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 2x68_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 0.000 174.654 174.700 -0.077 0.000 1.109 4 T CA 0.000 62.070 62.100 -0.049 0.000 1.349 4 T CB 0.000 68.823 68.868 -0.075 0.000 0.612 5 L N 3.297 124.451 121.223 -0.116 0.000 2.865 5 L HA 0.357 4.708 4.340 0.019 0.000 0.233 5 L C 0.697 177.631 176.870 0.106 0.000 1.320 5 L CA -0.301 54.428 54.840 -0.184 0.000 1.225 5 L CB -0.011 41.812 42.059 -0.393 0.000 1.542 5 L HN 0.112 nan 8.230 nan 0.000 0.432 6 D N 0.909 121.394 120.400 0.141 0.000 2.158 6 D HA -0.188 4.463 4.640 0.019 0.000 0.197 6 D C 2.031 178.433 176.300 0.171 0.000 0.995 6 D CA 1.402 55.479 54.000 0.128 0.000 0.846 6 D CB 0.185 41.041 40.800 0.093 0.000 0.941 6 D HN 0.357 nan 8.370 nan 0.000 0.456 7 R N 0.066 120.733 120.500 0.278 0.000 2.237 7 R HA -0.022 4.330 4.340 0.019 0.000 0.219 7 R C 2.233 178.711 176.300 0.295 0.000 1.080 7 R CA 0.068 56.295 56.100 0.211 0.000 0.995 7 R CB -0.049 30.301 30.300 0.083 0.000 0.875 7 R HN 0.081 nan 8.270 nan 0.000 0.462 8 V N 0.229 120.351 119.914 0.347 0.000 2.407 8 V HA -0.191 3.940 4.120 0.019 0.000 0.248 8 V C 2.370 178.602 176.094 0.229 0.000 1.055 8 V CA 2.171 64.665 62.300 0.323 0.000 1.049 8 V CB -0.733 31.230 31.823 0.234 0.000 0.662 8 V HN 0.533 nan 8.190 nan 0.000 0.455 9 G N -0.731 108.145 108.800 0.126 0.000 2.440 9 G HA2 -0.257 3.715 3.960 0.019 0.000 0.218 9 G HA3 -0.257 3.715 3.960 0.019 0.000 0.218 9 G C 1.805 176.699 174.900 -0.011 0.000 1.154 9 G CA 1.206 46.339 45.100 0.055 0.000 0.767 9 G HN 0.397 nan 8.290 nan 0.000 0.552 10 V N 0.029 119.884 119.914 -0.098 0.000 2.343 10 V HA -0.089 4.042 4.120 0.019 0.000 0.247 10 V C 2.572 178.474 176.094 -0.321 0.000 1.051 10 V CA 1.945 64.095 62.300 -0.251 0.000 1.036 10 V CB -0.492 31.101 31.823 -0.384 0.000 0.654 10 V HN 0.317 nan 8.190 nan 0.000 0.451 11 F N 1.179 121.074 119.950 -0.091 0.000 2.102 11 F HA -0.057 4.481 4.527 0.019 0.000 0.298 11 F C 2.558 178.132 175.800 -0.377 0.000 1.105 11 F CA 1.690 59.569 58.000 -0.202 0.000 1.239 11 F CB -1.349 37.604 39.000 -0.079 0.000 0.991 11 F HN 0.234 nan 8.300 nan 0.000 0.474 12 A N 0.024 122.876 122.820 0.054 0.000 1.933 12 A HA -0.071 4.260 4.320 0.019 0.000 0.218 12 A C 2.401 180.004 177.584 0.031 0.000 1.175 12 A CA 1.778 53.872 52.037 0.095 0.000 0.628 12 A CB -1.278 17.802 19.000 0.133 0.000 0.814 12 A HN 0.317 nan 8.150 nan 0.000 0.444 13 A N -0.266 122.539 122.820 -0.024 0.000 1.930 13 A HA -0.067 4.265 4.320 0.019 0.000 0.217 13 A C 2.429 179.992 177.584 -0.035 0.000 1.175 13 A CA 2.365 54.387 52.037 -0.024 0.000 0.627 13 A CB -1.331 17.640 19.000 -0.049 0.000 0.815 13 A HN 0.773 nan 8.150 nan 0.000 0.443 14 T N -2.670 111.822 114.554 -0.104 0.000 2.788 14 T HA -0.208 4.154 4.350 0.019 0.000 0.268 14 T C 1.769 176.518 174.700 0.082 0.000 1.044 14 T CA 1.587 63.648 62.100 -0.065 0.000 1.139 14 T CB -0.694 68.115 68.868 -0.097 0.000 0.867 14 T HN 0.583 nan 8.240 nan 0.000 0.454 15 H N 1.930 121.149 119.070 0.248 0.000 2.357 15 H HA 0.308 4.876 4.556 0.020 0.000 0.301 15 H C 2.820 178.282 175.328 0.224 0.000 1.082 15 H CA 1.200 57.476 56.048 0.380 0.000 1.342 15 H CB -1.101 28.874 29.762 0.355 0.000 1.389 15 H HN 0.577 nan 8.280 nan 0.000 0.511 16 A N 1.345 124.313 122.820 0.247 0.000 1.978 16 A HA -0.108 4.224 4.320 0.019 0.000 0.220 16 A C 2.687 180.309 177.584 0.065 0.000 1.170 16 A CA 1.708 53.827 52.037 0.137 0.000 0.636 16 A CB -0.790 18.261 19.000 0.086 0.000 0.810 16 A HN 0.449 nan 8.150 nan 0.000 0.448 17 A N -0.547 122.293 122.820 0.033 0.000 1.933 17 A HA 0.006 4.337 4.320 0.019 0.000 0.218 17 A C 2.202 179.740 177.584 -0.076 0.000 1.175 17 A CA 1.835 53.856 52.037 -0.027 0.000 0.628 17 A CB -0.787 18.190 19.000 -0.039 0.000 0.814 17 A HN 0.421 nan 8.150 nan 0.000 0.444 18 V N -0.294 119.549 119.914 -0.118 0.000 2.379 18 V HA -0.157 3.974 4.120 0.019 0.000 0.245 18 V C 3.006 179.047 176.094 -0.087 0.000 1.044 18 V CA 1.641 63.794 62.300 -0.245 0.000 1.036 18 V CB -1.303 30.128 31.823 -0.655 0.000 0.664 18 V HN 0.579 nan 8.190 nan 0.000 0.453 19 A N 0.275 123.119 122.820 0.040 0.000 1.978 19 A HA -0.105 4.226 4.320 0.019 0.000 0.220 19 A C 2.275 179.865 177.584 0.010 0.000 1.170 19 A CA 2.024 54.102 52.037 0.068 0.000 0.636 19 A CB -0.606 18.463 19.000 0.116 0.000 0.810 19 A HN 0.598 nan 8.150 nan 0.000 0.448 20 A N -1.046 121.767 122.820 -0.011 0.000 2.169 20 A HA 0.301 4.633 4.320 0.019 0.000 0.212 20 A C 1.402 178.951 177.584 -0.058 0.000 1.153 20 A CA 0.841 52.861 52.037 -0.028 0.000 0.756 20 A CB -0.364 18.621 19.000 -0.024 0.000 0.813 20 A HN 0.434 nan 8.150 nan 0.000 0.471 21 S N 0.294 115.942 115.700 -0.088 0.000 2.513 21 S HA 0.398 4.880 4.470 0.019 0.000 0.276 21 S C -0.898 173.624 174.600 -0.130 0.000 1.254 21 S CA -0.465 57.656 58.200 -0.131 0.000 1.053 21 S CB 0.798 63.877 63.200 -0.202 0.000 0.958 21 S HN 0.267 nan 8.310 nan 0.000 0.491 22 D N 4.598 124.924 120.400 -0.123 0.000 2.656 22 D HA 0.364 5.016 4.640 0.019 0.000 0.303 22 D C -1.596 174.643 176.300 -0.101 0.000 1.199 22 D CA -1.693 52.239 54.000 -0.114 0.000 0.797 22 D CB 1.103 41.849 40.800 -0.089 0.000 1.170 22 D HN 0.325 nan 8.370 nan 0.000 0.509 23 P HA -0.028 nan 4.420 nan 0.000 0.221 23 P C 1.246 178.623 177.300 0.128 0.000 1.150 23 P CA 0.405 63.447 63.100 -0.098 0.000 0.800 23 P CB 0.587 31.958 31.700 -0.549 0.000 0.787 24 L N -0.991 120.291 121.223 0.097 0.000 2.611 24 L HA 0.169 4.521 4.340 0.019 0.000 0.229 24 L C 0.390 177.294 176.870 0.057 0.000 1.137 24 L CA 0.012 54.960 54.840 0.179 0.000 0.901 24 L CB -0.851 41.380 42.059 0.287 0.000 1.098 24 L HN -0.068 nan 8.230 nan 0.000 0.456 25 Q N -0.201 119.596 119.800 -0.006 0.000 2.439 25 Q HA -0.263 4.088 4.340 0.019 0.000 0.325 25 Q C 0.894 176.824 176.000 -0.117 0.000 1.372 25 Q CA 0.467 56.245 55.803 -0.040 0.000 0.909 25 Q CB -1.080 27.661 28.738 0.006 0.000 1.167 25 Q HN 0.589 nan 8.270 nan 0.000 0.418 26 A N -0.224 122.453 122.820 -0.238 0.000 2.343 26 A HA 0.104 4.436 4.320 0.019 0.000 0.223 26 A C 1.628 179.015 177.584 -0.328 0.000 1.214 26 A CA 0.480 52.230 52.037 -0.477 0.000 0.900 26 A CB 0.089 18.430 19.000 -1.099 0.000 0.942 26 A HN 0.437 nan 8.150 nan 0.000 0.507 27 R N 0.515 120.896 120.500 -0.199 0.000 2.136 27 R HA -0.243 4.108 4.340 0.019 0.000 0.242 27 R C 2.082 178.312 176.300 -0.117 0.000 1.131 27 R CA 2.169 58.183 56.100 -0.144 0.000 0.937 27 R CB -0.419 29.820 30.300 -0.101 0.000 0.863 27 R HN 0.401 nan 8.270 nan 0.000 0.435 28 A N 0.530 123.299 122.820 -0.086 0.000 2.019 28 A HA -0.072 4.260 4.320 0.019 0.000 0.219 28 A C 2.195 179.759 177.584 -0.034 0.000 1.164 28 A CA 1.124 53.130 52.037 -0.053 0.000 0.644 28 A CB -0.330 18.651 19.000 -0.033 0.000 0.805 28 A HN 0.391 nan 8.150 nan 0.000 0.449 29 L N -0.832 120.363 121.223 -0.046 0.000 2.068 29 L HA -0.095 4.256 4.340 0.019 0.000 0.204 29 L C 2.422 179.346 176.870 0.091 0.000 1.076 29 L CA 0.873 55.733 54.840 0.035 0.000 0.753 29 L CB -0.509 41.576 42.059 0.043 0.000 0.910 29 L HN 0.224 nan 8.230 nan 0.000 0.439 30 V N 0.186 120.099 119.914 -0.001 0.000 2.515 30 V HA -0.248 3.883 4.120 0.019 0.000 0.250 30 V C 2.393 178.432 176.094 -0.091 0.000 1.058 30 V CA 1.233 63.549 62.300 0.028 0.000 1.064 30 V CB -0.487 31.299 31.823 -0.063 0.000 0.675 30 V HN 0.369 nan 8.190 nan 0.000 0.461 31 L N -0.204 120.962 121.223 -0.095 0.000 2.261 31 L HA -0.247 4.104 4.340 0.019 0.000 0.216 31 L C 2.503 179.333 176.870 -0.067 0.000 1.114 31 L CA 1.518 56.297 54.840 -0.102 0.000 0.777 31 L CB -0.545 41.466 42.059 -0.079 0.000 0.910 31 L HN 0.448 nan 8.230 nan 0.000 0.440 32 Q N -0.807 118.985 119.800 -0.015 0.000 2.432 32 Q HA -0.108 4.243 4.340 0.019 0.000 0.205 32 Q C 2.050 178.053 176.000 0.005 0.000 0.945 32 Q CA 0.261 56.071 55.803 0.012 0.000 0.924 32 Q CB 0.097 28.869 28.738 0.058 0.000 1.016 32 Q HN 0.329 nan 8.270 nan 0.000 0.503 33 L N 1.661 122.856 121.223 -0.046 0.000 2.017 33 L HA -0.082 4.269 4.340 0.019 0.000 0.208 33 L C -0.978 175.844 176.870 -0.080 0.000 1.073 33 L CA 1.943 56.713 54.840 -0.117 0.000 0.745 33 L CB -1.010 40.821 42.059 -0.379 0.000 0.894 33 L HN 0.020 nan 8.230 nan 0.000 0.432 34 P HA -0.129 nan 4.420 nan 0.000 0.216 34 P C 1.646 178.942 177.300 -0.008 0.000 1.153 34 P CA 1.885 64.944 63.100 -0.069 0.000 0.858 34 P CB -0.417 31.226 31.700 -0.096 0.000 0.789 35 G N -0.260 108.536 108.800 -0.006 0.000 2.440 35 G HA2 -0.235 3.737 3.960 0.019 0.000 0.218 35 G HA3 -0.235 3.737 3.960 0.019 0.000 0.218 35 G C 1.477 176.397 174.900 0.033 0.000 1.154 35 G CA 0.619 45.727 45.100 0.014 0.000 0.767 35 G HN 0.229 nan 8.290 nan 0.000 0.552 36 L N 0.336 121.583 121.223 0.040 0.000 2.093 36 L HA -0.058 4.293 4.340 0.019 0.000 0.208 36 L C 2.723 179.639 176.870 0.076 0.000 1.085 36 L CA 0.729 55.600 54.840 0.051 0.000 0.755 36 L CB -0.432 41.669 42.059 0.071 0.000 0.904 36 L HN 0.131 nan 8.230 nan 0.000 0.435 37 N N 0.347 119.134 118.700 0.145 0.000 2.142 37 N HA -0.189 4.562 4.740 0.019 0.000 0.186 37 N C 1.928 177.589 175.510 0.250 0.000 1.023 37 N CA 1.119 54.360 53.050 0.318 0.000 0.852 37 N CB -0.225 38.501 38.487 0.399 0.000 0.998 37 N HN 0.251 nan 8.380 nan 0.000 0.424 38 R N 0.940 121.527 120.500 0.146 0.000 2.105 38 R HA -0.002 4.350 4.340 0.019 0.000 0.239 38 R C 0.849 177.191 176.300 0.070 0.000 1.135 38 R CA 1.279 57.441 56.100 0.103 0.000 0.967 38 R CB 0.023 30.358 30.300 0.060 0.000 0.861 38 R HN 0.195 nan 8.270 nan 0.000 0.442 39 N N 0.846 119.572 118.700 0.043 0.000 2.398 39 N HA -0.023 4.729 4.740 0.019 0.000 0.188 39 N C -0.403 175.089 175.510 -0.030 0.000 1.122 39 N CA 0.450 53.506 53.050 0.011 0.000 0.866 39 N CB 0.393 38.883 38.487 0.005 0.000 0.970 39 N HN 0.169 nan 8.380 nan 0.000 0.462 40 K N 0.623 120.985 120.400 -0.062 0.000 3.035 40 K HA -0.183 4.148 4.320 0.019 0.000 0.262 40 K C -0.670 175.758 176.600 -0.288 0.000 1.024 40 K CA 0.468 56.590 56.287 -0.276 0.000 0.748 40 K CB -1.157 31.277 32.500 -0.110 0.000 1.247 40 K HN 0.150 nan 8.250 nan 0.000 0.482 41 D N 0.907 121.193 120.400 -0.190 0.000 2.517 41 D HA 0.149 4.800 4.640 0.019 0.000 0.220 41 D C 1.023 177.264 176.300 -0.099 0.000 1.158 41 D CA -0.227 53.711 54.000 -0.104 0.000 0.992 41 D CB 0.635 41.415 40.800 -0.034 0.000 1.058 41 D HN -0.021 nan 8.370 nan 0.000 0.516 42 V N 4.630 124.469 119.914 -0.125 0.000 2.295 42 V HA -0.132 3.999 4.120 0.019 0.000 0.246 42 V C -0.631 175.441 176.094 -0.037 0.000 1.049 42 V CA 1.392 63.647 62.300 -0.076 0.000 1.024 42 V CB -1.137 30.633 31.823 -0.089 0.000 0.648 42 V HN 0.454 nan 8.190 nan 0.000 0.447 43 P HA -0.130 nan 4.420 nan 0.000 0.215 43 P C 1.732 179.037 177.300 0.007 0.000 1.153 43 P CA 1.894 64.978 63.100 -0.027 0.000 0.853 43 P CB -0.337 31.347 31.700 -0.028 0.000 0.788 44 G N -0.387 108.424 108.800 0.018 0.000 2.418 44 G HA2 -0.240 3.732 3.960 0.019 0.000 0.217 44 G HA3 -0.240 3.732 3.960 0.019 0.000 0.217 44 G C 1.528 176.493 174.900 0.108 0.000 1.158 44 G CA 0.580 45.710 45.100 0.050 0.000 0.771 44 G HN 0.231 nan 8.290 nan 0.000 0.545 45 I N 0.302 120.950 120.570 0.130 0.000 2.179 45 I HA -0.177 4.004 4.170 0.019 0.000 0.242 45 I C 2.800 179.080 176.117 0.273 0.000 1.088 45 I CA 0.608 62.066 61.300 0.263 0.000 1.357 45 I CB -0.300 37.852 38.000 0.254 0.000 1.051 45 I HN 0.034 nan 8.210 nan 0.000 0.409 46 V N 0.993 120.986 119.914 0.132 0.000 2.295 46 V HA -0.244 3.887 4.120 0.019 0.000 0.246 46 V C 2.587 178.675 176.094 -0.009 0.000 1.049 46 V CA 2.284 64.612 62.300 0.046 0.000 1.024 46 V CB -1.485 30.339 31.823 0.002 0.000 0.648 46 V HN 0.592 nan 8.190 nan 0.000 0.447 47 G N -0.425 108.384 108.800 0.015 0.000 2.422 47 G HA2 -0.246 3.726 3.960 0.019 0.000 0.218 47 G HA3 -0.246 3.726 3.960 0.019 0.000 0.218 47 G C 1.577 176.478 174.900 0.002 0.000 1.146 47 G CA 1.114 46.212 45.100 -0.002 0.000 0.769 47 G HN 0.430 nan 8.290 nan 0.000 0.547 48 L N 0.131 121.399 121.223 0.075 0.000 2.027 48 L HA 0.087 4.438 4.340 0.019 0.000 0.206 48 L C 2.537 179.353 