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 3mx5_1_B DATA FIRST_RESID 8 DATA SEQUENCE KSFLWTQSLR RELSGYCSNI KLQVVKDAQA LLHGLDFSEV SNVQRLMRKE DATA SEQUENCE RRDDNDLKRL RDLNQAVNNL VELKSTQQKS ILRVGTLTSD DLLILAADLE DATA SEQUENCE KLKSKVIRTE RPLSAGVYMG NLSSQQLDQR RALLNMIGMS XXXXXXXXXX DATA SEQUENCE DGVVRVWDVK NAELLNNQFG TMPSLTLACL TKQGQVDLND AVQALTDLGL DATA SEQUENCE IYTAKYPNTS DLDRLTQSHP ILNMIDTKKS SLNISGYNFS LGAAVKAGAC DATA SEQUENCE MLDGGNMLET IKVSPQTMDG ILKSILKVKK ALGMFISDTP GERNPYENIL DATA SEQUENCE YKICLSGDGW PYIASRTSIT GRAWENTVVD LXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXGLTY SQLMTLKDAM LQLDPNAKTW MDIEGRPEDP VEIALYQPSS DATA SEQUENCE GCYIHFFREP TDLKQFKQDA KYSHGIDVTD LFATQPGLTS AVIDALPRNM DATA SEQUENCE VITCQGSDDI RKLLESQGRK DIKLIDIALS KTDSRKYENA VWDQYKDLCH DATA SEQUENCE MHTGVVVEKK XXXXKEEITP HCALMDCIMF DAAVSGGLNT SVLRAVLPRD DATA SEQUENCE MVFR 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.449 176.600 -0.251 0.000 0.988 8 K CA 0.000 56.252 56.287 -0.059 0.000 0.838 8 K CB 0.000 32.465 32.500 -0.059 0.000 1.064 9 S N 0.563 116.080 115.700 -0.305 0.000 2.382 9 S HA -0.150 4.320 4.470 0.000 0.000 0.228 9 S C 1.891 176.484 174.600 -0.011 0.000 1.027 9 S CA 1.275 59.265 58.200 -0.350 0.000 0.991 9 S CB -0.643 62.394 63.200 -0.271 0.000 0.823 9 S HN 0.391 nan 8.310 nan 0.000 0.469 10 F N 2.444 122.371 119.950 -0.039 0.000 2.161 10 F HA 0.006 4.533 4.527 0.000 0.000 0.300 10 F C 1.961 177.812 175.800 0.085 0.000 1.089 10 F CA 1.024 59.063 58.000 0.065 0.000 1.282 10 F CB -0.703 38.355 39.000 0.096 0.000 1.010 10 F HN 0.297 nan 8.300 nan 0.000 0.485 11 L N -0.032 121.233 121.223 0.070 0.000 1.978 11 L HA -0.259 4.081 4.340 0.000 0.000 0.218 11 L C 2.030 178.989 176.870 0.148 0.000 1.075 11 L CA 2.214 57.098 54.840 0.074 0.000 0.767 11 L CB -1.520 40.641 42.059 0.169 0.000 0.890 11 L HN 0.221 nan 8.230 nan 0.000 0.434 12 W N 0.209 121.479 121.300 -0.050 0.000 2.338 12 W HA -0.129 4.531 4.660 0.000 0.000 0.304 12 W C 2.702 179.175 176.519 -0.076 0.000 1.212 12 W CA 1.797 59.115 57.345 -0.046 0.000 1.264 12 W CB -1.911 27.543 29.460 -0.010 0.000 1.142 12 W HN 0.178 nan 8.180 nan 0.000 0.512 13 T N 0.399 115.024 114.554 0.118 0.000 2.622 13 T HA -0.249 4.101 4.350 0.000 0.000 0.266 13 T C 1.783 176.371 174.700 -0.186 0.000 1.047 13 T CA 1.967 64.055 62.100 -0.021 0.000 1.159 13 T CB -0.534 68.325 68.868 -0.016 0.000 0.863 13 T HN 0.226 nan 8.240 nan 0.000 0.422 14 Q N 0.714 120.262 119.800 -0.420 0.000 2.152 14 Q HA -0.100 4.240 4.340 0.000 0.000 0.206 14 Q C 2.702 178.604 176.000 -0.163 0.000 0.985 14 Q CA 1.496 57.074 55.803 -0.374 0.000 0.863 14 Q CB -0.294 28.170 28.738 -0.457 0.000 0.904 14 Q HN 0.419 nan 8.270 nan 0.000 0.422 15 S N 0.863 116.505 115.700 -0.097 0.000 2.402 15 S HA -0.065 4.405 4.470 0.000 0.000 0.229 15 S C 1.955 176.536 174.600 -0.031 0.000 1.021 15 S CA 0.756 58.928 58.200 -0.048 0.000 0.974 15 S CB -0.085 63.099 63.200 -0.028 0.000 0.800 15 S HN 0.255 nan 8.310 nan 0.000 0.484 16 L N 0.837 122.052 121.223 -0.014 0.000 2.072 16 L HA -0.018 4.322 4.340 0.000 0.000 0.205 16 L C 2.697 179.573 176.870 0.010 0.000 1.079 16 L CA 1.015 55.865 54.840 0.017 0.000 0.752 16 L CB -0.372 41.724 42.059 0.063 0.000 0.906 16 L HN 0.182 nan 8.230 nan 0.000 0.436 17 R N -0.119 120.362 120.500 -0.032 0.000 2.080 17 R HA -0.232 4.108 4.340 0.000 0.000 0.236 17 R C 2.410 178.697 176.300 -0.020 0.000 1.137 17 R CA 1.894 57.970 56.100 -0.041 0.000 0.943 17 R CB -0.439 29.803 30.300 -0.098 0.000 0.846 17 R HN 0.286 nan 8.270 nan 0.000 0.431 18 R N 0.995 121.476 120.500 -0.032 0.000 2.080 18 R HA -0.222 4.118 4.340 0.000 0.000 0.236 18 R C 2.130 178.430 176.300 0.000 0.000 1.137 18 R CA 2.154 58.242 56.100 -0.020 0.000 0.943 18 R CB -0.212 30.072 30.300 -0.027 0.000 0.846 18 R HN 0.053 nan 8.270 nan 0.000 0.431 19 E N 0.375 120.582 120.200 0.011 0.000 2.152 19 E HA -0.083 4.267 4.350 0.000 0.000 0.192 19 E C 1.493 178.144 176.600 0.084 0.000 0.983 19 E CA 1.192 57.611 56.400 0.032 0.000 0.818 19 E CB 0.054 29.766 29.700 0.021 0.000 0.758 19 E HN 0.521 nan 8.360 nan 0.000 0.467 20 L N 0.397 121.685 121.223 0.108 0.000 2.667 20 L HA 0.181 4.521 4.340 0.000 0.000 0.232 20 L C 1.937 178.916 176.870 0.181 0.000 1.138 20 L CA 0.501 55.478 54.840 0.229 0.000 0.921 20 L CB -0.043 42.139 42.059 0.204 0.000 1.180 20 L HN 0.104 nan 8.230 nan 0.000 0.487 21 S N 0.327 116.067 115.700 0.066 0.000 2.402 21 S HA -0.191 4.279 4.470 0.000 0.000 0.233 21 S C 2.020 176.609 174.600 -0.017 0.000 1.030 21 S CA 1.469 59.683 58.200 0.023 0.000 1.003 21 S CB -0.709 62.489 63.200 -0.004 0.000 0.813 21 S HN 0.467 nan 8.310 nan 0.000 0.477 22 G N -0.665 108.071 108.800 -0.106 0.000 2.535 22 G HA2 -0.051 3.909 3.960 0.000 0.000 0.218 22 G HA3 -0.051 3.909 3.960 0.000 0.000 0.218 22 G C 0.752 175.443 174.900 -0.349 0.000 1.122 22 G CA 0.573 45.516 45.100 -0.261 0.000 0.769 22 G HN 0.699 nan 8.290 nan 0.000 0.549 23 Y N -0.424 119.883 120.300 0.011 0.000 2.485 23 Y HA 0.352 4.902 4.550 0.000 0.000 0.260 23 Y C 1.250 177.169 175.900 0.032 0.000 1.173 23 Y CA -1.461 56.648 58.100 0.015 0.000 1.252 23 Y CB -0.253 38.215 38.460 0.014 0.000 1.123 23 Y HN 0.012 nan 8.280 nan 0.000 0.524 24 C N -0.231 119.149 119.300 0.134 0.000 2.364 24 C HA 0.713 5.173 4.460 0.000 0.000 0.356 24 C C 0.737 175.783 174.990 0.094 0.000 1.201 24 C CA -0.495 58.591 59.018 0.113 0.000 2.227 24 C CB 1.127 28.911 27.740 0.074 0.000 2.387 24 C HN 0.343 nan 8.230 nan 0.000 0.546 25 S N 0.955 116.724 115.700 0.114 0.000 2.667 25 S HA 0.496 4.967 4.470 0.000 0.000 0.292 25 S C -1.172 173.480 174.600 0.088 0.000 1.126 25 S CA -0.528 57.738 58.200 0.110 0.000 0.881 25 S CB 0.907 64.210 63.200 0.170 0.000 1.132 25 S HN 0.789 nan 8.310 nan 0.000 0.492 26 N N 2.102 120.844 118.700 0.070 0.000 2.434 26 N HA 0.423 5.163 4.740 0.000 0.000 0.272 26 N C 0.323 175.866 175.510 0.056 0.000 1.040 26 N CA -0.180 52.902 53.050 0.052 0.000 0.956 26 N CB 0.730 39.239 38.487 0.036 0.000 1.108 26 N HN 0.663 nan 8.380 nan 0.000 0.481 27 I N -1.110 119.482 120.570 0.036 0.000 4.310 27 I HA 0.224 4.394 4.170 0.000 0.000 0.328 27 I C 1.575 177.673 176.117 -0.031 0.000 1.406 27 I CA -0.431 60.869 61.300 -0.001 0.000 1.174 27 I CB 0.399 38.382 38.000 -0.028 0.000 1.279 27 I HN 0.266 nan 8.210 nan 0.000 0.471 28 K N 2.339 122.733 120.400 -0.010 0.000 2.015 28 K HA -0.169 4.151 4.320 0.000 0.000 0.216 28 K C 1.943 178.528 176.600 -0.025 0.000 1.052 28 K CA 2.116 58.395 56.287 -0.014 0.000 0.937 28 K CB -0.163 32.335 32.500 -0.002 0.000 0.719 28 K HN 0.456 nan 8.250 nan 0.000 0.446 29 L N 0.616 121.827 121.223 -0.020 0.000 2.013 29 L HA -0.278 4.062 4.340 0.000 0.000 0.212 29 L C 2.828 179.674 176.870 -0.040 0.000 1.073 29 L CA 1.919 56.746 54.840 -0.022 0.000 0.753 29 L CB -0.585 41.466 42.059 -0.013 0.000 0.890 29 L HN 0.497 nan 8.230 nan 0.000 0.432 30 Q N -0.939 118.823 119.800 -0.064 0.000 2.079 30 Q HA -0.169 4.171 4.340 0.000 0.000 0.200 30 Q C 2.296 178.228 176.000 -0.115 0.000 0.974 30 Q CA 1.363 57.102 55.803 -0.106 0.000 0.840 30 Q CB 0.027 28.658 28.738 -0.179 0.000 0.898 30 Q HN 0.309 nan 8.270 nan 0.000 0.430 31 V N -0.155 119.694 119.914 -0.108 0.000 2.287 31 V HA -0.261 3.859 4.120 0.000 0.000 0.248 31 V C 2.158 178.224 176.094 -0.047 0.000 1.053 31 V CA 1.530 63.778 62.300 -0.086 0.000 1.027 31 V CB -0.415 31.368 31.823 -0.066 0.000 0.646 31 V HN 0.226 nan 8.190 nan 0.000 0.447 32 V N -0.112 119.782 119.914 -0.033 0.000 2.343 32 V HA -0.292 3.828 4.120 0.000 0.000 0.247 32 V C 2.460 178.547 176.094 -0.012 0.000 1.051 32 V CA 2.309 64.600 62.300 -0.015 0.000 1.036 32 V CB -0.708 31.108 31.823 -0.011 0.000 0.654 32 V HN 0.551 nan 8.190 nan 0.000 0.451 33 K N -0.022 120.363 120.400 -0.025 0.000 2.032 33 K HA -0.255 4.065 4.320 0.000 0.000 0.209 33 K C 1.899 178.491 176.600 -0.014 0.000 1.048 33 K CA 2.143 58.417 56.287 -0.022 0.000 0.927 33 K CB -0.362 32.118 32.500 -0.032 0.000 0.712 33 K HN 0.424 nan 8.250 nan 0.000 0.441 34 D N 0.429 120.810 120.400 -0.031 0.000 2.116 34 D HA -0.174 4.466 4.640 0.000 0.000 0.193 34 D C 1.781 178.089 176.300 0.014 0.000 0.998 34 D CA 1.601 55.587 54.000 -0.023 0.000 0.836 34 D CB -0.311 40.454 40.800 -0.059 0.000 0.951 34 D HN 0.374 nan 8.370 nan 0.000 0.449 35 A N 0.546 123.379 122.820 0.021 0.000 1.908 35 A HA -0.254 4.066 4.320 0.000 0.000 0.218 35 A C 2.139 179.775 177.584 0.087 0.000 1.181 35 A CA 1.702 53.776 52.037 0.062 0.000 0.627 35 A CB -0.692 18.339 19.000 0.052 0.000 0.818 35 A HN 0.244 nan 8.150 nan 0.000 0.445 36 Q N -0.821 119.014 119.800 0.057 0.000 2.096 36 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 36 Q C 2.382 178.440 176.000 0.097 0.000 0.982 36 Q CA 1.497 57.339 55.803 0.065 0.000 0.850 36 Q CB -0.371 28.383 28.738 0.026 0.000 0.901 36 Q HN 0.707 nan 8.270 nan 0.000 0.422 37 A N 0.402 123.266 122.820 0.074 0.000 1.969 37 A HA -0.124 4.196 4.320 0.000 0.000 0.218 37 A C 1.988 179.648 177.584 0.126 0.000 1.169 37 A CA 0.932 53.022 52.037 0.089 0.000 0.635 37 A CB -0.491 18.535 19.000 0.044 0.000 0.810 37 A HN 0.285 nan 8.150 nan 0.000 0.445 38 L N -0.862 120.436 121.223 0.125 0.000 2.056 38 L HA -0.136 4.204 4.340 0.000 0.000 0.207 38 L C 2.490 179.558 176.870 0.330 0.000 1.078 38 L CA 0.897 55.830 54.840 0.154 0.000 0.749 38 L CB -0.534 41.610 42.059 0.141 0.000 0.901 38 L HN 0.333 nan 8.230 nan 0.000 0.433 39 L N -0.985 120.447 121.223 0.349 0.000 2.056 39 L HA -0.237 4.103 4.340 0.000 0.000 0.207 39 L C 2.560 179.615 176.870 0.309 0.000 1.078 39 L CA 1.253 56.304 54.840 0.352 0.000 0.749 39 L CB -0.500 41.647 42.059 0.147 0.000 0.901 39 L HN 0.291 nan 8.230 nan 0.000 0.433 40 H N -1.056 118.103 119.070 0.148 0.000 2.535 40 H HA 0.012 4.568 4.556 0.000 0.000 0.273 40 H C 1.778 177.166 175.328 0.099 0.000 0.983 40 H CA 1.131 57.240 56.048 0.101 0.000 1.238 40 H CB 0.354 30.152 29.762 0.060 0.000 1.412 40 H HN 0.232 nan 8.280 nan 0.000 0.562 41 G N -0.690 108.196 108.800 0.143 0.000 2.692 41 G HA2 0.089 4.049 3.960 0.000 0.000 0.201 41 G HA3 0.089 4.049 3.960 0.000 0.000 0.201 41 G C -0.252 174.646 174.900 -0.005 0.000 1.063 41 G CA -0.252 44.883 45.100 0.057 0.000 0.790 41 G HN 0.172 nan 8.290 nan 0.000 0.599 42 L N 1.890 123.082 121.223 -0.051 0.000 2.371 42 L HA 0.424 4.764 4.340 0.000 0.000 0.272 42 L C -0.607 176.108 176.870 -0.258 0.000 1.124 42 L CA -0.893 53.781 54.840 -0.277 0.000 0.816 42 L CB 1.391 43.049 42.059 -0.668 0.000 1.129 42 L HN -0.054 nan 8.230 nan 0.000 0.448 43 D N 3.222 123.494 120.400 -0.213 0.000 2.359 43 D HA 0.005 4.645 4.640 0.000 0.000 0.250 43 D C 0.739 176.941 176.300 -0.163 0.000 1.264 43 D CA 0.241 54.181 54.000 -0.099 0.000 0.911 43 D CB 0.150 40.908 40.800 -0.070 0.000 1.056 43 D HN 0.410 nan 8.370 nan 0.000 0.499 44 F N 1.391 121.343 119.950 0.003 0.000 2.502 44 F HA -0.120 4.408 4.527 0.000 0.000 0.298 44 F C 2.678 178.482 175.800 0.006 0.000 1.111 44 F CA 0.604 58.614 58.000 0.017 0.000 1.445 44 F CB -0.086 38.938 39.000 0.040 0.000 1.081 44 F HN 0.383 nan 8.300 nan 0.000 0.558 45 S N -0.281 115.500 115.700 0.135 0.000 2.399 45 S HA -0.224 4.246 4.470 0.000 0.000 0.231 45 S C 1.943 176.546 174.600 0.007 0.000 1.022 45 S CA 1.382 59.621 58.200 0.066 0.000 0.983 45 S CB -0.343 62.883 63.200 0.045 0.000 0.803 45 S HN 0.326 nan 8.310 nan 0.000 0.480 46 E N 1.315 121.492 120.200 -0.040 0.000 2.106 46 E HA 0.002 4.352 4.350 0.000 0.000 0.192 46 E C 1.885 178.386 176.600 -0.164 0.000 0.984 46 E CA 0.970 57.309 56.400 -0.101 0.000 0.806 46 E CB -0.650 28.976 29.700 -0.123 0.000 0.750 46 E HN 0.383 nan 8.360 nan 0.000 0.458 47 V N 0.202 120.016 119.914 -0.166 0.000 2.343 47 V HA -0.256 3.864 4.120 0.000 0.000 0.247 47 V C 2.427 178.476 176.094 -0.075 0.000 