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 2v7i_1_A DATA FIRST_RESID 4 DATA SEQUENCE TLDRVGVFAA THAAVAASDP LQARALVLQL PGLNRNKDVP GIVGLLREFL DATA SEQUENCE PVRGLPSGWG FVEAAAAMRD IGFFLGSLKR HGHEPAEVVP GLEPVLLDLA DATA SEQUENCE RATNLPPRET LLHVTVWNPT AADAQRSYTG LPDEAHLLES VRISMAALEA DATA SEQUENCE AIALTVELFD VSLRSPEFAQ RSDELEAYLQ KMVESIVYAY RFISPQVFYD DATA SEQUENCE ELRPFYEPIR VGGQSYLGPG AVEMPLFVLE HVLWGSQSDD QTYREFKETY DATA SEQUENCE LPYVLPAYRA VYARFSGEPA LIDRALDEAR AVGTRDEHVR AGLTALERVF DATA SEQUENCE KVLLRFRAPH LKLAERAYEV XXXXXXXXXX XYAPSMLGEL LTLTYAARSR DATA SEQUENCE VRAALDES 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 0.000 174.662 174.700 -0.063 0.000 1.109 4 T CA 0.000 62.076 62.100 -0.040 0.000 1.349 4 T CB 0.000 68.830 68.868 -0.064 0.000 0.612 5 L N 4.944 126.088 121.223 -0.133 0.000 2.727 5 L HA 0.287 4.625 4.340 -0.003 0.000 0.237 5 L C 1.126 178.042 176.870 0.077 0.000 1.370 5 L CA 0.629 55.326 54.840 -0.238 0.000 1.248 5 L CB -0.921 40.848 42.059 -0.483 0.000 1.556 5 L HN 0.519 nan 8.230 nan 0.000 0.420 6 D N -0.580 119.900 120.400 0.132 0.000 2.378 6 D HA -0.187 4.451 4.640 -0.003 0.000 0.222 6 D C 1.638 178.035 176.300 0.162 0.000 0.980 6 D CA 0.631 54.703 54.000 0.119 0.000 0.907 6 D CB 0.083 40.927 40.800 0.073 0.000 0.899 6 D HN 0.280 nan 8.370 nan 0.000 0.527 7 R N 0.025 120.697 120.500 0.286 0.000 2.276 7 R HA 0.084 4.423 4.340 -0.003 0.000 0.203 7 R C 1.963 178.447 176.300 0.307 0.000 1.017 7 R CA 0.110 56.347 56.100 0.229 0.000 1.010 7 R CB 0.086 30.459 30.300 0.121 0.000 0.900 7 R HN 0.108 nan 8.270 nan 0.000 0.469 8 V N 0.129 120.245 119.914 0.336 0.000 2.427 8 V HA -0.154 3.964 4.120 -0.003 0.000 0.248 8 V C 2.376 178.590 176.094 0.200 0.000 1.051 8 V CA 2.084 64.567 62.300 0.305 0.000 1.048 8 V CB -0.710 31.241 31.823 0.213 0.000 0.666 8 V HN 0.509 nan 8.190 nan 0.000 0.456 9 G N -0.406 108.458 108.800 0.107 0.000 2.513 9 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.219 9 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.219 9 G C 1.812 176.692 174.900 -0.032 0.000 1.160 9 G CA 1.383 46.504 45.100 0.034 0.000 0.767 9 G HN 0.401 nan 8.290 nan 0.000 0.571 10 V N -0.112 119.731 119.914 -0.118 0.000 2.358 10 V HA -0.056 4.063 4.120 -0.003 0.000 0.246 10 V C 2.586 178.487 176.094 -0.321 0.000 1.047 10 V CA 1.952 64.092 62.300 -0.266 0.000 1.035 10 V CB -0.464 31.115 31.823 -0.406 0.000 0.658 10 V HN 0.322 nan 8.190 nan 0.000 0.452 11 F N 1.124 121.004 119.950 -0.116 0.000 2.134 11 F HA -0.022 4.504 4.527 -0.002 0.000 0.299 11 F C 2.553 178.063 175.800 -0.482 0.000 1.097 11 F CA 1.592 59.445 58.000 -0.245 0.000 1.264 11 F CB -1.322 37.590 39.000 -0.147 0.000 1.001 11 F HN 0.226 nan 8.300 nan 0.000 0.479 12 A N 0.133 122.915 122.820 -0.064 0.000 1.940 12 A HA -0.114 4.205 4.320 -0.003 0.000 0.219 12 A C 2.410 179.982 177.584 -0.020 0.000 1.176 12 A CA 1.901 53.927 52.037 -0.018 0.000 0.631 12 A CB -1.303 17.744 19.000 0.080 0.000 0.814 12 A HN 0.322 nan 8.150 nan 0.000 0.446 13 A N -0.365 122.426 122.820 -0.049 0.000 1.930 13 A HA -0.063 4.255 4.320 -0.003 0.000 0.217 13 A C 2.432 179.998 177.584 -0.029 0.000 1.175 13 A CA 2.381 54.399 52.037 -0.032 0.000 0.627 13 A CB -1.312 17.655 19.000 -0.055 0.000 0.815 13 A HN 0.782 nan 8.150 nan 0.000 0.443 14 T N -2.349 112.159 114.554 -0.077 0.000 2.821 14 T HA -0.198 4.150 4.350 -0.003 0.000 0.267 14 T C 1.661 176.439 174.700 0.131 0.000 1.046 14 T CA 1.700 63.787 62.100 -0.022 0.000 1.139 14 T CB -0.828 68.015 68.868 -0.042 0.000 0.871 14 T HN 0.711 nan 8.240 nan 0.000 0.454 15 H N 1.478 120.686 119.070 0.230 0.000 2.353 15 H HA 0.219 4.774 4.556 -0.003 0.000 0.300 15 H C 2.824 178.283 175.328 0.218 0.000 1.090 15 H CA 0.750 57.019 56.048 0.368 0.000 1.327 15 H CB -0.270 29.694 29.762 0.336 0.000 1.383 15 H HN 0.533 nan 8.280 nan 0.000 0.508 16 A N 1.322 124.286 122.820 0.241 0.000 1.972 16 A HA -0.149 4.169 4.320 -0.003 0.000 0.219 16 A C 2.552 180.176 177.584 0.066 0.000 1.169 16 A CA 1.277 53.396 52.037 0.136 0.000 0.635 16 A CB -0.871 18.179 19.000 0.084 0.000 0.810 16 A HN 0.489 nan 8.150 nan 0.000 0.446 17 A N -0.421 122.419 122.820 0.034 0.000 1.908 17 A HA -0.056 4.262 4.320 -0.003 0.000 0.218 17 A C 2.215 179.756 177.584 -0.071 0.000 1.181 17 A CA 2.020 54.042 52.037 -0.025 0.000 0.627 17 A CB -0.903 18.073 19.000 -0.040 0.000 0.818 17 A HN 0.465 nan 8.150 nan 0.000 0.445 18 V N -0.376 119.470 119.914 -0.113 0.000 2.379 18 V HA -0.145 3.974 4.120 -0.003 0.000 0.245 18 V C 2.989 179.043 176.094 -0.067 0.000 1.044 18 V CA 1.628 63.793 62.300 -0.225 0.000 1.036 18 V CB -1.330 30.104 31.823 -0.648 0.000 0.664 18 V HN 0.591 nan 8.190 nan 0.000 0.453 19 A N 0.245 123.096 122.820 0.051 0.000 1.978 19 A HA -0.072 4.247 4.320 -0.003 0.000 0.220 19 A C 2.245 179.840 177.584 0.019 0.000 1.170 19 A CA 1.985 54.069 52.037 0.079 0.000 0.636 19 A CB -0.550 18.523 19.000 0.121 0.000 0.810 19 A HN 0.599 nan 8.150 nan 0.000 0.448 20 A N -1.172 121.645 122.820 -0.006 0.000 2.218 20 A HA 0.355 4.673 4.320 -0.003 0.000 0.209 20 A C 1.324 178.876 177.584 -0.052 0.000 1.168 20 A CA 0.755 52.778 52.037 -0.023 0.000 0.804 20 A CB -0.300 18.689 19.000 -0.018 0.000 0.834 20 A HN 0.396 nan 8.150 nan 0.000 0.482 21 S N 0.255 115.907 115.700 -0.080 0.000 2.525 21 S HA 0.424 4.893 4.470 -0.003 0.000 0.278 21 S C -0.908 173.618 174.600 -0.124 0.000 1.234 21 S CA -0.429 57.696 58.200 -0.124 0.000 1.058 21 S CB 0.835 63.921 63.200 -0.190 0.000 0.983 21 S HN 0.266 nan 8.310 nan 0.000 0.495 22 D N 4.185 124.511 120.400 -0.124 0.000 2.735 22 D HA 0.330 4.968 4.640 -0.003 0.000 0.291 22 D C -1.685 174.553 176.300 -0.102 0.000 1.205 22 D CA -1.378 52.554 54.000 -0.112 0.000 0.777 22 D CB 1.016 41.765 40.800 -0.085 0.000 1.234 22 D HN 0.325 nan 8.370 nan 0.000 0.520 23 P HA -0.036 nan 4.420 nan 0.000 0.221 23 P C 1.395 178.760 177.300 0.109 0.000 1.150 23 P CA 0.362 63.414 63.100 -0.079 0.000 0.800 23 P CB 0.541 31.979 31.700 -0.437 0.000 0.787 24 L N -0.879 120.390 121.223 0.076 0.000 2.599 24 L HA 0.098 4.436 4.340 -0.003 0.000 0.230 24 L C 0.697 177.593 176.870 0.043 0.000 1.141 24 L CA 0.163 55.095 54.840 0.153 0.000 0.877 24 L CB -1.002 41.193 42.059 0.226 0.000 1.009 24 L HN -0.015 nan 8.230 nan 0.000 0.447 25 Q N -0.295 119.497 119.800 -0.014 0.000 2.435 25 Q HA -0.270 4.069 4.340 -0.003 0.000 0.312 25 Q C 1.004 176.933 176.000 -0.118 0.000 1.333 25 Q CA 0.417 56.193 55.803 -0.045 0.000 0.883 25 Q CB -1.051 27.688 28.738 0.001 0.000 1.170 25 Q HN 0.615 nan 8.270 nan 0.000 0.443 26 A N -0.158 122.516 122.820 -0.243 0.000 2.348 26 A HA 0.054 4.372 4.320 -0.003 0.000 0.224 26 A C 1.689 179.070 177.584 -0.339 0.000 1.227 26 A CA 0.508 52.242 52.037 -0.506 0.000 0.885 26 A CB 0.015 18.369 19.000 -1.076 0.000 0.933 26 A HN 0.463 nan 8.150 nan 0.000 0.506 27 R N 0.436 120.817 120.500 -0.198 0.000 2.115 27 R HA -0.214 4.125 4.340 -0.003 0.000 0.239 27 R C 2.064 178.292 176.300 -0.120 0.000 1.133 27 R CA 2.054 58.068 56.100 -0.144 0.000 0.935 27 R CB -0.413 29.827 30.300 -0.100 0.000 0.853 27 R HN 0.382 nan 8.270 nan 0.000 0.433 28 A N 0.620 123.386 122.820 -0.090 0.000 2.015 28 A HA -0.037 4.282 4.320 -0.003 0.000 0.219 28 A C 2.197 179.760 177.584 -0.035 0.000 1.163 28 A CA 0.990 52.994 52.037 -0.055 0.000 0.646 28 A CB -0.294 18.685 19.000 -0.034 0.000 0.806 28 A HN 0.379 nan 8.150 nan 0.000 0.448 29 L N -0.683 120.512 121.223 -0.046 0.000 2.068 29 L HA -0.105 4.234 4.340 -0.003 0.000 0.204 29 L C 2.452 179.384 176.870 0.104 0.000 1.076 29 L CA 0.949 55.813 54.840 0.040 0.000 0.753 29 L CB -0.595 41.494 42.059 0.050 0.000 0.910 29 L HN 0.225 nan 8.230 nan 0.000 0.439 30 V N 0.210 120.127 119.914 0.005 0.000 2.469 30 V HA -0.281 3.837 4.120 -0.003 0.000 0.251 30 V C 2.372 178.414 176.094 -0.086 0.000 1.064 30 V CA 1.435 63.760 62.300 0.042 0.000 1.066 30 V CB -0.588 31.205 31.823 -0.051 0.000 0.667 30 V HN 0.377 nan 8.190 nan 0.000 0.461 31 L N -0.308 120.858 121.223 -0.095 0.000 2.353 31 L HA -0.206 4.132 4.340 -0.003 0.000 0.220 31 L C 2.518 179.346 176.870 -0.071 0.000 1.133 31 L CA 1.322 56.097 54.840 -0.109 0.000 0.798 31 L CB -0.472 41.534 42.059 -0.088 0.000 0.922 31 L HN 0.443 nan 8.230 nan 0.000 0.445 32 Q N -0.885 118.906 119.800 -0.016 0.000 2.432 32 Q HA -0.110 4.228 4.340 -0.003 0.000 0.205 32 Q C 2.023 178.025 176.000 0.003 0.000 0.945 32 Q CA 0.249 56.060 55.803 0.013 0.000 0.924 32 Q CB 0.114 28.890 28.738 0.063 0.000 1.016 32 Q HN 0.327 nan 8.270 nan 0.000 0.503 33 L N 1.780 122.971 121.223 -0.052 0.000 2.012 33 L HA -0.099 4.240 4.340 -0.003 0.000 0.210 33 L C -0.962 175.855 176.870 -0.088 0.000 1.073 33 L CA 2.031 56.792 54.840 -0.131 0.000 0.748 33 L CB -1.167 40.651 42.059 -0.403 0.000 0.891 33 L HN 0.018 nan 8.230 nan 0.000 0.431 34 P HA -0.160 nan 4.420 nan 0.000 0.216 34 P C 1.634 178.926 177.300 -0.013 0.000 1.157 34 P CA 2.013 65.066 63.100 -0.078 0.000 0.880 34 P CB -0.445 31.192 31.700 -0.104 0.000 0.791 35 G N -0.416 108.378 108.800 -0.010 0.000 2.421 35 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.216 35 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.216 35 G C 1.484 176.403 174.900 0.032 0.000 1.171 35 G CA 0.615 45.722 45.100 0.012 0.000 0.775 35 G HN 0.228 nan 8.290 nan 0.000 0.543 36 L N 0.389 121.636 121.223 0.039 0.000 2.083 36 L HA -0.073 4.266 4.340 -0.003 0.000 0.209 36 L C 2.731 179.645 176.870 0.074 0.000 1.083 36 L CA 0.791 55.660 54.840 0.050 0.000 0.752 36 L CB -0.500 41.600 42.059 0.068 0.000 0.899 36 L HN 0.126 nan 8.230 nan 0.000 0.433 37 N N 0.420 119.206 118.700 0.144 0.000 2.120 37 N HA -0.197 4.541 4.740 -0.003 0.000 0.188 37 N C 1.951 177.615 175.510 0.255 0.000 1.024 37 N CA 1.223 54.464 53.050 0.318 0.000 0.852 37 N CB -0.236 38.482 38.487 0.385 0.000 1.003 37 N HN 0.245 nan 8.380 nan 0.000 0.424 38 R N 0.825 121.411 120.500 0.144 0.000 2.091 38 R HA 0.004 4.342 4.340 -0.003 0.000 0.238 38 R C 0.927 177.273 176.300 0.076 0.000 1.136 38 R CA 1.247 57.409 56.100 0.103 0.000 0.959 38 R CB -0.002 30.334 30.300 0.058 0.000 0.856 38 R HN 0.198 nan 8.270 nan 0.000 0.437 39 N N 0.939 119.669 118.700 0.049 0.000 2.521 39 N HA -0.044 4.695 4.740 -0.003 0.000 0.188 39 N C -0.424 175.076 175.510 -0.017 0.000 1.146 39 N CA 0.545 53.605 53.050 0.017 0.000 0.893 39 N CB 0.209 38.700 38.487 0.008 0.000 0.975 39 N HN 0.138 nan 8.380 nan 0.000 0.451 40 K N 0.568 120.948 120.400 -0.034 0.000 3.156 40 K HA -0.195 4.123 4.320 -0.003 0.000 0.266 40 K C -0.718 175.719 176.600 -0.273 0.000 0.966 40 K CA 0.491 56.636 56.287 -0.236 0.000 0.719 40 K CB -1.139 31.325 32.500 -0.061 0.000 1.333 40 K HN 0.167 nan 8.250 nan 0.000 0.468 41 D N 0.724 121.004 120.400 -0.200 0.000 2.524 41 D HA 0.156 4.794 4.640 -0.003 0.000 0.222 41 D C 0.984 177.220 176.300 -0.106 0.000 1.142 41 D CA -0.353 53.583 54.000 -0.107 0.000 0.973 41 D CB 0.643 41.421 40.800 -0.037 0.000 1.025 41 D HN -0.024 nan 8.370 nan 0.000 0.519 42 V N 4.393 124.228 119.914 -0.133 0.000 2.295 42 V HA -0.133 3.986 4.120 -0.003 0.000 0.246 42 V C -0.646 175.420 176.094 -0.047 0.000 1.049 42 V CA 1.440 63.688 62.300 -0.087 0.000 1.024 42 V CB -1.171 30.595 31.823 -0.095 0.000 0.648 42 V HN 0.452 nan 8.190 nan 0.000 0.447 43 P HA -0.114 nan 4.420 nan 0.000 0.216 43 P C 1.723 179.023 177.300 -0.000 0.000 1.150 43 P CA 1.836 64.916 63.100 -0.033 0.000 0.837 43 P CB -0.328 31.354 31.700 -0.031 0.000 0.786 44 G N -0.366 108.441 108.800 0.012 0.000 2.418 44 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.217 44 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.217 44 G C 1.524 176.483 174.900 0.099 0.000 1.158 44 G CA 0.535 45.661 45.100 0.044 0.000 0.771 44 G HN 0.231 nan 8.290 nan 0.000 0.545 45 I N 0.287 120.929 120.570 0.121 0.000 2.179 45 I HA -0.163 4.006 4.170 -0.003 0.000 0.242 45 I C 2.790 179.061 176.117 0.256 0.000 1.088 45 I CA 0.571 62.024 61.300 0.256 0.000 1.357 45 I CB -0.264 37.880 38.000 0.240 0.000 1.051 45 I HN 0.029 nan 8.210 nan 0.000 0.409 46 V N 1.001 120.985 119.914 0.117 0.000 2.295 