176.870 -0.090 0.000 1.074 48 L CA 1.472 56.394 54.840 0.136 0.000 0.745 48 L CB -0.624 41.653 42.059 0.363 0.000 0.898 48 L HN 0.186 nan 8.230 nan 0.000 0.433 49 L N -0.021 120.947 121.223 -0.425 0.000 2.013 49 L HA -0.237 4.114 4.340 0.019 0.000 0.212 49 L C 2.601 178.989 176.870 -0.802 0.000 1.073 49 L CA 1.869 56.071 54.840 -1.064 0.000 0.753 49 L CB -0.662 40.873 42.059 -0.873 0.000 0.890 49 L HN 0.260 nan 8.230 nan 0.000 0.432 50 R N -0.498 119.766 120.500 -0.394 0.000 2.285 50 R HA -0.079 4.272 4.340 0.019 0.000 0.213 50 R C 1.995 178.181 176.300 -0.190 0.000 1.068 50 R CA 0.876 56.811 56.100 -0.275 0.000 1.004 50 R CB -0.206 30.000 30.300 -0.156 0.000 0.873 50 R HN 0.551 nan 8.270 nan 0.000 0.467 51 E N -0.177 119.947 120.200 -0.125 0.000 2.204 51 E HA -0.177 4.184 4.350 0.019 0.000 0.195 51 E C 0.848 177.506 176.600 0.096 0.000 0.990 51 E CA 1.221 57.632 56.400 0.018 0.000 0.821 51 E CB 0.122 29.887 29.700 0.108 0.000 0.750 51 E HN 0.497 nan 8.360 nan 0.000 0.477 52 F N -1.662 118.241 119.950 -0.078 0.000 2.871 52 F HA 0.284 4.821 4.527 0.016 0.000 0.344 52 F C 0.186 175.960 175.800 -0.043 0.000 1.078 52 F CA -0.865 57.107 58.000 -0.047 0.000 1.149 52 F CB 0.055 39.036 39.000 -0.031 0.000 1.087 52 F HN -0.230 nan 8.300 nan 0.000 0.557 53 L N 5.434 126.351 121.223 -0.511 0.000 2.534 53 L HA 0.394 4.745 4.340 0.019 0.000 0.271 53 L C -2.273 174.522 176.870 -0.125 0.000 1.178 53 L CA -1.982 52.645 54.840 -0.354 0.000 0.907 53 L CB -0.140 41.669 42.059 -0.417 0.000 1.164 53 L HN -0.070 nan 8.230 nan 0.000 0.482 54 P HA 0.057 nan 4.420 nan 0.000 0.271 54 P C 0.332 177.590 177.300 -0.071 0.000 1.216 54 P CA -0.141 62.931 63.100 -0.046 0.000 0.776 54 P CB 0.937 32.604 31.700 -0.055 0.000 0.881 55 V N 0.444 120.316 119.914 -0.069 0.000 3.635 55 V HA 0.282 4.413 4.120 0.019 0.000 0.266 55 V C 1.197 177.252 176.094 -0.065 0.000 1.316 55 V CA 0.438 62.698 62.300 -0.065 0.000 1.060 55 V CB -0.557 31.231 31.823 -0.058 0.000 0.820 55 V HN 0.324 nan 8.190 nan 0.000 0.447 56 R N 1.620 122.075 120.500 -0.076 0.000 2.586 56 R HA 0.585 4.936 4.340 0.019 0.000 0.336 56 R C 0.840 177.079 176.300 -0.100 0.000 1.060 56 R CA 0.459 56.513 56.100 -0.078 0.000 1.079 56 R CB 0.767 31.022 30.300 -0.074 0.000 1.317 56 R HN 0.689 nan 8.270 nan 0.000 0.568 57 G N 1.051 109.786 108.800 -0.108 0.000 2.756 57 G HA2 -0.231 3.741 3.960 0.019 0.000 0.678 57 G HA3 -0.231 3.741 3.960 0.019 0.000 0.678 57 G C -0.556 174.209 174.900 -0.224 0.000 1.349 57 G CA -1.077 43.943 45.100 -0.132 0.000 0.847 57 G HN 0.096 nan 8.290 nan 0.000 0.548 58 L N 0.940 122.001 121.223 -0.271 0.000 2.380 58 L HA 0.382 4.733 4.340 0.019 0.000 0.273 58 L C -1.545 174.968 176.870 -0.596 0.000 1.138 58 L CA -1.603 52.915 54.840 -0.537 0.000 0.832 58 L CB 0.463 42.297 42.059 -0.376 0.000 1.124 58 L HN 0.357 nan 8.230 nan 0.000 0.454 59 P HA -0.006 nan 4.420 nan 0.000 0.262 59 P C 0.500 177.526 177.300 -0.455 0.000 1.182 59 P CA 0.010 62.701 63.100 -0.682 0.000 0.761 59 P CB 0.683 31.862 31.700 -0.867 0.000 0.795 60 S N 1.314 116.885 115.700 -0.215 0.000 2.515 60 S HA -0.041 4.440 4.470 0.019 0.000 0.231 60 S C 1.916 176.507 174.600 -0.013 0.000 0.987 60 S CA 0.717 58.859 58.200 -0.096 0.000 0.936 60 S CB -0.743 62.417 63.200 -0.065 0.000 0.766 60 S HN 0.565 nan 8.310 nan 0.000 0.528 61 G N 0.118 108.925 108.800 0.011 0.000 2.712 61 G HA2 0.067 4.038 3.960 0.019 0.000 0.212 61 G HA3 0.067 4.038 3.960 0.019 0.000 0.212 61 G C -0.028 175.015 174.900 0.238 0.000 1.142 61 G CA -0.540 44.623 45.100 0.105 0.000 0.789 61 G HN 0.384 nan 8.290 nan 0.000 0.535 62 W N 1.014 122.307 121.300 -0.011 0.000 2.193 62 W HA 0.518 5.189 4.660 0.018 0.000 0.338 62 W C 0.833 177.346 176.519 -0.010 0.000 1.310 62 W CA -0.582 56.753 57.345 -0.017 0.000 1.243 62 W CB 0.500 29.945 29.460 -0.025 0.000 1.165 62 W HN 0.090 nan 8.180 nan 0.000 0.566 63 G N 1.517 110.412 108.800 0.159 0.000 2.938 63 G HA2 0.311 4.282 3.960 0.019 0.000 0.258 63 G HA3 0.311 4.282 3.960 0.019 0.000 0.258 63 G C 0.007 174.945 174.900 0.062 0.000 1.356 63 G CA -0.666 44.498 45.100 0.107 0.000 1.052 63 G HN 0.420 nan 8.290 nan 0.000 0.550 64 F N -0.235 119.680 119.950 -0.059 0.000 2.120 64 F HA -0.153 4.386 4.527 0.019 0.000 0.300 64 F C 2.524 178.194 175.800 -0.216 0.000 1.095 64 F CA 2.034 59.969 58.000 -0.108 0.000 1.249 64 F CB -0.090 38.842 39.000 -0.112 0.000 0.995 64 F HN 0.036 nan 8.300 nan 0.000 0.480 65 V N 0.423 120.251 119.914 -0.144 0.000 2.261 65 V HA -0.291 3.840 4.120 0.019 0.000 0.246 65 V C 2.241 178.047 176.094 -0.480 0.000 1.047 65 V CA 2.337 64.449 62.300 -0.313 0.000 1.015 65 V CB -0.677 31.048 31.823 -0.162 0.000 0.642 65 V HN 0.264 nan 8.190 nan 0.000 0.446 66 E N 0.602 120.507 120.200 -0.492 0.000 2.077 66 E HA -0.133 4.228 4.350 0.019 0.000 0.193 66 E C 2.214 178.254 176.600 -0.934 0.000 0.989 66 E CA 1.494 57.386 56.400 -0.846 0.000 0.800 66 E CB -0.623 28.315 29.700 -1.270 0.000 0.746 66 E HN 0.578 nan 8.360 nan 0.000 0.452 67 A N 0.912 123.390 122.820 -0.570 0.000 1.898 67 A HA -0.011 4.321 4.320 0.019 0.000 0.216 67 A C 2.352 179.742 177.584 -0.323 0.000 1.181 67 A CA 1.664 53.529 52.037 -0.287 0.000 0.620 67 A CB -0.788 18.195 19.000 -0.029 0.000 0.819 67 A HN 0.278 nan 8.150 nan 0.000 0.442 68 A N 0.017 122.493 122.820 -0.574 0.000 1.902 68 A HA 0.147 4.479 4.320 0.019 0.000 0.217 68 A C 2.509 179.967 177.584 -0.211 0.000 1.181 68 A CA 2.117 53.846 52.037 -0.514 0.000 0.623 68 A CB -1.038 17.186 19.000 -1.294 0.000 0.818 68 A HN 1.037 nan 8.150 nan 0.000 0.443 69 A N -0.125 122.496 122.820 -0.332 0.000 1.902 69 A HA 0.141 4.472 4.320 0.019 0.000 0.217 69 A C 2.520 180.055 177.584 -0.081 0.000 1.181 69 A CA 2.190 54.119 52.037 -0.179 0.000 0.623 69 A CB -1.061 17.780 19.000 -0.265 0.000 0.818 69 A HN 1.078 nan 8.150 nan 0.000 0.443 70 A N -0.948 121.766 122.820 -0.177 0.000 1.877 70 A HA -0.156 4.176 4.320 0.019 0.000 0.216 70 A C 2.186 179.844 177.584 0.124 0.000 1.186 70 A CA 2.353 54.387 52.037 -0.004 0.000 0.620 70 A CB -0.527 18.477 19.000 0.006 0.000 0.822 70 A HN 0.581 nan 8.150 nan 0.000 0.443 71 M N 0.027 119.679 119.600 0.088 0.000 2.149 71 M HA -0.148 4.343 4.480 0.019 0.000 0.261 71 M C 2.075 178.438 176.300 0.105 0.000 1.064 71 M CA 2.051 57.395 55.300 0.072 0.000 1.102 71 M CB -0.521 32.081 32.600 0.003 0.000 1.369 71 M HN 0.503 nan 8.290 nan 0.000 0.408 72 R N -0.297 120.359 120.500 0.260 0.000 2.073 72 R HA -0.180 4.172 4.340 0.019 0.000 0.234 72 R C 1.414 177.932 176.300 0.364 0.000 1.134 72 R CA 2.197 58.494 56.100 0.328 0.000 0.952 72 R CB -0.586 29.947 30.300 0.389 0.000 0.850 72 R HN 0.365 nan 8.270 nan 0.000 0.433 73 D N 0.420 121.010 120.400 0.317 0.000 2.123 73 D HA -0.086 4.565 4.640 0.019 0.000 0.200 73 D C 2.022 178.714 176.300 0.653 0.000 0.976 73 D CA 1.160 55.388 54.000 0.379 0.000 0.831 73 D CB -0.124 40.748 40.800 0.121 0.000 0.974 73 D HN 0.337 nan 8.370 nan 0.000 0.469 74 I N 1.010 121.902 120.570 0.537 0.000 2.315 74 I HA -0.128 4.053 4.170 0.019 0.000 0.248 74 I C 2.518 178.895 176.117 0.434 0.000 1.117 74 I CA 1.090 62.642 61.300 0.420 0.000 1.404 74 I CB -0.418 37.694 38.000 0.187 0.000 1.071 74 I HN 0.000 nan 8.210 nan 0.000 0.419 75 G N 0.863 109.838 108.800 0.292 0.000 2.469 75 G HA2 -0.270 3.701 3.960 0.019 0.000 0.219 75 G HA3 -0.270 3.701 3.960 0.019 0.000 0.219 75 G C 1.510 176.498 174.900 0.147 0.000 1.150 75 G CA 0.642 45.822 45.100 0.134 0.000 0.763 75 G HN 0.269 nan 8.290 nan 0.000 0.561 76 F N -0.007 120.023 119.950 0.133 0.000 2.269 76 F HA 0.085 4.623 4.527 0.018 0.000 0.301 76 F C 2.184 178.018 175.800 0.056 0.000 1.082 76 F CA 0.717 58.637 58.000 -0.133 0.000 1.360 76 F CB -0.270 38.464 39.000 -0.443 0.000 1.041 76 F HN 0.101 nan 8.300 nan 0.000 0.512 77 F N -0.498 119.647 119.950 0.324 0.000 2.407 77 F HA -0.098 4.444 4.527 0.024 0.000 0.299 77 F C 1.969 177.919 175.800 0.249 0.000 1.097 77 F CA 0.590 58.757 58.000 0.278 0.000 1.422 77 F CB -0.577 38.542 39.000 0.199 0.000 1.067 77 F HN -0.109 nan 8.300 nan 0.000 0.539 78 L N -0.604 120.848 121.223 0.381 0.000 1.988 78 L HA -0.063 4.288 4.340 0.019 0.000 0.207 78 L C 2.838 179.858 176.870 0.250 0.000 1.071 78 L CA 1.469 56.468 54.840 0.264 0.000 0.744 78 L CB -1.590 40.584 42.059 0.191 0.000 0.893 78 L HN 0.187 nan 8.230 nan 0.000 0.433 79 G N -0.546 108.446 108.800 0.320 0.000 2.442 79 G HA2 -0.229 3.742 3.960 0.019 0.000 0.219 79 G HA3 -0.229 3.742 3.960 0.019 0.000 0.219 79 G C 1.729 176.755 174.900 0.210 0.000 1.141 79 G CA 1.003 46.231 45.100 0.213 0.000 0.763 79 G HN 0.342 nan 8.290 nan 0.000 0.554 80 S N 0.475 116.437 115.700 0.436 0.000 2.348 80 S HA -0.029 4.453 4.470 0.019 0.000 0.221 80 S C 2.299 177.024 174.600 0.209 0.000 1.033 80 S CA 0.927 59.381 58.200 0.423 0.000 1.010 80 S CB -0.313 63.147 63.200 0.433 0.000 0.891 80 S HN 0.305 nan 8.310 nan 0.000 0.442 81 L N 1.031 122.417 121.223 0.272 0.000 2.046 81 L HA -0.133 4.218 4.340 0.019 0.000 0.208 81 L C 2.523 179.495 176.870 0.170 0.000 1.077 81 L CA 1.234 56.241 54.840 0.279 0.000 0.747 81 L CB -0.370 41.843 42.059 0.256 0.000 0.896 81 L HN 0.201 nan 8.230 nan 0.000 0.432 82 K N 0.269 120.713 120.400 0.072 0.000 2.097 82 K HA -0.179 4.152 4.320 0.019 0.000 0.205 82 K C 2.263 178.759 176.600 -0.174 0.000 1.050 82 K CA 1.145 57.421 56.287 -0.019 0.000 0.938 82 K CB -0.245 32.248 32.500 -0.011 0.000 0.718 82 K HN -0.039 nan 8.250 nan 0.000 0.442 83 R N 0.309 120.606 120.500 -0.338 0.000 2.117 83 R HA -0.152 4.199 4.340 0.019 0.000 0.243 83 R C 0.948 176.884 176.300 -0.606 0.000 1.143 83 R CA 1.719 57.409 56.100 -0.683 0.000 0.968 83 R CB -0.500 28.999 30.300 -1.335 0.000 0.863 83 R HN 0.490 nan 8.270 nan 0.000 0.444 84 H N -1.270 117.705 119.070 -0.158 0.000 2.536 84 H HA 0.170 4.734 4.556 0.012 0.000 0.276 84 H C 0.881 176.098 175.328 -0.185 0.000 1.019 84 H CA 0.823 56.819 56.048 -0.087 0.000 1.159 84 H CB 0.297 30.100 29.762 0.068 0.000 1.373 84 H HN 0.536 nan 8.280 nan 0.000 0.584 85 G N 1.120 109.804 108.800 -0.193 0.000 2.131 85 G HA2 -0.187 3.784 3.960 0.019 0.000 0.201 85 G HA3 -0.187 3.784 3.960 0.019 0.000 0.201 85 G C -0.381 174.215 174.900 -0.506 0.000 1.000 85 G CA -0.468 44.425 45.100 -0.345 0.000 0.680 85 G HN 0.495 nan 8.290 nan 0.000 0.514 86 H N 0.347 119.429 119.070 0.021 0.000 2.589 86 H HA 0.352 4.917 4.556 0.016 0.000 0.351 86 H C -0.438 174.912 175.328 0.037 0.000 1.074 86 H CA -0.779 55.291 56.048 0.035 0.000 1.203 86 H CB 1.506 31.303 29.762 0.058 0.000 1.558 86 H HN 0.189 nan 8.280 nan 0.000 0.522 87 E N 4.186 124.470 120.200 0.140 0.000 2.328 87 E HA 0.037 4.399 4.350 0.019 0.000 0.265 87 E C -1.556 175.116 176.600 0.119 0.000 1.057 87 E CA -1.641 54.822 56.400 0.106 0.000 0.916 87 E CB 1.182 30.927 29.700 0.075 0.000 0.993 87 E HN 0.437 nan 8.360 nan 0.000 0.446 88 P HA -0.186 nan 4.420 nan 0.000 0.216 88 P C 1.059 178.403 177.300 0.073 0.000 1.150 88 P CA 1.397 64.563 63.100 0.110 0.000 0.837 88 P CB 0.226 32.001 31.700 0.124 0.000 0.786 89 A N -0.028 122.832 122.820 0.068 0.000 2.019 89 A HA -0.201 4.130 4.320 0.019 0.000 0.219 89 A C 2.078 179.685 177.584 0.038 0.000 1.164 89 A CA 1.500 53.565 52.037 0.047 0.000 0.644 89 A CB -1.037 17.993 19.000 0.051 0.000 0.805 89 A HN 0.230 nan 8.150 nan 0.000 0.449 90 E N -0.594 119.636 120.200 0.049 0.000 2.230 90 E HA -0.033 4.329 4.350 0.019 0.000 0.192 90 E C 1.640 178.258 176.600 0.029 0.000 0.987 90 E CA 1.119 57.544 56.400 0.042 0.000 0.841 90 E CB 0.071 29.805 29.700 0.056 0.000 0.783 90 E HN 0.623 nan 8.360 nan 0.000 0.481 91 V N -2.210 117.721 119.914 0.028 0.000 3.643 91 V HA 0.175 4.306 4.120 0.019 0.000 0.280 91 V C 0.542 176.627 176.094 -0.014 0.000 1.351 91 V CA -0.305 61.992 62.300 -0.006 0.000 1.073 91 V CB 0.666 32.462 31.823 -0.046 0.000 0.863 91 V HN -0.142 nan 8.190 nan 0.000 0.436 92 V N 2.431 122.343 119.914 -0.004 0.000 2.289 92 V HA 0.483 4.615 4.120 0.019 0.000 0.272 92 V C -2.567 173.512 176.094 -0.025 0.000 1.026 92 V CA -1.718 60.568 