1.051 47 V CA 1.958 64.141 62.300 -0.194 0.000 1.036 47 V CB -0.748 31.061 31.823 -0.024 0.000 0.654 47 V HN 0.362 nan 8.190 nan 0.000 0.451 48 S N 0.309 116.020 115.700 0.018 0.000 2.382 48 S HA -0.250 4.220 4.470 0.000 0.000 0.228 48 S C 1.927 176.529 174.600 0.004 0.000 1.027 48 S CA 2.039 60.266 58.200 0.046 0.000 0.991 48 S CB -0.539 62.703 63.200 0.071 0.000 0.823 48 S HN 0.652 nan 8.310 nan 0.000 0.469 49 N N 0.488 119.169 118.700 -0.031 0.000 2.244 49 N HA -0.010 4.730 4.740 0.000 0.000 0.183 49 N C 1.475 176.952 175.510 -0.054 0.000 1.016 49 N CA 1.356 54.384 53.050 -0.037 0.000 0.866 49 N CB -0.311 38.147 38.487 -0.048 0.000 0.980 49 N HN 0.303 nan 8.380 nan 0.000 0.430 50 V N 0.455 120.301 119.914 -0.115 0.000 2.488 50 V HA -0.108 4.012 4.120 0.000 0.000 0.246 50 V C 2.088 178.160 176.094 -0.038 0.000 1.046 50 V CA 1.213 63.432 62.300 -0.135 0.000 1.053 50 V CB -0.450 31.143 31.823 -0.383 0.000 0.679 50 V HN 0.337 nan 8.190 nan 0.000 0.458 51 Q N -0.131 119.660 119.800 -0.016 0.000 2.096 51 Q HA -0.263 4.077 4.340 0.000 0.000 0.204 51 Q C 2.413 178.440 176.000 0.045 0.000 0.982 51 Q CA 2.045 57.880 55.803 0.053 0.000 0.850 51 Q CB -0.327 28.463 28.738 0.088 0.000 0.901 51 Q HN 0.525 nan 8.270 nan 0.000 0.422 52 R N 0.771 121.285 120.500 0.025 0.000 2.080 52 R HA -0.179 4.161 4.340 0.000 0.000 0.236 52 R C 2.122 178.426 176.300 0.007 0.000 1.137 52 R CA 1.446 57.556 56.100 0.017 0.000 0.943 52 R CB -0.279 30.026 30.300 0.008 0.000 0.846 52 R HN 0.246 nan 8.270 nan 0.000 0.431 53 L N 0.091 121.317 121.223 0.005 0.000 2.083 53 L HA -0.167 4.173 4.340 0.000 0.000 0.209 53 L C 2.541 179.405 176.870 -0.011 0.000 1.083 53 L CA 0.830 55.667 54.840 -0.005 0.000 0.752 53 L CB -0.314 41.754 42.059 0.015 0.000 0.899 53 L HN 0.285 nan 8.230 nan 0.000 0.433 54 M N -0.604 119.021 119.600 0.042 0.000 2.374 54 M HA -0.112 4.368 4.480 0.000 0.000 0.264 54 M C 2.151 178.464 176.300 0.021 0.000 1.067 54 M CA 1.399 56.738 55.300 0.065 0.000 1.103 54 M CB -0.958 31.732 32.600 0.150 0.000 1.402 54 M HN 0.207 nan 8.290 nan 0.000 0.444 55 R N 0.227 120.735 120.500 0.014 0.000 2.235 55 R HA 0.023 4.363 4.340 0.000 0.000 0.213 55 R C 0.449 176.732 176.300 -0.028 0.000 1.059 55 R CA 0.389 56.492 56.100 0.003 0.000 0.997 55 R CB 0.048 30.357 30.300 0.016 0.000 0.884 55 R HN 0.370 nan 8.270 nan 0.000 0.462 56 K N 1.032 121.398 120.400 -0.056 0.000 2.295 56 K HA -0.012 4.308 4.320 0.000 0.000 0.270 56 K C 0.899 177.430 176.600 -0.114 0.000 1.011 56 K CA -0.199 56.038 56.287 -0.083 0.000 0.953 56 K CB 0.724 33.160 32.500 -0.108 0.000 0.956 56 K HN -0.041 nan 8.250 nan 0.000 0.477 57 E N 2.255 122.397 120.200 -0.098 0.000 2.106 57 E HA -0.114 4.236 4.350 0.000 0.000 0.192 57 E C -0.011 176.499 176.600 -0.151 0.000 0.984 57 E CA 1.321 57.660 56.400 -0.103 0.000 0.806 57 E CB 0.102 29.760 29.700 -0.070 0.000 0.750 57 E HN 0.415 nan 8.360 nan 0.000 0.458 58 R N 0.334 120.736 120.500 -0.164 0.000 2.538 58 R HA 0.488 4.828 4.340 0.000 0.000 0.292 58 R C -0.336 175.826 176.300 -0.229 0.000 1.008 58 R CA -0.405 55.587 56.100 -0.181 0.000 0.896 58 R CB 2.195 32.436 30.300 -0.099 0.000 1.187 58 R HN -0.108 nan 8.270 nan 0.000 0.440 59 R N 1.132 121.419 120.500 -0.356 0.000 2.807 59 R HA 0.386 4.726 4.340 0.000 0.000 0.276 59 R C -0.886 175.326 176.300 -0.147 0.000 0.979 59 R CA -1.071 54.795 56.100 -0.391 0.000 0.928 59 R CB 1.634 31.364 30.300 -0.950 0.000 1.191 59 R HN 0.676 nan 8.270 nan 0.000 0.471 60 D N -1.056 119.352 120.400 0.014 0.000 2.689 60 D HA 0.148 4.788 4.640 0.000 0.000 0.255 60 D C 0.003 176.440 176.300 0.228 0.000 1.113 60 D CA -0.674 53.406 54.000 0.132 0.000 1.115 60 D CB 0.495 41.338 40.800 0.072 0.000 1.334 60 D HN 0.260 nan 8.370 nan 0.000 0.621 61 D N -1.005 119.499 120.400 0.174 0.000 2.144 61 D HA -0.132 4.509 4.640 0.000 0.000 0.199 61 D C 1.217 177.594 176.300 0.129 0.000 0.984 61 D CA 0.922 55.016 54.000 0.156 0.000 0.834 61 D CB -0.035 40.829 40.800 0.107 0.000 0.955 61 D HN 0.270 nan 8.370 nan 0.000 0.465 62 N N 1.277 120.037 118.700 0.100 0.000 2.069 62 N HA -0.136 4.604 4.740 0.000 0.000 0.191 62 N C 1.301 176.866 175.510 0.091 0.000 1.031 62 N CA 0.986 54.080 53.050 0.074 0.000 0.852 62 N CB -0.336 38.181 38.487 0.050 0.000 1.018 62 N HN 0.216 nan 8.380 nan 0.000 0.423 63 D N 0.241 120.717 120.400 0.127 0.000 2.097 63 D HA -0.126 4.514 4.640 0.000 0.000 0.195 63 D C 2.026 178.484 176.300 0.263 0.000 0.989 63 D CA 0.499 54.598 54.000 0.164 0.000 0.827 63 D CB -0.432 40.447 40.800 0.133 0.000 0.966 63 D HN 0.129 nan 8.370 nan 0.000 0.456 64 L N 1.513 122.955 121.223 0.366 0.000 2.046 64 L HA -0.154 4.186 4.340 0.000 0.000 0.208 64 L C 2.122 179.028 176.870 0.059 0.000 1.077 64 L CA 1.747 56.709 54.840 0.204 0.000 0.747 64 L CB -0.552 41.567 42.059 0.100 0.000 0.896 64 L HN -0.114 nan 8.230 nan 0.000 0.432 65 K N -0.812 119.626 120.400 0.063 0.000 2.044 65 K HA -0.206 4.114 4.320 0.000 0.000 0.210 65 K C 2.189 178.788 176.600 -0.000 0.000 1.049 65 K CA 1.576 57.875 56.287 0.020 0.000 0.927 65 K CB -0.083 32.431 32.500 0.025 0.000 0.713 65 K HN 0.321 nan 8.250 nan 0.000 0.443 66 R N 0.392 120.899 120.500 0.012 0.000 2.092 66 R HA -0.135 4.205 4.340 0.000 0.000 0.231 66 R C 2.441 178.708 176.300 -0.055 0.000 1.119 66 R CA 1.073 57.160 56.100 -0.022 0.000 0.970 66 R CB -0.551 29.740 30.300 -0.015 0.000 0.864 66 R HN 0.269 nan 8.270 nan 0.000 0.440 67 L N 1.158 122.363 121.223 -0.029 0.000 2.072 67 L HA -0.070 4.270 4.340 0.000 0.000 0.205 67 L C 2.333 179.148 176.870 -0.091 0.000 1.079 67 L CA 1.572 56.368 54.840 -0.073 0.000 0.752 67 L CB -0.218 41.809 42.059 -0.054 0.000 0.906 67 L HN -0.090 nan 8.230 nan 0.000 0.436 68 R N -0.300 120.147 120.500 -0.089 0.000 2.092 68 R HA -0.130 4.210 4.340 0.000 0.000 0.231 68 R C 1.904 178.168 176.300 -0.060 0.000 1.119 68 R CA 1.482 57.530 56.100 -0.088 0.000 0.970 68 R CB -0.469 29.781 30.300 -0.083 0.000 0.864 68 R HN 0.426 nan 8.270 nan 0.000 0.440 69 D N 0.725 121.093 120.400 -0.054 0.000 2.084 69 D HA -0.153 4.487 4.640 0.000 0.000 0.194 69 D C 1.789 178.053 176.300 -0.059 0.000 0.990 69 D CA 0.837 54.807 54.000 -0.049 0.000 0.826 69 D CB -0.269 40.504 40.800 -0.045 0.000 0.971 69 D HN 0.004 nan 8.370 nan 0.000 0.453 70 L N 1.171 122.342 121.223 -0.086 0.000 2.042 70 L HA -0.176 4.164 4.340 0.000 0.000 0.210 70 L C 1.600 178.463 176.870 -0.012 0.000 1.076 70 L CA 1.650 56.426 54.840 -0.107 0.000 0.749 70 L CB -0.661 41.240 42.059 -0.262 0.000 0.893 70 L HN -0.066 nan 8.230 nan 0.000 0.432 71 N N -0.607 118.106 118.700 0.021 0.000 2.120 71 N HA -0.240 4.500 4.740 0.000 0.000 0.188 71 N C 1.862 177.372 175.510 0.001 0.000 1.024 71 N CA 1.404 54.482 53.050 0.047 0.000 0.852 71 N CB -0.304 38.176 38.487 -0.012 0.000 1.003 71 N HN 0.470 nan 8.380 nan 0.000 0.424 72 Q N 0.513 120.301 119.800 -0.020 0.000 2.084 72 Q HA 0.017 4.357 4.340 0.000 0.000 0.202 72 Q C 1.854 177.842 176.000 -0.020 0.000 0.978 72 Q CA 1.762 57.551 55.803 -0.023 0.000 0.844 72 Q CB -0.304 28.418 28.738 -0.027 0.000 0.898 72 Q HN 0.386 nan 8.270 nan 0.000 0.426 73 A N -0.693 122.111 122.820 -0.027 0.000 1.877 73 A HA -0.150 4.170 4.320 0.000 0.000 0.216 73 A C 2.232 179.799 177.584 -0.028 0.000 1.186 73 A CA 1.668 53.684 52.037 -0.034 0.000 0.620 73 A CB -0.858 18.108 19.000 -0.057 0.000 0.822 73 A HN 0.284 nan 8.150 nan 0.000 0.443 74 V N 0.638 120.542 119.914 -0.017 0.000 2.295 74 V HA -0.285 3.835 4.120 0.000 0.000 0.246 74 V C 2.390 178.477 176.094 -0.012 0.000 1.049 74 V CA 2.339 64.632 62.300 -0.012 0.000 1.024 74 V CB -1.231 30.602 31.823 0.016 0.000 0.648 74 V HN 0.742 nan 8.190 nan 0.000 0.447 75 N N 1.041 119.735 118.700 -0.011 0.000 2.091 75 N HA -0.217 4.523 4.740 0.000 0.000 0.193 75 N C 1.407 176.914 175.510 -0.006 0.000 1.021 75 N CA 1.808 54.852 53.050 -0.009 0.000 0.862 75 N CB -0.271 38.210 38.487 -0.011 0.000 1.018 75 N HN 0.459 nan 8.380 nan 0.000 0.429 76 N N -0.416 118.280 118.700 -0.007 0.000 2.521 76 N HA 0.035 4.775 4.740 0.000 0.000 0.188 76 N C 0.775 176.286 175.510 0.001 0.000 1.146 76 N CA 0.359 53.407 53.050 -0.003 0.000 0.893 76 N CB 0.175 38.659 38.487 -0.005 0.000 0.975 76 N HN 0.396 nan 8.380 nan 0.000 0.451 77 L N -0.547 120.676 121.223 -0.000 0.000 2.642 77 L HA 0.211 4.551 4.340 0.000 0.000 0.233 77 L C 0.346 177.217 176.870 0.003 0.000 1.077 77 L CA -0.035 54.809 54.840 0.007 0.000 0.879 77 L CB 0.523 42.588 42.059 0.009 0.000 1.151 77 L HN -0.063 nan 8.230 nan 0.000 0.495 78 V N -3.842 116.068 119.914 -0.007 0.000 2.713 78 V HA 0.394 4.514 4.120 0.000 0.000 0.307 78 V C 0.875 176.954 176.094 -0.025 0.000 1.052 78 V CA -0.578 61.709 62.300 -0.021 0.000 0.967 78 V CB 1.854 33.657 31.823 -0.033 0.000 1.019 78 V HN 0.002 nan 8.190 nan 0.000 0.459 79 E N 2.102 122.273 120.200 -0.048 0.000 2.250 79 E HA 0.232 4.582 4.350 0.000 0.000 0.192 79 E C 0.528 177.082 176.600 -0.078 0.000 0.986 79 E CA 0.626 56.997 56.400 -0.047 0.000 0.849 79 E CB 0.084 29.752 29.700 -0.052 0.000 0.797 79 E HN 0.730 nan 8.360 nan 0.000 0.482 80 L N 2.926 124.047 121.223 -0.170 0.000 2.334 80 L HA 0.196 4.536 4.340 0.000 0.000 0.286 80 L C -0.027 176.825 176.870 -0.030 0.000 1.108 80 L CA -0.073 54.602 54.840 -0.274 0.000 0.875 80 L CB 0.039 41.813 42.059 -0.475 0.000 1.246 80 L HN -0.141 nan 8.230 nan 0.000 0.439 81 K N 1.308 121.787 120.400 0.132 0.000 2.543 81 K HA 0.492 4.812 4.320 0.000 0.000 0.255 81 K C -0.984 175.732 176.600 0.194 0.000 0.934 81 K CA -0.705 55.660 56.287 0.130 0.000 0.810 81 K CB 1.737 34.276 32.500 0.065 0.000 1.315 81 K HN 0.076 nan 8.250 nan 0.000 0.433 82 S N 1.506 117.292 115.700 0.143 0.000 2.576 82 S HA 0.245 4.715 4.470 0.000 0.000 0.276 82 S C -0.109 174.518 174.600 0.044 0.000 1.339 82 S CA -0.300 57.955 58.200 0.092 0.000 1.039 82 S CB 0.772 64.001 63.200 0.047 0.000 0.902 82 S HN 0.663 nan 8.310 nan 0.000 0.516 83 T N 1.036 115.600 114.554 0.017 0.000 2.824 83 T HA 0.432 4.782 4.350 0.000 0.000 0.282 83 T C -0.503 174.182 174.700 -0.026 0.000 0.993 83 T CA -0.941 61.159 62.100 0.000 0.000 0.967 83 T CB 1.245 70.117 68.868 0.006 0.000 0.960 83 T HN 0.420 nan 8.240 nan 0.000 0.441 84 Q N 1.864 121.645 119.800 -0.031 0.000 2.549 84 Q HA 0.094 4.434 4.340 0.000 0.000 0.347 84 Q C -0.542 175.428 176.000 -0.051 0.000 1.081 84 Q CA 1.087 56.861 55.803 -0.047 0.000 1.093 84 Q CB 0.232 28.943 28.738 -0.044 0.000 1.067 84 Q HN 0.738 nan 8.270 nan 0.000 0.398 85 Q N 2.717 122.478 119.800 -0.065 0.000 2.961 85 Q HA 0.240 4.580 4.340 0.000 0.000 0.223 85 Q C -1.839 174.117 176.000 -0.075 0.000 0.859 85 Q CA -0.302 55.462 55.803 -0.065 0.000 0.771 85 Q CB 0.813 29.510 28.738 -0.068 0.000 1.389 85 Q HN 0.572 nan 8.270 nan 0.000 0.460 86 K N 1.582 121.942 120.400 -0.067 0.000 2.322 86 K HA 0.582 4.902 4.320 0.000 0.000 0.283 86 K C -0.894 175.670 176.600 -0.060 0.000 1.042 86 K CA 0.072 56.317 56.287 -0.069 0.000 0.958 86 K CB 0.584 33.047 32.500 -0.061 0.000 0.984 86 K HN 0.566 nan 8.250 nan 0.000 0.473 87 S N 4.557 120.220 115.700 -0.062 0.000 2.521 87 S HA 0.499 4.969 4.470 0.000 0.000 0.295 87 S C -0.532 174.043 174.600 -0.041 0.000 1.098 87 S CA -0.831 57.337 58.200 -0.053 0.000 0.999 87 S CB 0.986 64.149 63.200 -0.062 0.000 1.034 87 S HN 0.523 nan 8.310 nan 0.000 0.483 88 I N 3.105 123.656 120.570 -0.032 0.000 2.362 88 I HA 0.358 4.528 4.170 0.000 0.000 0.289 88 I C -0.815 175.290 176.117 -0.020 0.000 0.994 88 I CA -0.720 60.567 61.300 -0.022 0.000 1.158 88 I CB 1.020 39.009 38.000 -0.018 0.000 1.315 88 I HN 0.350 nan 8.210 nan 0.000 0.451 89 L N 6.958 128.172 121.223 -0.016 0.000 2.276 89 L HA 0.567 4.907 4.340 0.000 0.000 0.286 89 L C 0.109 176.975 176.870 -0.007 0.000 1.061 89 L CA -0.463 54.370 54.840 -0.013 0.000 0.807 89 L CB 0.435 