 0.000 0.842 242 D CB -0.312 40.559 40.800 0.117 0.000 0.947 242 D HN 0.527 nan 8.370 nan 0.000 0.509 243 D N 1.644 122.181 120.400 0.227 0.000 2.382 243 D HA -0.087 4.565 4.640 0.020 0.000 0.259 243 D C 0.811 177.260 176.300 0.249 0.000 1.224 243 D CA 0.125 54.264 54.000 0.232 0.000 0.894 243 D CB 1.220 42.178 40.800 0.264 0.000 1.127 243 D HN 0.163 nan 8.370 nan 0.000 0.487 244 Q N 2.455 122.364 119.800 0.181 0.000 2.172 244 Q HA -0.109 4.243 4.340 0.020 0.000 0.200 244 Q C 1.292 177.398 176.000 0.175 0.000 0.964 244 Q CA 1.048 56.945 55.803 0.156 0.000 0.855 244 Q CB 0.329 29.137 28.738 0.115 0.000 0.918 244 Q HN 0.511 nan 8.270 nan 0.000 0.444 245 T N 0.250 114.920 114.554 0.194 0.000 2.746 245 T HA -0.184 4.178 4.350 0.020 0.000 0.267 245 T C 1.354 176.222 174.700 0.281 0.000 1.039 245 T CA 1.378 63.607 62.100 0.215 0.000 1.142 245 T CB -0.456 68.520 68.868 0.181 0.000 0.866 245 T HN 0.425 nan 8.240 nan 0.000 0.444 246 Y N 2.492 122.894 120.300 0.169 0.000 2.163 246 Y HA -0.043 4.518 4.550 0.020 0.000 0.288 246 Y C 2.643 178.709 175.900 0.277 0.000 1.136 246 Y CA 1.232 59.467 58.100 0.225 0.000 1.147 246 Y CB -0.444 38.147 38.460 0.219 0.000 0.987 246 Y HN -0.023 nan 8.280 nan 0.000 0.509 247 R N 0.581 121.125 120.500 0.072 0.000 2.096 247 R HA -0.226 4.126 4.340 0.020 0.000 0.240 247 R C 2.066 178.372 176.300 0.009 0.000 1.139 247 R CA 2.310 58.405 56.100 -0.008 0.000 0.952 247 R CB -0.419 29.934 30.300 0.088 0.000 0.854 247 R HN 0.517 nan 8.270 nan 0.000 0.436 248 E N -0.420 119.831 120.200 0.084 0.000 2.077 248 E HA -0.209 4.153 4.350 0.020 0.000 0.193 248 E C 1.743 178.390 176.600 0.078 0.000 0.989 248 E CA 1.416 57.863 56.400 0.078 0.000 0.800 248 E CB -0.277 29.508 29.700 0.143 0.000 0.746 248 E HN 0.358 nan 8.360 nan 0.000 0.452 249 F N 2.232 122.192 119.950 0.017 0.000 2.069 249 F HA -0.224 4.314 4.527 0.019 0.000 0.298 249 F C 1.888 177.596 175.800 -0.152 0.000 1.113 249 F CA 1.661 59.654 58.000 -0.013 0.000 1.214 249 F CB -0.062 38.883 39.000 -0.093 0.000 0.978 249 F HN -0.216 nan 8.300 nan 0.000 0.474 250 K N 0.156 120.264 120.400 -0.487 0.000 2.063 250 K HA -0.195 4.137 4.320 0.020 0.000 0.208 250 K C 1.990 178.186 176.600 -0.672 0.000 1.048 250 K CA 2.047 57.912 56.287 -0.703 0.000 0.928 250 K CB -0.374 32.022 32.500 -0.172 0.000 0.713 250 K HN 0.447 nan 8.250 nan 0.000 0.442 251 E N 0.070 120.033 120.200 -0.395 0.000 2.204 251 E HA -0.107 4.255 4.350 0.020 0.000 0.194 251 E C 1.901 178.286 176.600 -0.359 0.000 0.989 251 E CA 1.116 57.317 56.400 -0.332 0.000 0.824 251 E CB -0.037 29.565 29.700 -0.164 0.000 0.756 251 E HN 0.255 nan 8.360 nan 0.000 0.477 252 T N 0.456 114.735 114.554 -0.457 0.000 2.699 252 T HA -0.188 4.174 4.350 0.020 0.000 0.268 252 T C 1.200 175.486 174.700 -0.690 0.000 1.036 252 T CA 1.392 63.135 62.100 -0.595 0.000 1.147 252 T CB -0.271 68.144 68.868 -0.755 0.000 0.862 252 T HN 0.261 nan 8.240 nan 0.000 0.446 253 Y N -0.068 119.979 120.300 -0.423 0.000 2.500 253 Y HA 0.329 4.890 4.550 0.020 0.000 0.270 253 Y C 1.806 177.746 175.900 0.066 0.000 1.134 253 Y CA -0.725 57.224 58.100 -0.252 0.000 1.293 253 Y CB -0.424 37.603 38.460 -0.722 0.000 1.063 253 Y HN 0.044 nan 8.280 nan 0.000 0.534 254 L N 1.406 122.625 121.223 -0.006 0.000 2.051 254 L HA -0.175 4.177 4.340 0.020 0.000 0.214 254 L C -0.699 176.218 176.870 0.078 0.000 1.076 254 L CA 2.139 57.022 54.840 0.073 0.000 0.758 254 L CB -1.610 40.327 42.059 -0.204 0.000 0.890 254 L HN 0.060 nan 8.230 nan 0.000 0.433 255 P HA -0.156 nan 4.420 nan 0.000 0.222 255 P C 0.849 178.014 177.300 -0.226 0.000 1.147 255 P CA 1.423 64.419 63.100 -0.173 0.000 0.790 255 P CB -0.087 31.393 31.700 -0.366 0.000 0.780 256 Y N -1.500 118.884 120.300 0.140 0.000 2.500 256 Y HA 0.055 4.618 4.550 0.020 0.000 0.270 256 Y C 1.461 177.457 175.900 