46 V HA -0.232 3.886 4.120 -0.003 0.000 0.246 46 V C 2.619 178.697 176.094 -0.026 0.000 1.049 46 V CA 2.210 64.528 62.300 0.031 0.000 1.024 46 V CB -1.532 30.286 31.823 -0.009 0.000 0.648 46 V HN 0.587 nan 8.190 nan 0.000 0.447 47 G N -0.082 108.717 108.800 -0.000 0.000 2.476 47 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.218 47 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.218 47 G C 1.587 176.477 174.900 -0.016 0.000 1.164 47 G CA 1.352 46.445 45.100 -0.012 0.000 0.768 47 G HN 0.431 nan 8.290 nan 0.000 0.560 48 L N 0.092 121.347 121.223 0.054 0.000 2.017 48 L HA 0.070 4.408 4.340 -0.003 0.000 0.208 48 L C 2.555 179.345 176.870 -0.133 0.000 1.073 48 L CA 1.598 56.502 54.840 0.107 0.000 0.745 48 L CB -0.663 41.602 42.059 0.344 0.000 0.894 48 L HN 0.208 nan 8.230 nan 0.000 0.432 49 L N -0.104 120.838 121.223 -0.469 0.000 2.012 49 L HA -0.202 4.136 4.340 -0.003 0.000 0.210 49 L C 2.606 178.981 176.870 -0.825 0.000 1.073 49 L CA 1.782 55.957 54.840 -1.109 0.000 0.748 49 L CB -0.656 40.849 42.059 -0.924 0.000 0.891 49 L HN 0.268 nan 8.230 nan 0.000 0.431 50 R N -0.449 119.805 120.500 -0.409 0.000 2.237 50 R HA -0.099 4.239 4.340 -0.003 0.000 0.219 50 R C 1.951 178.130 176.300 -0.201 0.000 1.080 50 R CA 0.973 56.905 56.100 -0.280 0.000 0.995 50 R CB -0.304 29.899 30.300 -0.161 0.000 0.875 50 R HN 0.569 nan 8.270 nan 0.000 0.462 51 E N 0.149 120.261 120.200 -0.147 0.000 2.204 51 E HA -0.180 4.168 4.350 -0.003 0.000 0.195 51 E C 1.025 177.667 176.600 0.071 0.000 0.990 51 E CA 1.350 57.749 56.400 -0.003 0.000 0.821 51 E CB 0.074 29.828 29.700 0.090 0.000 0.750 51 E HN 0.490 nan 8.360 nan 0.000 0.477 52 F N -1.586 118.314 119.950 -0.083 0.000 2.831 52 F HA 0.280 4.806 4.527 -0.003 0.000 0.334 52 F C 0.236 176.007 175.800 -0.047 0.000 1.071 52 F CA -0.857 57.112 58.000 -0.053 0.000 1.172 52 F CB 0.034 39.011 39.000 -0.038 0.000 1.054 52 F HN -0.227 nan 8.300 nan 0.000 0.572 53 L N 5.053 125.978 121.223 -0.497 0.000 2.513 53 L HA 0.391 4.730 4.340 -0.003 0.000 0.272 53 L C -2.336 174.468 176.870 -0.110 0.000 1.187 53 L CA -1.813 52.830 54.840 -0.329 0.000 0.895 53 L CB -0.184 41.639 42.059 -0.393 0.000 1.147 53 L HN -0.091 nan 8.230 nan 0.000 0.483 54 P HA 0.022 nan 4.420 nan 0.000 0.265 54 P C 0.258 177.521 177.300 -0.061 0.000 1.193 54 P CA -0.012 63.069 63.100 -0.031 0.000 0.765 54 P CB 0.682 32.363 31.700 -0.031 0.000 0.823 55 V N 0.365 120.242 119.914 -0.062 0.000 3.556 55 V HA 0.296 4.414 4.120 -0.003 0.000 0.287 55 V C 1.016 177.073 176.094 -0.061 0.000 1.422 55 V CA 0.371 62.635 62.300 -0.061 0.000 1.038 55 V CB -0.320 31.470 31.823 -0.056 0.000 0.850 55 V HN 0.335 nan 8.190 nan 0.000 0.437 56 R N 1.615 122.071 120.500 -0.073 0.000 2.577 56 R HA 0.566 4.905 4.340 -0.003 0.000 0.344 56 R C 0.893 177.134 176.300 -0.098 0.000 1.037 56 R CA 0.459 56.513 56.100 -0.077 0.000 1.102 56 R CB 0.945 31.200 30.300 -0.074 0.000 1.313 56 R HN 0.726 nan 8.270 nan 0.000 0.561 57 G N 1.423 110.159 108.800 -0.107 0.000 2.746 57 G HA2 -0.230 3.728 3.960 -0.003 0.000 0.685 57 G HA3 -0.230 3.728 3.960 -0.003 0.000 0.685 57 G C -0.487 174.280 174.900 -0.222 0.000 1.350 57 G CA -1.041 43.980 45.100 -0.131 0.000 0.837 57 G HN 0.095 nan 8.290 nan 0.000 0.564 58 L N 1.151 122.212 121.223 -0.270 0.000 2.416 58 L HA 0.332 4.670 4.340 -0.003 0.000 0.272 58 L C -1.476 175.028 176.870 -0.609 0.000 1.161 58 L CA -1.517 53.005 54.840 -0.531 0.000 0.845 58 L CB 0.304 42.137 42.059 -0.377 0.000 1.119 58 L HN 0.359 nan 8.230 nan 0.000 0.464 59 P HA -0.043 nan 4.420 nan 0.000 0.262 59 P C 0.658 177.669 177.300 -0.482 0.000 1.182 59 P CA 0.088 62.761 63.100 -0.713 0.000 0.761 59 P CB 0.680 31.814 31.700 -0.943 0.000 0.795 60 S N 1.872 117.432 115.700 -0.233 0.000 2.447 60 S HA -0.083 4.385 4.470 -0.003 0.000 0.233 60 S C 1.981 176.563 174.600 -0.031 0.000 1.006 60 S CA 1.002 59.135 58.200 -0.112 0.000 0.957 60 S CB -1.026 62.130 63.200 -0.074 0.000 0.773 60 S HN 0.540 nan 8.310 nan 0.000 0.507 61 G N -0.029 108.767 108.800 -0.007 0.000 2.650 61 G HA2 0.066 4.025 3.960 -0.003 0.000 0.214 61 G HA3 0.066 4.025 3.960 -0.003 0.000 0.214 61 G C 0.021 175.054 174.900 0.223 0.000 1.136 61 G CA -0.496 44.659 45.100 0.092 0.000 0.789 61 G HN 0.410 nan 8.290 nan 0.000 0.536 62 W N 0.991 122.284 121.300 -0.012 0.000 2.193 62 W HA 0.508 5.166 4.660 -0.002 0.000 0.338 62 W C 0.861 177.374 176.519 -0.011 0.000 1.310 62 W CA -0.577 56.758 57.345 -0.018 0.000 1.243 62 W CB 0.437 29.881 29.460 -0.026 0.000 1.165 62 W HN 0.089 nan 8.180 nan 0.000 0.566 63 G N 1.495 110.397 108.800 0.170 0.000 2.971 63 G HA2 0.298 4.257 3.960 -0.003 0.000 0.235 63 G HA3 0.298 4.257 3.960 -0.003 0.000 0.235 63 G C 0.104 175.046 174.900 0.070 0.000 1.351 63 G CA -0.648 44.519 45.100 0.112 0.000 1.039 63 G HN 0.425 nan 8.290 nan 0.000 0.563 64 F N -0.214 119.702 119.950 -0.055 0.000 2.091 64 F HA -0.181 4.344 4.527 -0.003 0.000 0.299 64 F C 2.639 178.310 175.800 -0.214 0.000 1.103 64 F CA 2.185 60.120 58.000 -0.109 0.000 1.228 64 F CB -0.158 38.771 39.000 -0.120 0.000 0.984 64 F HN 0.036 nan 8.300 nan 0.000 0.477 65 V N 0.370 120.248 119.914 -0.061 0.000 2.287 65 V HA -0.318 3.800 4.120 -0.003 0.000 0.248 65 V C 2.250 178.089 176.094 -0.426 0.000 1.053 65 V CA 2.383 64.541 62.300 -0.238 0.000 1.027 65 V CB -0.714 31.027 31.823 -0.135 0.000 0.646 65 V HN 0.289 nan 8.190 nan 0.000 0.447 66 E N 0.468 120.395 120.200 -0.455 0.000 2.072 66 E HA -0.117 4.231 4.350 -0.003 0.000 0.191 66 E C 2.241 178.319 176.600 -0.870 0.000 0.985 66 E CA 1.459 57.374 56.400 -0.808 0.000 0.801 66 E CB -0.663 28.300 29.700 -1.228 0.000 0.750 66 E HN 0.572 nan 8.360 nan 0.000 0.452 67 A N 0.939 123.446 122.820 -0.522 0.000 1.902 67 A HA -0.078 4.241 4.320 -0.003 0.000 0.217 67 A C 2.353 179.750 177.584 -0.312 0.000 1.181 67 A CA 1.850 53.729 52.037 -0.263 0.000 0.623 67 A CB -0.824 18.134 19.000 -0.070 0.000 0.818 67 A HN 0.282 nan 8.150 nan 0.000 0.443 68 A N -0.172 122.323 122.820 -0.543 0.000 1.898 68 A HA 0.196 4.514 4.320 -0.003 0.000 0.216 68 A C 2.493 179.988 177.584 -0.148 0.000 1.181 68 A CA 1.969 53.737 52.037 -0.448 0.000 0.620 68 A CB -0.964 17.346 19.000 -1.151 0.000 0.819 68 A HN 1.020 nan 8.150 nan 0.000 0.442 69 A N -0.091 122.561 122.820 -0.280 0.000 1.902 69 A HA 0.173 4.491 4.320 -0.003 0.000 0.217 69 A C 2.499 180.034 177.584 -0.082 0.000 1.181 69 A CA 2.035 53.979 52.037 -0.155 0.000 0.623 69 A CB -0.995 17.854 19.000 -0.252 0.000 0.818 69 A HN 1.025 nan 8.150 nan 0.000 0.443 70 A N -0.894 121.818 122.820 -0.180 0.000 1.902 70 A HA -0.135 4.184 4.320 -0.003 0.000 0.217 70 A C 2.187 179.832 177.584 0.101 0.000 1.181 70 A CA 2.301 54.328 52.037 -0.017 0.000 0.623 70 A CB -0.513 18.495 19.000 0.014 0.000 0.818 70 A HN 0.573 nan 8.150 nan 0.000 0.443 71 M N -0.022 119.617 119.600 0.066 0.000 2.117 71 M HA -0.136 4.342 4.480 -0.003 0.000 0.262 71 M C 2.100 178.431 176.300 0.051 0.000 1.065 71 M CA 2.088 57.409 55.300 0.034 0.000 1.114 71 M CB -0.519 32.052 32.600 -0.048 0.000 1.361 71 M HN 0.486 nan 8.290 nan 0.000 0.408 72 R N -0.173 120.447 120.500 0.201 0.000 2.094 72 R HA -0.208 4.130 4.340 -0.003 0.000 0.239 72 R C 1.502 177.992 176.300 0.317 0.000 1.137 72 R CA 2.384 58.647 56.100 0.271 0.000 0.943 72 R CB -0.681 29.838 30.300 0.364 0.000 0.850 72 R HN 0.389 nan 8.270 nan 0.000 0.433 73 D N 0.219 120.795 120.400 0.293 0.000 2.123 73 D HA -0.088 4.551 4.640 -0.003 0.000 0.200 73 D C 2.013 178.673 176.300 0.600 0.000 0.976 73 D CA 1.164 55.378 54.000 0.356 0.000 0.831 73 D CB -0.140 40.727 40.800 0.112 0.000 0.974 73 D HN 0.348 nan 8.370 nan 0.000 0.469 74 I N 0.998 121.862 120.570 0.491 0.000 2.286 74 I HA -0.141 4.028 4.170 -0.003 0.000 0.248 74 I C 2.515 178.875 176.117 0.405 0.000 1.115 74 I CA 1.167 62.710 61.300 0.405 0.000 1.392 74 I CB -0.402 37.712 38.000 0.190 0.000 1.065 74 I HN 0.005 nan 8.210 nan 0.000 0.418 75 G N 0.729 109.680 108.800 0.252 0.000 2.442 75 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.219 75 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.219 75 G C 1.498 176.459 174.900 0.101 0.000 1.141 75 G CA 0.588 45.743 45.100 0.092 0.000 0.763 75 G HN 0.268 nan 8.290 nan 0.000 0.554 76 F N -0.049 119.975 119.950 0.124 0.000 2.269 76 F HA 0.097 4.622 4.527 -0.004 0.000 0.301 76 F C 2.178 178.000 175.800 0.038 0.000 1.082 76 F CA 0.696 58.615 58.000 -0.134 0.000 1.360 76 F CB -0.281 38.454 39.000 -0.441 0.000 1.041 76 F HN 0.097 nan 8.300 nan 0.000 0.512 77 F N -0.491 119.647 119.950 0.314 0.000 2.367 77 F HA -0.094 4.432 4.527 -0.002 0.000 0.298 77 F C 2.020 177.968 175.800 0.246 0.000 1.094 77 F CA 0.626 58.788 58.000 0.270 0.000 1.409 77 F CB -0.573 38.543 39.000 0.193 0.000 1.064 77 F HN -0.123 nan 8.300 nan 0.000 0.528 78 L N -0.610 120.837 121.223 0.373 0.000 1.988 78 L HA -0.105 4.233 4.340 -0.003 0.000 0.207 78 L C 2.801 179.821 176.870 0.250 0.000 1.071 78 L CA 1.586 56.581 54.840 0.259 0.000 0.744 78 L CB -1.599 40.572 42.059 0.186 0.000 0.893 78 L HN 0.205 nan 8.230 nan 0.000 0.433 79 G N -0.867 108.125 108.800 0.319 0.000 2.432 79 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.219 79 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.219 79 G C 1.737 176.778 174.900 0.234 0.000 1.135 79 G CA 0.862 46.091 45.100 0.215 0.000 0.767 79 G HN 0.311 nan 8.290 nan 0.000 0.550 80 S N 0.458 116.427 115.700 0.449 0.000 2.348 80 S HA -0.047 4.421 4.470 -0.003 0.000 0.221 80 S C 2.310 177.066 174.600 0.261 0.000 1.033 80 S CA 0.966 59.437 58.200 0.452 0.000 1.010 80 S CB -0.325 63.129 63.200 0.423 0.000 0.891 80 S HN 0.317 nan 8.310 nan 0.000 0.442 81 L N 1.024 122.422 121.223 0.292 0.000 2.042 81 L HA -0.152 4.186 4.340 -0.003 0.000 0.210 81 L C 2.509 179.488 176.870 0.181 0.000 1.076 81 L CA 1.272 56.283 54.840 0.286 0.000 0.749 81 L CB -0.405 41.807 42.059 0.254 0.000 0.893 81 L HN 0.200 nan 8.230 nan 0.000 0.432 82 K N 0.242 120.690 120.400 0.081 0.000 2.147 82 K HA -0.176 4.142 4.320 -0.003 0.000 0.205 82 K C 2.250 178.745 176.600 -0.176 0.000 1.049 82 K CA 1.121 57.396 56.287 -0.020 0.000 0.936 82 K CB -0.225 32.265 32.500 -0.016 0.000 0.722 82 K HN -0.023 nan 8.250 nan 0.000 0.446 83 R N 0.083 120.379 120.500 -0.340 0.000 2.127 83 R HA -0.133 4.205 4.340 -0.003 0.000 0.238 83 R C 0.775 176.709 176.300 -0.608 0.000 1.134 83 R CA 1.531 57.213 56.100 -0.696 0.000 0.975 83 R CB -0.341 29.130 30.300 -1.383 0.000 0.865 83 R HN 0.461 nan 8.270 nan 0.000 0.447 84 H N -1.321 117.647 119.070 -0.171 0.000 2.524 84 H HA 0.178 4.733 4.556 -0.002 0.000 0.280 84 H C 0.870 176.068 175.328 -0.217 0.000 1.018 84 H CA 0.758 56.742 56.048 -0.106 0.000 1.165 84 H CB 0.491 30.287 29.762 0.057 0.000 1.411 84 H HN 0.515 nan 8.280 nan 0.000 0.569 85 G N 1.109 109.789 108.800 -0.201 0.000 2.141 85 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.231 85 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.231 85 G C -0.260 174.367 174.900 -0.454 0.000 0.984 85 G CA -0.387 44.511 45.100 -0.337 0.000 0.660 85 G HN 0.474 nan 8.290 nan 0.000 0.525 86 H N 0.375 119.460 119.070 0.024 0.000 2.538 86 H HA 0.400 4.954 4.556 -0.003 0.000 0.353 86 H C -0.443 174.907 175.328 0.038 0.000 1.109 86 H CA -0.750 55.320 56.048 0.036 0.000 1.192 86 H CB 1.512 31.308 29.762 0.057 0.000 1.555 86 H HN 0.164 nan 8.280 nan 0.000 0.518 87 E N 3.974 124.262 120.200 0.148 0.000 2.265 87 E HA 0.063 4.412 4.350 -0.003 0.000 0.272 87 E C -1.573 175.097 176.600 0.117 0.000 1.067 87 E CA -1.787 54.677 56.400 0.107 0.000 0.900 87 E CB 1.282 31.028 29.700 0.077 0.000 1.017 87 E HN 0.434 nan 8.360 nan 0.000 0.431 88 P HA -0.186 nan 4.420 nan 0.000 0.215 88 P C 1.073 178.415 177.300 0.070 0.000 1.153 88 P CA 1.488 64.653 63.100 0.107 0.000 0.853 88 P CB 0.224 31.997 31.700 0.122 0.000 0.788 89 A N 0.090 122.949 122.820 0.065 0.000 1.978 89 A HA -0.237 4.081 4.320 -0.003 0.000 0.220 89 A C 2.083 179.688 177.584 0.036 0.000 1.170 89 A CA 1.718 53.782 52.037 0.045 0.000 0.636 89 A CB -1.139 17.891 19.000 0.050 0.000 0.810 89 A HN 0.249 nan 