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 1u16_1_A DATA FIRST_RESID 16 DATA SEQUENCE STDPIMEKLN SSIAYDQRLS EVDIQASIAY AKALEKAGIL TKTELEKILS DATA SEQUENCE GLEKISEEWS KGVFVVKQSD EDIHTANERR LKELIGDIAG KLHTGRSRNE DATA SEQUENCE QVVTDLKLFM KNSLSIISTH LLQLIKTLVE RAAIEIDVIL PGYTHLQKAQ DATA SEQUENCE PIRWSQFLLS HAVALTRDSE RLGEVKKRIN VLPLGSGALA GNPLDIDREM DATA SEQUENCE LRSELEFASI SLNSMDAISE RDFVVEFLSV ATLLLIHLSK MAEDLIIYST DATA SEQUENCE SEFGFLTLSD AFSTGSSLMP QKKNPDSLEL IRSKAGRVFG RLASILMVLK DATA SEQUENCE GLPSTYNKDL QEDKEAVIDV VDTLTAVLQV ATGVISTLQI SKENMEKALT DATA SEQUENCE PEMLATDLAL YLVRKGMPFR QAHTASGKAV HLAETKGIAI NNLTLEDLKS DATA SEQUENCE ISPLFSSDVS QVFNFVNSVE QYTALGGTAK SSVTTQIEQL RELMKKQKE 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 16 S HA 0.000 nan 4.470 nan 0.000 0.327 16 S C 0.000 174.606 174.600 0.010 0.000 1.055 16 S CA 0.000 58.206 58.200 0.010 0.000 1.107 16 S CB 0.000 63.206 63.200 0.010 0.000 0.593 17 T N 3.802 118.363 114.554 0.012 0.000 2.905 17 T HA 0.112 4.463 4.350 0.001 0.000 0.299 17 T C -0.247 174.460 174.700 0.012 0.000 1.024 17 T CA 0.525 62.633 62.100 0.012 0.000 1.151 17 T CB 0.045 68.922 68.868 0.015 0.000 0.987 17 T HN 0.358 nan 8.240 nan 0.000 0.535 18 D N 4.797 125.203 120.400 0.010 0.000 2.531 18 D HA 0.005 4.646 4.640 0.001 0.000 0.239 18 D C -0.662 175.645 176.300 0.011 0.000 1.144 18 D CA -1.417 52.588 54.000 0.009 0.000 0.869 18 D CB 0.870 41.674 40.800 0.008 0.000 1.160 18 D HN 0.171 nan 8.370 nan 0.000 0.484 19 P HA -0.201 nan 4.420 nan 0.000 0.215 19 P C 1.566 178.874 177.300 0.012 0.000 1.153 19 P CA 1.272 64.379 63.100 0.012 0.000 0.853 19 P CB 0.125 31.831 31.700 0.011 0.000 0.788 20 I N -1.018 119.558 120.570 0.010 0.000 2.252 20 I HA -0.182 3.988 4.170 0.001 0.000 0.245 20 I C 2.892 179.015 176.117 0.011 0.000 1.102 20 I CA 1.249 62.555 61.300 0.010 0.000 1.385 20 I CB -0.554 37.450 38.000 0.008 0.000 1.064 20 I HN -0.096 nan 8.210 nan 0.000 0.414 21 M N 0.580 120.186 119.600 0.010 0.000 2.175 21 M HA -0.228 4.252 4.480 0.001 0.000 0.264 21 M C 2.209 178.518 176.300 0.015 0.000 1.063 21 M CA 1.808 57.114 55.300 0.011 0.000 1.119 21 M CB -0.223 32.383 32.600 0.010 0.000 1.377 21 M HN 0.212 nan 8.290 nan 0.000 0.415 22 E N 0.246 120.456 120.200 0.017 0.000 2.110 22 E HA -0.277 4.074 4.350 0.001 0.000 0.193 22 E C 1.868 178.482 176.600 0.023 0.000 0.988 22 E CA 1.393 57.806 56.400 0.021 0.000 0.804 22 E CB 0.091 29.804 29.700 0.021 0.000 0.745 22 E HN 0.290 nan 8.360 nan 0.000 0.458 23 K N 0.633 121.046 120.400 0.021 0.000 2.057 23 K HA -0.134 4.187 4.320 0.001 0.000 0.206 23 K C 1.989 178.603 176.600 0.023 0.000 1.050 23 K CA 0.910 57.211 56.287 0.023 0.000 0.935 23 K CB -0.469 32.043 32.500 0.020 0.000 0.715 23 K HN 0.179 nan 8.250 nan 0.000 0.439 24 L N 1.008 122.242 121.223 0.018 0.000 2.275 24 L HA -0.011 4.329 4.340 0.001 0.000 0.215 24 L C 1.536 178.417 176.870 0.017 0.000 1.119 24 L CA 1.614 56.463 54.840 0.015 0.000 0.790 24 L CB -0.581 41.483 42.059 0.009 0.000 0.919 24 L HN 0.291 nan 8.230 nan 0.000 0.443 25 N N -1.176 117.537 118.700 0.021 0.000 2.424 25 N HA -0.024 4.716 4.740 0.001 0.000 0.178 25 N C 0.468 175.998 175.510 0.034 0.000 1.060 25 N CA 0.427 53.492 53.050 0.026 0.000 0.901 25 N CB 0.071 38.574 38.487 0.027 0.000 0.979 25 N HN 0.290 nan 8.380 nan 0.000 0.451 26 S N -0.430 115.291 115.700 0.035 0.000 2.510 26 S HA 0.189 4.659 4.470 0.001 0.000 0.279 26 S C 0.886 175.513 174.600 0.045 0.000 1.284 26 S CA -0.172 58.053 58.200 0.042 0.000 1.059 26 S CB 0.299 63.525 63.200 0.043 0.000 0.901 26 S HN 0.371 nan 8.310 nan 0.000 0.491 27 S N 4.282 120.008 115.700 0.045 0.000 2.730 27 S HA 0.140 4.611 4.470 0.001 0.000 0.244 27 S C 1.156 175.778 174.600 0.036 0.000 1.022 27 S CA -0.402 57.824 58.200 0.044 0.000 1.014 27 S CB -0.095 63.124 63.200 0.033 0.000 0.963 27 S HN 0.647 nan 8.310 nan 0.000 0.540 28 I N 2.883 123.473 120.570 0.034 0.000 2.394 28 I HA 0.103 4.274 4.170 0.001 0.000 0.251 28 I C 2.432 178.565 176.117 0.027 0.000 1.136 28 I CA 0.974 62.287 61.300 0.021 0.000 1.425 28 I CB -0.814 37.222 38.000 0.059 0.000 1.079 28 I HN 0.377 nan 8.210 nan 0.000 0.425 29 A N -0.245 122.601 122.820 0.043 0.000 1.884 29 A HA -0.300 4.020 4.320 0.001 0.000 0.219 29 A C 2.277 179.839 177.584 -0.037 0.000 1.197 29 A CA 2.405 54.449 52.037 0.011 0.000 0.637 29 A CB -1.244 17.769 19.000 0.022 0.000 0.827 29 A HN 0.529 nan 8.150 nan 0.000 0.450 30 Y N 0.155 120.424 120.300 -0.052 0.000 2.343 30 Y HA 0.005 4.555 4.550 0.000 0.000 0.294 30 Y C 1.697 177.506 175.900 -0.153 0.000 1.122 30 Y CA 1.113 59.162 58.100 -0.085 0.000 1.173 30 Y CB 0.059 38.473 38.460 -0.077 0.000 1.077 30 Y HN 0.563 nan 8.280 nan 0.000 0.542 31 D N -0.349 120.057 120.400 0.010 0.000 2.346 31 D HA -0.096 4.544 4.640 0.001 0.000 0.248 31 D C 0.959 177.095 176.300 -0.273 0.000 1.173 31 D CA 0.463 54.374 54.000 -0.148 0.000 0.878 31 D CB -0.460 40.254 40.800 -0.144 0.000 0.919 31 D HN 0.396 nan 8.370 nan 0.000 0.513 32 Q N -0.390 119.261 119.800 -0.248 0.000 2.389 32 Q HA 0.095 4.435 4.340 0.001 0.000 0.204 32 Q C 1.523 177.264 176.000 -0.432 0.000 0.944 32 Q CA 0.188 55.740 55.803 -0.419 0.000 0.908 32 Q CB 0.268 28.890 28.738 -0.194 0.000 1.002 32 Q HN 0.222 nan 8.270 nan 0.000 0.493 33 R N 0.287 120.618 120.500 -0.283 0.000 2.285 33 R HA -0.014 4.326 4.340 0.001 0.000 0.213 33 R C 1.250 177.393 176.300 -0.261 0.000 1.068 33 R CA 0.729 56.697 56.100 -0.222 0.000 1.004 33 R CB 0.018 30.186 30.300 -0.221 0.000 0.873 33 R HN 0.305 nan 8.270 nan 0.000 0.467 34 L N 0.128 121.134 121.223 -0.363 0.000 2.700 34 L HA 0.159 4.500 4.340 0.001 0.000 0.234 34 L C 1.565 178.198 176.870 -0.396 0.000 1.156 34 L CA -0.106 54.554 54.840 -0.300 0.000 0.946 34 L CB 0.216 42.099 42.059 -0.293 0.000 1.216 34 L HN -0.018 nan 8.230 nan 0.000 0.493 35 S N 0.755 116.082 115.700 -0.621 0.000 2.359 35 S HA -0.229 4.241 4.470 0.001 0.000 0.223 35 S C 1.877 176.159 174.600 -0.531 0.000 1.039 35 S CA 1.914 59.535 58.200 -0.966 0.000 1.042 35 S CB 0.033 62.170 63.200 -1.770 0.000 0.915 35 S HN 0.457 nan 8.310 nan 0.000 0.439 36 E N 1.237 121.252 120.200 -0.308 0.000 2.047 36 E HA -0.102 4.249 4.350 0.001 0.000 0.191 36 E C 2.077 178.637 176.600 -0.067 0.000 0.987 36 E CA 1.482 57.808 56.400 -0.124 0.000 0.799 36 E CB -0.448 29.222 29.700 -0.050 0.000 0.752 36 E HN 0.396 nan 8.360 nan 0.000 0.449 37 V N -0.619 119.266 119.914 -0.048 0.000 2.594 37 V HA -0.169 3.951 4.120 0.001 0.000 0.253 37 V C 2.000 178.096 176.094 0.003 0.000 1.069 37 V CA 2.255 64.556 62.300 0.003 0.000 1.082 37 V CB -0.753 31.100 31.823 0.049 0.000 0.680 37 V HN 0.162 nan 8.190 nan 0.000 0.469 38 D N 0.295 120.663 120.400 -0.053 0.000 2.144 38 D HA -0.119 4.521 4.640 0.001 0.000 0.200 38 D C 1.785 178.092 176.300 0.011 0.000 0.978 38 D CA 1.438 55.423 54.000 -0.025 0.000 0.833 38 D CB -0.109 40.617 40.800 -0.124 0.000 0.961 38 D HN 0.423 nan 8.370 nan 0.000 0.470 39 I N 0.721 121.289 120.570 -0.004 0.000 2.202 39 I HA -0.191 3.979 4.170 0.001 0.000 0.242 39 I C 2.425 178.579 176.117 0.061 0.000 1.091 39 I CA 1.129 62.459 61.300 0.050 0.000 1.368 39 I CB -0.637 37.404 38.000 0.068 0.000 1.058 39 I HN 0.141 nan 8.210 nan 0.000 0.410 40 Q N 0.309 120.136 119.800 0.046 0.000 2.112 40 Q HA -0.273 4.067 4.340 0.001 0.000 0.206 40 Q C 2.204 178.250 176.000 0.075 0.000 0.987 40 Q CA 2.171 58.007 55.803 0.055 0.000 0.858 40 Q CB -0.140 28.622 28.738 0.040 0.000 0.905 40 Q HN 0.573 nan 8.270 nan 0.000 0.420 41 A N -0.540 122.326 122.820 0.078 0.000 1.968 41 A HA -0.072 4.248 4.320 0.001 0.000 0.217 41 A C 2.191 179.840 177.584 0.109 0.000 1.169 41 A CA 1.371 53.463 52.037 0.092 0.000 0.638 41 A CB -0.313 18.730 19.000 0.072 0.000 0.812 41 A HN 0.353 nan 8.150 nan 0.000 0.446 42 S N -0.315 115.448 115.700 0.104 0.000 2.387 42 S HA -0.032 4.438 4.470 0.001 0.000 0.226 42 S C 1.793 176.486 174.600 0.154 0.000 1.026 42 S CA 1.075 59.358 58.200 0.138 0.000 0.972 42 S CB -0.394 62.882 63.200 0.125 0.000 0.814 42 S HN 0.538 nan 8.310 nan 0.000 0.477 43 I N 1.563 122.202 120.570 0.115 0.000 2.142 43 I HA -0.249 3.922 4.170 0.001 0.000 0.240 43 I C 2.672 178.846 176.117 0.094 0.000 1.078 43 I CA 1.207 62.564 61.300 0.094 0.000 1.343 43 I CB -0.456 37.589 38.000 0.074 0.000 1.046 43 I HN 0.270 nan 8.210 nan 0.000 0.405 44 A N -0.127 122.756 122.820 0.106 0.000 1.908 44 A HA -0.304 4.016 4.320 0.001 0.000 0.218 44 A C 2.277 179.933 177.584 0.120 0.000 1.181 44 A CA 1.730 53.828 52.037 0.101 0.000 0.627 44 A CB -1.083 17.985 19.000 0.113 0.000 0.818 44 A HN 0.521 nan 8.150 nan 0.000 0.445 45 Y N 0.400 120.716 120.300 0.027 0.000 2.293 45 Y HA 0.005 4.556 4.550 0.001 0.000 0.291 45 Y C 2.656 178.568 175.900 0.021 0.000 1.137 45 Y CA 0.750 58.862 58.100 0.020 0.000 1.202 45 Y CB -0.453 38.020 38.460 0.022 0.000 0.990 45 Y HN 0.324 nan 8.280 nan 0.000 0.537 46 A N 0.309 123.178 122.820 0.082 0.000 1.883 46 A HA -0.227 4.093 4.320 0.001 0.000 0.217 46 A C 2.210 179.758 177.584 -0.060 0.000 1.186 46 A CA 2.069 54.110 52.037 0.007 0.000 0.624 46 A CB -0.532 18.500 19.000 0.054 0.000 0.822 46 A HN 0.488 nan 8.150 nan 0.000 0.444 47 K N -0.376 120.004 120.400 -0.033 0.000 2.147 47 K HA -0.009 4.311 4.320 0.001 0.000 0.205 47 K C 2.170 178.721 176.600 -0.083 0.000 1.049 47 K CA 1.016 57.278 56.287 -0.041 0.000 0.936 47 K CB -0.261 32.233 32.500 -0.011 0.000 0.722 47 K HN 0.455 nan 8.250 nan 0.000 0.446 48 A N 1.122 123.860 122.820 -0.136 0.000 1.968 48 A HA -0.033 4.287 4.320 0.001 0.000 0.217 48 A C 2.032 179.474 177.584 -0.236 0.000 1.169 48 A CA 0.851 52.783 52.037 -0.175 0.000 0.638 48 A CB -0.381 18.499 19.000 -0.200 0.000 0.812 48 A HN 0.128 nan 8.150 nan 0.000 0.446 49 L N -0.621 120.405 121.223 -0.328 0.000 2.093 49 L HA -0.144 4.196 4.340 0.001 0.000 0.208 49 L C 2.729 179.514 176.870 -0.142 0.000 1.085 49 L CA 1.426 56.100 54.840 -0.276 0.000 0.755 49 L CB -0.360 41.531 42.059 -0.281 0.000 0.904 49 L HN 0.479 nan 8.230 nan 0.000 0.435 50 E N 1.192 121.327 120.200 -0.108 0.000 2.047 50 E HA -0.281 4.069 4.350 0.001 0.000 0.191 50 E C 2.085 178.649 176.600 -0.060 0.000 0.987 50 E CA 1.448 57.808 56.400 -0.066 0.000 0.799 50 E CB 0.044 29.716 29.700 -0.047 0.000 0.752 50 E HN 0.350 nan 8.360 nan 0.000 0.449 51 K N -0.059 120.301 120.400 -0.066 0.000 2.209 51 K HA -0.054 4.267 4.320 0.001 0.000 0.204 51 K C 1.688 178.256 176.600 -0.055 0.000 1.048 51 K CA 1.075 57.330 56.287 -0.053 0.000 0.940 51 K CB -0.105 32.365 32.500 -0.050 0.000 0.729 51 K HN 0.087 nan 8.250 nan 0.000 0.451 52 A N 0.070 122.846 122.820 -0.074 0.000 2.238 52 A HA 0.211 4.531 4.320 0.001 0.000 0.208 52 A C 1.284 178.838 177.584 -0.049 0.000 1.177 52 A CA 0.713 52.712 52.037 -0.065 0.000 0.804 52 A CB -0.290 18.658 19.000 -0.088 0.000 0.823 52 A HN 0.530 nan 8.150 nan 0.000 0.482 53 G N -1.379 107.393 108.800 -0.047 0.000 2.141 53 G HA2 -0.239 3.721 3.960 0.001 0.000 0.242 53 G HA3 -0.239 3.721 3.960 0.001 0.000 0.242 53 G C 0.542 175.421 174.900 -0.035 0.000 0.982 53 G CA 0.502 45.581 45.100 -0.035 0.000 0.662 53 G HN 0.335 nan 8.290 nan 0.000 0.527 54 I N 0.015 120.557 120.570 -0.046 0.000 2.703 54 I HA 0.350 4.521 4.170 0.001 0.000 0.259 54 I C 1.441 177.537 176.117 -0.035 0.000 1.151 54 I CA 0.781 62.057 61.300 -0.039 0.000 1.470 54 I CB 0.003 37.975 38.000 -0.047 0.000 1.112 54 I HN 0.269 nan 8.210 nan 0.000 0.437 55 L N -0.209 120.990 121.223 -0.041 0.000 2.342 55 L HA 0.433 4.773 4.340 0.001 0.000 0.271 55 L C 0.246 177.100 176.870 -0.027 0.000 1.008 55 L CA -0.805 54.016 54.840 -0.032 0.000 0.818 55 L CB 1.662 43.700 42.059 -0.035 0.000 1.296 55 L HN 0.042 nan 8.230 nan 0.000 0.427 56 T N -2.507 112.035 114.554 -0.020 0.000 2.913 56 T HA 0.260 4.610 4.350 0.001 0.000 0.287 56 T C 0.784 175.475 174.700 -0.014 0.000 1.008 56 T CA -0.816 61.274 62.100 -0.016 0.000 1.067 56 T CB 1.384 70.245 68.868 -0.012 0.000 0.996 56 T HN 0.554 nan 8.240 nan 0.000 0.513 57 K N 0.582 120.975 120.400 -0.013 0.000 2.281 57 K HA -0.098 4.223 4.320 0.001 0.000 0.203 57 K C 2.193 178.789 176.600 -0.006 0.000 1.046 57 K CA 1.501 57.782 56.287 -0.010 0.000 0.938 57 K CB -0.429 32.066 32.500 -0.008 0.000 0.737 57 K HN 0.647 nan 8.250 nan 0.000 0.458 58 T N 1.066 115.616 114.554 -0.006 0.000 2.812 58 T HA -0.088 4.262 4.350 0.001 0.000 0.264 58 T C 1.551 176.249 174.700 -0.003 0.000 1.042 58 T CA 1.084 63.182 62.100 -0.004 0.000 1.140 58 T CB -0.035 68.831 68.868 -0.004 0.000 0.870 58 T HN 0.315 nan 8.240 nan 0.000 0.445 59 E N 0.706 120.903 120.200 -0.006 0.000 2.072 59 E HA -0.054 4.297 4.350 0.001 0.000 0.191 59 E C 2.121 178.719 176.600 -0.003 0.000 0.985 59 E CA 0.602 56.998 56.400 -0.006 0.000 0.801 59 E CB -0.252 29.441 29.700 -0.011 0.000 0.750 59 E HN 0.180 nan 8.360 nan 0.000 0.452 60 L N 1.918 123.138 121.223 -0.005 0.000 1.990 60 L HA -0.269 4.071 4.340 0.001 0.000 0.213 60 L C 1.927 178.801 176.870 0.007 0.000 1.072 60 L CA 1.949 56.788 54.840 -0.002 0.000 0.755 60 L CB -0.337 41.718 42.059 -0.007 0.000 0.889 60 L HN 0.069 nan 8.230 nan 0.000 0.432 61 E N -0.599 119.604 120.200 0.006 0.000 2.049 61 E HA -0.297 4.054 4.350 0.001 0.000 0.198 61 E C 2.217 178.825 176.600 0.014 0.000 1.007 61 E CA 1.904 58.310 56.400 0.010 0.000 0.809 61 E CB -0.192 29.512 29.700 0.007 0.000 0.749 61 E HN 0.477 nan 8.360 nan 0.000 0.450 62 K N 0.247 120.653 120.400 0.011 0.000 2.063 62 K HA -0.152 4.169 4.320 0.001 0.000 0.208 62 K C 2.187 178.799 176.600 0.022 0.000 1.048 62 K CA 1.056 57.352 56.287 0.014 0.000 0.928 62 K CB -0.148 32.357 32.500 0.008 0.000 0.713 62 K HN 0.157 nan 8.250 nan 0.000 0.442 63 I N 1.094 121.677 120.570 0.022 0.000 2.163 63 I HA -0.291 3.879 4.170 0.001 0.000 0.240 63 I C 2.161 178.305 176.117 0.045 0.000 1.081 63 I CA 1.204 62.524 61.300 0.033 0.000 1.353 63 I CB -0.200 37.817 38.000 0.029 0.000 1.054 63 I HN 0.108 nan 8.210 nan 0.000 0.407 64 L N -0.398 120.848 121.223 0.039 0.000 2.131 64 L HA -0.194 4.146 4.340 0.001 0.000 0.210 64 L C 2.683 179.581 176.870 0.046 0.000 1.092 64 L CA 1.207 56.074 54.840 0.044 0.000 0.759 64 L CB -0.650 41.430 42.059 0.035 0.000 0.903 64 L HN 0.263 nan 8.230 nan 0.000 0.435 65 S N 0.219 115.942 115.700 0.038 0.000 2.368 65 S HA -0.099 4.371 4.470 0.001 0.000 0.224 65 S C 2.016 176.643 174.600 0.045 0.000 1.029 65 S CA 1.305 59.527 58.200 0.037 0.000 0.988 65 S CB -0.311 62.905 63.200 0.027 0.000 0.838 65 S HN 0.490 nan 8.310 nan 0.000 0.462 66 G N 1.625 110.454 108.800 0.048 0.000 2.404 66 G HA2 -0.068 3.892 3.960 0.001 0.000 0.215 66 G HA3 -0.068 3.892 3.960 0.001 0.000 0.215 66 G C 1.446 176.396 174.900 0.084 0.000 1.174 66 G CA 0.811 45.946 45.100 0.059 0.000 0.780 66 G HN 0.500 nan 8.290 nan 0.000 0.537 67 L N -0.015 121.262 121.223 0.090 0.000 2.012 67 L HA -0.096 4.244 4.340 0.001 0.000 0.210 67 L C 2.815 179.753 176.870 0.114 0.000 1.073 67 L CA 1.545 56.453 54.840 0.112 0.000 0.748 67 L CB -0.368 41.752 42.059 0.102 0.000 0.891 67 L HN 0.207 nan 8.230 nan 0.000 0.431 68 E N 0.357 120.610 120.200 0.088 0.000 2.160 68 E HA -0.262 4.088 4.350 0.001 0.000 0.195 68 E C 2.083 178.737 176.600 0.090 0.000 0.991 68 E CA 1.327 57.776 56.400 0.082 0.000 0.810 68 E CB -0.003 29.733 29.700 0.060 0.000 0.742 68 E HN 0.238 nan 8.360 nan 0.000 0.466 69 K N -0.163 120.288 120.400 0.085 0.000 2.062 69 K HA -0.058 4.263 4.320 0.001 0.000 0.205 69 K C 1.998 178.663 176.600 0.109 0.000 1.051 69 K CA 1.235 57.568 56.287 0.077 0.000 0.941 69 K CB -0.122 32.410 32.500 0.054 0.000 0.719 69 K HN 0.147 nan 8.250 nan 0.000 0.440 70 I N 0.711 121.373 120.570 0.153 0.000 2.286 70 I HA -0.256 3.915 4.170 0.001 0.000 0.248 70 I C 2.513 178.823 176.117 0.322 0.000 1.115 70 I CA 1.035 62.481 61.300 0.244 0.000 1.392 70 I CB -0.311 37.875 38.000 0.310 0.000 1.065 70 I HN 0.265 nan 8.210 nan 0.000 