0.160 0.000 1.134 256 Y CA -0.341 57.856 58.100 0.161 0.000 1.293 256 Y CB -0.480 38.090 38.460 0.184 0.000 1.063 256 Y HN -0.189 nan 8.280 nan 0.000 0.534 257 V N -1.323 118.764 119.914 0.288 0.000 2.997 257 V HA 0.301 4.433 4.120 0.020 0.000 0.311 257 V C 0.343 176.546 176.094 0.182 0.000 1.066 257 V CA -1.846 60.597 62.300 0.239 0.000 1.039 257 V CB 0.983 32.945 31.823 0.232 0.000 1.081 257 V HN 0.071 nan 8.190 nan 0.000 0.467 258 L N 3.054 124.385 121.223 0.179 0.000 2.543 258 L HA 0.094 4.446 4.340 0.020 0.000 0.285 258 L C -1.161 175.683 176.870 -0.044 0.000 1.236 258 L CA -0.677 54.186 54.840 0.040 0.000 0.871 258 L CB 0.032 42.011 42.059 -0.132 0.000 1.121 258 L HN 0.527 nan 8.230 nan 0.000 0.501 259 P HA -0.268 nan 4.420 nan 0.000 0.216 259 P C 1.288 178.529 177.300 -0.098 0.000 1.154 259 P CA 1.871 64.943 63.100 -0.047 0.000 0.865 259 P CB 0.155 31.826 31.700 -0.048 0.000 0.789 260 A N -1.695 120.984 122.820 -0.234 0.000 1.933 260 A HA -0.224 4.108 4.320 0.020 0.000 0.218 260 A C 1.839 179.338 177.584 -0.142 0.000 1.175 260 A CA 1.572 53.458 52.037 -0.252 0.000 0.628 260 A CB -1.772 16.984 19.000 -0.407 0.000 0.814 260 A HN 0.165 nan 8.150 nan 0.000 0.444 261 Y N -0.079 120.218 120.300 -0.005 0.000 2.395 261 Y HA -0.003 4.559 4.550 0.020 0.000 0.293 261 Y C 2.442 178.336 175.900 -0.010 0.000 1.123 261 Y CA 0.600 58.679 58.100 -0.034 0.000 1.227 261 Y CB -0.519 37.880 38.460 -0.102 0.000 1.012 261 Y HN 0.273 nan 8.280 nan 0.000 0.552 262 R N 0.117 120.687 120.500 0.117 0.000 2.096 262 R HA -0.114 4.238 4.340 0.020 0.000 0.235 262 R C 2.401 178.773 176.300 0.120 0.000 1.127 262 R CA 1.279 57.429 56.100 0.084 0.000 0.968 262 R CB -0.656 29.666 30.300 0.037 0.000 0.861 262 R HN 0.318 nan 8.270 nan 0.000 0.440 263 A N 0.906 123.777 122.820 0.084 0.000 1.929 263 A HA -0.041 4.291 4.320 0.020 0.000 0.216 263 A C 2.408 180.056 177.584 0.106 0.000 1.176 263 A CA 0.864 52.942 52.037 0.069 0.000 0.628 263 A CB -0.358 18.654 19.000 0.020 0.000 0.816 263 A HN 0.082 nan 8.150 nan 0.000 0.444 264 V N -1.249 118.760 119.914 0.159 0.000 2.287 264 V HA -0.315 3.817 4.120 0.020 0.000 0.248 264 V C 2.326 178.607 176.094 0.312 0.000 1.053 264 V CA 2.258 64.701 62.300 0.238 0.000 1.027 264 V CB -1.009 30.960 31.823 0.245 0.000 0.646 264 V HN 0.724 nan 8.190 nan 0.000 0.447 265 Y N 1.135 121.503 120.300 0.114 0.000 2.128 265 Y HA -0.265 4.297 4.550 0.021 0.000 0.284 265 Y C 2.414 178.383 175.900 0.115 0.000 1.154 265 Y CA 1.924 60.062 58.100 0.064 0.000 1.149 265 Y CB -0.483 37.909 38.460 -0.113 0.000 0.976 265 Y HN 0.164 nan 8.280 nan 0.000 0.505 266 A N 0.535 123.524 122.820 0.280 0.000 1.908 266 A HA -0.265 4.067 4.320 0.020 0.000 0.218 266 A C 2.300 179.903 177.584 0.033 0.000 1.181 266 A CA 1.968 54.101 52.037 0.161 0.000 0.627 266 A CB -0.906 18.164 19.000 0.117 0.000 0.818 266 A HN 0.583 nan 8.150 nan 0.000 0.445 267 R N -1.784 118.695 120.500 -0.035 0.000 2.105 267 R HA -0.132 4.220 4.340 0.020 0.000 0.239 267 R C 1.194 177.229 176.300 -0.442 0.000 1.135 267 R CA 1.980 57.913 56.100 -0.279 0.000 0.967 267 R CB -0.311 29.728 30.300 -0.435 0.000 0.861 267 R HN 0.490 nan 8.270 nan 0.000 0.442 268 F N -0.112 119.771 119.950 -0.111 0.000 2.721 268 F HA 0.288 4.827 4.527 0.020 0.000 0.301 268 F C 0.723 176.431 175.800 -0.153 0.000 1.096 268 F CA -0.212 57.678 58.000 -0.184 0.000 1.308 268 F CB 0.402 39.235 39.000 -0.279 0.000 1.086 268 F HN -0.194 nan 8.300 nan 0.000 0.587 269 S N 0.100 115.853 115.700 0.088 0.000 2.560 269 S HA 0.349 4.831 4.470 0.020 0.000 0.284 269 S C 1.244 175.864 174.600 0.033 0.000 1.327 269 S CA 0.535 58.781 58.200 0.077 0.000 1.055 269 S CB 0.377 63.629 63.200 0.087 0.000 0.868 269 S HN 0.669 nan 8.310 nan 0.000 0.506 270 G N 1.708 110.527 108.800 0.032 0.000 2.168 270 G HA2 -0.254 