8.150 nan 0.000 0.448 90 E N -0.622 119.606 120.200 0.046 0.000 2.230 90 E HA -0.031 4.317 4.350 -0.003 0.000 0.192 90 E C 1.662 178.277 176.600 0.025 0.000 0.987 90 E CA 1.117 57.541 56.400 0.038 0.000 0.841 90 E CB 0.016 29.747 29.700 0.053 0.000 0.783 90 E HN 0.639 nan 8.360 nan 0.000 0.481 91 V N -2.170 117.758 119.914 0.023 0.000 3.643 91 V HA 0.175 4.294 4.120 -0.003 0.000 0.280 91 V C 0.563 176.644 176.094 -0.021 0.000 1.351 91 V CA -0.285 62.007 62.300 -0.013 0.000 1.073 91 V CB 0.626 32.417 31.823 -0.054 0.000 0.863 91 V HN -0.147 nan 8.190 nan 0.000 0.436 92 V N 3.965 123.873 119.914 -0.009 0.000 2.305 92 V HA 0.441 4.559 4.120 -0.003 0.000 0.275 92 V C -2.442 173.634 176.094 -0.030 0.000 1.020 92 V CA -1.747 60.536 62.300 -0.028 0.000 0.811 92 V CB 1.222 33.026 31.823 -0.032 0.000 1.031 92 V HN 0.286 nan 8.190 nan 0.000 0.439 93 P HA 0.141 nan 4.420 nan 0.000 0.264 93 P C 1.039 178.315 177.300 -0.040 0.000 1.193 93 P CA 1.291 64.372 63.100 -0.031 0.000 0.763 93 P CB 0.962 32.642 31.700 -0.033 0.000 0.810 94 G N 2.234 111.015 108.800 -0.031 0.000 2.179 94 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.260 94 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.260 94 G C 0.572 175.449 174.900 -0.038 0.000 0.977 94 G CA 0.319 45.398 45.100 -0.036 0.000 0.641 94 G HN 0.559 nan 8.290 nan 0.000 0.533 95 L N 0.899 122.100 121.223 -0.036 0.000 2.072 95 L HA 0.284 4.623 4.340 -0.003 0.000 0.205 95 L C 2.409 179.270 176.870 -0.015 0.000 1.079 95 L CA 2.974 57.794 54.840 -0.034 0.000 0.752 95 L CB -0.532 41.511 42.059 -0.027 0.000 0.906 95 L HN 0.458 nan 8.230 nan 0.000 0.436 96 E N -0.417 119.780 120.200 -0.004 0.000 2.058 96 E HA -0.213 4.135 4.350 -0.003 0.000 0.194 96 E C -0.479 176.120 176.600 -0.002 0.000 0.997 96 E CA 1.718 58.121 56.400 0.005 0.000 0.801 96 E CB -0.835 28.874 29.700 0.015 0.000 0.746 96 E HN 0.383 nan 8.360 nan 0.000 0.450 97 P HA -0.161 nan 4.420 nan 0.000 0.216 97 P C 1.410 178.703 177.300 -0.012 0.000 1.150 97 P CA 1.082 64.176 63.100 -0.010 0.000 0.837 97 P CB 0.054 31.744 31.700 -0.017 0.000 0.786 98 V N -0.497 119.408 119.914 -0.014 0.000 2.307 98 V HA -0.227 3.891 4.120 -0.003 0.000 0.245 98 V C 2.467 178.565 176.094 0.006 0.000 1.045 98 V CA 1.626 63.923 62.300 -0.005 0.000 1.024 98 V CB -1.310 30.508 31.823 -0.009 0.000 0.651 98 V HN 0.064 nan 8.190 nan 0.000 0.449 99 L N -0.647 120.574 121.223 -0.003 0.000 2.042 99 L HA -0.224 4.115 4.340 -0.003 0.000 0.210 99 L C 2.434 179.287 176.870 -0.028 0.000 1.076 99 L CA 1.618 56.448 54.840 -0.016 0.000 0.749 99 L CB -0.609 41.435 42.059 -0.025 0.000 0.893 99 L HN 0.313 nan 8.230 nan 0.000 0.432 100 L N -0.712 120.499 121.223 -0.019 0.000 2.093 100 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 100 L C 2.165 179.031 176.870 -0.007 0.000 1.085 100 L CA 0.932 55.762 54.840 -0.018 0.000 0.755 100 L CB -0.552 41.504 42.059 -0.004 0.000 0.904 100 L HN 0.235 nan 8.230 nan 0.000 0.435 101 D N 0.087 120.487 120.400 0.001 0.000 2.144 101 D HA -0.119 4.520 4.640 -0.003 0.000 0.200 101 D C 2.380 178.698 176.300 0.030 0.000 0.978 101 D CA 1.107 55.113 54.000 0.010 0.000 0.833 101 D CB -0.050 40.750 40.800 0.001 0.000 0.961 101 D HN 0.232 nan 8.370 nan 0.000 0.470 102 L N 0.350 121.595 121.223 0.035 0.000 2.109 102 L HA -0.061 4.277 4.340 -0.003 0.000 0.207 102 L C 2.443 179.325 176.870 0.020 0.000 1.086 102 L CA 0.832 55.702 54.840 0.050 0.000 0.760 102 L CB -0.317 41.774 42.059 0.053 0.000 0.910 102 L HN -0.031 nan 8.230 nan 0.000 0.437 103 A N 0.449 123.266 122.820 -0.004 0.000 1.902 103 A HA -0.263 4.056 4.320 -0.003 0.000 0.217 103 A C 2.420 180.014 177.584 0.016 0.000 1.181 103 A CA 1.934 53.962 52.037 -0.016 0.000 0.623 103 A CB -0.587 18.375 19.000 -0.065 0.000 0.818 103 A HN 0.392 nan 8.150 nan 0.000 0.443 104 R N -0.237 120.274 120.500 0.018 0.000 2.073 104 R HA -0.094 4.244 4.340 -0.003 0.000 0.234 104 R C 2.210 178.541 176.300 0.053 0.000 1.134 104 R CA 1.649 57.767 56.100 0.031 0.000 0.952 104 R CB -0.496 29.818 30.300 0.023 0.000 0.850 104 R HN 0.385 nan 8.270 nan 0.000 0.433 105 A N -0.072 122.782 122.820 0.056 0.000 2.019 105 A HA -0.130 4.189 4.320 -0.003 0.000 0.219 105 A C 2.022 179.662 177.584 0.094 0.000 1.164 105 A CA 1.907 53.989 52.037 0.075 0.000 0.644 105 A CB -0.524 18.527 19.000 0.084 0.000 0.805 105 A HN 0.683 nan 8.150 nan 0.000 0.449 106 T N -5.306 109.293 114.554 0.076 0.000 3.001 106 T HA 0.144 4.492 4.350 -0.003 0.000 0.251 106 T C 0.659 175.522 174.700 0.271 0.000 1.040 106 T CA 0.509 62.693 62.100 0.141 0.000 0.985 106 T CB -0.105 68.717 68.868 -0.076 0.000 1.011 106 T HN 0.362 nan 8.240 nan 0.000 0.509 107 N N 0.766 119.558 118.700 0.153 0.000 2.740 107 N HA -0.122 4.616 4.740 -0.003 0.000 0.248 107 N C -0.817 174.763 175.510 0.116 0.000 1.062 107 N CA 0.431 53.550 53.050 0.115 0.000 0.704 107 N CB -1.887 36.666 38.487 0.110 0.000 0.968 107 N HN 0.712 nan 8.380 nan 0.000 0.547 108 L N -1.039 120.245 121.223 0.101 0.000 2.322 108 L HA 0.683 5.022 4.340 -0.003 0.000 0.252 108 L C -1.949 174.900 176.870 -0.033 0.000 1.055 108 L CA -2.097 52.795 54.840 0.087 0.000 0.849 108 L CB 1.654 43.852 42.059 0.232 0.000 1.446 108 L HN -0.136 nan 8.230 nan 0.000 0.416 109 P HA 0.082 nan 4.420 nan 0.000 0.270 109 P C -2.432 174.657 177.300 -0.353 0.000 1.223 109 P CA -0.912 61.967 63.100 -0.368 0.000 0.785 109 P CB -0.073 31.340 31.700 -0.479 0.000 0.923 110 P HA 0.085 nan 4.420 nan 0.000 0.226 110 P C -0.363 176.776 177.300 -0.269 0.000 1.758 110 P CA 0.401 63.304 63.100 -0.329 0.000 0.896 110 P CB -0.149 31.377 31.700 -0.291 0.000 1.784 111 R N -1.305 119.054 120.500 -0.236 0.000 2.829 111 R HA 0.417 4.755 4.340 -0.003 0.000 0.267 111 R C -0.778 175.409 176.300 -0.188 0.000 1.051 111 R CA -0.984 55.038 56.100 -0.130 0.000 0.927 111 R CB 0.443 30.726 30.300 -0.029 0.000 1.292 111 R HN -0.168 nan 8.270 nan 0.000 0.445 112 E N 1.582 121.682 120.200 -0.167 0.000 2.354 112 E HA 0.184 4.533 4.350 -0.003 0.000 0.269 112 E C -0.781 175.806 176.600 -0.021 0.000 1.036 112 E CA -0.067 56.164 56.400 -0.282 0.000 0.876 112 E CB 1.368 30.936 29.700 -0.220 0.000 1.009 112 E HN 0.670 nan 8.360 nan 0.000 0.416 113 T N -0.042 114.614 114.554 0.169 0.000 2.927 113 T HA 0.263 4.611 4.350 -0.003 0.000 0.286 113 T C 1.089 175.883 174.700 0.157 0.000 1.040 113 T CA -0.681 61.579 62.100 0.265 0.000 1.010 113 T CB 0.986 70.070 68.868 0.360 0.000 1.177 113 T HN 0.361 nan 8.240 nan 0.000 0.546 114 L N 0.638 121.891 121.223 0.051 0.000 2.051 114 L HA -0.026 4.312 4.340 -0.003 0.000 0.214 114 L C 2.340 179.115 176.870 -0.159 0.000 1.076 114 L CA 1.735 56.547 54.840 -0.046 0.000 0.758 114 L CB -1.190 40.828 42.059 -0.068 0.000 0.890 114 L HN 0.804 nan 8.230 nan 0.000 0.433 115 L N -1.400 119.627 121.223 -0.327 0.000 2.012 115 L HA -0.290 4.048 4.340 -0.003 0.000 0.210 115 L C 2.512 178.973 176.870 -0.681 0.000 1.073 115 L CA 1.711 56.035 54.840 -0.861 0.000 0.748 115 L CB -0.866 40.247 42.059 -1.578 0.000 0.891 115 L HN 0.381 nan 8.230 nan 0.000 0.431 116 H N -1.038 117.906 119.070 -0.211 0.000 2.387 116 H HA -0.136 4.418 4.556 -0.003 0.000 0.299 116 H C 2.074 177.468 175.328 0.111 0.000 1.090 116 H CA 1.756 57.892 56.048 0.147 0.000 1.332 116 H CB -0.270 29.582 29.762 0.150 0.000 1.386 116 H HN 0.318 nan 8.280 nan 0.000 0.516 117 V N -1.636 118.354 119.914 0.127 0.000 3.406 117 V HA 0.033 4.152 4.120 -0.003 0.000 0.263 117 V C 1.622 177.822 176.094 0.176 0.000 1.172 117 V CA 1.302 63.707 62.300 0.175 0.000 1.140 117 V CB -0.197 31.653 31.823 0.045 0.000 0.784 117 V HN 0.585 nan 8.190 nan 0.000 0.467 118 T N -0.304 114.272 114.554 0.038 0.000 3.422 118 T HA 0.102 4.450 4.350 -0.003 0.000 0.192 118 T C 1.700 176.380 174.700 -0.034 0.000 0.857 118 T CA 1.317 63.413 62.100 -0.006 0.000 1.400 118 T CB -0.114 68.712 68.868 -0.070 0.000 1.864 118 T HN 0.622 nan 8.240 nan 0.000 0.415 119 V N -2.193 117.608 119.914 -0.188 0.000 2.809 119 V HA 0.113 4.232 4.120 -0.003 0.000 0.256 119 V C 1.837 177.997 176.094 0.111 0.000 1.080 119 V CA 0.629 62.826 62.300 -0.172 0.000 1.102 119 V CB -1.248 30.196 31.823 -0.631 0.000 0.705 119 V HN 0.621 nan 8.190 nan 0.000 0.475 120 W N 1.002 122.272 121.300 -0.049 0.000 3.353 120 W HA 0.443 5.102 4.660 -0.001 0.000 0.304 120 W C 0.661 177.201 176.519 0.036 0.000 1.273 120 W CA -1.064 56.282 57.345 0.002 0.000 1.773 120 W CB -1.113 28.321 29.460 -0.042 0.000 1.095 120 W HN 0.340 nan 8.180 nan 0.000 0.676 121 N N 1.892 120.732 118.700 0.233 0.000 2.408 121 N HA 0.266 5.004 4.740 -0.003 0.000 0.280 121 N C -2.610 172.960 175.510 0.100 0.000 1.002 121 N CA -2.302 50.850 53.050 0.171 0.000 0.907 121 N CB 1.988 40.587 38.487 0.188 0.000 1.161 121 N HN -0.296 nan 8.380 nan 0.000 0.488 122 P HA 0.066 nan 4.420 nan 0.000 0.270 122 P C 0.450 177.758 177.300 0.013 0.000 1.223 122 P CA 0.023 63.141 63.100 0.031 0.000 0.785 122 P CB 0.531 32.233 31.700 0.004 0.000 0.923 123 T N -2.501 112.060 114.554 0.012 0.000 3.051 123 T HA 0.230 4.578 4.350 -0.003 0.000 0.255 123 T C 0.996 175.688 174.700 -0.013 0.000 1.085 123 T CA 0.125 62.227 62.100 0.003 0.000 1.109 123 T CB -0.393 68.482 68.868 0.012 0.000 0.921 123 T HN 0.523 nan 8.240 nan 0.000 0.488 124 A N 1.101 123.911 122.820 -0.016 0.000 2.445 124 A HA 0.722 5.040 4.320 -0.003 0.000 0.242 124 A C 1.942 179.504 177.584 -0.037 0.000 1.075 124 A CA 0.119 52.142 52.037 -0.023 0.000 0.777 124 A CB -0.203 18.784 19.000 -0.021 0.000 1.013 124 A HN 0.591 nan 8.150 nan 0.000 0.493 125 A N 1.534 124.333 122.820 -0.036 0.000 1.986 125 A HA -0.164 4.154 4.320 -0.003 0.000 0.220 125 A C 1.416 178.968 177.584 -0.054 0.000 1.171 125 A CA 2.023 54.032 52.037 -0.046 0.000 0.640 125 A CB -0.485 18.493 19.000 -0.037 0.000 0.811 125 A HN 0.917 nan 8.150 nan 0.000 0.451 126 D N -1.585 118.788 120.400 -0.046 0.000 2.325 126 D HA 0.414 5.053 4.640 -0.003 0.000 0.225 126 D C 0.787 177.051 176.300 -0.060 0.000 1.096 126 D CA 0.873 54.843 54.000 -0.049 0.000 0.844 126 D CB 0.170 40.948 40.800 -0.037 0.000 0.925 126 D HN 0.355 nan 8.370 nan 0.000 0.513 127 A N -0.415 122.365 122.820 -0.067 0.000 2.167 127 A HA 0.090 4.409 4.320 -0.003 0.000 0.184 127 A C 0.927 178.452 177.584 -0.098 0.000 1.675 127 A CA -0.261 51.732 52.037 -0.074 0.000 1.215 127 A CB -0.183 18.787 19.000 -0.051 0.000 1.427 127 A HN 0.165 nan 8.150 nan 0.000 0.457 128 Q N 1.313 121.055 119.800 -0.097 0.000 2.255 128 Q HA 0.215 4.554 4.340 -0.003 0.000 0.280 128 Q C -0.561 175.301 176.000 -0.230 0.000 1.068 128 Q CA -0.002 55.729 55.803 -0.120 0.000 0.911 128 Q CB 0.312 28.995 28.738 -0.092 0.000 1.157 128 Q HN 0.334 nan 8.270 nan 0.000 0.380 129 R N 1.765 122.063 120.500 -0.337 0.000 2.490 129 R HA 0.364 4.702 4.340 -0.003 0.000 0.280 129 R C -0.673 175.038 176.300 -0.982 0.000 1.077 129 R CA 0.148 55.800 56.100 -0.747 0.000 1.065 129 R CB 1.321 31.049 30.300 -0.953 0.000 1.003 129 R HN 0.790 nan 8.270 nan 0.000 0.470 130 S N 0.392 115.440 115.700 -1.086 0.000 2.570 130 S HA 0.325 4.793 4.470 -0.003 0.000 0.270 130 S C -0.210 174.012 174.600 -0.630 0.000 1.149 130 S CA -0.862 56.916 58.200 -0.703 0.000 0.837 130 S CB 0.560 63.580 63.200 -0.300 0.000 1.124 130 S HN 0.498 nan 8.310 nan 0.000 0.465 131 Y N 1.204 121.401 120.300 -0.170 0.000 2.206 131 Y HA 0.030 4.578 4.550 -0.003 0.000 0.292 131 Y C 2.985 178.530 175.900 -0.592 0.000 1.123 131 Y CA 1.787 59.624 58.100 -0.439 0.000 1.142 131 Y CB -0.306 37.626 38.460 -0.881 0.000 1.006 131 Y HN 0.948 nan 8.280 nan 0.000 0.518 132 T N -5.578 108.791 114.554 -0.307 0.000 2.959 132 T HA 0.380 4.728 4.350 -0.003 0.000 0.254 132 T C 1.786 176.406 174.700 -0.132 0.000 1.003 132 T CA 0.440 62.392 62.100 -0.248 0.000 0.950 132 T CB 0.201 68.945 68.868 -0.208 0.000 1.090 132 T HN 0.408 nan 8.240 nan 0.000 0.503 133 G N 1.754 110.473 108.800 -0.136 0.000 2.189 133 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.267 133 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.267 133 G C -0.001 174.853 174.900 -0.077 0.000 0.975 133 G CA 0.467 45.503 45.100 -0.107 0.000 0.644 133 G HN 0.661 nan 8.290 nan 0.000 0.537 134 L N 0.268 121.452 121.223 -0.064 0.000 2.417 134 L HA 0.272 4.611 4.340 -0.003 0.000 0.268 134 L C -0.397 176.432 176.870 -0.069 0.000 1.158 134 L CA -1.829 52.986 54.840 -0.041 0.000 0.819 134 L CB 0.944 42.997 42.059 -0.010 0.000 1.112 134 L HN -0.110 nan 8.230 nan 0.000 0.458 135 P HA -0.139 nan 4.420 nan 0.000 0.216 135 P C 0.604 177.722 177.300 -0.304 0.000 1.150 135 P CA 1.165 64.132 63.100 -0.221 0.000 0.837 135 P CB 0.175 31.820 31.700 -0.092 0.000 0.786 136 D N -0.614 119.779 120.400 -0.011 0.000 2.178 136 D HA -0.182 4.456 4.640 -0.003 0.000 0.201 136 D C 1.981 178.374 176.300 0.155 0.000 0.980 136 D CA 0.967 55.060 54.000 0.155 0.000 0.842 136 D CB -0.400 40.520 40.800 0.199 0.000 0.948 136 D HN 0.351 nan 8.370 nan 0.000 0.472 137 E N 0.361 120.613 120.200 0.088 0.000 2.072 137 E HA -0.158 4.191 4.350 -0.003 0.000 0.191 137 E C 2.067 178.725 176.600 0.097 0.000 0.985 137 E CA 0.892 57.374 56.400 0.137 0.000 0.801 137 E CB -0.039 29.721 29.700 0.100 0.000 0.750 137 E HN 0.244 nan 8.360 nan 0.000 0.452 138 A N 1.024 123.822 122.820 -0.036 0.000 1.908 138 A HA -0.216 4.102 4.320 -0.003 0.000 0.218 138 A C 1.911 179.511 177.584 0.027 0.000 1.181 138 A CA 1.697 53.695 52.037 -0.064 0.000 0.627 138 A CB -0.854 18.038 19.000 -0.180 0.000 0.818 138 A HN 0.371 nan 8.150 nan 0.000 0.445 139 H N -1.081 118.080 119.070 0.152 0.000 2.387 139 H HA -0.083 4.472 4.556 -0.001 0.000 0.299 139 H C 2.028 177.528 175.328 0.287 0.000 1.090 139 H CA 1.612 57.807 56.048 0.245 0.000 1.332 139 H CB -0.638 29.262 29.762 0.230 0.000 1.386 139 H HN 0.425 nan 8.280 nan 0.000 0.516 140 L N 0.855 122.290 121.223 0.353 0.000 2.046 140 L HA -0.115 4.223 4.340 -0.003 0.000 0.208 140 L C 2.265 179.266 176.870 0.218 0.000 1.077 140 L CA 1.244 56.266 54.840 0.303 0.000 0.747 140 L CB -0.826 41.436 42.059 0.338 0.000 0.896 140 L HN 0.131 nan 8.230 nan 0.000 0.432 141 L N -0.639 120.693 121.223 0.181 0.000 2.012 141 L HA -0.218 4.121 4.340 -0.003 0.000 0.210 141 L C 2.589 179.502 176.870 0.072 0.000 1.073 141 L CA 1.720 56.630 54.840 0.116 0.000 0.748 141 L CB -0.808 41.312 42.059 0.102 0.000 0.891 141 L HN 0.356 nan 8.230 nan 0.000 0.431 142 E N 0.475 120.724 120.200 0.081 0.000 2.110 142 E HA -0.172 4.177 4.350 -0.003 0.000 0.193 142 E C 2.174 178.705 176.600 -0.115 0.000 0.988 142 E CA 1.702 58.082 56.400 -0.033 0.000 0.804 142 E CB -0.066 29.609 29.700 -0.042 0.000 0.745 142 E HN 0.254 nan 8.360 nan 0.000 0.458 143 S N -0.701 115.017 115.700 0.030 0.000 2.370 143 S HA -0.137 4.331 4.470 -0.003 0.000 0.226 143 S C 1.979 176.595 174.600 0.028 0.000 1.033 143 S CA 1.233 59.474 58.200 0.069 0.000 1.011 143 S CB -0.284 63.074 63.200 0.263 0.000 0.852 143 S HN 0.186 nan 8.310 nan 0.000 0.457 144 V N 1.768 121.700 119.914 0.031 0.000 2.379 144 V HA -0.106 4.013 4.120 -0.003 0.000 0.245 144 V C 2.344 178.412 176.094 -0.044 0.000 1.044 144 V CA 1.466 63.760 62.300 -0.009 0.000 1.036 144 V CB -0.593 31.220 31.823 -0.015 0.000 0.664 144 V HN 0.361 nan 8.190 nan 0.000 0.453 145 R N -0.180 120.294 120.500 -0.044 0.000 2.127 145 R HA -0.124 4.214 4.340 -0.003 0.000 0.238 145 R C 2.201 178.477 176.300 -0.040 0.000 1.134 145 R CA 1.544 57.621 56.100 -0.040 0.000 0.975 145 R CB -0.491 29.791 30.300 -0.031 0.000 0.865 145 R HN 0.446 nan 8.270 nan 0.000 0.447 146 I N 0.357 120.880 120.570 -0.078 0.000 2.264 146 I HA -0.295 3.874 4.170 -0.003 0.000 0.248 146 I C 2.076 178.170 176.117 -0.038 0.000 1.111 146 I CA 1.792 63.046 61.300 -0.077 0.000 1.382 146 I CB -0.125 37.806 38.000 -0.115 0.000 1.060 146 I HN 0.251 nan 8.210 nan 0.000 0.418 147 S N -1.289 114.387 115.700 -0.041 0.000 2.549 147 S HA 0.088 4.556 4.470 -0.003 0.000 0.225 147 S C 1.612 176.175 174.600 -0.062 0.000 1.039 147 S CA -0.299 57.871 58.200 -0.051 0.000 0.942 147 S CB -0.011 63.142 63.200 -0.078 0.000 0.881 147 S HN 0.206 nan 8.310 nan 0.000 0.503 148 M N 3.596 123.164 119.600 -0.053 0.000 2.065 148 M HA 0.142 4.620 4.480 -0.003 0.000 0.259 148 M C 2.148 178.448 176.300 0.001 0.000 1.069 148 M CA 2.092 57.355 55.300 -0.062 0.000 1.110 148 M CB -1.054 31.486 32.600 -0.100 0.000 1.328 148 M HN 0.417 nan 8.290 nan 0.000 0.405 149 A N -0.366 122.525 122.820 0.119 0.000 1.898 149 A HA 0.097 4.416 4.320 -0.003 0.000 0.216 149 A C 2.384 179.962 177.584 -0.009 0.000 1.181 149 A CA 1.985 54.100 52.037 0.132 0.000 0.620 149 A CB -1.477 17.656 19.000 0.220 0.000 0.819 149 A HN 0.681 nan 8.150 nan 0.000 0.442 150 A N -0.377 122.469 122.820 0.043 0.000 1.908 150 A HA -0.083 4.235 4.320 -0.003 0.000 0.218 150 A C 2.131 179.693 177.584 -0.036 0.000 1.181 150 A CA 1.813 53.917 52.037 0.112 0.000 0.627 150 A CB -0.608 18.447 19.000 0.092 0.000 0.818 150 A HN 0.757 nan 8.150 nan 0.000 0.445 151 L N 0.064 121.199 121.223 -0.146 0.000 2.093 151 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 151 L C 2.096 178.722 176.870 -0.406 0.000 1.085 151 L CA 2.364 57.052 54.840 -0.252 0.000 0.755 151 L CB -0.662 41.237 42.059 -0.266 0.000 0.904 151 L HN 0.520 nan 8.230 nan 0.000 0.435 152 E N -0.302 119.595 120.200 -0.504 0.000 2.077 152 E HA -0.200 4.149 4.350 -0.003 0.000 0.193 152 E C 2.193 178.200 176.600 -0.989 0.000 0.989 152 E CA 1.093 57.006 56.400 -0.812 0.000 0.800 152 E CB -0.317 28.807 29.700 -0.960 0.000 0.746 152 E HN 0.664 nan 8.360 nan 0.000 0.452 153 A N 1.569 123.858 122.820 -0.886 0.000 1.902 153 A HA -0.140 4.178 4.320 -0.003 0.000 0.217 153 A C 2.411 179.701 177.584 -0.491 0.000 1.181 153 A CA 1.713 53.426 52.037 -0.540 0.000 0.623 153 A CB -0.663 18.086 19.000 -0.418 0.000 0.818 153 A HN 0.297 nan 8.150 nan 0.000 0.443 154 A N -0.141 122.423 122.820 -0.426 0.000 1.933 154 A HA -0.086 4.233 4.320 -0.003 0.000 0.218 154 A C 2.104 179.508 177.584 -0.300 0.000 1.175 154 A CA 1.515 53.363 52.037 -0.316 0.000 0.628 154 A CB -0.604 18.276 19.000 -0.201 0.000 0.814 154 A HN 0.516 nan 8.150 nan 0.000 0.444 155 I N -0.306 120.050 120.570 -0.357 0.000 2.179 155 I HA -0.285 3.883 4.170 -0.003 0.000 0.242 155 I C 2.997 178.985 176.117 -0.216 0.000 1.088 155 I CA 1.038 62.138 61.300 -0.333 0.000 1.357 155 I CB -0.388 37.314 38.000 -0.496 0.000 1.051 155 I HN 0.359 nan 8.210 nan 0.000 0.409 156 A N 1.028 123.745 122.820 -0.172 0.000 1.883 156 A HA -0.195 4.124 4.320 -0.003 0.000 0.217 156 A C 2.307 179.835 177.584 -0.094 0.000 1.186 156 A CA 1.589 53.591 52.037 -0.057 0.000 0.624 156 A CB -0.952 18.076 19.000 0.046 0.000 0.822 156 A HN 0.392 nan 8.150 nan 0.000 0.444 157 L N -0.832 120.292 121.223 -0.165 0.000 2.083 157 L HA -0.163 4.176 4.340 -0.003 0.000 0.209 157 L C 2.796 179.584 176.870 -0.135 0.000 1.083 157 L CA 1.741 56.486 54.840 -0.159 0.000 0.752 157 L CB -0.866 41.062 42.059 -0.219 0.000 0.899 157 L HN 0.368 nan 8.230 nan 0.000 0.433 158 T N -0.673 113.785 114.554 -0.160 0.000 2.746 158 T HA -0.145 4.203 4.350 -0.003 0.000 0.267 158 T C 2.001 176.628 174.700 -0.122 0.000 1.039 158 T CA 1.294 63.301 62.100 -0.154 0.000 1.142 158 T CB -0.203 68.546 68.868 -0.198 0.000 0.866 158 T HN 0.059 nan 8.240 nan 0.000 0.444 159 V N 1.527 121.357 119.914 -0.140 0.000 2.343 159 V HA -0.174 3.944 4.120 -0.003 0.000 0.247 159 V C 2.465 178.602 176.094 0.072 0.000 1.051 159 V CA 1.667 63.914 62.300 -0.089 0.000 1.036 159 V CB -0.605 31.206 31.823 -0.020 0.000 0.654 159 V HN 0.545 nan 8.190 nan 0.000 0.451 160 E N -0.190 120.028 120.200 0.030 0.000 2.072 160 E HA -0.232 4.116 4.350 -0.003 0.000 0.191 160 E C 2.121 178.752 176.600 0.052 0.000 0.985 160 E CA 1.250 57.678 56.400 0.047 0.000 0.801 160 E CB -0.234 29.467 29.700 0.002 0.000 0.750 160 E HN 0.403 nan 8.360 nan 0.000 0.452 161 L N 0.459 121.677 121.223 -0.009 0.000 2.131 161 L HA -0.130 4.208 4.340 -0.003 0.000 0.210 161 L C 1.981 178.888 176.870 0.061 0.000 1.092 161 L CA 1.321 56.121 54.840 -0.067 0.000 0.759 161 L CB -0.410 41.523 42.059 -0.209 0.000 0.903 161 L HN 0.078 nan 8.230 nan 0.000 0.435 162 F N 0.382 120.322 119.950 -0.017 0.000 2.154 162 F HA -0.271 4.254 4.527 -0.003 0.000 0.301 162 F C 1.881 177.756 175.800 0.125 0.000 1.087 162 F CA 2.012 60.048 58.000 0.059 0.000 1.274 162 F CB -0.104 38.922 39.000 0.043 0.000 1.009 162 F HN 0.217 nan 8.300 nan 0.000 0.485 163 D N -0.201 120.375 120.400 0.293 0.000 2.340 163 D HA 0.075 4.714 4.640 -0.003 0.000 0.220 163 D C 0.042 176.411 176.300 0.115 0.000 1.039 163 D CA 0.365 54.482 54.000 0.196 0.000 0.866 163 D CB 0.098 41.026 40.800 0.213 0.000 0.913 163 D HN -0.026 nan 8.370 nan 0.000 0.523 164 V N 1.230 121.217 119.914 0.122 0.000 2.406 164 V HA 0.106 4.224 4.120 -0.003 0.000 0.272 164 V C 0.704 176.938 176.094 0.234 0.000 1.043 164 V CA -0.649 61.744 62.300 0.154 0.000 0.915 164 V CB 1.407 33.309 31.823 0.132 0.000 0.988 164 V HN -0.019 nan 8.190 nan 0.000 0.466 165 S N 3.738 119.521 115.700 0.138 0.000 2.572 165 S HA 0.126 4.594 4.470 -0.003 0.000 0.279 165 S C 1.015 175.631 174.600 0.026 0.000 1.341 165 S CA -0.534 57.702 58.200 0.059 0.000 1.043 165 S CB 0.613 63.819 63.200 0.010 0.000 0.887 165 S HN 0.653 nan 8.310 nan 0.000 0.516 166 L N 5.144 126.221 121.223 -0.243 0.000 2.265 166 L HA 0.020 4.359 4.340 -0.003 0.000 0.215 166 L C 2.395 179.135 176.870 -0.218 0.000 1.117 166 L CA 1.690 56.196 54.840 -0.557 0.000 0.782 166 L CB -0.364 41.345 42.059 -0.583 0.000 0.914 166 L HN 0.711 nan 8.230 nan 0.000 0.441 167 R N -1.253 119.181 120.500 -0.110 0.000 2.235 167 R HA 0.029 4.367 4.340 -0.003 0.000 0.213 167 R C 1.164 177.440 176.300 -0.041 0.000 1.059 167 R CA 0.508 56.571 56.100 -0.062 0.000 0.997 167 R CB -0.332 29.939 30.300 -0.049 0.000 0.884 167 R HN 0.345 nan 8.270 nan 0.000 0.462 168 S N 1.427 117.132 115.700 0.009 0.000 2.564 168 S HA 0.096 4.564 4.470 -0.003 0.000 0.278 168 S C -1.357 173.269 174.600 0.044 0.000 1.333 168 S CA -1.548 56.673 58.200 0.035 0.000 1.048 168 S CB 0.987 64.237 63.200 0.085 0.000 0.900 168 S HN 0.004 nan 8.310 nan 0.000 0.505 169 P HA -0.030 nan 4.420 nan 0.000 0.226 169 P C 0.562 177.904 177.300 0.071 0.000 1.153 169 P CA 0.959 64.065 63.100 0.010 0.000 0.777 169 P CB 0.099 31.787 31.700 -0.020 0.000 0.794 170 E N -1.510 118.738 120.200 0.080 0.000 2.371 170 E HA -0.060 4.288 4.350 -0.003 0.000 0.194 170 E C 1.650 178.307 176.600 0.095 0.000 1.012 170 E CA 0.080 56.523 56.400 0.072 0.000 0.860 170 E CB -0.468 29.260 29.700 0.046 0.000 0.811 170 E HN 0.177 nan 8.360 nan 0.000 0.502 171 F N 1.821 121.783 119.950 0.020 0.000 2.065 171 F HA -0.302 4.223 4.527 -0.003 0.000 0.298 171 F C 2.264 178.084 175.800 0.034 0.000 1.112 171 F CA 1.824 59.839 58.000 0.025 0.000 1.212 171 F CB -0.169 38.844 39.000 0.022 0.000 0.975 171 F HN -0.010 nan 8.300 nan 0.000 0.476 172 A N -0.298 122.705 122.820 0.305 0.000 1.902 172 A HA -0.221 4.098 4.320 -0.003 0.000 0.217 172 A C 2.097 179.723 177.584 0.070 0.000 1.181 172 A CA 1.753 53.911 52.037 0.203 0.000 0.623 172 A CB -0.836 18.282 19.000 0.196 0.000 0.818 172 A HN 0.615 nan 8.150 nan 0.000 0.443 173 Q N -0.787 119.047 119.800 0.057 0.000 2.084 173 Q HA -0.150 4.188 4.340 -0.003 0.000 0.202 173 Q C 2.334 178.328 176.000 -0.010 0.000 0.978 173 Q CA 1.204 57.024 55.803 0.029 0.000 0.844 173 Q CB -0.210 28.549 28.738 0.036 0.000 0.898 173 Q HN 0.514 nan 8.270 nan 0.000 0.426 174 R N 0.248 120.712 120.500 -0.060 0.000 2.075 174 R HA -0.029 4.309 4.340 -0.003 0.000 0.232 174 R C 2.337 178.553 176.300 -0.140 0.000 1.126 174 R CA 1.120 57.155 56.100 -0.107 0.000 0.963 174 R CB -0.577 29.622 30.300 -0.168 0.000 0.858 174 R HN 0.155 nan 8.270 nan 0.000 0.435 175 S N 1.434 117.011 115.700 -0.205 0.000 2.368 175 S HA -0.121 4.348 4.470 -0.003 0.000 0.225 175 S C 1.342 175.912 174.600 -0.051 0.000 1.030 175 S CA 1.420 59.521 58.200 -0.165 0.000 0.999 175 S CB -0.201 62.908 63.200 -0.150 0.000 0.844 175 S HN 0.272 nan 8.310 nan 0.000 0.459 176 D N 1.031 121.423 120.400 -0.013 0.000 2.144 176 D HA -0.102 4.536 4.640 -0.003 0.000 0.199 176 D C 1.951 178.268 176.300 0.028 0.000 0.984 176 D CA 0.867 54.876 54.000 0.016 0.000 