42.487 42.059 -0.011 0.000 1.177 89 L HN 0.600 nan 8.230 nan 0.000 0.429 90 R N 1.700 122.196 120.500 -0.007 0.000 2.888 90 R HA 0.574 4.914 4.340 0.000 0.000 0.266 90 R C -1.010 175.288 176.300 -0.003 0.000 1.020 90 R CA -1.179 54.918 56.100 -0.005 0.000 0.963 90 R CB 2.289 32.585 30.300 -0.006 0.000 1.197 90 R HN 0.255 nan 8.270 nan 0.000 0.481 91 V N 1.681 121.593 119.914 -0.002 0.000 2.557 91 V HA 0.186 4.306 4.120 0.000 0.000 0.301 91 V C 0.978 177.070 176.094 -0.002 0.000 1.026 91 V CA 1.544 63.843 62.300 -0.001 0.000 1.137 91 V CB 0.387 32.209 31.823 -0.001 0.000 0.917 91 V HN 1.115 nan 8.190 nan 0.000 0.484 92 G N 3.284 112.083 108.800 -0.001 0.000 2.680 92 G HA2 0.001 3.961 3.960 0.000 0.000 0.092 92 G HA3 0.001 3.961 3.960 0.000 0.000 0.092 92 G C 0.784 175.685 174.900 0.001 0.000 1.097 92 G CA 0.365 45.465 45.100 -0.001 0.000 1.368 92 G HN 0.420 nan 8.290 nan 0.000 0.619 93 T N 1.545 116.100 114.554 0.003 0.000 2.721 93 T HA -0.058 4.292 4.350 0.000 0.000 0.268 93 T C 1.141 175.844 174.700 0.005 0.000 1.038 93 T CA 1.140 63.244 62.100 0.006 0.000 1.145 93 T CB -0.408 68.466 68.868 0.009 0.000 0.858 93 T HN 0.175 nan 8.240 nan 0.000 0.459 94 L N 2.799 124.023 121.223 0.002 0.000 2.260 94 L HA 0.287 4.627 4.340 0.000 0.000 0.289 94 L C 1.031 177.902 176.870 0.002 0.000 1.057 94 L CA -0.910 53.931 54.840 0.002 0.000 0.811 94 L CB 0.908 42.968 42.059 0.001 0.000 1.184 94 L HN 0.220 nan 8.230 nan 0.000 0.429 95 T N -1.075 113.480 114.554 0.002 0.000 2.748 95 T HA -0.030 4.320 4.350 0.000 0.000 0.304 95 T C 1.340 176.042 174.700 0.002 0.000 1.041 95 T CA -0.061 62.039 62.100 0.001 0.000 1.033 95 T CB 1.206 70.074 68.868 -0.000 0.000 0.995 95 T HN 0.568 nan 8.240 nan 0.000 0.536 96 S N 0.015 115.716 115.700 0.001 0.000 2.365 96 S HA -0.225 4.245 4.470 0.000 0.000 0.225 96 S C 1.735 176.337 174.600 0.004 0.000 1.039 96 S CA 2.090 60.291 58.200 0.002 0.000 1.033 96 S CB -0.950 62.251 63.200 0.001 0.000 0.887 96 S HN 0.913 nan 8.310 nan 0.000 0.447 97 D N 0.542 120.943 120.400 0.002 0.000 2.117 97 D HA -0.095 4.545 4.640 0.000 0.000 0.198 97 D C 1.609 177.913 176.300 0.007 0.000 0.982 97 D CA 1.443 55.445 54.000 0.003 0.000 0.828 97 D CB -0.382 40.418 40.800 -0.000 0.000 0.967 97 D HN 0.363 nan 8.370 nan 0.000 0.464 98 D N 0.062 120.466 120.400 0.005 0.000 2.133 98 D HA -0.188 4.452 4.640 0.000 0.000 0.192 98 D C 2.284 178.594 176.300 0.017 0.000 1.001 98 D CA 0.854 54.860 54.000 0.009 0.000 0.844 98 D CB -0.409 40.394 40.800 0.006 0.000 0.944 98 D HN 0.344 nan 8.370 nan 0.000 0.447 99 L N 0.239 121.470 121.223 0.013 0.000 2.083 99 L HA -0.136 4.204 4.340 0.000 0.000 0.209 99 L C 2.621 179.504 176.870 0.021 0.000 1.083 99 L CA 0.618 55.468 54.840 0.016 0.000 0.752 99 L CB -0.398 41.667 42.059 0.011 0.000 0.899 99 L HN 0.023 nan 8.230 nan 0.000 0.433 100 L N -0.566 120.668 121.223 0.019 0.000 2.093 100 L HA -0.181 4.159 4.340 0.000 0.000 0.208 100 L C 2.458 179.347 176.870 0.031 0.000 1.085 100 L CA 1.156 56.008 54.840 0.021 0.000 0.755 100 L CB -0.434 41.634 42.059 0.015 0.000 0.904 100 L HN 0.223 nan 8.230 nan 0.000 0.435 101 I N -0.275 120.315 120.570 0.033 0.000 2.163 101 I HA -0.304 3.866 4.170 0.000 0.000 0.240 101 I C 2.470 178.629 176.117 0.070 0.000 1.081 101 I CA 1.402 62.731 61.300 0.049 0.000 1.353 101 I CB -0.314 37.711 38.000 0.041 0.000 1.054 101 I HN 0.174 nan 8.210 nan 0.000 0.407 102 L N 0.653 121.914 121.223 0.063 0.000 2.046 102 L HA -0.216 4.124 4.340 0.000 0.000 0.208 102 L C 2.870 179.776 176.870 0.060 0.000 1.077 102 L CA 1.383 56.266 54.840 0.070 0.000 0.747 102 L CB -0.623 41.466 42.059 0.051 0.000 0.896 102 L HN 0.266 nan 8.230 nan 0.000 0.432 103 A N -0.153 122.695 122.820 0.047 0.000 1.908 103 A HA -0.230 4.090 4.320 0.000 0.000 0.218 103 A C 2.492 180.103 177.584 0.044 0.000 1.181 103 A CA 1.912 53.974 52.037 0.043 0.000 0.627 103 A CB -0.748 18.271 19.000 0.033 0.000 0.818 103 A HN 0.436 nan 8.150 nan 0.000 0.445 104 A N -0.330 122.519 122.820 0.049 0.000 1.898 104 A HA -0.152 4.168 4.320 0.000 0.000 0.216 104 A C 1.802 179.424 177.584 0.065 0.000 1.181 104 A CA 1.826 53.895 52.037 0.052 0.000 0.620 104 A CB -0.522 18.511 19.000 0.056 0.000 0.819 104 A HN 0.439 nan 8.150 nan 0.000 0.442 105 D N -0.175 120.277 120.400 0.087 0.000 2.183 105 D HA -0.046 4.594 4.640 0.000 0.000 0.203 105 D C 1.927 178.256 176.300 0.048 0.000 0.969 105 D CA 0.667 54.726 54.000 0.098 0.000 0.842 105 D CB -0.199 40.700 40.800 0.164 0.000 0.957 105 D HN 0.425 nan 8.370 nan 0.000 0.484 106 L N 0.744 121.997 121.223 0.050 0.000 2.056 106 L HA -0.113 4.227 4.340 0.000 0.000 0.207 106 L C 2.466 179.345 176.870 0.015 0.000 1.078 106 L CA 0.940 55.817 54.840 0.062 0.000 0.749 106 L CB -0.221 41.892 42.059 0.091 0.000 0.901 106 L HN -0.003 nan 8.230 nan 0.000 0.433 107 E N 0.742 120.938 120.200 -0.006 0.000 2.085 107 E HA -0.254 4.096 4.350 0.000 0.000 0.194 107 E C 2.059 178.600 176.600 -0.098 0.000 0.994 107 E CA 1.422 57.782 56.400 -0.068 0.000 0.801 107 E CB 0.144 29.825 29.700 -0.031 0.000 0.743 107 E HN 0.446 nan 8.360 nan 0.000 0.453 108 K N 0.057 120.437 120.400 -0.033 0.000 2.103 108 K HA -0.120 4.200 4.320 0.000 0.000 0.204 108 K C 2.195 178.761 176.600 -0.057 0.000 1.052 108 K CA 0.597 56.871 56.287 -0.022 0.000 0.945 108 K CB -0.103 32.432 32.500 0.058 0.000 0.722 108 K HN 0.062 nan 8.250 nan 0.000 0.443 109 L N 1.971 123.169 121.223 -0.042 0.000 2.109 109 L HA -0.105 4.235 4.340 0.000 0.000 0.207 109 L C 2.164 178.958 176.870 -0.126 0.000 1.086 109 L CA 1.732 56.562 54.840 -0.017 0.000 0.760 109 L CB -0.361 41.743 42.059 0.075 0.000 0.910 109 L HN -0.008 nan 8.230 nan 0.000 0.437 110 K N -1.081 119.118 120.400 -0.335 0.000 2.044 110 K HA -0.228 4.092 4.320 0.000 0.000 0.210 110 K C 2.320 178.510 176.600 -0.683 0.000 1.049 110 K CA 1.795 57.480 56.287 -1.003 0.000 0.927 110 K CB -0.330 31.453 32.500 -1.195 0.000 0.713 110 K HN 0.439 nan 8.250 nan 0.000 0.443 111 S N 0.565 116.035 115.700 -0.383 0.000 2.355 111 S HA -0.167 4.303 4.470 0.000 0.000 0.222 111 S C 2.019 176.501 174.600 -0.197 0.000 1.031 111 S CA 1.523 59.562 58.200 -0.268 0.000 0.993 111 S CB -0.248 62.828 63.200 -0.207 0.000 0.859 111 S HN 0.373 nan 8.310 nan 0.000 0.453 112 K N 0.320 120.630 120.400 -0.149 0.000 2.009 112 K HA -0.085 4.235 4.320 0.000 0.000 0.210 112 K C 2.042 178.586 176.600 -0.093 0.000 1.049 112 K CA 1.861 58.093 56.287 -0.092 0.000 0.929 112 K CB -0.486 31.984 32.500 -0.050 0.000 0.714 112 K HN 0.338 nan 8.250 nan 0.000 0.440 113 V N 1.947 121.800 119.914 -0.103 0.000 2.261 113 V HA -0.278 3.842 4.120 0.000 0.000 0.246 113 V C 2.383 178.464 176.094 -0.022 0.000 1.047 113 V CA 1.829 64.100 62.300 -0.049 0.000 1.015 113 V CB -0.341 31.535 31.823 0.087 0.000 0.642 113 V HN 0.337 nan 8.190 nan 0.000 0.446 114 I N -0.343 120.184 120.570 -0.071 0.000 2.127 114 I HA -0.305 3.865 4.170 0.000 0.000 0.241 114 I C 2.695 178.790 176.117 -0.037 0.000 1.075 114 I CA 1.820 63.103 61.300 -0.029 0.000 1.334 114 I CB -0.525 37.420 38.000 -0.090 0.000 1.040 114 I HN 0.228 nan 8.210 nan 0.000 0.405 115 R N -0.067 120.391 120.500 -0.070 0.000 2.241 115 R HA -0.093 4.247 4.340 0.000 0.000 0.224 115 R C 2.129 178.404 176.300 -0.041 0.000 1.101 115 R CA 1.481 57.547 56.100 -0.057 0.000 0.995 115 R CB -0.258 29.997 30.300 -0.074 0.000 0.870 115 R HN 0.413 nan 8.270 nan 0.000 0.463 116 T N -0.062 114.466 114.554 -0.043 0.000 2.939 116 T HA 0.001 4.351 4.350 0.000 0.000 0.254 116 T C 1.356 176.034 174.700 -0.037 0.000 1.041 116 T CA 0.851 62.926 62.100 -0.043 0.000 1.142 116 T CB 0.180 69.013 68.868 -0.058 0.000 0.874 116 T HN 0.315 nan 8.240 nan 0.000 0.452 117 E N 0.484 120.667 120.200 -0.028 0.000 2.206 117 E HA 0.182 4.532 4.350 0.000 0.000 0.195 117 E C 2.323 178.923 176.600 -0.000 0.000 0.935 117 E CA -0.082 56.300 56.400 -0.029 0.000 0.875 117 E CB 0.115 29.798 29.700 -0.028 0.000 0.841 117 E HN 0.158 nan 8.360 nan 0.000 0.477 118 R N 1.060 121.570 120.500 0.017 0.000 2.103 118 R HA -0.114 4.226 4.340 0.000 0.000 0.242 118 R C -0.755 175.566 176.300 0.034 0.000 1.142 118 R CA 1.587 57.706 56.100 0.031 0.000 0.960 118 R CB -0.708 29.610 30.300 0.030 0.000 0.858 118 R HN 0.054 nan 8.270 nan 0.000 0.439 119 P HA -0.139 nan 4.420 nan 0.000 0.218 119 P C 0.940 178.270 177.300 0.050 0.000 1.148 119 P CA 1.102 64.219 63.100 0.029 0.000 0.822 119 P CB -0.028 31.680 31.700 0.014 0.000 0.784 120 L N -0.749 120.510 121.223 0.059 0.000 2.197 120 L HA -0.251 4.089 4.340 0.000 0.000 0.215 120 L C 2.267 179.243 176.870 0.177 0.000 1.095 120 L CA 2.160 57.068 54.840 0.115 0.000 0.764 120 L CB -0.736 41.406 42.059 0.139 0.000 0.897 120 L HN 0.208 nan 8.230 nan 0.000 0.436 121 S N -2.285 113.500 115.700 0.142 0.000 2.731 121 S HA 0.190 4.660 4.470 0.000 0.000 0.244 121 S C 1.938 176.607 174.600 0.115 0.000 1.084 121 S CA 0.205 58.505 58.200 0.166 0.000 0.877 121 S CB 0.098 63.387 63.200 0.147 0.000 0.798 121 S HN 0.187 nan 8.310 nan 0.000 0.496 122 A N 1.771 124.639 122.820 0.081 0.000 1.968 122 A HA 0.547 4.867 4.320 0.000 0.000 0.217 122 A C 1.523 179.144 177.584 0.062 0.000 1.169 122 A CA 0.885 52.959 52.037 0.062 0.000 0.638 122 A CB -1.293 17.730 19.000 0.039 0.000 0.812 122 A HN 1.795 nan 8.150 nan 0.000 0.446 123 G N -2.549 106.288 108.800 0.061 0.000 2.690 123 G HA2 0.125 4.085 3.960 0.000 0.000 0.686 123 G HA3 0.125 4.085 3.960 0.000 0.000 0.686 123 G C -0.788 174.144 174.900 0.055 0.000 1.277 123 G CA -0.418 44.716 45.100 0.057 0.000 0.799 123 G HN 1.044 nan 8.290 nan 0.000 0.613 124 V N 1.640 121.585 119.914 0.051 0.000 2.483 124 V HA 0.493 4.613 4.120 0.000 0.000 0.297 124 V C -0.011 176.131 176.094 0.081 0.000 1.027 124 V CA -0.867 61.469 62.300 0.061 0.000 0.855 124 V CB 1.670 33.510 31.823 0.029 0.000 0.995 124 V HN 1.040 nan 8.190 nan 0.000 0.424 125 Y N 6.059 126.359 120.300 -0.001 0.000 2.544 125 Y HA 0.235 4.785 4.550 0.000 0.000 0.330 125 Y C 0.712 176.610 175.900 -0.003 0.000 1.136 125 Y CA 0.234 58.334 58.100 -0.001 0.000 1.417 125 Y CB 0.729 39.187 38.460 -0.002 0.000 1.229 125 Y HN 0.552 nan 8.280 nan 0.000 0.532 126 M N 6.805 126.041 119.600 -0.606 0.000 3.002 126 M HA 0.244 4.724 4.480 0.000 0.000 0.398 126 M C 0.539 176.490 176.300 -0.582 0.000 1.366 126 M CA -0.002 55.038 55.300 -0.433 0.000 0.824 126 M CB 0.201 32.672 32.600 -0.216 0.000 1.414 126 M HN 0.873 nan 8.290 nan 0.000 0.501 127 G N 1.300 109.397 108.800 -1.171 0.000 3.411 127 G HA2 0.062 4.022 3.960 0.000 0.000 0.186 127 G HA3 0.062 4.022 3.960 0.000 0.000 0.186 127 G C 0.122 174.897 174.900 -0.207 0.000 1.766 127 G CA -0.133 44.559 45.100 -0.680 0.000 0.971 127 G HN 0.420 nan 8.290 nan 0.000 0.590 128 N N 0.645 119.389 118.700 0.073 0.000 2.466 128 N HA 0.313 5.053 4.740 0.000 0.000 0.263 128 N C -0.604 175.010 175.510 0.173 0.000 1.178 128 N CA 0.154 53.276 53.050 0.121 0.000 0.983 128 N CB -0.604 37.963 38.487 0.133 0.000 1.331 128 N HN 0.265 nan 8.380 nan 0.000 0.500 129 L N 0.363 121.640 121.223 0.089 0.000 2.322 129 L HA 0.536 4.876 4.340 0.000 0.000 0.252 129 L C 0.268 177.161 176.870 0.039 0.000 1.055 129 L CA -1.276 53.616 54.840 0.086 0.000 0.849 129 L CB 1.539 43.655 42.059 0.095 0.000 1.446 129 L HN 0.327 nan 8.230 nan 0.000 0.416 130 S N -0.978 114.742 115.700 0.033 0.000 2.579 130 S HA 0.129 4.599 4.470 0.000 0.000 0.275 130 S C 0.995 175.601 174.600 0.010 0.000 1.345 130 S CA -0.254 57.957 58.200 0.018 0.000 1.031 130 S CB 1.259 64.469 63.200 0.016 0.000 0.892 130 S HN 0.608 nan 8.310 nan 0.000 0.529 131 S N 1.717 117.420 115.700 0.005 0.000 2.393 131 S HA -0.287 4.183 4.470 0.000 0.000 0.235 131 S C 1.969 176.570 174.600 0.001 0.000 1.061 131 S CA 1.909 60.109 58.200 0.000 0.000 1.129 131 S CB -0.717 62.483 63.200 -0.000 