0.418 71 S N 0.501 116.359 115.700 0.262 0.000 2.368 71 S HA -0.217 4.253 4.470 0.001 0.000 0.225 71 S C 2.047 176.787 174.600 0.232 0.000 1.030 71 S CA 1.414 59.769 58.200 0.259 0.000 0.999 71 S CB -0.193 63.099 63.200 0.153 0.000 0.844 71 S HN 0.349 nan 8.310 nan 0.000 0.459 72 E N 0.931 121.227 120.200 0.159 0.000 2.077 72 E HA -0.142 4.208 4.350 0.001 0.000 0.193 72 E C 2.128 178.802 176.600 0.122 0.000 0.989 72 E CA 1.231 57.703 56.400 0.119 0.000 0.800 72 E CB -0.349 29.398 29.700 0.078 0.000 0.746 72 E HN 0.719 nan 8.360 nan 0.000 0.452 73 E N -0.506 119.762 120.200 0.113 0.000 2.085 73 E HA -0.202 4.149 4.350 0.001 0.000 0.194 73 E C 2.022 178.673 176.600 0.085 0.000 0.994 73 E CA 1.116 57.545 56.400 0.049 0.000 0.801 73 E CB -0.254 29.440 29.700 -0.010 0.000 0.743 73 E HN 0.373 nan 8.360 nan 0.000 0.453 74 W N 1.010 122.404 121.300 0.158 0.000 2.381 74 W HA -0.157 4.503 4.660 0.000 0.000 0.301 74 W C 2.939 179.490 176.519 0.053 0.000 1.205 74 W CA 1.344 58.739 57.345 0.082 0.000 1.285 74 W CB -0.272 29.173 29.460 -0.025 0.000 1.133 74 W HN 0.075 nan 8.180 nan 0.000 0.521 75 S N 0.049 115.919 115.700 0.284 0.000 2.423 75 S HA -0.091 4.379 4.470 0.001 0.000 0.231 75 S C 1.408 176.083 174.600 0.125 0.000 1.014 75 S CA 0.944 59.247 58.200 0.172 0.000 0.965 75 S CB -0.365 62.912 63.200 0.129 0.000 0.785 75 S HN 0.277 nan 8.310 nan 0.000 0.495 76 K N 0.841 121.308 120.400 0.112 0.000 2.444 76 K HA 0.254 4.574 4.320 0.001 0.000 0.193 76 K C 1.046 177.686 176.600 0.068 0.000 1.024 76 K CA 0.322 56.652 56.287 0.072 0.000 1.077 76 K CB -0.179 32.350 32.500 0.049 0.000 0.833 76 K HN 0.519 nan 8.250 nan 0.000 0.517 77 G N 1.731 110.592 108.800 0.102 0.000 2.249 77 G HA2 -0.246 3.714 3.960 0.001 0.000 0.273 77 G HA3 -0.246 3.714 3.960 0.001 0.000 0.273 77 G C 0.537 175.462 174.900 0.042 0.000 1.036 77 G CA 0.541 45.697 45.100 0.094 0.000 0.824 77 G HN 0.309 nan 8.290 nan 0.000 0.504 78 V N -3.606 116.313 119.914 0.009 0.000 3.477 78 V HA 0.620 4.741 4.120 0.001 0.000 0.297 78 V C 1.100 177.113 176.094 -0.136 0.000 1.433 78 V CA -0.061 62.209 62.300 -0.050 0.000 1.052 78 V CB -0.427 31.366 31.823 -0.050 0.000 0.895 78 V HN 0.581 nan 8.190 nan 0.000 0.438 79 F N 1.653 121.388 119.950 -0.359 0.000 2.602 79 F HA 0.432 4.959 4.527 0.000 0.000 0.367 79 F C 0.266 175.794 175.800 -0.453 0.000 1.126 79 F CA 0.358 57.988 58.000 -0.617 0.000 1.321 79 F CB 1.310 39.420 39.000 -1.483 0.000 1.094 79 F HN 0.011 nan 8.300 nan 0.000 0.594 80 V N 8.291 127.715 119.914 -0.817 0.000 2.313 80 V HA 0.390 4.510 4.120 0.001 0.000 0.278 80 V C -0.990 174.964 176.094 -0.233 0.000 1.017 80 V CA -0.616 61.454 62.300 -0.383 0.000 0.823 80 V CB 1.107 32.733 31.823 -0.328 0.000 1.010 80 V HN 0.603 nan 8.190 nan 0.000 0.443 81 V N 8.149 128.111 119.914 0.079 0.000 2.508 81 V HA 0.329 4.450 4.120 0.001 0.000 0.281 81 V C 0.566 176.710 176.094 0.083 0.000 1.041 81 V CA -0.196 62.223 62.300 0.199 0.000 1.016 81 V CB 0.653 32.608 31.823 0.219 0.000 0.984 81 V HN 0.846 nan 8.190 nan 0.000 0.478 82 K N 3.120 123.571 120.400 0.085 0.000 2.139 82 K HA 0.372 4.692 4.320 0.001 0.000 0.243 82 K C 0.882 177.516 176.600 0.056 0.000 0.983 82 K CA -0.889 55.423 56.287 0.042 0.000 0.890 82 K CB 1.199 33.712 32.500 0.021 0.000 1.090 82 K HN 0.477 nan 8.250 nan 0.000 0.445 83 Q N 0.648 120.470 119.800 0.037 0.000 2.062 83 Q HA -0.198 4.142 4.340 0.001 0.000 0.209 83 Q C 1.813 177.840 176.000 0.044 0.000 0.996 83 Q CA 2.594 58.419 55.803 0.036 0.000 0.859 83 Q CB -0.371 28.382 28.738 0.024 0.000 0.920 83 Q HN 0.764 nan 8.270 nan 0.000 0.415 84 S N 0.591 116.317 115.700 0.043 0.000 2.537 84 S HA -0.075 4.395 4.470 0.001 0.000 0.240 84 S C 0.163 174.798 174.600 0.059 0.000 0.981 84 S CA 0.323 58.551 58.200 0.046 0.000 0.948 84 S CB -0.090 63.135 63.200 0.041 0.000 0.759 84 S HN 0.144 nan 8.310 nan 0.000 0.531 85 D N 3.190 123.636 120.400 0.077 0.000 2.383 85 D HA 0.073 4.713 4.640 0.001 0.000 0.245 85 D C 1.290 177.635 176.300 0.076 0.000 1.263 85 D CA -0.026 54.031 54.000 0.095 0.000 0.936 85 D CB 0.629 41.514 40.800 0.142 0.000 1.053 85 D HN 0.627 nan 8.370 nan 0.000 0.507 86 E N 1.498 121.736 120.200 0.063 0.000 2.358 86 E HA -0.093 4.257 4.350 0.001 0.000 0.195 86 E C -0.259 176.374 176.600 0.054 0.000 1.010 86 E CA 0.442 56.874 56.400 0.055 0.000 0.856 86 E CB 0.074 29.803 29.700 0.048 0.000 0.795 86 E HN 0.505 nan 8.360 nan 0.000 0.504 87 D N -1.243 119.189 120.400 0.053 0.000 2.692 87 D HA 0.098 4.738 4.640 0.001 0.000 0.290 87 D C 0.427 176.700 176.300 -0.046 0.000 1.281 87 D CA -0.772 53.240 54.000 0.020 0.000 0.804 87 D CB 0.068 40.921 40.800 0.089 0.000 1.331 87 D HN -0.121 nan 8.370 nan 0.000 0.432 88 I N 0.152 120.587 120.570 -0.225 0.000 2.286 88 I HA -0.158 4.013 4.170 0.001 0.000 0.248 88 I C 1.635 177.582 176.117 -0.282 0.000 1.115 88 I CA 1.839 62.941 61.300 -0.331 0.000 1.392 88 I CB -0.576 37.085 38.000 -0.565 0.000 1.065 88 I HN 0.527 nan 8.210 nan 0.000 0.418 89 H N -0.888 118.152 119.070 -0.051 0.000 2.353 89 H HA -0.112 4.444 4.556 0.000 0.000 0.300 89 H C 2.121 177.444 175.328 -0.009 0.000 1.090 89 H CA 1.956 57.978 56.048 -0.043 0.000 1.327 89 H CB -0.851 28.867 29.762 -0.072 0.000 1.383 89 H HN 0.266 nan 8.280 nan 0.000 0.508 90 T N 0.197 114.814 114.554 0.105 0.000 2.904 90 T HA -0.055 4.295 4.350 0.001 0.000 0.267 90 T C 2.307 177.082 174.700 0.124 0.000 1.059 90 T CA 0.871 63.021 62.100 0.084 0.000 1.137 90 T CB -0.292 68.618 68.868 0.071 0.000 0.879 90 T HN 0.516 nan 8.240 nan 0.000 0.467 91 A N 2.511 125.418 122.820 0.145 0.000 1.855 91 A HA -0.104 4.216 4.320 0.001 0.000 0.215 91 A C 2.265 180.052 177.584 0.339 0.000 1.191 91 A CA 1.265 53.462 52.037 0.267 0.000 0.613 91 A CB -0.569 18.600 19.000 0.282 0.000 0.829 91 A HN 0.347 nan 8.150 nan 0.000 0.442 92 N N -0.004 118.840 118.700 0.240 0.000 2.223 92 N HA -0.124 4.616 4.740 0.001 0.000 0.185 92 N C 1.626 177.280 175.510 0.241 0.000 1.016 92 N CA 1.432 54.645 53.050 0.272 0.000 0.863 92 N CB -0.343 38.251 38.487 0.178 0.000 0.983 92 N HN 0.668 nan 8.380 nan 0.000 0.429 93 E N 0.504 120.822 120.200 0.197 0.000 2.072 93 E HA -0.111 4.239 4.350 0.001 0.000 0.190 93 E C 2.061 178.782 176.600 0.202 0.000 0.982 93 E CA 0.462 56.992 56.400 0.217 0.000 0.803 93 E CB 0.045 29.836 29.700 0.152 0.000 0.755 93 E HN 0.282 nan 8.360 nan 0.000 0.453 94 R N 1.085 121.692 120.500 0.178 0.000 2.073 94 R HA -0.179 4.161 4.340 0.001 0.000 0.234 94 R C 2.355 178.732 176.300 0.129 0.000 1.134 94 R CA 1.552 57.737 56.100 0.143 0.000 0.952 94 R CB -0.061 30.317 30.300 0.131 0.000 0.850 94 R HN -0.096 nan 8.270 nan 0.000 0.433 95 R N 0.788 121.395 120.500 0.179 0.000 2.081 95 R HA -0.125 4.215 4.340 0.001 0.000 0.235 95 R C 2.174 178.538 176.300 0.106 0.000 1.131 95 R CA 1.445 57.620 56.100 0.126 0.000 0.960 95 R CB -0.870 29.579 30.300 0.248 0.000 0.856 95 R HN 0.358 nan 8.270 nan 0.000 0.436 96 L N 0.940 122.249 121.223 0.144 0.000 2.093 96 L HA -0.073 4.268 4.340 0.001 0.000 0.208 96 L C 2.147 179.062 176.870 0.074 0.000 1.085 96 L CA 1.963 56.870 54.840 0.111 0.000 0.755 96 L CB -0.571 41.566 42.059 0.131 0.000 0.904 96 L HN 0.246 nan 8.230 nan 0.000 0.435 97 K N -0.006 120.443 120.400 0.081 0.000 2.097 97 K HA -0.204 4.117 4.320 0.001 0.000 0.205 97 K C 1.761 178.381 176.600 0.033 0.000 1.050 97 K CA 1.686 58.006 56.287 0.055 0.000 0.938 97 K CB -0.152 32.391 32.500 0.072 0.000 0.718 97 K HN 0.694 nan 8.250 nan 0.000 0.442 98 E N 0.027 120.244 120.200 0.029 0.000 2.427 98 E HA -0.130 4.220 4.350 0.001 0.000 0.196 98 E C 1.644 178.242 176.600 -0.002 0.000 1.028 98 E CA 0.317 56.720 56.400 0.005 0.000 0.864 98 E CB 0.107 29.799 29.700 -0.013 0.000 0.813 98 E HN 0.156 nan 8.360 nan 0.000 0.514 99 L N 1.025 122.253 121.223 0.008 0.000 2.200 99 L HA 0.151 4.491 4.340 0.001 0.000 0.200 99 L C 2.236 179.111 176.870 0.009 0.000 1.072 99 L CA 1.179 56.023 54.840 0.006 0.000 0.787 99 L CB -0.015 42.055 42.059 0.018 0.000 0.957 99 L HN 0.362 nan 8.230 nan 0.000 0.459 100 I N -4.458 116.121 120.570 0.015 0.000 4.154 100 I HA 0.565 4.736 4.170 0.001 0.000 0.334 100 I C 0.982 177.103 176.117 0.006 0.000 1.371 100 I CA 0.269 61.575 61.300 0.010 0.000 1.110 100 I CB 0.069 38.078 38.000 0.014 0.000 1.085 100 I HN 0.206 nan 8.210 nan 0.000 0.398 101 G N 2.386 111.190 108.800 0.007 0.000 2.553 101 G HA2 -0.324 3.636 3.960 0.001 0.000 0.242 101 G HA3 -0.324 3.636 3.960 0.001 0.000 0.242 101 G C 0.134 175.033 174.900 -0.002 0.000 1.277 101 G CA 0.507 45.610 45.100 0.004 0.000 0.910 101 G HN 0.316 nan 8.290 nan 0.000 0.576 102 D N 0.153 120.550 120.400 -0.006 0.000 2.239 102 D HA -0.099 4.542 4.640 0.001 0.000 0.202 102 D C 2.476 178.757 176.300 -0.032 0.000 0.993 102 D CA 1.500 55.490 54.000 -0.016 0.000 0.874 102 D CB -0.180 40.614 40.800 -0.011 0.000 0.922 102 D HN 0.498 nan 8.370 nan 0.000 0.464 103 I N 0.693 121.248 120.570 -0.026 0.000 2.286 103 I HA -0.268 3.902 4.170 0.001 0.000 0.248 103 I C 2.456 178.541 176.117 -0.055 0.000 1.115 103 I CA 0.898 62.179 61.300 -0.032 0.000 1.392 103 I CB -0.324 37.666 38.000 -0.016 0.000 1.065 103 I HN -0.052 nan 8.210 nan 0.000 0.418 104 A N 1.344 124.134 122.820 -0.049 0.000 1.917 104 A HA -0.203 4.117 4.320 0.001 0.000 0.219 104 A C 2.444 179.883 177.584 -0.242 0.000 1.182 104 A CA 2.069 54.064 52.037 -0.070 0.000 0.633 104 A CB -1.541 17.454 19.000 -0.008 0.000 0.819 104 A HN 0.479 nan 8.150 nan 0.000 0.448 105 G N -0.685 107.958 108.800 -0.261 0.000 2.501 105 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 105 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 105 G C 1.528 176.197 174.900 -0.385 0.000 1.114 105 G CA 1.025 45.858 45.100 -0.446 0.000 0.757 105 G HN 0.628 nan 8.290 nan 0.000 0.559 106 K N -0.612 119.665 120.400 -0.204 0.000 2.296 106 K HA 0.109 4.430 4.320 0.001 0.000 0.200 106 K C 2.171 178.740 176.600 -0.052 0.000 1.048 106 K CA 0.192 56.421 56.287 -0.097 0.000 0.966 106 K CB -0.103 32.366 32.500 -0.053 0.000 0.754 106 K HN 0.287 nan 8.250 nan 0.000 0.466 107 L N 1.130 122.303 121.223 -0.083 0.000 2.191 107 L HA -0.153 4.187 4.340 0.001 0.000 0.212 107 L C 1.613 178.640 176.870 0.261 0.000 1.103 107 L CA 1.812 56.709 54.840 0.096 0.000 0.769 107 L CB -0.453 41.674 42.059 0.112 0.000 0.908 107 L HN 0.243 nan 8.230 nan 0.000 0.438 108 H N -1.727 117.408 119.070 0.109 0.000 2.524 108 H HA 0.042 4.598 4.556 0.001 0.000 0.282 108 H C 0.253 175.634 175.328 0.088 0.000 1.016 108 H CA 0.128 56.217 56.048 0.069 0.000 1.270 108 H CB -0.409 29.374 29.762 0.035 0.000 1.394 108 H HN 0.261 nan 8.280 nan 0.000 0.568 109 T N 0.868 115.551 114.554 0.215 0.000 2.849 109 T HA 0.062 4.412 4.350 0.001 0.000 0.289 109 T C 1.469 176.295 174.700 0.211 0.000 1.010 109 T CA 0.835 63.032 62.100 0.162 0.000 1.161 109 T CB 0.339 69.269 68.868 0.103 0.000 0.989 109 T HN 0.695 nan 8.240 nan 0.000 0.523 110 G N 2.857 111.735 108.800 0.131 0.000 2.186 110 G HA2 -0.326 3.634 3.960 0.001 0.000 0.266 110 G HA3 -0.326 3.634 3.960 0.001 0.000 0.266 110 G C 0.221 175.162 174.900 0.068 0.000 0.982 110 G CA 0.686 45.855 45.100 0.115 0.000 0.670 110 G HN 0.858 nan 8.290 nan 0.000 0.533 111 R N 0.054 120.561 120.500 0.012 0.000 2.532 111 R HA 0.645 4.985 4.340 0.001 0.000 0.295 111 R C -0.202 176.004 176.300 -0.157 0.000 0.968 111 R CA 0.165 56.159 56.100 -0.176 0.000 0.916 111 R CB 1.279 31.371 30.300 -0.347 0.000 1.124 111 R HN 0.213 nan 8.270 nan 0.000 0.463 112 S N 1.500 117.074 115.700 -0.209 0.000 2.600 112 S HA 0.323 4.793 4.470 0.001 0.000 0.300 112 S C 0.638 175.066 174.600 -0.287 0.000 1.087 112 S CA -0.729 57.340 58.200 -0.218 0.000 0.965 112 S CB 1.838 64.918 63.200 -0.199 0.000 1.089 112 S HN 0.779 nan 8.310 nan 0.000 0.496 113 R N 1.846 122.154 120.500 -0.319 0.000 2.115 113 R HA 0.058 4.398 4.340 0.001 0.000 0.226 113 R C 1.753 177.784 176.300 -0.447 0.000 1.100 113 R CA 1.776 57.636 56.100 -0.401 0.000 0.980 113 R CB -0.310 29.780 30.300 -0.350 0.000 0.875 113 R HN 0.745 nan 8.270 nan 0.000 0.445 114 N N 0.226 118.634 118.700 -0.487 0.000 2.272 114 N HA -0.213 4.527 4.740 0.001 0.000 0.185 114 N C 1.389 176.746 175.510 -0.255 0.000 1.014 114 N CA 1.359 54.103 53.050 -0.510 0.000 0.870 114 N CB 0.025 38.194 38.487 -0.530 0.000 0.975 114 N HN 0.496 nan 8.380 nan 0.000 0.433 115 E N 0.958 121.010 120.200 -0.247 0.000 2.307 115 E HA -0.062 4.288 4.350 0.001 0.000 0.195 115 E C 1.549 178.026 176.600 -0.205 0.000 0.975 115 E CA 0.202 56.487 56.400 -0.192 0.000 0.878 115 E CB -0.100 29.487 29.700 -0.188 0.000 0.845 115 E HN 0.364 nan 8.360 nan 0.000 0.488 116 Q N 0.977 120.609 119.800 -0.279 0.000 2.119 116 Q HA -0.076 4.264 4.340 0.001 0.000 0.201 116 Q C 2.363 178.231 176.000 -0.220 0.000 0.972 116 Q CA 1.419 57.057 55.803 -0.274 0.000 0.847 116 Q CB -0.015 28.468 28.738 -0.426 0.000 0.903 116 Q HN 0.147 nan 8.270 nan 0.000 0.433 117 V N 0.787 120.520 119.914 -0.301 0.000 2.295 117 V HA -0.223 3.897 4.120 0.001 0.000 0.246 117 V C 2.219 178.342 176.094 0.048 0.000 1.049 117 V CA 1.975 64.212 62.300 -0.105 0.000 1.024 117 V CB -0.141 31.623 31.823 -0.097 0.000 0.648 117 V HN 0.412 nan 8.190 nan 0.000 0.447 118 V N -3.465 116.468 119.914 0.032 0.000 2.591 118 V HA -0.106 4.015 4.120 0.001 0.000 0.249 118 V C 2.247 178.317 176.094 -0.040 0.000 1.053 118 V CA 2.017 64.367 62.300 0.082 0.000 1.068 118 V CB -1.242 30.629 31.823 0.080 0.000 0.689 118 V HN 0.507 nan 8.190 nan 0.000 0.462 119 T N 0.847 115.362 114.554 -0.065 0.000 2.737 119 T HA -0.147 4.203 4.350 0.001 0.000 0.265 119 T C 1.618 176.361 174.700 0.072 0.000 1.038 119 T CA 2.070 64.136 62.100 -0.057 0.000 1.144 119 T CB -0.439 68.377 68.868 -0.087 0.000 0.866 119 T HN 0.533 nan 8.240 nan 0.000 0.434 120 D N 0.944 121.393 120.400 0.082 0.000 2.084 120 D HA -0.030 4.611 4.640 0.001 0.000 0.194 120 D C 1.985 178.369 176.300 0.140 0.000 0.990 120 D CA 0.540 54.610 54.000 0.117 0.000 0.826 120 D CB -0.571 40.316 40.800 0.145 0.000 0.971 120 D HN 0.118 nan 8.370 nan 0.000 0.453 121 L N 1.048 122.358 121.223 0.146 0.000 2.131 121 L HA -0.131 4.209 4.340 0.001 0.000 0.210 121 L C 1.809 178.816 176.870 0.228 0.000 1.092 121 L CA 1.738 56.701 54.840 0.205 0.000 0.759 121 L CB -0.274 41.945 42.059 0.266 0.000 0.903 121 L HN -0.090 nan 8.230 nan 0.000 0.435 122 K N -1.082 119.380 120.400 0.103 0.000 2.103 122 K HA -0.092 4.229 4.320 0.001 0.000 0.204 122 K C 2.090 178.734 176.600 0.074 0.000 1.052 122 K CA 1.223 57.525 56.287 0.026 0.000 0.945 122 K CB -0.189 32.281 32.500 -0.050 0.000 0.722 122 K HN 0.312 nan 8.250 nan 0.000 0.443 123 L N 0.019 121.323 121.223 0.135 0.000 2.046 123 L HA -0.185 4.155 4.340 0.001 0.000 0.208 123 L C 2.334 179.210 176.870 0.010 0.000 1.077 123 L CA 1.127 55.983 54.840 0.028 0.000 0.747 123 L CB -0.332 41.779 42.059 0.087 0.000 0.896 123 L HN 0.140 nan 8.230 nan 0.000 0.432 124 F N 0.287 120.208 119.950 -0.048 0.000 2.134 124 F HA -0.245 4.283 4.527 0.001 0.000 0.299 124 F C 2.411 178.155 175.800 -0.092 0.000 1.097 124 F CA 1.551 59.514 58.000 -0.063 0.000 1.264 124 F CB -0.127 38.846 39.000 -0.045 0.000 1.001 124 F HN -0.055 nan 8.300 nan 0.000 0.479 125 M N 0.143 119.715 119.600 -0.047 0.000 2.117 125 M HA -0.204 4.276 4.480 0.001 0.000 0.262 125 M C 2.126 178.264 176.300 -0.271 0.000 1.065 125 M CA 1.694 56.859 55.300 -0.226 0.000 1.114 125 M CB -0.405 32.133 32.600 -0.103 0.000 1.361 125 M HN 0.032 nan 8.290 nan 0.000 0.408 126 K N 0.186 120.463 120.400 -0.206 0.000 2.032 126 K HA -0.137 4.183 4.320 0.001 0.000 0.209 126 K C 1.709 178.174 176.600 -0.225 0.000 1.048 126 K CA 1.373 57.534 56.287 -0.210 0.000 0.927 126 K CB -0.330 32.017 32.500 -0.256 0.000 0.712 126 K HN 0.331 nan 8.250 nan 0.000 0.441 127 N N 0.518 119.062 118.700 -0.260 0.000 2.166 127 N HA -0.095 4.645 4.740 0.001 0.000 0.186 127 N C 1.818 177.156 