0.834 176 D CB -0.319 40.497 40.800 0.027 0.000 0.955 176 D HN 0.524 nan 8.370 nan 0.000 0.465 177 E N 0.009 120.231 120.200 0.036 0.000 2.072 177 E HA -0.159 4.190 4.350 -0.003 0.000 0.191 177 E C 2.113 178.816 176.600 0.173 0.000 0.985 177 E CA 0.350 56.815 56.400 0.108 0.000 0.801 177 E CB -0.044 29.717 29.700 0.101 0.000 0.750 177 E HN 0.066 nan 8.360 nan 0.000 0.452 178 L N 1.916 123.170 121.223 0.052 0.000 2.012 178 L HA -0.214 4.124 4.340 -0.003 0.000 0.210 178 L C 2.299 179.196 176.870 0.046 0.000 1.073 178 L CA 2.008 56.860 54.840 0.019 0.000 0.748 178 L CB -0.659 41.351 42.059 -0.081 0.000 0.891 178 L HN 0.170 nan 8.230 nan 0.000 0.431 179 E N -0.057 120.154 120.200 0.017 0.000 2.097 179 E HA -0.275 4.074 4.350 -0.003 0.000 0.196 179 E C 2.023 178.634 176.600 0.017 0.000 1.000 179 E CA 1.605 58.010 56.400 0.008 0.000 0.804 179 E CB -0.178 29.527 29.700 0.009 0.000 0.740 179 E HN 0.630 nan 8.360 nan 0.000 0.454 180 A N -0.171 122.665 122.820 0.026 0.000 1.933 180 A HA -0.177 4.142 4.320 -0.003 0.000 0.218 180 A C 2.060 179.572 177.584 -0.120 0.000 1.175 180 A CA 1.402 53.407 52.037 -0.053 0.000 0.628 180 A CB -0.878 18.066 19.000 -0.094 0.000 0.814 180 A HN 0.364 nan 8.150 nan 0.000 0.444 181 Y N -0.237 120.032 120.300 -0.051 0.000 2.263 181 Y HA -0.029 4.519 4.550 -0.003 0.000 0.292 181 Y C 2.129 177.977 175.900 -0.086 0.000 1.130 181 Y CA 1.223 59.284 58.100 -0.066 0.000 1.179 181 Y CB -0.248 38.163 38.460 -0.082 0.000 0.998 181 Y HN 0.161 nan 8.280 nan 0.000 0.532 182 L N -0.165 121.089 121.223 0.052 0.000 2.275 182 L HA -0.209 4.129 4.340 -0.003 0.000 0.215 182 L C 2.362 179.214 176.870 -0.030 0.000 1.119 182 L CA 0.888 55.711 54.840 -0.029 0.000 0.790 182 L CB -0.368 41.660 42.059 -0.051 0.000 0.919 182 L HN 0.215 nan 8.230 nan 0.000 0.443 183 Q N 0.557 120.345 119.800 -0.019 0.000 2.234 183 Q HA -0.214 4.125 4.340 -0.003 0.000 0.206 183 Q C 2.033 178.028 176.000 -0.009 0.000 0.980 183 Q CA 1.488 57.284 55.803 -0.011 0.000 0.869 183 Q CB 0.023 28.746 28.738 -0.024 0.000 0.912 183 Q HN 0.158 nan 8.270 nan 0.000 0.436 184 K N -0.476 119.906 120.400 -0.030 0.000 2.147 184 K HA -0.096 4.222 4.320 -0.003 0.000 0.205 184 K C 1.797 178.387 176.600 -0.017 0.000 1.049 184 K CA 1.105 57.376 56.287 -0.026 0.000 0.936 184 K CB -0.212 32.266 32.500 -0.037 0.000 0.722 184 K HN 0.367 nan 8.250 nan 0.000 0.446 185 M N 0.431 119.997 119.600 -0.056 0.000 2.117 185 M HA -0.123 4.355 4.480 -0.003 0.000 0.262 185 M C 2.337 178.720 176.300 0.139 0.000 1.065 185 M CA 1.141 56.388 55.300 -0.089 0.000 1.114 185 M CB -1.088 31.297 32.600 -0.360 0.000 1.361 185 M HN -0.156 nan 8.290 nan 0.000 0.408 186 V N 0.250 120.247 119.914 0.139 0.000 2.287 186 V HA -0.271 3.847 4.120 -0.003 0.000 0.248 186 V C 2.375 178.553 176.094 0.141 0.000 1.053 186 V CA 2.143 64.543 62.300 0.166 0.000 1.027 186 V CB -0.912 30.972 31.823 0.102 0.000 0.646 186 V HN 0.513 nan 8.190 nan 0.000 0.447 187 E N 0.142 120.403 120.200 0.101 0.000 2.118 187 E HA -0.224 4.124 4.350 -0.003 0.000 0.195 187 E C 2.334 179.032 176.600 0.164 0.000 0.992 187 E CA 1.610 58.076 56.400 0.111 0.000 0.804 187 E CB -0.103 29.637 29.700 0.067 0.000 0.741 187 E HN 0.603 nan 8.360 nan 0.000 0.458 188 S N 0.390 116.179 115.700 0.148 0.000 2.356 188 S HA -0.141 4.327 4.470 -0.003 0.000 0.223 188 S C 1.863 176.625 174.600 0.270 0.000 1.032 188 S CA 1.025 59.335 58.200 0.183 0.000 1.005 188 S CB -0.112 63.166 63.200 0.132 0.000 0.867 188 S HN 0.313 nan 8.310 nan 0.000 0.449 189 I N 1.275 122.006 120.570 0.269 0.000 2.252 189 I HA -0.062 4.106 4.170 -0.003 0.000 0.245 189 I C 2.294 178.537 176.117 0.209 0.000 1.102 189 I CA 0.850 62.298 61.300 0.246 0.000 1.385 189 I CB -1.599 36.521 38.000 0.201 0.000 1.064 189 I HN 0.138 nan 8.210 nan 0.000 0.414 190 V N 0.498 120.518 119.914 0.176 0.000 2.332 190 V HA -0.334 3.784 4.120 -0.003 0.000 0.248 190 V C 2.446 178.655 176.094 0.193 0.000 1.055 190 V CA 1.950 64.337 62.300 0.145 0.000 1.038 190 V CB -0.933 30.956 31.823 0.111 0.000 0.651 190 V HN 0.318 nan 8.190 nan 0.000 0.450 191 Y N 1.041 121.430 120.300 0.148 0.000 2.145 191 Y HA -0.218 4.331 4.550 -0.001 0.000 0.286 191 Y C 2.433 178.469 175.900 0.227 0.000 1.145 191 Y CA 1.705 59.936 58.100 0.218 0.000 1.148 191 Y CB -0.558 38.038 38.460 0.226 0.000 0.981 191 Y HN 0.159 nan 8.280 nan 0.000 0.507 192 A N -0.914 122.119 122.820 0.355 0.000 1.908 192 A HA -0.270 4.048 4.320 -0.003 0.000 0.218 192 A C 2.101 179.756 177.584 0.118 0.000 1.181 192 A CA 1.808 53.994 52.037 0.250 0.000 0.627 192 A CB -1.518 17.627 19.000 0.240 0.000 0.818 192 A HN 0.676 nan 8.150 nan 0.000 0.445 193 Y N 0.088 120.385 120.300 -0.005 0.000 2.224 193 Y HA -0.176 4.360 4.550 -0.023 0.000 0.289 193 Y C 2.567 178.374 175.900 -0.155 0.000 1.146 193 Y CA 2.079 60.140 58.100 -0.066 0.000 1.182 193 Y CB -0.174 38.250 38.460 -0.060 0.000 0.983 193 Y HN 0.382 nan 8.280 nan 0.000 0.524 194 R N -1.506 118.893 120.500 -0.169 0.000 2.075 194 R HA -0.081 4.257 4.340 -0.003 0.000 0.226 194 R C 1.107 176.986 176.300 -0.700 0.000 1.114 194 R CA 1.820 57.608 56.100 -0.521 0.000 0.972 194 R CB -0.340 29.471 30.300 -0.816 0.000 0.869 194 R HN 0.271 nan 8.270 nan 0.000 0.437 195 F N -0.323 119.428 119.950 -0.332 0.000 2.712 195 F HA 0.370 4.901 4.527 0.006 0.000 0.297 195 F C 0.297 175.995 175.800 -0.171 0.000 1.114 195 F CA -0.409 57.335 58.000 -0.426 0.000 1.305 195 F CB 0.560 39.024 39.000 -0.893 0.000 1.086 195 F HN -0.162 nan 8.300 nan 0.000 0.599 196 I N 0.145 120.768 120.570 0.088 0.000 2.315 196 I HA 0.148 4.316 4.170 -0.003 0.000 0.291 196 I C 0.557 176.712 176.117 0.064 0.000 1.006 196 I CA -0.611 60.787 61.300 0.163 0.000 1.265 196 I CB 1.240 39.356 38.000 0.193 0.000 1.387 196 I HN -0.163 nan 8.210 nan 0.000 0.475 197 S N 8.733 124.497 115.700 0.107 0.000 2.488 197 S HA 0.217 4.685 4.470 -0.003 0.000 0.278 197 S C -1.100 173.558 174.600 0.098 0.000 1.259 197 S CA -1.225 57.012 58.200 0.061 0.000 1.061 197 S CB 0.766 64.014 63.200 0.079 0.000 0.910 197 S HN 0.444 nan 8.310 nan 0.000 0.491 198 P HA -0.174 nan 4.420 nan 0.000 0.217 198 P C 1.455 178.840 177.300 0.141 0.000 1.150 198 P CA 0.850 63.996 63.100 0.076 0.000 0.832 198 P CB 0.020 31.711 31.700 -0.016 0.000 0.787 199 Q N 0.550 120.403 119.800 0.087 0.000 2.084 199 Q HA -0.098 4.240 4.340 -0.003 0.000 0.202 199 Q C 2.049 178.126 176.000 0.129 0.000 0.978 199 Q CA 1.677 57.537 55.803 0.095 0.000 0.844 199 Q CB -0.708 28.060 28.738 0.051 0.000 0.898 199 Q HN 0.075 nan 8.270 nan 0.000 0.426 200 V N 0.908 120.897 119.914 0.126 0.000 2.358 200 V HA -0.209 3.910 4.120 -0.003 0.000 0.246 200 V C 2.207 178.378 176.094 0.128 0.000 1.047 200 V CA 1.740 64.107 62.300 0.112 0.000 1.035 200 V CB -0.932 30.957 31.823 0.111 0.000 0.658 200 V HN 0.316 nan 8.190 nan 0.000 0.452 201 F N 0.223 120.223 119.950 0.083 0.000 2.069 201 F HA -0.294 4.234 4.527 0.003 0.000 0.298 201 F C 2.363 178.192 175.800 0.049 0.000 1.113 201 F CA 2.322 60.380 58.000 0.096 0.000 1.214 201 F CB -0.509 38.561 39.000 0.117 0.000 0.978 201 F HN 0.208 nan 8.300 nan 0.000 0.474 202 Y N 0.934 121.284 120.300 0.083 0.000 2.200 202 Y HA -0.195 4.356 4.550 0.002 0.000 0.290 202 Y C 2.157 177.952 175.900 -0.174 0.000 1.137 202 Y CA 2.136 60.177 58.100 -0.097 0.000 1.163 202 Y CB -0.524 37.879 38.460 -0.096 0.000 0.988 202 Y HN 0.077 nan 8.280 nan 0.000 0.518 203 D N -0.644 119.754 120.400 -0.002 0.000 2.213 203 D HA -0.065 4.573 4.640 -0.003 0.000 0.205 203 D C 1.615 177.831 176.300 -0.140 0.000 0.961 203 D CA 1.406 55.370 54.000 -0.061 0.000 0.853 203 D CB 0.069 40.896 40.800 0.044 0.000 0.967 203 D HN 0.558 nan 8.370 nan 0.000 0.496 204 E N -0.770 119.358 120.200 -0.119 0.000 2.421 204 E HA 0.186 4.534 4.350 -0.003 0.000 0.209 204 E C 1.931 178.487 176.600 -0.073 0.000 0.871 204 E CA -0.003 56.358 56.400 -0.066 0.000 1.064 204 E CB 0.862 30.562 29.700 0.001 0.000 1.075 204 E HN 0.141 nan 8.360 nan 0.000 0.513 205 L N 0.428 121.506 121.223 -0.241 0.000 2.262 205 L HA 0.178 4.516 4.340 -0.003 0.000 0.197 205 L C 2.639 179.079 176.870 -0.718 0.000 1.073 205 L CA 0.189 54.815 54.840 -0.358 0.000 0.800 205 L CB -0.411 41.477 42.059 -0.284 0.000 0.987 205 L HN -0.025 nan 8.230 nan 0.000 0.470 206 R N 1.245 121.254 120.500 -0.819 0.000 2.140 206 R HA -0.202 4.136 4.340 -0.003 0.000 0.250 206 R C -0.641 175.321 176.300 -0.564 0.000 1.150 206 R CA 2.104 57.826 56.100 -0.630 0.000 0.966 206 R CB -1.287 28.633 30.300 -0.632 0.000 0.869 206 R HN 0.238 nan 8.270 nan 0.000 0.445 207 P HA -0.098 nan 4.420 nan 0.000 0.228 207 P C 0.320 177.158 177.300 -0.769 0.000 1.151 207 P CA 1.097 63.836 63.100 -0.601 0.000 0.770 207 P CB -0.103 31.224 31.700 -0.621 0.000 0.786 208 F N -3.087 116.360 119.950 -0.839 0.000 2.811 208 F HA 0.039 4.563 4.527 -0.004 0.000 0.301 208 F C 0.886 176.193 175.800 -0.822 0.000 1.151 208 F CA 0.577 58.003 58.000 -0.956 0.000 1.412 208 F CB -0.400 37.815 39.000 -1.308 0.000 1.113 208 F HN -0.057 nan 8.300 nan 0.000 0.579 209 Y N -0.315 119.850 120.300 -0.225 0.000 2.720 209 Y HA 0.251 4.798 4.550 -0.004 0.000 0.277 209 Y C 0.627 176.472 175.900 -0.091 0.000 1.144 209 Y CA -1.217 56.796 58.100 -0.146 0.000 1.221 209 Y CB -0.950 37.458 38.460 -0.086 0.000 1.163 209 Y HN -0.159 nan 8.280 nan 0.000 0.537 210 E N 2.367 122.553 120.200 -0.024 0.000 2.373 210 E HA 0.194 4.542 4.350 -0.003 0.000 0.263 210 E C -2.289 174.326 176.600 0.026 0.000 1.073 210 E CA -1.850 54.537 56.400 -0.022 0.000 0.894 210 E CB 0.506 30.151 29.700 -0.093 0.000 1.008 210 E HN 0.070 nan 8.360 nan 0.000 0.420 211 P HA 0.188 nan 4.420 nan 0.000 0.272 211 P C -0.107 177.234 177.300 0.068 0.000 1.230 211 P CA 0.006 63.145 63.100 0.065 0.000 0.788 211 P CB 0.482 32.207 31.700 0.042 0.000 0.949 212 I N -2.379 118.260 120.570 0.115 0.000 3.042 212 I HA 0.615 4.784 4.170 -0.003 0.000 0.310 212 I C -0.542 175.657 176.117 0.137 0.000 1.117 212 I CA -1.641 59.727 61.300 0.112 0.000 1.003 212 I CB 2.645 40.720 38.000 0.125 0.000 1.228 212 I HN 0.069 nan 8.210 nan 0.000 0.443 213 R N 2.723 123.288 120.500 0.109 0.000 2.255 213 R HA 0.728 5.066 4.340 -0.003 0.000 0.326 213 R C -1.247 175.138 176.300 0.142 0.000 0.986 213 R CA -0.771 55.392 56.100 0.104 0.000 0.847 213 R CB 2.140 32.473 30.300 0.055 0.000 1.111 213 R HN 0.572 nan 8.270 nan 0.000 0.452 214 V N 1.848 121.892 119.914 0.217 0.000 2.808 214 V HA 0.515 4.633 4.120 -0.003 0.000 0.308 214 V C 0.510 176.735 176.094 0.217 0.000 1.099 214 V CA 0.255 62.675 62.300 0.199 0.000 0.920 214 V CB 1.795 33.726 31.823 0.181 0.000 1.014 214 V HN 0.995 nan 8.190 nan 0.000 0.425 215 G N 4.189 113.065 108.800 0.126 0.000 2.258 215 G HA2 0.020 3.978 3.960 -0.003 0.000 0.274 215 G HA3 0.020 3.978 3.960 -0.003 0.000 0.274 215 G C 1.392 176.338 174.900 0.077 0.000 1.021 215 G CA 1.008 46.170 45.100 0.103 0.000 0.798 215 G HN 2.673 nan 8.290 nan 0.000 0.507 216 G N -1.728 107.106 108.800 0.056 0.000 2.147 216 G HA2 0.069 4.027 3.960 -0.003 0.000 0.244 216 G HA3 0.069 4.027 3.960 -0.003 0.000 0.244 216 G C 0.157 175.049 174.900 -0.014 0.000 1.005 216 G CA 1.423 46.535 45.100 0.020 0.000 0.713 216 G HN 2.159 nan 8.290 nan 0.000 0.515 217 Q N -1.651 118.129 119.800 -0.033 0.000 2.565 217 Q HA 0.739 5.077 4.340 -0.003 0.000 0.294 217 Q C -0.845 175.021 176.000 -0.223 0.000 1.005 217 Q CA -0.483 55.226 55.803 -0.156 0.000 0.771 217 Q CB 1.165 29.748 28.738 -0.258 0.000 1.486 217 Q HN 0.616 nan 8.270 nan 0.000 0.422 218 S N 0.197 115.725 115.700 -0.287 0.000 2.480 218 S HA 0.582 5.050 4.470 -0.003 0.000 0.286 218 S C -1.640 172.752 174.600 -0.346 0.000 1.180 218 S CA -0.296 57.790 58.200 -0.190 0.000 1.075 218 S CB 0.257 63.399 63.200 -0.096 0.000 0.996 218 S HN 0.434 nan 8.310 nan 0.000 0.487 219 Y N 3.865 124.217 120.300 0.087 0.000 2.341 219 Y HA 0.454 5.002 4.550 -0.003 0.000 0.338 219 Y C 0.307 176.309 175.900 0.170 0.000 0.965 219 Y CA -0.829 57.377 58.100 0.177 0.000 1.108 219 Y CB 1.126 39.682 38.460 0.159 0.000 1.180 219 Y HN 0.521 nan 8.280 nan 0.000 0.458 220 L