0.000 1.011 131 S HN 0.820 nan 8.310 nan 0.000 0.436 132 Q N 0.432 120.235 119.800 0.004 0.000 2.124 132 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 132 Q C 2.529 178.533 176.000 0.007 0.000 0.977 132 Q CA 1.240 57.046 55.803 0.005 0.000 0.850 132 Q CB -0.203 28.539 28.738 0.006 0.000 0.901 132 Q HN 0.637 nan 8.270 nan 0.000 0.429 133 Q N 0.130 119.937 119.800 0.012 0.000 2.061 133 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 133 Q C 2.200 178.206 176.000 0.011 0.000 0.984 133 Q CA 1.116 56.930 55.803 0.018 0.000 0.846 133 Q CB -0.072 28.685 28.738 0.031 0.000 0.902 133 Q HN 0.369 nan 8.270 nan 0.000 0.421 134 L N 0.573 121.798 121.223 0.003 0.000 2.083 134 L HA -0.234 4.106 4.340 0.000 0.000 0.209 134 L C 1.813 178.677 176.870 -0.010 0.000 1.083 134 L CA 0.949 55.783 54.840 -0.011 0.000 0.752 134 L CB -0.372 41.675 42.059 -0.021 0.000 0.899 134 L HN 0.204 nan 8.230 nan 0.000 0.433 135 D N -0.254 120.142 120.400 -0.005 0.000 2.097 135 D HA -0.206 4.434 4.640 0.000 0.000 0.195 135 D C 2.312 178.610 176.300 -0.002 0.000 0.989 135 D CA 1.175 55.172 54.000 -0.004 0.000 0.827 135 D CB -0.188 40.611 40.800 -0.002 0.000 0.966 135 D HN 0.358 nan 8.370 nan 0.000 0.456 136 Q N -0.026 119.775 119.800 0.002 0.000 2.124 136 Q HA -0.094 4.247 4.340 0.000 0.000 0.202 136 Q C 2.313 178.314 176.000 0.002 0.000 0.977 136 Q CA 1.004 56.809 55.803 0.004 0.000 0.850 136 Q CB 0.023 28.765 28.738 0.007 0.000 0.901 136 Q HN 0.212 nan 8.270 nan 0.000 0.429 137 R N 0.201 120.702 120.500 0.001 0.000 2.062 137 R HA -0.025 4.315 4.340 0.000 0.000 0.229 137 R C 2.300 178.596 176.300 -0.007 0.000 1.128 137 R CA 1.011 57.111 56.100 -0.000 0.000 0.960 137 R CB -0.023 30.277 30.300 0.001 0.000 0.855 137 R HN 0.113 nan 8.270 nan 0.000 0.432 138 R N 0.044 120.537 120.500 -0.012 0.000 2.105 138 R HA -0.136 4.204 4.340 0.000 0.000 0.239 138 R C 2.251 178.545 176.300 -0.010 0.000 1.135 138 R CA 1.433 57.524 56.100 -0.014 0.000 0.967 138 R CB -0.341 29.950 30.300 -0.016 0.000 0.861 138 R HN 0.227 nan 8.270 nan 0.000 0.442 139 A N 1.184 124.001 122.820 -0.006 0.000 1.877 139 A HA -0.176 4.144 4.320 0.000 0.000 0.216 139 A C 2.089 179.671 177.584 -0.004 0.000 1.186 139 A CA 1.254 53.288 52.037 -0.004 0.000 0.620 139 A CB -0.484 18.516 19.000 -0.000 0.000 0.822 139 A HN 0.293 nan 8.150 nan 0.000 0.443 140 L N -0.270 120.950 121.223 -0.005 0.000 2.027 140 L HA -0.084 4.256 4.340 0.000 0.000 0.206 140 L C 2.244 179.109 176.870 -0.009 0.000 1.074 140 L CA 1.717 56.553 54.840 -0.006 0.000 0.745 140 L CB -0.470 41.585 42.059 -0.006 0.000 0.898 140 L HN 0.379 nan 8.230 nan 0.000 0.433 141 L N -0.090 121.128 121.223 -0.010 0.000 2.046 141 L HA -0.204 4.136 4.340 0.000 0.000 0.208 141 L C 2.272 179.135 176.870 -0.012 0.000 1.077 141 L CA 1.245 56.078 54.840 -0.012 0.000 0.747 141 L CB -0.823 41.228 42.059 -0.015 0.000 0.896 141 L HN 0.393 nan 8.230 nan 0.000 0.432 142 N N 0.126 118.819 118.700 -0.011 0.000 2.270 142 N HA -0.165 4.575 4.740 0.000 0.000 0.181 142 N C 1.849 177.353 175.510 -0.010 0.000 1.016 142 N CA 1.378 54.422 53.050 -0.010 0.000 0.870 142 N CB -0.180 38.302 38.487 -0.009 0.000 0.979 142 N HN 0.466 nan 8.380 nan 0.000 0.431 143 M N 0.038 119.632 119.600 -0.009 0.000 2.419 143 M HA 0.087 4.567 4.480 0.000 0.000 0.264 143 M C 1.324 177.615 176.300 -0.014 0.000 1.082 143 M CA 1.265 56.559 55.300 -0.010 0.000 1.119 143 M CB -0.108 32.489 32.600 -0.006 0.000 1.398 143 M HN 0.083 nan 8.290 nan 0.000 0.453 144 I N -2.966 117.594 120.570 -0.016 0.000 3.904 144 I HA 0.541 4.711 4.170 0.000 0.000 0.333 144 I C 1.003 177.108 176.117 -0.021 0.000 1.361 144 I CA 0.340 61.627 61.300 -0.021 0.000 1.116 144 I CB -0.341 37.646 38.000 -0.022 0.000 1.028 144 I HN 0.508 nan 8.210 nan 0.000 0.398 145 G N 2.124 110.914 108.800 -0.017 0.000 2.179 145 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 145 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 145 G C 0.320 175.211 174.900 -0.015 0.000 0.977 145 G CA 0.298 45.389 45.100 -0.015 0.000 0.641 145 G HN 0.474 nan 8.290 nan 0.000 0.533 146 M N 2.787 122.378 119.600 -0.016 0.000 3.654 146 M HA 0.264 4.744 4.480 0.000 0.000 0.212 146 M C 0.729 177.017 176.300 -0.019 0.000 1.354 146 M CA -0.038 55.252 55.300 -0.018 0.000 1.564 146 M CB 0.093 32.684 32.600 -0.014 0.000 1.056 146 M HN 0.258 nan 8.290 nan 0.000 0.608 159 G N -0.822 107.974 108.800 -0.007 0.000 2.225 159 G HA2 -0.232 3.728 3.960 0.000 0.000 0.254 159 G HA3 -0.232 3.728 3.960 0.000 0.000 0.254 159 G C 0.124 174.928 174.900 -0.159 0.000 0.988 159 G CA 0.362 45.375 45.100 -0.144 0.000 0.625 159 G HN 0.673 nan 8.290 nan 0.000 0.527 160 V N 1.389 121.313 119.914 0.016 0.000 2.530 160 V HA 0.529 4.649 4.120 0.000 0.000 0.282 160 V C 0.819 176.910 176.094 -0.005 0.000 1.048 160 V CA -0.582 61.741 62.300 0.038 0.000 0.997 160 V CB 1.782 33.665 31.823 0.100 0.000 0.987 160 V HN 0.257 nan 8.190 nan 0.000 0.477 161 V N 6.956 126.862 119.914 -0.013 0.000 2.350 161 V HA 0.612 4.732 4.120 0.000 0.000 0.276 161 V C 0.210 176.308 176.094 0.006 0.000 1.028 161 V CA -0.419 61.870 62.300 -0.018 0.000 0.860 161 V CB 0.951 32.754 31.823 -0.033 0.000 0.990 161 V HN 1.078 nan 8.190 nan 0.000 0.453 162 R N 3.319 123.822 120.500 0.005 0.000 2.707 162 R HA 0.713 5.053 4.340 0.000 0.000 0.272 162 R C -1.006 175.286 176.300 -0.013 0.000 1.011 162 R CA -0.833 55.281 56.100 0.022 0.000 0.893 162 R CB 1.849 32.185 30.300 0.059 0.000 1.233 162 R HN 0.139 nan 8.270 nan 0.000 0.464 163 V N -0.319 119.586 119.914 -0.014 0.000 2.672 163 V HA 0.162 4.282 4.120 0.000 0.000 0.242 163 V C -0.173 175.761 176.094 -0.268 0.000 1.059 163 V CA 0.501 62.705 62.300 -0.159 0.000 1.081 163 V CB -0.039 31.686 31.823 -0.164 0.000 0.752 163 V HN 0.616 nan 8.190 nan 0.000 0.472 164 W N 1.180 122.498 121.300 0.030 0.000 2.282 164 W HA 0.419 5.079 4.660 0.000 0.000 0.322 164 W C -0.360 176.189 176.519 0.050 0.000 1.011 164 W CA -0.542 56.834 57.345 0.051 0.000 1.392 164 W CB 0.557 30.056 29.460 0.066 0.000 1.215 164 W HN -0.028 nan 8.180 nan 0.000 0.394 165 D N 4.305 124.833 120.400 0.213 0.000 2.422 165 D HA 0.239 4.879 4.640 0.000 0.000 0.227 165 D C -0.646 175.776 176.300 0.204 0.000 1.190 165 D CA 0.188 54.291 54.000 0.171 0.000 0.905 165 D CB 0.432 41.291 40.800 0.098 0.000 1.034 165 D HN 0.166 nan 8.370 nan 0.000 0.507 166 V N 1.050 121.084 119.914 0.200 0.000 3.007 166 V HA 0.441 4.561 4.120 0.000 0.000 0.311 166 V C 1.253 177.424 176.094 0.128 0.000 1.120 166 V CA -1.025 61.379 62.300 0.174 0.000 0.980 166 V CB 2.115 34.051 31.823 0.189 0.000 1.033 166 V HN 0.233 nan 8.190 nan 0.000 0.429 167 K N 1.248 121.712 120.400 0.107 0.000 2.057 167 K HA -0.010 4.310 4.320 0.000 0.000 0.206 167 K C 0.538 177.194 176.600 0.093 0.000 1.050 167 K CA 1.588 57.932 56.287 0.096 0.000 0.935 167 K CB 0.075 32.624 32.500 0.081 0.000 0.715 167 K HN 0.852 nan 8.250 nan 0.000 0.439 168 N N -0.539 118.207 118.700 0.077 0.000 2.491 168 N HA 0.203 4.943 4.740 0.000 0.000 0.274 168 N C -0.465 175.075 175.510 0.050 0.000 1.023 168 N CA -0.128 52.962 53.050 0.067 0.000 0.902 168 N CB 1.839 40.358 38.487 0.054 0.000 1.267 168 N HN 0.116 nan 8.380 nan 0.000 0.503 169 A N 2.914 125.768 122.820 0.058 0.000 2.167 169 A HA 0.027 4.347 4.320 0.000 0.000 0.214 169 A C 1.369 178.962 177.584 0.014 0.000 1.151 169 A CA 0.617 52.675 52.037 0.035 0.000 0.735 169 A CB -0.125 18.910 19.000 0.058 0.000 0.802 169 A HN 0.658 nan 8.150 nan 0.000 0.467 170 E N 0.445 120.662 120.200 0.027 0.000 2.265 170 E HA -0.115 4.235 4.350 0.000 0.000 0.196 170 E C 1.597 178.190 176.600 -0.011 0.000 0.996 170 E CA 0.601 57.011 56.400 0.016 0.000 0.832 170 E CB -0.433 29.282 29.700 0.026 0.000 0.756 170 E HN 0.704 nan 8.360 nan 0.000 0.491 171 L N 0.013 121.223 121.223 -0.022 0.000 2.465 171 L HA -0.051 4.289 4.340 0.000 0.000 0.224 171 L C 1.990 178.804 176.870 -0.093 0.000 1.145 171 L CA 0.285 55.095 54.840 -0.050 0.000 0.834 171 L CB -0.282 41.752 42.059 -0.041 0.000 0.944 171 L HN 0.100 nan 8.230 nan 0.000 0.451 172 L N -0.945 120.220 121.223 -0.098 0.000 2.395 172 L HA -0.020 4.320 4.340 0.000 0.000 0.218 172 L C 0.552 177.454 176.870 0.054 0.000 1.130 172 L CA -0.036 54.756 54.840 -0.080 0.000 0.826 172 L CB -0.529 41.433 42.059 -0.161 0.000 0.941 172 L HN 0.229 nan 8.230 nan 0.000 0.451 173 N N 2.203 120.910 118.700 0.012 0.000 2.359 173 N HA -0.084 4.656 4.740 0.000 0.000 0.261 173 N C 0.232 175.759 175.510 0.029 0.000 1.267 173 N CA 0.482 53.549 53.050 0.028 0.000 0.864 173 N CB -0.184 38.295 38.487 -0.013 0.000 1.063 173 N HN 0.167 nan 8.380 nan 0.000 0.474 174 N N 0.928 119.676 118.700 0.079 0.000 2.708 174 N HA -0.197 4.543 4.740 0.000 0.000 0.249 174 N C -0.335 175.179 175.510 0.006 0.000 1.097 174 N CA 0.439 53.526 53.050 0.063 0.000 0.710 174 N CB -0.502 37.995 38.487 0.016 0.000 1.032 174 N HN 0.643 nan 8.380 nan 0.000 0.551 175 Q N -1.130 118.659 119.800 -0.019 0.000 2.282 175 Q HA 0.253 4.593 4.340 0.000 0.000 0.206 175 Q C 0.770 176.436 176.000 -0.556 0.000 0.878 175 Q CA 0.295 55.896 55.803 -0.336 0.000 0.944 175 Q CB 0.161 28.569 28.738 -0.550 0.000 1.100 175 Q HN 0.530 nan 8.270 nan 0.000 0.509 176 F N -0.539 119.393 119.950 -0.030 0.000 2.729 176 F HA 0.336 4.863 4.527 0.000 0.000 0.315 176 F C 1.352 177.128 175.800 -0.041 0.000 1.102 176 F CA -0.661 57.331 58.000 -0.014 0.000 1.204 176 F CB 0.586 39.591 39.000 0.008 0.000 1.052 176 F HN -0.127 nan 8.300 nan 0.000 0.551 177 G N 1.062 109.907 108.800 0.073 0.000 2.544 177 G HA2 0.359 4.319 3.960 0.000 0.000 0.242 177 G HA3 0.359 4.319 3.960 0.000 0.000 0.242 177 G C 0.186 175.060 174.900 -0.043 0.000 1.247 177 G CA -0.123 44.995 45.100 0.030 0.000 0.840 177 G HN 0.138 nan 8.290 nan 0.000 0.578 178 T N -0.969 113.572 114.554 -0.021 0.000 2.918 178 T HA 0.704 5.054 4.350 0.000 0.000 0.283 178 T C 0.021 174.696 174.700 -0.041 0.000 1.001 178 T CA -0.668 61.396 62.100 -0.060 0.000 1.041 178 T CB 1.363 70.217 68.868 -0.023 0.000 1.028 178 T HN 0.374 nan 8.240 nan 0.000 0.511 179 M N 2.531 122.091 119.600 -0.066 0.000 2.322 179 M HA 0.296 4.776 4.480 0.000 0.000 0.286 179 M C -2.016 174.266 176.300 -0.030 0.000 1.111 179 M CA -2.212 53.063 55.300 -0.040 0.000 0.941 179 M CB 2.967 35.525 32.600 -0.070 0.000 1.671 179 M HN 0.380 nan 8.290 nan 0.000 0.470 180 P HA -0.188 nan 4.420 nan 0.000 0.216 180 P C 1.173 178.472 177.300 -0.002 0.000 1.157 180 P CA 1.957 65.056 63.100 -0.000 0.000 0.880 180 P CB -0.130 31.568 31.700 -0.004 0.000 0.791 181 S N -0.998 114.692 115.700 -0.016 0.000 2.406 181 S HA -0.097 4.373 4.470 0.000 0.000 0.228 181 S C 1.969 176.587 174.600 0.030 0.000 1.020 181 S CA 0.727 58.927 58.200 0.000 0.000 0.965 181 S CB -1.473 61.716 63.200 -0.018 0.000 0.798 181 S HN -0.018 nan 8.310 nan 0.000 0.488 182 L N 2.351 123.577 121.223 0.004 0.000 2.044 182 L HA 0.036 4.376 4.340 0.000 0.000 0.205 182 L C 2.447 179.345 176.870 0.046 0.000 1.075 182 L CA 2.069 56.916 54.840 0.011 0.000 0.747 182 L CB -1.507 40.493 42.059 -0.098 0.000 0.903 182 L HN 0.290 nan 8.230 nan 0.000 0.435 183 T N -0.033 114.530 114.554 0.016 0.000 2.708 183 T HA -0.188 4.162 4.350 0.000 0.000 0.266 183 T C 1.808 176.597 174.700 0.148 0.000 1.037 183 T CA 1.677 63.817 62.100 0.066 0.000 1.146 183 T CB -0.468 68.424 68.868 0.039 0.000 0.865 183 T HN 0.262 nan 8.240 nan 0.000 0.435 184 L N 1.543 122.823 121.223 0.096 0.000 2.012 184 L HA 0.004 4.344 4.340 0.000 0.000 0.210 184 L C 2.583 179.524 176.870 0.118 0.000 1.073 184 L CA 2.027 56.920 54.840 0.089 0.000 0.748 184 L CB -1.132 40.956 42.059 0.049 0.000 0.891 184 L HN 0.241 nan 8.230 nan 0.000 0.431 185 A N -1.826 121.086 122.820 0.154 0.000 1.930 185 A HA -0.182 4.138 4.320 0.000 0.000 0.217 185 A C 2.363 180.106 