175.510 -0.287 0.000 1.019 127 N CA 1.124 54.023 53.050 -0.251 0.000 0.856 127 N CB -0.307 38.032 38.487 -0.247 0.000 0.993 127 N HN 0.030 nan 8.380 nan 0.000 0.426 128 S N 0.948 116.387 115.700 -0.436 0.000 2.383 128 S HA -0.006 4.464 4.470 0.001 0.000 0.227 128 S C 1.918 176.404 174.600 -0.190 0.000 1.026 128 S CA 0.489 58.454 58.200 -0.391 0.000 0.981 128 S CB -0.133 62.702 63.200 -0.609 0.000 0.818 128 S HN 0.109 nan 8.310 nan 0.000 0.472 129 L N 1.729 122.844 121.223 -0.179 0.000 2.083 129 L HA -0.043 4.297 4.340 0.001 0.000 0.209 129 L C 2.456 179.295 176.870 -0.052 0.000 1.083 129 L CA 1.406 56.204 54.840 -0.069 0.000 0.752 129 L CB -1.121 40.899 42.059 -0.065 0.000 0.899 129 L HN 0.188 nan 8.230 nan 0.000 0.433 130 S N -0.490 115.156 115.700 -0.091 0.000 2.356 130 S HA -0.151 4.319 4.470 0.001 0.000 0.223 130 S C 2.014 176.564 174.600 -0.084 0.000 1.032 130 S CA 1.447 59.597 58.200 -0.083 0.000 1.005 130 S CB -0.356 62.785 63.200 -0.100 0.000 0.867 130 S HN 0.349 nan 8.310 nan 0.000 0.449 131 I N 1.194 121.714 120.570 -0.084 0.000 2.179 131 I HA -0.184 3.987 4.170 0.001 0.000 0.242 131 I C 2.095 178.205 176.117 -0.012 0.000 1.088 131 I CA 1.217 62.467 61.300 -0.082 0.000 1.357 131 I CB -0.422 37.568 38.000 -0.017 0.000 1.051 131 I HN 0.227 nan 8.210 nan 0.000 0.409 132 I N -0.025 120.589 120.570 0.074 0.000 2.163 132 I HA -0.350 3.821 4.170 0.001 0.000 0.243 132 I C 2.816 178.987 176.117 0.089 0.000 1.085 132 I CA 1.618 63.005 61.300 0.145 0.000 1.347 132 I CB -0.392 37.693 38.000 0.142 0.000 1.044 132 I HN 0.237 nan 8.210 nan 0.000 0.408 133 S N 0.103 115.821 115.700 0.031 0.000 2.359 133 S HA -0.233 4.238 4.470 0.001 0.000 0.224 133 S C 2.113 176.703 174.600 -0.018 0.000 1.035 133 S CA 2.398 60.605 58.200 0.011 0.000 1.018 133 S CB -0.446 62.749 63.200 -0.009 0.000 0.876 133 S HN 0.441 nan 8.310 nan 0.000 0.448 134 T N 0.893 115.396 114.554 -0.085 0.000 2.665 134 T HA -0.158 4.192 4.350 0.001 0.000 0.268 134 T C 1.464 176.092 174.700 -0.121 0.000 1.035 134 T CA 2.163 64.175 62.100 -0.147 0.000 1.151 134 T CB -0.677 68.025 68.868 -0.276 0.000 0.862 134 T HN 0.692 nan 8.240 nan 0.000 0.438 135 H N -0.021 119.051 119.070 0.003 0.000 2.357 135 H HA 0.063 4.619 4.556 0.001 0.000 0.301 135 H C 2.170 177.499 175.328 0.002 0.000 1.082 135 H CA 0.984 57.036 56.048 0.005 0.000 1.342 135 H CB -0.209 29.560 29.762 0.011 0.000 1.389 135 H HN 0.096 nan 8.280 nan 0.000 0.511 136 L N 0.716 122.012 121.223 0.123 0.000 2.046 136 L HA -0.151 4.190 4.340 0.001 0.000 0.208 136 L C 1.839 178.730 176.870 0.036 0.000 1.077 136 L CA 1.484 56.365 54.840 0.067 0.000 0.747 136 L CB -0.564 41.529 42.059 0.056 0.000 0.896 136 L HN 0.275 nan 8.230 nan 0.000 0.432 137 L N -0.925 120.312 121.223 0.023 0.000 2.131 137 L HA -0.192 4.149 4.340 0.001 0.000 0.210 137 L C 2.592 179.466 176.870 0.008 0.000 1.092 137 L CA 1.174 56.018 54.840 0.006 0.000 0.759 137 L CB -0.531 41.524 42.059 -0.006 0.000 0.903 137 L HN 0.393 nan 8.230 nan 0.000 0.435 138 Q N 0.410 120.222 119.800 0.021 0.000 2.119 138 Q HA -0.173 4.167 4.340 0.001 0.000 0.201 138 Q C 2.095 178.107 176.000 0.020 0.000 0.972 138 Q CA 1.493 57.312 55.803 0.026 0.000 0.847 138 Q CB -0.255 28.515 28.738 0.052 0.000 0.903 138 Q HN 0.456 nan 8.270 nan 0.000 0.433 139 L N -0.390 120.846 121.223 0.021 0.000 2.027 139 L HA -0.130 4.210 4.340 0.001 0.000 0.206 139 L C 2.049 178.907 176.870 -0.020 0.000 1.074 139 L CA 1.375 56.213 54.840 -0.004 0.000 0.745 139 L CB -0.268 41.786 42.059 -0.008 0.000 0.898 139 L HN 0.336 nan 8.230 nan 0.000 0.433 140 I N -0.033 120.527 120.570 -0.016 0.000 2.226 140 I HA -0.346 3.824 4.170 0.001 0.000 0.245 140 I C 2.629 178.731 176.117 -0.025 0.000 1.100 140 I CA 1.297 62.580 61.300 -0.028 0.000 1.374 140 I CB -0.374 37.612 38.000 -0.023 0.000 1.057 140 I HN 0.285 nan 8.210 nan 0.000 0.413 141 K N 0.819 121.212 120.400 -0.013 0.000 2.026 141 K HA -0.179 4.142 4.320 0.001 0.000 0.208 141 K C 2.086 178.682 176.600 -0.007 0.000 1.048 141 K CA 2.018 58.300 56.287 -0.008 0.000 0.929 141 K CB -0.113 32.386 32.500 -0.001 0.000 0.713 141 K HN 0.221 nan 8.250 nan 0.000 0.439 142 T N 1.913 116.464 114.554 -0.005 0.000 2.720 142 T HA -0.155 4.195 4.350 0.001 0.000 0.268 142 T C 1.812 176.507 174.700 -0.009 0.000 1.037 142 T CA 1.499 63.598 62.100 -0.001 0.000 1.144 142 T CB -0.142 68.724 68.868 -0.004 0.000 0.864 142 T HN 0.163 nan 8.240 nan 0.000 0.444 143 L N 0.360 121.565 121.223 -0.031 0.000 2.072 143 L HA -0.033 4.308 4.340 0.001 0.000 0.205 143 L C 2.662 179.501 176.870 -0.051 0.000 1.079 143 L CA 0.711 55.519 54.840 -0.054 0.000 0.752 143 L CB -0.529 41.480 42.059 -0.082 0.000 0.906 143 L HN 0.120 nan 8.230 nan 0.000 0.436 144 V N -0.534 119.356 119.914 -0.040 0.000 2.358 144 V HA -0.205 3.916 4.120 0.001 0.000 0.246 144 V C 2.494 178.580 176.094 -0.013 0.000 1.047 144 V CA 1.505 63.785 62.300 -0.033 0.000 1.035 144 V CB -0.406 31.401 31.823 -0.027 0.000 0.658 144 V HN 0.410 nan 8.190 nan 0.000 0.452 145 E N -0.089 120.110 120.200 -0.002 0.000 2.152 145 E HA -0.153 4.197 4.350 0.001 0.000 0.192 145 E C 2.294 178.911 176.600 0.027 0.000 0.983 145 E CA 0.750 57.157 56.400 0.013 0.000 0.818 145 E CB -0.297 29.413 29.700 0.016 0.000 0.758 145 E HN 0.474 nan 8.360 nan 0.000 0.467 146 R N 0.597 121.116 120.500 0.031 0.000 2.090 146 R HA -0.002 4.338 4.340 0.001 0.000 0.228 146 R C 2.115 178.454 176.300 0.064 0.000 1.110 146 R CA 1.054 57.193 56.100 0.065 0.000 0.973 146 R CB -0.070 30.283 30.300 0.087 0.000 0.869 146 R HN 0.100 nan 8.270 nan 0.000 0.440 147 A N 0.652 123.477 122.820 0.010 0.000 1.972 147 A HA -0.099 4.222 4.320 0.001 0.000 0.219 147 A C 2.240 179.843 177.584 0.030 0.000 1.169 147 A CA 1.627 53.660 52.037 -0.007 0.000 0.635 147 A CB -0.477 18.488 19.000 -0.057 0.000 0.810 147 A HN 0.502 nan 8.150 nan 0.000 0.446 148 A N -0.160 122.677 122.820 0.028 0.000 1.929 148 A HA 0.043 4.364 4.320 0.001 0.000 0.216 148 A C 1.945 179.559 177.584 0.050 0.000 1.176 148 A CA 1.379 53.435 52.037 0.033 0.000 0.628 148 A CB -0.348 18.666 19.000 0.023 0.000 0.816 148 A HN 0.402 nan 8.150 nan 0.000 0.444 149 I N 0.035 120.642 120.570 0.061 0.000 2.286 149 I HA -0.116 4.054 4.170 0.001 0.000 0.245 149 I C 1.216 177.388 176.117 0.092 0.000 1.104 149 I CA 1.138 62.480 61.300 0.070 0.000 1.397 149 I CB -1.378 36.666 38.000 0.074 0.000 1.072 149 I HN 0.404 nan 8.210 nan 0.000 0.417 150 E N 0.548 120.828 120.200 0.134 0.000 2.349 150 E HA 0.135 4.486 4.350 0.001 0.000 0.201 150 E C 1.752 178.459 176.600 0.178 0.000 1.087 150 E CA -0.219 56.291 56.400 0.184 0.000 1.128 150 E CB 0.159 30.060 29.700 0.335 0.000 1.188 150 E HN 0.357 nan 8.360 nan 0.000 0.445 151 I N 1.001 121.639 120.570 0.114 0.000 2.700 151 I HA -0.234 3.937 4.170 0.001 0.000 0.261 151 I C 0.863 177.032 176.117 0.088 0.000 1.219 151 I CA 1.193 62.548 61.300 0.093 0.000 1.463 151 I CB 0.328 38.365 38.000 0.062 0.000 1.092 151 I HN 0.073 nan 8.210 nan 0.000 0.452 152 D N 0.126 120.574 120.400 0.080 0.000 2.350 152 D HA 0.090 4.730 4.640 0.001 0.000 0.213 152 D C 0.498 176.831 176.300 0.055 0.000 1.031 152 D CA 0.292 54.328 54.000 0.061 0.000 0.861 152 D CB 0.287 41.113 40.800 0.044 0.000 0.926 152 D HN 0.092 nan 8.370 nan 0.000 0.520 153 V N 2.230 122.190 119.914 0.077 0.000 2.508 153 V HA 0.142 4.263 4.120 0.001 0.000 0.281 153 V C 0.568 176.690 176.094 0.047 0.000 1.041 153 V CA -0.057 62.265 62.300 0.037 0.000 1.016 153 V CB 1.051 32.888 31.823 0.024 0.000 0.984 153 V HN -0.060 nan 8.190 nan 0.000 0.478 154 I N 6.631 127.183 120.570 -0.031 0.000 2.474 154 I HA 0.618 4.788 4.170 0.001 0.000 0.294 154 I C -0.627 175.387 176.117 -0.171 0.000 1.005 154 I CA -0.662 60.612 61.300 -0.043 0.000 1.113 154 I CB 1.795 39.785 38.000 -0.016 0.000 1.289 154 I HN 0.479 nan 8.210 nan 0.000 0.436 155 L N 4.518 125.631 121.223 -0.184 0.000 2.510 155 L HA 0.817 5.158 4.340 0.001 0.000 0.252 155 L C -3.086 173.636 176.870 -0.248 0.000 1.091 155 L CA -2.794 51.835 54.840 -0.352 0.000 0.888 155 L CB -0.093 41.597 42.059 -0.614 0.000 1.507 155 L HN 0.134 nan 8.230 nan 0.000 0.407 156 P HA 0.483 nan 4.420 nan 0.000 0.274 156 P C -0.481 176.690 177.300 -0.216 0.000 1.231 156 P CA 0.144 63.085 63.100 -0.266 0.000 0.790 156 P CB 0.739 32.221 31.700 -0.363 0.000 0.951 157 G N 0.939 109.601 108.800 -0.229 0.000 2.420 157 G HA2 0.613 4.573 3.960 0.001 0.000 0.331 157 G HA3 0.613 4.573 3.960 0.001 0.000 0.331 157 G C -1.797 173.010 174.900 -0.156 0.000 1.168 157 G CA -0.265 44.820 45.100 -0.025 0.000 0.936 157 G HN 0.300 nan 8.290 nan 0.000 0.479 158 Y N -0.234 120.186 120.300 0.200 0.000 2.499 158 Y HA 0.690 5.240 4.550 0.001 0.000 0.347 158 Y C 0.494 176.501 175.900 0.177 0.000 0.987 158 Y CA -0.975 57.250 58.100 0.207 0.000 1.044 158 Y CB 2.812 41.431 38.460 0.266 0.000 1.245 158 Y HN 0.664 nan 8.280 nan 0.000 0.461 159 T N -1.316 113.450 114.554 0.352 0.000 2.921 159 T HA 0.365 4.715 4.350 0.001 0.000 0.297 159 T C -0.609 174.333 174.700 0.403 0.000 1.013 159 T CA -0.652 61.618 62.100 0.284 0.000 0.990 159 T CB 0.788 69.831 68.868 0.292 0.000 1.023 159 T HN 0.955 nan 8.240 nan 0.000 0.447 160 H N 1.307 120.468 119.070 0.152 0.000 3.080 160 H HA -0.140 4.417 4.556 0.000 0.000 0.254 160 H C 0.811 176.235 175.328 0.161 0.000 1.179 160 H CA 0.556 56.682 56.048 0.130 0.000 1.144 160 H CB -1.041 28.791 29.762 0.116 0.000 1.261 160 H HN 0.840 nan 8.280 nan 0.000 0.333 161 L N -0.657 120.746 121.223 0.299 0.000 4.232 161 L HA -0.237 4.103 4.340 0.001 0.000 0.415 161 L C -0.050 177.088 176.870 0.447 0.000 1.168 161 L CA 1.535 56.549 54.840 0.290 0.000 0.966 161 L CB -0.603 41.546 42.059 0.150 0.000 2.052 161 L HN 0.403 nan 8.230 nan 0.000 0.887 162 Q N 0.551 120.635 119.800 0.473 0.000 2.309 162 Q HA 0.383 4.724 4.340 0.001 0.000 0.264 162 Q C 0.086 176.277 176.000 0.318 0.000 1.008 162 Q CA -0.654 55.370 55.803 0.367 0.000 0.853 162 Q CB 1.662 30.532 28.738 0.221 0.000 1.314 162 Q HN 0.286 nan 8.270 nan 0.000 0.448 163 K N 1.090 121.573 120.400 0.139 0.000 2.472 163 K HA 0.118 4.439 4.320 0.001 0.000 0.280 163 K C 0.319 176.887 176.600 -0.052 0.000 1.028 163 K CA 0.151 56.334 56.287 -0.173 0.000 1.045 163 K CB 0.627 33.049 32.500 -0.130 0.000 0.902 163 K HN 0.663 nan 8.250 nan 0.000 0.478 164 A N 4.217 126.985 122.820 -0.086 0.000 2.265 164 A HA 0.088 4.408 4.320 0.001 0.000 0.226 164 A C 0.053 177.648 177.584 0.018 0.000 1.937 164 A CA 0.497 52.543 52.037 0.015 0.000 0.771 164 A CB 0.318 19.353 19.000 0.057 0.000 1.421 164 A HN 0.717 nan 8.150 nan 0.000 0.570 165 Q N -0.613 119.187 119.800 -0.000 0.000 2.421 165 Q HA 0.454 4.794 4.340 0.001 0.000 0.280 165 Q C -2.891 173.111 176.000 0.003 0.000 1.085 165 Q CA -2.231 53.589 55.803 0.028 0.000 0.807 165 Q CB 2.421 31.171 28.738 0.020 0.000 1.405 165 Q HN 0.196 nan 8.270 nan 0.000 0.419 166 P HA 0.166 nan 4.420 nan 0.000 0.271 166 P C -1.092 176.220 177.300 0.020 0.000 1.216 166 P CA -0.023 63.113 63.100 0.061 0.000 0.776 166 P CB 0.428 32.258 31.700 0.217 0.000 0.881 167 I N -1.577 118.996 120.570 0.006 0.000 3.095 167 I HA 0.611 4.781 4.170 0.001 0.000 0.310 167 I C -0.588 175.561 176.117 0.053 0.000 1.196 167 I CA -1.505 59.804 61.300 0.015 0.000 0.985 167 I CB 1.893 39.903 38.000 0.017 0.000 1.250 167 I HN 0.032 nan 8.210 nan 0.000 0.446 168 R N 1.763 122.309 120.500 0.076 0.000 2.410 168 R HA 0.157 4.497 4.340 0.001 0.000 0.288 168 R C 0.470 176.886 176.300 0.194 0.000 1.051 168 R CA -0.431 55.739 56.100 0.116 0.000 1.021 168 R CB 0.997 31.356 30.300 0.099 0.000 1.032 168 R HN 0.906 nan 8.270 nan 0.000 0.481 169 W N 2.820 124.126 121.300 0.010 0.000 2.350 169 W HA -0.197 4.463 4.660 0.000 0.000 0.289 169 W C 0.574 177.190 176.519 0.161 0.000 1.215 169 W CA 1.393 58.771 57.345 0.055 0.000 1.236 169 W CB 0.176 29.626 29.460 -0.016 0.000 1.130 169 W HN 0.508 nan 8.180 nan 0.000 0.541 170 S N 0.519 116.272 115.700 0.089 0.000 2.402 170 S HA -0.258 4.213 4.470 0.001 0.000 0.229 170 S C 1.549 176.119 174.600 -0.051 0.000 1.021 170 S CA 1.707 59.882 58.200 -0.042 0.000 0.974 170 S CB -0.362 62.858 63.200 0.032 0.000 0.800 170 S HN 0.310 nan 8.310 nan 0.000 0.484 171 Q N 0.726 120.536 119.800 0.017 0.000 2.119 171 Q HA -0.043 4.297 4.340 0.001 0.000 0.201 171 Q C 1.673 177.663 176.000 -0.016 0.000 0.972 171 Q CA 1.370 57.173 55.803 -0.000 0.000 0.847 171 Q CB -0.455 28.299 28.738 0.027 0.000 0.903 171 Q HN 0.565 nan 8.270 nan 0.000 0.433 172 F N -0.171 119.699 119.950 -0.134 0.000 2.084 172 F HA -0.076 4.451 4.527 0.000 0.000 0.296 172 F C 1.497 177.158 175.800 -0.231 0.000 1.111 172 F CA 1.293 59.203 58.000 -0.151 0.000 1.224 172 F CB -0.238 38.728 39.000 -0.057 0.000 0.991 172 F HN 0.089 nan 8.300 nan 0.000 0.471 173 L N 0.121 121.141 121.223 -0.337 0.000 2.079 173 L HA -0.248 4.093 4.340 0.001 0.000 0.210 173 L C 2.409 179.106 176.870 -0.288 0.000 1.081 173 L CA 1.221 55.828 54.840 -0.389 0.000 0.752 173 L CB -0.782 41.053 42.059 -0.373 0.000 0.896 173 L HN 0.279 nan 8.230 nan 0.000 0.433 174 L N -0.742 120.342 121.223 -0.232 0.000 2.156 174 L HA -0.125 4.215 4.340 0.001 0.000 0.208 174 L C 2.818 179.553 176.870 -0.225 0.000 1.095 174 L CA 1.101 55.833 54.840 -0.180 0.000 0.770 174 L CB -0.501 41.486 42.059 -0.120 0.000 0.914 174 L HN 0.346 nan 8.230 nan 0.000 0.439 175 S N -1.534 113.973 115.700 -0.322 0.000 2.382 175 S HA -0.206 4.264 4.470 0.001 0.000 0.228 175 S C 1.927 176.262 174.600 -0.442 0.000 1.027 175 S CA 0.897 58.869 58.200 -0.379 0.000 0.991 175 S CB -0.561 62.363 63.200 -0.460 0.000 0.823 175 S HN 0.439 nan 8.310 nan 0.000 0.469 176 H N 1.902 120.739 119.070 -0.388 0.000 2.363 176 H HA 0.244 4.801 4.556 0.000 0.000 0.301 176 H C 2.724 177.888 175.328 -0.275 0.000 1.074 176 H CA 1.253 57.083 56.048 -0.363 0.000 1.354 176 H CB -0.907 28.598 29.762 -0.427 0.000 1.397 176 H HN 0.562 nan 8.280 nan 0.000 0.516 177 A N 0.843 123.590 122.820 -0.121 0.000 1.883 177 A HA -0.146 4.175 4.320 0.001 0.000 0.217 177 A C 2.850 180.364 177.584 -0.116 0.000 1.186 177 A CA 1.878 53.851 52.037 -0.105 0.000 0.624 177 A CB -0.986 17.955 19.000 -0.099 0.000 0.822 177 A HN 0.208 nan 8.150 nan 0.000 0.444 178 V N -0.171 119.658 119.914 -0.142 0.000 2.287 178 V HA -0.284 3.837 4.120 0.001 0.000 0.248 178 V C 3.072 179.071 176.094 -0.158 0.000 1.053 178 V CA 2.097 64.318 62.300 -0.132 0.000 1.027 178 V CB -1.283 30.459 31.823 -0.135 0.000 0.646 178 V HN 0.646 nan 8.190 nan 0.000 0.447 179 A N -0.432 122.236 122.820 -0.254 0.000 1.902 179 A HA -0.174 4.147 4.320 0.001 0.000 0.217 179 A C 2.095 179.502 177.584 -0.295 0.000 1.181 179 A CA 1.702 53.488 52.037 -0.418 0.000 0.623 179 A CB -0.591 17.927 19.000 -0.805 0.000 0.818 179 A HN 0.402 nan 8.150 nan 0.000 0.443 180 L N 0.025 121.135 121.223 -0.187 0.000 2.191 180 L HA -0.103 4.237 4.340 0.001 0.000 0.212 180 L C 2.511 179.373 176.870 -0.013 0.000 1.103 180 L CA 2.221 57.037 54.840 -0.041 0.000 0.769 180 L CB -1.460 40.575 42.059 -0.041 0.000 0.908 180 L HN 0.389 nan 8.230 nan 0.000 0.438 181 T N -1.352 113.177 114.554 -0.042 0.000 2.904 181 T HA -0.101 4.249 4.350 0.001 0.000 0.267 181 T C 2.026 176.725 174.700 -0.003 0.000 1.059 181 T CA 0.771 62.858 62.100 -0.022 0.000 1.137 181 T CB 0.004 68.851 68.868 -0.035 0.000 0.879 181 T HN 0.306 nan 8.240 nan 0.000 0.467 182 R N 0.991 121.490 120.500 -0.001 0.000 2.115 182 R HA -0.037 4.303 4.340 0.001 0.000 0.226 182 R C 2.009 178.343 176.300 0.057 0.000 1.100 182 R CA 1.121 57.237 56.100 0.027 0.000 0.980 182 R CB -0.191 30.131 30.300 0.036 0.000 0.875 182 R HN 0.350 nan 8.270 nan 0.000 0.445 183 D N 0.104 120.556 120.400 0.086 0.000 2.117 183 D HA -0.139 4.501 4.640 0.001 0.000 0.197 183 D C 1.833 178.165 176.300 0.054 0.000 0.987 183 D CA 1.255 55.306 54.000 0.086 0.000 0.829 183 D CB -0.238 40.635 40.800 0.120 0.000 