N 2.741 124.154 121.223 0.316 0.000 2.467 220 L HA 0.316 4.654 4.340 -0.003 0.000 0.270 220 L C 1.193 178.119 176.870 0.094 0.000 1.205 220 L CA -0.174 54.709 54.840 0.071 0.000 0.828 220 L CB 0.308 42.261 42.059 -0.177 0.000 1.101 220 L HN 0.838 nan 8.230 nan 0.000 0.479 221 G N 1.177 110.024 108.800 0.079 0.000 2.634 221 G HA2 0.306 4.265 3.960 -0.003 0.000 0.255 221 G HA3 0.306 4.265 3.960 -0.003 0.000 0.255 221 G C -2.294 172.632 174.900 0.043 0.000 1.205 221 G CA -0.853 44.312 45.100 0.109 0.000 0.884 221 G HN 0.504 nan 8.290 nan 0.000 0.549 222 P HA 0.218 nan 4.420 nan 0.000 0.231 222 P C 0.297 177.501 177.300 -0.160 0.000 1.811 222 P CA -0.043 63.047 63.100 -0.017 0.000 1.051 222 P CB 0.481 32.212 31.700 0.051 0.000 1.951 223 G N 1.062 109.772 108.800 -0.149 0.000 2.461 223 G HA2 0.426 4.385 3.960 -0.003 0.000 0.329 223 G HA3 0.426 4.385 3.960 -0.003 0.000 0.329 223 G C 1.028 175.873 174.900 -0.092 0.000 1.170 223 G CA -0.470 44.532 45.100 -0.162 0.000 0.935 223 G HN 0.231 nan 8.290 nan 0.000 0.492 224 A N 0.509 123.301 122.820 -0.046 0.000 2.125 224 A HA -0.004 4.314 4.320 -0.003 0.000 0.219 224 A C 2.406 179.962 177.584 -0.046 0.000 1.156 224 A CA 1.526 53.550 52.037 -0.021 0.000 0.671 224 A CB -0.481 18.546 19.000 0.045 0.000 0.794 224 A HN 1.055 nan 8.150 nan 0.000 0.459 225 V N 0.430 120.293 119.914 -0.085 0.000 2.546 225 V HA -0.285 3.833 4.120 -0.003 0.000 0.254 225 V C 1.957 177.868 176.094 -0.304 0.000 1.076 225 V CA 2.645 64.812 62.300 -0.222 0.000 1.087 225 V CB -0.569 31.019 31.823 -0.392 0.000 0.674 225 V HN 0.746 nan 8.190 nan 0.000 0.470 226 E N -0.591 119.505 120.200 -0.173 0.000 2.482 226 E HA 0.049 4.397 4.350 -0.003 0.000 0.196 226 E C 0.789 177.433 176.600 0.074 0.000 1.047 226 E CA -0.205 56.196 56.400 0.002 0.000 0.869 226 E CB -0.059 29.672 29.700 0.051 0.000 0.836 226 E HN 0.594 nan 8.360 nan 0.000 0.520 227 M N 2.581 122.175 119.600 -0.010 0.000 2.261 227 M HA -0.018 4.460 4.480 -0.003 0.000 0.350 227 M C -1.700 174.544 176.300 -0.093 0.000 1.343 227 M CA -0.742 54.515 55.300 -0.073 0.000 1.003 227 M CB 0.095 32.621 32.600 -0.124 0.000 1.848 227 M HN -0.186 nan 8.290 nan 0.000 0.456 228 P HA -0.045 nan 4.420 nan 0.000 0.263 228 P C 0.944 177.895 177.300 -0.582 0.000 1.386 228 P CA 0.273 63.038 63.100 -0.559 0.000 0.797 228 P CB -0.175 31.175 31.700 -0.582 0.000 1.381 229 L N 0.738 121.764 121.223 -0.328 0.000 2.129 229 L HA -0.176 4.163 4.340 -0.003 0.000 0.212 229 L C 2.121 178.915 176.870 -0.128 0.000 1.087 229 L CA 1.913 56.616 54.840 -0.228 0.000 0.757 229 L CB -1.492 40.465 42.059 -0.170 0.000 0.896 229 L HN 0.008 nan 8.230 nan 0.000 0.434 230 F N -3.048 116.887 119.950 -0.026 0.000 2.293 230 F HA -0.022 4.503 4.527 -0.004 0.000 0.300 230 F C 1.889 177.693 175.800 0.008 0.000 1.086 230 F CA 1.086 59.114 58.000 0.047 0.000 1.375 230 F CB -1.540 37.453 39.000 -0.011 0.000 1.045 230 F HN -0.118 nan 8.300 nan 0.000 0.516 231 V N 1.318 120.840 119.914 -0.654 0.000 2.379 231 V HA -0.229 3.890 4.120 -0.003 0.000 0.245 231 V C 2.577 178.545 176.094 -0.210 0.000 1.044 231 V CA 1.674 63.768 62.300 -0.344 0.000 1.036 231 V CB -0.626 30.916 31.823 -0.468 0.000 0.664 231 V HN 0.550 nan 8.190 nan 0.000 0.453 232 L N 0.022 121.068 121.223 -0.295 0.000 2.013 232 L HA -0.249 4.089 4.340 -0.003 0.000 0.212 232 L C 2.556 179.303 176.870 -0.206 0.000 1.073 232 L CA 2.046 56.731 54.840 -0.258 0.000 0.753 232 L CB -0.255 41.644 42.059 -0.267 0.000 0.890 232 L HN 0.379 nan 8.230 nan 0.000 0.432 233 E N -1.739 118.358 120.200 -0.172 0.000 2.285 233 E HA -0.238 4.110 4.350 -0.003 0.000 0.194 233 E C 1.854 178.171 176.600 -0.471 0.000 0.997 233 E CA 0.720 56.922 56.400 -0.329 0.000 0.845 233 E CB -0.050 29.510 29.700 -0.233 0.000 0.782 233 E HN 0.586 nan 8.360 nan 0.000 0.491 234 H N 0.682 119.577 119.070 -0.291 0.000 2.319 234 H HA -0.136 4.418 4.556 -0.003 0.000 0.297 234 H C 1.921 177.109 175.328 -0.234 0.000 1.097 234 H CA 1.916 57.827 56.048 -0.229 0.000 1.285 234 H CB -0.098 29.579 29.762 -0.141 0.000 1.368 234 H HN -0.062 nan 8.280 nan 0.000 0.495 235 V N 0.158 119.930 119.914 -0.238 0.000 2.358 235 V HA -0.184 3.934 4.120 -0.003 0.000 0.246 235 V C 2.530 178.536 176.094 -0.147 0.000 1.047 235 V CA 1.552 63.616 62.300 -0.394 0.000 1.035 235 V CB -0.697 30.704 31.823 -0.703 0.000 0.658 235 V HN 0.356 nan 8.190 nan 0.000 0.452 236 L N 0.349 121.497 121.223 -0.125 0.000 2.023 236 L HA -0.075 4.264 4.340 -0.003 0.000 0.205 236 L C 1.998 179.018 176.870 0.251 0.000 1.073 236 L CA 2.258 57.124 54.840 0.043 0.000 0.745 236 L CB -0.406 41.657 42.059 0.007 0.000 0.900 236 L HN 0.693 nan 8.230 nan 0.000 0.435 237 W N -3.843 117.548 121.300 0.152 0.000 2.396 237 W HA 0.454 5.113 4.660 -0.002 0.000 0.216 237 W C 1.173 177.795 176.519 0.172 0.000 0.949 237 W CA 0.386 57.856 57.345 0.208 0.000 1.168 237 W CB -0.385 29.283 29.460 0.348 0.000 0.829 237 W HN 0.124 nan 8.180 nan 0.000 0.663 238 G N 1.839 110.480 108.800 -0.265 0.000 2.986 238 G HA2 -0.030 3.928 3.960 -0.003 0.000 0.213 238 G HA3 -0.030 3.928 3.960 -0.003 0.000 0.213 238 G C 1.487 176.401 174.900 0.024 0.000 1.156 238 G CA 0.962 45.978 45.100 -0.140 0.000 0.763 238 G HN 0.174 nan 8.290 nan 0.000 0.547 239 S N 0.417 115.959 115.700 -0.263 0.000 2.383 239 S HA -0.161 4.307 4.470 -0.003 0.000 0.229 239 S C 1.725 176.252 174.600 -0.123 0.000 1.030 239 S CA 1.129 58.995 58.200 -0.557 0.000 1.002 239 S CB -0.189 62.650 63.200 -0.602 0.000 0.829 239 S HN 0.435 nan 8.310 nan 0.000 0.467 240 Q N 1.036 120.853 119.800 0.028 0.000 2.189 240 Q HA 0.342 4.680 4.340 -0.003 0.000 0.221 240 Q C -0.209 175.887 176.000 0.161 0.000 0.848 240 Q CA -0.288 55.570 55.803 0.091 0.000 1.007 240 Q CB 0.660 29.451 28.738 0.089 0.000 1.116 240 Q HN 0.488 nan 8.270 nan 0.000 0.481 241 S N 1.679 117.524 115.700 0.242 0.000 2.505 241 S HA 0.023 4.491 4.470 -0.003 0.000 0.276 241 S C 0.477 175.240 174.600 0.270 0.000 1.274 241 S CA -0.547 57.844 58.200 0.319 0.000 1.053 241 S CB 0.549 64.075 63.200 0.543 0.000 0.919 241 S HN 0.328 nan 8.310 nan 0.000 0.490 242 D N 2.632 123.161 120.400 0.214 0.000 2.328 242 D HA 0.037 4.675 4.640 -0.003 0.000 0.221 242 D C 0.147 176.558 176.300 0.185 0.000 1.072 242 D CA -0.209 53.894 54.000 0.172 0.000 0.850 242 D CB -0.240 40.634 40.800 0.124 0.000 0.922 242 D HN 0.531 nan 8.370 nan 0.000 0.516 243 D N 1.202 121.751 120.400 0.250 0.000 2.382 243 D HA -0.072 4.566 4.640 -0.003 0.000 0.259 243 D C 1.010 177.459 176.300 0.248 0.000 1.224 243 D CA 0.042 54.189 54.000 0.246 0.000 0.894 243 D CB 1.305 42.279 40.800 0.289 0.000 1.127 243 D HN -0.020 nan 8.370 nan 0.000 0.487 244 Q N 2.615 122.520 119.800 0.175 0.000 2.030 244 Q HA -0.168 4.171 4.340 -0.003 0.000 0.204 244 Q C 1.681 177.780 176.000 0.164 0.000 0.986 244 Q CA 2.229 58.118 55.803 0.145 0.000 0.843 244 Q CB -0.261 28.541 28.738 0.106 0.000 0.904 244 Q HN 0.557 nan 8.270 nan 0.000 0.420 245 T N -0.070 114.590 114.554 0.177 0.000 2.665 245 T HA -0.220 4.129 4.350 -0.003 0.000 0.268 245 T C 1.349 176.220 174.700 0.284 0.000 1.035 245 T CA 1.610 63.824 62.100 0.190 0.000 1.151 245 T CB -0.702 68.262 68.868 0.159 0.000 0.862 245 T HN 0.450 nan 8.240 nan 0.000 0.438 246 Y N 2.056 122.475 120.300 0.198 0.000 2.145 246 Y HA -0.069 4.480 4.550 -0.002 0.000 0.286 246 Y C 2.668 178.756 175.900 0.313 0.000 1.145 246 Y CA 1.356 59.628 58.100 0.287 0.000 1.148 246 Y CB -0.420 38.209 38.460 0.281 0.000 0.981 246 Y HN -0.022 nan 8.280 nan 0.000 0.507 247 R N 0.369 120.916 120.500 0.078 0.000 2.081 247 R HA -0.178 4.160 4.340 -0.003 0.000 0.235 247 R C 2.145 178.438 176.300 -0.012 0.000 1.131 247 R CA 2.043 58.124 56.100 -0.030 0.000 0.960 247 R CB -0.232 30.112 30.300 0.073 0.000 0.856 247 R HN 0.507 nan 8.270 nan 0.000 0.436 248 E N -0.383 119.852 120.200 0.058 0.000 2.106 248 E HA -0.213 4.135 4.350 -0.003 0.000 0.192 248 E C 1.715 178.327 176.600 0.020 0.000 0.984 248 E CA 1.221 57.640 56.400 0.032 0.000 0.806 248 E CB -0.257 29.480 29.700 0.061 0.000 0.750 248 E HN 0.311 nan 8.360 nan 0.000 0.458 249 F N 2.528 122.454 119.950 -0.040 0.000 2.069 249 F HA -0.240 4.287 4.527 0.001 0.000 0.298 249 F C 1.878 177.582 175.800 -0.159 0.000 1.113 249 F CA 1.695 59.682 58.000 -0.021 0.000 1.214 249 F CB -0.136 38.907 39.000 0.072 0.000 0.978 249 F HN -0.221 nan 8.300 nan 0.000 0.474 250 K N 0.202 120.238 120.400 -0.607 0.000 2.032 250 K HA -0.200 4.118 4.320 -0.003 0.000 0.209 250 K C 2.001 178.203 176.600 -0.664 0.000 1.048 250 K CA 2.056 57.835 56.287 -0.845 0.000 0.927 250 K CB -0.458 31.837 32.500 -0.343 0.000 0.712 250 K HN 0.449 nan 8.250 nan 0.000 0.441 251 E N 0.176 120.149 120.200 -0.378 0.000 2.153 251 E HA -0.137 4.211 4.350 -0.003 0.000 0.194 251 E C 1.969 178.391 176.600 -0.296 0.000 0.988 251 E CA 1.278 57.504 56.400 -0.291 0.000 0.811 251 E CB -0.101 29.512 29.700 -0.144 0.000 0.746 251 E HN 0.285 nan 8.360 nan 0.000 0.466 252 T N 0.239 114.580 114.554 -0.355 0.000 2.708 252 T HA -0.155 4.194 4.350 -0.003 0.000 0.266 252 T C 1.274 175.665 174.700 -0.514 0.000 1.037 252 T CA 1.243 63.079 62.100 -0.441 0.000 1.146 252 T CB -0.245 68.291 68.868 -0.554 0.000 0.865 252 T HN 0.238 nan 8.240 nan 0.000 0.435 253 Y N 0.147 120.188 120.300 -0.431 0.000 2.500 253 Y HA 0.313 4.862 4.550 -0.001 0.000 0.270 253 Y C 1.813 177.710 175.900 -0.005 0.000 1.134 253 Y CA -0.615 57.303 58.100 -0.303 0.000 1.293 253 Y CB -0.331 37.674 38.460 -0.758 0.000 1.063 253 Y HN 0.051 nan 8.280 nan 0.000 0.534 254 L N 1.597 122.783 121.223 -0.061 0.000 2.021 254 L HA -0.182 4.156 4.340 -0.003 0.000 0.215 254 L C -0.783 176.122 176.870 0.059 0.000 1.074 254 L CA 2.190 57.046 54.840 0.028 0.000 0.760 254 L CB -1.480 40.417 42.059 -0.270 0.000 0.889 254 L HN 0.037 nan 8.230 nan 0.000 0.433 255 P HA -0.152 nan 4.420 nan 0.000 0.225 255 P C 0.746 177.940 177.300 -0.176 0.000 1.148 255 P CA 1.449 64.461 63.100 -0.146 0.000 0.779 255 P CB -0.138 31.380 31.700 -0.303 0.000 0.780 256 Y N -1.305 119.070 120.300 0.126 0.000 2.482 256 Y HA 0.061 4.610 4.550 -0.001 0.000 0.270 256 Y C 1.470 177.460 175.900 0.149 0.000 1.152 256 Y CA -0.404 57.788 58.100 0.154 0.000 1.292 256 Y CB -0.363 38.211 38.460 0.189 0.000 1.070 256 Y HN -0.177 nan 8.280 nan 0.000 0.528 257 V N -1.684 118.390 119.914 0.267 0.000 2.973 257 V HA 0.336 4.454 4.120 -0.003 0.000 0.314 257 V C 0.295 176.483 176.094 0.156 0.000 1.066 257 V CA -1.853 60.572 62.300 0.208 0.000 1.021 257 V CB 1.157 33.085 31.823 0.176 0.000 1.076 257 V HN 0.045 nan 8.190 nan 0.000 0.462 258 L N 2.728 124.038 121.223 0.145 0.000 2.514 258 L HA 0.131 4.469 4.340 -0.003 0.000 0.280 258 L C -1.179 175.649 176.870 -0.069 0.000 1.223 258 L CA -0.791 54.059 54.840 0.016 0.000 0.864 258 L CB 0.294 42.252 42.059 -0.169 0.000 1.118 258 L HN 0.533 nan 8.230 nan 0.000 0.494 259 P HA -0.258 nan 4.420 nan 0.000 0.217 259 P C 1.255 178.492 177.300 -0.104 0.000 1.151 259 P CA 1.747 64.819 63.100 -0.047 0.000 0.849 259 P CB 0.153 31.835 31.700 -0.031 0.000 0.787 260 A N -1.536 121.139 122.820 -0.241 0.000 1.940 260 A HA -0.227 4.091 4.320 -0.003 0.000 0.219 260 A C 1.855 179.343 177.584 -0.159 0.000 1.176 260 A CA 1.607 53.485 52.037 -0.266 0.000 0.631 260 A CB -1.788 16.958 19.000 -0.424 0.000 0.814 260 A HN 0.162 nan 8.150 nan 0.000 0.446 261 Y N -0.191 120.103 120.300 -0.009 0.000 2.395 261 Y HA 0.015 4.564 4.550 -0.002 0.000 0.293 261 Y C 2.458 178.351 175.900 -0.012 0.000 1.123 261 Y CA 0.585 58.661 58.100 -0.041 0.000 1.227 261 Y CB -0.506 37.883 38.460 -0.119 0.000 1.012 261 Y HN 0.259 nan 8.280 nan 0.000 0.552 262 R N 0.127 120.688 120.500 0.102 0.000 2.096 262 R HA -0.104 4.234 4.340 -0.003 0.000 0.235 262 R C 2.439 178.808 176.300 0.115 0.000 1.127 262 R CA 1.209 57.353 56.100 0.075 0.000 0.968 262 R CB -0.664 29.652 30.300 0.027 0.000 0.861 262 R HN 0.316 nan 8.270 nan 0.000 0.440 263 A N 0.962 123.829 122.820 0.078 0.000 1.930 263 A HA -0.081 4.237 4.320 -0.003 0.000 0.217 263 A C 2.415 180.067 177.584 0.113 0.000 1.175 263 A CA 1.132 53.211 52.037 