3.718 3.960 0.020 0.000 0.257 270 G HA3 -0.254 3.718 3.960 0.020 0.000 0.257 270 G C -0.148 174.779 174.900 0.044 0.000 0.997 270 G CA 0.675 45.801 45.100 0.044 0.000 0.708 270 G HN 0.842 nan 8.290 nan 0.000 0.520 271 E N -0.093 120.136 120.200 0.049 0.000 2.314 271 E HA 0.591 4.953 4.350 0.020 0.000 0.272 271 E C -2.933 173.747 176.600 0.134 0.000 0.884 271 E CA -2.621 53.833 56.400 0.090 0.000 0.753 271 E CB 2.175 31.931 29.700 0.093 0.000 1.213 271 E HN -0.008 nan 8.360 nan 0.000 0.432 272 P HA -0.066 nan 4.420 nan 0.000 0.261 272 P C -0.701 176.745 177.300 0.243 0.000 1.165 272 P CA 0.538 63.731 63.100 0.155 0.000 0.759 272 P CB 0.551 32.323 31.700 0.121 0.000 0.772 273 A N 3.582 126.513 122.820 0.184 0.000 2.327 273 A HA 0.097 4.429 4.320 0.020 0.000 0.255 273 A C 1.609 179.340 177.584 0.246 0.000 1.099 273 A CA -0.339 51.824 52.037 0.211 0.000 0.801 273 A CB -0.404 18.686 19.000 0.150 0.000 1.062 273 A HN 0.728 nan 8.150 nan 0.000 0.496 274 L N 0.745 122.138 121.223 0.283 0.000 2.021 274 L HA -0.227 4.126 4.340 0.020 0.000 0.215 274 L C 2.318 179.268 176.870 0.132 0.000 1.074 274 L CA 2.591 57.525 54.840 0.156 0.000 0.760 274 L CB -0.421 41.770 42.059 0.220 0.000 0.889 274 L HN 0.875 nan 8.230 nan 0.000 0.433 275 I N -3.346 117.357 120.570 0.221 0.000 2.546 275 I HA -0.184 3.998 4.170 0.020 0.000 0.255 275 I C 1.718 177.904 176.117 0.114 0.000 1.163 275 I CA 1.301 62.727 61.300 0.210 0.000 1.457 275 I CB -0.593 37.589 38.000 0.303 0.000 1.092 275 I HN 0.176 nan 8.210 nan 0.000 0.434 276 D N 1.478 121.943 120.400 0.109 0.000 2.117 276 D HA -0.175 4.477 4.640 0.020 0.000 0.198 276 D C 2.175 178.489 176.300 0.022 0.000 0.982 276 D CA 0.973 55.013 54.000 0.067 0.000 0.828 276 D CB -0.421 40.430 40.800 0.085 0.000 0.967 276 D HN 0.357 nan 8.370 nan 0.000 0.464 277 R N 1.238 121.735 120.500 -0.004 0.000 2.062 277 R HA -0.033 4.319 4.340 0.020 0.000 0.231 277 R C 2.094 178.356 176.300 -0.062 0.000 1.136 277 R CA 1.407 57.470 56.100 -0.062 0.000 0.948 277 R CB -0.579 29.615 30.300 -0.177 0.000 0.845 277 R HN 0.098 nan 8.270 nan 0.000 0.430 278 A N 1.351 124.146 122.820 -0.042 0.000 1.908 278 A HA -0.146 4.186 4.320 0.020 0.000 0.218 278 A C 2.462 179.989 177.584 -0.095 0.000 1.181 278 A CA 1.457 53.441 52.037 -0.088 0.000 0.627 278 A CB -0.624 18.363 19.000 -0.022 0.000 0.818 278 A HN 0.356 nan 8.150 nan 0.000 0.445 279 L N -0.816 120.382 121.223 -0.041 0.000 2.156 279 L HA -0.136 4.216 4.340 0.020 0.000 0.208 279 L C 1.968 178.812 176.870 -0.043 0.000 1.095 279 L CA 1.106 55.921 54.840 -0.042 0.000 0.770 279 L CB -0.562 41.484 42.059 -0.022 0.000 0.914 279 L HN 0.284 nan 8.230 nan 0.000 0.439 280 D N -0.049 120.331 120.400 -0.034 0.000 2.117 280 D HA -0.206 4.446 4.640 0.020 0.000 0.198 280 D C 2.008 178.283 176.300 -0.042 0.000 0.982 280 D CA 1.035 55.017 54.000 -0.030 0.000 0.828 280 D CB 0.059 40.847 40.800 -0.020 0.000 0.967 280 D HN 0.324 nan 8.370 nan 0.000 0.464 281 E N 0.470 120.634 120.200 -0.060 0.000 2.058 281 E HA -0.190 4.172 4.350 0.020 0.000 0.194 281 E C 1.993 178.549 176.600 -0.074 0.000 0.997 281 E CA 1.184 57.541 56.400 -0.071 0.000 0.801 281 E CB -0.010 29.632 29.700 -0.097 0.000 0.746 281 E HN 0.170 nan 8.360 nan 0.000 0.450 282 A N 1.120 123.886 122.820 -0.090 0.000 1.908 282 A HA -0.206 4.126 4.320 0.020 0.000 0.218 282 A C 2.170 179.721 177.584 -0.055 0.000 1.181 282 A CA 1.529 53.517 52.037 -0.081 0.000 0.627 282 A CB -0.507 18.440 19.000 -0.089 0.000 0.818 282 A HN 0.176 nan 8.150 nan 0.000 0.445 283 R N -0.865 119.608 120.500 -0.046 0.000 2.081 283 R HA -0.099 4.253 4.340 0.020 0.000 0.235 283 R C 2.465 178.748 176.300 -0.029 0.000 1.131 283 R CA 1.226 57.305 56.100 -0.034 0.000 0.960 283 R CB -0.376 29.907 30.300 -0.027 0.000 0.856 283 R HN 0.537 nan 8.270 nan 0.000 0.436 284 A