0.961 183 D HN 0.027 nan 8.370 nan 0.000 0.460 184 S N 0.195 115.921 115.700 0.042 0.000 2.368 184 S HA -0.209 4.261 4.470 0.001 0.000 0.225 184 S C 1.843 176.462 174.600 0.031 0.000 1.030 184 S CA 1.521 59.741 58.200 0.033 0.000 0.999 184 S CB -0.060 63.152 63.200 0.019 0.000 0.844 184 S HN 0.261 nan 8.310 nan 0.000 0.459 185 E N 0.203 120.419 120.200 0.027 0.000 2.077 185 E HA -0.135 4.216 4.350 0.001 0.000 0.193 185 E C 2.396 179.015 176.600 0.032 0.000 0.989 185 E CA 0.840 57.255 56.400 0.024 0.000 0.800 185 E CB -0.070 29.640 29.700 0.018 0.000 0.746 185 E HN 0.451 nan 8.360 nan 0.000 0.452 186 R N -0.079 120.443 120.500 0.038 0.000 2.096 186 R HA -0.133 4.207 4.340 0.001 0.000 0.235 186 R C 2.410 178.744 176.300 0.056 0.000 1.127 186 R CA 0.781 56.907 56.100 0.042 0.000 0.968 186 R CB -0.235 30.088 30.300 0.037 0.000 0.861 186 R HN 0.194 nan 8.270 nan 0.000 0.440 187 L N 0.078 121.338 121.223 0.061 0.000 2.083 187 L HA -0.063 4.277 4.340 0.001 0.000 0.209 187 L C 2.188 179.100 176.870 0.070 0.000 1.083 187 L CA 1.920 56.811 54.840 0.084 0.000 0.752 187 L CB -0.981 41.126 42.059 0.081 0.000 0.899 187 L HN 0.214 nan 8.230 nan 0.000 0.433 188 G N -1.499 107.329 108.800 0.046 0.000 2.408 188 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 188 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 188 G C 1.409 176.331 174.900 0.037 0.000 1.150 188 G CA 0.607 45.726 45.100 0.032 0.000 0.776 188 G HN 0.505 nan 8.290 nan 0.000 0.542 189 E N 0.162 120.387 120.200 0.042 0.000 2.077 189 E HA -0.084 4.267 4.350 0.001 0.000 0.193 189 E C 2.654 179.290 176.600 0.059 0.000 0.989 189 E CA 0.932 57.358 56.400 0.044 0.000 0.800 189 E CB -0.169 29.556 29.700 0.042 0.000 0.746 189 E HN 0.301 nan 8.360 nan 0.000 0.452 190 V N 1.719 121.680 119.914 0.079 0.000 2.427 190 V HA -0.253 3.867 4.120 0.001 0.000 0.248 190 V C 2.373 178.525 176.094 0.097 0.000 1.051 190 V CA 1.727 64.092 62.300 0.109 0.000 1.048 190 V CB -0.415 31.501 31.823 0.155 0.000 0.666 190 V HN 0.191 nan 8.190 nan 0.000 0.456 191 K N 0.167 120.609 120.400 0.069 0.000 2.103 191 K HA -0.229 4.091 4.320 0.001 0.000 0.207 191 K C 2.227 178.843 176.600 0.028 0.000 1.048 191 K CA 1.559 57.866 56.287 0.033 0.000 0.930 191 K CB -0.094 32.411 32.500 0.008 0.000 0.716 191 K HN 0.402 nan 8.250 nan 0.000 0.444 192 K N -0.003 120.417 120.400 0.035 0.000 2.063 192 K HA -0.140 4.180 4.320 0.001 0.000 0.208 192 K C 2.188 178.817 176.600 0.048 0.000 1.048 192 K CA 1.544 57.851 56.287 0.034 0.000 0.928 192 K CB -0.037 32.482 32.500 0.031 0.000 0.713 192 K HN 0.113 nan 8.250 nan 0.000 0.442 193 R N 0.301 120.838 120.500 0.063 0.000 2.193 193 R HA 0.066 4.406 4.340 0.001 0.000 0.213 193 R C 2.172 178.513 176.300 0.069 0.000 1.055 193 R CA 0.593 56.735 56.100 0.071 0.000 0.995 193 R CB -0.047 30.308 30.300 0.091 0.000 0.893 193 R HN 0.186 nan 8.270 nan 0.000 0.459 194 I N 0.943 121.556 120.570 0.072 0.000 2.315 194 I HA -0.214 3.956 4.170 0.001 0.000 0.248 194 I C 1.311 177.471 176.117 0.072 0.000 1.117 194 I CA 0.763 62.082 61.300 0.033 0.000 1.404 194 I CB -0.120 37.903 38.000 0.038 0.000 1.071 194 I HN 0.074 nan 8.210 nan 0.000 0.419 195 N N 1.174 119.926 118.700 0.085 0.000 2.530 195 N HA 0.010 4.751 4.740 0.001 0.000 0.216 195 N C -0.811 174.916 175.510 0.362 0.000 1.315 195 N CA 0.217 53.363 53.050 0.161 0.000 0.858 195 N CB -0.177 38.325 38.487 0.024 0.000 1.138 195 N HN -0.054 nan 8.380 nan 0.000 0.473 196 V N 1.702 121.778 119.914 0.270 0.000 2.409 196 V HA 0.262 4.383 4.120 0.001 0.000 0.291 196 V C 0.015 175.946 176.094 -0.273 0.000 1.020 196 V CA -1.150 61.188 62.300 0.063 0.000 0.848 196 V CB 1.788 33.605 31.823 -0.009 0.000 0.990 196 V HN 0.068 nan 8.190 nan 0.000 0.430 197 L N 9.638 130.547 121.223 -0.523 0.000 2.418 197 L HA 0.377 4.718 4.340 0.001 0.000 0.274 197 L C -1.408 175.162 176.870 -0.501 0.000 1.135 197 L CA -0.474 53.791 54.840 -0.960 0.000 0.870 197 L CB 0.902 42.549 42.059 -0.687 0.000 1.154 197 L HN 0.416 nan 8.230 nan 0.000 0.462 198 P HA -0.001 nan 4.420 nan 0.000 0.252 198 P C 0.519 177.688 177.300 -0.218 0.000 1.211 198 P CA 0.015 62.950 63.100 -0.274 0.000 0.824 198 P CB 0.452 32.002 31.700 -0.250 0.000 1.077 199 L N 0.771 121.842 121.223 -0.253 0.000 2.540 199 L HA 0.168 4.508 4.340 0.001 0.000 0.276 199 L C 1.261 178.073 176.870 -0.098 0.000 1.212 199 L CA 1.720 56.459 54.840 -0.168 0.000 0.893 199 L CB -0.398 41.581 42.059 -0.132 0.000 1.138 199 L HN 0.343 nan 8.230 nan 0.000 0.491 200 G N 2.260 111.021 108.800 -0.065 0.000 2.148 200 G HA2 -0.229 3.731 3.960 0.001 0.000 0.203 200 G HA3 -0.229 3.731 3.960 0.001 0.000 0.203 200 G C 0.651 175.533 174.900 -0.030 0.000 0.993 200 G CA 0.246 45.345 45.100 -0.002 0.000 0.661 200 G HN 0.634 nan 8.290 nan 0.000 0.518 201 S N -0.084 115.578 115.700 -0.063 0.000 2.535 201 S HA 0.475 4.945 4.470 0.001 0.000 0.214 201 S C 1.906 176.474 174.600 -0.053 0.000 0.980 201 S CA 1.219 59.386 58.200 -0.054 0.000 0.907 201 S CB 0.350 63.513 63.200 -0.062 0.000 0.790 201 S HN 2.216 nan 8.310 nan 0.000 0.510 202 G N 1.867 110.625 108.800 -0.071 0.000 2.552 202 G HA2 -0.219 3.742 3.960 0.001 0.000 0.265 202 G HA3 -0.219 3.742 3.960 0.001 0.000 0.265 202 G C 0.830 175.672 174.900 -0.097 0.000 1.234 202 G CA -0.012 45.043 45.100 -0.074 0.000 0.944 202 G HN 0.719 nan 8.290 nan 0.000 0.568 203 A N -0.797 121.973 122.820 -0.083 0.000 2.123 203 A HA 0.570 4.890 4.320 0.001 0.000 0.214 203 A C 1.967 179.519 177.584 -0.053 0.000 1.152 203 A CA 2.512 54.491 52.037 -0.097 0.000 0.728 203 A CB -0.396 18.555 19.000 -0.082 0.000 0.814 203 A HN 2.245 nan 8.150 nan 0.000 0.464 204 L N -7.135 114.069 121.223 -0.032 0.000 3.375 204 L HA 0.244 4.584 4.340 0.001 0.000 0.389 204 L C 1.389 178.255 176.870 -0.007 0.000 1.025 204 L CA 0.590 55.425 54.840 -0.008 0.000 1.784 204 L CB -0.845 41.221 42.059 0.010 0.000 2.584 204 L HN 0.001 nan 8.230 nan 0.000 0.529 205 A N 1.071 123.885 122.820 -0.010 0.000 2.238 205 A HA 0.712 5.033 4.320 0.001 0.000 0.210 205 A C 1.319 178.898 177.584 -0.007 0.000 1.179 205 A CA 1.158 53.191 52.037 -0.006 0.000 0.827 205 A CB -0.352 18.646 19.000 -0.003 0.000 0.856 205 A HN 1.504 nan 8.150 nan 0.000 0.488 206 G N -0.494 108.298 108.800 -0.012 0.000 2.396 206 G HA2 -0.096 3.865 3.960 0.001 0.000 0.254 206 G HA3 -0.096 3.865 3.960 0.001 0.000 0.254 206 G C -0.796 174.103 174.900 -0.002 0.000 1.248 206 G CA -0.209 44.885 45.100 -0.010 0.000 1.033 206 G HN 0.530 nan 8.290 nan 0.000 0.502 207 N N 1.248 119.954 118.700 0.010 0.000 2.400 207 N HA 0.557 5.297 4.740 0.001 0.000 0.288 207 N C -1.149 174.376 175.510 0.025 0.000 1.024 207 N CA -1.244 51.825 53.050 0.031 0.000 0.894 207 N CB 2.201 40.724 38.487 0.060 0.000 1.173 207 N HN 0.401 nan 8.380 nan 0.000 0.487 208 P HA 0.176 nan 4.420 nan 0.000 0.261 208 P C 0.635 177.944 177.300 0.015 0.000 1.268 208 P CA 0.284 63.395 63.100 0.018 0.000 0.833 208 P CB 0.501 32.212 31.700 0.018 0.000 1.231 209 L N -0.893 120.342 121.223 0.019 0.000 2.607 209 L HA 0.234 4.574 4.340 0.001 0.000 0.228 209 L C 0.144 177.010 176.870 -0.006 0.000 1.123 209 L CA -0.060 54.782 54.840 0.004 0.000 0.890 209 L CB -0.707 41.351 42.059 -0.002 0.000 1.103 209 L HN -0.140 nan 8.230 nan 0.000 0.468 210 D N 0.999 121.399 120.400 -0.000 0.000 2.800 210 D HA -0.185 4.456 4.640 0.001 0.000 0.232 210 D C 0.131 176.423 176.300 -0.013 0.000 1.137 210 D CA 0.563 54.559 54.000 -0.006 0.000 0.718 210 D CB -0.776 40.019 40.800 -0.009 0.000 1.084 210 D HN 0.122 nan 8.370 nan 0.000 0.432 211 I N 1.161 121.726 120.570 -0.009 0.000 2.815 211 I HA -0.045 4.125 4.170 0.001 0.000 0.291 211 I C 0.688 176.795 176.117 -0.016 0.000 1.209 211 I CA 0.081 61.366 61.300 -0.026 0.000 1.431 211 I CB 0.571 38.575 38.000 0.007 0.000 1.351 211 I HN -0.054 nan 8.210 nan 0.000 0.585 212 D N 7.135 127.517 120.400 -0.029 0.000 2.435 212 D HA 0.109 4.750 4.640 0.001 0.000 0.230 212 D C 1.085 177.382 176.300 -0.004 0.000 1.215 212 D CA 0.063 54.053 54.000 -0.016 0.000 0.947 212 D CB 0.357 41.144 40.800 -0.022 0.000 1.048 212 D HN 0.491 nan 8.370 nan 0.000 0.512 213 R N 2.197 122.698 120.500 0.001 0.000 2.115 213 R HA -0.150 4.190 4.340 0.001 0.000 0.230 213 R C 1.584 177.886 176.300 0.003 0.000 1.111 213 R CA 0.867 56.968 56.100 0.002 0.000 0.976 213 R CB 0.124 30.419 30.300 -0.009 0.000 0.870 213 R HN 0.346 nan 8.270 nan 0.000 0.445 214 E N 1.566 121.769 120.200 0.004 0.000 2.072 214 E HA -0.189 4.161 4.350 0.001 0.000 0.191 214 E C 1.933 178.544 176.600 0.018 0.000 0.985 214 E CA 1.285 57.691 56.400 0.010 0.000 0.801 214 E CB -0.164 29.540 29.700 0.007 0.000 0.750 214 E HN 0.226 nan 8.360 nan 0.000 0.452 215 M N -0.434 119.173 119.600 0.013 0.000 2.117 215 M HA -0.161 4.320 4.480 0.001 0.000 0.262 215 M C 1.378 177.697 176.300 0.031 0.000 1.065 215 M CA 1.288 56.597 55.300 0.015 0.000 1.114 215 M CB -0.068 32.533 32.600 0.001 0.000 1.361 215 M HN 0.252 nan 8.290 nan 0.000 0.408 216 L N 0.629 121.872 121.223 0.035 0.000 2.017 216 L HA -0.187 4.153 4.340 0.001 0.000 0.208 216 L C 2.649 179.568 176.870 0.081 0.000 1.073 216 L CA 1.885 56.760 54.840 0.058 0.000 0.745 216 L CB -1.448 40.644 42.059 0.055 0.000 0.894 216 L HN 0.410 nan 8.230 nan 0.000 0.432 217 R N -0.224 120.315 120.500 0.065 0.000 2.103 217 R HA -0.222 4.118 4.340 0.001 0.000 0.234 217 R C 2.458 178.838 176.300 0.134 0.000 1.132 217 R CA 2.423 58.590 56.100 0.113 0.000 0.925 217 R CB -0.352 29.991 30.300 0.071 0.000 0.842 217 R HN 0.561 nan 8.270 nan 0.000 0.430 218 S N 0.102 115.848 115.700 0.077 0.000 2.368 218 S HA -0.211 4.260 4.470 0.001 0.000 0.225 218 S C 1.900 176.532 174.600 0.055 0.000 1.030 218 S CA 1.451 59.685 58.200 0.056 0.000 0.999 218 S CB -0.401 62.819 63.200 0.034 0.000 0.844 218 S HN 0.543 nan 8.310 nan 0.000 0.459 219 E N 1.756 121.992 120.200 0.060 0.000 2.058 219 E HA -0.092 4.259 4.350 0.001 0.000 0.194 219 E C 1.753 178.394 176.600 0.068 0.000 0.997 219 E CA 1.493 57.926 56.400 0.055 0.000 0.801 219 E CB -0.544 29.190 29.700 0.057 0.000 0.746 219 E HN 0.662 nan 8.360 nan 0.000 0.450 220 L N 0.088 121.384 121.223 0.122 0.000 2.591 220 L HA 0.159 4.500 4.340 0.001 0.000 0.228 220 L C 0.167 177.062 176.870 0.041 0.000 1.133 220 L CA 0.475 55.402 54.840 0.146 0.000 0.880 220 L CB -0.280 41.978 42.059 0.332 0.000 1.033 220 L HN 0.185 nan 8.230 nan 0.000 0.450 221 E N -1.020 119.204 120.200 0.039 0.000 2.553 221 E HA -0.215 4.135 4.350 0.001 0.000 0.264 221 E C -0.302 176.211 176.600 -0.144 0.000 1.068 221 E CA 0.104 56.470 56.400 -0.057 0.000 0.774 221 E CB -1.560 28.070 29.700 -0.116 0.000 1.349 221 E HN 0.242 nan 8.360 nan 0.000 0.404 222 F N -0.207 119.728 119.950 -0.026 0.000 2.370 222 F HA 0.424 4.951 4.527 0.000 0.000 0.324 222 F C 1.600 177.385 175.800 -0.026 0.000 1.116 222 F CA 0.309 58.289 58.000 -0.034 0.000 1.123 222 F CB 0.816 39.792 39.000 -0.040 0.000 1.238 222 F HN 0.035 nan 8.300 nan 0.000 0.536 223 A N 0.955 123.867 122.820 0.154 0.000 2.016 223 A HA 0.208 4.528 4.320 0.001 0.000 0.217 223 A C 0.588 178.222 177.584 0.083 0.000 1.162 223 A CA 1.304 53.390 52.037 0.082 0.000 0.662 223 A CB -0.452 18.578 19.000 0.050 0.000 0.812 223 A HN 0.703 nan 8.150 nan 0.000 0.450 224 S N -1.902 113.863 115.700 0.108 0.000 2.683 224 S HA 0.589 5.060 4.470 0.001 0.000 0.269 224 S C -0.672 173.935 174.600 0.013 0.000 1.165 224 S CA -0.294 57.937 58.200 0.052 0.000 0.840 224 S CB 0.242 63.461 63.200 0.031 0.000 1.169 224 S HN 0.928 nan 8.310 nan 0.000 0.490 225 I N -0.169 120.388 120.570 -0.022 0.000 2.750 225 I HA 0.786 4.956 4.170 0.001 0.000 0.308 225 I C 0.129 176.206 176.117 -0.067 0.000 1.016 225 I CA -0.853 60.404 61.300 -0.072 0.000 1.098 225 I CB 2.058 40.023 38.000 -0.058 0.000 1.279 225 I HN 0.852 nan 8.210 nan 0.000 0.454 226 S N 3.965 119.607 115.700 -0.097 0.000 2.572 226 S HA 0.266 4.736 4.470 0.001 0.000 0.279 226 S C 0.722 175.297 174.600 -0.041 0.000 1.341 226 S CA -0.616 57.542 58.200 -0.070 0.000 1.043 226 S CB 1.097 64.245 63.200 -0.087 0.000 0.887 226 S HN 0.721 nan 8.310 nan 0.000 0.516 227 L N 1.052 122.260 121.223 -0.024 0.000 2.209 227 L HA 0.215 4.556 4.340 0.001 0.000 0.207 227 L C 1.251 178.114 176.870 -0.012 0.000 1.094 227 L CA 0.491 55.323 54.840 -0.014 0.000 0.790 227 L CB -0.314 41.742 42.059 -0.005 0.000 0.932 227 L HN 0.759 nan 8.230 nan 0.000 0.447 228 N N -0.642 118.052 118.700 -0.011 0.000 2.371 228 N HA 0.045 4.785 4.740 0.001 0.000 0.291 228 N C 0.654 176.158 175.510 -0.010 0.000 1.053 228 N CA 0.303 53.349 53.050 -0.007 0.000 0.870 228 N CB 1.973 40.460 38.487 0.000 0.000 1.503 228 N HN -0.069 nan 8.380 nan 0.000 0.485 229 S N 3.656 119.349 115.700 -0.011 0.000 2.402 229 S HA -0.115 4.355 4.470 0.001 0.000 0.229 229 S C 1.865 176.462 174.600 -0.004 0.000 1.021 229 S CA 0.764 58.956 58.200 -0.015 0.000 0.974 229 S CB -0.133 63.058 63.200 -0.016 0.000 0.800 229 S HN 0.669 nan 8.310 nan 0.000 0.484 230 M N 1.409 121.011 119.600 0.004 0.000 2.175 230 M HA -0.045 4.435 4.480 0.001 0.000 0.264 230 M C 2.185 178.498 176.300 0.022 0.000 1.063 230 M CA 1.963 57.271 55.300 0.014 0.000 1.119 230 M CB -0.474 32.133 32.600 0.012 0.000 1.377 230 M HN 0.428 nan 8.290 nan 0.000 0.415 231 D N 0.304 120.715 120.400 0.018 0.000 2.123 231 D HA -0.060 4.580 4.640 0.001 0.000 0.200 231 D C 1.881 178.204 176.300 0.038 0.000 0.976 231 D CA 1.411 55.428 54.000 0.028 0.000 0.831 231 D CB 0.138 40.952 40.800 0.023 0.000 0.974 231 D HN 0.232 nan 8.370 nan 0.000 0.469 232 A N -0.108 122.723 122.820 0.018 0.000 1.978 232 A HA -0.117 4.203 4.320 0.001 0.000 0.220 232 A C 2.118 179.723 177.584 0.035 0.000 1.170 232 A CA 1.133 53.175 52.037 0.008 0.000 0.636 232 A CB -0.576 18.402 19.000 -0.037 0.000 0.810 232 A HN 0.369 nan 8.150 nan 0.000 0.448 233 I N -0.873 119.721 120.570 0.040 0.000 3.030 233 I HA -0.002 4.168 4.170 0.001 0.000 0.270 233 I C 2.131 178.330 176.117 0.136 0.000 1.211 233 I CA 1.148 62.492 61.300 0.073 0.000 1.479 233 I CB 0.118 38.142 38.000 0.040 0.000 1.105 233 I HN 0.176 nan 8.210 nan 0.000 0.447 234 S N -0.264 115.494 115.700 0.096 0.000 2.456 234 S HA 0.035 4.506 4.470 0.001 0.000 0.224 234 S C 0.712 175.348 174.600 0.060 0.000 1.035 234 S CA -0.129 58.114 58.200 0.073 0.000 0.940 234 S CB -0.247 62.977 63.200 0.041 0.000 0.799 234 S HN 0.549 nan 8.310 nan 0.000 0.508 235 E N 1.363 121.614 120.200 0.086 0.000 2.373 235 E HA 0.314 4.664 4.350 0.001 0.000 0.263 235 E C 0.204 176.877 176.600 0.122 0.000 1.073 235 E CA -0.377 56.079 56.400 0.093 0.000 0.894 235 E CB 0.468 30.237 29.700 0.115 0.000 1.008 235 E HN -0.149 nan 8.360 nan 0.000 0.420 236 R N 1.874 122.372 120.500 -0.003 0.000 2.548 236 R HA 0.103 4.443 4.340 0.001 0.000 0.449 236 R C -0.491 175.636 176.300 -0.288 0.000 0.928 236 R CA -0.192 55.740 56.100 -0.279 0.000 1.107 236 R CB 0.051 30.187 30.300 -0.274 0.000 1.557 236 R HN 0.608 nan 8.270 nan 0.000 0.584 237 D N 0.685 121.068 120.400 -0.029 0.000 2.149 237 D HA -0.180 4.460 4.640 0.001 0.000 0.198 237 D C 1.635 177.957 176.300 0.037 0.000 0.990 237 D CA 1.359 55.372 54.000 0.022 0.000 0.839 237 D CB -0.222 40.639 40.800 0.102 0.000 0.948 237 D HN 0.372 nan 8.370 nan 0.000 0.460 238 F N -0.365 119.620 119.950 0.058 0.000 2.333 238 F HA -0.064 4.463 4.527 0.001 0.000 0.300 238 F C 1.900 177.767 175.800 0.112 0.000 1.083 238 F CA 0.451 58.498 58.000 0.077 0.000 1.395 238 F CB -0.757 38.280 39.000 0.062 0.000 1.056 238 F HN -0.165 nan 8.300 nan 0.000 0.529 239 V N 0.304 119.868 119.914 -0.582 0.000 2.379 239 V HA -0.163 3.957 4.120 0.001 0.000 0.243 239 V C 2.512 178.578 176.094 -0.047 0.000 1.035 239 V CA 1.346 63.465 62.300 -0.301 0.000 1.035 239 V CB -0.298 31.247 31.823 -0.463 0.000 0.673 239 V HN 0.321 nan 8.190 nan 0.000 0.457 240 V N -0.074 119.782 119.914 -0.096 0.000 2.295 240 V HA -0.282 3.838 4.120 