62.300 -0.024 0.000 0.807 92 V CB 0.680 32.486 31.823 -0.029 0.000 1.044 92 V HN 0.285 nan 8.190 nan 0.000 0.443 93 P HA 0.287 nan 4.420 nan 0.000 0.269 93 P C 1.162 178.441 177.300 -0.035 0.000 1.209 93 P CA 1.162 64.246 63.100 -0.026 0.000 0.776 93 P CB 0.876 32.561 31.700 -0.025 0.000 0.876 94 G N 1.413 110.196 108.800 -0.029 0.000 2.184 94 G HA2 -0.332 3.639 3.960 0.019 0.000 0.264 94 G HA3 -0.332 3.639 3.960 0.019 0.000 0.264 94 G C 0.700 175.577 174.900 -0.037 0.000 0.975 94 G CA 0.466 45.545 45.100 -0.035 0.000 0.642 94 G HN 0.565 nan 8.290 nan 0.000 0.536 95 L N 0.992 122.195 121.223 -0.034 0.000 2.044 95 L HA 0.284 4.635 4.340 0.019 0.000 0.205 95 L C 2.464 179.326 176.870 -0.013 0.000 1.075 95 L CA 2.960 57.780 54.840 -0.033 0.000 0.747 95 L CB -0.527 41.516 42.059 -0.027 0.000 0.903 95 L HN 0.480 nan 8.230 nan 0.000 0.435 96 E N -0.434 119.765 120.200 -0.002 0.000 2.077 96 E HA -0.187 4.174 4.350 0.019 0.000 0.193 96 E C -0.544 176.057 176.600 0.002 0.000 0.989 96 E CA 1.351 57.756 56.400 0.008 0.000 0.800 96 E CB -0.793 28.919 29.700 0.019 0.000 0.746 96 E HN 0.376 nan 8.360 nan 0.000 0.452 97 P HA -0.154 nan 4.420 nan 0.000 0.215 97 P C 1.496 178.790 177.300 -0.009 0.000 1.153 97 P CA 1.065 64.161 63.100 -0.008 0.000 0.853 97 P CB 0.031 31.722 31.700 -0.015 0.000 0.788 98 V N -0.362 119.544 119.914 -0.013 0.000 2.295 98 V HA -0.240 3.891 4.120 0.019 0.000 0.246 98 V C 2.497 178.596 176.094 0.009 0.000 1.049 98 V CA 1.671 63.968 62.300 -0.005 0.000 1.024 98 V CB -1.326 30.489 31.823 -0.012 0.000 0.648 98 V HN 0.062 nan 8.190 nan 0.000 0.447 99 L N -0.692 120.532 121.223 0.001 0.000 2.013 99 L HA -0.232 4.119 4.340 0.019 0.000 0.212 99 L C 2.433 179.291 176.870 -0.020 0.000 1.073 99 L CA 1.670 56.504 54.840 -0.009 0.000 0.753 99 L CB -0.625 41.424 42.059 -0.018 0.000 0.890 99 L HN 0.315 nan 8.230 nan 0.000 0.432 100 L N -0.669 120.546 121.223 -0.012 0.000 2.141 100 L HA -0.196 4.155 4.340 0.019 0.000 0.209 100 L C 2.153 179.023 176.870 0.001 0.000 1.094 100 L CA 0.866 55.700 54.840 -0.010 0.000 0.763 100 L CB -0.573 41.488 42.059 0.002 0.000 0.908 100 L HN 0.252 nan 8.230 nan 0.000 0.437 101 D N 0.112 120.517 120.400 0.008 0.000 2.144 101 D HA -0.120 4.531 4.640 0.019 0.000 0.200 101 D C 2.377 178.702 176.300 0.041 0.000 0.978 101 D CA 1.112 55.123 54.000 0.019 0.000 0.833 101 D CB -0.047 40.759 40.800 0.009 0.000 0.961 101 D HN 0.259 nan 8.370 nan 0.000 0.470 102 L N 0.447 121.698 121.223 0.046 0.000 2.109 102 L HA -0.041 4.311 4.340 0.019 0.000 0.207 102 L C 2.482 179.374 176.870 0.036 0.000 1.086 102 L CA 0.800 55.677 54.840 0.062 0.000 0.760 102 L CB -0.349 41.750 42.059 0.067 0.000 0.910 102 L HN -0.038 nan 8.230 nan 0.000 0.437 103 A N 0.499 123.323 122.820 0.007 0.000 1.883 103 A HA -0.288 4.043 4.320 0.019 0.000 0.217 103 A C 2.410 180.012 177.584 0.031 0.000 1.186 103 A CA 2.121 54.155 52.037 -0.004 0.000 0.624 103 A CB -0.642 18.324 19.000 -0.057 0.000 0.822 103 A HN 0.388 nan 8.150 nan 0.000 0.444 104 R N -0.343 120.176 120.500 0.031 0.000 2.083 104 R HA -0.110 4.241 4.340 0.019 0.000 0.237 104 R C 2.217 178.557 176.300 0.066 0.000 1.137 104 R CA 1.685 57.811 56.100 0.042 0.000 0.951 104 R CB -0.472 29.847 30.300 0.032 0.000 0.851 104 R HN 0.412 nan 8.270 nan 0.000 0.434 105 A N -0.243 122.621 122.820 0.073 0.000 2.015 105 A HA -0.109 4.223 4.320 0.019 0.000 0.219 105 A C 1.969 179.631 177.584 0.129 0.000 1.163 105 A CA 1.786 53.881 52.037 0.096 0.000 0.646 105 A CB -0.431 18.632 19.000 0.106 0.000 0.806 105 A HN 0.657 nan 8.150 nan 0.000 0.448 106 T N -5.097 109.530 114.554 0.121 0.000 3.010 106 T HA 0.141 4.502 4.350 0.019 0.000 0.257 106 T C 0.639 175.520 174.700 0.301 0.000 1.020 106 T CA 0.460 62.695 62.100 0.226 0.000 0.938 106 T CB -0.137 68.756 68.868 0.042 0.000 1.049 106 T HN 0.348 nan 8.240 nan 0.000 0.522 107 N N 0.789 119.591 118.700 0.171 0.000 2.727 107 N HA -0.131 4.620 4.740 0.019 0.000 0.249 107 N C -0.726 174.862 175.510 0.129 0.000 1.048 107 N CA 0.462 53.587 53.050 0.124 0.000 0.714 107 N CB -1.858 36.694 38.487 0.108 0.000 0.959 107 N HN 0.717 nan 8.380 nan 0.000 0.544 108 L N -0.998 120.300 121.223 0.124 0.000 2.277 108 L HA 0.690 5.041 4.340 0.019 0.000 0.254 108 L C -1.924 174.935 176.870 -0.019 0.000 1.044 108 L CA -2.098 52.807 54.840 0.108 0.000 0.842 108 L CB 1.667 43.883 42.059 0.261 0.000 1.422 108 L HN -0.131 nan 8.230 nan 0.000 0.422 109 P HA 0.109 nan 4.420 nan 0.000 0.271 109 P C -2.481 174.617 177.300 -0.337 0.000 1.233 109 P CA -1.095 61.796 63.100 -0.349 0.000 0.789 109 P CB -0.166 31.239 31.700 -0.491 0.000 0.951 110 P HA 0.114 nan 4.420 nan 0.000 0.235 110 P C -0.338 176.814 177.300 -0.246 0.000 1.725 110 P CA 0.319 63.230 63.100 -0.315 0.000 0.894 110 P CB -0.146 31.385 31.700 -0.283 0.000 1.704 111 R N -1.412 118.957 120.500 -0.218 0.000 2.826 111 R HA 0.407 4.759 4.340 0.019 0.000 0.269 111 R C -0.841 175.347 176.300 -0.185 0.000 1.031 111 R CA -0.984 55.044 56.100 -0.120 0.000 0.900 111 R CB 0.404 30.692 30.300 -0.019 0.000 1.318 111 R HN -0.179 nan 8.270 nan 0.000 0.447 112 E N 1.527 121.633 120.200 -0.157 0.000 2.354 112 E HA 0.213 4.574 4.350 0.019 0.000 0.269 112 E C -0.764 175.820 176.600 -0.027 0.000 1.036 112 E CA -0.091 56.146 56.400 -0.271 0.000 0.876 112 E CB 1.390 30.969 29.700 -0.202 0.000 1.009 112 E HN 0.679 nan 8.360 nan 0.000 0.416 113 T N -0.220 114.419 114.554 0.142 0.000 2.905 113 T HA 0.269 4.631 4.350 0.019 0.000 0.283 113 T C 1.136 175.926 174.700 0.149 0.000 1.031 113 T CA -0.629 61.618 62.100 0.245 0.000 1.002 113 T CB 0.903 69.981 68.868 0.350 0.000 1.200 113 T HN 0.363 nan 8.240 nan 0.000 0.560 114 L N 0.518 121.771 121.223 0.050 0.000 2.051 114 L HA -0.054 4.298 4.340 0.019 0.000 0.214 114 L C 2.343 179.127 176.870 -0.144 0.000 1.076 114 L CA 1.778 56.591 54.840 -0.045 0.000 0.758 114 L CB -1.193 40.822 42.059 -0.073 0.000 0.890 114 L HN 0.793 nan 8.230 nan 0.000 0.433 115 L N -1.419 119.623 121.223 -0.303 0.000 2.012 115 L HA -0.285 4.066 4.340 0.019 0.000 0.210 115 L C 2.499 178.985 176.870 -0.639 0.000 1.073 115 L CA 1.681 56.043 54.840 -0.798 0.000 0.748 115 L CB -0.841 40.301 42.059 -1.528 0.000 0.891 115 L HN 0.384 nan 8.230 nan 0.000 0.431 116 H N -1.033 117.927 119.070 -0.182 0.000 2.352 116 H HA -0.162 4.405 4.556 0.018 0.000 0.299 116 H C 2.096 177.505 175.328 0.134 0.000 1.097 116 H CA 1.917 58.069 56.048 0.174 0.000 1.311 116 H CB -0.311 29.547 29.762 0.160 0.000 1.377 116 H HN 0.322 nan 8.280 nan 0.000 0.504 117 V N -1.347 118.650 119.914 0.138 0.000 3.406 117 V HA 0.028 4.159 4.120 0.019 0.000 0.263 117 V C 1.592 177.799 176.094 0.189 0.000 1.172 117 V CA 1.383 63.797 62.300 0.191 0.000 1.140 117 V CB -0.185 31.646 31.823 0.013 0.000 0.784 117 V HN 0.609 nan 8.190 nan 0.000 0.467 118 T N -0.454 114.130 114.554 0.050 0.000 3.422 118 T HA 0.101 4.462 4.350 0.019 0.000 0.192 118 T C 1.704 176.389 174.700 -0.026 0.000 0.857 118 T CA 1.319 63.420 62.100 0.002 0.000 1.400 118 T CB -0.103 68.727 68.868 -0.063 0.000 1.864 118 T HN 0.682 nan 8.240 nan 0.000 0.415 119 V N -2.079 117.733 119.914 -0.170 0.000 2.809 119 V HA 0.110 4.242 4.120 0.019 0.000 0.256 119 V C 1.875 178.043 176.094 0.124 0.000 1.080 119 V CA 0.678 62.890 62.300 -0.148 0.000 1.102 119 V CB -1.269 30.224 31.823 -0.550 0.000 0.705 119 V HN 0.623 nan 8.190 nan 0.000 0.475 120 W N 1.075 122.348 121.300 -0.046 0.000 3.345 120 W HA 0.422 5.092 4.660 0.018 0.000 0.282 120 W C 0.701 177.238 176.519 0.028 0.000 1.302 120 W CA -0.885 56.459 57.345 -0.002 0.000 1.724 120 W CB -1.142 28.282 29.460 -0.059 0.000 1.104 120 W HN 0.367 nan 8.180 nan 0.000 0.694 121 N N 1.663 120.502 118.700 0.231 0.000 2.417 121 N HA 0.264 5.015 4.740 0.019 0.000 0.274 121 N C -2.683 172.882 175.510 0.091 0.000 0.987 121 N CA -2.337 50.811 53.050 0.163 0.000 0.912 121 N CB 1.923 40.523 38.487 0.187 0.000 1.177 121 N HN -0.308 nan 8.380 nan 0.000 0.490 122 P HA 0.081 nan 4.420 nan 0.000 0.270 122 P C 0.471 177.774 177.300 0.005 0.000 1.223 122 P CA -0.009 63.105 63.100 0.024 0.000 0.785 122 P CB 0.513 32.211 31.700 -0.003 0.000 0.923 123 T N -2.391 112.167 114.554 0.006 0.000 3.051 123 T HA 0.249 4.610 4.350 0.019 0.000 0.255 123 T C 0.982 175.672 174.700 -0.017 0.000 1.085 123 T CA 0.119 62.217 62.100 -0.003 0.000 1.109 123 T CB -0.393 68.478 68.868 0.005 0.000 0.921 123 T HN 0.517 nan 8.240 nan 0.000 0.488 124 A N 1.163 123.972 122.820 -0.020 0.000 2.498 124 A HA 0.704 5.036 4.320 0.019 0.000 0.239 124 A C 1.942 179.503 177.584 -0.039 0.000 1.068 124 A CA 0.142 52.164 52.037 -0.025 0.000 0.766 124 A CB -0.231 18.755 19.000 -0.023 0.000 1.003 124 A HN 0.592 nan 8.150 nan 0.000 0.497 125 A N 1.634 124.432 122.820 -0.037 0.000 1.986 125 A HA -0.166 4.165 4.320 0.019 0.000 0.220 125 A C 1.412 178.964 177.584 -0.053 0.000 1.171 125 A CA 2.047 54.056 52.037 -0.046 0.000 0.640 125 A CB -0.499 18.480 19.000 -0.035 0.000 0.811 125 A HN 0.926 nan 8.150 nan 0.000 0.451 126 D N -1.637 118.736 120.400 -0.045 0.000 2.325 126 D HA 0.419 5.070 4.640 0.019 0.000 0.225 126 D C 0.803 177.067 176.300 -0.059 0.000 1.096 126 D CA 0.872 54.843 54.000 -0.049 0.000 0.844 126 D CB 0.163 40.941 40.800 -0.037 0.000 0.925 126 D HN 0.347 nan 8.370 nan 0.000 0.513 127 A N -0.427 122.352 122.820 -0.067 0.000 2.010 127 A HA 0.097 4.428 4.320 0.019 0.000 0.193 127 A C 0.949 178.472 177.584 -0.103 0.000 1.659 127 A CA -0.233 51.757 52.037 -0.077 0.000 1.175 127 A CB -0.225 18.742 19.000 -0.055 0.000 1.301 127 A HN 0.171 nan 8.150 nan 0.000 0.448 128 Q N 1.270 121.010 119.800 -0.101 0.000 2.263 128 Q HA 0.187 4.538 4.340 0.019 0.000 0.289 128 Q C -0.551 175.307 176.000 -0.238 0.000 1.061 128 Q CA 0.082 55.809 55.803 -0.127 0.000 0.927 128 Q CB 0.341 29.021 28.738 -0.097 0.000 1.154 128 Q HN 0.367 nan 8.270 nan 0.000 0.378 129 R N 1.932 122.221 120.500 -0.352 0.000 2.490 129 R HA 0.487 4.838 4.340 0.019 0.000 0.278 129 R C -0.861 174.833 176.300 -1.010 0.000 1.069 129 R CA -0.115 55.529 56.100 -0.761 0.000 1.080 129 R CB 1.754 31.445 30.300 -1.015 0.000 1.030 129 R HN 0.563 nan 8.270 nan 0.000 0.491 130 S N 0.358 115.370 115.700 -1.146 0.000 2.537 130 S HA 0.304 4.785 4.470 0.019 0.000 0.271 130 S C -0.350 173.928 174.600 -0.537 0.000 1.148 130 S CA -0.686 57.134 58.200 -0.633 0.000 0.868 130 S CB 0.427 63.440 63.200 -0.311 0.000 1.115 130 S HN 0.574 nan 8.310 nan 0.000 0.461 131 Y N 1.574 121.798 120.300 -0.126 0.000 2.243 131 Y HA -0.008 4.549 4.550 0.013 0.000 0.293 131 Y C 2.806 178.369 175.900 -0.562 0.000 1.124 131 Y CA 1.743 59.600 58.100 -0.404 0.000 1.159 131 Y CB -0.163 37.780 38.460 -0.862 0.000 1.008 131 Y HN 0.804 nan 8.280 nan 0.000 0.527 132 T N -5.420 108.963 114.554 -0.286 0.000 2.969 132 T HA 0.368 4.729 4.350 0.019 0.000 0.250 132 T C 1.825 176.453 174.700 -0.120 0.000 1.021 132 T CA 0.484 62.449 62.100 -0.226 0.000 1.003 132 T CB 0.143 68.899 68.868 -0.187 0.000 1.040 132 T HN 0.413 nan 8.240 nan 0.000 0.492 133 G N 1.693 110.419 108.800 -0.123 0.000 2.189 133 G HA2 -0.231 3.740 3.960 0.019 0.000 0.267 133 G HA3 -0.231 3.740 3.960 0.019 0.000 0.267 133 G C 0.002 174.861 174.900 -0.068 0.000 0.975 133 G CA 0.488 45.529 45.100 -0.098 0.000 0.644 133 G HN 0.663 nan 8.290 nan 0.000 0.537 134 L N 0.098 121.290 121.223 -0.051 0.000 2.436 134 L HA 0.291 4.642 4.340 0.019 0.000 0.265 134 L C -0.400 176.436 176.870 -0.057 0.000 1.168 134 L CA -1.806 53.016 54.840 -0.030 0.000 0.815 134 L CB 0.845 42.906 42.059 0.003 0.000 1.109 134 L HN -0.116 nan 8.230 nan 0.000 0.462 135 P HA -0.131 nan 4.420 nan 0.000 0.215 135 P C 0.595 177.741 177.300 -0.256 0.000 1.153 135 P CA 1.146 64.135 63.100 -0.185 0.000 0.853 135 P CB 0.183 31.849 31.700 -0.056 0.000 0.788 136 D N -0.796 119.607 120.400 0.005 0.000 2.149 136 D HA -0.184 4.467 4.640 0.019 0.000 0.198 136 D C 1.962 178.352 176.300 0.149 0.000 0.990 136 D CA 0.983 55.075 54.000 0.153 0.000 0.839 136 D CB -0.375 40.543 40.800 0.196 0.000 0.948 136 D HN 0.346 nan 8.370 