177.584 0.266 0.000 1.175 185 A CA 1.617 53.783 52.037 0.215 0.000 0.627 185 A CB -1.302 17.892 19.000 0.323 0.000 0.815 185 A HN 0.618 nan 8.150 nan 0.000 0.443 186 C N -0.960 118.552 119.300 0.354 0.000 2.476 186 C HA 0.061 4.521 4.460 0.000 0.000 0.278 186 C C 2.604 177.849 174.990 0.426 0.000 1.274 186 C CA 0.734 60.023 59.018 0.452 0.000 1.713 186 C CB -1.465 26.511 27.740 0.392 0.000 2.039 186 C HN 0.631 nan 8.230 nan 0.000 0.484 187 L N 0.661 122.140 121.223 0.426 0.000 1.990 187 L HA -0.239 4.101 4.340 0.000 0.000 0.213 187 L C 2.708 179.593 176.870 0.024 0.000 1.072 187 L CA 2.056 56.983 54.840 0.144 0.000 0.755 187 L CB -1.247 40.880 42.059 0.115 0.000 0.889 187 L HN 0.389 nan 8.230 nan 0.000 0.432 188 T N -0.726 113.845 114.554 0.028 0.000 2.580 188 T HA -0.273 4.077 4.350 0.000 0.000 0.265 188 T C 1.930 176.568 174.700 -0.103 0.000 1.063 188 T CA 1.957 64.035 62.100 -0.036 0.000 1.170 188 T CB -0.184 68.666 68.868 -0.031 0.000 0.863 188 T HN 0.091 nan 8.240 nan 0.000 0.418 189 K N 1.114 121.394 120.400 -0.201 0.000 2.031 189 K HA 0.041 4.361 4.320 0.000 0.000 0.205 189 K C 2.332 178.813 176.600 -0.199 0.000 1.049 189 K CA 1.428 57.493 56.287 -0.369 0.000 0.939 189 K CB -0.343 31.527 32.500 -1.049 0.000 0.717 189 K HN 0.368 nan 8.250 nan 0.000 0.438 190 Q N -1.207 118.550 119.800 -0.072 0.000 2.378 190 Q HA 0.075 4.415 4.340 0.000 0.000 0.205 190 Q C 1.570 177.548 176.000 -0.037 0.000 0.954 190 Q CA 1.072 56.891 55.803 0.027 0.000 0.901 190 Q CB 0.277 29.145 28.738 0.216 0.000 0.981 190 Q HN 0.479 nan 8.270 nan 0.000 0.483 191 G N -0.093 108.660 108.800 -0.079 0.000 2.986 191 G HA2 -0.059 3.901 3.960 0.000 0.000 0.213 191 G HA3 -0.059 3.901 3.960 0.000 0.000 0.213 191 G C -0.005 174.849 174.900 -0.077 0.000 1.156 191 G CA -0.304 44.730 45.100 -0.110 0.000 0.763 191 G HN 0.270 nan 8.290 nan 0.000 0.547 192 Q N -0.785 118.971 119.800 -0.072 0.000 2.452 192 Q HA -0.166 4.174 4.340 0.000 0.000 0.318 192 Q C -0.192 175.779 176.000 -0.050 0.000 1.386 192 Q CA 0.551 56.316 55.803 -0.062 0.000 0.872 192 Q CB -2.447 26.262 28.738 -0.049 0.000 1.151 192 Q HN 0.745 nan 8.270 nan 0.000 0.417 193 V N -3.524 116.361 119.914 -0.048 0.000 3.040 193 V HA 0.632 4.753 4.120 0.000 0.000 0.312 193 V C -0.096 175.981 176.094 -0.028 0.000 1.115 193 V CA -1.235 61.046 62.300 -0.031 0.000 0.998 193 V CB 2.338 34.147 31.823 -0.022 0.000 1.042 193 V HN 0.104 nan 8.190 nan 0.000 0.433 194 D N 1.547 121.937 120.400 -0.016 0.000 2.399 194 D HA 0.171 4.811 4.640 0.000 0.000 0.241 194 D C 0.889 177.184 176.300 -0.008 0.000 1.133 194 D CA 0.023 54.015 54.000 -0.012 0.000 0.890 194 D CB 1.425 42.222 40.800 -0.004 0.000 1.201 194 D HN 0.693 nan 8.370 nan 0.000 0.432 195 L N 2.724 123.943 121.223 -0.007 0.000 2.046 195 L HA -0.215 4.125 4.340 0.000 0.000 0.208 195 L C 1.650 178.521 176.870 0.002 0.000 1.077 195 L CA 1.828 56.667 54.840 -0.001 0.000 0.747 195 L CB -0.729 41.333 42.059 0.004 0.000 0.896 195 L HN 0.407 nan 8.230 nan 0.000 0.432 196 N N -0.312 118.390 118.700 0.004 0.000 2.094 196 N HA -0.250 4.490 4.740 0.000 0.000 0.191 196 N C 1.576 177.093 175.510 0.012 0.000 1.023 196 N CA 2.053 55.107 53.050 0.007 0.000 0.857 196 N CB -0.206 38.286 38.487 0.010 0.000 1.013 196 N HN 0.485 nan 8.380 nan 0.000 0.426 197 D N -0.520 119.892 120.400 0.019 0.000 2.183 197 D HA -0.030 4.610 4.640 0.000 0.000 0.203 197 D C 1.805 178.116 176.300 0.019 0.000 0.969 197 D CA 0.984 55.009 54.000 0.042 0.000 0.842 197 D CB -0.295 40.535 40.800 0.050 0.000 0.957 197 D HN 0.434 nan 8.370 nan 0.000 0.484 198 A N 1.171 123.991 122.820 -0.001 0.000 1.883 198 A HA -0.167 4.154 4.320 0.000 0.000 0.217 198 A C 2.434 179.991 177.584 -0.045 0.000 1.186 198 A CA 1.775 53.800 52.037 -0.020 0.000 0.624 198 A CB -0.961 18.037 19.000 -0.005 0.000 0.822 198 A HN 0.209 nan 8.150 nan 0.000 0.444 199 V N -0.463 119.433 119.914 -0.031 0.000 2.515 199 V HA -0.217 3.903 4.120 0.000 0.000 0.250 199 V C 2.199 178.250 176.094 -0.071 0.000 1.058 199 V CA 2.523 64.800 62.300 -0.038 0.000 1.064 199 V CB -0.659 31.154 31.823 -0.017 0.000 0.675 199 V HN 0.591 nan 8.190 nan 0.000 0.461 200 Q N 0.571 120.324 119.800 -0.077 0.000 2.119 200 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 200 Q C 2.453 178.235 176.000 -0.364 0.000 0.972 200 Q CA 1.935 57.671 55.803 -0.113 0.000 0.847 200 Q CB -0.791 27.956 28.738 0.014 0.000 0.903 200 Q HN 0.773 nan 8.270 nan 0.000 0.433 201 A N 0.913 123.412 122.820 -0.534 0.000 1.877 201 A HA -0.118 4.202 4.320 0.000 0.000 0.216 201 A C 2.241 179.620 177.584 -0.342 0.000 1.186 201 A CA 1.050 52.628 52.037 -0.765 0.000 0.620 201 A CB -0.695 18.066 19.000 -0.399 0.000 0.822 201 A HN 0.301 nan 8.150 nan 0.000 0.443 202 L N -0.804 120.305 121.223 -0.191 0.000 2.141 202 L HA -0.126 4.214 4.340 0.000 0.000 0.209 202 L C 2.741 179.558 176.870 -0.089 0.000 1.094 202 L CA 1.523 56.299 54.840 -0.107 0.000 0.763 202 L CB -0.727 41.297 42.059 -0.058 0.000 0.908 202 L HN 0.347 nan 8.230 nan 0.000 0.437 203 T N -0.873 113.623 114.554 -0.097 0.000 2.708 203 T HA -0.189 4.161 4.350 0.000 0.000 0.266 203 T C 1.451 176.119 174.700 -0.054 0.000 1.037 203 T CA 1.538 63.604 62.100 -0.057 0.000 1.146 203 T CB -0.217 68.624 68.868 -0.045 0.000 0.865 203 T HN 0.294 nan 8.240 nan 0.000 0.435 204 D N 0.804 121.145 120.400 -0.100 0.000 2.149 204 D HA -0.048 4.592 4.640 0.000 0.000 0.198 204 D C 2.017 178.293 176.300 -0.040 0.000 0.990 204 D CA 0.536 54.503 54.000 -0.054 0.000 0.839 204 D CB -0.418 40.355 40.800 -0.044 0.000 0.948 204 D HN 0.157 nan 8.370 nan 0.000 0.460 205 L N 0.903 122.084 121.223 -0.070 0.000 2.017 205 L HA -0.014 4.326 4.340 0.000 0.000 0.208 205 L C 2.267 179.123 176.870 -0.024 0.000 1.073 205 L CA 2.081 56.881 54.840 -0.067 0.000 0.745 205 L CB -1.050 40.950 42.059 -0.099 0.000 0.894 205 L HN 0.066 nan 8.230 nan 0.000 0.432 206 G N -0.584 108.219 108.800 0.005 0.000 2.442 206 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 206 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 206 G C 1.635 176.595 174.900 0.100 0.000 1.141 206 G CA 1.171 46.324 45.100 0.089 0.000 0.763 206 G HN 0.443 nan 8.290 nan 0.000 0.554 207 L N 0.194 121.445 121.223 0.046 0.000 2.046 207 L HA -0.070 4.270 4.340 0.000 0.000 0.208 207 L C 2.720 179.616 176.870 0.043 0.000 1.077 207 L CA 0.398 55.261 54.840 0.039 0.000 0.747 207 L CB -0.348 41.724 42.059 0.022 0.000 0.896 207 L HN 0.105 nan 8.230 nan 0.000 0.432 208 I N -0.976 119.613 120.570 0.031 0.000 2.286 208 I HA -0.307 3.863 4.170 0.000 0.000 0.248 208 I C 2.405 178.546 176.117 0.040 0.000 1.115 208 I CA 1.399 62.706 61.300 0.010 0.000 1.392 208 I CB -1.388 36.595 38.000 -0.028 0.000 1.065 208 I HN 0.227 nan 8.210 nan 0.000 0.418 209 Y N 2.427 122.672 120.300 -0.092 0.000 2.333 209 Y HA -0.247 4.303 4.550 -0.000 0.000 0.290 209 Y C 2.744 178.705 175.900 0.101 0.000 1.144 209 Y CA 1.617 59.679 58.100 -0.064 0.000 1.228 209 Y CB -0.763 37.650 38.460 -0.079 0.000 0.985 209 Y HN 0.396 nan 8.280 nan 0.000 0.542 210 T N -2.760 111.818 114.554 0.041 0.000 2.929 210 T HA -0.051 4.299 4.350 0.000 0.000 0.271 210 T C 1.765 176.562 174.700 0.161 0.000 1.085 210 T CA 1.163 63.283 62.100 0.032 0.000 1.125 210 T CB -0.441 68.442 68.868 0.025 0.000 0.874 210 T HN 0.300 nan 8.240 nan 0.000 0.494 211 A N 1.159 124.054 122.820 0.124 0.000 2.127 211 A HA 0.504 4.824 4.320 0.000 0.000 0.204 211 A C 0.745 178.265 177.584 -0.107 0.000 1.243 211 A CA 0.246 52.352 52.037 0.114 0.000 0.887 211 A CB 0.447 19.472 19.000 0.041 0.000 0.933 211 A HN 0.740 nan 8.150 nan 0.000 0.479 212 K N -2.493 117.578 120.400 -0.548 0.000 2.711 212 K HA 0.321 4.641 4.320 0.000 0.000 0.294 212 K C -1.689 174.455 176.600 -0.760 0.000 1.037 212 K CA -0.785 54.827 56.287 -1.124 0.000 0.858 212 K CB 0.534 32.776 32.500 -0.429 0.000 1.521 212 K HN -0.046 nan 8.250 nan 0.000 0.386 213 Y N 1.977 121.876 120.300 -0.668 0.000 2.393 213 Y HA 0.283 4.833 4.550 0.000 0.000 0.338 213 Y C -2.185 173.641 175.900 -0.124 0.000 1.029 213 Y CA -1.510 56.494 58.100 -0.161 0.000 1.239 213 Y CB 1.082 39.522 38.460 -0.033 0.000 1.170 213 Y HN 0.395 nan 8.280 nan 0.000 0.515 214 P HA 0.012 nan 4.420 nan 0.000 0.266 214 P C -1.137 176.137 177.300 -0.043 0.000 1.215 214 P CA 0.076 63.055 63.100 -0.202 0.000 0.763 214 P CB 0.311 31.834 31.700 -0.295 0.000 0.806 215 N N 0.906 119.612 118.700 0.010 0.000 2.405 215 N HA 0.089 4.829 4.740 0.000 0.000 0.269 215 N C 1.188 176.708 175.510 0.016 0.000 1.249 215 N CA -0.276 52.800 53.050 0.043 0.000 0.974 215 N CB -0.864 37.643 38.487 0.033 0.000 1.204 215 N HN 0.317 nan 8.380 nan 0.000 0.565 216 T N -3.747 110.821 114.554 0.023 0.000 2.833 216 T HA -0.201 4.149 4.350 0.000 0.000 0.269 216 T C 1.776 176.479 174.700 0.005 0.000 1.054 216 T CA 1.546 63.654 62.100 0.014 0.000 1.135 216 T CB -0.953 67.925 68.868 0.017 0.000 0.869 216 T HN 0.622 nan 8.240 nan 0.000 0.466 217 S N 1.808 117.511 115.700 0.004 0.000 2.383 217 S HA -0.150 4.320 4.470 0.000 0.000 0.227 217 S C 1.704 176.302 174.600 -0.003 0.000 1.026 217 S CA 1.148 59.349 58.200 0.001 0.000 0.981 217 S CB -0.609 62.592 63.200 0.001 0.000 0.818 217 S HN 0.541 nan 8.310 nan 0.000 0.472 218 D N 1.685 122.080 120.400 -0.009 0.000 2.084 218 D HA -0.052 4.588 4.640 0.000 0.000 0.196 218 D C 2.017 178.309 176.300 -0.013 0.000 0.985 218 D CA 1.143 55.134 54.000 -0.015 0.000 0.826 218 D CB -0.719 40.062 40.800 -0.031 0.000 0.978 218 D HN 0.393 nan 8.370 nan 0.000 0.456 219 L N 1.673 122.885 121.223 -0.018 0.000 2.013 219 L HA -0.210 4.130 4.340 0.000 0.000 0.212 219 L C 1.488 178.358 176.870 -0.001 0.000 1.073 219 L CA 1.938 56.770 54.840 -0.014 0.000 0.753 219 L CB -0.578 41.471 42.059 -0.016 0.000 0.890 219 L HN -0.160 nan 8.230 nan 0.000 0.432 220 D N -0.961 119.439 120.400 -0.000 0.000 2.117 220 D HA -0.147 4.493 4.640 0.000 0.000 0.197 220 D C 2.278 178.580 176.300 0.003 0.000 0.987 220 D CA 0.770 54.771 54.000 0.002 0.000 0.829 220 D CB -0.123 40.678 40.800 0.001 0.000 0.961 220 D HN 0.223 nan 8.370 nan 0.000 0.460 221 R N 0.493 120.994 120.500 0.003 0.000 2.080 221 R HA -0.058 4.282 4.340 0.000 0.000 0.236 221 R C 2.604 178.913 176.300 0.014 0.000 1.137 221 R CA 0.493 56.596 56.100 0.004 0.000 0.943 221 R CB -1.277 29.025 30.300 0.003 0.000 0.846 221 R HN 0.309 nan 8.270 nan 0.000 0.431 222 L N 0.399 121.639 121.223 0.028 0.000 2.127 222 L HA -0.169 4.171 4.340 0.000 0.000 0.211 222 L C 2.140 179.061 176.870 0.085 0.000 1.089 222 L CA 1.644 56.526 54.840 0.070 0.000 0.757 222 L CB -0.748 41.345 42.059 0.057 0.000 0.899 222 L HN 0.194 nan 8.230 nan 0.000 0.434 223 T N -1.601 112.978 114.554 0.042 0.000 2.951 223 T HA -0.121 4.229 4.350 0.000 0.000 0.268 223 T C 1.878 176.581 174.700 0.005 0.000 1.073 223 T CA 0.557 62.677 62.100 0.034 0.000 1.134 223 T CB -0.076 68.799 68.868 0.012 0.000 0.884 223 T HN 0.297 nan 8.240 nan 0.000 0.479 224 Q N 1.599 121.392 119.800 -0.011 0.000 2.096 224 Q HA -0.134 4.206 4.340 0.000 0.000 0.208 224 Q C 2.589 178.545 176.000 -0.073 0.000 0.993 224 Q CA 2.072 57.855 55.803 -0.035 0.000 0.862 224 Q CB -0.494 28.226 28.738 -0.031 0.000 0.915 224 Q HN 0.718 nan 8.270 nan 0.000 0.416 225 S N -1.293 114.331 115.700 -0.127 0.000 2.523 225 S HA 0.050 4.520 4.470 0.000 0.000 0.217 225 S C 0.476 174.787 174.600 -0.481 0.000 0.996 225 S CA -0.426 57.608 58.200 -0.276 0.000 0.921 225 S CB 0.243 63.251 63.200 -0.320 0.000 0.829 225 S HN 0.252 nan 8.310 nan 0.000 0.495 226 H N 1.697 120.754 119.070 -0.021 0.000 2.530 226 H HA 0.362 4.918 4.556 0.000 0.000 0.246 226 H C -2.365 172.944 175.328 -0.031 0.000 1.346 226 H CA -1.797 54.236 56.048 -0.025 0.000 1.424 226 H CB 1.300 31.049 29.762 -0.023 0.000 1.445 226 H HN 0.175 nan 8.280 nan 0.000 