N 0.025 122.828 122.820 -0.030 0.000 1.929 284 A HA -0.067 4.265 4.320 0.020 0.000 0.216 284 A C 2.118 179.688 177.584 -0.024 0.000 1.176 284 A CA 1.151 53.174 52.037 -0.024 0.000 0.628 284 A CB -0.035 18.951 19.000 -0.022 0.000 0.816 284 A HN 0.145 nan 8.150 nan 0.000 0.444 285 V N -1.253 118.643 119.914 -0.030 0.000 3.307 285 V HA 0.374 4.506 4.120 0.020 0.000 0.253 285 V C 1.237 177.314 176.094 -0.029 0.000 1.149 285 V CA 0.821 63.104 62.300 -0.028 0.000 1.112 285 V CB -0.949 30.855 31.823 -0.032 0.000 0.777 285 V HN 1.177 nan 8.190 nan 0.000 0.464 286 G N 0.803 109.583 108.800 -0.033 0.000 2.721 286 G HA2 -0.196 3.776 3.960 0.020 0.000 0.686 286 G HA3 -0.196 3.776 3.960 0.020 0.000 0.686 286 G C 0.400 175.277 174.900 -0.038 0.000 1.236 286 G CA 0.001 45.082 45.100 -0.032 0.000 0.786 286 G HN 0.512 nan 8.290 nan 0.000 0.616 287 T N -0.882 113.650 114.554 -0.037 0.000 3.160 287 T HA 0.072 4.434 4.350 0.020 0.000 0.257 287 T C 2.009 176.686 174.700 -0.038 0.000 1.147 287 T CA 1.292 63.369 62.100 -0.039 0.000 1.064 287 T CB 0.073 68.920 68.868 -0.034 0.000 0.949 287 T HN 0.647 nan 8.240 nan 0.000 0.526 288 R N 1.410 121.888 120.500 -0.036 0.000 2.148 288 R HA 0.023 4.375 4.340 0.020 0.000 0.227 288 R C 0.936 177.204 176.300 -0.052 0.000 1.103 288 R CA 0.737 56.813 56.100 -0.039 0.000 0.983 288 R CB -0.198 30.083 30.300 -0.032 0.000 0.874 288 R HN 0.464 nan 8.270 nan 0.000 0.451 289 D N 0.790 121.159 120.400 -0.052 0.000 2.434 289 D HA -0.103 4.550 4.640 0.020 0.000 0.252 289 D C 0.806 177.045 176.300 -0.101 0.000 1.185 289 D CA 0.211 54.170 54.000 -0.069 0.000 0.886 289 D CB 1.243 42.020 40.800 -0.038 0.000 1.148 289 D HN 0.062 nan 8.370 nan 0.000 0.483 290 E N 3.834 123.921 120.200 -0.188 0.000 2.160 290 E HA -0.243 4.119 4.350 0.020 0.000 0.195 290 E C 1.175 177.664 176.600 -0.185 0.000 0.991 290 E CA 1.646 57.914 56.400 -0.220 0.000 0.810 290 E CB -0.096 29.431 29.700 -0.289 0.000 0.742 290 E HN 0.560 nan 8.360 nan 0.000 0.466 291 H N -0.608 118.460 119.070 -0.005 0.000 2.436 291 H HA 0.051 4.619 4.556 0.020 0.000 0.294 291 H C 2.195 177.505 175.328 -0.031 0.000 1.048 291 H CA 1.230 57.279 56.048 0.002 0.000 1.353 291 H CB -0.270 29.498 29.762 0.011 0.000 1.414 291 H HN 0.102 nan 8.280 nan 0.000 0.536 292 V N 1.402 121.334 119.914 0.031 0.000 2.295 292 V HA -0.223 3.909 4.120 0.020 0.000 0.246 292 V C 2.722 178.789 176.094 -0.044 0.000 1.049 292 V CA 1.502 63.770 62.300 -0.054 0.000 1.024 292 V CB -0.273 31.511 31.823 -0.065 0.000 0.648 292 V HN 0.314 nan 8.190 nan 0.000 0.447 293 R N -0.106 120.379 120.500 -0.024 0.000 2.080 293 R HA -0.179 4.173 4.340 0.020 0.000 0.236 293 R C 2.397 178.709 176.300 0.020 0.000 1.137 293 R CA 1.781 57.875 56.100 -0.011 0.000 0.943 293 R CB -0.815 29.474 30.300 -0.018 0.000 0.846 293 R HN 0.541 nan 8.270 nan 0.000 0.431 294 A N 0.347 123.195 122.820 0.046 0.000 1.930 294 A HA -0.068 4.264 4.320 0.020 0.000 0.217 294 A C 2.379 180.038 177.584 0.125 0.000 1.175 294 A CA 1.773 53.862 52.037 0.087 0.000 0.627 294 A CB -0.961 18.110 19.000 0.119 0.000 0.815 294 A HN 0.486 nan 8.150 nan 0.000 0.443 295 G N -0.122 108.751 108.800 0.123 0.000 2.421 295 G HA2 -0.174 3.798 3.960 0.020 0.000 0.216 295 G HA3 -0.174 3.798 3.960 0.020 0.000 0.216 295 G C 1.548 176.546 174.900 0.165 0.000 1.171 295 G CA 1.073 46.290 45.100 0.194 0.000 0.775 295 G HN 0.431 nan 8.290 nan 0.000 0.543 296 L N 0.387 121.633 121.223 0.037 0.000 2.093 296 L HA -0.047 4.305 4.340 0.020 0.000 0.208 296 L C 3.176 180.104 176.870 0.096 0.000 1.085 296 L CA 1.351 56.221 54.840 0.052 0.000 0.755 296 L CB -0.622 41.432 42.059 -0.008 0.000 0.904 296 L HN 0.176 nan 8.230 nan 0.000 0.435 297 T N -0.021 114.583 114.554 0.083 0.000 2.708 297 T HA -0.165 4.197 4.350 0.020 0.000 0.266 297 T C 2.032 176.798 174.700 0.110 