0.001 0.000 0.246 240 V C 2.442 178.544 176.094 0.014 0.000 1.049 240 V CA 2.139 64.415 62.300 -0.040 0.000 1.024 240 V CB -0.590 31.204 31.823 -0.048 0.000 0.648 240 V HN 0.590 nan 8.190 nan 0.000 0.447 241 E N -0.663 119.570 120.200 0.056 0.000 2.038 241 E HA -0.262 4.089 4.350 0.001 0.000 0.195 241 E C 2.081 178.755 176.600 0.124 0.000 1.000 241 E CA 1.810 58.264 56.400 0.090 0.000 0.803 241 E CB -0.256 29.522 29.700 0.130 0.000 0.750 241 E HN 0.574 nan 8.360 nan 0.000 0.448 242 F N 1.447 121.414 119.950 0.028 0.000 2.065 242 F HA -0.252 4.276 4.527 0.001 0.000 0.298 242 F C 1.973 177.784 175.800 0.018 0.000 1.112 242 F CA 1.163 59.185 58.000 0.036 0.000 1.212 242 F CB -0.378 38.657 39.000 0.059 0.000 0.975 242 F HN -0.003 nan 8.300 nan 0.000 0.476 243 L N -0.114 121.020 121.223 -0.149 0.000 2.079 243 L HA -0.186 4.155 4.340 0.001 0.000 0.210 243 L C 2.856 179.614 176.870 -0.187 0.000 1.081 243 L CA 1.982 56.668 54.840 -0.256 0.000 0.752 243 L CB -1.886 40.116 42.059 -0.094 0.000 0.896 243 L HN 0.375 nan 8.230 nan 0.000 0.433 244 S N -1.179 114.464 115.700 -0.095 0.000 2.355 244 S HA -0.140 4.330 4.470 0.001 0.000 0.222 244 S C 2.131 176.679 174.600 -0.086 0.000 1.031 244 S CA 1.459 59.626 58.200 -0.056 0.000 0.993 244 S CB -0.322 62.868 63.200 -0.017 0.000 0.859 244 S HN 0.249 nan 8.310 nan 0.000 0.453 245 V N 1.905 121.766 119.914 -0.089 0.000 2.343 245 V HA -0.002 4.119 4.120 0.001 0.000 0.247 245 V C 2.546 178.553 176.094 -0.145 0.000 1.051 245 V CA 2.138 64.388 62.300 -0.084 0.000 1.036 245 V CB -1.173 30.637 31.823 -0.020 0.000 0.654 245 V HN 0.572 nan 8.190 nan 0.000 0.451 246 A N -0.625 122.037 122.820 -0.263 0.000 1.933 246 A HA -0.196 4.124 4.320 0.001 0.000 0.218 246 A C 2.330 179.800 177.584 -0.189 0.000 1.175 246 A CA 2.587 54.448 52.037 -0.293 0.000 0.628 246 A CB -1.156 17.506 19.000 -0.563 0.000 0.814 246 A HN 0.576 nan 8.150 nan 0.000 0.444 247 T N -0.105 114.354 114.554 -0.159 0.000 2.777 247 T HA -0.099 4.251 4.350 0.001 0.000 0.266 247 T C 1.788 176.401 174.700 -0.145 0.000 1.040 247 T CA 1.442 63.485 62.100 -0.095 0.000 1.141 247 T CB -0.271 68.594 68.868 -0.006 0.000 0.868 247 T HN 0.297 nan 8.240 nan 0.000 0.444 248 L N 1.410 122.524 121.223 -0.182 0.000 2.109 248 L HA 0.142 4.482 4.340 0.001 0.000 0.207 248 L C 2.047 178.661 176.870 -0.427 0.000 1.086 248 L CA 1.260 55.919 54.840 -0.302 0.000 0.760 248 L CB -0.995 40.910 42.059 -0.258 0.000 0.910 248 L HN 0.166 nan 8.230 nan 0.000 0.437 249 L N -0.892 120.190 121.223 -0.236 0.000 2.017 249 L HA -0.176 4.164 4.340 0.001 0.000 0.208 249 L C 2.259 179.071 176.870 -0.097 0.000 1.073 249 L CA 1.837 56.606 54.840 -0.117 0.000 0.745 249 L CB -1.085 40.945 42.059 -0.048 0.000 0.894 249 L HN 0.209 nan 8.230 nan 0.000 0.432 250 L N -0.505 120.652 121.223 -0.109 0.000 2.083 250 L HA -0.200 4.141 4.340 0.001 0.000 0.209 250 L C 2.690 179.508 176.870 -0.087 0.000 1.083 250 L CA 1.306 56.100 54.840 -0.078 0.000 0.752 250 L CB -1.078 40.940 42.059 -0.067 0.000 0.899 250 L HN 0.304 nan 8.230 nan 0.000 0.433 251 I N -0.414 120.065 120.570 -0.151 0.000 2.163 251 I HA -0.322 3.848 4.170 0.001 0.000 0.243 251 I C 2.522 178.607 176.117 -0.054 0.000 1.085 251 I CA 1.456 62.668 61.300 -0.146 0.000 1.347 251 I CB -1.257 36.606 38.000 -0.227 0.000 1.044 251 I HN 0.402 nan 8.210 nan 0.000 0.408 252 H N 0.161 119.201 119.070 -0.049 0.000 2.352 252 H HA -0.134 4.422 4.556 0.001 0.000 0.299 252 H C 2.348 177.644 175.328 -0.054 0.000 1.097 252 H CA 0.916 56.945 56.048 -0.032 0.000 1.311 252 H CB -0.034 29.712 29.762 -0.026 0.000 1.377 252 H HN 0.235 nan 8.280 nan 0.000 0.504 253 L N 0.510 121.764 121.223 0.052 0.000 2.201 253 L HA -0.141 4.199 4.340 0.001 0.000 0.212 253 L C 2.610 179.445 176.870 -0.059 0.000 1.105 253 L CA 1.042 55.861 54.840 -0.035 0.000 0.775 253 L CB -0.281 41.755 42.059 -0.039 0.000 0.913 253 L HN 0.379 nan 8.230 nan 0.000 0.440 254 S N -0.556 115.120 115.700 -0.040 0.000 2.436 254 S HA -0.112 4.359 4.470 0.001 0.000 0.228 254 S C 1.856 176.427 174.600 -0.048 0.000 1.014 254 S CA 0.439 58.609 58.200 -0.050 0.000 0.950 254 S CB -0.088 63.081 63.200 -0.051 0.000 0.784 254 S HN 0.398 nan 8.310 nan 0.000 0.504 255 K N 0.747 121.136 120.400 -0.018 0.000 2.076 255 K HA 0.156 4.477 4.320 0.001 0.000 0.204 255 K C 2.302 178.893 176.600 -0.014 0.000 1.051 255 K CA 1.219 57.514 56.287 0.013 0.000 0.949 255 K CB -0.315 32.235 32.500 0.083 0.000 0.726 255 K HN 0.394 nan 8.250 nan 0.000 0.443 256 M N 1.021 120.539 119.600 -0.136 0.000 2.117 256 M HA -0.136 4.344 4.480 0.001 0.000 0.262 256 M C 2.180 178.355 176.300 -0.210 0.000 1.065 256 M CA 1.554 56.601 55.300 -0.421 0.000 1.114 256 M CB -0.080 32.085 32.600 -0.725 0.000 1.361 256 M HN 0.183 nan 8.290 nan 0.000 0.408 257 A N 0.206 122.936 122.820 -0.149 0.000 1.858 257 A HA -0.250 4.071 4.320 0.001 0.000 0.216 257 A C 1.852 179.364 177.584 -0.121 0.000 1.190 257 A CA 2.185 54.155 52.037 -0.112 0.000 0.617 257 A CB -1.007 17.942 19.000 -0.085 0.000 0.827 257 A HN 0.653 nan 8.150 nan 0.000 0.443 258 E N 0.450 120.580 120.200 -0.115 0.000 2.097 258 E HA -0.238 4.113 4.350 0.001 0.000 0.196 258 E C 1.439 177.900 176.600 -0.232 0.000 1.000 258 E CA 1.950 58.266 56.400 -0.140 0.000 0.804 258 E CB -0.261 29.377 29.700 -0.104 0.000 0.740 258 E HN 0.568 nan 8.360 nan 0.000 0.454 259 D N -0.483 119.781 120.400 -0.227 0.000 2.078 259 D HA -0.136 4.504 4.640 0.001 0.000 0.193 259 D C 1.846 177.753 176.300 -0.656 0.000 0.990 259 D CA 0.924 54.647 54.000 -0.461 0.000 0.827 259 D CB -0.259 40.512 40.800 -0.048 0.000 0.975 259 D HN 0.188 nan 8.370 nan 0.000 0.451 260 L N 0.899 121.973 121.223 -0.249 0.000 2.083 260 L HA -0.090 4.251 4.340 0.001 0.000 0.209 260 L C 2.479 179.292 176.870 -0.095 0.000 1.083 260 L CA 0.967 55.761 54.840 -0.076 0.000 0.752 260 L CB -1.009 41.069 42.059 0.032 0.000 0.899 260 L HN 0.106 nan 8.230 nan 0.000 0.433 261 I N -0.964 119.520 120.570 -0.142 0.000 2.226 261 I HA -0.319 3.852 4.170 0.001 0.000 0.245 261 I C 2.398 178.405 176.117 -0.184 0.000 1.100 261 I CA 1.226 62.453 61.300 -0.121 0.000 1.374 261 I CB -0.151 37.782 38.000 -0.112 0.000 1.057 261 I HN 0.156 nan 8.210 nan 0.000 0.413 262 I N -0.386 119.987 120.570 -0.328 0.000 2.252 262 I HA -0.301 3.869 4.170 0.001 0.000 0.245 262 I C 2.285 178.105 176.117 -0.496 0.000 1.102 262 I CA 1.304 62.300 61.300 -0.506 0.000 1.385 262 I CB -0.426 37.139 38.000 -0.725 0.000 1.064 262 I HN 0.190 nan 8.210 nan 0.000 0.414 263 Y N 0.784 120.835 120.300 -0.414 0.000 2.497 263 Y HA -0.124 4.426 4.550 0.001 0.000 0.292 263 Y C 2.860 178.688 175.900 -0.121 0.000 1.137 263 Y CA 0.757 58.705 58.100 -0.254 0.000 1.285 263 Y CB -1.138 37.343 38.460 0.036 0.000 0.991 263 Y HN 0.279 nan 8.280 nan 0.000 0.556 264 S N -1.027 114.701 115.700 0.047 0.000 2.593 264 S HA 0.001 4.472 4.470 0.001 0.000 0.217 264 S C 0.989 175.595 174.600 0.010 0.000 0.966 264 S CA 0.044 58.269 58.200 0.042 0.000 0.914 264 S CB -1.120 62.100 63.200 0.034 0.000 0.776 264 S HN 0.381 nan 8.310 nan 0.000 0.523 265 T N 0.632 115.174 114.554 -0.019 0.000 2.802 265 T HA 0.270 4.620 4.350 0.001 0.000 0.305 265 T C 1.363 176.081 174.700 0.030 0.000 1.053 265 T CA 0.062 62.165 62.100 0.005 0.000 1.058 265 T CB 0.944 69.825 68.868 0.022 0.000 0.988 265 T HN 0.336 nan 8.240 nan 0.000 0.539 266 S N 0.112 115.828 115.700 0.026 0.000 2.436 266 S HA -0.047 4.424 4.470 0.001 0.000 0.228 266 S C 1.596 176.201 174.600 0.009 0.000 1.014 266 S CA 0.404 58.613 58.200 0.015 0.000 0.950 266 S CB -0.488 62.718 63.200 0.009 0.000 0.784 266 S HN 0.776 nan 8.310 nan 0.000 0.504 267 E N 1.152 121.374 120.200 0.037 0.000 2.077 267 E HA 0.055 4.406 4.350 0.001 0.000 0.193 267 E C 1.397 177.942 176.600 -0.092 0.000 0.989 267 E CA 1.242 57.645 56.400 0.005 0.000 0.800 267 E CB -0.401 29.340 29.700 0.069 0.000 0.746 267 E HN 0.589 nan 8.360 nan 0.000 0.452 268 F N -0.679 119.114 119.950 -0.262 0.000 2.147 268 F HA 0.193 4.721 4.527 0.000 0.000 0.291 268 F C 1.962 177.432 175.800 -0.549 0.000 1.093 268 F CA 1.229 58.886 58.000 -0.571 0.000 1.263 268 F CB -0.518 38.062 39.000 -0.701 0.000 1.036 268 F HN 0.166 nan 8.300 nan 0.000 0.481 269 G N -0.484 108.253 108.800 -0.104 0.000 2.179 269 G HA2 -0.317 3.643 3.960 0.001 0.000 0.257 269 G HA3 -0.317 3.643 3.960 0.001 0.000 0.257 269 G C 0.815 175.771 174.900 0.094 0.000 1.010 269 G CA 0.512 45.601 45.100 -0.018 0.000 0.736 269 G HN 0.239 nan 8.290 nan 0.000 0.513 270 F N -0.545 119.400 119.950 -0.008 0.000 2.367 270 F HA 0.390 4.917 4.527 0.001 0.000 0.298 270 F C 1.522 177.220 175.800 -0.169 0.000 1.094 270 F CA 0.921 58.827 58.000 -0.157 0.000 1.409 270 F CB -0.399 38.419 39.000 -0.304 0.000 1.064 270 F HN 0.495 nan 8.300 nan 0.000 0.528 271 L N -3.562 117.733 121.223 0.120 0.000 2.720 271 L HA 0.778 5.118 4.340 0.001 0.000 0.261 271 L C -0.671 176.244 176.870 0.075 0.000 1.046 271 L CA -0.982 53.895 54.840 0.063 0.000 0.886 271 L CB 1.881 43.985 42.059 0.074 0.000 1.493 271 L HN -0.160 nan 8.230 nan 0.000 0.407 272 T N -0.967 113.627 114.554 0.067 0.000 2.916 272 T HA 0.771 5.121 4.350 0.001 0.000 0.298 272 T C -0.572 174.179 174.700 0.085 0.000 1.031 272 T CA -0.631 61.509 62.100 0.067 0.000 0.993 272 T CB 1.428 70.326 68.868 0.050 0.000 1.045 272 T HN 0.638 nan 8.240 nan 0.000 0.454 273 L N 2.786 124.066 121.223 0.094 0.000 2.475 273 L HA 0.572 4.912 4.340 0.001 0.000 0.253 273 L C 1.295 178.245 176.870 0.133 0.000 1.198 273 L CA 0.105 55.019 54.840 0.124 0.000 0.814 273 L CB 0.835 42.975 42.059 0.136 0.000 1.134 273 L HN 1.062 nan 8.230 nan 0.000 0.478 274 S N -1.028 114.786 115.700 0.190 0.000 2.614 274 S HA 0.137 4.607 4.470 0.001 0.000 0.265 274 S C 0.580 175.248 174.600 0.112 0.000 1.303 274 S CA -0.594 57.700 58.200 0.156 0.000 1.000 274 S CB 0.570 63.892 63.200 0.203 0.000 0.935 274 S HN 0.563 nan 8.310 nan 0.000 0.551 275 D N 1.190 121.617 120.400 0.046 0.000 2.218 275 D HA -0.033 4.607 4.640 0.001 0.000 0.204 275 D C 2.067 178.331 176.300 -0.061 0.000 0.976 275 D CA 1.489 55.491 54.000 0.004 0.000 0.853 275 D CB -0.669 40.126 40.800 -0.008 0.000 0.939 275 D HN 0.724 nan 8.370 nan 0.000 0.481 276 A N -0.140 122.594 122.820 -0.143 0.000 2.067 276 A HA -0.101 4.219 4.320 0.001 0.000 0.219 276 A C 1.297 178.511 177.584 -0.617 0.000 1.158 276 A CA 0.728 52.523 52.037 -0.403 0.000 0.661 276 A CB -0.522 18.136 19.000 -0.569 0.000 0.801 276 A HN 0.183 nan 8.150 nan 0.000 0.452 277 F N -0.066 119.893 119.950 0.015 0.000 2.772 277 F HA 0.320 4.847 4.527 0.000 0.000 0.302 277 F C 0.439 176.245 175.800 0.011 0.000 1.136 277 F CA -0.115 57.893 58.000 0.013 0.000 1.322 277 F CB 0.433 39.444 39.000 0.017 0.000 0.967 277 F HN -0.031 nan 8.300 nan 0.000 0.513 278 S N -0.912 114.838 115.700 0.083 0.000 2.697 278 S HA 0.828 5.298 4.470 0.001 0.000 0.289 278 S C -0.286 174.327 174.600 0.021 0.000 1.149 278 S CA -0.835 57.402 58.200 0.062 0.000 0.850 278 S CB 2.207 65.442 63.200 0.058 0.000 1.151 278 S HN 0.114 nan 8.310 nan 0.000 0.491 279 T N -1.803 112.763 114.554 0.019 0.000 2.853 279 T HA 0.772 5.123 4.350 0.001 0.000 0.311 279 T C 0.097 174.802 174.700 0.008 0.000 1.307 279 T CA -0.626 61.478 62.100 0.006 0.000 1.019 279 T CB 1.230 70.101 68.868 0.005 0.000 1.264 279 T HN 0.800 nan 8.240 nan 0.000 0.497 280 G N -0.023 108.779 108.800 0.003 0.000 2.641 280 G HA2 0.599 4.560 3.960 0.001 0.000 0.239 280 G HA3 0.599 4.560 3.960 0.001 0.000 0.239 280 G C -0.697 174.205 174.900 0.003 0.000 1.402 280 G CA -0.525 44.577 45.100 0.004 0.000 1.046 280 G HN 1.089 nan 8.290 nan 0.000 0.565 281 S N -1.640 114.061 115.700 0.003 0.000 2.561 281 S HA 0.384 4.854 4.470 0.001 0.000 0.303 281 S C 1.202 175.803 174.600 0.001 0.000 1.110 281 S CA 0.304 58.505 58.200 0.002 0.000 1.034 281 S CB 1.557 64.758 63.200 0.003 0.000 1.010 281 S HN 1.090 nan 8.310 nan 0.000 0.482 282 S N 4.932 120.633 115.700 0.001 0.000 2.507 282 S HA 0.010 4.480 4.470 0.001 0.000 0.235 282 S C 1.368 175.968 174.600 0.001 0.000 0.988 282 S CA 0.393 58.593 58.200 0.000 0.000 0.944 282 S CB -0.278 62.922 63.200 0.000 0.000 0.762 282 S HN 0.726 nan 8.310 nan 0.000 0.526 283 L N -0.604 120.620 121.223 0.001 0.000 2.433 283 L HA 0.475 4.815 4.340 0.001 0.000 0.200 283 L C 0.332 177.203 176.870 0.001 0.000 1.059 283 L CA 0.428 55.269 54.840 0.001 0.000 0.835 283 L CB 0.145 42.205 42.059 0.001 0.000 1.076 283 L HN 0.341 nan 8.230 nan 0.000 0.481 284 M N 1.627 121.227 119.600 0.001 0.000 2.111 284 M HA 0.214 4.694 4.480 0.001 0.000 0.351 284 M C -1.729 174.573 176.300 0.002 0.000 1.214 284 M CA -1.620 53.681 55.300 0.002 0.000 1.120 284 M CB 1.088 33.689 32.600 0.002 0.000 1.443 284 M HN -0.136 nan 8.290 nan 0.000 0.429 285 P HA -0.226 nan 4.420 nan 0.000 0.219 285 P C 1.409 178.711 177.300 0.002 0.000 1.146 285 P CA 1.113 64.214 63.100 0.002 0.000 0.808 285 P CB -0.016 31.685 31.700 0.001 0.000 0.779 286 Q N -0.392 119.409 119.800 0.003 0.000 2.311 286 Q HA -0.059 4.282 4.340 0.001 0.000 0.203 286 Q C 0.355 176.358 176.000 0.005 0.000 0.954 286 Q CA 1.026 56.831 55.803 0.004 0.000 0.885 286 Q CB -0.517 28.223 28.738 0.003 0.000 0.963 286 Q HN 0.116 nan 8.270 nan 0.000 0.471 287 K N 2.015 122.418 120.400 0.005 0.000 2.485 287 K HA 0.115 4.435 4.320 0.001 0.000 0.277 287 K C -0.057 176.548 176.600 0.008 0.000 0.990 287 K CA 0.228 56.519 56.287 0.006 0.000 0.994 287 K CB 0.505 33.008 32.500 0.005 0.000 0.906 287 K HN 0.008 nan 8.250 nan 0.000 0.488 288 K N 3.643 124.049 120.400 0.011 0.000 2.690 288 K HA 0.217 4.538 4.320 0.001 0.000 0.243 288 K C -1.269 175.341 176.600 0.018 0.000 0.982 288 K CA -0.402 55.894 56.287 0.015 0.000 0.955 288 K CB 0.652 33.163 32.500 0.018 0.000 1.185 288 K HN 0.519 nan 8.250 nan 0.000 0.467 289 N N 3.862 122.573 118.700 0.019 0.000 2.417 289 N HA 0.367 5.108 4.740 0.001 0.000 0.300 289 N C -2.370 173.157 175.510 0.030 0.000 1.102 289 N CA -1.511 51.550 53.050 0.019 0.000 0.886 289 N CB 1.758 40.253 38.487 0.013 0.000 1.203 289 N HN 0.273 nan 8.380 nan 0.000 0.496 290 P HA 0.168 nan 4.420 nan 0.000 0.220 290 P C -0.413 176.910 177.300 0.038 0.000 1.778 290 P CA -0.119 63.005 63.100 0.040 0.000 0.912 290 P CB 0.033 31.747 31.700 0.023 0.000 1.861 291 D N 0.884 121.310 120.400 0.043 0.000 2.149 291 D HA -0.214 4.427 4.640 0.001 0.000 0.194 291 D C 2.231 178.562 176.300 0.051 0.000 1.001 291 D CA 2.286 56.309 54.000 0.039 0.000 0.849 291 D CB -0.505 40.318 40.800 0.039 0.000 0.939 291 D HN 0.301 nan 8.370 nan 0.000 0.449 292 S N 0.279 116.033 115.700 0.091 0.000 2.372 292 S HA -0.217 4.253 4.470 0.001 0.000 0.227 292 S C 2.127 176.746 174.600 0.033 0.000 1.044 292 S CA 1.024 59.285 58.200 0.103 0.000 1.050 292 S CB -0.861 62.456 63.200 0.195 0.000 0.901 292 S HN 0.301 nan 8.310 nan 0.000 0.447 293 L N 1.282 122.512 121.223 0.012 0.000 2.109 293 L HA -0.030 4.311 4.340 0.001 0.000 0.207 293 L C 2.924 179.781 176.870 -0.023 0.000 1.086 293 L CA 1.533 56.359 54.840 -0.022 0.000 0.760 293 L CB -0.626 41.414 42.059 -0.032 0.000 0.910 293 L HN 0.400 nan 8.230 nan 0.000 0.437 294 E N 0.303 120.496 120.200 -0.011 0.000 2.072 294 E HA -0.184 4.166 4.350 0.001 0.000 0.191 294 E C 2.347 178.942 176.600 -0.007 0.000 0.985 294 E CA 0.900 57.291 56.400 -0.014 0.000 0.801 294 E CB -0.124 29.571 29.700 -0.008 0.000 0.750 294 E HN 0.413 nan 8.360 nan 0.000 0.452 295 L N 0.820 122.045 121.223 0.004 0.000 2.012 295 L HA -0.223 4.117 4.340 0.001 0.000 0.210 295 L C 2.496 179.365 176.870 -0.001 0.000 1.073 295 L CA 1.131 55.976 54.840 0.008 0.000 0.748 295 L CB -0.392 41.679 42.059 0.021 0.000 0.891 295 L HN 0.172 nan 8.230 nan 0.000 0.431 296 I N -0.599 119.966 120.570 -0.008 0.000 2.179 296 I HA -0.327 3.843 4.170 0.001 0.000 0.242 296 I C 2.853 178.955 176.117 -0.026 0.000 1.088 296 I CA 1.258 62.546 61.300 -0.020 0.000 1.357 296 