nan 0.000 0.460 137 E N 0.315 120.571 120.200 0.094 0.000 2.072 137 E HA -0.148 4.213 4.350 0.019 0.000 0.190 137 E C 2.082 178.736 176.600 0.090 0.000 0.982 137 E CA 0.824 57.311 56.400 0.144 0.000 0.803 137 E CB -0.044 29.729 29.700 0.122 0.000 0.755 137 E HN 0.224 nan 8.360 nan 0.000 0.453 138 A N 1.283 124.077 122.820 -0.043 0.000 1.917 138 A HA -0.244 4.088 4.320 0.019 0.000 0.219 138 A C 1.926 179.512 177.584 0.003 0.000 1.182 138 A CA 1.911 53.897 52.037 -0.084 0.000 0.633 138 A CB -0.947 17.927 19.000 -0.209 0.000 0.819 138 A HN 0.405 nan 8.150 nan 0.000 0.448 139 H N -1.360 117.802 119.070 0.153 0.000 2.428 139 H HA -0.030 4.539 4.556 0.021 0.000 0.296 139 H C 2.035 177.534 175.328 0.285 0.000 1.062 139 H CA 1.426 57.626 56.048 0.254 0.000 1.350 139 H CB -0.609 29.294 29.762 0.234 0.000 1.403 139 H HN 0.429 nan 8.280 nan 0.000 0.533 140 L N 0.990 122.417 121.223 0.340 0.000 2.017 140 L HA -0.138 4.213 4.340 0.019 0.000 0.208 140 L C 2.258 179.253 176.870 0.208 0.000 1.073 140 L CA 1.284 56.295 54.840 0.285 0.000 0.745 140 L CB -0.744 41.505 42.059 0.316 0.000 0.894 140 L HN 0.116 nan 8.230 nan 0.000 0.432 141 L N -0.833 120.495 121.223 0.175 0.000 2.046 141 L HA -0.192 4.160 4.340 0.019 0.000 0.208 141 L C 2.578 179.487 176.870 0.066 0.000 1.077 141 L CA 1.485 56.393 54.840 0.114 0.000 0.747 141 L CB -0.813 41.309 42.059 0.104 0.000 0.896 141 L HN 0.320 nan 8.230 nan 0.000 0.432 142 E N 0.867 121.110 120.200 0.072 0.000 2.110 142 E HA -0.213 4.149 4.350 0.019 0.000 0.193 142 E C 2.242 178.762 176.600 -0.133 0.000 0.988 142 E CA 1.706 58.080 56.400 -0.044 0.000 0.804 142 E CB -0.176 29.494 29.700 -0.050 0.000 0.745 142 E HN 0.457 nan 8.360 nan 0.000 0.458 143 S N -0.929 114.781 115.700 0.017 0.000 2.400 143 S HA -0.134 4.347 4.470 0.019 0.000 0.232 143 S C 2.033 176.641 174.600 0.014 0.000 1.025 143 S CA 1.330 59.559 58.200 0.049 0.000 0.993 143 S CB -0.506 62.855 63.200 0.269 0.000 0.808 143 S HN 0.135 nan 8.310 nan 0.000 0.478 144 V N 1.818 121.738 119.914 0.011 0.000 2.535 144 V HA 0.054 4.185 4.120 0.019 0.000 0.246 144 V C 2.792 178.851 176.094 -0.060 0.000 1.045 144 V CA 1.446 63.732 62.300 -0.023 0.000 1.058 144 V CB -0.711 31.095 31.823 -0.028 0.000 0.689 144 V HN 0.418 nan 8.190 nan 0.000 0.461 145 R N -0.044 120.419 120.500 -0.061 0.000 2.159 145 R HA -0.088 4.263 4.340 0.019 0.000 0.237 145 R C 2.191 178.455 176.300 -0.059 0.000 1.131 145 R CA 1.403 57.467 56.100 -0.060 0.000 0.982 145 R CB -0.462 29.810 30.300 -0.047 0.000 0.868 145 R HN 0.436 nan 8.270 nan 0.000 0.453 146 I N 0.388 120.902 120.570 -0.094 0.000 2.264 146 I HA -0.306 3.875 4.170 0.019 0.000 0.248 146 I C 2.052 178.142 176.117 -0.046 0.000 1.111 146 I CA 1.834 63.081 61.300 -0.088 0.000 1.382 146 I CB -0.106 37.820 38.000 -0.123 0.000 1.060 146 I HN 0.249 nan 8.210 nan 0.000 0.418 147 S N -1.431 114.239 115.700 -0.049 0.000 2.559 147 S HA 0.092 4.573 4.470 0.019 0.000 0.226 147 S C 1.583 176.140 174.600 -0.071 0.000 1.030 147 S CA -0.314 57.853 58.200 -0.056 0.000 0.956 147 S CB 0.009 63.163 63.200 -0.076 0.000 0.900 147 S HN 0.199 nan 8.310 nan 0.000 0.510 148 M N 3.633 123.191 119.600 -0.071 0.000 2.065 148 M HA 0.122 4.614 4.480 0.019 0.000 0.259 148 M C 2.161 178.440 176.300 -0.035 0.000 1.069 148 M CA 2.178 57.424 55.300 -0.090 0.000 1.110 148 M CB -1.063 31.455 32.600 -0.136 0.000 1.328 148 M HN 0.423 nan 8.290 nan 0.000 0.405 149 A N -0.485 122.383 122.820 0.080 0.000 1.930 149 A HA 0.106 4.438 4.320 0.019 0.000 0.217 149 A C 2.348 179.925 177.584 -0.012 0.000 1.175 149 A CA 1.918 54.031 52.037 0.126 0.000 0.627 149 A CB -1.405 17.748 19.000 0.254 0.000 0.815 149 A HN 0.682 nan 8.150 nan 0.000 0.443 150 A N -0.521 122.321 122.820 0.037 0.000 1.930 150 A HA 0.004 4.335 4.320 0.019 0.000 0.217 150 A C 2.090 179.652 177.584 -0.037 0.000 1.175 150 A CA 1.647 53.749 52.037 0.109 0.000 0.627 150 A CB -0.527 18.535 19.000 0.104 0.000 0.815 150 A HN 0.657 nan 8.150 nan 0.000 0.443 151 L N 0.220 121.354 121.223 -0.149 0.000 2.056 151 L HA -0.127 4.224 4.340 0.019 0.000 0.207 151 L C 2.109 178.740 176.870 -0.399 0.000 1.078 151 L CA 2.361 57.049 54.840 -0.254 0.000 0.749 151 L CB -0.755 41.140 42.059 -0.273 0.000 0.901 151 L HN 0.516 nan 8.230 nan 0.000 0.433 152 E N -0.379 119.516 120.200 -0.507 0.000 2.077 152 E HA -0.226 4.135 4.350 0.019 0.000 0.193 152 E C 2.158 178.183 176.600 -0.958 0.000 0.989 152 E CA 1.178 57.086 56.400 -0.820 0.000 0.800 152 E CB -0.314 28.771 29.700 -1.024 0.000 0.746 152 E HN 0.662 nan 8.360 nan 0.000 0.452 153 A N 1.431 123.749 122.820 -0.837 0.000 1.933 153 A HA -0.104 4.227 4.320 0.019 0.000 0.218 153 A C 2.382 179.681 177.584 -0.476 0.000 1.175 153 A CA 1.613 53.356 52.037 -0.490 0.000 0.628 153 A CB -0.558 18.208 19.000 -0.390 0.000 0.814 153 A HN 0.294 nan 8.150 nan 0.000 0.444 154 A N -0.079 122.490 122.820 -0.419 0.000 1.933 154 A HA -0.064 4.268 4.320 0.019 0.000 0.218 154 A C 2.089 179.501 177.584 -0.288 0.000 1.175 154 A CA 1.450 53.301 52.037 -0.310 0.000 0.628 154 A CB -0.584 18.299 19.000 -0.195 0.000 0.814 154 A HN 0.504 nan 8.150 nan 0.000 0.444 155 I N -0.228 120.139 120.570 -0.339 0.000 2.179 155 I HA -0.300 3.882 4.170 0.019 0.000 0.242 155 I C 3.003 179.003 176.117 -0.195 0.000 1.088 155 I CA 1.108 62.222 61.300 -0.309 0.000 1.357 155 I CB -0.384 37.348 38.000 -0.447 0.000 1.051 155 I HN 0.357 nan 8.210 nan 0.000 0.409 156 A N 0.978 123.711 122.820 -0.146 0.000 1.883 156 A HA -0.195 4.136 4.320 0.019 0.000 0.217 156 A C 2.304 179.836 177.584 -0.086 0.000 1.186 156 A CA 1.583 53.594 52.037 -0.045 0.000 0.624 156 A CB -0.996 18.040 19.000 0.060 0.000 0.822 156 A HN 0.393 nan 8.150 nan 0.000 0.444 157 L N -0.724 120.405 121.223 -0.158 0.000 2.079 157 L HA -0.182 4.169 4.340 0.019 0.000 0.210 157 L C 2.784 179.573 176.870 -0.136 0.000 1.081 157 L CA 1.767 56.513 54.840 -0.156 0.000 0.752 157 L CB -0.840 41.090 42.059 -0.214 0.000 0.896 157 L HN 0.375 nan 8.230 nan 0.000 0.433 158 T N -0.810 113.651 114.554 -0.155 0.000 2.777 158 T HA -0.136 4.225 4.350 0.019 0.000 0.266 158 T C 2.002 176.633 174.700 -0.116 0.000 1.040 158 T CA 1.268 63.278 62.100 -0.149 0.000 1.141 158 T CB -0.182 68.572 68.868 -0.190 0.000 0.868 158 T HN 0.060 nan 8.240 nan 0.000 0.444 159 V N 1.527 121.364 119.914 -0.127 0.000 2.343 159 V HA -0.177 3.954 4.120 0.019 0.000 0.247 159 V C 2.474 178.612 176.094 0.073 0.000 1.051 159 V CA 1.677 63.936 62.300 -0.068 0.000 1.036 159 V CB -0.594 31.231 31.823 0.002 0.000 0.654 159 V HN 0.538 nan 8.190 nan 0.000 0.451 160 E N -0.203 120.014 120.200 0.028 0.000 2.047 160 E HA -0.234 4.127 4.350 0.019 0.000 0.191 160 E C 2.129 178.754 176.600 0.042 0.000 0.987 160 E CA 1.320 57.744 56.400 0.040 0.000 0.799 160 E CB -0.251 29.445 29.700 -0.006 0.000 0.752 160 E HN 0.415 nan 8.360 nan 0.000 0.449 161 L N 0.544 121.751 121.223 -0.025 0.000 2.131 161 L HA -0.141 4.210 4.340 0.019 0.000 0.210 161 L C 1.977 178.861 176.870 0.023 0.000 1.092 161 L CA 1.394 56.168 54.840 -0.110 0.000 0.759 161 L CB -0.449 41.456 42.059 -0.257 0.000 0.903 161 L HN 0.089 nan 8.230 nan 0.000 0.435 162 F N 0.285 120.219 119.950 -0.027 0.000 2.161 162 F HA -0.242 4.297 4.527 0.019 0.000 0.300 162 F C 1.751 177.623 175.800 0.119 0.000 1.089 162 F CA 1.840 59.877 58.000 0.061 0.000 1.282 162 F CB -0.063 38.973 39.000 0.059 0.000 1.010 162 F HN 0.211 nan 8.300 nan 0.000 0.485 163 D N -0.016 120.571 120.400 0.310 0.000 2.328 163 D HA 0.098 4.749 4.640 0.019 0.000 0.221 163 D C -0.080 176.293 176.300 0.123 0.000 1.072 163 D CA 0.357 54.485 54.000 0.213 0.000 0.850 163 D CB 0.189 41.114 40.800 0.209 0.000 0.922 163 D HN -0.029 nan 8.370 nan 0.000 0.516 164 V N 0.916 120.901 119.914 0.118 0.000 2.407 164 V HA 0.155 4.286 4.120 0.019 0.000 0.278 164 V C 0.616 176.856 176.094 0.244 0.000 1.037 164 V CA -0.783 61.600 62.300 0.138 0.000 0.900 164 V CB 1.707 33.577 31.823 0.079 0.000 0.983 164 V HN -0.048 nan 8.190 nan 0.000 0.459 165 S N 3.416 119.213 115.700 0.162 0.000 2.549 165 S HA 0.141 4.622 4.470 0.019 0.000 0.279 165 S C 0.973 175.644 174.600 0.120 0.000 1.321 165 S CA -0.558 57.706 58.200 0.107 0.000 1.054 165 S CB 0.519 63.747 63.200 0.047 0.000 0.899 165 S HN 0.655 nan 8.310 nan 0.000 0.497 166 L N 6.057 127.211 121.223 -0.115 0.000 2.261 166 L HA -0.001 4.351 4.340 0.019 0.000 0.216 166 L C 2.356 179.157 176.870 -0.116 0.000 1.114 166 L CA 1.690 56.286 54.840 -0.407 0.000 0.777 166 L CB -0.367 41.343 42.059 -0.582 0.000 0.910 166 L HN 0.703 nan 8.230 nan 0.000 0.440 167 R N -1.323 119.160 120.500 -0.029 0.000 2.235 167 R HA 0.022 4.373 4.340 0.019 0.000 0.213 167 R C 1.077 177.416 176.300 0.066 0.000 1.059 167 R CA 0.519 56.647 56.100 0.047 0.000 0.997 167 R CB -0.348 29.973 30.300 0.035 0.000 0.884 167 R HN 0.333 nan 8.270 nan 0.000 0.462 168 S N 1.181 116.891 115.700 0.018 0.000 2.562 168 S HA 0.170 4.651 4.470 0.019 0.000 0.275 168 S C -1.552 172.951 174.600 -0.162 0.000 1.281 168 S CA -1.872 56.279 58.200 -0.080 0.000 1.045 168 S CB 1.206 64.406 63.200 -0.000 0.000 0.962 168 S HN -0.042 nan 8.310 nan 0.000 0.503 169 P HA -0.088 nan 4.420 nan 0.000 0.225 169 P C 0.919 178.192 177.300 -0.046 0.000 1.148 169 P CA 0.813 63.740 63.100 -0.289 0.000 0.779 169 P CB 0.148 31.644 31.700 -0.340 0.000 0.780 170 E N -1.152 119.031 120.200 -0.028 0.000 2.153 170 E HA -0.158 4.203 4.350 0.019 0.000 0.194 170 E C 1.714 178.341 176.600 0.045 0.000 0.988 170 E CA 0.534 56.939 56.400 0.009 0.000 0.811 170 E CB -0.417 29.285 29.700 0.004 0.000 0.746 170 E HN 0.191 nan 8.360 nan 0.000 0.466 171 F N 0.970 120.908 119.950 -0.020 0.000 2.075 171 F HA -0.221 4.317 4.527 0.019 0.000 0.297 171 F C 2.214 178.025 175.800 0.018 0.000 1.113 171 F CA 1.649 59.651 58.000 0.003 0.000 1.218 171 F CB -0.182 38.824 39.000 0.009 0.000 0.984 171 F HN -0.001 nan 8.300 nan 0.000 0.472 172 A N -0.257 122.741 122.820 0.297 0.000 1.933 172 A HA -0.214 4.117 4.320 0.019 0.000 0.218 172 A C 2.070 179.700 177.584 0.077 0.000 1.175 172 A CA 1.746 53.905 52.037 0.204 0.000 0.628 172 A CB -0.791 18.320 19.000 0.185 0.000 0.814 172 A HN 0.597 nan 8.150 nan 0.000 0.444 173 Q N -0.720 119.107 119.800 0.046 0.000 2.050 173 Q HA -0.133 4.219 4.340 0.019 0.000 0.202 173 Q C 2.349 178.339 176.000 -0.016 0.000 0.980 173 Q CA 1.262 57.076 55.803 0.018 0.000 0.840 173 Q CB -0.213 28.533 28.738 0.014 0.000 0.898 173 Q HN 0.508 nan 8.270 nan 0.000 0.424 174 R N 0.244 120.704 120.500 -0.067 0.000 2.096 174 R HA -0.043 4.309 4.340 0.019 0.000 0.235 174 R C 2.334 178.554 176.300 -0.133 0.000 1.127 174 R CA 1.185 57.218 56.100 -0.112 0.000 0.968 174 R CB -0.446 29.744 30.300 -0.185 0.000 0.861 174 R HN 0.163 nan 8.270 nan 0.000 0.440 175 S N 1.237 116.833 115.700 -0.173 0.000 2.368 175 S HA -0.112 4.369 4.470 0.019 0.000 0.224 175 S C 1.339 175.923 174.600 -0.027 0.000 1.029 175 S CA 1.278 59.405 58.200 -0.120 0.000 0.988 175 S CB -0.177 62.989 63.200 -0.056 0.000 0.838 175 S HN 0.256 nan 8.310 nan 0.000 0.462 176 D N 1.091 121.493 120.400 0.003 0.000 2.117 176 D HA -0.112 4.540 4.640 0.019 0.000 0.197 176 D C 1.978 178.296 176.300 0.031 0.000 0.987 176 D CA 0.963 54.977 54.000 0.023 0.000 0.829 176 D CB -0.314 40.505 40.800 0.031 0.000 0.961 176 D HN 0.538 nan 8.370 nan 0.000 0.460 177 E N -0.052 120.172 120.200 0.041 0.000 2.051 177 E HA -0.172 4.189 4.350 0.019 0.000 0.192 177 E C 2.122 178.828 176.600 0.177 0.000 0.991 177 E CA 0.483 56.948 56.400 0.109 0.000 0.799 177 E CB -0.096 29.664 29.700 0.100 0.000 0.748 177 E HN 0.087 nan 8.360 nan 0.000 0.449 178 L N 1.828 123.090 121.223 0.065 0.000 2.042 178 L HA -0.198 4.153 4.340 0.019 0.000 0.210 178 L C 2.293 179.195 176.870 0.055 0.000 1.076 178 L CA 2.010 56.872 54.840 0.036 0.000 0.749 178 L CB -0.600 41.418 42.059 -0.069 0.000 0.893 178 L HN 0.195 nan 8.230 nan 0.000 0.432 179 E N -0.089 120.125 120.200 0.023 0.000 2.118 179 E HA -0.239 4.122 4.350 0.019 0.000 0.195 179 E C 1.996 178.603 176.600 0.012 0.000 0.992 