0.000 1.037 297 T CA 1.354 63.503 62.100 0.081 0.000 1.146 297 T CB -0.228 68.677 68.868 0.061 0.000 0.865 297 T HN 0.435 nan 8.240 nan 0.000 0.435 298 A N 1.158 124.060 122.820 0.136 0.000 1.933 298 A HA -0.007 4.325 4.320 0.020 0.000 0.218 298 A C 2.229 179.911 177.584 0.163 0.000 1.175 298 A CA 1.169 53.290 52.037 0.139 0.000 0.628 298 A CB -0.779 18.314 19.000 0.154 0.000 0.814 298 A HN 0.383 nan 8.150 nan 0.000 0.444 299 L N 0.145 121.510 121.223 0.236 0.000 2.093 299 L HA -0.129 4.223 4.340 0.020 0.000 0.208 299 L C 2.281 179.344 176.870 0.322 0.000 1.085 299 L CA 2.515 57.528 54.840 0.289 0.000 0.755 299 L CB -0.627 41.659 42.059 0.380 0.000 0.904 299 L HN 0.624 nan 8.230 nan 0.000 0.435 300 E N -0.648 119.696 120.200 0.240 0.000 2.118 300 E HA -0.258 4.104 4.350 0.020 0.000 0.195 300 E C 2.234 178.954 176.600 0.199 0.000 0.992 300 E CA 1.095 57.625 56.400 0.216 0.000 0.804 300 E CB -0.024 29.741 29.700 0.108 0.000 0.741 300 E HN 0.490 nan 8.360 nan 0.000 0.458 301 R N -0.054 120.530 120.500 0.140 0.000 2.148 301 R HA -0.081 4.271 4.340 0.020 0.000 0.227 301 R C 2.417 178.763 176.300 0.076 0.000 1.103 301 R CA 1.030 57.188 56.100 0.096 0.000 0.983 301 R CB -0.103 30.239 30.300 0.070 0.000 0.874 301 R HN 0.126 nan 8.270 nan 0.000 0.451 302 V N 0.531 120.484 119.914 0.065 0.000 2.343 302 V HA -0.238 3.894 4.120 0.020 0.000 0.247 302 V C 1.878 177.901 176.094 -0.119 0.000 1.051 302 V CA 1.794 64.061 62.300 -0.055 0.000 1.036 302 V CB -0.489 31.254 31.823 -0.134 0.000 0.654 302 V HN 0.149 nan 8.190 nan 0.000 0.451 303 F N 0.486 120.450 119.950 0.023 0.000 2.146 303 F HA -0.119 4.420 4.527 0.020 0.000 0.298 303 F C 2.415 178.201 175.800 -0.024 0.000 1.096 303 F CA 1.956 59.947 58.000 -0.015 0.000 1.275 303 F CB -0.473 38.493 39.000 -0.056 0.000 1.008 303 F HN 0.030 nan 8.300 nan 0.000 0.480 304 K N 0.365 120.863 120.400 0.163 0.000 2.044 304 K HA -0.210 4.122 4.320 0.020 0.000 0.210 304 K C 2.177 178.812 176.600 0.059 0.000 1.049 304 K CA 1.661 58.004 56.287 0.094 0.000 0.927 304 K CB -0.575 31.974 32.500 0.082 0.000 0.713 304 K HN 0.186 nan 8.250 nan 0.000 0.443 305 V N 1.030 120.971 119.914 0.044 0.000 2.548 305 V HA -0.137 3.995 4.120 0.020 0.000 0.249 305 V C 1.965 178.096 176.094 0.061 0.000 1.055 305 V CA 1.297 63.621 62.300 0.040 0.000 1.065 305 V CB -0.180 31.655 31.823 0.020 0.000 0.681 305 V HN 0.358 nan 8.190 nan 0.000 0.462 306 L N -0.689 120.557 121.223 0.038 0.000 2.046 306 L HA -0.174 4.178 4.340 0.020 0.000 0.208 306 L C 2.390 179.328 176.870 0.113 0.000 1.077 306 L CA 1.687 56.579 54.840 0.086 0.000 0.747 306 L CB -0.435 41.646 42.059 0.036 0.000 0.896 306 L HN 0.322 nan 8.230 nan 0.000 0.432 307 L N -0.959 120.275 121.223 0.018 0.000 2.156 307 L HA -0.130 4.222 4.340 0.020 0.000 0.208 307 L C 2.670 179.523 176.870 -0.029 0.000 1.095 307 L CA 0.901 55.692 54.840 -0.083 0.000 0.770 307 L CB -0.430 41.532 42.059 -0.163 0.000 0.914 307 L HN 0.161 nan 8.230 nan 0.000 0.439 308 R N -0.776 119.744 120.500 0.032 0.000 2.189 308 R HA -0.141 4.211 4.340 0.020 0.000 0.223 308 R C 2.138 178.487 176.300 0.081 0.000 1.092 308 R CA 1.193 57.318 56.100 0.042 0.000 0.989 308 R CB -0.196 30.135 30.300 0.051 0.000 0.876 308 R HN 0.298 nan 8.270 nan 0.000 0.457 309 F N 1.091 121.035 119.950 -0.010 0.000 2.147 309 F HA -0.006 4.532 4.527 0.019 0.000 0.291 309 F C 2.429 178.245 175.800 0.025 0.000 1.093 309 F CA 1.053 59.056 58.000 0.006 0.000 1.263 309 F CB -0.203 38.788 39.000 -0.015 0.000 1.036 309 F HN -0.296 nan 8.300 nan 0.000 0.481 310 R N 0.465 120.756 120.500 -0.349 0.000 2.075 310 R HA -0.032 4.320 4.340 0.020 0.000 0.232 310 R C 2.336 178.451 176.300 -0.309 0.000 1.126 310 R CA 1.359 57.164 56.100 -0.491 0.000 0.963 310 R CB -0.652 29.567 30.300 -0.134 0.000 0.858 310 R HN 0.407 nan 8.270 