I CB -0.336 37.642 38.000 -0.036 0.000 1.051 296 I HN 0.257 nan 8.210 nan 0.000 0.409 297 R N 1.073 121.554 120.500 -0.031 0.000 2.091 297 R HA -0.201 4.139 4.340 0.001 0.000 0.238 297 R C 2.475 178.761 176.300 -0.024 0.000 1.136 297 R CA 2.088 58.167 56.100 -0.035 0.000 0.959 297 R CB -0.202 30.073 30.300 -0.040 0.000 0.856 297 R HN 0.470 nan 8.270 nan 0.000 0.437 298 S N 0.035 115.727 115.700 -0.014 0.000 2.453 298 S HA -0.021 4.450 4.470 0.001 0.000 0.231 298 S C 1.535 176.137 174.600 0.003 0.000 1.005 298 S CA 0.524 58.722 58.200 -0.004 0.000 0.949 298 S CB 0.045 63.245 63.200 0.000 0.000 0.774 298 S HN 0.202 nan 8.310 nan 0.000 0.510 299 K N 1.817 122.216 120.400 -0.001 0.000 2.362 299 K HA 0.245 4.566 4.320 0.001 0.000 0.200 299 K C 2.267 178.869 176.600 0.004 0.000 1.046 299 K CA 0.977 57.266 56.287 0.003 0.000 0.952 299 K CB -1.012 31.487 32.500 -0.001 0.000 0.753 299 K HN 0.528 nan 8.250 nan 0.000 0.466 300 A N 1.084 123.901 122.820 -0.005 0.000 1.908 300 A HA -0.098 4.222 4.320 0.001 0.000 0.218 300 A C 2.471 180.082 177.584 0.045 0.000 1.181 300 A CA 2.095 54.128 52.037 -0.007 0.000 0.627 300 A CB -1.041 17.936 19.000 -0.038 0.000 0.818 300 A HN 0.361 nan 8.150 nan 0.000 0.445 301 G N -0.810 108.021 108.800 0.051 0.000 2.402 301 G HA2 -0.238 3.723 3.960 0.001 0.000 0.216 301 G HA3 -0.238 3.723 3.960 0.001 0.000 0.216 301 G C 1.730 176.695 174.900 0.107 0.000 1.162 301 G CA 0.984 46.151 45.100 0.113 0.000 0.777 301 G HN 0.558 nan 8.290 nan 0.000 0.539 302 R N 0.017 120.547 120.500 0.051 0.000 2.083 302 R HA -0.075 4.265 4.340 0.001 0.000 0.237 302 R C 2.560 178.867 176.300 0.012 0.000 1.137 302 R CA 1.793 57.907 56.100 0.023 0.000 0.951 302 R CB -0.451 29.859 30.300 0.017 0.000 0.851 302 R HN 0.261 nan 8.270 nan 0.000 0.434 303 V N 0.849 120.776 119.914 0.021 0.000 2.515 303 V HA -0.199 3.922 4.120 0.001 0.000 0.250 303 V C 2.027 178.136 176.094 0.025 0.000 1.058 303 V CA 1.552 63.850 62.300 -0.004 0.000 1.064 303 V CB -0.701 31.106 31.823 -0.027 0.000 0.675 303 V HN 0.330 nan 8.190 nan 0.000 0.461 304 F N 2.381 122.287 119.950 -0.074 0.000 2.186 304 F HA 0.032 4.559 4.527 0.000 0.000 0.299 304 F C 2.115 177.879 175.800 -0.060 0.000 1.090 304 F CA 1.288 59.245 58.000 -0.071 0.000 1.307 304 F CB -0.880 38.082 39.000 -0.063 0.000 1.019 304 F HN 0.133 nan 8.300 nan 0.000 0.489 305 G N 0.638 109.287 108.800 -0.250 0.000 2.422 305 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 305 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 305 G C 1.816 176.552 174.900 -0.273 0.000 1.146 305 G CA 0.382 45.285 45.100 -0.329 0.000 0.769 305 G HN 0.170 nan 8.290 nan 0.000 0.547 306 R N -0.140 120.254 120.500 -0.176 0.000 2.075 306 R HA 0.030 4.370 4.340 0.001 0.000 0.232 306 R C 2.462 178.662 176.300 -0.166 0.000 1.126 306 R CA 0.839 56.854 56.100 -0.141 0.000 0.963 306 R CB -1.268 28.978 30.300 -0.089 0.000 0.858 306 R HN 0.469 nan 8.270 nan 0.000 0.435 307 L N 0.831 121.943 121.223 -0.186 0.000 2.017 307 L HA -0.029 4.311 4.340 0.001 0.000 0.208 307 L C 2.202 178.936 176.870 -0.227 0.000 1.073 307 L CA 2.148 56.891 54.840 -0.162 0.000 0.745 307 L CB -0.836 41.175 42.059 -0.080 0.000 0.894 307 L HN 0.142 nan 8.230 nan 0.000 0.432 308 A N -0.444 122.124 122.820 -0.420 0.000 1.908 308 A HA -0.256 4.064 4.320 0.001 0.000 0.218 308 A C 2.504 179.947 177.584 -0.236 0.000 1.181 308 A CA 2.478 54.278 52.037 -0.395 0.000 0.627 308 A CB -1.314 17.305 19.000 -0.636 0.000 0.818 308 A HN 0.719 nan 8.150 nan 0.000 0.445 309 S N 0.004 115.573 115.700 -0.218 0.000 2.356 309 S HA -0.145 4.326 4.470 0.001 0.000 0.223 309 S C 1.794 176.317 174.600 -0.128 0.000 1.032 309 S CA 1.514 59.622 58.200 -0.153 0.000 1.005 309 S CB -0.572 62.545 63.200 -0.138 0.000 0.867 309 S HN 0.336 nan 8.310 nan 0.000 0.449 310 I N 2.175 122.669 120.570 -0.128 0.000 2.252 310 I HA -0.022 4.148 4.170 0.001 0.000 0.245 310 I C 2.502 178.558 176.117 -0.102 0.000 1.102 310 I CA 0.808 62.041 61.300 -0.113 0.000 1.385 310 I CB -1.542 36.391 38.000 -0.111 0.000 1.064 310 I HN 0.315 nan 8.210 nan 0.000 0.414 311 L N -0.273 120.890 121.223 -0.100 0.000 2.079 311 L HA -0.237 4.103 4.340 0.001 0.000 0.210 311 L C 2.688 179.514 176.870 -0.074 0.000 1.081 311 L CA 1.422 56.215 54.840 -0.078 0.000 0.752 311 L CB -0.416 41.602 42.059 -0.068 0.000 0.896 311 L HN 0.251 nan 8.230 nan 0.000 0.433 312 M N -0.753 118.796 119.600 -0.085 0.000 2.132 312 M HA -0.158 4.322 4.480 0.001 0.000 0.263 312 M C 2.168 178.424 176.300 -0.073 0.000 1.065 312 M CA 1.483 56.738 55.300 -0.074 0.000 1.122 312 M CB 0.045 32.597 32.600 -0.081 0.000 1.365 312 M HN -0.018 nan 8.290 nan 0.000 0.411 313 V N 1.038 120.902 119.914 -0.083 0.000 2.392 313 V HA -0.291 3.829 4.120 0.001 0.000 0.249 313 V C 2.278 178.321 176.094 -0.084 0.000 1.059 313 V CA 1.729 63.978 62.300 -0.085 0.000 1.051 313 V CB -0.662 31.104 31.823 -0.095 0.000 0.658 313 V HN 0.538 nan 8.190 nan 0.000 0.455 314 L N -0.860 120.314 121.223 -0.081 0.000 2.127 314 L HA 0.030 4.371 4.340 0.001 0.000 0.203 314 L C 1.552 178.386 176.870 -0.059 0.000 1.080 314 L CA 0.537 55.333 54.840 -0.074 0.000 0.768 314 L CB -0.317 41.699 42.059 -0.072 0.000 0.924 314 L HN 0.155 nan 8.230 nan 0.000 0.444 315 K N 1.429 121.798 120.400 -0.052 0.000 2.530 315 K HA -0.095 4.225 4.320 0.001 0.000 0.280 315 K C 0.917 177.493 176.600 -0.040 0.000 1.004 315 K CA 1.074 57.336 56.287 -0.041 0.000 1.071 315 K CB 0.252 32.729 32.500 -0.038 0.000 0.876 315 K HN 0.363 nan 8.250 nan 0.000 0.487 316 G N 3.484 112.264 108.800 -0.033 0.000 2.175 316 G HA2 -0.276 3.685 3.960 0.001 0.000 0.265 316 G HA3 -0.276 3.685 3.960 0.001 0.000 0.265 316 G C 0.262 175.140 174.900 -0.036 0.000 0.979 316 G CA 0.510 45.592 45.100 -0.031 0.000 0.663 316 G HN 0.541 nan 8.290 nan 0.000 0.533 317 L N 2.030 123.227 121.223 -0.044 0.000 2.371 317 L HA 0.400 4.741 4.340 0.001 0.000 0.272 317 L C -0.675 176.169 176.870 -0.043 0.000 1.124 317 L CA -1.686 53.122 54.840 -0.053 0.000 0.816 317 L CB 0.682 42.697 42.059 -0.074 0.000 1.129 317 L HN 0.091 nan 8.230 nan 0.000 0.448 318 P HA 0.195 nan 4.420 nan 0.000 0.276 318 P C -0.713 176.573 177.300 -0.024 0.000 1.252 318 P CA -0.544 62.540 63.100 -0.027 0.000 0.802 318 P CB 1.062 32.748 31.700 -0.023 0.000 1.035 319 S N -0.172 115.521 115.700 -0.011 0.000 2.585 319 S HA 0.219 4.690 4.470 0.001 0.000 0.273 319 S C 1.050 175.654 174.600 0.006 0.000 1.339 319 S CA -0.133 58.066 58.200 0.000 0.000 1.028 319 S CB 0.730 63.934 63.200 0.006 0.000 0.906 319 S HN 0.541 nan 8.310 nan 0.000 0.528 320 T N 0.397 114.967 114.554 0.026 0.000 3.610 320 T HA 0.182 4.532 4.350 0.001 0.000 0.209 320 T C -0.372 174.366 174.700 0.064 0.000 0.889 320 T CA 0.058 62.186 62.100 0.046 0.000 1.469 320 T CB -0.324 68.580 68.868 0.060 0.000 1.557 320 T HN 0.579 nan 8.240 nan 0.000 0.431 321 Y N 2.682 122.973 120.300 -0.016 0.000 2.301 321 Y HA 0.473 5.024 4.550 0.001 0.000 0.325 321 Y C -0.305 175.583 175.900 -0.020 0.000 1.203 321 Y CA -0.671 57.418 58.100 -0.019 0.000 1.255 321 Y CB 0.500 38.944 38.460 -0.026 0.000 1.232 321 Y HN 0.224 nan 8.280 nan 0.000 0.501 322 N N 4.063 122.230 118.700 -0.889 0.000 2.264 322 N HA 0.106 4.846 4.740 0.001 0.000 0.288 322 N C -0.215 174.766 175.510 -0.881 0.000 1.094 322 N CA -0.728 51.968 53.050 -0.590 0.000 0.817 322 N CB 2.047 40.352 38.487 -0.303 0.000 1.604 322 N HN 0.571 nan 8.380 nan 0.000 0.473 323 K N 1.126 121.285 120.400 -0.400 0.000 2.360 323 K HA -0.088 4.233 4.320 0.001 0.000 0.201 323 K C 0.308 176.796 176.600 -0.188 0.000 1.046 323 K CA 1.577 57.746 56.287 -0.198 0.000 0.940 323 K CB -0.044 32.446 32.500 -0.016 0.000 0.748 323 K HN 0.452 nan 8.250 nan 0.000 0.465 324 D N 0.239 120.512 120.400 -0.213 0.000 2.149 324 D HA -0.163 4.478 4.640 0.001 0.000 0.198 324 D C 1.488 177.695 176.300 -0.155 0.000 0.990 324 D CA 1.218 55.126 54.000 -0.152 0.000 0.839 324 D CB -0.094 40.620 40.800 -0.142 0.000 0.948 324 D HN 0.217 nan 8.370 nan 0.000 0.460 325 L N 0.321 121.407 121.223 -0.228 0.000 2.261 325 L HA -0.199 4.141 4.340 0.001 0.000 0.216 325 L C 2.347 179.172 176.870 -0.076 0.000 1.114 325 L CA 0.797 55.538 54.840 -0.165 0.000 0.777 325 L CB -0.478 41.454 42.059 -0.212 0.000 0.910 325 L HN 0.097 nan 8.230 nan 0.000 0.440 326 Q N 0.312 120.083 119.800 -0.047 0.000 2.368 326 Q HA -0.210 4.130 4.340 0.001 0.000 0.210 326 Q C 1.831 177.810 176.000 -0.034 0.000 0.982 326 Q CA 1.037 56.842 55.803 0.004 0.000 0.884 326 Q CB 0.149 28.906 28.738 0.031 0.000 0.933 326 Q HN 0.398 nan 8.270 nan 0.000 0.460 327 E N 0.895 121.057 120.200 -0.064 0.000 2.409 327 E HA -0.156 4.195 4.350 0.001 0.000 0.198 327 E C 1.284 177.823 176.600 -0.101 0.000 1.024 327 E CA 1.067 57.416 56.400 -0.085 0.000 0.861 327 E CB 0.015 29.663 29.700 -0.088 0.000 0.788 327 E HN 0.661 nan 8.360 nan 0.000 0.521 328 D N 1.167 121.514 120.400 -0.089 0.000 2.117 328 D HA -0.204 4.437 4.640 0.001 0.000 0.197 328 D C 1.546 177.790 176.300 -0.094 0.000 0.987 328 D CA 1.090 55.033 54.000 -0.095 0.000 0.829 328 D CB -0.386 40.352 40.800 -0.103 0.000 0.961 328 D HN 0.073 nan 8.370 nan 0.000 0.460 329 K N 0.371 120.717 120.400 -0.090 0.000 2.015 329 K HA -0.250 4.070 4.320 0.001 0.000 0.216 329 K C 2.335 178.800 176.600 -0.224 0.000 1.052 329 K CA 1.865 58.076 56.287 -0.127 0.000 0.937 329 K CB -0.312 32.124 32.500 -0.107 0.000 0.719 329 K HN 0.336 nan 8.250 nan 0.000 0.446 330 E N 0.529 120.532 120.200 -0.329 0.000 2.110 330 E HA -0.193 4.157 4.350 0.001 0.000 0.193 330 E C 1.938 178.284 176.600 -0.423 0.000 0.988 330 E CA 0.997 57.005 56.400 -0.652 0.000 0.804 330 E CB -0.025 29.237 29.700 -0.730 0.000 0.745 330 E HN 0.362 nan 8.360 nan 0.000 0.458 331 A N 0.432 123.117 122.820 -0.225 0.000 1.898 331 A HA -0.107 4.213 4.320 0.001 0.000 0.216 331 A C 2.387 179.966 177.584 -0.008 0.000 1.181 331 A CA 1.313 53.280 52.037 -0.116 0.000 0.620 331 A CB -0.585 18.361 19.000 -0.091 0.000 0.819 331 A HN 0.222 nan 8.150 nan 0.000 0.442 332 V N 0.316 120.248 119.914 0.030 0.000 2.295 332 V HA -0.262 3.858 4.120 0.001 0.000 0.246 332 V C 2.432 178.670 176.094 0.240 0.000 1.049 332 V CA 2.053 64.473 62.300 0.199 0.000 1.024 332 V CB -0.674 31.232 31.823 0.139 0.000 0.648 332 V HN 0.574 nan 8.190 nan 0.000 0.447 333 I N 0.527 121.148 120.570 0.085 0.000 2.226 333 I HA -0.255 3.915 4.170 0.001 0.000 0.245 333 I C 2.355 178.596 176.117 0.208 0.000 1.100 333 I CA 2.106 63.495 61.300 0.148 0.000 1.374 333 I CB -0.456 37.564 38.000 0.033 0.000 1.057 333 I HN 0.402 nan 8.210 nan 0.000 0.413 334 D N 0.667 121.132 120.400 0.108 0.000 2.144 334 D HA -0.133 4.507 4.640 0.001 0.000 0.200 334 D C 2.095 178.474 176.300 0.132 0.000 0.978 334 D CA 1.108 55.185 54.000 0.128 0.000 0.833 334 D CB 0.128 40.952 40.800 0.040 0.000 0.961 334 D HN 0.082 nan 8.370 nan 0.000 0.470 335 V N -0.264 119.738 119.914 0.147 0.000 2.591 335 V HA -0.113 4.007 4.120 0.001 0.000 0.249 335 V C 2.548 178.778 176.094 0.227 0.000 1.053 335 V CA 0.843 63.222 62.300 0.131 0.000 1.068 335 V CB 0.048 31.910 31.823 0.065 0.000 0.689 335 V HN 0.140 nan 8.190 nan 0.000 0.462 336 V N 0.191 120.323 119.914 0.364 0.000 2.427 336 V HA -0.222 3.898 4.120 0.001 0.000 0.248 336 V C 2.180 178.406 176.094 0.219 0.000 1.051 336 V CA 2.103 64.619 62.300 0.359 0.000 1.048 336 V CB -0.504 31.521 31.823 0.336 0.000 0.666 336 V HN 0.563 nan 8.190 nan 0.000 0.456 337 D N -0.668 119.852 120.400 0.199 0.000 2.194 337 D HA -0.083 4.557 4.640 0.001 0.000 0.204 337 D C 2.268 178.625 176.300 0.095 0.000 0.964 337 D CA 1.367 55.452 54.000 0.142 0.000 0.846 337 D CB -0.158 40.732 40.800 0.151 0.000 0.962 337 D HN 0.374 nan 8.370 nan 0.000 0.490 338 T N 1.013 115.622 114.554 0.092 0.000 2.737 338 T HA -0.021 4.329 4.350 0.001 0.000 0.265 338 T C 2.230 176.951 174.700 0.036 0.000 1.038 338 T CA 0.428 62.560 62.100 0.054 0.000 1.144 338 T CB -0.178 68.716 68.868 0.043 0.000 0.866 338 T HN 0.095 nan 8.240 nan 0.000 0.434 339 L N 0.702 121.957 121.223 0.053 0.000 1.989 339 L HA -0.160 4.181 4.340 0.001 0.000 0.211 339 L C 2.970 179.852 176.870 0.021 0.000 1.071 339 L CA 1.387 56.252 54.840 0.042 0.000 0.749 339 L CB -1.100 41.011 42.059 0.086 0.000 0.890 339 L HN 0.279 nan 8.230 nan 0.000 0.431 340 T N -0.229 114.347 114.554 0.036 0.000 2.665 340 T HA -0.257 4.094 4.350 0.001 0.000 0.268 340 T C 1.881 176.499 174.700 -0.138 0.000 1.035 340 T CA 1.602 63.676 62.100 -0.042 0.000 1.151 340 T CB -0.266 68.614 68.868 0.021 0.000 0.862 340 T HN 0.489 nan 8.240 nan 0.000 0.438 341 A N 0.557 123.345 122.820 -0.054 0.000 1.872 341 A HA 0.005 4.325 4.320 0.001 0.000 0.214 341 A C 2.603 180.158 177.584 -0.048 0.000 1.187 341 A CA 1.191 53.199 52.037 -0.049 0.000 0.614 341 A CB -1.027 17.972 19.000 -0.002 0.000 0.826 341 A HN 0.328 nan 8.150 nan 0.000 0.442 342 V N 0.229 120.124 119.914 -0.031 0.000 2.287 342 V HA -0.278 3.843 4.120 0.001 0.000 0.248 342 V C 2.615 178.679 176.094 -0.050 0.000 1.053 342 V CA 2.105 64.387 62.300 -0.030 0.000 1.027 342 V CB -0.681 31.130 31.823 -0.020 0.000 0.646 342 V HN 0.574 nan 8.190 nan 0.000 0.447 343 L N -0.754 120.434 121.223 -0.058 0.000 2.046 343 L HA -0.265 4.075 4.340 0.001 0.000 0.208 343 L C 2.677 179.501 176.870 -0.077 0.000 1.077 343 L CA 1.791 56.600 54.840 -0.052 0.000 0.747 343 L CB -0.569 41.485 42.059 -0.008 0.000 0.896 343 L HN 0.394 nan 8.230 nan 0.000 0.432 344 Q N -0.912 118.799 119.800 -0.148 0.000 2.119 344 Q HA -0.159 4.181 4.340 0.001 0.000 0.201 344 Q C 2.332 178.306 176.000 -0.042 0.000 0.972 344 Q CA 1.251 56.989 55.803 -0.109 0.000 0.847 344 Q CB -0.107 28.524 28.738 -0.179 0.000 0.903 344 Q HN 0.355 nan 8.270 nan 0.000 0.433 345 V N 0.959 120.853 119.914 -0.034 0.000 2.358 345 V HA -0.252 3.868 4.120 0.001 0.000 0.246 345 V C 2.270 178.238 176.094 -0.210 0.000 1.047 345 V CA 1.726 64.013 62.300 -0.021 0.000 1.035 345 V CB -0.880 30.970 31.823 0.045 0.000 0.658 345 V HN 0.384 nan 8.190 nan 0.000 0.452 346 A N -0.310 122.421 122.820 -0.149 0.000 1.908 346 A HA -0.247 4.074 4.320 0.001 0.000 0.218 346 A C 2.398 179.862 177.584 -0.199 0.000 1.181 346 A CA 2.594 54.528 52.037 -0.173 0.000 0.627 346 A CB -0.963 17.970 19.000 -0.111 0.000 0.818 346 A HN 0.502 nan 8.150 nan 0.000 0.445 347 T N -0.282 114.187 114.554 -0.142 0.000 2.674 347 T HA -0.050 4.301 4.350 0.001 0.000 0.265 347 T C 2.014 176.617 174.700 -0.162 0.000 1.039 347 T CA 1.566 63.604 62.100 -0.102 0.000 1.150 347 T CB -0.759 68.094 68.868 -0.025 0.000 0.864 347 T HN 0.601 nan 8.240 nan 0.000 0.427 348 G N 1.166 109.820 108.800 -0.244 0.000 2.476 348 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 348 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 348 G C 1.716 176.201 174.900 -0.692 0.000 1.164 348 G CA 1.076 45.974 45.100 -0.336 0.000 0.768 348 G HN 0.427 nan 8.290 nan 0.000 0.560 349 V N 1.634 120.933 119.914 -1.024 0.000 2.233 349 V HA -0.199 3.922 4.120 0.001 0.000 0.247 349 V C 2.830 178.797 176.094 -0.212 0.000 1.050 349 V CA 1.574 63.492 62.300 -0.637 0.000 1.010 349 V CB -0.407 31.145 31.823 -0.451 0.000 0.637 349 V HN 0.305 nan 8.190 nan 0.000 0.444 350 I N 1.149 121.629 120.570 -0.151 0.000 2.226 350 I HA -0.196 3.974 4.170 0.001 0.000 0.245 350 I C 2.687 178.818 176.117 0.023 0.000 1.100 350 I CA 2.335 63.619 61.300 -0.026 0.000 1.374 350 I CB -1.411 36.564 38.000 -0.041 0.000 1.057 350 I HN 0.582 nan 8.210 nan 0.000 0.413 351 S N -0.036 115.661 115.700 -0.005 0.000 2.461 351 S HA -0.086 4.384 4.470 0.001 0.000 0.228 351 S C 1.763 176.409 174.600 0.077 0.000 1.005 351 S CA 1.209 59.435 58.200 0.044 0.000 0.942 351 S CB -0.599 62.625 63.200 0.040 0.000 0.776 351 S HN 0.588 nan 8.310 nan 0.000 0.514 352 T N 0.028 114.632 114.554 0.084 0.000 3.023 352 T HA 0.415 4.765 4.350 0.001 0.000 0.253 352 T C 0.467 175.246 174.700 0.132 0.000 