179 E CA 1.401 57.805 56.400 0.007 0.000 0.804 179 E CB -0.074 29.631 29.700 0.008 0.000 0.741 179 E HN 0.629 nan 8.360 nan 0.000 0.458 180 A N -0.159 122.671 122.820 0.016 0.000 1.930 180 A HA -0.151 4.181 4.320 0.019 0.000 0.217 180 A C 2.021 179.527 177.584 -0.129 0.000 1.175 180 A CA 1.181 53.179 52.037 -0.064 0.000 0.627 180 A CB -0.835 18.100 19.000 -0.108 0.000 0.815 180 A HN 0.338 nan 8.150 nan 0.000 0.443 181 Y N 0.007 120.277 120.300 -0.050 0.000 2.200 181 Y HA -0.083 4.478 4.550 0.018 0.000 0.290 181 Y C 2.151 178.001 175.900 -0.085 0.000 1.137 181 Y CA 1.317 59.378 58.100 -0.065 0.000 1.163 181 Y CB -0.349 38.064 38.460 -0.079 0.000 0.988 181 Y HN 0.156 nan 8.280 nan 0.000 0.518 182 L N -0.101 121.153 121.223 0.051 0.000 2.265 182 L HA -0.232 4.120 4.340 0.019 0.000 0.215 182 L C 2.383 179.234 176.870 -0.032 0.000 1.117 182 L CA 1.042 55.864 54.840 -0.031 0.000 0.782 182 L CB -0.413 41.613 42.059 -0.056 0.000 0.914 182 L HN 0.234 nan 8.230 nan 0.000 0.441 183 Q N 0.449 120.237 119.800 -0.019 0.000 2.291 183 Q HA -0.198 4.153 4.340 0.019 0.000 0.206 183 Q C 2.019 178.016 176.000 -0.005 0.000 0.976 183 Q CA 1.392 57.190 55.803 -0.009 0.000 0.875 183 Q CB 0.042 28.767 28.738 -0.021 0.000 0.927 183 Q HN 0.146 nan 8.270 nan 0.000 0.450 184 K N -0.369 120.015 120.400 -0.026 0.000 2.147 184 K HA -0.090 4.241 4.320 0.019 0.000 0.205 184 K C 1.779 178.372 176.600 -0.012 0.000 1.049 184 K CA 1.116 57.390 56.287 -0.021 0.000 0.936 184 K CB -0.230 32.250 32.500 -0.032 0.000 0.722 184 K HN 0.373 nan 8.250 nan 0.000 0.446 185 M N 0.377 119.947 119.600 -0.050 0.000 2.117 185 M HA -0.123 4.368 4.480 0.019 0.000 0.262 185 M C 2.329 178.721 176.300 0.152 0.000 1.065 185 M CA 1.167 56.422 55.300 -0.074 0.000 1.114 185 M CB -1.115 31.271 32.600 -0.356 0.000 1.361 185 M HN -0.158 nan 8.290 nan 0.000 0.408 186 V N 0.320 120.325 119.914 0.150 0.000 2.261 186 V HA -0.263 3.868 4.120 0.019 0.000 0.246 186 V C 2.407 178.588 176.094 0.145 0.000 1.047 186 V CA 2.128 64.534 62.300 0.176 0.000 1.015 186 V CB -0.886 31.002 31.823 0.109 0.000 0.642 186 V HN 0.508 nan 8.190 nan 0.000 0.446 187 E N 0.225 120.487 120.200 0.104 0.000 2.097 187 E HA -0.251 4.110 4.350 0.019 0.000 0.196 187 E C 2.343 179.041 176.600 0.164 0.000 1.000 187 E CA 1.762 58.230 56.400 0.113 0.000 0.804 187 E CB -0.147 29.594 29.700 0.069 0.000 0.740 187 E HN 0.588 nan 8.360 nan 0.000 0.454 188 S N 0.364 116.150 115.700 0.143 0.000 2.365 188 S HA -0.180 4.301 4.470 0.019 0.000 0.225 188 S C 1.878 176.637 174.600 0.265 0.000 1.039 188 S CA 1.271 59.577 58.200 0.177 0.000 1.033 188 S CB -0.171 63.109 63.200 0.133 0.000 0.887 188 S HN 0.321 nan 8.310 nan 0.000 0.447 189 I N 1.092 121.824 120.570 0.269 0.000 2.286 189 I HA -0.060 4.121 4.170 0.019 0.000 0.245 189 I C 2.322 178.572 176.117 0.221 0.000 1.104 189 I CA 0.823 62.276 61.300 0.255 0.000 1.397 189 I CB -1.602 36.532 38.000 0.223 0.000 1.072 189 I HN 0.142 nan 8.210 nan 0.000 0.417 190 V N 0.573 120.596 119.914 0.183 0.000 2.282 190 V HA -0.344 3.787 4.120 0.019 0.000 0.249 190 V C 2.457 178.665 176.094 0.190 0.000 1.057 190 V CA 2.043 64.428 62.300 0.142 0.000 1.032 190 V CB -0.942 30.942 31.823 0.101 0.000 0.645 190 V HN 0.320 nan 8.190 nan 0.000 0.447 191 Y N 0.998 121.387 120.300 0.149 0.000 2.128 191 Y HA -0.264 4.296 4.550 0.018 0.000 0.284 191 Y C 2.401 178.444 175.900 0.240 0.000 1.154 191 Y CA 1.827 60.069 58.100 0.237 0.000 1.149 191 Y CB -0.522 38.081 38.460 0.239 0.000 0.976 191 Y HN 0.170 nan 8.280 nan 0.000 0.505 192 A N -0.968 122.066 122.820 0.356 0.000 1.902 192 A HA -0.252 4.079 4.320 0.019 0.000 0.217 192 A C 2.111 179.752 177.584 0.096 0.000 1.181 192 A CA 1.688 53.867 52.037 0.237 0.000 0.623 192 A CB -1.531 17.597 19.000 0.213 0.000 0.818 192 A HN 0.670 nan 8.150 nan 0.000 0.443 193 Y N 0.000 120.295 120.300 -0.008 0.000 2.224 193 Y HA -0.201 4.362 4.550 0.022 0.000 0.289 193 Y C 2.621 178.429 175.900 -0.154 0.000 1.146 193 Y CA 2.198 60.256 58.100 -0.070 0.000 1.182 193 Y CB -0.126 38.296 38.460 -0.064 0.000 0.983 193 Y HN 0.322 nan 8.280 nan 0.000 0.524 194 R N -1.442 118.987 120.500 -0.118 0.000 2.093 194 R HA -0.096 4.255 4.340 0.019 0.000 0.224 194 R C 1.199 177.112 176.300 -0.646 0.000 1.101 194 R CA 1.624 57.447 56.100 -0.462 0.000 0.979 194 R CB -0.244 29.582 30.300 -0.791 0.000 0.877 194 R HN 0.319 nan 8.270 nan 0.000 0.441 195 F N -0.310 119.454 119.950 -0.311 0.000 2.717 195 F HA 0.336 4.873 4.527 0.017 0.000 0.297 195 F C 0.391 176.091 175.800 -0.167 0.000 1.113 195 F CA -0.197 57.549 58.000 -0.424 0.000 1.319 195 F CB 0.603 39.047 39.000 -0.927 0.000 1.097 195 F HN -0.167 nan 8.300 nan 0.000 0.595 196 I N 0.099 120.714 120.570 0.075 0.000 2.321 196 I HA 0.160 4.341 4.170 0.019 0.000 0.291 196 I C 0.413 176.556 176.117 0.045 0.000 0.998 196 I CA -0.731 60.654 61.300 0.142 0.000 1.227 196 I CB 1.376 39.468 38.000 0.153 0.000 1.368 196 I HN -0.176 nan 8.210 nan 0.000 0.466 197 S N 7.874 123.627 115.700 0.089 0.000 2.488 197 S HA 0.226 4.707 4.470 0.019 0.000 0.278 197 S C -1.564 173.085 174.600 0.081 0.000 1.259 197 S CA -1.070 57.158 58.200 0.046 0.000 1.061 197 S CB 0.834 64.074 63.200 0.067 0.000 0.910 197 S HN 0.363 nan 8.310 nan 0.000 0.491 198 P HA -0.133 nan 4.420 nan 0.000 0.216 198 P C 1.494 178.878 177.300 0.140 0.000 1.150 198 P CA 0.904 64.035 63.100 0.052 0.000 0.837 198 P CB 0.122 31.786 31.700 -0.060 0.000 0.786 199 Q N -0.100 119.749 119.800 0.082 0.000 2.050 199 Q HA -0.129 4.222 4.340 0.019 0.000 0.202 199 Q C 1.864 177.937 176.000 0.121 0.000 0.980 199 Q CA 1.823 57.679 55.803 0.089 0.000 0.840 199 Q CB -1.110 27.655 28.738 0.045 0.000 0.898 199 Q HN -0.006 nan 8.270 nan 0.000 0.424 200 V N 0.570 120.555 119.914 0.119 0.000 2.427 200 V HA -0.166 3.966 4.120 0.019 0.000 0.248 200 V C 1.982 178.153 176.094 0.128 0.000 1.051 200 V CA 1.675 64.040 62.300 0.108 0.000 1.048 200 V CB -0.804 31.084 31.823 0.107 0.000 0.666 200 V HN 0.452 nan 8.190 nan 0.000 0.456 201 F N 0.356 120.350 119.950 0.073 0.000 2.069 201 F HA -0.273 4.267 4.527 0.022 0.000 0.298 201 F C 2.335 178.171 175.800 0.060 0.000 1.113 201 F CA 2.202 60.257 58.000 0.092 0.000 1.214 201 F CB -0.556 38.504 39.000 0.099 0.000 0.978 201 F HN 0.213 nan 8.300 nan 0.000 0.474 202 Y N 1.100 121.389 120.300 -0.018 0.000 2.200 202 Y HA -0.194 4.367 4.550 0.019 0.000 0.290 202 Y C 2.146 177.917 175.900 -0.216 0.000 1.137 202 Y CA 2.161 60.148 58.100 -0.187 0.000 1.163 202 Y CB -0.544 37.837 38.460 -0.131 0.000 0.988 202 Y HN 0.105 nan 8.280 nan 0.000 0.518 203 D N -0.737 119.630 120.400 -0.054 0.000 2.183 203 D HA -0.083 4.568 4.640 0.019 0.000 0.205 203 D C 1.740 177.946 176.300 -0.158 0.000 0.962 203 D CA 1.189 55.130 54.000 -0.097 0.000 0.849 203 D CB 0.063 40.871 40.800 0.014 0.000 0.978 203 D HN 0.432 nan 8.370 nan 0.000 0.488 204 E N -0.484 119.642 120.200 -0.123 0.000 2.399 204 E HA 0.181 4.543 4.350 0.019 0.000 0.205 204 E C 2.185 178.756 176.600 -0.047 0.000 0.906 204 E CA 0.066 56.434 56.400 -0.053 0.000 0.998 204 E CB 0.763 30.472 29.700 0.015 0.000 1.002 204 E HN 0.253 nan 8.360 nan 0.000 0.501 205 L N 0.133 121.223 121.223 -0.221 0.000 2.347 205 L HA 0.176 4.528 4.340 0.019 0.000 0.196 205 L C 2.485 178.956 176.870 -0.666 0.000 1.072 205 L CA 0.090 54.758 54.840 -0.287 0.000 0.817 205 L CB -0.277 41.691 42.059 -0.151 0.000 1.029 205 L HN -0.008 nan 8.230 nan 0.000 0.478 206 R N 1.430 121.433 120.500 -0.827 0.000 2.133 206 R HA -0.164 4.188 4.340 0.019 0.000 0.247 206 R C -0.801 175.148 176.300 -0.586 0.000 1.151 206 R CA 1.890 57.589 56.100 -0.668 0.000 0.971 206 R CB -1.677 28.206 30.300 -0.694 0.000 0.866 206 R HN 0.168 nan 8.270 nan 0.000 0.447 207 P HA -0.061 nan 4.420 nan 0.000 0.225 207 P C 0.365 177.176 177.300 -0.814 0.000 1.148 207 P CA 1.055 63.766 63.100 -0.649 0.000 0.779 207 P CB -0.085 31.197 31.700 -0.697 0.000 0.780 208 F N -3.312 116.128 119.950 -0.850 0.000 2.811 208 F HA 0.038 4.568 4.527 0.005 0.000 0.301 208 F C 0.870 176.161 175.800 -0.848 0.000 1.151 208 F CA 0.535 57.952 58.000 -0.971 0.000 1.412 208 F CB -0.441 37.752 39.000 -1.344 0.000 1.113 208 F HN -0.049 nan 8.300 nan 0.000 0.579 209 Y N -0.199 119.974 120.300 -0.212 0.000 2.708 209 Y HA 0.253 4.817 4.550 0.024 0.000 0.287 209 Y C 0.677 176.533 175.900 -0.074 0.000 1.145 209 Y CA -1.262 56.764 58.100 -0.124 0.000 1.249 209 Y CB -1.056 37.375 38.460 -0.048 0.000 1.152 209 Y HN -0.135 nan 8.280 nan 0.000 0.532 210 E N 1.594 121.784 120.200 -0.016 0.000 2.374 210 E HA 0.220 4.581 4.350 0.019 0.000 0.260 210 E C -2.353 174.268 176.600 0.034 0.000 1.101 210 E CA -1.869 54.524 56.400 -0.011 0.000 0.907 210 E CB 0.415 30.067 29.700 -0.080 0.000 1.014 210 E HN 0.070 nan 8.360 nan 0.000 0.427 211 P HA 0.166 nan 4.420 nan 0.000 0.272 211 P C -0.347 176.996 177.300 0.072 0.000 1.223 211 P CA 0.066 63.207 63.100 0.069 0.000 0.784 211 P CB 0.378 32.102 31.700 0.039 0.000 0.923 212 I N -1.887 118.756 120.570 0.121 0.000 2.846 212 I HA 0.624 4.806 4.170 0.019 0.000 0.307 212 I C -0.511 175.691 176.117 0.142 0.000 1.053 212 I CA -1.489 59.881 61.300 0.116 0.000 1.050 212 I CB 2.494 40.569 38.000 0.127 0.000 1.239 212 I HN 0.043 nan 8.210 nan 0.000 0.439 213 R N 3.141 123.707 120.500 0.110 0.000 2.229 213 R HA 0.731 5.082 4.340 0.019 0.000 0.328 213 R C -1.361 175.025 176.300 0.143 0.000 1.009 213 R CA -0.714 55.451 56.100 0.107 0.000 0.864 213 R CB 1.891 32.224 30.300 0.055 0.000 1.085 213 R HN 0.545 nan 8.270 nan 0.000 0.453 214 V N 0.993 121.037 119.914 0.216 0.000 2.808 214 V HA 0.417 4.548 4.120 0.019 0.000 0.308 214 V C 0.762 176.987 176.094 0.217 0.000 1.099 214 V CA -0.572 61.848 62.300 0.200 0.000 0.920 214 V CB 1.891 33.827 31.823 0.189 0.000 1.014 214 V HN 1.030 nan 8.190 nan 0.000 0.425 215 G N 2.627 111.503 108.800 0.127 0.000 2.225 215 G HA2 0.076 4.047 3.960 0.019 0.000 0.267 215 G HA3 0.076 4.047 3.960 0.019 0.000 0.267 215 G C 1.171 176.115 174.900 0.073 0.000 1.024 215 G CA 0.820 45.982 45.100 0.104 0.000 0.784 215 G HN 2.573 nan 8.290 nan 0.000 0.507 216 G N -1.644 107.187 108.800 0.052 0.000 2.160 216 G HA2 0.028 3.999 3.960 0.019 0.000 0.251 216 G HA3 0.028 3.999 3.960 0.019 0.000 0.251 216 G C 0.226 175.116 174.900 -0.017 0.000 1.008 216 G CA 1.568 46.678 45.100 0.016 0.000 0.724 216 G HN 2.125 nan 8.290 nan 0.000 0.514 217 Q N -1.616 118.163 119.800 -0.035 0.000 2.615 217 Q HA 0.757 5.108 4.340 0.019 0.000 0.298 217 Q C -0.810 175.068 176.000 -0.202 0.000 1.023 217 Q CA -0.524 55.187 55.803 -0.153 0.000 0.768 217 Q CB 1.289 29.872 28.738 -0.258 0.000 1.500 217 Q HN 0.517 nan 8.270 nan 0.000 0.441 218 S N 0.127 115.664 115.700 -0.272 0.000 2.462 218 S HA 0.562 5.043 4.470 0.019 0.000 0.294 218 S C -1.668 172.740 174.600 -0.320 0.000 1.144 218 S CA -0.329 57.765 58.200 -0.177 0.000 1.088 218 S CB 0.192 63.333 63.200 -0.099 0.000 1.009 218 S HN 0.431 nan 8.310 nan 0.000 0.484 219 Y N 4.005 124.362 120.300 0.095 0.000 2.341 219 Y HA 0.444 5.005 4.550 0.018 0.000 0.338 219 Y C 0.332 176.343 175.900 0.185 0.000 0.965 219 Y CA -0.890 57.326 58.100 0.193 0.000 1.108 219 Y CB 1.026 39.594 38.460 0.181 0.000 1.180 219 Y HN 0.503 nan 8.280 nan 0.000 0.458 220 L N 2.846 124.262 121.223 0.321 0.000 2.483 220 L HA 0.233 4.584 4.340 0.019 0.000 0.275 220 L C 1.180 178.119 176.870 0.115 0.000 1.220 220 L CA 0.033 54.926 54.840 0.089 0.000 0.833 220 L CB 0.215 42.182 42.059 -0.152 0.000 1.102 220 L HN 0.846 nan 8.230 nan 0.000 0.490 221 G N 1.391 110.246 108.800 0.090 0.000 2.580 221 G HA2 0.420 4.391 3.960 0.019 0.000 0.278 221 G HA3 0.420 4.391 3.960 0.019 0.000 0.278 221 G C -2.514 172.419 174.900 0.056 0.000 1.212 221 G CA -1.013 44.160 45.100 0.122 0.000 0.939 221 G HN 0.407 nan 8.290 nan 0.000 0.513 222 P HA 0.360 nan 4.420 nan 0.000 0.269 222 P C 0.036 177.225 177.300 -0.186 0.000 1.209 222 P CA 0.112 63.189 63.100 -0.038 0.000 0.776 222 P CB 1.393 33.096 31.700 0.005 0.000 0.876 223 G N -0.072 108.643 108.800 -0.142 0.000 2.702 