0.511 227 P HA -0.188 nan 4.420 nan 0.000 0.217 227 P C 1.750 179.047 177.300 -0.006 0.000 1.151 227 P CA 0.782 63.883 63.100 0.003 0.000 0.849 227 P CB 0.385 32.079 31.700 -0.011 0.000 0.787 228 I N -1.238 119.335 120.570 0.006 0.000 2.454 228 I HA -0.164 4.006 4.170 0.000 0.000 0.254 228 I C 1.748 177.830 176.117 -0.059 0.000 1.156 228 I CA 1.355 62.633 61.300 -0.038 0.000 1.433 228 I CB -0.728 37.256 38.000 -0.026 0.000 1.082 228 I HN -0.143 nan 8.210 nan 0.000 0.432 229 L N 0.110 121.322 121.223 -0.018 0.000 2.376 229 L HA -0.080 4.260 4.340 0.000 0.000 0.219 229 L C 1.774 178.624 176.870 -0.032 0.000 1.133 229 L CA 0.411 55.237 54.840 -0.023 0.000 0.816 229 L CB -0.920 41.141 42.059 0.005 0.000 0.933 229 L HN 0.247 nan 8.230 nan 0.000 0.449 230 N N 0.377 119.055 118.700 -0.036 0.000 2.519 230 N HA -0.125 4.615 4.740 0.000 0.000 0.186 230 N C 1.689 177.160 175.510 -0.064 0.000 1.062 230 N CA 1.020 54.047 53.050 -0.039 0.000 0.910 230 N CB -0.039 38.428 38.487 -0.034 0.000 0.958 230 N HN 0.402 nan 8.380 nan 0.000 0.445 231 M N -0.136 119.392 119.600 -0.121 0.000 2.557 231 M HA 0.031 4.511 4.480 0.000 0.000 0.259 231 M C 0.219 176.454 176.300 -0.108 0.000 1.086 231 M CA 0.512 55.685 55.300 -0.212 0.000 1.096 231 M CB 0.060 32.373 32.600 -0.479 0.000 1.424 231 M HN -0.050 nan 8.290 nan 0.000 0.488 232 I N 1.152 121.704 120.570 -0.029 0.000 2.396 232 I HA 0.020 4.190 4.170 0.000 0.000 0.289 232 I C 0.229 176.377 176.117 0.052 0.000 1.056 232 I CA -0.288 61.042 61.300 0.050 0.000 1.365 232 I CB 0.412 38.436 38.000 0.040 0.000 1.407 232 I HN -0.078 nan 8.210 nan 0.000 0.509 233 D N 4.725 125.177 120.400 0.087 0.000 2.317 233 D HA 0.033 4.673 4.640 0.000 0.000 0.252 233 D C 0.920 177.258 176.300 0.062 0.000 1.174 233 D CA 0.120 54.161 54.000 0.069 0.000 0.866 233 D CB 1.443 42.293 40.800 0.083 0.000 1.127 233 D HN 0.620 nan 8.370 nan 0.000 0.467 234 T N 1.041 115.623 114.554 0.046 0.000 3.069 234 T HA 0.016 4.366 4.350 0.000 0.000 0.252 234 T C 1.273 175.999 174.700 0.042 0.000 1.053 234 T CA 0.301 62.428 62.100 0.044 0.000 0.964 234 T CB 0.102 68.991 68.868 0.034 0.000 1.005 234 T HN 0.490 nan 8.240 nan 0.000 0.532 235 K N 0.451 120.873 120.400 0.037 0.000 2.361 235 K HA 0.298 4.618 4.320 0.000 0.000 0.194 235 K C 0.357 176.973 176.600 0.027 0.000 1.032 235 K CA -0.243 56.061 56.287 0.028 0.000 1.048 235 K CB 0.300 32.813 32.500 0.022 0.000 0.842 235 K HN 0.150 nan 8.250 nan 0.000 0.526 236 K N 2.118 122.539 120.400 0.035 0.000 2.159 236 K HA 0.169 4.489 4.320 0.000 0.000 0.266 236 K C -0.184 176.437 176.600 0.034 0.000 0.975 236 K CA -0.627 55.679 56.287 0.032 0.000 0.865 236 K CB 1.901 34.425 32.500 0.039 0.000 1.087 236 K HN 0.195 nan 8.250 nan 0.000 0.446 237 S N 0.247 115.960 115.700 0.022 0.000 2.632 237 S HA 0.015 4.485 4.470 0.000 0.000 0.267 237 S C 1.153 175.767 174.600 0.023 0.000 1.193 237 S CA -0.268 57.942 58.200 0.017 0.000 1.003 237 S CB 1.071 64.270 63.200 -0.003 0.000 1.073 237 S HN 0.604 nan 8.310 nan 0.000 0.553 238 S N -0.464 115.247 115.700 0.018 0.000 2.720 238 S HA 0.182 4.653 4.470 0.000 0.000 0.222 238 S C 0.255 174.858 174.600 0.005 0.000 0.958 238 S CA -0.610 57.604 58.200 0.022 0.000 0.943 238 S CB -1.287 61.929 63.200 0.027 0.000 0.779 238 S HN 0.518 nan 8.310 nan 0.000 0.526 239 L N 1.889 123.109 121.223 -0.005 0.000 2.326 239 L HA 0.404 4.744 4.340 0.000 0.000 0.278 239 L C 0.856 177.715 176.870 -0.017 0.000 1.092 239 L CA -0.669 54.156 54.840 -0.025 0.000 0.810 239 L CB 0.041 42.084 42.059 -0.028 0.000 1.153 239 L HN 0.195 nan 8.230 nan 0.000 0.439 240 N N 2.240 120.911 118.700 -0.047 0.000 2.727 240 N HA -0.223 4.518 4.740 0.000 0.000 0.249 240 N C -0.983 174.554 175.510 0.045 0.000 1.048 240 N CA 1.159 54.195 53.050 -0.025 0.000 0.714 240 N CB -0.802 37.680 38.487 -0.010 0.000 0.959 240 N HN 0.675 nan 8.380 nan 0.000 0.544 241 I N -3.745 116.868 120.570 0.072 0.000 3.074 241 I HA 0.753 4.923 4.170 0.000 0.000 0.310 241 I C 0.273 176.543 176.117 0.255 0.000 1.153 241 I CA -0.715 60.672 61.300 0.145 0.000 0.993 241 I CB 2.147 40.202 38.000 0.091 0.000 1.237 241 I HN 0.090 nan 8.210 nan 0.000 0.443 242 S N 1.819 117.672 115.700 0.255 0.000 2.766 242 S HA 0.646 5.116 4.470 0.000 0.000 0.307 242 S C 1.001 175.610 174.600 0.014 0.000 1.121 242 S CA -0.184 58.166 58.200 0.251 0.000 0.980 242 S CB 0.999 64.398 63.200 0.333 0.000 1.159 242 S HN 1.143 nan 8.310 nan 0.000 0.546 243 G N -0.576 108.120 108.800 -0.173 0.000 2.509 243 G HA2 -0.041 3.919 3.960 0.000 0.000 0.218 243 G HA3 -0.041 3.919 3.960 0.000 0.000 0.218 243 G C 0.549 175.106 174.900 -0.571 0.000 1.124 243 G CA 0.458 45.325 45.100 -0.390 0.000 0.776 243 G HN 0.736 nan 8.290 nan 0.000 0.547 244 Y N 0.411 120.637 120.300 -0.123 0.000 2.511 244 Y HA 0.186 4.736 4.550 0.000 0.000 0.279 244 Y C 1.025 176.697 175.900 -0.380 0.000 1.157 244 Y CA -0.548 57.425 58.100 -0.210 0.000 1.300 244 Y CB -0.249 38.143 38.460 -0.113 0.000 1.052 244 Y HN 0.123 nan 8.280 nan 0.000 0.529 245 N N -0.441 118.139 118.700 -0.200 0.000 2.495 245 N HA 0.267 5.007 4.740 0.000 0.000 0.280 245 N C -1.342 173.971 175.510 -0.328 0.000 1.168 245 N CA -0.558 52.358 53.050 -0.223 0.000 0.978 245 N CB 0.501 38.989 38.487 0.003 0.000 1.191 245 N HN -0.124 nan 8.380 nan 0.000 0.497 246 F N 0.685 120.675 119.950 0.067 0.000 2.441 246 F HA 0.244 4.772 4.527 0.000 0.000 0.337 246 F C 0.620 176.442 175.800 0.037 0.000 1.182 246 F CA -0.854 57.174 58.000 0.046 0.000 1.279 246 F CB -0.400 38.627 39.000 0.044 0.000 1.614 246 F HN 0.310 nan 8.300 nan 0.000 0.574 247 S N 0.378 116.158 115.700 0.134 0.000 2.601 247 S HA 0.214 4.684 4.470 0.000 0.000 0.271 247 S C 1.156 175.812 174.600 0.093 0.000 1.305 247 S CA -0.848 57.414 58.200 0.103 0.000 1.022 247 S CB 1.437 64.680 63.200 0.071 0.000 0.940 247 S HN 0.553 nan 8.310 nan 0.000 0.525 248 L N 2.882 124.153 121.223 0.080 0.000 2.079 248 L HA 0.113 4.453 4.340 0.000 0.000 0.210 248 L C 2.287 179.181 176.870 0.041 0.000 1.081 248 L CA 2.427 57.299 54.840 0.053 0.000 0.752 248 L CB -1.409 40.687 42.059 0.062 0.000 0.896 248 L HN 0.960 nan 8.230 nan 0.000 0.433 249 G N -0.902 107.953 108.800 0.091 0.000 2.469 249 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 249 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 249 G C 1.584 176.511 174.900 0.045 0.000 1.150 249 G CA 0.910 46.069 45.100 0.100 0.000 0.763 249 G HN 0.668 nan 8.290 nan 0.000 0.561 250 A N 0.993 123.837 122.820 0.040 0.000 1.898 250 A HA 0.365 4.685 4.320 0.000 0.000 0.216 250 A C 2.818 180.410 177.584 0.015 0.000 1.181 250 A CA 2.090 54.142 52.037 0.026 0.000 0.620 250 A CB -0.734 18.274 19.000 0.013 0.000 0.819 250 A HN 0.766 nan 8.150 nan 0.000 0.442 251 A N -0.550 122.280 122.820 0.017 0.000 1.902 251 A HA 0.004 4.324 4.320 0.000 0.000 0.217 251 A C 2.223 179.759 177.584 -0.080 0.000 1.181 251 A CA 1.729 53.762 52.037 -0.007 0.000 0.623 251 A CB -0.952 18.050 19.000 0.005 0.000 0.818 251 A HN 0.361 nan 8.150 nan 0.000 0.443 252 V N 0.421 120.238 119.914 -0.162 0.000 2.343 252 V HA -0.287 3.833 4.120 0.000 0.000 0.247 252 V C 2.579 178.527 176.094 -0.242 0.000 1.051 252 V CA 2.431 64.523 62.300 -0.347 0.000 1.036 252 V CB -0.610 30.817 31.823 -0.660 0.000 0.654 252 V HN 0.708 nan 8.190 nan 0.000 0.451 253 K N 0.113 120.451 120.400 -0.103 0.000 2.057 253 K HA -0.190 4.130 4.320 0.000 0.000 0.207 253 K C 2.134 178.747 176.600 0.023 0.000 1.049 253 K CA 1.670 57.961 56.287 0.007 0.000 0.931 253 K CB -0.275 32.264 32.500 0.066 0.000 0.714 253 K HN 0.438 nan 8.250 nan 0.000 0.440 254 A N 0.672 123.494 122.820 0.004 0.000 1.897 254 A HA -0.010 4.310 4.320 0.000 0.000 0.215 254 A C 2.369 179.957 177.584 0.008 0.000 1.181 254 A CA 1.616 53.659 52.037 0.011 0.000 0.620 254 A CB -1.067 17.940 19.000 0.012 0.000 0.821 254 A HN 0.536 nan 8.150 nan 0.000 0.443 255 G N -0.293 108.501 108.800 -0.010 0.000 2.442 255 G HA2 -0.011 3.949 3.960 0.000 0.000 0.219 255 G HA3 -0.011 3.949 3.960 0.000 0.000 0.219 255 G C 1.646 176.576 174.900 0.050 0.000 1.141 255 G CA 1.299 46.398 45.100 -0.002 0.000 0.763 255 G HN 0.825 nan 8.290 nan 0.000 0.554 256 A N -0.424 122.454 122.820 0.097 0.000 2.125 256 A HA -0.023 4.297 4.320 0.000 0.000 0.219 256 A C 2.239 179.873 177.584 0.084 0.000 1.156 256 A CA 1.542 53.674 52.037 0.158 0.000 0.671 256 A CB -0.640 18.512 19.000 0.253 0.000 0.794 256 A HN 0.424 nan 8.150 nan 0.000 0.459 257 C N -0.719 118.613 119.300 0.054 0.000 2.696 257 C HA 0.209 4.669 4.460 0.000 0.000 0.264 257 C C 1.911 176.914 174.990 0.020 0.000 1.288 257 C CA 0.035 59.073 59.018 0.034 0.000 1.717 257 C CB -0.848 26.903 27.740 0.018 0.000 1.893 257 C HN 0.562 nan 8.230 nan 0.000 0.577 258 M N 0.554 120.166 119.600 0.021 0.000 2.453 258 M HA 0.314 4.794 4.480 0.000 0.000 0.239 258 M C -0.078 176.230 176.300 0.014 0.000 1.151 258 M CA 0.754 56.060 55.300 0.010 0.000 0.989 258 M CB -0.688 31.912 32.600 -0.000 0.000 1.548 258 M HN 0.262 nan 8.290 nan 0.000 0.479 259 L N 0.035 121.271 121.223 0.022 0.000 2.334 259 L HA 0.473 4.813 4.340 0.000 0.000 0.273 259 L C -0.552 176.330 176.870 0.020 0.000 1.013 259 L CA -0.898 53.955 54.840 0.022 0.000 0.816 259 L CB 1.479 43.555 42.059 0.028 0.000 1.278 259 L HN -0.094 nan 8.230 nan 0.000 0.431 260 D N 2.163 122.573 120.400 0.017 0.000 2.373 260 D HA 0.510 5.150 4.640 0.000 0.000 0.227 260 D C 0.590 176.899 176.300 0.015 0.000 1.091 260 D CA 0.561 54.571 54.000 0.016 0.000 0.840 260 D CB 1.514 42.322 40.800 0.013 0.000 1.060 260 D HN 0.798 nan 8.370 nan 0.000 0.502 261 G N 1.679 110.489 108.800 0.016 0.000 2.645 261 G HA2 0.167 4.127 3.960 0.000 0.000 0.239 261 G HA3 0.167 4.127 3.960 0.000 0.000 0.239 261 G C 0.789 175.695 174.900 0.009 0.000 1.331 261 G CA 0.106 45.213 45.100 0.012 0.000 0.890 261 G HN 1.367 nan 8.290 nan 0.000 0.572 262 G N -1.307 107.495 108.800 0.002 0.000 2.175 262 G HA2 -0.091 3.869 3.960 0.000 0.000 0.244 262 G HA3 -0.091 3.869 3.960 0.000 0.000 0.244 262 G C 0.695 175.583 174.900 -0.021 0.000 0.982 262 G CA 0.994 46.090 45.100 -0.007 0.000 0.641 262 G HN 2.461 nan 8.290 nan 0.000 0.527 263 N N -0.633 118.060 118.700 -0.011 0.000 2.716 263 N HA -0.160 4.580 4.740 0.000 0.000 0.250 263 N C 0.590 176.081 175.510 -0.032 0.000 1.033 263 N CA 1.626 54.669 53.050 -0.012 0.000 0.727 263 N CB -0.818 37.659 38.487 -0.017 0.000 0.950 263 N HN 0.562 nan 8.380 nan 0.000 0.541 264 M N 0.846 120.428 119.600 -0.030 0.000 2.303 264 M HA 0.022 4.502 4.480 0.000 0.000 0.350 264 M C 1.956 178.219 176.300 -0.062 0.000 1.518 264 M CA 0.200 55.468 55.300 -0.053 0.000 1.070 264 M CB 0.083 32.682 32.600 -0.000 0.000 1.910 264 M HN 0.174 nan 8.290 nan 0.000 0.458 265 L N 2.144 123.289 121.223 -0.131 0.000 2.187 265 L HA -0.236 4.104 4.340 0.000 0.000 0.213 265 L C 1.640 178.279 176.870 -0.385 0.000 1.100 265 L CA 1.119 55.829 54.840 -0.218 0.000 0.765 265 L CB -0.468 41.415 42.059 -0.294 0.000 0.904 265 L HN 0.627 nan 8.230 nan 0.000 0.437 266 E N -0.333 119.652 120.200 -0.359 0.000 2.209 266 E HA -0.190 4.160 4.350 0.000 0.000 0.196 266 E C 2.027 178.670 176.600 0.071 0.000 0.993 266 E CA 1.674 57.959 56.400 -0.191 0.000 0.819 266 E CB -0.281 29.411 29.700 -0.015 0.000 0.745 266 E HN 0.520 nan 8.360 nan 0.000 0.477 267 T N -1.945 112.659 114.554 0.083 0.000 3.107 267 T HA 0.173 4.523 4.350 0.000 0.000 0.249 267 T C 0.752 175.603 174.700 0.251 0.000 1.096 267 T CA -0.304 61.902 62.100 0.177 0.000 1.012 267 T CB -0.265 68.679 68.868 0.127 0.000 0.977 267 T HN -0.043 nan 8.240 nan 0.000 0.527 268 I N 2.128 122.828 120.570 0.217 0.000 2.710 268 I HA 0.123 4.293 4.170 0.000 0.000 0.286 268 I C 0.573 176.792 176.117 0.171 0.000 1.181 268 I CA 0.266 61.688 61.300 0.203 0.000 1.430 268 I CB 0.537 38.653 