1.038 352 T CA -0.302 61.879 62.100 0.134 0.000 0.962 352 T CB -0.712 68.295 68.868 0.231 0.000 1.018 352 T HN 0.436 nan 8.240 nan 0.000 0.521 353 L N 0.521 121.814 121.223 0.117 0.000 2.467 353 L HA 0.501 4.842 4.340 0.001 0.000 0.270 353 L C -0.024 176.916 176.870 0.117 0.000 1.205 353 L CA -0.399 54.517 54.840 0.126 0.000 0.828 353 L CB 0.029 42.172 42.059 0.140 0.000 1.101 353 L HN 0.113 nan 8.230 nan 0.000 0.479 354 Q N 2.848 122.703 119.800 0.091 0.000 2.348 354 Q HA 0.551 4.892 4.340 0.001 0.000 0.265 354 Q C -0.644 175.364 176.000 0.013 0.000 0.998 354 Q CA -0.715 55.121 55.803 0.055 0.000 0.831 354 Q CB 1.333 30.098 28.738 0.044 0.000 1.251 354 Q HN 0.819 nan 8.270 nan 0.000 0.456 355 I N -0.013 120.531 120.570 -0.043 0.000 2.713 355 I HA 0.468 4.638 4.170 0.001 0.000 0.300 355 I C -0.146 175.884 176.117 -0.145 0.000 1.009 355 I CA -0.494 60.699 61.300 -0.180 0.000 1.305 355 I CB 1.797 39.528 38.000 -0.447 0.000 1.430 355 I HN 0.419 nan 8.210 nan 0.000 0.546 356 S N 3.174 118.777 115.700 -0.161 0.000 2.505 356 S HA 0.326 4.796 4.470 0.001 0.000 0.280 356 S C 0.726 175.227 174.600 -0.165 0.000 1.197 356 S CA -0.770 57.366 58.200 -0.107 0.000 1.138 356 S CB 0.323 63.499 63.200 -0.041 0.000 1.010 356 S HN 0.780 nan 8.310 nan 0.000 0.480 357 K N 2.442 122.743 120.400 -0.165 0.000 2.152 357 K HA -0.170 4.150 4.320 0.001 0.000 0.206 357 K C 1.858 178.368 176.600 -0.149 0.000 1.048 357 K CA 1.582 57.761 56.287 -0.180 0.000 0.933 357 K CB 0.007 32.433 32.500 -0.123 0.000 0.721 357 K HN 0.732 nan 8.250 nan 0.000 0.447 358 E N 0.902 121.040 120.200 -0.102 0.000 2.077 358 E HA -0.185 4.165 4.350 0.001 0.000 0.193 358 E C 1.534 178.085 176.600 -0.082 0.000 0.989 358 E CA 1.122 57.474 56.400 -0.080 0.000 0.800 358 E CB 0.154 29.823 29.700 -0.052 0.000 0.746 358 E HN 0.257 nan 8.360 nan 0.000 0.452 359 N N 0.104 118.768 118.700 -0.060 0.000 2.270 359 N HA -0.075 4.666 4.740 0.001 0.000 0.181 359 N C 1.784 177.268 175.510 -0.044 0.000 1.016 359 N CA 0.978 54.026 53.050 -0.003 0.000 0.870 359 N CB -0.161 38.376 38.487 0.082 0.000 0.979 359 N HN 0.275 nan 8.380 nan 0.000 0.431 360 M N 0.331 119.798 119.600 -0.222 0.000 2.213 360 M HA -0.138 4.342 4.480 0.001 0.000 0.263 360 M C 2.018 178.090 176.300 -0.380 0.000 1.062 360 M CA 1.263 56.240 55.300 -0.539 0.000 1.105 360 M CB -0.148 32.065 32.600 -0.645 0.000 1.385 360 M HN 0.093 nan 8.290 nan 0.000 0.417 361 E N 1.024 121.069 120.200 -0.259 0.000 2.046 361 E HA -0.136 4.215 4.350 0.001 0.000 0.190 361 E C 1.772 178.236 176.600 -0.227 0.000 0.982 361 E CA 1.342 57.599 56.400 -0.238 0.000 0.800 361 E CB 0.094 29.697 29.700 -0.163 0.000 0.756 361 E HN 0.313 nan 8.360 nan 0.000 0.449 362 K N 0.061 120.373 120.400 -0.145 0.000 2.152 362 K HA -0.114 4.206 4.320 0.001 0.000 0.206 362 K C 2.065 178.596 176.600 -0.115 0.000 1.048 362 K CA 1.061 57.283 56.287 -0.108 0.000 0.933 362 K CB -0.192 32.274 32.500 -0.057 0.000 0.721 362 K HN 0.204 nan 8.250 nan 0.000 0.447 363 A N 0.946 123.708 122.820 -0.097 0.000 2.172 363 A HA -0.064 4.257 4.320 0.001 0.000 0.216 363 A C 0.659 178.142 177.584 -0.169 0.000 1.154 363 A CA 0.528 52.532 52.037 -0.054 0.000 0.701 363 A CB -0.161 18.917 19.000 0.129 0.000 0.789 363 A HN 0.077 nan 8.150 nan 0.000 0.465 364 L N 2.490 123.509 121.223 -0.341 0.000 2.536 364 L HA 0.184 4.524 4.340 0.001 0.000 0.282 364 L C 0.734 177.347 176.870 -0.429 0.000 1.147 364 L CA 0.698 55.157 54.840 -0.635 0.000 0.936 364 L CB -0.524 40.807 42.059 -1.214 0.000 1.279 364 L HN 0.380 nan 8.230 nan 0.000 0.461 365 T N 1.344 115.856 114.554 -0.070 0.000 2.918 365 T HA 0.498 4.848 4.350 0.001 0.000 0.286 365 T C -1.822 173.098 174.700 0.368 0.000 1.026 365 T CA -1.992 60.193 62.100 0.142 0.000 1.031 365 T CB 1.626 70.525 68.868 0.052 0.000 1.046 365 T HN 0.214 nan 8.240 nan 0.000 0.479 366 P HA -0.211 nan 4.420 nan 0.000 0.217 366 P C 1.703 179.103 177.300 0.167 0.000 1.151 366 P CA 1.120 64.355 63.100 0.226 0.000 0.849 366 P CB 0.062 31.819 31.700 0.094 0.000 0.787 367 E N 0.012 120.284 120.200 0.119 0.000 2.267 367 E HA -0.193 4.157 4.350 0.001 0.000 0.197 367 E C 1.617 178.271 176.600 0.091 0.000 0.998 367 E CA 1.275 57.727 56.400 0.085 0.000 0.830 367 E CB -1.138 28.595 29.700 0.056 0.000 0.751 367 E HN 0.315 nan 8.360 nan 0.000 0.491 368 M N 0.265 119.939 119.600 0.124 0.000 2.630 368 M HA 0.071 4.551 4.480 0.001 0.000 0.254 368 M C 1.525 177.893 176.300 0.113 0.000 1.092 368 M CA 0.666 56.035 55.300 0.115 0.000 1.087 368 M CB 0.081 32.766 32.600 0.143 0.000 1.453 368 M HN 0.053 nan 8.290 nan 0.000 0.509 369 L N -1.154 120.123 121.223 0.091 0.000 2.667 369 L HA 0.228 4.568 4.340 0.001 0.000 0.232 369 L C 2.288 179.166 176.870 0.013 0.000 1.138 369 L CA -0.330 54.520 54.840 0.016 0.000 0.921 369 L CB -0.412 41.590 42.059 -0.095 0.000 1.180 369 L HN 0.185 nan 8.230 nan 0.000 0.487 370 A N 0.241 123.089 122.820 0.047 0.000 2.024 370 A HA -0.170 4.150 4.320 0.001 0.000 0.220 370 A C 2.293 179.907 177.584 0.049 0.000 1.164 370 A CA 2.245 54.302 52.037 0.034 0.000 0.643 370 A CB -0.542 18.469 19.000 0.019 0.000 0.806 370 A HN 0.354 nan 8.150 nan 0.000 0.451 371 T N 0.155 114.765 114.554 0.094 0.000 2.857 371 T HA -0.087 4.263 4.350 0.001 0.000 0.266 371 T C 1.370 176.167 174.700 0.162 0.000 1.048 371 T CA 1.387 63.591 62.100 0.172 0.000 1.139 371 T CB -0.356 68.636 68.868 0.206 0.000 0.874 371 T HN 0.473 nan 8.240 nan 0.000 0.455 372 D N 1.237 121.691 120.400 0.090 0.000 2.178 372 D HA -0.023 4.617 4.640 0.001 0.000 0.201 372 D C 1.991 178.315 176.300 0.040 0.000 0.980 372 D CA 0.305 54.331 54.000 0.045 0.000 0.842 372 D CB -0.370 40.409 40.800 -0.035 0.000 0.948 372 D HN 0.161 nan 8.370 nan 0.000 0.472 373 L N 0.652 121.876 121.223 0.002 0.000 2.093 373 L HA -0.043 4.297 4.340 0.001 0.000 0.208 373 L C 1.987 178.955 176.870 0.165 0.000 1.085 373 L CA 1.354 56.207 54.840 0.021 0.000 0.755 373 L CB -0.775 41.273 42.059 -0.018 0.000 0.904 373 L HN -0.048 nan 8.230 nan 0.000 0.435 374 A N -0.459 122.441 122.820 0.132 0.000 1.929 374 A HA -0.146 4.174 4.320 0.001 0.000 0.216 374 A C 2.269 179.965 177.584 0.187 0.000 1.176 374 A CA 0.980 53.081 52.037 0.106 0.000 0.628 374 A CB -0.545 18.459 19.000 0.006 0.000 0.816 374 A HN 0.441 nan 8.150 nan 0.000 0.444 375 L N -1.492 119.875 121.223 0.241 0.000 2.131 375 L HA -0.184 4.156 4.340 0.001 0.000 0.210 375 L C 2.515 179.462 176.870 0.128 0.000 1.092 375 L CA 1.869 56.827 54.840 0.196 0.000 0.759 375 L CB -0.460 41.674 42.059 0.125 0.000 0.903 375 L HN 0.666 nan 8.230 nan 0.000 0.435 376 Y N 0.685 120.994 120.300 0.014 0.000 2.081 376 Y HA -0.317 4.233 4.550 0.001 0.000 0.280 376 Y C 2.310 178.184 175.900 -0.044 0.000 1.163 376 Y CA 1.886 59.979 58.100 -0.012 0.000 1.135 376 Y CB -0.386 38.083 38.460 0.014 0.000 0.970 376 Y HN 0.054 nan 8.280 nan 0.000 0.498 377 L N -1.097 120.229 121.223 0.172 0.000 2.093 377 L HA -0.197 4.143 4.340 0.001 0.000 0.208 377 L C 2.398 179.217 176.870 -0.086 0.000 1.085 377 L CA 0.939 55.751 54.840 -0.046 0.000 0.755 377 L CB -0.672 41.318 42.059 -0.114 0.000 0.904 377 L HN 0.162 nan 8.230 nan 0.000 0.435 378 V N -0.218 119.693 119.914 -0.005 0.000 2.343 378 V HA -0.246 3.875 4.120 0.001 0.000 0.247 378 V C 2.664 178.731 176.094 -0.045 0.000 1.051 378 V CA 1.532 63.844 62.300 0.020 0.000 1.036 378 V CB -0.599 31.305 31.823 0.136 0.000 0.654 378 V HN 0.435 nan 8.190 nan 0.000 0.451 379 R N 0.446 120.890 120.500 -0.095 0.000 2.152 379 R HA -0.082 4.259 4.340 0.001 0.000 0.232 379 R C 1.912 178.110 176.300 -0.170 0.000 1.117 379 R CA 0.903 56.922 56.100 -0.135 0.000 0.981 379 R CB -0.435 29.755 30.300 -0.183 0.000 0.870 379 R HN 0.492 nan 8.270 nan 0.000 0.451 380 K N -0.338 119.928 120.400 -0.223 0.000 2.458 380 K HA 0.081 4.401 4.320 0.001 0.000 0.194 380 K C 0.749 177.275 176.600 -0.125 0.000 1.024 380 K CA 0.591 56.757 56.287 -0.203 0.000 1.108 380 K CB 0.608 32.947 32.500 -0.268 0.000 0.846 380 K HN 0.403 nan 8.250 nan 0.000 0.518 381 G N 1.355 110.098 108.800 -0.095 0.000 2.253 381 G HA2 -0.244 3.716 3.960 0.001 0.000 0.209 381 G HA3 -0.244 3.716 3.960 0.001 0.000 0.209 381 G C 0.094 174.966 174.900 -0.047 0.000 0.997 381 G CA -0.276 44.786 45.100 -0.062 0.000 0.640 381 G HN 0.269 nan 8.290 nan 0.000 0.496 382 M N 3.597 123.163 119.600 -0.057 0.000 2.228 382 M HA 0.404 4.884 4.480 0.001 0.000 0.351 382 M C -1.846 174.450 176.300 -0.006 0.000 1.233 382 M CA -1.591 53.682 55.300 -0.044 0.000 1.129 382 M CB 0.816 33.370 32.600 -0.076 0.000 1.604 382 M HN 0.065 nan 8.290 nan 0.000 0.457 383 P HA -0.042 nan 4.420 nan 0.000 0.271 383 P C 0.113 177.452 177.300 0.066 0.000 1.216 383 P CA 0.030 63.158 63.100 0.047 0.000 0.771 383 P CB 0.357 32.075 31.700 0.031 0.000 0.864 384 F N 3.887 123.843 119.950 0.009 0.000 2.085 384 F HA -0.288 4.239 4.527 0.000 0.000 0.299 384 F C 2.432 178.266 175.800 0.056 0.000 1.096 384 F CA 1.992 60.013 58.000 0.034 0.000 1.227 384 F CB -0.437 38.581 39.000 0.030 0.000 0.983 384 F HN 0.229 nan 8.300 nan 0.000 0.482 385 R N 0.494 120.990 120.500 -0.006 0.000 2.103 385 R HA -0.205 4.135 4.340 0.001 0.000 0.242 385 R C 2.094 178.327 176.300 -0.112 0.000 1.142 385 R CA 2.023 58.077 56.100 -0.076 0.000 0.960 385 R CB -0.846 29.455 30.300 0.001 0.000 0.858 385 R HN 0.353 nan 8.270 nan 0.000 0.439 386 Q N -0.828 118.923 119.800 -0.083 0.000 2.083 386 Q HA 0.157 4.497 4.340 0.001 0.000 0.198 386 Q C 2.021 177.958 176.000 -0.104 0.000 0.969 386 Q CA 1.792 57.554 55.803 -0.067 0.000 0.838 386 Q CB -0.372 28.338 28.738 -0.045 0.000 0.900 386 Q HN 0.421 nan 8.270 nan 0.000 0.436 387 A N 0.467 123.187 122.820 -0.167 0.000 1.940 387 A HA -0.267 4.053 4.320 0.001 0.000 0.219 387 A C 2.029 179.473 177.584 -0.235 0.000 1.176 387 A CA 1.834 53.758 52.037 -0.188 0.000 0.631 387 A CB -0.831 18.058 19.000 -0.185 0.000 0.814 387 A HN 0.527 nan 8.150 nan 0.000 0.446 388 H N 0.674 119.428 119.070 -0.527 0.000 2.357 388 H HA -0.125 4.431 4.556 0.000 0.000 0.301 388 H C 2.279 177.500 175.328 -0.178 0.000 1.082 388 H CA 2.439 58.223 56.048 -0.440 0.000 1.342 388 H CB -0.309 29.118 29.762 -0.558 0.000 1.389 388 H HN 0.569 nan 8.280 nan 0.000 0.511 389 T N -1.531 113.042 114.554 0.031 0.000 2.867 389 T HA 0.068 4.418 4.350 0.001 0.000 0.268 389 T C 2.253 176.946 174.700 -0.012 0.000 1.057 389 T CA 1.103 63.223 62.100 0.034 0.000 1.136 389 T CB -0.545 68.349 68.868 0.043 0.000 0.874 389 T HN 0.365 nan 8.240 nan 0.000 0.466 390 A N 1.524 124.337 122.820 -0.012 0.000 1.873 390 A HA 0.026 4.347 4.320 0.001 0.000 0.215 390 A C 2.722 180.354 177.584 0.079 0.000 1.186 390 A CA 1.974 54.040 52.037 0.048 0.000 0.616 390 A CB -1.341 17.685 19.000 0.044 0.000 0.823 390 A HN 0.542 nan 8.150 nan 0.000 0.442 391 S N -0.496 115.221 115.700 0.029 0.000 2.382 391 S HA -0.044 4.426 4.470 0.001 0.000 0.228 391 S C 2.033 176.610 174.600 -0.039 0.000 1.027 391 S CA 1.747 59.960 58.200 0.023 0.000 0.991 391 S CB -0.721 62.456 63.200 -0.039 0.000 0.823 391 S HN 0.702 nan 8.310 nan 0.000 0.469 392 G N 1.172 109.904 108.800 -0.113 0.000 2.440 392 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 392 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 392 G C 1.535 176.437 174.900 0.004 0.000 1.154 392 G CA 0.878 45.924 45.100 -0.090 0.000 0.767 392 G HN 0.564 nan 8.290 nan 0.000 0.552 393 K N 0.582 120.998 120.400 0.025 0.000 2.063 393 K HA 0.012 4.333 4.320 0.001 0.000 0.208 393 K C 2.945 179.586 176.600 0.069 0.000 1.048 393 K CA 1.036 57.363 56.287 0.067 0.000 0.928 393 K CB -0.246 32.292 32.500 0.064 0.000 0.713 393 K HN 0.274 nan 8.250 nan 0.000 0.442 394 A N 1.029 123.872 122.820 0.038 0.000 1.933 394 A HA -0.127 4.193 4.320 0.001 0.000 0.218 394 A C 2.373 179.955 177.584 -0.003 0.000 1.175 394 A CA 1.410 53.444 52.037 -0.006 0.000 0.628 394 A CB -0.638 18.336 19.000 -0.044 0.000 0.814 394 A HN 0.076 nan 8.150 nan 0.000 0.444 395 V N -0.478 119.449 119.914 0.020 0.000 2.295 395 V HA -0.277 3.843 4.120 0.001 0.000 0.246 395 V C 2.502 178.623 176.094 0.047 0.000 1.049 395 V CA 2.186 64.501 62.300 0.025 0.000 1.024 395 V CB -0.938 30.902 31.823 0.028 0.000 0.648 395 V HN 0.793 nan 8.190 nan 0.000 0.447 396 H N -0.767 118.291 119.070 -0.021 0.000 2.395 396 H HA -0.109 4.447 4.556 0.000 0.000 0.299 396 H C 2.255 177.571 175.328 -0.020 0.000 1.070 396 H CA 1.713 57.751 56.048 -0.016 0.000 1.356 396 H CB 0.241 29.997 29.762 -0.010 0.000 1.401 396 H HN 0.325 nan 8.280 nan 0.000 0.524 397 L N 1.379 122.574 121.223 -0.047 0.000 1.989 397 L HA -0.121 4.219 4.340 0.001 0.000 0.211 397 L C 2.718 179.505 176.870 -0.138 0.000 1.071 397 L CA 2.085 56.863 54.840 -0.103 0.000 0.749 397 L CB -1.202 40.831 42.059 -0.043 0.000 0.890 397 L HN 0.286 nan 8.230 nan 0.000 0.431 398 A N -0.900 121.857 122.820 -0.105 0.000 1.940 398 A HA -0.237 4.083 4.320 0.001 0.000 0.219 398 A C 2.112 179.628 177.584 -0.113 0.000 1.176 398 A CA 1.893 53.869 52.037 -0.103 0.000 0.631 398 A CB -0.614 18.335 19.000 -0.086 0.000 0.814 398 A HN 0.653 nan 8.150 nan 0.000 0.446 399 E N -0.601 119.519 120.200 -0.133 0.000 2.017 399 E HA -0.175 4.175 4.350 0.001 0.000 0.193 399 E C 2.306 178.802 176.600 -0.173 0.000 0.997 399 E CA 1.813 58.133 56.400 -0.133 0.000 0.804 399 E CB -0.621 29.006 29.700 -0.121 0.000 0.757 399 E HN 0.827 nan 8.360 nan 0.000 0.448 400 T N 0.059 114.436 114.554 -0.294 0.000 2.778 400 T HA -0.178 4.172 4.350 0.001 0.000 0.269 400 T C 1.692 176.309 174.700 -0.138 0.000 1.050 400 T CA 1.313 63.270 62.100 -0.239 0.000 1.137 400 T CB -0.173 68.515 68.868 -0.301 0.000 0.860 400 T HN 0.007 nan 8.240 nan 0.000 0.468 401 K N 0.570 120.894 120.400 -0.127 0.000 2.426 401 K HA 0.300 4.620 4.320 0.001 0.000 0.193 401 K C 1.505 178.059 176.600 -0.077 0.000 1.028 401 K CA 0.356 56.588 56.287 -0.091 0.000 1.047 401 K CB -0.088 32.360 32.500 -0.088 0.000 0.821 401 K HN 0.563 nan 8.250 nan 0.000 0.513 402 G N 2.493 111.245 108.800 -0.080 0.000 2.160 402 G HA2 -0.250 3.710 3.960 0.001 0.000 0.251 402 G HA3 -0.250 3.710 3.960 0.001 0.000 0.251 402 G C 0.124 174.988 174.900 -0.061 0.000 1.008 402 G CA 0.735 45.797 45.100 -0.063 0.000 0.724 402 G HN 0.441 nan 8.290 nan 0.000 0.514 403 I N -3.607 116.921 120.570 -0.071 0.000 3.239 403 I HA 0.939 5.109 4.170 0.001 0.000 0.314 403 I C 0.313 176.385 176.117 -0.076 0.000 1.126 403 I CA -1.278 59.978 61.300 -0.073 0.000 0.973 403 I CB 1.794 39.743 38.000 -0.086 0.000 1.252 403 I HN 0.421 nan 8.210 nan 0.000 0.463 404 A N 1.500 124.270 122.820 -0.083 0.000 2.286 404 A HA 0.524 4.844 4.320 0.001 0.000 0.286 404 A C 1.071 178.579 177.584 -0.127 0.000 1.097 404 A CA -0.639 51.350 52.037 -0.080 0.000 0.821 404 A CB 0.431 19.392 19.000 -0.066 0.000 1.076 404 A HN 0.894 nan 8.150 nan 0.000 0.490 405 I N -0.405 120.098 120.570 -0.113 0.000 2.335 405 I HA -0.220 3.950 4.170 0.001 0.000 0.251 405 I C 1.713 177.605 176.117 -0.376 0.000 1.129 405 I CA 2.007 63.215 61.300 -0.154 0.000 1.402 405 I CB -0.696 37.286 38.000 -0.031 0.000 1.069 405 I HN 0.751 nan 8.210 nan 0.000 0.424 406 N N 1.857 120.212 118.700 -0.575 0.000 2.573 406 N HA -0.202 4.539 4.740 0.001 0.000 0.187 406 N C 0.790 175.935 175.510 -0.609 0.000 1.107 406 N CA 1.256 53.641 53.050 -1.109 0.000 0.918 406 N CB -1.043 36.853 38.487 -0.985 0.000 0.966 406 N HN 0.633 nan 8.380 nan 0.000 0.448 407 N N -0.381 118.102 118.700 -0.361 0.000 2.280 407 N HA 0.220 4.961 4.740 0.001 0.000 0.192 407 N C -0.128 175.263 175.510 -0.199 0.000 1.109 407 N CA -0.318 52.590 53.050 -0.237 0.000 0.855 407 N CB 0.521 38.909 38.487 -0.165 0.000 0.974 407 N HN 0.108 nan 8.380 nan 0.000 0.482 408 L N 0.908 121.998 121.223 -0.223 0.000 2.464 408 L HA 0.140 4.481 4.340 0.001 0.000 0.264 408 L C 1.208 177.980 176.870 -0.164 0.000 1.199 408 L CA -0.290 54.447 54.840 -0.172 0.000 0.818 408 L CB 0.449 42.402 