223 G HA2 0.426 4.397 3.960 0.019 0.000 0.296 223 G HA3 0.426 4.397 3.960 0.019 0.000 0.296 223 G C 0.436 175.284 174.900 -0.087 0.000 1.463 223 G CA -0.068 44.955 45.100 -0.128 0.000 0.890 223 G HN 0.349 nan 8.290 nan 0.000 0.534 224 A N 0.813 123.608 122.820 -0.041 0.000 2.070 224 A HA 0.090 4.421 4.320 0.019 0.000 0.220 224 A C 2.482 180.031 177.584 -0.058 0.000 1.159 224 A CA 2.030 54.051 52.037 -0.028 0.000 0.656 224 A CB -0.357 18.665 19.000 0.037 0.000 0.800 224 A HN 1.566 nan 8.150 nan 0.000 0.453 225 V N 0.399 120.259 119.914 -0.089 0.000 2.546 225 V HA -0.290 3.841 4.120 0.019 0.000 0.254 225 V C 1.972 177.834 176.094 -0.387 0.000 1.076 225 V CA 2.685 64.838 62.300 -0.245 0.000 1.087 225 V CB -0.582 31.043 31.823 -0.330 0.000 0.674 225 V HN 0.747 nan 8.190 nan 0.000 0.470 226 E N -0.515 119.547 120.200 -0.229 0.000 2.418 226 E HA 0.010 4.371 4.350 0.019 0.000 0.197 226 E C 0.831 177.453 176.600 0.037 0.000 1.026 226 E CA -0.070 56.289 56.400 -0.068 0.000 0.862 226 E CB -0.077 29.624 29.700 0.002 0.000 0.799 226 E HN 0.603 nan 8.360 nan 0.000 0.518 227 M N 2.186 121.765 119.600 -0.035 0.000 2.249 227 M HA 0.012 4.504 4.480 0.019 0.000 0.340 227 M C -1.756 174.498 176.300 -0.075 0.000 1.166 227 M CA -1.085 54.167 55.300 -0.079 0.000 1.115 227 M CB 0.247 32.767 32.600 -0.134 0.000 1.606 227 M HN -0.205 nan 8.290 nan 0.000 0.448 228 P HA -0.027 nan 4.420 nan 0.000 0.258 228 P C 0.817 177.799 177.300 -0.530 0.000 1.559 228 P CA 0.225 63.033 63.100 -0.487 0.000 0.855 228 P CB -0.170 31.172 31.700 -0.597 0.000 1.594 229 L N 0.796 121.845 121.223 -0.290 0.000 2.079 229 L HA -0.165 4.186 4.340 0.019 0.000 0.210 229 L C 2.177 178.970 176.870 -0.128 0.000 1.081 229 L CA 1.925 56.633 54.840 -0.220 0.000 0.752 229 L CB -1.515 40.439 42.059 -0.175 0.000 0.896 229 L HN 0.012 nan 8.230 nan 0.000 0.433 230 F N -2.595 117.339 119.950 -0.026 0.000 2.269 230 F HA -0.048 4.490 4.527 0.018 0.000 0.301 230 F C 1.875 177.701 175.800 0.045 0.000 1.082 230 F CA 1.188 59.226 58.000 0.063 0.000 1.360 230 F CB -1.543 37.484 39.000 0.044 0.000 1.041 230 F HN -0.107 nan 8.300 nan 0.000 0.512 231 V N 1.407 120.801 119.914 -0.867 0.000 2.358 231 V HA -0.251 3.880 4.120 0.019 0.000 0.246 231 V C 2.585 178.537 176.094 -0.236 0.000 1.047 231 V CA 1.773 63.803 62.300 -0.449 0.000 1.035 231 V CB -0.685 30.811 31.823 -0.544 0.000 0.658 231 V HN 0.574 nan 8.190 nan 0.000 0.452 232 L N 0.057 121.094 121.223 -0.309 0.000 1.989 232 L HA -0.246 4.105 4.340 0.019 0.000 0.211 232 L C 2.568 179.320 176.870 -0.196 0.000 1.071 232 L CA 2.086 56.771 54.840 -0.258 0.000 0.749 232 L CB -0.311 41.589 42.059 -0.264 0.000 0.890 232 L HN 0.365 nan 8.230 nan 0.000 0.431 233 E N -1.643 118.465 120.200 -0.154 0.000 2.208 233 E HA -0.252 4.109 4.350 0.019 0.000 0.193 233 E C 1.895 178.248 176.600 -0.413 0.000 0.988 233 E CA 0.856 57.098 56.400 -0.263 0.000 0.828 233 E CB -0.117 29.488 29.700 -0.159 0.000 0.763 233 E HN 0.616 nan 8.360 nan 0.000 0.478 234 H N 0.753 119.659 119.070 -0.273 0.000 2.319 234 H HA -0.137 4.430 4.556 0.019 0.000 0.297 234 H C 1.928 177.109 175.328 -0.246 0.000 1.097 234 H CA 1.942 57.851 56.048 -0.231 0.000 1.285 234 H CB -0.119 29.550 29.762 -0.155 0.000 1.368 234 H HN -0.064 nan 8.280 nan 0.000 0.495 235 V N 0.225 119.983 119.914 -0.259 0.000 2.307 235 V HA -0.196 3.936 4.120 0.019 0.000 0.245 235 V C 2.571 178.556 176.094 -0.183 0.000 1.045 235 V CA 1.592 63.635 62.300 -0.428 0.000 1.024 235 V CB -0.747 30.642 31.823 -0.722 0.000 0.651 235 V HN 0.379 nan 8.190 nan 0.000 0.449 236 L N 0.369 121.519 121.223 -0.121 0.000 2.027 236 L HA -0.102 4.249 4.340 0.019 0.000 0.206 236 L C 1.996 179.038 176.870 0.287 0.000 1.074 236 L CA 2.360 57.240 54.840 0.068 0.000 0.745 236 L CB -0.408 41.679 42.059 0.048 0.000 0.898 236 L HN 0.705 nan 8.230 nan 0.000 0.433 237 W N -3.911 117.483 121.300 0.156 0.000 2.396 237 W HA 0.445 5.116 4.660 0.018 0.000 0.216 237 W C 1.247 177.863 176.519 0.161 0.000 0.949 237 W CA 0.391 57.857 57.345 0.203 0.000 1.168 237 W CB -0.498 29.163 29.460 0.335 0.000 0.829 237 W HN 0.105 nan 8.180 nan 0.000 0.663 238 G N 2.005 110.596 108.800 -0.347 0.000 2.744 238 G HA2 -0.079 3.893 3.960 0.019 0.000 0.211 238 G HA3 -0.079 3.893 3.960 0.019 0.000 0.211 238 G C 1.561 176.462 174.900 0.001 0.000 1.146 238 G CA 1.183 46.163 45.100 -0.200 0.000 0.787 238 G HN 0.201 nan 8.290 nan 0.000 0.534 239 S N 0.151 115.666 115.700 -0.309 0.000 2.402 239 S HA -0.174 4.307 4.470 0.019 0.000 0.233 239 S C 1.840 176.372 174.600 -0.113 0.000 1.030 239 S CA 1.355 59.216 58.200 -0.565 0.000 1.003 239 S CB -0.203 62.596 63.200 -0.670 0.000 0.813 239 S HN 0.420 nan 8.310 nan 0.000 0.477 240 Q N 1.000 120.814 119.800 0.023 0.000 2.198 240 Q HA 0.304 4.655 4.340 0.019 0.000 0.209 240 Q C 0.160 176.248 176.000 0.147 0.000 0.848 240 Q CA -0.279 55.576 55.803 0.086 0.000 0.974 240 Q CB 0.625 29.414 28.738 0.086 0.000 1.115 240 Q HN 0.600 nan 8.270 nan 0.000 0.494 241 S N 1.186 117.018 115.700 0.220 0.000 2.568 241 S HA -0.030 4.452 4.470 0.019 0.000 0.282 241 S C 0.449 175.190 174.600 0.235 0.000 1.338 241 S CA -0.056 58.313 58.200 0.281 0.000 1.045 241 S CB 0.628 64.109 63.200 0.467 0.000 0.873 241 S HN 0.355 nan 8.310 nan 0.000 0.516 242 D N 1.290 121.809 120.400 0.198 0.000 2.395 242 D HA 0.117 4.769 4.640 0.019 0.000 0.213 242 D C -0.069 176.333 176.300 0.171 0.000 1.110 242 D CA -0.321 53.774 54.000 0.159 0.000 0.835 242 D CB -0.170 40.699 40.800 0.116 0.000 0.965 242 D HN 0.483 nan 8.370 nan 0.000 0.505 243 D N 1.614 122.150 120.400 0.227 0.000 2.363 243 D HA -0.082 4.569 4.640 0.019 0.000 0.263 243 D C 0.836 177.281 176.300 0.241 0.000 1.258 243 D CA 0.142 54.280 54.000 0.229 0.000 0.907 243 D CB 1.136 42.096 40.800 0.266 0.000 1.107 243 D HN 0.179 nan 8.370 nan 0.000 0.495 244 Q N 2.486 122.390 119.800 0.173 0.000 2.119 244 Q HA -0.123 4.229 4.340 0.019 0.000 0.201 244 Q C 1.284 177.383 176.000 0.164 0.000 0.972 244 Q CA 1.175 57.066 55.803 0.147 0.000 0.847 244 Q CB 0.319 29.123 28.738 0.110 0.000 0.903 244 Q HN 0.504 nan 8.270 nan 0.000 0.433 245 T N 0.197 114.861 114.554 0.183 0.000 2.746 245 T HA -0.184 4.177 4.350 0.019 0.000 0.267 245 T C 1.352 176.209 174.700 0.262 0.000 1.039 245 T CA 1.382 63.602 62.100 0.202 0.000 1.142 245 T CB -0.461 68.508 68.868 0.168 0.000 0.866 245 T HN 0.435 nan 8.240 nan 0.000 0.444 246 Y N 2.229 122.623 120.300 0.155 0.000 2.181 246 Y HA -0.049 4.512 4.550 0.018 0.000 0.288 246 Y C 2.586 178.650 175.900 0.273 0.000 1.146 246 Y CA 1.246 59.471 58.100 0.210 0.000 1.164 246 Y CB -0.392 38.193 38.460 0.207 0.000 0.982 246 Y HN -0.021 nan 8.280 nan 0.000 0.515 247 R N 0.392 120.926 120.500 0.056 0.000 2.073 247 R HA -0.189 4.162 4.340 0.019 0.000 0.234 247 R C 2.140 178.438 176.300 -0.004 0.000 1.134 247 R CA 2.110 58.191 56.100 -0.031 0.000 0.952 247 R CB -0.266 30.078 30.300 0.073 0.000 0.850 247 R HN 0.488 nan 8.270 nan 0.000 0.433 248 E N -0.414 119.829 120.200 0.072 0.000 2.110 248 E HA -0.215 4.146 4.350 0.019 0.000 0.193 248 E C 1.675 178.317 176.600 0.069 0.000 0.988 248 E CA 1.376 57.815 56.400 0.066 0.000 0.804 248 E CB -0.246 29.527 29.700 0.122 0.000 0.745 248 E HN 0.327 nan 8.360 nan 0.000 0.458 249 F N 2.252 122.205 119.950 0.006 0.000 2.046 249 F HA -0.231 4.307 4.527 0.018 0.000 0.297 249 F C 1.859 177.559 175.800 -0.167 0.000 1.123 249 F CA 1.678 59.668 58.000 -0.017 0.000 1.199 249 F CB -0.085 38.862 39.000 -0.089 0.000 0.972 249 F HN -0.221 nan 8.300 nan 0.000 0.474 250 K N 0.152 120.258 120.400 -0.490 0.000 2.063 250 K HA -0.212 4.119 4.320 0.019 0.000 0.208 250 K C 1.974 178.147 176.600 -0.711 0.000 1.048 250 K CA 2.133 57.977 56.287 -0.738 0.000 0.928 250 K CB -0.415 31.961 32.500 -0.207 0.000 0.713 250 K HN 0.458 nan 8.250 nan 0.000 0.442 251 E N 0.074 120.019 120.200 -0.426 0.000 2.208 251 E HA -0.099 4.262 4.350 0.019 0.000 0.193 251 E C 1.877 178.253 176.600 -0.374 0.000 0.988 251 E CA 1.060 57.248 56.400 -0.353 0.000 0.828 251 E CB -0.023 29.570 29.700 -0.178 0.000 0.763 251 E HN 0.259 nan 8.360 nan 0.000 0.478 252 T N 0.407 114.667 114.554 -0.491 0.000 2.699 252 T HA -0.185 4.176 4.350 0.019 0.000 0.268 252 T C 1.147 175.420 174.700 -0.713 0.000 1.036 252 T CA 1.375 63.088 62.100 -0.644 0.000 1.147 252 T CB -0.251 68.088 68.868 -0.883 0.000 0.862 252 T HN 0.265 nan 8.240 nan 0.000 0.446 253 Y N -0.139 119.911 120.300 -0.417 0.000 2.500 253 Y HA 0.345 4.906 4.550 0.018 0.000 0.270 253 Y C 1.792 177.734 175.900 0.070 0.000 1.134 253 Y CA -0.780 57.171 58.100 -0.247 0.000 1.293 253 Y CB -0.439 37.600 38.460 -0.702 0.000 1.063 253 Y HN 0.039 nan 8.280 nan 0.000 0.534 254 L N 1.428 122.649 121.223 -0.003 0.000 2.051 254 L HA -0.174 4.177 4.340 0.019 0.000 0.214 254 L C -0.703 176.219 176.870 0.085 0.000 1.076 254 L CA 2.145 57.025 54.840 0.068 0.000 0.758 254 L CB -1.621 40.320 42.059 -0.196 0.000 0.890 254 L HN 0.064 nan 8.230 nan 0.000 0.433 255 P HA -0.153 nan 4.420 nan 0.000 0.222 255 P C 0.800 177.990 177.300 -0.183 0.000 1.147 255 P CA 1.399 64.413 63.100 -0.144 0.000 0.790 255 P CB -0.088 31.419 31.700 -0.320 0.000 0.780 256 Y N -1.555 118.831 120.300 0.144 0.000 2.482 256 Y HA 0.071 4.632 4.550 0.019 0.000 0.270 256 Y C 1.437 177.434 175.900 0.162 0.000 1.152 256 Y CA -0.407 57.791 58.100 0.164 0.000 1.292 256 Y CB -0.297 38.274 38.460 0.185 0.000 1.070 256 Y HN -0.185 nan 8.280 nan 0.000 0.528 257 V N -1.601 118.488 119.914 0.291 0.000 2.973 257 V HA 0.344 4.475 4.120 0.019 0.000 0.314 257 V C 0.300 176.511 176.094 0.195 0.000 1.066 257 V CA -1.849 60.598 62.300 0.245 0.000 1.021 257 V CB 1.125 33.091 31.823 0.239 0.000 1.076 257 V HN 0.053 nan 8.190 nan 0.000 0.462 258 L N 2.700 124.040 121.223 0.196 0.000 2.543 258 L HA 0.106 4.457 4.340 0.019 0.000 0.285 258 L C -1.182 175.669 176.870 -0.033 0.000 1.236 258 L CA -0.734 54.141 54.840 0.057 0.000 0.871 258 L CB 0.134 42.124 42.059 -0.115 0.000 1.121 258 L HN 0.527 nan 8.230 nan 0.000 0.501 259 P HA -0.259 nan 4.420 nan 0.000 0.217 259 P C 1.278 178.521 177.300 -0.095 0.000 1.151 259 P CA 1.810 64.888 63.100 -0.037 0.000 0.849 259 P CB 0.167 31.846 31.700 -0.035 0.000 0.787 260 A N -1.688 120.991 122.820 -0.236 0.000 1.933 260 A HA -0.224 4.107 4.320 0.019 0.000 0.218 260 A C 1.833 179.317 177.584 -0.167 0.000 1.175 260 A CA 1.572 53.447 52.037 -0.269 0.000 0.628 260 A CB -1.750 16.986 19.000 -0.440 0.000 0.814 260 A HN 0.165 nan 8.150 nan 0.000 0.444 261 Y N -0.149 120.154 120.300 0.005 0.000 2.395 261 Y HA 0.003 4.564 4.550 0.018 0.000 0.293 261 Y C 2.450 178.354 175.900 0.006 0.000 1.123 261 Y CA 0.625 58.711 58.100 -0.024 0.000 1.227 261 Y CB -0.518 37.886 38.460 -0.093 0.000 1.012 261 Y HN 0.260 nan 8.280 nan 0.000 0.552 262 R N 0.144 120.721 120.500 0.129 0.000 2.105 262 R HA -0.131 4.220 4.340 0.019 0.000 0.239 262 R C 2.405 178.784 176.300 0.132 0.000 1.135 262 R CA 1.312 57.472 56.100 0.100 0.000 0.967 262 R CB -0.666 29.664 30.300 0.050 0.000 0.861 262 R HN 0.321 nan 8.270 nan 0.000 0.442 263 A N 0.829 123.704 122.820 0.090 0.000 1.929 263 A HA -0.042 4.289 4.320 0.019 0.000 0.216 263 A C 2.395 180.047 177.584 0.114 0.000 1.176 263 A CA 0.880 52.962 52.037 0.075 0.000 0.628 263 A CB -0.324 18.690 19.000 0.024 0.000 0.816 263 A HN 0.088 nan 8.150 nan 0.000 0.444 264 V N -1.316 118.698 119.914 0.168 0.000 2.295 264 V HA -0.299 3.833 4.120 0.019 0.000 0.246 264 V C 2.313 178.602 176.094 0.324 0.000 1.049 264 V CA 2.175 64.628 62.300 0.255 0.000 1.024 264 V CB -0.996 30.980 31.823 0.255 0.000 0.648 264 V HN 0.719 nan 8.190 nan 0.000 0.447 265 Y N 1.204 121.579 120.300 0.124 0.000 2.128 265 Y HA -0.293 4.269 4.550 0.019 0.000 0.284 265 Y C 2.404 178.381 175.900 0.128 0.000 1.154 265 Y CA 1.980 60.124 58.100 0.074 0.000 1.149 265 Y CB -0.458 37.942 38.460 -0.100 0.000 0.976 265 Y HN 0.170 nan 8.280 nan 0.000 0.505 266 A N 0.401 123.386 122.820 0.275 0.000 1.902 266 A HA -0.235 4.096 4.320 0.019 0.000 0.217 266 A C 2.301 179.904 177.584 