38.000 0.193 0.000 1.367 268 I HN 0.145 nan 8.210 nan 0.000 0.577 269 K N 5.602 126.024 120.400 0.038 0.000 2.244 269 K HA 0.551 4.872 4.320 0.000 0.000 0.260 269 K C -1.296 175.199 176.600 -0.174 0.000 0.951 269 K CA -0.545 55.592 56.287 -0.250 0.000 0.826 269 K CB 2.307 34.579 32.500 -0.379 0.000 1.108 269 K HN 0.369 nan 8.250 nan 0.000 0.433 270 V N 2.763 122.532 119.914 -0.241 0.000 2.628 270 V HA 0.611 4.731 4.120 0.000 0.000 0.306 270 V C -0.909 175.065 176.094 -0.200 0.000 1.045 270 V CA -0.165 62.024 62.300 -0.185 0.000 0.905 270 V CB 1.849 33.578 31.823 -0.156 0.000 0.997 270 V HN 0.971 nan 8.190 nan 0.000 0.436 271 S N 4.916 120.530 115.700 -0.143 0.000 2.627 271 S HA 0.676 5.146 4.470 0.000 0.000 0.283 271 S C -2.480 172.067 174.600 -0.089 0.000 1.127 271 S CA -1.306 56.821 58.200 -0.122 0.000 0.863 271 S CB 1.885 65.022 63.200 -0.104 0.000 1.121 271 S HN 0.472 nan 8.310 nan 0.000 0.479 272 P HA -0.096 nan 4.420 nan 0.000 0.218 272 P C 1.261 178.535 177.300 -0.043 0.000 1.146 272 P CA 1.180 64.245 63.100 -0.058 0.000 0.813 272 P CB 0.063 31.733 31.700 -0.050 0.000 0.778 273 Q N -1.235 118.544 119.800 -0.036 0.000 2.230 273 Q HA -0.042 4.298 4.340 0.000 0.000 0.202 273 Q C 1.809 177.809 176.000 -0.001 0.000 0.963 273 Q CA 1.962 57.756 55.803 -0.015 0.000 0.866 273 Q CB -0.929 27.804 28.738 -0.008 0.000 0.931 273 Q HN 0.402 nan 8.270 nan 0.000 0.452 274 T N -3.715 110.832 114.554 -0.011 0.000 2.985 274 T HA 0.189 4.539 4.350 0.000 0.000 0.254 274 T C 1.684 176.327 174.700 -0.095 0.000 1.021 274 T CA -0.132 61.974 62.100 0.011 0.000 0.957 274 T CB 0.062 68.990 68.868 0.101 0.000 1.047 274 T HN -0.010 nan 8.240 nan 0.000 0.511 275 M N 1.810 121.349 119.600 -0.101 0.000 2.082 275 M HA -0.165 4.315 4.480 0.000 0.000 0.258 275 M C 1.307 177.544 176.300 -0.105 0.000 1.069 275 M CA 2.166 57.392 55.300 -0.124 0.000 1.102 275 M CB -0.300 32.242 32.600 -0.096 0.000 1.336 275 M HN 0.098 nan 8.290 nan 0.000 0.404 276 D N -0.156 120.207 120.400 -0.063 0.000 2.117 276 D HA -0.102 4.539 4.640 0.000 0.000 0.197 276 D C 1.857 178.137 176.300 -0.033 0.000 0.987 276 D CA 1.641 55.618 54.000 -0.039 0.000 0.829 276 D CB -0.668 40.120 40.800 -0.019 0.000 0.961 276 D HN 0.588 nan 8.370 nan 0.000 0.460 277 G N 0.537 109.323 108.800 -0.023 0.000 2.402 277 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 277 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 277 G C 1.793 176.663 174.900 -0.049 0.000 1.162 277 G CA 0.314 45.431 45.100 0.028 0.000 0.777 277 G HN 0.262 nan 8.290 nan 0.000 0.539 278 I N 0.420 120.820 120.570 -0.284 0.000 2.179 278 I HA -0.157 4.013 4.170 0.000 0.000 0.242 278 I C 2.706 178.738 176.117 -0.142 0.000 1.088 278 I CA 0.762 61.826 61.300 -0.394 0.000 1.357 278 I CB -0.257 37.409 38.000 -0.557 0.000 1.051 278 I HN 0.110 nan 8.210 nan 0.000 0.409 279 L N 0.423 121.589 121.223 -0.094 0.000 2.042 279 L HA -0.240 4.100 4.340 0.000 0.000 0.210 279 L C 2.602 179.470 176.870 -0.004 0.000 1.076 279 L CA 1.290 56.114 54.840 -0.028 0.000 0.749 279 L CB -0.570 41.476 42.059 -0.021 0.000 0.893 279 L HN 0.171 nan 8.230 nan 0.000 0.432 280 K N 0.132 120.527 120.400 -0.008 0.000 2.063 280 K HA -0.134 4.186 4.320 0.000 0.000 0.208 280 K C 2.162 178.767 176.600 0.010 0.000 1.048 280 K CA 1.841 58.131 56.287 0.006 0.000 0.928 280 K CB -0.269 32.240 32.500 0.015 0.000 0.713 280 K HN 0.087 nan 8.250 nan 0.000 0.442 281 S N 0.223 115.936 115.700 0.022 0.000 2.383 281 S HA -0.029 4.441 4.470 0.000 0.000 0.227 281 S C 1.882 176.488 174.600 0.010 0.000 1.026 281 S CA 1.265 59.486 58.200 0.035 0.000 0.981 281 S CB -0.286 62.968 63.200 0.091 0.000 0.818 281 S HN 0.269 nan 8.310 nan 0.000 0.472 282 I N 1.300 121.878 120.570 0.013 0.000 2.286 282 I HA -0.188 3.982 4.170 0.000 0.000 0.248 282 I C 1.994 178.084 176.117 -0.044 0.000 1.115 282 I CA 1.076 62.389 61.300 0.021 0.000 1.392 282 I CB -0.260 37.798 38.000 0.097 0.000 1.065 282 I HN 0.241 nan 8.210 nan 0.000 0.418 283 L N 0.373 121.578 121.223 -0.030 0.000 2.056 283 L HA -0.220 4.120 4.340 0.000 0.000 0.207 283 L C 2.599 179.410 176.870 -0.098 0.000 1.078 283 L CA 1.256 56.054 54.840 -0.070 0.000 0.749 283 L CB -0.562 41.484 42.059 -0.022 0.000 0.901 283 L HN 0.207 nan 8.230 nan 0.000 0.433 284 K N 0.279 120.641 120.400 -0.064 0.000 2.044 284 K HA -0.206 4.114 4.320 0.000 0.000 0.210 284 K C 1.947 178.488 176.600 -0.099 0.000 1.049 284 K CA 1.946 58.196 56.287 -0.063 0.000 0.927 284 K CB -0.081 32.401 32.500 -0.032 0.000 0.713 284 K HN 0.097 nan 8.250 nan 0.000 0.443 285 V N 1.559 121.403 119.914 -0.117 0.000 2.358 285 V HA -0.231 3.889 4.120 0.000 0.000 0.246 285 V C 2.486 178.409 176.094 -0.287 0.000 1.047 285 V CA 2.061 64.261 62.300 -0.167 0.000 1.035 285 V CB -0.559 31.179 31.823 -0.141 0.000 0.658 285 V HN 0.427 nan 8.190 nan 0.000 0.452 286 K N 0.407 120.585 120.400 -0.371 0.000 2.032 286 K HA -0.275 4.045 4.320 0.000 0.000 0.209 286 K C 2.347 178.740 176.600 -0.345 0.000 1.048 286 K CA 2.012 57.981 56.287 -0.529 0.000 0.927 286 K CB -0.188 31.932 32.500 -0.633 0.000 0.712 286 K HN 0.367 nan 8.250 nan 0.000 0.441 287 K N -0.050 120.216 120.400 -0.222 0.000 2.026 287 K HA -0.131 4.189 4.320 0.000 0.000 0.208 287 K C 2.018 178.542 176.600 -0.127 0.000 1.048 287 K CA 1.248 57.449 56.287 -0.143 0.000 0.929 287 K CB -0.185 32.257 32.500 -0.097 0.000 0.713 287 K HN 0.236 nan 8.250 nan 0.000 0.439 288 A N 1.036 123.778 122.820 -0.130 0.000 1.940 288 A HA -0.117 4.203 4.320 0.000 0.000 0.219 288 A C 1.895 179.416 177.584 -0.105 0.000 1.176 288 A CA 1.391 53.368 52.037 -0.100 0.000 0.631 288 A CB -0.324 18.623 19.000 -0.088 0.000 0.814 288 A HN 0.347 nan 8.150 nan 0.000 0.446 289 L N -2.133 118.981 121.223 -0.181 0.000 2.664 289 L HA 0.299 4.639 4.340 0.000 0.000 0.233 289 L C 1.388 178.173 176.870 -0.141 0.000 1.113 289 L CA 0.389 55.130 54.840 -0.164 0.000 0.896 289 L CB -0.234 41.665 42.059 -0.267 0.000 1.163 289 L HN 0.531 nan 8.230 nan 0.000 0.497 290 G N 1.649 110.341 108.800 -0.179 0.000 2.272 290 G HA2 -0.279 3.681 3.960 0.000 0.000 0.280 290 G HA3 -0.279 3.681 3.960 0.000 0.000 0.280 290 G C 0.240 175.054 174.900 -0.143 0.000 1.067 290 G CA -0.018 45.024 45.100 -0.097 0.000 0.902 290 G HN 0.226 nan 8.290 nan 0.000 0.500 291 M N -0.861 118.367 119.600 -0.620 0.000 2.250 291 M HA 0.551 5.031 4.480 0.000 0.000 0.325 291 M C 0.660 176.765 176.300 -0.324 0.000 1.084 291 M CA 0.510 55.142 55.300 -1.114 0.000 1.161 291 M CB 0.228 31.869 32.600 -1.598 0.000 1.481 291 M HN 0.597 nan 8.290 nan 0.000 0.449 292 F N -0.372 119.546 119.950 -0.054 0.000 2.686 292 F HA 0.660 5.188 4.527 0.000 0.000 0.311 292 F C -1.420 174.652 175.800 0.454 0.000 1.128 292 F CA -1.591 56.549 58.000 0.234 0.000 0.946 292 F CB 0.775 39.881 39.000 0.176 0.000 1.336 292 F HN 0.201 nan 8.300 nan 0.000 0.457 293 I N 2.336 123.192 120.570 0.478 0.000 2.371 293 I HA 0.235 4.405 4.170 0.000 0.000 0.290 293 I C 0.545 176.909 176.117 0.412 0.000 1.028 293 I CA -0.065 61.405 61.300 0.282 0.000 1.345 293 I CB 0.858 38.962 38.000 0.174 0.000 1.407 293 I HN 0.780 nan 8.210 nan 0.000 0.501 294 S N 4.371 120.250 115.700 0.299 0.000 2.576 294 S HA 0.113 4.583 4.470 0.000 0.000 0.276 294 S C 0.747 175.483 174.600 0.226 0.000 1.339 294 S CA -0.335 58.084 58.200 0.366 0.000 1.039 294 S CB 0.589 63.936 63.200 0.246 0.000 0.902 294 S HN 0.514 nan 8.310 nan 0.000 0.516 295 D N 1.629 122.162 120.400 0.222 0.000 2.340 295 D HA 0.123 4.764 4.640 0.000 0.000 0.220 295 D C 0.378 176.736 176.300 0.096 0.000 1.039 295 D CA 0.460 54.563 54.000 0.171 0.000 0.866 295 D CB 0.093 41.056 40.800 0.270 0.000 0.913 295 D HN 0.689 nan 8.370 nan 0.000 0.523 296 T N -1.159 113.448 114.554 0.088 0.000 2.863 296 T HA 0.560 4.910 4.350 0.000 0.000 0.285 296 T C -2.741 171.971 174.700 0.019 0.000 1.009 296 T CA -1.869 60.260 62.100 0.047 0.000 0.989 296 T CB 2.988 71.891 68.868 0.057 0.000 1.004 296 T HN -0.242 nan 8.240 nan 0.000 0.455 297 P HA 0.685 nan 4.420 nan 0.000 0.279 297 P C 0.639 177.929 177.300 -0.017 0.000 1.282 297 P CA 0.329 63.417 63.100 -0.020 0.000 0.788 297 P CB 0.547 32.229 31.700 -0.030 0.000 1.139 298 G N -0.439 108.344 108.800 -0.028 0.000 2.337 298 G HA2 -0.043 3.917 3.960 0.000 0.000 0.197 298 G HA3 -0.043 3.917 3.960 0.000 0.000 0.197 298 G C -0.995 173.883 174.900 -0.036 0.000 1.238 298 G CA -0.402 44.681 45.100 -0.028 0.000 1.119 298 G HN 0.750 nan 8.290 nan 0.000 0.514 299 E N 0.397 120.576 120.200 -0.035 0.000 2.383 299 E HA 0.528 4.878 4.350 0.000 0.000 0.264 299 E C 0.128 176.703 176.600 -0.042 0.000 1.050 299 E CA -0.409 55.966 56.400 -0.042 0.000 0.896 299 E CB 1.004 30.678 29.700 -0.044 0.000 0.982 299 E HN 0.564 nan 8.360 nan 0.000 0.424 300 R N 1.780 122.256 120.500 -0.041 0.000 2.438 300 R HA 0.061 4.401 4.340 0.000 0.000 0.287 300 R C 0.138 176.426 176.300 -0.021 0.000 1.077 300 R CA -0.331 55.753 56.100 -0.027 0.000 1.034 300 R CB 0.238 30.526 30.300 -0.020 0.000 0.993 300 R HN 0.661 nan 8.270 nan 0.000 0.459 301 N N 3.122 121.810 118.700 -0.020 0.000 2.317 301 N HA 0.096 4.836 4.740 0.000 0.000 0.245 301 N C -2.182 173.393 175.510 0.109 0.000 1.294 301 N CA -1.350 51.684 53.050 -0.027 0.000 0.924 301 N CB 0.152 38.561 38.487 -0.130 0.000 1.186 301 N HN 0.154 nan 8.380 nan 0.000 0.495 302 P HA -0.091 nan 4.420 nan 0.000 0.225 302 P C 0.519 178.040 177.300 0.368 0.000 1.148 302 P CA 0.791 64.063 63.100 0.287 0.000 0.779 302 P CB -0.122 31.765 31.700 0.311 0.000 0.780 303 Y N 1.225 121.702 120.300 0.296 0.000 2.206 303 Y HA -0.064 4.486 4.550 0.000 0.000 0.292 303 Y C 1.920 177.896 175.900 0.127 0.000 1.123 303 Y CA 1.331 59.531 58.100 0.167 0.000 1.142 303 Y CB -0.651 37.841 38.460 0.053 0.000 1.006 303 Y HN -0.046 nan 8.280 nan 0.000 0.518 304 E N -0.174 120.008 120.200 -0.029 0.000 2.110 304 E HA -0.225 4.125 4.350 0.000 0.000 0.193 304 E C 1.909 178.496 176.600 -0.022 0.000 0.988 304 E CA 1.232 57.557 56.400 -0.125 0.000 0.804 304 E CB -0.253 29.430 29.700 -0.030 0.000 0.745 304 E HN 0.409 nan 8.360 nan 0.000 0.458 305 N N 1.219 119.950 118.700 0.051 0.000 2.058 305 N HA -0.141 4.599 4.740 0.000 0.000 0.191 305 N C 1.715 177.249 175.510 0.041 0.000 1.037 305 N CA 0.978 54.074 53.050 0.077 0.000 0.848 305 N CB -0.113 38.459 38.487 0.140 0.000 1.021 305 N HN 0.121 nan 8.380 nan 0.000 0.422 306 I N -0.407 120.223 120.570 0.101 0.000 2.252 306 I HA -0.199 3.971 4.170 0.000 0.000 0.245 306 I C 1.979 178.085 176.117 -0.018 0.000 1.102 306 I CA 0.752 62.097 61.300 0.075 0.000 1.385 306 I CB -0.078 38.063 38.000 0.234 0.000 1.064 306 I HN 0.226 nan 8.210 nan 0.000 0.414 307 L N -0.056 121.131 121.223 -0.060 0.000 2.046 307 L HA -0.267 4.073 4.340 0.000 0.000 0.208 307 L C 2.314 179.138 176.870 -0.076 0.000 1.077 307 L CA 1.884 56.657 54.840 -0.112 0.000 0.747 307 L CB -0.993 40.877 42.059 -0.314 0.000 0.896 307 L HN 0.270 nan 8.230 nan 0.000 0.432 308 Y N 0.644 120.874 120.300 -0.116 0.000 2.053 308 Y HA -0.337 4.213 4.550 0.000 0.000 0.277 308 Y C 2.571 178.406 175.900 -0.109 0.000 1.159 308 Y CA 2.421 60.476 58.100 -0.075 0.000 1.125 308 Y CB -0.173 38.258 38.460 -0.048 0.000 0.969 308 Y HN 0.170 nan 8.280 nan 0.000 0.492 309 K N -0.267 120.069 120.400 -0.106 0.000 2.097 309 K HA -0.143 4.177 4.320 0.000 0.000 0.206 309 K C 2.042 178.509 176.600 -0.221 0.000 1.049 309 K CA 1.739 57.905 56.287 -0.202 0.000 0.933 309 K CB -0.219 32.051 32.500 -0.384 0.000 0.717 309 K HN 0.369 nan 8.250 nan 0.000 0.442 310 I N 0.371 120.828 120.570 -0.187 0.000 2.163 310 I HA -0.315 3.855 4.170 0.000 0.000 0.240 310 I C 2.197 178.209 176.117 -0.174 0.000 1.081 310 I CA 0.883 62.093 61.300 -0.149 0.000 1.353 310 I CB -0.392 37.546 38.000 -0.104 0.000 1.054 310 I HN 0.230 nan 8.210 nan 0.000 0.407 