nan 0.000 0.435 311 A N 1.221 123.928 122.820 -0.188 0.000 1.873 311 A HA -0.011 4.321 4.320 0.020 0.000 0.215 311 A C -0.545 176.974 177.584 -0.108 0.000 1.186 311 A CA 0.899 52.873 52.037 -0.105 0.000 0.616 311 A CB -1.293 17.688 19.000 -0.032 0.000 0.823 311 A HN 0.360 nan 8.150 nan 0.000 0.442 312 P HA -0.153 nan 4.420 nan 0.000 0.221 312 P C 1.409 178.645 177.300 -0.108 0.000 1.150 312 P CA 1.320 64.348 63.100 -0.121 0.000 0.800 312 P CB -0.332 31.298 31.700 -0.117 0.000 0.787 313 H N 0.315 119.204 119.070 -0.301 0.000 2.387 313 H HA -0.097 4.471 4.556 0.020 0.000 0.299 313 H C 1.785 177.008 175.328 -0.175 0.000 1.090 313 H CA 1.134 56.998 56.048 -0.307 0.000 1.332 313 H CB -0.515 28.822 29.762 -0.708 0.000 1.386 313 H HN -0.039 nan 8.280 nan 0.000 0.516 314 L N 1.668 122.793 121.223 -0.163 0.000 2.042 314 L HA -0.165 4.187 4.340 0.020 0.000 0.210 314 L C 2.272 179.075 176.870 -0.111 0.000 1.076 314 L CA 1.677 56.440 54.840 -0.128 0.000 0.749 314 L CB -0.393 41.630 42.059 -0.059 0.000 0.893 314 L HN 0.070 nan 8.230 nan 0.000 0.432 315 K N -0.482 119.875 120.400 -0.072 0.000 2.057 315 K HA -0.146 4.186 4.320 0.020 0.000 0.206 315 K C 2.132 178.759 176.600 0.046 0.000 1.050 315 K CA 1.555 57.841 56.287 -0.001 0.000 0.935 315 K CB -0.960 31.546 32.500 0.010 0.000 0.715 315 K HN 0.326 nan 8.250 nan 0.000 0.439 316 L N 1.595 122.842 121.223 0.041 0.000 1.990 316 L HA -0.217 4.135 4.340 0.020 0.000 0.213 316 L C 2.367 179.166 176.870 -0.118 0.000 1.072 316 L CA 2.207 57.048 54.840 0.002 0.000 0.755 316 L CB -0.759 41.289 42.059 -0.019 0.000 0.889 316 L HN 0.194 nan 8.230 nan 0.000 0.432 317 A N -0.889 121.798 122.820 -0.221 0.000 1.877 317 A HA -0.248 4.084 4.320 0.020 0.000 0.216 317 A C 2.183 179.817 177.584 0.083 0.000 1.186 317 A CA 1.950 53.925 52.037 -0.103 0.000 0.620 317 A CB -0.770 18.096 19.000 -0.222 0.000 0.822 317 A HN 0.638 nan 8.150 nan 0.000 0.443 318 E N -0.973 119.239 120.200 0.021 0.000 2.077 318 E HA -0.202 4.160 4.350 0.020 0.000 0.193 318 E C 2.316 178.951 176.600 0.057 0.000 0.989 318 E CA 1.085 57.520 56.400 0.058 0.000 0.800 318 E CB -0.174 29.538 29.700 0.019 0.000 0.746 318 E HN 0.569 nan 8.360 nan 0.000 0.452 319 R N 0.517 121.030 120.500 0.023 0.000 2.105 319 R HA -0.159 4.193 4.340 0.020 0.000 0.239 319 R C 2.178 178.456 176.300 -0.037 0.000 1.135 319 R CA 1.291 57.384 56.100 -0.013 0.000 0.967 319 R CB -0.128 30.152 30.300 -0.033 0.000 0.861 319 R HN 0.140 nan 8.270 nan 0.000 0.442 320 A N -0.319 122.494 122.820 -0.012 0.000 1.897 320 A HA -0.133 4.199 4.320 0.020 0.000 0.215 320 A C 1.560 179.038 177.584 -0.178 0.000 1.181 320 A CA 0.956 52.979 52.037 -0.024 0.000 0.620 320 A CB -0.539 18.467 19.000 0.010 0.000 0.821 320 A HN 0.452 nan 8.150 nan 0.000 0.443 321 Y N -0.370 119.921 120.300 -0.015 0.000 2.578 321 Y HA 0.073 4.637 4.550 0.023 0.000 0.297 321 Y C 2.095 177.879 175.900 -0.194 0.000 1.176 321 Y CA 0.942 58.987 58.100 -0.092 0.000 1.315 321 Y CB -0.094 38.393 38.460 0.045 0.000 1.031 321 Y HN 0.402 nan 8.280 nan 0.000 0.524 322 E N -0.007 120.142 120.200 -0.085 0.000 2.347 322 E HA -0.035 4.327 4.350 0.020 0.000 0.196 322 E C 0.570 177.046 176.600 -0.205 0.000 1.008 322 E CA 0.253 56.590 56.400 -0.104 0.000 0.852 322 E CB 0.099 29.763 29.700 -0.059 0.000 0.783 322 E HN 0.124 nan 8.360 nan 0.000 0.505 330 I N 0.329 120.988 120.570 0.149 0.000 2.957 330 I HA 0.951 5.133 4.170 0.020 0.000 0.310 330 I C 0.762 176.936 176.117 0.096 0.000 1.063 330 I CA -1.113 60.191 61.300 0.007 0.000 1.033 330 I CB 1.866 39.878 38.000 0.019 0.000 1.230 330 I HN 0.548 nan 8.210 nan 0.000 0.447 331 G N 1.163 109.986 108.800 0.037 0.000 2.611 331 G HA2 0.206 4.178 3.960 0.020 0.000 0.273 331 G HA3 0.206 4.178 3.960 0.020 0.000 0.273 331 G C 0.937 175.969 174.900 0.219 0.000 1.305 331 G CA 