0.032 0.000 1.181 266 A CA 1.842 53.975 52.037 0.160 0.000 0.623 266 A CB -0.859 18.213 19.000 0.121 0.000 0.818 266 A HN 0.574 nan 8.150 nan 0.000 0.443 267 R N -1.656 118.827 120.500 -0.028 0.000 2.105 267 R HA -0.123 4.229 4.340 0.019 0.000 0.239 267 R C 1.177 177.211 176.300 -0.443 0.000 1.135 267 R CA 1.930 57.867 56.100 -0.272 0.000 0.967 267 R CB -0.318 29.739 30.300 -0.404 0.000 0.861 267 R HN 0.487 nan 8.270 nan 0.000 0.442 268 F N 0.050 119.926 119.950 -0.123 0.000 2.749 268 F HA 0.270 4.809 4.527 0.019 0.000 0.300 268 F C 0.758 176.454 175.800 -0.172 0.000 1.103 268 F CA -0.206 57.673 58.000 -0.202 0.000 1.342 268 F CB 0.396 39.220 39.000 -0.293 0.000 1.098 268 F HN -0.180 nan 8.300 nan 0.000 0.586 269 S N -0.052 115.685 115.700 0.061 0.000 2.562 269 S HA 0.363 4.844 4.470 0.019 0.000 0.281 269 S C 1.274 175.886 174.600 0.021 0.000 1.333 269 S CA 0.463 58.697 58.200 0.057 0.000 1.052 269 S CB 0.544 63.792 63.200 0.079 0.000 0.884 269 S HN 0.652 nan 8.310 nan 0.000 0.506 270 G N 1.670 110.486 108.800 0.026 0.000 2.166 270 G HA2 -0.198 3.773 3.960 0.019 0.000 0.260 270 G HA3 -0.198 3.773 3.960 0.019 0.000 0.260 270 G C -0.163 174.761 174.900 0.039 0.000 0.986 270 G CA 0.212 45.336 45.100 0.039 0.000 0.683 270 G HN 0.600 nan 8.290 nan 0.000 0.527 271 E N -0.167 120.057 120.200 0.040 0.000 2.312 271 E HA 0.433 4.794 4.350 0.019 0.000 0.267 271 E C -2.718 173.956 176.600 0.123 0.000 0.894 271 E CA -2.117 54.332 56.400 0.081 0.000 0.773 271 E CB 1.828 31.579 29.700 0.084 0.000 1.241 271 E HN -0.028 nan 8.360 nan 0.000 0.432 272 P HA -0.027 nan 4.420 nan 0.000 0.262 272 P C -0.661 176.791 177.300 0.253 0.000 1.182 272 P CA 0.418 63.613 63.100 0.159 0.000 0.761 272 P CB 0.372 32.146 31.700 0.124 0.000 0.795 273 A N 3.523 126.459 122.820 0.194 0.000 2.327 273 A HA 0.106 4.437 4.320 0.019 0.000 0.255 273 A C 1.587 179.317 177.584 0.243 0.000 1.099 273 A CA -0.335 51.841 52.037 0.232 0.000 0.801 273 A CB -0.415 18.684 19.000 0.164 0.000 1.062 273 A HN 0.722 nan 8.150 nan 0.000 0.496 274 L N 0.680 122.068 121.223 0.276 0.000 2.013 274 L HA -0.208 4.143 4.340 0.019 0.000 0.212 274 L C 2.312 179.251 176.870 0.115 0.000 1.073 274 L CA 2.534 57.445 54.840 0.118 0.000 0.753 274 L CB -0.414 41.769 42.059 0.207 0.000 0.890 274 L HN 0.877 nan 8.230 nan 0.000 0.432 275 I N -3.400 117.302 120.570 0.219 0.000 2.546 275 I HA -0.177 4.004 4.170 0.019 0.000 0.255 275 I C 1.723 177.902 176.117 0.103 0.000 1.163 275 I CA 1.226 62.648 61.300 0.203 0.000 1.457 275 I CB -0.589 37.586 38.000 0.292 0.000 1.092 275 I HN 0.165 nan 8.210 nan 0.000 0.434 276 D N 1.546 122.007 120.400 0.102 0.000 2.097 276 D HA -0.177 4.474 4.640 0.019 0.000 0.197 276 D C 2.177 178.486 176.300 0.015 0.000 0.984 276 D CA 0.988 55.025 54.000 0.061 0.000 0.826 276 D CB -0.448 40.401 40.800 0.082 0.000 0.973 276 D HN 0.341 nan 8.370 nan 0.000 0.460 277 R N 1.307 121.797 120.500 -0.017 0.000 2.073 277 R HA -0.076 4.275 4.340 0.019 0.000 0.234 277 R C 2.080 178.334 176.300 -0.076 0.000 1.134 277 R CA 1.524 57.579 56.100 -0.075 0.000 0.952 277 R CB -0.614 29.565 30.300 -0.201 0.000 0.850 277 R HN 0.111 nan 8.270 nan 0.000 0.433 278 A N 1.349 124.132 122.820 -0.062 0.000 1.883 278 A HA -0.142 4.189 4.320 0.019 0.000 0.217 278 A C 2.489 180.008 177.584 -0.108 0.000 1.186 278 A CA 1.496 53.467 52.037 -0.110 0.000 0.624 278 A CB -0.602 18.365 19.000 -0.056 0.000 0.822 278 A HN 0.357 nan 8.150 nan 0.000 0.444 279 L N -0.805 120.386 121.223 -0.054 0.000 2.109 279 L HA -0.146 4.205 4.340 0.019 0.000 0.207 279 L C 2.077 178.918 176.870 -0.048 0.000 1.086 279 L CA 1.217 56.026 54.840 -0.051 0.000 0.760 279 L CB -0.747 41.293 42.059 -0.031 0.000 0.910 279 L HN 0.273 nan 8.230 nan 0.000 0.437 280 D N 0.141 120.518 120.400 -0.038 0.000 2.123 280 D HA -0.235 4.416 4.640 0.019 0.000 0.196 280 D C 2.031 178.304 176.300 -0.044 0.000 0.992 280 D CA 1.273 55.253 54.000 -0.032 0.000 0.833 280 D CB 0.018 40.804 40.800 -0.023 0.000 0.954 280 D HN 0.368 nan 8.370 nan 0.000 0.455 281 E N 0.284 120.446 120.200 -0.063 0.000 2.051 281 E HA -0.146 4.216 4.350 0.019 0.000 0.192 281 E C 2.022 178.577 176.600 -0.075 0.000 0.991 281 E CA 1.001 57.358 56.400 -0.072 0.000 0.799 281 E CB -0.003 29.639 29.700 -0.097 0.000 0.748 281 E HN 0.167 nan 8.360 nan 0.000 0.449 282 A N 1.323 124.088 122.820 -0.092 0.000 1.883 282 A HA -0.227 4.104 4.320 0.019 0.000 0.217 282 A C 2.193 179.743 177.584 -0.056 0.000 1.186 282 A CA 1.634 53.621 52.037 -0.082 0.000 0.624 282 A CB -0.572 18.374 19.000 -0.090 0.000 0.822 282 A HN 0.183 nan 8.150 nan 0.000 0.444 283 R N -0.889 119.583 120.500 -0.047 0.000 2.091 283 R HA -0.137 4.215 4.340 0.019 0.000 0.238 283 R C 2.481 178.763 176.300 -0.030 0.000 1.136 283 R CA 1.348 57.427 56.100 -0.035 0.000 0.959 283 R CB -0.386 29.897 30.300 -0.029 0.000 0.856 283 R HN 0.543 nan 8.270 nan 0.000 0.437 284 A N -0.089 122.713 122.820 -0.030 0.000 1.873 284 A HA -0.080 4.252 4.320 0.019 0.000 0.215 284 A C 2.182 179.752 177.584 -0.024 0.000 1.186 284 A CA 1.249 53.272 52.037 -0.024 0.000 0.616 284 A CB -0.213 18.773 19.000 -0.023 0.000 0.823 284 A HN 0.162 nan 8.150 nan 0.000 0.442 285 V N -1.101 118.794 119.914 -0.031 0.000 2.725 285 V HA 0.353 4.484 4.120 0.019 0.000 0.247 285 V C 1.302 177.379 176.094 -0.028 0.000 1.058 285 V CA 0.938 63.222 62.300 -0.028 0.000 1.080 285 V CB -1.197 30.607 31.823 -0.032 0.000 0.713 285 V HN 1.246 nan 8.190 nan 0.000 0.465 286 G N 0.437 109.217 108.800 -0.034 0.000 2.712 286 G HA2 -0.159 3.812 3.960 0.019 0.000 0.686 286 G HA3 -0.159 3.812 3.960 0.019 0.000 0.686 286 G C 0.309 175.186 174.900 -0.038 0.000 1.181 286 G CA -0.040 45.040 45.100 -0.033 0.000 0.762 286 G HN 0.487 nan 8.290 nan 0.000 0.641 287 T N -1.022 113.510 114.554 -0.037 0.000 3.148 287 T HA 0.113 4.474 4.350 0.019 0.000 0.253 287 T C 1.988 176.665 174.700 -0.039 0.000 1.134 287 T CA 1.153 63.229 62.100 -0.039 0.000 1.051 287 T CB 0.112 68.959 68.868 -0.035 0.000 0.959 287 T HN 0.632 nan 8.240 nan 0.000 0.525 288 R N 1.514 121.992 120.500 -0.037 0.000 2.120 288 R HA 0.015 4.366 4.340 0.019 0.000 0.234 288 R C 0.990 177.259 176.300 -0.053 0.000 1.123 288 R CA 0.864 56.940 56.100 -0.039 0.000 0.975 288 R CB -0.215 30.065 30.300 -0.032 0.000 0.866 288 R HN 0.479 nan 8.270 nan 0.000 0.446 289 D N 0.731 121.100 120.400 -0.052 0.000 2.434 289 D HA -0.102 4.549 4.640 0.019 0.000 0.252 289 D C 0.742 176.981 176.300 -0.102 0.000 1.185 289 D CA 0.211 54.169 54.000 -0.069 0.000 0.886 289 D CB 1.269 42.045 40.800 -0.039 0.000 1.148 289 D HN 0.052 nan 8.370 nan 0.000 0.483 290 E N 3.627 123.714 120.200 -0.189 0.000 2.153 290 E HA -0.235 4.127 4.350 0.019 0.000 0.194 290 E C 1.237 177.723 176.600 -0.191 0.000 0.988 290 E CA 1.595 57.861 56.400 -0.222 0.000 0.811 290 E CB -0.063 29.461 29.700 -0.293 0.000 0.746 290 E HN 0.558 nan 8.360 nan 0.000 0.466 291 H N -0.672 118.396 119.070 -0.002 0.000 2.462 291 H HA 0.042 4.609 4.556 0.019 0.000 0.292 291 H C 2.156 177.469 175.328 -0.026 0.000 1.049 291 H CA 1.195 57.246 56.048 0.004 0.000 1.334 291 H CB -0.210 29.561 29.762 0.014 0.000 1.404 291 H HN 0.105 nan 8.280 nan 0.000 0.544 292 V N 1.497 121.430 119.914 0.031 0.000 2.307 292 V HA -0.218 3.913 4.120 0.019 0.000 0.245 292 V C 2.620 178.690 176.094 -0.040 0.000 1.045 292 V CA 1.485 63.756 62.300 -0.048 0.000 1.024 292 V CB -0.245 31.541 31.823 -0.062 0.000 0.651 292 V HN 0.341 nan 8.190 nan 0.000 0.449 293 R N 0.245 120.731 120.500 -0.023 0.000 2.080 293 R HA -0.159 4.192 4.340 0.019 0.000 0.236 293 R C 2.453 178.766 176.300 0.020 0.000 1.137 293 R CA 1.692 57.785 56.100 -0.011 0.000 0.943 293 R CB -0.885 29.405 30.300 -0.017 0.000 0.846 293 R HN 0.525 nan 8.270 nan 0.000 0.431 294 A N 0.864 123.712 122.820 0.046 0.000 1.933 294 A HA -0.098 4.233 4.320 0.019 0.000 0.218 294 A C 2.429 180.087 177.584 0.123 0.000 1.175 294 A CA 1.877 53.966 52.037 0.086 0.000 0.628 294 A CB -1.080 17.991 19.000 0.118 0.000 0.814 294 A HN 0.493 nan 8.150 nan 0.000 0.444 295 G N -0.289 108.585 108.800 0.123 0.000 2.418 295 G HA2 -0.139 3.833 3.960 0.019 0.000 0.217 295 G HA3 -0.139 3.833 3.960 0.019 0.000 0.217 295 G C 1.548 176.545 174.900 0.162 0.000 1.158 295 G CA 0.997 46.218 45.100 0.201 0.000 0.771 295 G HN 0.433 nan 8.290 nan 0.000 0.545 296 L N 0.464 121.706 121.223 0.033 0.000 2.093 296 L HA -0.060 4.292 4.340 0.019 0.000 0.208 296 L C 3.171 180.095 176.870 0.091 0.000 1.085 296 L CA 1.413 56.280 54.840 0.045 0.000 0.755 296 L CB -0.683 41.368 42.059 -0.013 0.000 0.904 296 L HN 0.173 nan 8.230 nan 0.000 0.435 297 T N -0.032 114.570 114.554 0.080 0.000 2.746 297 T HA -0.156 4.205 4.350 0.019 0.000 0.267 297 T C 2.015 176.779 174.700 0.107 0.000 1.039 297 T CA 1.336 63.483 62.100 0.078 0.000 1.142 297 T CB -0.213 68.691 68.868 0.059 0.000 0.866 297 T HN 0.436 nan 8.240 nan 0.000 0.444 298 A N 1.042 123.943 122.820 0.135 0.000 1.930 298 A HA 0.030 4.361 4.320 0.019 0.000 0.217 298 A C 2.212 179.893 177.584 0.161 0.000 1.175 298 A CA 1.037 53.157 52.037 0.138 0.000 0.627 298 A CB -0.708 18.384 19.000 0.154 0.000 0.815 298 A HN 0.375 nan 8.150 nan 0.000 0.443 299 L N 0.131 121.495 121.223 0.235 0.000 2.056 299 L HA -0.110 4.242 4.340 0.019 0.000 0.207 299 L C 2.280 179.338 176.870 0.313 0.000 1.078 299 L CA 2.453 57.468 54.840 0.291 0.000 0.749 299 L CB -0.610 41.676 42.059 0.380 0.000 0.901 299 L HN 0.618 nan 8.230 nan 0.000 0.433 300 E N -0.692 119.647 120.200 0.232 0.000 2.110 300 E HA -0.255 4.107 4.350 0.019 0.000 0.193 300 E C 2.250 178.964 176.600 0.190 0.000 0.988 300 E CA 1.027 57.552 56.400 0.209 0.000 0.804 300 E CB -0.003 29.759 29.700 0.104 0.000 0.745 300 E HN 0.476 nan 8.360 nan 0.000 0.458 301 R N -0.058 120.522 120.500 0.133 0.000 2.115 301 R HA -0.087 4.265 4.340 0.019 0.000 0.230 301 R C 2.447 178.786 176.300 0.065 0.000 1.111 301 R CA 1.094 57.248 56.100 0.089 0.000 0.976 301 R CB -0.132 30.207 30.300 0.065 0.000 0.870 301 R HN 0.120 nan 8.270 nan 0.000 0.445 302 V N 0.606 120.551 119.914 0.052 0.000 2.287 302 V HA -0.255 3.877 4.120 0.019 0.000 0.248 302 V C 1.917 177.925 176.094 -0.144 0.000 1.053 302 V CA 1.846 64.106 62.300 -0.067 0.000 1.027 302 V CB -0.512 31.230 31.823 -0.135 0.000 0.646 302 V HN 0.158 nan 8.190 nan 0.000 0.447 303 F N 0.376 120.334 119.950 0.013 0.000 2.171 303 F HA -0.135 4.403 4.527 0.019 0.000 0.300 303 F C 2.421 178.198 175.800 -0.039 0.000 1.090 303 F CA 1.964 59.945 58.000 -0.031 0.000 1.293 303 F CB -0.476 38.480 39.000 -0.073 0.000 1.013 303 F HN 0.024 nan 8.300 nan 0.000 0.486 304 K N 0.325 120.809 120.400 0.139 0.000 2.044 304 K HA -0.211 4.121 4.320 0.019 0.000 0.210 304 K C 2.228 178.854 176.600 0.043 0.000 1.049 304 K CA 1.660 57.993 56.287 0.076 0.000 0.927 304 K CB -0.579 31.963 32.500 0.070 0.000 0.713 304 K HN 0.194 nan 8.250 nan 0.000 0.443 305 V N 1.243 121.174 119.914 0.029 0.000 2.548 305 V HA -0.160 3.971 4.120 0.019 0.000 0.249 305 V C 2.011 178.135 176.094 0.050 0.000 1.055 305 V CA 1.291 63.608 62.300 0.029 0.000 1.065 305 V CB -0.179 31.651 31.823 0.012 0.000 0.681 305 V HN 0.343 nan 8.190 nan 0.000 0.462 306 L N -0.636 120.600 121.223 0.022 0.000 2.042 306 L HA -0.203 4.148 4.340 0.019 0.000 0.210 306 L C 2.416 179.348 176.870 0.103 0.000 1.076 306 L CA 1.802 56.685 54.840 0.071 0.000 0.749 306 L CB -0.478 41.590 42.059 0.014 0.000 0.893 306 L HN 0.327 nan 8.230 nan 0.000 0.432 307 L N -0.973 120.251 121.223 0.001 0.000 2.156 307 L HA -0.118 4.234 4.340 0.019 0.000 0.208 307 L C 2.667 179.511 176.870 -0.043 0.000 1.095 307 L CA 0.834 55.613 54.840 -0.101 0.000 0.770 307 L CB -0.384 41.556 42.059 -0.198 0.000 0.914 307 L HN 0.170 nan 8.230 nan 0.000 0.439 308 R N -0.819 119.693 120.500 0.020 0.000 2.189 308 R HA -0.134 4.217 4.340 0.019 0.000 0.218 308 R C 2.115 178.454 176.300 0.066 0.000 1.074 308 R CA 1.144 57.262 56.100 0.030 0.000 0.991 308 R CB -0.181 30.144 30.300 0.041 0.000 0.883 308 R HN 0.291 nan 8.270 nan 0.000 0.457 309 F N 1.151 