0.070 0.000 0.627 263 A CB -0.468 18.546 19.000 0.023 0.000 0.815 263 A HN 0.092 nan 8.150 nan 0.000 0.443 264 V N -1.339 118.677 119.914 0.169 0.000 2.287 264 V HA -0.311 3.808 4.120 -0.003 0.000 0.248 264 V C 2.304 178.597 176.094 0.331 0.000 1.053 264 V CA 2.243 64.699 62.300 0.260 0.000 1.027 264 V CB -1.024 30.949 31.823 0.250 0.000 0.646 264 V HN 0.712 nan 8.190 nan 0.000 0.447 265 Y N 1.229 121.601 120.300 0.119 0.000 2.081 265 Y HA -0.331 4.217 4.550 -0.003 0.000 0.280 265 Y C 2.424 178.399 175.900 0.126 0.000 1.163 265 Y CA 2.183 60.321 58.100 0.064 0.000 1.135 265 Y CB -0.602 37.792 38.460 -0.110 0.000 0.970 265 Y HN 0.166 nan 8.280 nan 0.000 0.498 266 A N 0.324 123.296 122.820 0.252 0.000 1.908 266 A HA -0.264 4.055 4.320 -0.003 0.000 0.218 266 A C 2.310 179.896 177.584 0.004 0.000 1.181 266 A CA 1.968 54.085 52.037 0.134 0.000 0.627 266 A CB -0.909 18.158 19.000 0.112 0.000 0.818 266 A HN 0.586 nan 8.150 nan 0.000 0.445 267 R N -1.674 118.793 120.500 -0.056 0.000 2.105 267 R HA -0.134 4.204 4.340 -0.003 0.000 0.239 267 R C 1.134 177.125 176.300 -0.514 0.000 1.135 267 R CA 1.969 57.882 56.100 -0.311 0.000 0.967 267 R CB -0.316 29.723 30.300 -0.434 0.000 0.861 267 R HN 0.502 nan 8.270 nan 0.000 0.442 268 F N -0.615 119.249 119.950 -0.143 0.000 2.727 268 F HA 0.225 4.751 4.527 -0.002 0.000 0.302 268 F C 2.063 177.740 175.800 -0.205 0.000 1.097 268 F CA 0.014 57.874 58.000 -0.234 0.000 1.330 268 F CB 0.531 39.329 39.000 -0.337 0.000 1.084 268 F HN -0.052 nan 8.300 nan 0.000 0.578 269 S N -0.100 115.606 115.700 0.011 0.000 2.402 269 S HA -0.076 4.392 4.470 -0.003 0.000 0.229 269 S C 2.123 176.716 174.600 -0.011 0.000 1.021 269 S CA 1.176 59.379 58.200 0.005 0.000 0.974 269 S CB -0.515 62.709 63.200 0.041 0.000 0.800 269 S HN 0.430 nan 8.310 nan 0.000 0.484 270 G N 0.784 109.574 108.800 -0.017 0.000 3.591 270 G HA2 0.406 4.365 3.960 -0.003 0.000 0.282 270 G HA3 0.406 4.365 3.960 -0.003 0.000 0.282 270 G C -0.175 174.735 174.900 0.016 0.000 1.238 270 G CA -0.216 44.884 45.100 -0.001 0.000 0.993 270 G HN 0.335 nan 8.290 nan 0.000 0.542 271 E N -0.560 119.664 120.200 0.040 0.000 2.390 271 E HA 0.335 4.683 4.350 -0.003 0.000 0.277 271 E C -2.750 173.939 176.600 0.149 0.000 0.939 271 E CA -1.938 54.530 56.400 0.114 0.000 0.769 271 E CB 2.770 32.582 29.700 0.186 0.000 1.251 271 E HN -0.102 nan 8.360 nan 0.000 0.450 272 P HA -0.005 nan 4.420 nan 0.000 0.265 272 P C -1.050 176.406 177.300 0.260 0.000 1.187 272 P CA 0.197 63.393 63.100 0.159 0.000 0.766 272 P CB 0.498 32.267 31.700 0.115 0.000 0.820 273 A N 3.038 125.983 122.820 0.208 0.000 2.386 273 A HA 0.091 4.409 4.320 -0.003 0.000 0.246 273 A C 1.588 179.320 177.584 0.247 0.000 1.089 273 A CA -0.318 51.878 52.037 0.265 0.000 0.790 273 A CB -0.514 18.592 19.000 0.177 0.000 1.042 273 A HN 0.750 nan 8.150 nan 0.000 0.497 274 L N 0.906 122.297 121.223 0.280 0.000 2.013 274 L HA -0.225 4.114 4.340 -0.003 0.000 0.212 274 L C 2.337 179.279 176.870 0.120 0.000 1.073 274 L CA 2.557 57.456 54.840 0.098 0.000 0.753 274 L CB -0.429 41.747 42.059 0.194 0.000 0.890 274 L HN 0.879 nan 8.230 nan 0.000 0.432 275 I N -3.309 117.395 120.570 0.224 0.000 2.394 275 I HA -0.205 3.963 4.170 -0.003 0.000 0.251 275 I C 1.750 177.943 176.117 0.126 0.000 1.136 275 I CA 1.416 62.850 61.300 0.223 0.000 1.425 275 I CB -0.629 37.571 38.000 0.334 0.000 1.079 275 I HN 0.159 nan 8.210 nan 0.000 0.425 276 D N 1.401 121.873 120.400 0.120 0.000 2.117 276 D HA -0.181 4.458 4.640 -0.003 0.000 0.197 276 D C 2.230 178.547 176.300 0.028 0.000 0.987 276 D CA 1.030 55.076 54.000 0.075 0.000 0.829 276 D CB -0.465 40.391 40.800 0.092 0.000 0.961 276 D HN 0.344 nan 8.370 nan 0.000 0.460 277 R N 1.083 121.581 120.500 -0.003 0.000 2.075 277 R HA -0.026 4.312 4.340 -0.003 0.000 0.232 277 R C 1.970 178.234 176.300 -0.061 0.000 1.126 277 R CA 1.405 57.471 56.100 -0.058 0.000 0.963 277 R CB -0.444 29.759 30.300 -0.163 0.000 0.858 277 R HN 0.130 nan 8.270 nan 0.000 0.435 278 A N 1.229 124.023 122.820 -0.043 0.000 1.902 278 A HA -0.102 4.217 4.320 -0.003 0.000 0.217 278 A C 2.448 179.981 177.584 -0.084 0.000 1.181 278 A CA 1.157 53.139 52.037 -0.092 0.000 0.623 278 A CB -0.523 18.453 19.000 -0.041 0.000 0.818 278 A HN 0.335 nan 8.150 nan 0.000 0.443 279 L N -0.558 120.647 121.223 -0.031 0.000 2.093 279 L HA -0.179 4.159 4.340 -0.003 0.000 0.208 279 L C 2.049 178.898 176.870 -0.034 0.000 1.085 279 L CA 1.286 56.108 54.840 -0.029 0.000 0.755 279 L CB -0.604 41.450 42.059 -0.008 0.000 0.904 279 L HN 0.281 nan 8.230 nan 0.000 0.435 280 D N -0.081 120.301 120.400 -0.029 0.000 2.117 280 D HA -0.222 4.417 4.640 -0.003 0.000 0.197 280 D C 2.072 178.347 176.300 -0.041 0.000 0.987 280 D CA 1.166 55.149 54.000 -0.028 0.000 0.829 280 D CB 0.056 40.844 40.800 -0.020 0.000 0.961 280 D HN 0.337 nan 8.370 nan 0.000 0.460 281 E N 0.161 120.324 120.200 -0.062 0.000 2.072 281 E HA -0.115 4.233 4.350 -0.003 0.000 0.191 281 E C 2.014 178.569 176.600 -0.075 0.000 0.985 281 E CA 1.015 57.369 56.400 -0.076 0.000 0.801 281 E CB -0.001 29.630 29.700 -0.115 0.000 0.750 281 E HN 0.188 nan 8.360 nan 0.000 0.452 282 A N 0.897 123.667 122.820 -0.083 0.000 1.908 282 A HA -0.200 4.118 4.320 -0.003 0.000 0.218 282 A C 2.092 179.649 177.584 -0.045 0.000 1.181 282 A CA 1.518 53.514 52.037 -0.070 0.000 0.627 282 A CB -0.413 18.546 19.000 -0.069 0.000 0.818 282 A HN 0.141 nan 8.150 nan 0.000 0.445 283 R N -0.852 119.625 120.500 -0.038 0.000 2.115 283 R HA 0.030 4.368 4.340 -0.003 0.000 0.226 283 R C 2.386 178.672 176.300 -0.024 0.000 1.100 283 R CA 0.962 57.046 56.100 -0.027 0.000 0.980 283 R CB -0.321 29.966 30.300 -0.022 0.000 0.875 283 R HN 0.515 nan 8.270 nan 0.000 0.445 284 A N 0.407 123.211 122.820 -0.027 0.000 1.968 284 A HA -0.051 4.267 4.320 -0.003 0.000 0.217 284 A C 2.172 179.743 177.584 -0.021 0.000 1.169 284 A CA 1.009 53.032 52.037 -0.023 0.000 0.638 284 A CB -0.049 18.936 19.000 -0.024 0.000 0.812 284 A HN 0.090 nan 8.150 nan 0.000 0.446 285 V N -1.180 118.718 119.914 -0.026 0.000 2.426 285 V HA 0.393 4.511 4.120 -0.003 0.000 0.242 285 V C 1.253 177.338 176.094 -0.016 0.000 1.036 285 V CA 1.113 63.401 62.300 -0.020 0.000 1.044 285 V CB -1.006 30.802 31.823 -0.024 0.000 0.688 285 V HN 1.172 nan 8.190 nan 0.000 0.462 286 G N 0.208 108.996 108.800 -0.020 0.000 3.014 286 G HA2 -0.045 3.913 3.960 -0.003 0.000 0.683 286 G HA3 -0.045 3.913 3.960 -0.003 0.000 0.683 286 G C 0.184 175.072 174.900 -0.019 0.000 1.271 286 G CA -0.064 45.026 45.100 -0.017 0.000 0.843 286 G HN 0.403 nan 8.290 nan 0.000 0.612 287 T N -0.871 113.671 114.554 -0.021 0.000 3.160 287 T HA 0.117 4.465 4.350 -0.003 0.000 0.257 287 T C 1.754 176.442 174.700 -0.020 0.000 1.147 287 T CA 0.985 63.071 62.100 -0.023 0.000 1.064 287 T CB 0.062 68.915 68.868 -0.024 0.000 0.949 287 T HN 0.560 nan 8.240 nan 0.000 0.526 288 R N 1.016 121.506 120.500 -0.017 0.000 2.254 288 R HA 0.129 4.467 4.340 -0.003 0.000 0.195 288 R C 0.687 176.976 176.300 -0.019 0.000 0.957 288 R CA 0.009 56.099 56.100 -0.018 0.000 1.024 288 R CB 0.009 30.299 30.300 -0.015 0.000 0.952 288 R HN 0.509 nan 8.270 nan 0.000 0.484 289 D N 1.638 122.030 120.400 -0.013 0.000 2.451 289 D HA -0.111 4.528 4.640 -0.003 0.000 0.254 289 D C 0.749 177.035 176.300 -0.024 0.000 1.204 289 D CA 0.329 54.326 54.000 -0.005 0.000 0.896 289 D CB 1.159 41.968 40.800 0.015 0.000 1.136 289 D HN -0.006 nan 8.370 nan 0.000 0.499 290 E N 3.341 123.499 120.200 -0.069 0.000 2.153 290 E HA -0.213 4.135 4.350 -0.003 0.000 0.194 290 E C 1.239 177.744 176.600 -0.158 0.000 0.988 290 E CA 1.640 57.959 56.400 -0.135 0.000 0.811 290 E CB -0.087 29.492 29.700 -0.201 0.000 0.746 290 E HN 0.681 nan 8.360 nan 0.000 0.466 291 H N -1.394 117.673 119.070 -0.006 0.000 2.363 291 H HA -0.009 4.545 4.556 -0.003 0.000 0.301 291 H C 2.072 177.385 175.328 -0.025 0.000 1.074 291 H CA 1.337 57.383 56.048 -0.005 0.000 1.354 291 H CB 0.096 29.856 29.762 -0.004 0.000 1.397 291 H HN -0.003 nan 8.280 nan 0.000 0.516 292 V N 1.041 120.992 119.914 0.061 0.000 2.287 292 V HA -0.304 3.814 4.120 -0.003 0.000 0.248 292 V C 2.263 178.344 176.094 -0.022 0.000 1.053 292 V CA 1.979 64.267 62.300 -0.020 0.000 1.027 292 V CB -0.360 31.444 31.823 -0.032 0.000 0.646 292 V HN 0.421 nan 8.190 nan 0.000 0.447 293 R N 0.007 120.500 120.500 -0.012 0.000 2.081 293 R HA -0.144 4.195 4.340 -0.003 0.000 0.235 293 R C 2.434 178.743 176.300 0.015 0.000 1.131 293 R CA 1.474 57.569 56.100 -0.008 0.000 0.960 293 R CB -0.678 29.611 30.300 -0.019 0.000 0.856 293 R HN 0.550 nan 8.270 nan 0.000 0.436 294 A N 1.030 123.864 122.820 0.022 0.000 1.883 294 A HA -0.113 4.206 4.320 -0.003 0.000 0.217 294 A C 2.435 180.086 177.584 0.112 0.000 1.186 294 A CA 1.877 53.950 52.037 0.059 0.000 0.624 294 A CB -1.214 17.827 19.000 0.070 0.000 0.822 294 A HN 0.472 nan 8.150 nan 0.000 0.444 295 G N -0.259 108.608 108.800 0.111 0.000 2.421 295 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.216 295 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.216 295 G C 1.566 176.575 174.900 0.182 0.000 1.171 295 G CA 1.044 46.251 45.100 0.178 0.000 0.775 295 G HN 0.429 nan 8.290 nan 0.000 0.543 296 L N 0.413 121.671 121.223 0.059 0.000 2.083 296 L HA -0.078 4.260 4.340 -0.003 0.000 0.209 296 L C 3.187 180.124 176.870 0.111 0.000 1.083 296 L CA 1.473 56.359 54.840 0.077 0.000 0.752 296 L CB -0.775 41.294 42.059 0.016 0.000 0.899 296 L HN 0.179 nan 8.230 nan 0.000 0.433 297 T N -0.012 114.596 114.554 0.090 0.000 2.708 297 T HA -0.178 4.171 4.350 -0.003 0.000 0.266 297 T C 2.044 176.812 174.700 0.114 0.000 1.037 297 T CA 1.361 63.511 62.100 0.084 0.000 1.146 297 T CB -0.241 68.662 68.868 0.058 0.000 0.865 297 T HN 0.450 nan 8.240 nan 0.000 0.435 298 A N 1.203 124.107 122.820 0.141 0.000 1.908 298 A HA -0.048 4.271 4.320 -0.003 0.000 0.218 298 A C 2.235 179.915 177.584 0.161 0.000 1.181 298 A CA 1.313 53.435 52.037 0.142 0.000 0.627 298 A CB -0.834 18.265 19.000 0.165 0.000 0.818 298 A HN 0.391 nan 8.150 nan 0.000 0.445 299 L N 0.022 121.389 121.223 0.241 0.000 2.046 299 L HA -0.131 4.207 4.340 -0.003 0.000 0.208 299 L C 2.280 179.345 176.870 0.326 0.000 1.077 299 L CA 2.478 57.489 54.840 0.285 0.000 0.747 299 L CB -0.625 41.664 42.059 0.383 0.000 0.896 299 L HN 0.601 nan 8.230 nan 0.000 0.432 300 E N -0.768 119.589 120.200 0.260 0.000 2.153 300 E HA -0.246 4.102 4.350 -0.003 0.000 0.194 300 E C 2.251 178.978 176.600 0.212 0.000 0.988 300 E CA 0.903 57.450 56.400 0.243 0.000 0.811 300 E CB 0.034 29.808 29.700 0.122 0.000 0.746 300 E HN 0.484 nan 8.360 nan 0.000 0.466 301 R N -0.142 120.445 120.500 0.145 0.000 2.115 301 R HA -0.095 4.244 4.340 -0.003 0.000 0.230 301 R C 2.417 178.761 176.300 0.073 0.000 1.111 301 R CA 1.086 57.244 56.100 0.097 0.000 0.976 301 R CB -0.122 30.220 30.300 0.069 0.000 0.870 301 R HN 0.113 nan 8.270 nan 0.000 0.445 302 V N 0.538 120.484 119.914 0.053 0.000 2.295 302 V HA -0.242 3.877 4.120 -0.003 0.000 0.246 302 V C 1.917 177.942 176.094 -0.115 0.000 1.049 302 V CA 1.778 64.040 62.300 -0.063 0.000 1.024 302 V CB -0.531 31.203 31.823 -0.149 0.000 0.648 302 V HN 0.146 nan 8.190 nan 0.000 0.447 303 F N 0.529 120.498 119.950 0.030 0.000 2.171 303 F HA -0.145 4.378 4.527 -0.005 0.000 0.300 303 F C 2.416 178.208 175.800 -0.014 0.000 1.090 303 F CA 2.022 60.019 58.000 -0.005 0.000 1.293 303 F CB -0.457 38.520 39.000 -0.038 0.000 1.013 303 F HN 0.044 nan 8.300 nan 0.000 0.486 304 K N 0.280 120.780 120.400 0.167 0.000 2.009 304 K HA -0.194 4.125 4.320 -0.003 0.000 0.210 304 K C 2.243 178.882 176.600 0.065 0.000 1.049 304 K CA 1.657 58.003 56.287 0.100 0.000 0.929 304 K CB -0.652 31.898 32.500 0.084 0.000 0.714 304 K HN 0.160 nan 8.250 nan 0.000 0.440 305 V N 1.424 121.368 119.914 0.049 0.000 2.427 305 V HA -0.189 3.930 4.120 -0.003 0.000 0.248 305 V C 2.115 178.246 176.094 0.062 0.000 1.051 305 V CA 1.420 63.745 62.300 0.042 0.000 1.048 305 V CB -0.205 31.631 31.823 0.021 0.000 0.666 305 V HN 0.357 nan 8.190 nan 0.000 0.456 306 L N -0.760 120.487 121.223 0.041 0.000 