0.092 45.328 45.100 0.227 0.000 1.010 331 G HN 0.937 nan 8.290 nan 0.000 0.509 332 S N -1.401 114.443 115.700 0.240 0.000 2.423 332 S HA -0.031 4.451 4.470 0.020 0.000 0.231 332 S C 2.204 176.884 174.600 0.133 0.000 1.014 332 S CA 1.321 59.626 58.200 0.175 0.000 0.965 332 S CB -0.339 62.953 63.200 0.153 0.000 0.785 332 S HN 0.912 nan 8.310 nan 0.000 0.495 333 G N 0.390 109.302 108.800 0.188 0.000 2.848 333 G HA2 0.398 4.370 3.960 0.020 0.000 0.208 333 G HA3 0.398 4.370 3.960 0.020 0.000 0.208 333 G C 1.063 176.127 174.900 0.273 0.000 1.152 333 G CA 0.061 45.357 45.100 0.327 0.000 0.789 333 G HN 1.441 nan 8.290 nan 0.000 0.531 334 G N -1.746 107.128 108.800 0.123 0.000 2.141 334 G HA2 -0.263 3.709 3.960 0.020 0.000 0.242 334 G HA3 -0.263 3.709 3.960 0.020 0.000 0.242 334 G C -0.110 174.662 174.900 -0.215 0.000 0.982 334 G CA 0.149 45.207 45.100 -0.069 0.000 0.662 334 G HN 0.437 nan 8.290 nan 0.000 0.527 335 Y N 0.476 120.829 120.300 0.089 0.000 2.429 335 Y HA 0.699 5.261 4.550 0.020 0.000 0.342 335 Y C 0.705 176.582 175.900 -0.039 0.000 1.004 335 Y CA -0.314 57.817 58.100 0.052 0.000 1.075 335 Y CB 1.879 40.399 38.460 0.101 0.000 1.214 335 Y HN 0.444 nan 8.280 nan 0.000 0.455 336 A N 3.858 126.741 122.820 0.106 0.000 2.386 336 A HA 0.283 4.615 4.320 0.020 0.000 0.248 336 A C -1.791 175.772 177.584 -0.034 0.000 1.082 336 A CA -1.202 50.819 52.037 -0.025 0.000 0.789 336 A CB -0.073 18.931 19.000 0.008 0.000 1.025 336 A HN 0.674 nan 8.150 nan 0.000 0.490 337 P HA -0.152 nan 4.420 nan 0.000 0.226 337 P C 1.548 178.828 177.300 -0.034 0.000 1.146 337 P CA 1.740 64.789 63.100 -0.084 0.000 0.773 337 P CB 0.050 31.695 31.700 -0.092 0.000 0.772 338 S N -1.099 114.595 115.700 -0.010 0.000 2.402 338 S HA -0.183 4.299 4.470 0.020 0.000 0.229 338 S C 1.864 176.460 174.600 -0.007 0.000 1.021 338 S CA 1.134 59.335 58.200 0.002 0.000 0.974 338 S CB -1.166 62.046 63.200 0.020 0.000 0.800 338 S HN 0.050 nan 8.310 nan 0.000 0.484 339 M N 1.479 121.076 119.600 -0.005 0.000 2.374 339 M HA 0.206 4.698 4.480 0.020 0.000 0.264 339 M C 1.663 177.857 176.300 -0.176 0.000 1.067 339 M CA 1.259 56.504 55.300 -0.092 0.000 1.103 339 M CB -0.639 31.861 32.600 -0.167 0.000 1.402 339 M HN 0.343 nan 8.290 nan 0.000 0.444 340 L N -0.882 120.271 121.223 -0.118 0.000 2.056 340 L HA -0.009 4.343 4.340 0.020 0.000 0.207 340 L C 2.522 179.347 176.870 -0.074 0.000 1.078 340 L CA 1.148 55.926 54.840 -0.104 0.000 0.749 340 L CB -1.530 40.511 42.059 -0.031 0.000 0.901 340 L HN 0.515 nan 8.230 nan 0.000 0.433 341 G N -0.392 108.381 108.800 -0.045 0.000 2.442 341 G HA2 -0.237 3.735 3.960 0.020 0.000 0.219 341 G HA3 -0.237 3.735 3.960 0.020 0.000 0.219 341 G C 1.437 176.325 174.900 -0.020 0.000 1.141 341 G CA 0.562 45.651 45.100 -0.020 0.000 0.763 341 G HN 0.405 nan 8.290 nan 0.000 0.554 342 E N -0.508 119.669 120.200 -0.038 0.000 2.072 342 E HA -0.064 4.298 4.350 0.020 0.000 0.191 342 E C 2.383 178.955 176.600 -0.047 0.000 0.985 342 E CA 0.577 56.959 56.400 -0.030 0.000 0.801 342 E CB -0.156 29.531 29.700 -0.022 0.000 0.750 342 E HN 0.328 nan 8.360 nan 0.000 0.452 343 L N 1.058 122.227 121.223 -0.090 0.000 2.093 343 L HA -0.131 4.221 4.340 0.020 0.000 0.208 343 L C 2.156 178.996 176.870 -0.050 0.000 1.085 343 L CA 1.137 55.937 54.840 -0.067 0.000 0.755 343 L CB -0.409 41.568 42.059 -0.137 0.000 0.904 343 L HN 0.122 nan 8.230 nan 0.000 0.435 344 L N -1.039 120.145 121.223 -0.065 0.000 2.046 344 L HA -0.191 4.161 4.340 0.020 0.000 0.208 344 L C 2.328 179.164 176.870 -0.057 0.000 1.077 344 L CA 2.373 57.152 54.840 -0.102 0.000 0.747 344 L CB -1.094 40.936 42.059 -0.048 0.000 0.896 344 L HN 0.305 nan 8.230 nan 0.000 0.432 345 T N -0.071 114.500 114.554 0.029 0.000 2.684 345 T HA -0.200 4.162 4.350 0.020 0.000 0.267 345 T C 1.974 176.650 174.700 -0.039 