121.092 119.950 -0.015 0.000 2.147 309 F HA 0.005 4.543 4.527 0.018 0.000 0.291 309 F C 2.426 178.241 175.800 0.025 0.000 1.093 309 F CA 1.032 59.034 58.000 0.004 0.000 1.263 309 F CB -0.191 38.800 39.000 -0.016 0.000 1.036 309 F HN -0.301 nan 8.300 nan 0.000 0.481 310 R N 0.468 120.761 120.500 -0.345 0.000 2.075 310 R HA -0.031 4.320 4.340 0.019 0.000 0.232 310 R C 2.340 178.460 176.300 -0.299 0.000 1.126 310 R CA 1.332 57.145 56.100 -0.478 0.000 0.963 310 R CB -0.648 29.583 30.300 -0.114 0.000 0.858 310 R HN 0.412 nan 8.270 nan 0.000 0.435 311 A N 1.137 123.847 122.820 -0.182 0.000 1.873 311 A HA -0.013 4.318 4.320 0.019 0.000 0.215 311 A C -0.495 177.027 177.584 -0.104 0.000 1.186 311 A CA 0.913 52.891 52.037 -0.097 0.000 0.616 311 A CB -1.279 17.705 19.000 -0.027 0.000 0.823 311 A HN 0.334 nan 8.150 nan 0.000 0.442 312 P HA -0.160 nan 4.420 nan 0.000 0.219 312 P C 1.477 178.712 177.300 -0.108 0.000 1.150 312 P CA 1.316 64.342 63.100 -0.123 0.000 0.814 312 P CB -0.245 31.384 31.700 -0.120 0.000 0.787 313 H N 0.118 119.008 119.070 -0.299 0.000 2.389 313 H HA -0.088 4.480 4.556 0.019 0.000 0.299 313 H C 1.801 177.029 175.328 -0.167 0.000 1.081 313 H CA 1.105 56.973 56.048 -0.301 0.000 1.345 313 H CB -0.594 28.749 29.762 -0.698 0.000 1.393 313 H HN -0.042 nan 8.280 nan 0.000 0.520 314 L N 1.651 122.792 121.223 -0.136 0.000 2.042 314 L HA -0.165 4.187 4.340 0.019 0.000 0.210 314 L C 2.225 179.035 176.870 -0.101 0.000 1.076 314 L CA 1.718 56.497 54.840 -0.102 0.000 0.749 314 L CB -0.452 41.583 42.059 -0.039 0.000 0.893 314 L HN 0.044 nan 8.230 nan 0.000 0.432 315 K N -0.469 119.893 120.400 -0.063 0.000 2.057 315 K HA -0.132 4.199 4.320 0.019 0.000 0.206 315 K C 2.127 178.758 176.600 0.051 0.000 1.050 315 K CA 1.564 57.856 56.287 0.008 0.000 0.935 315 K CB -0.926 31.588 32.500 0.023 0.000 0.715 315 K HN 0.349 nan 8.250 nan 0.000 0.439 316 L N 1.367 122.608 121.223 0.031 0.000 1.989 316 L HA -0.167 4.184 4.340 0.019 0.000 0.211 316 L C 2.292 179.087 176.870 -0.125 0.000 1.071 316 L CA 2.143 56.971 54.840 -0.020 0.000 0.749 316 L CB -0.750 41.278 42.059 -0.052 0.000 0.890 316 L HN 0.162 nan 8.230 nan 0.000 0.431 317 A N -0.818 121.872 122.820 -0.216 0.000 1.877 317 A HA -0.240 4.092 4.320 0.019 0.000 0.216 317 A C 2.183 179.822 177.584 0.092 0.000 1.186 317 A CA 1.912 53.897 52.037 -0.087 0.000 0.620 317 A CB -0.750 18.137 19.000 -0.189 0.000 0.822 317 A HN 0.635 nan 8.150 nan 0.000 0.443 318 E N -0.960 119.255 120.200 0.026 0.000 2.110 318 E HA -0.200 4.162 4.350 0.019 0.000 0.193 318 E C 2.301 178.933 176.600 0.054 0.000 0.988 318 E CA 1.077 57.512 56.400 0.057 0.000 0.804 318 E CB -0.151 29.561 29.700 0.020 0.000 0.745 318 E HN 0.589 nan 8.360 nan 0.000 0.458 319 R N 0.580 121.090 120.500 0.016 0.000 2.081 319 R HA -0.132 4.219 4.340 0.019 0.000 0.235 319 R C 2.234 178.508 176.300 -0.044 0.000 1.131 319 R CA 1.296 57.382 56.100 -0.024 0.000 0.960 319 R CB -0.153 30.110 30.300 -0.062 0.000 0.856 319 R HN 0.133 nan 8.270 nan 0.000 0.436 320 A N -0.229 122.579 122.820 -0.020 0.000 1.898 320 A HA -0.152 4.179 4.320 0.019 0.000 0.216 320 A C 1.551 179.024 177.584 -0.185 0.000 1.181 320 A CA 1.069 53.089 52.037 -0.028 0.000 0.620 320 A CB -0.577 18.432 19.000 0.015 0.000 0.819 320 A HN 0.483 nan 8.150 nan 0.000 0.442 321 Y N -0.653 119.628 120.300 -0.032 0.000 2.529 321 Y HA 0.118 4.682 4.550 0.022 0.000 0.290 321 Y C 2.055 177.825 175.900 -0.217 0.000 1.177 321 Y CA 0.873 58.899 58.100 -0.123 0.000 1.305 321 Y CB 0.034 38.513 38.460 0.031 0.000 1.047 321 Y HN 0.395 nan 8.280 nan 0.000 0.522 322 E N -0.218 119.921 120.200 -0.102 0.000 2.358 322 E HA 0.004 4.365 4.350 0.019 0.000 0.195 322 E C 0.582 177.060 176.600 -0.204 0.000 1.010 322 E CA 0.223 56.556 56.400 -0.111 0.000 0.856 322 E CB 0.170 29.832 29.700 -0.062 0.000 0.795 322 E HN 0.087 nan 8.360 nan 0.000 0.504 330 I N -1.211 119.428 120.570 0.115 0.000 2.892 330 I HA 0.827 5.008 4.170 0.019 0.000 0.306 330 I C 0.536 176.693 176.117 0.067 0.000 1.078 330 I CA -0.841 60.450 61.300 -0.015 0.000 1.032 330 I CB 1.698 39.703 38.000 0.009 0.000 1.229 330 I HN 0.546 nan 8.210 nan 0.000 0.435 331 G N 1.509 110.317 108.800 0.013 0.000 2.631 331 G HA2 0.205 4.177 3.960 0.019 0.000 0.271 331 G HA3 0.205 4.177 3.960 0.019 0.000 0.271 331 G C 0.935 175.968 174.900 0.220 0.000 1.302 331 G CA 0.081 45.316 45.100 0.224 0.000 1.002 331 G HN 0.949 nan 8.290 nan 0.000 0.519 332 S N -1.322 114.526 115.700 0.247 0.000 2.399 332 S HA -0.046 4.435 4.470 0.019 0.000 0.231 332 S C 2.256 176.933 174.600 0.128 0.000 1.022 332 S CA 1.349 59.655 58.200 0.176 0.000 0.983 332 S CB -0.416 62.878 63.200 0.156 0.000 0.803 332 S HN 0.920 nan 8.310 nan 0.000 0.480 333 G N 0.515 109.423 108.800 0.179 0.000 2.744 333 G HA2 0.385 4.356 3.960 0.019 0.000 0.211 333 G HA3 0.385 4.356 3.960 0.019 0.000 0.211 333 G C 1.071 176.119 174.900 0.246 0.000 1.143 333 G CA 0.122 45.411 45.100 0.315 0.000 0.788 333 G HN 1.455 nan 8.290 nan 0.000 0.534 334 G N -1.925 106.938 108.800 0.105 0.000 2.144 334 G HA2 -0.245 3.726 3.960 0.019 0.000 0.218 334 G HA3 -0.245 3.726 3.960 0.019 0.000 0.218 334 G C -0.094 174.659 174.900 -0.244 0.000 0.988 334 G CA 0.073 45.115 45.100 -0.097 0.000 0.659 334 G HN 0.425 nan 8.290 nan 0.000 0.522 335 Y N 0.575 120.930 120.300 0.092 0.000 2.468 335 Y HA 0.715 5.276 4.550 0.018 0.000 0.342 335 Y C 0.717 176.597 175.900 -0.034 0.000 1.021 335 Y CA -0.297 57.836 58.100 0.055 0.000 1.079 335 Y CB 1.842 40.365 38.460 0.104 0.000 1.226 335 Y HN 0.426 nan 8.280 nan 0.000 0.460 336 A N 3.506 126.394 122.820 0.113 0.000 2.366 336 A HA 0.324 4.655 4.320 0.019 0.000 0.249 336 A C -1.808 175.767 177.584 -0.016 0.000 1.084 336 A CA -1.328 50.698 52.037 -0.018 0.000 0.794 336 A CB -0.030 18.975 19.000 0.008 0.000 1.034 336 A HN 0.668 nan 8.150 nan 0.000 0.491 337 P HA -0.166 nan 4.420 nan 0.000 0.222 337 P C 1.556 178.844 177.300 -0.020 0.000 1.142 337 P CA 1.826 64.891 63.100 -0.058 0.000 0.788 337 P CB 0.042 31.704 31.700 -0.064 0.000 0.767 338 S N -1.155 114.544 115.700 -0.002 0.000 2.419 338 S HA -0.181 4.300 4.470 0.019 0.000 0.233 338 S C 1.841 176.437 174.600 -0.005 0.000 1.016 338 S CA 1.156 59.359 58.200 0.006 0.000 0.974 338 S CB -1.167 62.046 63.200 0.022 0.000 0.786 338 S HN 0.058 nan 8.310 nan 0.000 0.492 339 M N 1.397 120.992 119.600 -0.008 0.000 2.460 339 M HA 0.246 4.737 4.480 0.019 0.000 0.263 339 M C 1.584 177.772 176.300 -0.185 0.000 1.071 339 M CA 1.195 56.431 55.300 -0.106 0.000 1.096 339 M CB -0.647 31.828 32.600 -0.208 0.000 1.408 339 M HN 0.336 nan 8.290 nan 0.000 0.463 340 L N -0.986 120.170 121.223 -0.112 0.000 2.072 340 L HA 0.046 4.397 4.340 0.019 0.000 0.205 340 L C 2.522 179.353 176.870 -0.065 0.000 1.079 340 L CA 1.061 55.846 54.840 -0.092 0.000 0.752 340 L CB -1.521 40.532 42.059 -0.011 0.000 0.906 340 L HN 0.495 nan 8.230 nan 0.000 0.436 341 G N -0.243 108.535 108.800 -0.037 0.000 2.442 341 G HA2 -0.245 3.726 3.960 0.019 0.000 0.219 341 G HA3 -0.245 3.726 3.960 0.019 0.000 0.219 341 G C 1.437 176.328 174.900 -0.015 0.000 1.141 341 G CA 0.635 45.727 45.100 -0.013 0.000 0.763 341 G HN 0.398 nan 8.290 nan 0.000 0.554 342 E N -0.499 119.679 120.200 -0.035 0.000 2.072 342 E HA -0.077 4.284 4.350 0.019 0.000 0.191 342 E C 2.381 178.954 176.600 -0.046 0.000 0.985 342 E CA 0.642 57.024 56.400 -0.030 0.000 0.801 342 E CB -0.167 29.518 29.700 -0.025 0.000 0.750 342 E HN 0.319 nan 8.360 nan 0.000 0.452 343 L N 1.023 122.191 121.223 -0.091 0.000 2.093 343 L HA -0.124 4.227 4.340 0.019 0.000 0.208 343 L C 2.136 178.977 176.870 -0.050 0.000 1.085 343 L CA 1.194 55.990 54.840 -0.074 0.000 0.755 343 L CB -0.466 41.504 42.059 -0.148 0.000 0.904 343 L HN 0.135 nan 8.230 nan 0.000 0.435 344 L N -0.986 120.204 121.223 -0.055 0.000 2.046 344 L HA -0.185 4.166 4.340 0.019 0.000 0.208 344 L C 2.307 179.163 176.870 -0.023 0.000 1.077 344 L CA 2.404 57.200 54.840 -0.074 0.000 0.747 344 L CB -1.128 40.918 42.059 -0.023 0.000 0.896 344 L HN 0.319 nan 8.230 nan 0.000 0.432 345 T N 0.007 114.587 114.554 0.043 0.000 2.684 345 T HA -0.203 4.158 4.350 0.019 0.000 0.267 345 T C 1.986 176.667 174.700 -0.032 0.000 1.036 345 T CA 1.893 64.035 62.100 0.070 0.000 1.148 345 T CB -0.421 68.463 68.868 0.027 0.000 0.863 345 T HN 0.318 nan 8.240 nan 0.000 0.436 346 L N 0.790 121.948 121.223 -0.109 0.000 2.079 346 L HA -0.144 4.208 4.340 0.019 0.000 0.210 346 L C 2.869 179.404 176.870 -0.558 0.000 1.081 346 L CA 1.288 55.979 54.840 -0.249 0.000 0.752 346 L CB -1.104 40.859 42.059 -0.159 0.000 0.896 346 L HN 0.339 nan 8.230 nan 0.000 0.433 347 T N -1.685 112.584 114.554 -0.475 0.000 2.812 347 T HA -0.168 4.193 4.350 0.019 0.000 0.264 347 T C 1.730 176.178 174.700 -0.420 0.000 1.042 347 T CA 1.126 62.882 62.100 -0.574 0.000 1.140 347 T CB -0.379 68.298 68.868 -0.319 0.000 0.870 347 T HN 0.244 nan 8.240 nan 0.000 0.445 348 Y N 1.554 121.714 120.300 -0.234 0.000 2.165 348 Y HA -0.105 4.456 4.550 0.019 0.000 0.286 348 Y C 2.865 178.616 175.900 -0.249 0.000 1.155 348 Y CA 0.767 58.751 58.100 -0.192 0.000 1.164 348 Y CB -0.422 37.959 38.460 -0.131 0.000 0.978 348 Y HN 0.204 nan 8.280 nan 0.000 0.513 349 A N 0.106 122.862 122.820 -0.107 0.000 1.902 349 A HA -0.189 4.142 4.320 0.019 0.000 0.217 349 A C 2.391 179.801 177.584 -0.291 0.000 1.181 349 A CA 1.773 53.711 52.037 -0.166 0.000 0.623 349 A CB -1.212 17.704 19.000 -0.141 0.000 0.818 349 A HN 0.436 nan 8.150 nan 0.000 0.443 350 A N -0.337 122.191 122.820 -0.486 0.000 1.877 350 A HA -0.171 4.160 4.320 0.019 0.000 0.216 350 A C 2.269 179.322 177.584 -0.886 0.000 1.186 350 A CA 1.738 53.367 52.037 -0.680 0.000 0.620 350 A CB -0.533 17.892 19.000 -0.959 0.000 0.822 350 A HN 0.554 nan 8.150 nan 0.000 0.443 351 R N -0.269 119.756 120.500 -0.791 0.000 2.091 351 R HA -0.118 4.234 4.340 0.019 0.000 0.238 351 R C 2.307 178.409 176.300 -0.330 0.000 1.136 351 R CA 1.759 57.504 56.100 -0.591 0.000 0.959 351 R CB -0.382 29.809 30.300 -0.182 0.000 0.856 351 R HN 0.458 nan 8.270 nan 0.000 0.437 352 S N 0.309 115.874 115.700 -0.226 0.000 2.387 352 S HA -0.139 4.342 4.470 0.019 0.000 0.230 352 S C 1.811 176.316 174.600 -0.157 0.000 1.035 352 S CA 1.435 59.547 58.200 -0.147 0.000 1.014 352 S CB -0.164 62.970 63.200 -0.109 0.000 0.836 352 S HN 0.428 nan 8.310 nan 0.000 0.466 353 R N 0.182 120.559 120.500 -0.205 0.000 2.092 353 R HA -0.008 4.343 4.340 0.019 0.000 0.231 353 R C 2.184 178.391 176.300 -0.155 0.000 1.119 353 R CA 1.097 57.099 56.100 -0.162 0.000 0.970 353 R CB -0.465 29.741 30.300 -0.157 0.000 0.864 353 R HN 0.275 nan 8.270 nan 0.000 0.440 354 V N 1.937 121.718 119.914 -0.222 0.000 2.307 354 V HA -0.265 3.866 4.120 0.019 0.000 0.245 354 V C 2.417 178.459 176.094 -0.087 0.000 1.045 354 V CA 2.131 64.342 62.300 -0.148 0.000 1.024 354 V CB -0.546 31.175 31.823 -0.171 0.000 0.651 354 V HN 0.419 nan 8.190 nan 0.000 0.449 355 R N 1.548 121.993 120.500 -0.092 0.000 2.115 355 R HA 0.037 4.388 4.340 0.019 0.000 0.226 355 R C 2.203 178.474 176.300 -0.049 0.000 1.100 355 R CA 1.396 57.464 56.100 -0.053 0.000 0.980 355 R CB -0.806 29.469 30.300 -0.042 0.000 0.875 355 R HN 0.365 nan 8.270 nan 0.000 0.445 356 A N 1.699 124.482 122.820 -0.061 0.000 2.019 356 A HA 0.048 4.379 4.320 0.019 0.000 0.219 356 A C 2.431 179.988 177.584 -0.045 0.000 1.164 356 A CA 1.323 53.330 52.037 -0.051 0.000 0.644 356 A CB -0.585 18.382 19.000 -0.055 0.000 0.805 356 A HN 0.514 nan 8.150 nan 0.000 0.449 357 A N -0.974 121.816 122.820 -0.050 0.000 2.121 357 A HA 0.297 4.629 4.320 0.019 0.000 0.218 357 A C 1.145 178.707 177.584 -0.037 0.000 1.154 357 A CA 0.525 52.535 52.037 -0.044 0.000 0.679 357 A CB -0.320 18.650 19.000 -0.050 0.000 0.795 357 A HN 0.462 nan 8.150 nan 0.000 0.458 358 L N 0.000 121.204 121.223 -0.032 0.000 2.949 358 L HA 0.000 4.351 4.340 0.019 0.000 0.249 358 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 358 L CB 0.000 42.050 42.059 -0.016 0.000 0.961 358 L HN 0.000 nan 8.230 nan 0.000 0.502