2.042 306 L HA -0.216 4.122 4.340 -0.003 0.000 0.210 306 L C 2.394 179.335 176.870 0.118 0.000 1.076 306 L CA 1.835 56.727 54.840 0.086 0.000 0.749 306 L CB -0.468 41.615 42.059 0.041 0.000 0.893 306 L HN 0.323 nan 8.230 nan 0.000 0.432 307 L N -0.953 120.289 121.223 0.032 0.000 2.217 307 L HA -0.142 4.197 4.340 -0.003 0.000 0.211 307 L C 2.622 179.482 176.870 -0.016 0.000 1.107 307 L CA 0.908 55.711 54.840 -0.062 0.000 0.783 307 L CB -0.379 41.597 42.059 -0.139 0.000 0.919 307 L HN 0.165 nan 8.230 nan 0.000 0.442 308 R N -0.979 119.545 120.500 0.039 0.000 2.235 308 R HA -0.129 4.209 4.340 -0.003 0.000 0.213 308 R C 2.072 178.418 176.300 0.078 0.000 1.059 308 R CA 1.028 57.153 56.100 0.041 0.000 0.997 308 R CB -0.163 30.166 30.300 0.048 0.000 0.884 308 R HN 0.268 nan 8.270 nan 0.000 0.462 309 F N 1.077 121.019 119.950 -0.013 0.000 2.123 309 F HA -0.007 4.525 4.527 0.008 0.000 0.289 309 F C 2.384 178.194 175.800 0.017 0.000 1.099 309 F CA 1.146 59.145 58.000 -0.001 0.000 1.234 309 F CB -0.184 38.804 39.000 -0.020 0.000 1.034 309 F HN -0.295 nan 8.300 nan 0.000 0.479 310 R N 0.384 120.689 120.500 -0.325 0.000 2.073 310 R HA -0.011 4.328 4.340 -0.003 0.000 0.229 310 R C 2.315 178.439 176.300 -0.294 0.000 1.120 310 R CA 1.273 57.095 56.100 -0.464 0.000 0.967 310 R CB -0.612 29.625 30.300 -0.105 0.000 0.862 310 R HN 0.409 nan 8.270 nan 0.000 0.436 311 A N 1.225 123.933 122.820 -0.186 0.000 1.855 311 A HA -0.006 4.312 4.320 -0.003 0.000 0.215 311 A C -0.475 177.033 177.584 -0.126 0.000 1.191 311 A CA 0.908 52.880 52.037 -0.110 0.000 0.613 311 A CB -1.337 17.640 19.000 -0.039 0.000 0.829 311 A HN 0.321 nan 8.150 nan 0.000 0.442 312 P HA -0.182 nan 4.420 nan 0.000 0.217 312 P C 1.516 178.717 177.300 -0.165 0.000 1.150 312 P CA 1.380 64.380 63.100 -0.166 0.000 0.832 312 P CB -0.289 31.320 31.700 -0.153 0.000 0.787 313 H N -0.036 118.823 119.070 -0.352 0.000 2.352 313 H HA -0.135 4.422 4.556 0.001 0.000 0.299 313 H C 1.807 177.010 175.328 -0.209 0.000 1.097 313 H CA 1.264 57.100 56.048 -0.354 0.000 1.311 313 H CB -0.565 28.748 29.762 -0.749 0.000 1.377 313 H HN -0.050 nan 8.280 nan 0.000 0.504 314 L N 1.721 122.818 121.223 -0.210 0.000 2.042 314 L HA -0.153 4.185 4.340 -0.003 0.000 0.210 314 L C 2.398 179.173 176.870 -0.158 0.000 1.076 314 L CA 1.731 56.465 54.840 -0.178 0.000 0.749 314 L CB -0.559 41.450 42.059 -0.083 0.000 0.893 314 L HN 0.101 nan 8.230 nan 0.000 0.432 315 K N -0.932 119.399 120.400 -0.116 0.000 2.057 315 K HA -0.191 4.127 4.320 -0.003 0.000 0.207 315 K C 2.049 178.657 176.600 0.013 0.000 1.049 315 K CA 1.560 57.817 56.287 -0.049 0.000 0.931 315 K CB -0.523 31.937 32.500 -0.066 0.000 0.714 315 K HN 0.261 nan 8.250 nan 0.000 0.440 316 L N 1.369 122.588 121.223 -0.007 0.000 1.971 316 L HA -0.247 4.091 4.340 -0.003 0.000 0.215 316 L C 2.270 179.088 176.870 -0.087 0.000 1.072 316 L CA 2.195 57.056 54.840 0.034 0.000 0.758 316 L CB -0.773 41.268 42.059 -0.029 0.000 0.889 316 L HN 0.162 nan 8.230 nan 0.000 0.433 317 A N -1.063 121.614 122.820 -0.239 0.000 1.908 317 A HA -0.255 4.063 4.320 -0.003 0.000 0.218 317 A C 2.181 179.791 177.584 0.042 0.000 1.181 317 A CA 1.961 53.907 52.037 -0.153 0.000 0.627 317 A CB -0.740 18.061 19.000 -0.332 0.000 0.818 317 A HN 0.651 nan 8.150 nan 0.000 0.445 318 E N -1.003 119.190 120.200 -0.010 0.000 2.077 318 E HA -0.202 4.146 4.350 -0.003 0.000 0.193 318 E C 2.317 178.961 176.600 0.073 0.000 0.989 318 E CA 1.108 57.534 56.400 0.044 0.000 0.800 318 E CB -0.155 29.552 29.700 0.011 0.000 0.746 318 E HN 0.599 nan 8.360 nan 0.000 0.452 319 R N 0.548 121.079 120.500 0.050 0.000 2.081 319 R HA -0.135 4.203 4.340 -0.003 0.000 0.235 319 R C 2.219 178.527 176.300 0.014 0.000 1.131 319 R CA 1.264 57.380 56.100 0.026 0.000 0.960 319 R CB -0.140 30.169 30.300 0.015 0.000 0.856 319 R HN 0.130 nan 8.270 nan 0.000 0.436 320 A N -0.112 122.740 122.820 0.054 0.000 1.873 320 A HA -0.161 4.157 4.320 -0.003 0.000 0.215 320 A C 1.734 179.296 177.584 -0.037 0.000 1.186 320 A CA 1.134 53.212 52.037 0.068 0.000 0.616 320 A CB -0.715 18.349 19.000 0.107 0.000 0.823 320 A HN 0.468 nan 8.150 nan 0.000 0.442 321 Y N -0.373 119.921 120.300 -0.011 0.000 2.561 321 Y HA 0.009 4.554 4.550 -0.008 0.000 0.291 321 Y C 2.229 177.993 175.900 -0.226 0.000 1.141 321 Y CA 1.078 59.117 58.100 -0.102 0.000 1.303 321 Y CB -0.103 38.396 38.460 0.065 0.000 1.015 321 Y HN 0.447 nan 8.280 nan 0.000 0.547 322 E N 0.357 120.529 120.200 -0.046 0.000 2.204 322 E HA -0.063 4.285 4.350 -0.003 0.000 0.194 322 E C 0.829 177.321 176.600 -0.180 0.000 0.989 322 E CA 0.387 56.743 56.400 -0.074 0.000 0.824 322 E CB -0.207 29.476 29.700 -0.029 0.000 0.756 322 E HN 0.099 nan 8.360 nan 0.000 0.477 336 A N 3.757 126.536 122.820 -0.069 0.000 2.445 336 A HA 0.599 4.918 4.320 -0.003 0.000 0.242 336 A C -2.219 175.317 177.584 -0.080 0.000 1.075 336 A CA -1.138 50.709 52.037 -0.317 0.000 0.777 336 A CB -0.522 18.340 19.000 -0.231 0.000 1.013 336 A HN 0.583 nan 8.150 nan 0.000 0.493 337 P HA 0.092 nan 4.420 nan 0.000 0.272 337 P C 0.762 178.077 177.300 0.024 0.000 1.223 337 P CA -0.102 62.991 63.100 -0.012 0.000 0.784 337 P CB 1.155 32.836 31.700 -0.033 0.000 0.923 338 S N 1.826 117.565 115.700 0.065 0.000 2.399 338 S HA -0.151 4.318 4.470 -0.003 0.000 0.231 338 S C 1.791 176.401 174.600 0.017 0.000 1.022 338 S CA 0.775 59.003 58.200 0.046 0.000 0.983 338 S CB -0.816 62.419 63.200 0.059 0.000 0.803 338 S HN 0.444 nan 8.310 nan 0.000 0.480 339 M N 1.157 120.760 119.600 0.006 0.000 2.116 339 M HA -0.174 4.304 4.480 -0.003 0.000 0.255 339 M C 1.759 178.004 176.300 -0.092 0.000 1.075 339 M CA 1.731 57.005 55.300 -0.044 0.000 1.087 339 M CB -1.093 31.461 32.600 -0.077 0.000 1.340 339 M HN 0.434 nan 8.290 nan 0.000 0.402 340 L N -0.725 120.452 121.223 -0.077 0.000 1.970 340 L HA -0.171 4.167 4.340 -0.003 0.000 0.212 340 L C 2.683 179.531 176.870 -0.036 0.000 1.071 340 L CA 1.667 56.469 54.840 -0.063 0.000 0.751 340 L CB -1.639 40.398 42.059 -0.037 0.000 0.889 340 L HN 0.441 nan 8.230 nan 0.000 0.432 341 G N -0.744 108.046 108.800 -0.017 0.000 2.422 341 G HA2 -0.230 3.729 3.960 -0.003 0.000 0.218 341 G HA3 -0.230 3.729 3.960 -0.003 0.000 0.218 341 G C 1.419 176.326 174.900 0.011 0.000 1.146 341 G CA 0.605 45.707 45.100 0.003 0.000 0.769 341 G HN 0.423 nan 8.290 nan 0.000 0.547 342 E N -0.407 119.798 120.200 0.009 0.000 2.051 342 E HA -0.113 4.235 4.350 -0.003 0.000 0.192 342 E C 2.385 178.993 176.600 0.014 0.000 0.991 342 E CA 0.824 57.238 56.400 0.024 0.000 0.799 342 E CB -0.188 29.539 29.700 0.044 0.000 0.748 342 E HN 0.337 nan 8.360 nan 0.000 0.449 343 L N 1.065 122.285 121.223 -0.005 0.000 2.046 343 L HA -0.138 4.201 4.340 -0.003 0.000 0.208 343 L C 2.188 179.047 176.870 -0.019 0.000 1.077 343 L CA 1.215 56.059 54.840 0.007 0.000 0.747 343 L CB -0.489 41.557 42.059 -0.021 0.000 0.896 343 L HN 0.130 nan 8.230 nan 0.000 0.432 344 L N -0.895 120.307 121.223 -0.036 0.000 2.012 344 L HA -0.208 4.130 4.340 -0.003 0.000 0.210 344 L C 2.313 179.138 176.870 -0.075 0.000 1.073 344 L CA 2.538 57.322 54.840 -0.093 0.000 0.748 344 L CB -1.179 40.855 42.059 -0.042 0.000 0.891 344 L HN 0.341 nan 8.230 nan 0.000 0.431 345 T N -0.139 114.440 114.554 0.042 0.000 2.746 345 T HA -0.165 4.184 4.350 -0.003 0.000 0.267 345 T C 1.986 176.677 174.700 -0.015 0.000 1.039 345 T CA 1.745 63.908 62.100 0.105 0.000 1.142 345 T CB -0.356 68.550 68.868 0.062 0.000 0.866 345 T HN 0.306 nan 8.240 nan 0.000 0.444 346 L N 0.810 121.970 121.223 -0.105 0.000 2.083 346 L HA -0.116 4.222 4.340 -0.003 0.000 0.209 346 L C 2.873 179.403 176.870 -0.568 0.000 1.083 346 L CA 1.148 55.839 54.840 -0.248 0.000 0.752 346 L CB -0.985 40.961 42.059 -0.188 0.000 0.899 346 L HN 0.314 nan 8.230 nan 0.000 0.433 347 T N -1.491 112.751 114.554 -0.519 0.000 2.737 347 T HA -0.201 4.147 4.350 -0.003 0.000 0.265 347 T C 1.722 176.158 174.700 -0.440 0.000 1.038 347 T CA 1.269 63.001 62.100 -0.613 0.000 1.144 347 T CB -0.430 68.239 68.868 -0.332 0.000 0.866 347 T HN 0.257 nan 8.240 nan 0.000 0.434 348 Y N 1.506 121.659 120.300 -0.245 0.000 2.114 348 Y HA -0.171 4.373 4.550 -0.010 0.000 0.282 348 Y C 2.887 178.626 175.900 -0.268 0.000 1.165 348 Y CA 0.779 58.755 58.100 -0.206 0.000 1.148 348 Y CB -0.413 37.964 38.460 -0.138 0.000 0.972 348 Y HN 0.213 nan 8.280 nan 0.000 0.504 349 A N 0.044 122.792 122.820 -0.120 0.000 1.902 349 A HA -0.185 4.134 4.320 -0.003 0.000 0.217 349 A C 2.383 179.796 177.584 -0.284 0.000 1.181 349 A CA 1.740 53.677 52.037 -0.167 0.000 0.623 349 A CB -1.208 17.710 19.000 -0.137 0.000 0.818 349 A HN 0.445 nan 8.150 nan 0.000 0.443 350 A N -0.306 122.230 122.820 -0.473 0.000 1.877 350 A HA -0.172 4.147 4.320 -0.003 0.000 0.216 350 A C 2.260 179.318 177.584 -0.877 0.000 1.186 350 A CA 1.772 53.437 52.037 -0.619 0.000 0.620 350 A CB -0.529 17.957 19.000 -0.856 0.000 0.822 350 A HN 0.556 nan 8.150 nan 0.000 0.443 351 R N -0.158 119.776 120.500 -0.945 0.000 2.091 351 R HA -0.119 4.219 4.340 -0.003 0.000 0.238 351 R C 2.255 178.311 176.300 -0.407 0.000 1.136 351 R CA 1.819 57.432 56.100 -0.812 0.000 0.959 351 R CB -0.344 29.748 30.300 -0.347 0.000 0.856 351 R HN 0.470 nan 8.270 nan 0.000 0.437 352 S N 0.325 115.864 115.700 -0.269 0.000 2.400 352 S HA -0.114 4.355 4.470 -0.003 0.000 0.232 352 S C 1.765 176.268 174.600 -0.161 0.000 1.025 352 S CA 1.225 59.326 58.200 -0.165 0.000 0.993 352 S CB -0.189 62.938 63.200 -0.121 0.000 0.808 352 S HN 0.413 nan 8.310 nan 0.000 0.478 353 R N 0.428 120.807 120.500 -0.202 0.000 2.081 353 R HA -0.057 4.281 4.340 -0.003 0.000 0.235 353 R C 2.218 178.440 176.300 -0.131 0.000 1.131 353 R CA 1.355 57.368 56.100 -0.146 0.000 0.960 353 R CB -0.641 29.578 30.300 -0.135 0.000 0.856 353 R HN 0.284 nan 8.270 nan 0.000 0.436 354 V N 0.982 120.783 119.914 -0.189 0.000 2.307 354 V HA -0.244 3.874 4.120 -0.003 0.000 0.245 354 V C 2.267 178.316 176.094 -0.075 0.000 1.045 354 V CA 1.750 63.982 62.300 -0.114 0.000 1.024 354 V CB -0.514 31.238 31.823 -0.119 0.000 0.651 354 V HN 0.299 nan 8.190 nan 0.000 0.449 355 R N 0.374 120.819 120.500 -0.092 0.000 2.105 355 R HA -0.147 4.192 4.340 -0.003 0.000 0.239 355 R C 2.415 178.685 176.300 -0.049 0.000 1.135 355 R CA 1.470 57.536 56.100 -0.057 0.000 0.967 355 R CB -0.656 29.609 30.300 -0.059 0.000 0.861 355 R HN 0.547 nan 8.270 nan 0.000 0.442 356 A N 1.246 124.030 122.820 -0.060 0.000 1.933 356 A HA -0.116 4.203 4.320 -0.003 0.000 0.218 356 A C 2.362 179.923 177.584 -0.038 0.000 1.175 356 A CA 1.664 53.672 52.037 -0.048 0.000 0.628 356 A CB -0.585 18.384 19.000 -0.052 0.000 0.814 356 A HN 0.402 nan 8.150 nan 0.000 0.444 357 A N -0.577 122.220 122.820 -0.039 0.000 1.969 357 A HA 0.063 4.381 4.320 -0.003 0.000 0.218 357 A C 1.981 179.550 177.584 -0.026 0.000 1.169 357 A CA 1.295 53.313 52.037 -0.031 0.000 0.635 357 A CB -0.447 18.534 19.000 -0.032 0.000 0.810 357 A HN 0.462 nan 8.150 nan 0.000 0.445 358 L N -0.362 120.847 121.223 -0.024 0.000 2.554 358 L HA 0.030 4.368 4.340 -0.003 0.000 0.226 358 L C 0.446 177.304 176.870 -0.018 0.000 1.137 358 L CA -0.144 54.685 54.840 -0.017 0.000 0.863 358 L CB -0.399 41.654 42.059 -0.010 0.000 0.985 358 L HN 0.348 nan 8.230 nan 0.000 0.451 359 D N 0.465 120.851 120.400 -0.022 0.000 2.458 359 D HA -0.076 4.562 4.640 -0.003 0.000 0.243 359 D C 0.794 177.082 176.300 -0.019 0.000 1.146 359 D CA 0.433 54.420 54.000 -0.021 0.000 0.877 359 D CB 0.725 41.511 40.800 -0.024 0.000 1.176 359 D HN 0.122 nan 8.370 nan 0.000 0.461 360 E N 1.385 121.575 120.200 -0.017 0.000 2.476 360 E HA 0.092 4.440 4.350 -0.003 0.000 0.196 360 E C -0.035 176.556 176.600 -0.015 0.000 1.029 360 E CA -0.187 56.204 56.400 -0.015 0.000 0.896 360 E CB 0.632 30.323 29.700 -0.014 0.000 1.012 360 E HN 0.288 nan 8.360 nan 0.000 0.475 361 S N 0.000 115.691 115.700 -0.016 0.000 2.498 361 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 361 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 361 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 361 S HN 0.000 nan 8.310 nan 0.000 0.517