42.059 -0.177 0.000 1.102 408 L HN 0.167 nan 8.230 nan 0.000 0.473 409 T N -1.293 113.188 114.554 -0.122 0.000 2.847 409 T HA 0.183 4.533 4.350 0.001 0.000 0.279 409 T C 0.801 175.442 174.700 -0.099 0.000 0.984 409 T CA -0.766 61.274 62.100 -0.099 0.000 0.988 409 T CB 1.123 69.951 68.868 -0.068 0.000 1.040 409 T HN 0.457 nan 8.240 nan 0.000 0.528 410 L N 0.940 122.121 121.223 -0.071 0.000 2.083 410 L HA 0.008 4.349 4.340 0.001 0.000 0.209 410 L C 2.617 179.470 176.870 -0.028 0.000 1.083 410 L CA 2.326 57.135 54.840 -0.052 0.000 0.752 410 L CB -1.198 40.853 42.059 -0.013 0.000 0.899 410 L HN 0.981 nan 8.230 nan 0.000 0.433 411 E N -1.817 118.370 120.200 -0.021 0.000 2.268 411 E HA -0.215 4.135 4.350 0.001 0.000 0.195 411 E C 1.411 178.005 176.600 -0.010 0.000 0.995 411 E CA 1.202 57.601 56.400 -0.003 0.000 0.836 411 E CB -0.334 29.364 29.700 -0.004 0.000 0.763 411 E HN 0.457 nan 8.360 nan 0.000 0.491 412 D N 1.179 121.554 120.400 -0.041 0.000 2.097 412 D HA -0.090 4.550 4.640 0.001 0.000 0.197 412 D C 2.120 178.388 176.300 -0.053 0.000 0.984 412 D CA 0.976 54.946 54.000 -0.050 0.000 0.826 412 D CB -0.130 40.621 40.800 -0.081 0.000 0.973 412 D HN 0.264 nan 8.370 nan 0.000 0.460 413 L N 0.660 121.812 121.223 -0.117 0.000 2.131 413 L HA -0.126 4.215 4.340 0.001 0.000 0.210 413 L C 2.311 179.272 176.870 0.153 0.000 1.092 413 L CA 0.877 55.600 54.840 -0.195 0.000 0.759 413 L CB -0.257 41.442 42.059 -0.601 0.000 0.903 413 L HN -0.047 nan 8.230 nan 0.000 0.435 414 K N 0.129 120.603 120.400 0.124 0.000 2.148 414 K HA -0.100 4.220 4.320 0.001 0.000 0.204 414 K C 2.314 178.986 176.600 0.120 0.000 1.050 414 K CA 1.580 57.962 56.287 0.160 0.000 0.942 414 K CB -0.331 32.228 32.500 0.097 0.000 0.724 414 K HN 0.404 nan 8.250 nan 0.000 0.446 415 S N 0.691 116.438 115.700 0.077 0.000 2.442 415 S HA -0.064 4.406 4.470 0.001 0.000 0.236 415 S C 2.013 176.659 174.600 0.078 0.000 1.007 415 S CA 0.711 58.947 58.200 0.059 0.000 0.965 415 S CB -0.326 62.894 63.200 0.032 0.000 0.773 415 S HN 0.203 nan 8.310 nan 0.000 0.504 416 I N 0.289 120.933 120.570 0.123 0.000 2.556 416 I HA 0.160 4.330 4.170 0.001 0.000 0.251 416 I C 0.976 177.187 176.117 0.155 0.000 1.105 416 I CA 0.600 61.989 61.300 0.148 0.000 1.436 416 I CB 0.292 38.414 38.000 0.203 0.000 1.139 416 I HN 0.368 nan 8.210 nan 0.000 0.438 417 S N 0.367 116.200 115.700 0.222 0.000 2.626 417 S HA 0.291 4.761 4.470 0.001 0.000 0.275 417 S C -2.259 172.410 174.600 0.116 0.000 1.175 417 S CA -1.083 57.169 58.200 0.087 0.000 0.982 417 S CB 1.547 64.689 63.200 -0.097 0.000 1.093 417 S HN -0.119 nan 8.310 nan 0.000 0.472 418 P HA -0.035 nan 4.420 nan 0.000 0.228 418 P C 1.386 178.721 177.300 0.058 0.000 1.151 418 P CA 0.310 63.454 63.100 0.073 0.000 0.770 418 P CB 0.134 31.858 31.700 0.040 0.000 0.786 419 L N -1.099 120.109 121.223 -0.024 0.000 2.275 419 L HA 0.073 4.413 4.340 0.001 0.000 0.215 419 L C 1.079 177.970 176.870 0.036 0.000 1.119 419 L CA 0.717 55.519 54.840 -0.064 0.000 0.790 419 L CB -1.084 40.865 42.059 -0.184 0.000 0.919 419 L HN -0.201 nan 8.230 nan 0.000 0.443 420 F N -0.582 119.459 119.950 0.151 0.000 2.504 420 F HA 0.150 4.677 4.527 0.000 0.000 0.369 420 F C 1.095 176.974 175.800 0.131 0.000 1.082 420 F CA 0.031 58.127 58.000 0.159 0.000 1.216 420 F CB 0.450 39.462 39.000 0.019 0.000 1.108 420 F HN -0.174 nan 8.300 nan 0.000 0.554 421 S N 0.532 116.474 115.700 0.404 0.000 2.648 421 S HA 0.143 4.613 4.470 0.001 0.000 0.305 421 S C 0.856 175.570 174.600 0.191 0.000 1.094 421 S CA -0.391 57.956 58.200 0.246 0.000 0.983 421 S CB 1.764 65.091 63.200 0.212 0.000 1.101 421 S HN 0.733 nan 8.310 nan 0.000 0.514 422 S N 1.210 116.983 115.700 0.121 0.000 2.444 422 S HA -0.227 4.243 4.470 0.001 0.000 0.244 422 S C 1.078 175.735 174.600 0.095 0.000 1.025 422 S CA 2.004 60.254 58.200 0.084 0.000 0.995 422 S CB -0.768 62.468 63.200 0.061 0.000 0.781 422 S HN 0.834 nan 8.310 nan 0.000 0.496 423 D N 1.806 122.292 120.400 0.143 0.000 2.352 423 D HA -0.012 4.629 4.640 0.001 0.000 0.232 423 D C 1.572 177.974 176.300 0.170 0.000 1.055 423 D CA 0.653 54.746 54.000 0.155 0.000 0.891 423 D CB -0.762 40.138 40.800 0.167 0.000 0.897 423 D HN 0.523 nan 8.370 nan 0.000 0.529 424 V N -0.405 119.546 119.914 0.061 0.000 2.913 424 V HA -0.208 3.913 4.120 0.001 0.000 0.260 424 V C 2.516 178.557 176.094 -0.089 0.000 1.098 424 V CA 1.216 63.382 62.300 -0.223 0.000 1.121 424 V CB -1.351 30.244 31.823 -0.381 0.000 0.714 424 V HN 0.329 nan 8.190 nan 0.000 0.487 425 S N 0.813 116.559 115.700 0.077 0.000 2.419 425 S HA -0.318 4.152 4.470 0.001 0.000 0.235 425 S C 1.868 176.521 174.600 0.089 0.000 1.019 425 S CA 1.768 60.071 58.200 0.172 0.000 0.982 425 S CB -0.623 62.639 63.200 0.103 0.000 0.789 425 S HN 0.730 nan 8.310 nan 0.000 0.490 426 Q N 0.289 120.098 119.800 0.015 0.000 2.378 426 Q HA 0.098 4.439 4.340 0.001 0.000 0.205 426 Q C 2.108 178.042 176.000 -0.111 0.000 0.954 426 Q CA 0.931 56.726 55.803 -0.013 0.000 0.901 426 Q CB -0.247 28.506 28.738 0.024 0.000 0.981 426 Q HN 0.521 nan 8.270 nan 0.000 0.483 427 V N 0.124 119.871 119.914 -0.277 0.000 2.427 427 V HA -0.169 3.951 4.120 0.001 0.000 0.248 427 V C 0.840 176.574 176.094 -0.599 0.000 1.051 427 V CA 1.287 63.293 62.300 -0.490 0.000 1.048 427 V CB -0.287 31.042 31.823 -0.824 0.000 0.666 427 V HN 0.266 nan 8.190 nan 0.000 0.456 428 F N 1.885 121.733 119.950 -0.170 0.000 2.659 428 F HA 0.344 4.872 4.527 0.000 0.000 0.360 428 F C 0.644 176.287 175.800 -0.263 0.000 1.218 428 F CA 0.074 57.921 58.000 -0.255 0.000 1.317 428 F CB -0.353 38.533 39.000 -0.190 0.000 1.697 428 F HN 0.106 nan 8.300 nan 0.000 0.637 429 N N 1.060 119.625 118.700 -0.224 0.000 2.572 429 N HA 0.101 4.841 4.740 0.001 0.000 0.287 429 N C 0.160 175.563 175.510 -0.177 0.000 1.136 429 N CA -0.390 52.581 53.050 -0.131 0.000 0.900 429 N CB 0.548 39.017 38.487 -0.031 0.000 1.484 429 N HN 0.137 nan 8.380 nan 0.000 0.526 430 F N 1.561 121.539 119.950 0.047 0.000 2.171 430 F HA -0.098 4.429 4.527 0.001 0.000 0.300 430 F C 2.307 178.131 175.800 0.040 0.000 1.090 430 F CA 0.809 58.833 58.000 0.039 0.000 1.293 430 F CB 0.055 39.069 39.000 0.023 0.000 1.013 430 F HN 0.326 nan 8.300 nan 0.000 0.486 431 V N 0.128 120.157 119.914 0.191 0.000 2.490 431 V HA -0.267 3.854 4.120 0.001 0.000 0.250 431 V C 2.044 178.191 176.094 0.089 0.000 1.061 431 V CA 1.737 64.112 62.300 0.125 0.000 1.064 431 V CB -0.614 31.265 31.823 0.093 0.000 0.670 431 V HN 0.338 nan 8.190 nan 0.000 0.461 432 N N -0.354 118.379 118.700 0.054 0.000 2.270 432 N HA -0.104 4.636 4.740 0.001 0.000 0.181 432 N C 2.127 177.652 175.510 0.026 0.000 1.016 432 N CA 1.519 54.581 53.050 0.020 0.000 0.870 432 N CB -0.301 38.176 38.487 -0.017 0.000 0.979 432 N HN 0.418 nan 8.380 nan 0.000 0.431 433 S N 0.506 116.231 115.700 0.042 0.000 2.349 433 S HA -0.116 4.354 4.470 0.001 0.000 0.216 433 S C 2.187 176.914 174.600 0.211 0.000 1.033 433 S CA 1.980 60.236 58.200 0.094 0.000 1.021 433 S CB -0.602 62.657 63.200 0.098 0.000 0.968 433 S HN 0.188 nan 8.310 nan 0.000 0.426 434 V N 0.688 120.737 119.914 0.225 0.000 2.380 434 V HA -0.086 4.034 4.120 0.001 0.000 0.251 434 V C 1.991 178.243 176.094 0.263 0.000 1.063 434 V CA 2.106 64.567 62.300 0.268 0.000 1.055 434 V CB -1.096 30.825 31.823 0.164 0.000 0.657 434 V HN 0.371 nan 8.190 nan 0.000 0.455 435 E N 0.303 120.590 120.200 0.145 0.000 2.515 435 E HA -0.126 4.225 4.350 0.001 0.000 0.201 435 E C 2.184 178.799 176.600 0.024 0.000 1.071 435 E CA 0.834 57.285 56.400 0.085 0.000 0.880 435 E CB -0.165 29.566 29.700 0.052 0.000 0.828 435 E HN 0.803 nan 8.360 nan 0.000 0.540 436 Q N -0.696 119.083 119.800 -0.036 0.000 2.230 436 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 436 Q C 0.136 175.917 176.000 -0.366 0.000 0.963 436 Q CA 0.634 56.273 55.803 -0.274 0.000 0.866 436 Q CB 0.063 28.481 28.738 -0.533 0.000 0.931 436 Q HN 0.354 nan 8.270 nan 0.000 0.452 437 Y N 0.730 121.037 120.300 0.011 0.000 2.735 437 Y HA 0.040 4.590 4.550 0.001 0.000 0.354 437 Y C 1.456 177.360 175.900 0.007 0.000 1.288 437 Y CA 0.136 58.242 58.100 0.009 0.000 1.836 437 Y CB -0.388 38.081 38.460 0.014 0.000 1.920 437 Y HN 0.102 nan 8.280 nan 0.000 0.438 438 T N -2.555 112.036 114.554 0.061 0.000 3.035 438 T HA 0.205 4.555 4.350 0.001 0.000 0.259 438 T C 1.211 175.935 174.700 0.040 0.000 1.078 438 T CA 0.193 62.320 62.100 0.045 0.000 1.132 438 T CB -0.089 68.786 68.868 0.011 0.000 0.900 438 T HN 0.429 nan 8.240 nan 0.000 0.480 439 A N 3.373 126.215 122.820 0.037 0.000 2.565 439 A HA 0.399 4.719 4.320 0.001 0.000 0.237 439 A C 0.667 178.276 177.584 0.042 0.000 1.053 439 A CA -0.508 51.547 52.037 0.031 0.000 0.755 439 A CB -0.357 18.660 19.000 0.028 0.000 0.980 439 A HN 0.464 nan 8.150 nan 0.000 0.506 440 L N 1.976 123.214 121.223 0.025 0.000 2.720 440 L HA 0.002 4.343 4.340 0.001 0.000 0.289 440 L C 1.663 178.546 176.870 0.021 0.000 1.232 440 L CA 2.445 57.297 54.840 0.019 0.000 0.915 440 L CB -1.324 40.740 42.059 0.009 0.000 1.184 440 L HN 1.467 nan 8.230 nan 0.000 0.491 441 G N 2.305 111.114 108.800 0.016 0.000 2.258 441 G HA2 -0.197 3.763 3.960 0.001 0.000 0.233 441 G HA3 -0.197 3.763 3.960 0.001 0.000 0.233 441 G C 0.641 175.549 174.900 0.013 0.000 1.006 441 G CA 0.119 45.222 45.100 0.006 0.000 0.620 441 G HN 1.053 nan 8.290 nan 0.000 0.511 442 G N -0.860 107.970 108.800 0.050 0.000 2.653 442 G HA2 0.428 4.388 3.960 0.001 0.000 0.265 442 G HA3 0.428 4.388 3.960 0.001 0.000 0.265 442 G C 0.990 175.921 174.900 0.052 0.000 1.237 442 G CA 1.100 46.245 45.100 0.075 0.000 0.946 442 G HN 0.769 nan 8.290 nan 0.000 0.522 443 T N -0.577 114.001 114.554 0.039 0.000 3.129 443 T HA 0.404 4.754 4.350 0.001 0.000 0.251 443 T C 1.289 176.048 174.700 0.098 0.000 1.117 443 T CA 0.629 62.751 62.100 0.036 0.000 1.034 443 T CB -0.824 68.025 68.868 -0.032 0.000 0.968 443 T HN 0.817 nan 8.240 nan 0.000 0.526 444 A N 1.067 123.975 122.820 0.146 0.000 2.466 444 A HA 0.292 4.613 4.320 0.001 0.000 0.238 444 A C 1.557 179.187 177.584 0.078 0.000 1.074 444 A CA -0.086 52.024 52.037 0.122 0.000 0.774 444 A CB 0.136 19.201 19.000 0.108 0.000 1.015 444 A HN 0.525 nan 8.150 nan 0.000 0.498 445 K N 0.831 121.272 120.400 0.067 0.000 2.103 445 K HA -0.176 4.145 4.320 0.001 0.000 0.207 445 K C 2.069 178.693 176.600 0.041 0.000 1.048 445 K CA 2.032 58.351 56.287 0.052 0.000 0.930 445 K CB -0.172 32.358 32.500 0.049 0.000 0.716 445 K HN 0.876 nan 8.250 nan 0.000 0.444 446 S N -0.520 115.203 115.700 0.038 0.000 2.423 446 S HA -0.110 4.360 4.470 0.001 0.000 0.231 446 S C 2.036 176.652 174.600 0.026 0.000 1.014 446 S CA 1.414 59.630 58.200 0.028 0.000 0.965 446 S CB -0.096 63.118 63.200 0.024 0.000 0.785 446 S HN 0.323 nan 8.310 nan 0.000 0.495 447 S N 0.687 116.408 115.700 0.034 0.000 2.395 447 S HA 0.030 4.501 4.470 0.001 0.000 0.225 447 S C 1.799 176.411 174.600 0.020 0.000 1.027 447 S CA 0.928 59.145 58.200 0.029 0.000 0.965 447 S CB -0.550 62.676 63.200 0.044 0.000 0.812 447 S HN 0.401 nan 8.310 nan 0.000 0.482 448 V N 2.349 122.278 119.914 0.024 0.000 2.358 448 V HA -0.132 3.989 4.120 0.001 0.000 0.246 448 V C 3.007 179.106 176.094 0.010 0.000 1.047 448 V CA 2.160 64.468 62.300 0.014 0.000 1.035 448 V CB -1.460 30.377 31.823 0.023 0.000 0.658 448 V HN 0.862 nan 8.190 nan 0.000 0.452 449 T N -3.029 111.535 114.554 0.016 0.000 2.788 449 T HA -0.220 4.131 4.350 0.001 0.000 0.268 449 T C 1.804 176.508 174.700 0.007 0.000 1.044 449 T CA 2.081 64.189 62.100 0.012 0.000 1.139 449 T CB -0.666 68.212 68.868 0.016 0.000 0.867 449 T HN 0.422 nan 8.240 nan 0.000 0.454 450 T N 2.049 116.607 114.554 0.007 0.000 2.708 450 T HA -0.096 4.254 4.350 0.001 0.000 0.266 450 T C 2.183 176.881 174.700 -0.004 0.000 1.037 450 T CA 1.592 63.694 62.100 0.003 0.000 1.146 450 T CB -0.375 68.496 68.868 0.005 0.000 0.865 450 T HN 0.558 nan 8.240 nan 0.000 0.435 451 Q N 0.246 120.042 119.800 -0.007 0.000 2.061 451 Q HA -0.052 4.288 4.340 0.001 0.000 0.204 451 Q C 2.384 178.373 176.000 -0.019 0.000 0.984 451 Q CA 1.364 57.157 55.803 -0.017 0.000 0.846 451 Q CB -0.419 28.304 28.738 -0.025 0.000 0.902 451 Q HN 0.501 nan 8.270 nan 0.000 0.421 452 I N 0.953 121.514 120.570 -0.014 0.000 2.194 452 I HA -0.319 3.851 4.170 0.001 0.000 0.246 452 I C 2.087 178.198 176.117 -0.010 0.000 1.093 452 I CA 1.445 62.737 61.300 -0.013 0.000 1.355 452 I CB -0.238 37.759 38.000 -0.006 0.000 1.046 452 I HN 0.265 nan 8.210 nan 0.000 0.413 453 E N 0.190 120.386 120.200 -0.006 0.000 2.072 453 E HA -0.252 4.098 4.350 0.001 0.000 0.191 453 E C 2.232 178.827 176.600 -0.008 0.000 0.985 453 E CA 1.020 57.417 56.400 -0.005 0.000 0.801 453 E CB -0.101 29.598 29.700 -0.002 0.000 0.750 453 E HN 0.568 nan 8.360 nan 0.000 0.452 454 Q N 0.474 120.267 119.800 -0.010 0.000 2.084 454 Q HA -0.133 4.207 4.340 0.001 0.000 0.202 454 Q C 2.341 178.331 176.000 -0.016 0.000 0.978 454 Q CA 1.048 56.844 55.803 -0.013 0.000 0.844 454 Q CB -0.089 28.640 28.738 -0.015 0.000 0.898 454 Q HN 0.305 nan 8.270 nan 0.000 0.426 455 L N 0.075 121.286 121.223 -0.020 0.000 2.093 455 L HA -0.159 4.181 4.340 0.001 0.000 0.208 455 L C 2.461 179.321 176.870 -0.018 0.000 1.085 455 L CA 1.040 55.866 54.840 -0.023 0.000 0.755 455 L CB -0.301 41.739 42.059 -0.032 0.000 0.904 455 L HN 0.164 nan 8.230 nan 0.000 0.435 456 R N -0.357 120.135 120.500 -0.014 0.000 2.096 456 R HA -0.151 4.189 4.340 0.001 0.000 0.235 456 R C 2.275 178.570 176.300 -0.009 0.000 1.127 456 R CA 1.055 57.149 56.100 -0.010 0.000 0.968 456 R CB -0.113 30.183 30.300 -0.006 0.000 0.861 456 R HN 0.305 nan 8.270 nan 0.000 0.440 457 E N 0.767 120.961 120.200 -0.009 0.000 2.047 457 E HA -0.138 4.212 4.350 0.001 0.000 0.191 457 E C 2.133 178.727 176.600 -0.009 0.000 0.987 457 E CA 0.869 57.264 56.400 -0.008 0.000 0.799 457 E CB -0.182 29.513 29.700 -0.007 0.000 0.752 457 E HN 0.312 nan 8.360 nan 0.000 0.449 458 L N 0.309 121.525 121.223 -0.011 0.000 2.013 458 L HA -0.239 4.102 4.340 0.001 0.000 0.212 458 L C 2.696 179.560 176.870 -0.010 0.000 1.073 458 L CA 1.278 56.111 54.840 -0.011 0.000 0.753 458 L CB -0.342 41.708 42.059 -0.015 0.000 0.890 458 L HN 0.200 nan 8.230 nan 0.000 0.432 459 M N -0.874 118.719 119.600 -0.012 0.000 2.117 459 M HA -0.257 4.223 4.480 0.001 0.000 0.262 459 M C 2.353 178.647 176.300 -0.010 0.000 1.065 459 M CA 1.636 56.930 55.300 -0.011 0.000 1.114 459 M CB -0.365 32.229 32.600 -0.011 0.000 1.361 459 M HN 0.143 nan 8.290 nan 0.000 0.408 460 K N 1.234 121.628 120.400 -0.009 0.000 2.063 460 K HA -0.214 4.106 4.320 0.001 0.000 0.208 460 K C 2.272 178.867 176.600 -0.009 0.000 1.048 460 K CA 2.158 58.440 56.287 -0.009 0.000 0.928 460 K CB -0.068 32.428 32.500 -0.007 0.000 0.713 460 K HN 0.258 nan 8.250 nan 0.000 0.442 461 K N 0.855 121.250 120.400 -0.008 0.000 2.103 461 K HA -0.085 4.236 4.320 0.001 0.000 0.204 461 K C 1.992 178.588 176.600 -0.007 0.000 1.052 461 K CA 1.318 57.600 56.287 -0.007 0.000 0.945 461 K CB -0.538 31.959 32.500 -0.006 0.000 0.722 461 K HN 0.288 nan 8.250 nan 0.000 0.443 462 Q N -0.029 119.767 119.800 -0.007 0.000 2.084 462 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 462 Q C 2.253 178.247 176.000 -0.009 0.000 0.978 462 Q CA 1.756 57.555 55.803 -0.006 0.000 0.844 462 Q CB -0.178 28.557 28.738 -0.004 0.000 0.898 462 Q HN 0.686 nan 8.270 nan 0.000 0.426 463 K N 1.156 121.548 120.400 -0.012 0.000 2.063 463 K HA -0.149 4.171 4.320 0.001 0.000 0.208 463 K C 1.067 177.656 176.600 -0.019 0.000 1.048 463 K CA 1.066 57.343 56.287 -0.017 0.000 0.928 463 K CB 0.152 32.642 32.500 -0.017 0.000 0.713 463 K HN 0.349 nan 8.250 nan 0.000 0.442 464 E N 0.000 120.191 120.200 -0.015 0.000 2.725 464 E HA 0.000 4.350 4.350 0.001 0.000 0.291 464 E CA 0.000 56.391 56.400 -0.016 0.000 0.976 464 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 464 E HN 0.000 nan 8.360 nan 0.000 0.440