0.000 1.036 345 T CA 1.905 64.044 62.100 0.066 0.000 1.148 345 T CB -0.388 68.496 68.868 0.027 0.000 0.863 345 T HN 0.307 nan 8.240 nan 0.000 0.436 346 L N 0.740 121.892 121.223 -0.118 0.000 2.079 346 L HA -0.140 4.212 4.340 0.020 0.000 0.210 346 L C 2.884 179.413 176.870 -0.567 0.000 1.081 346 L CA 1.286 55.968 54.840 -0.263 0.000 0.752 346 L CB -1.097 40.856 42.059 -0.176 0.000 0.896 346 L HN 0.325 nan 8.230 nan 0.000 0.433 347 T N -1.607 112.655 114.554 -0.487 0.000 2.777 347 T HA -0.179 4.183 4.350 0.020 0.000 0.266 347 T C 1.737 176.178 174.700 -0.431 0.000 1.040 347 T CA 1.196 62.946 62.100 -0.583 0.000 1.141 347 T CB -0.396 68.286 68.868 -0.310 0.000 0.868 347 T HN 0.250 nan 8.240 nan 0.000 0.444 348 Y N 1.485 121.640 120.300 -0.240 0.000 2.165 348 Y HA -0.115 4.447 4.550 0.020 0.000 0.286 348 Y C 2.851 178.596 175.900 -0.259 0.000 1.155 348 Y CA 0.759 58.739 58.100 -0.199 0.000 1.164 348 Y CB -0.380 37.998 38.460 -0.136 0.000 0.978 348 Y HN 0.208 nan 8.280 nan 0.000 0.513 349 A N 0.001 122.748 122.820 -0.122 0.000 1.930 349 A HA -0.147 4.185 4.320 0.020 0.000 0.217 349 A C 2.375 179.778 177.584 -0.301 0.000 1.175 349 A CA 1.603 53.534 52.037 -0.176 0.000 0.627 349 A CB -1.137 17.774 19.000 -0.149 0.000 0.815 349 A HN 0.429 nan 8.150 nan 0.000 0.443 350 A N -0.195 122.326 122.820 -0.499 0.000 1.902 350 A HA -0.166 4.166 4.320 0.020 0.000 0.217 350 A C 2.257 179.318 177.584 -0.870 0.000 1.181 350 A CA 1.718 53.352 52.037 -0.670 0.000 0.623 350 A CB -0.518 17.921 19.000 -0.936 0.000 0.818 350 A HN 0.553 nan 8.150 nan 0.000 0.443 351 R N -0.284 119.733 120.500 -0.804 0.000 2.096 351 R HA -0.108 4.244 4.340 0.020 0.000 0.235 351 R C 2.238 178.334 176.300 -0.339 0.000 1.127 351 R CA 1.751 57.474 56.100 -0.628 0.000 0.968 351 R CB -0.336 29.833 30.300 -0.219 0.000 0.861 351 R HN 0.454 nan 8.270 nan 0.000 0.440 352 S N 0.247 115.806 115.700 -0.234 0.000 2.382 352 S HA -0.095 4.387 4.470 0.020 0.000 0.228 352 S C 1.787 176.293 174.600 -0.156 0.000 1.027 352 S CA 1.182 59.291 58.200 -0.151 0.000 0.991 352 S CB -0.132 63.000 63.200 -0.113 0.000 0.823 352 S HN 0.411 nan 8.310 nan 0.000 0.469 353 R N 0.319 120.699 120.500 -0.200 0.000 2.073 353 R HA -0.041 4.311 4.340 0.020 0.000 0.234 353 R C 2.233 178.445 176.300 -0.147 0.000 1.134 353 R CA 1.312 57.319 56.100 -0.156 0.000 0.952 353 R CB -0.643 29.563 30.300 -0.158 0.000 0.850 353 R HN 0.257 nan 8.270 nan 0.000 0.433 354 V N 1.959 121.744 119.914 -0.215 0.000 2.295 354 V HA -0.286 3.846 4.120 0.020 0.000 0.246 354 V C 2.460 178.502 176.094 -0.087 0.000 1.049 354 V CA 2.254 64.467 62.300 -0.145 0.000 1.024 354 V CB -0.591 31.125 31.823 -0.178 0.000 0.648 354 V HN 0.441 nan 8.190 nan 0.000 0.447 355 R N 1.321 121.765 120.500 -0.095 0.000 2.148 355 R HA 0.049 4.401 4.340 0.020 0.000 0.223 355 R C 2.141 178.411 176.300 -0.050 0.000 1.088 355 R CA 1.374 57.442 56.100 -0.054 0.000 0.985 355 R CB -0.689 29.585 30.300 -0.042 0.000 0.880 355 R HN 0.366 nan 8.270 nan 0.000 0.451 356 A N 1.618 124.401 122.820 -0.063 0.000 2.015 356 A HA 0.058 4.390 4.320 0.020 0.000 0.219 356 A C 2.442 179.999 177.584 -0.044 0.000 1.163 356 A CA 1.290 53.296 52.037 -0.052 0.000 0.646 356 A CB -0.578 18.388 19.000 -0.056 0.000 0.806 356 A HN 0.523 nan 8.150 nan 0.000 0.448 357 A N -0.880 121.911 122.820 -0.048 0.000 2.067 357 A HA 0.277 4.609 4.320 0.020 0.000 0.219 357 A C 1.177 178.740 177.584 -0.035 0.000 1.158 357 A CA 0.559 52.571 52.037 -0.042 0.000 0.661 357 A CB -0.336 18.636 19.000 -0.046 0.000 0.801 357 A HN 0.458 nan 8.150 nan 0.000 0.452 358 L N 0.000 121.205 121.223 -0.030 0.000 2.949 358 L HA 0.000 4.352 4.340 0.020 0.000 0.249 358 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 358 L CB 0.000 42.051 42.059 -0.014 0.000 0.961 358 L HN 0.000 nan 8.230 nan 0.000 0.502