311 C N 0.602 119.781 119.300 -0.202 0.000 2.409 311 C HA -0.140 4.320 4.460 0.000 0.000 0.284 311 C C 2.692 177.511 174.990 -0.287 0.000 1.354 311 C CA 0.262 59.150 59.018 -0.216 0.000 1.787 311 C CB -1.117 26.505 27.740 -0.196 0.000 1.900 311 C HN 0.479 nan 8.230 nan 0.000 0.520 312 L N 0.856 121.856 121.223 -0.372 0.000 2.012 312 L HA 0.022 4.362 4.340 0.000 0.000 0.210 312 L C 1.100 177.838 176.870 -0.221 0.000 1.073 312 L CA 2.064 56.688 54.840 -0.360 0.000 0.748 312 L CB -0.405 41.438 42.059 -0.360 0.000 0.891 312 L HN 0.363 nan 8.230 nan 0.000 0.431 313 S N -2.358 113.240 115.700 -0.171 0.000 2.536 313 S HA 0.556 5.026 4.470 0.000 0.000 0.271 313 S C 0.602 175.132 174.600 -0.116 0.000 1.134 313 S CA -0.318 57.806 58.200 -0.127 0.000 0.897 313 S CB 1.339 64.482 63.200 -0.094 0.000 1.094 313 S HN 0.290 nan 8.310 nan 0.000 0.473 314 G N 1.480 110.217 108.800 -0.105 0.000 2.848 314 G HA2 0.178 4.138 3.960 0.000 0.000 0.208 314 G HA3 0.178 4.138 3.960 0.000 0.000 0.208 314 G C -0.111 174.724 174.900 -0.109 0.000 1.152 314 G CA 0.255 45.294 45.100 -0.102 0.000 0.789 314 G HN 0.671 nan 8.290 nan 0.000 0.531 315 D N -1.051 119.282 120.400 -0.112 0.000 2.337 315 D HA 0.496 5.136 4.640 0.000 0.000 0.238 315 D C 0.262 176.479 176.300 -0.139 0.000 1.331 315 D CA 0.407 54.328 54.000 -0.132 0.000 0.967 315 D CB 0.495 41.238 40.800 -0.095 0.000 1.382 315 D HN 0.278 nan 8.370 nan 0.000 0.549 316 G N 1.533 110.195 108.800 -0.230 0.000 2.367 316 G HA2 0.146 4.106 3.960 0.000 0.000 0.272 316 G HA3 0.146 4.106 3.960 0.000 0.000 0.272 316 G C -1.611 173.114 174.900 -0.292 0.000 1.271 316 G CA -0.887 44.094 45.100 -0.199 0.000 0.893 316 G HN 0.090 nan 8.290 nan 0.000 0.485 317 W N 1.148 122.465 121.300 0.028 0.000 2.363 317 W HA 0.405 5.065 4.660 0.000 0.000 0.314 317 W C -2.205 174.353 176.519 0.065 0.000 0.994 317 W CA -1.305 56.077 57.345 0.061 0.000 1.449 317 W CB 1.958 31.458 29.460 0.067 0.000 1.248 317 W HN 0.322 nan 8.180 nan 0.000 0.409 318 P HA -0.180 nan 4.420 nan 0.000 0.218 318 P C 1.071 178.387 177.300 0.027 0.000 1.149 318 P CA 1.742 64.874 63.100 0.053 0.000 0.817 318 P CB 0.219 31.897 31.700 -0.038 0.000 0.785 319 Y N -1.204 119.177 120.300 0.136 0.000 2.448 319 Y HA 0.051 4.602 4.550 0.000 0.000 0.289 319 Y C 1.967 177.934 175.900 0.111 0.000 1.114 319 Y CA 0.524 58.700 58.100 0.126 0.000 1.235 319 Y CB -0.270 38.272 38.460 0.138 0.000 1.045 319 Y HN -0.064 nan 8.280 nan 0.000 0.554 320 I N -3.967 116.766 120.570 0.272 0.000 4.592 320 I HA 0.503 4.673 4.170 0.000 0.000 0.329 320 I C 0.910 177.083 176.117 0.094 0.000 1.309 320 I CA -0.531 60.867 61.300 0.163 0.000 1.243 320 I CB -0.348 37.731 38.000 0.133 0.000 1.241 320 I HN -0.176 nan 8.210 nan 0.000 0.434 321 A N 1.194 124.107 122.820 0.155 0.000 2.366 321 A HA 0.565 4.885 4.320 0.000 0.000 0.249 321 A C 0.544 178.167 177.584 0.065 0.000 1.084 321 A CA 0.197 52.303 52.037 0.117 0.000 0.794 321 A CB 0.066 19.228 19.000 0.271 0.000 1.034 321 A HN 0.365 nan 8.150 nan 0.000 0.491 322 S N -0.169 115.550 115.700 0.032 0.000 2.481 322 S HA 0.146 4.616 4.470 0.000 0.000 0.282 322 S C 0.834 175.446 174.600 0.020 0.000 1.243 322 S CA -0.114 58.091 58.200 0.008 0.000 1.078 322 S CB -0.209 62.987 63.200 -0.006 0.000 0.916 322 S HN 0.594 nan 8.310 nan 0.000 0.495 323 R N 2.208 122.712 120.500 0.006 0.000 2.437 323 R HA 0.093 4.433 4.340 0.000 0.000 0.257 323 R C 1.951 178.242 176.300 -0.016 0.000 0.927 323 R CA 0.632 56.734 56.100 0.003 0.000 1.078 323 R CB 0.000 30.305 30.300 0.009 0.000 1.161 323 R HN 0.813 nan 8.270 nan 0.000 0.529 324 T N -2.532 112.006 114.554 -0.027 0.000 3.051 324 T HA -0.010 4.340 4.350 0.000 0.000 0.269 324 T C 1.542 176.217 174.700 -0.040 0.000 1.127 324 T CA 1.023 63.096 62.100 -0.044 0.000 1.107 324 T CB 0.023 68.855 68.868 -0.059 0.000 0.898 324 T HN -0.069 nan 8.240 nan 0.000 0.517 325 S N 0.750 116.433 115.700 -0.028 0.000 2.556 325 S HA 0.359 4.829 4.470 0.000 0.000 0.216 325 S C 0.445 175.026 174.600 -0.032 0.000 0.970 325 S CA -0.462 57.721 58.200 -0.028 0.000 0.912 325 S CB -0.140 63.049 63.200 -0.019 0.000 0.790 325 S HN 0.438 nan 8.310 nan 0.000 0.504 326 I N 3.681 124.230 120.570 -0.036 0.000 2.441 326 I HA 0.187 4.357 4.170 0.000 0.000 0.287 326 I C 1.051 177.134 176.117 -0.057 0.000 1.049 326 I CA 0.064 61.335 61.300 -0.048 0.000 1.381 326 I CB 0.417 38.384 38.000 -0.055 0.000 1.409 326 I HN 0.134 nan 8.210 nan 0.000 0.523 327 T N 1.827 116.341 114.554 -0.066 0.000 2.952 327 T HA 0.799 5.149 4.350 0.000 0.000 0.286 327 T C 0.249 174.888 174.700 -0.103 0.000 1.024 327 T CA -0.014 62.044 62.100 -0.071 0.000 1.029 327 T CB 1.921 70.755 68.868 -0.058 0.000 1.094 327 T HN 1.210 nan 8.240 nan 0.000 0.515 328 G N 1.375 110.107 108.800 -0.114 0.000 2.757 328 G HA2 0.090 4.050 3.960 0.000 0.000 0.638 328 G HA3 0.090 4.050 3.960 0.000 0.000 0.638 328 G C -1.031 173.709 174.900 -0.266 0.000 1.344 328 G CA -0.928 44.065 45.100 -0.178 0.000 0.855 328 G HN 0.875 nan 8.290 nan 0.000 0.537 329 R N -0.364 119.857 120.500 -0.466 0.000 2.787 329 R HA 0.825 5.165 4.340 0.000 0.000 0.271 329 R C 1.557 177.356 176.300 -0.835 0.000 0.993 329 R CA -0.231 55.396 56.100 -0.788 0.000 0.993 329 R CB 0.748 30.085 30.300 -1.605 0.000 1.155 329 R HN 1.283 nan 8.270 nan 0.000 0.486 330 A N 1.108 123.420 122.820 -0.847 0.000 1.908 330 A HA -0.175 4.145 4.320 0.000 0.000 0.218 330 A C 1.637 179.030 177.584 -0.319 0.000 1.181 330 A CA 1.770 53.416 52.037 -0.652 0.000 0.627 330 A CB -0.795 17.576 19.000 -1.049 0.000 0.818 330 A HN 0.874 nan 8.150 nan 0.000 0.445 331 W N 0.098 121.353 121.300 -0.074 0.000 2.468 331 W HA 0.029 4.689 4.660 0.000 0.000 0.262 331 W C 1.297 177.798 176.519 -0.030 0.000 1.241 331 W CA 0.951 58.276 57.345 -0.033 0.000 1.232 331 W CB -0.359 29.108 29.460 0.011 0.000 1.124 331 W HN 0.392 nan 8.180 nan 0.000 0.597 332 E N 0.536 120.547 120.200 -0.314 0.000 2.140 332 E HA -0.096 4.254 4.350 0.000 0.000 0.191 332 E C 1.682 178.196 176.600 -0.143 0.000 0.973 332 E CA 0.829 57.121 56.400 -0.181 0.000 0.829 332 E CB -0.242 29.299 29.700 -0.264 0.000 0.781 332 E HN 0.191 nan 8.360 nan 0.000 0.466 333 N N 0.094 118.673 118.700 -0.201 0.000 2.446 333 N HA -0.001 4.739 4.740 0.000 0.000 0.179 333 N C -0.344 175.094 175.510 -0.120 0.000 1.054 333 N CA 0.700 53.653 53.050 -0.162 0.000 0.905 333 N CB 0.742 39.106 38.487 -0.206 0.000 0.973 333 N HN -0.078 nan 8.380 nan 0.000 0.448 334 T N 0.849 115.340 114.554 -0.105 0.000 2.906 334 T HA 0.448 4.798 4.350 0.000 0.000 0.302 334 T C -0.480 174.206 174.700 -0.022 0.000 1.002 334 T CA -0.717 61.342 62.100 -0.068 0.000 0.988 334 T CB 1.807 70.627 68.868 -0.081 0.000 0.972 334 T HN -0.068 nan 8.240 nan 0.000 0.447 335 V N 1.301 121.207 119.914 -0.014 0.000 2.680 335 V HA 0.860 4.980 4.120 0.000 0.000 0.309 335 V C -0.382 175.717 176.094 0.009 0.000 1.052 335 V CA -0.907 61.400 62.300 0.011 0.000 0.908 335 V CB 1.831 33.662 31.823 0.012 0.000 1.001 335 V HN 0.522 nan 8.190 nan 0.000 0.431 336 V N 3.425 123.351 119.914 0.020 0.000 2.383 336 V HA 0.386 4.506 4.120 0.000 0.000 0.275 336 V C -0.312 175.790 176.094 0.014 0.000 1.036 336 V CA 0.082 62.392 62.300 0.016 0.000 0.889 336 V CB 1.244 33.081 31.823 0.023 0.000 0.985 336 V HN 1.073 nan 8.190 nan 0.000 0.459 337 D N 5.149 125.553 120.400 0.007 0.000 2.443 337 D HA 0.550 5.190 4.640 0.000 0.000 0.221 337 D C -0.756 175.547 176.300 0.005 0.000 1.097 337 D CA -0.025 53.978 54.000 0.006 0.000 0.865 337 D CB 1.050 41.850 40.800 0.001 0.000 1.034 337 D HN 0.303 nan 8.370 nan 0.000 0.511 365 L N 1.770 122.975 121.223 -0.029 0.000 2.416 365 L HA 0.474 4.814 4.340 0.000 0.000 0.272 365 L C 1.743 178.604 176.870 -0.015 0.000 1.161 365 L CA 0.024 54.841 54.840 -0.038 0.000 0.845 365 L CB 1.075 43.096 42.059 -0.065 0.000 1.119 365 L HN 0.847 nan 8.230 nan 0.000 0.464 366 T N 0.161 114.707 114.554 -0.014 0.000 2.766 366 T HA 0.024 4.374 4.350 0.000 0.000 0.295 366 T C 1.097 175.821 174.700 0.040 0.000 1.024 366 T CA 0.075 62.188 62.100 0.022 0.000 1.018 366 T CB 0.181 69.061 68.868 0.019 0.000 1.002 366 T HN 0.530 nan 8.240 nan 0.000 0.532 367 Y N 1.176 121.458 120.300 -0.030 0.000 2.207 367 Y HA -0.103 4.447 4.550 0.000 0.000 0.287 367 Y C 2.537 178.416 175.900 -0.034 0.000 1.156 367 Y CA 1.963 60.046 58.100 -0.029 0.000 1.182 367 Y CB -0.784 37.664 38.460 -0.021 0.000 0.979 367 Y HN 0.664 nan 8.280 nan 0.000 0.521 368 S N 0.326 115.889 115.700 -0.228 0.000 2.368 368 S HA -0.213 4.257 4.470 0.000 0.000 0.224 368 S C 1.831 176.269 174.600 -0.270 0.000 1.029 368 S CA 1.432 59.438 58.200 -0.324 0.000 0.988 368 S CB -0.319 62.800 63.200 -0.136 0.000 0.838 368 S HN 0.607 nan 8.310 nan 0.000 0.462 369 Q N 0.629 120.322 119.800 -0.178 0.000 2.061 369 Q HA -0.060 4.280 4.340 0.000 0.000 0.204 369 Q C 2.221 178.124 176.000 -0.162 0.000 0.984 369 Q CA 1.165 56.876 55.803 -0.152 0.000 0.846 369 Q CB -0.410 28.263 28.738 -0.108 0.000 0.902 369 Q HN 0.459 nan 8.270 nan 0.000 0.421 370 L N -0.035 121.093 121.223 -0.160 0.000 2.079 370 L HA -0.226 4.115 4.340 0.000 0.000 0.210 370 L C 2.487 179.256 176.870 -0.168 0.000 1.081 370 L CA 1.068 55.825 54.840 -0.139 0.000 0.752 370 L CB -0.314 41.695 42.059 -0.084 0.000 0.896 370 L HN 0.349 nan 8.230 nan 0.000 0.433 371 M N -1.158 118.281 119.600 -0.269 0.000 2.086 371 M HA -0.187 4.293 4.480 0.000 0.000 0.261 371 M C 2.312 178.510 176.300 -0.170 0.000 1.067 371 M CA 1.999 57.150 55.300 -0.249 0.000 1.116 371 M CB -0.757 31.611 32.600 -0.386 0.000 1.348 371 M HN 0.235 nan 8.290 nan 0.000 0.407 372 T N 1.490 115.938 114.554 -0.176 0.000 2.684 372 T HA -0.178 4.173 4.350 0.000 0.000 0.267 372 T C 1.718 176.354 174.700 -0.106 0.000 1.036 372 T CA 1.498 63.518 62.100 -0.134 0.000 1.148 372 T CB -0.476 68.306 68.868 -0.143 0.000 0.863 372 T HN 0.263 nan 8.240 nan 0.000 0.436 373 L N 1.539 122.693 121.223 -0.114 0.000 2.042 373 L HA -0.127 4.213 4.340 0.000 0.000 0.210 373 L C 2.182 179.004 176.870 -0.079 0.000 1.076 373 L CA 1.827 56.606 54.840 -0.102 0.000 0.749 373 L CB -0.535 41.452 42.059 -0.119 0.000 0.893 373 L HN 0.115 nan 8.230 nan 0.000 0.432 374 K N -0.659 119.695 120.400 -0.077 0.000 2.025 374 K HA -0.136 4.184 4.320 0.000 0.000 0.207 374 K C 1.808 178.384 176.600 -0.040 0.000 1.049 374 K CA 1.542 57.797 56.287 -0.054 0.000 0.933 374 K CB -0.560 31.910 32.500 -0.051 0.000 0.714 374 K HN 0.343 nan 8.250 nan 0.000 0.438 375 D N 1.253 121.624 120.400 -0.048 0.000 2.123 375 D HA -0.123 4.517 4.640 0.000 0.000 0.196 375 D C 1.893 178.178 176.300 -0.024 0.000 0.992 375 D CA 1.441 55.421 54.000 -0.034 0.000 0.833 375 D CB -0.236 40.538 40.800 -0.043 0.000 0.954 375 D HN 0.227 nan 8.370 nan 0.000 0.455 376 A N 0.739 123.538 122.820 -0.035 0.000 1.933 376 A HA -0.164 4.156 4.320 0.000 0.000 0.218 376 A C 2.071 179.643 177.584 -0.020 0.000 1.175 376 A CA 1.270 53.290 52.037 -0.028 0.000 0.628 376 A CB -0.437 18.537 19.000 -0.042 0.000 0.814 376 A HN 0.115 nan 8.150 nan 0.000 0.444 377 M N -0.204 119.381 119.600 -0.025 0.000 2.358 377 M HA -0.041 4.439 4.480 0.000 0.000 0.264 377 M C 1.846 178.147 176.300 0.000 0.000 1.064 377 M CA 0.926 56.216 55.300 -0.017 0.000 1.093 377 M CB -1.265 31.322 32.600 -0.022 0.000 1.401 377 M HN 0.407 nan 8.290 nan 0.000 0.440 378 L N -0.157 121.073 121.223 0.013 0.000 2.261 378 L HA -0.230 4.110 4.340 0.000 0.000 0.216 378 L C 2.575 179.492 176.870 0.078 0.000 1.114 378 L CA 1.070 55.937 54.840 0.044 0.000 0.777 378 L CB -0.860 41.221 42.059 0.037 0.000 0.910 378 L HN 0.403 nan 8.230 nan 0.000 0.440 379 Q N 0.894 120.726 119.800 0.053 0.000 2.181 379 Q HA -0.143 4.197 4.340 0.000 0.000 0.205 379 Q C 0.883 176.913 176.000 0.049 0.000 0.980 379 Q CA 0.871 56.714 55.803 0.066 0.000 0.862 379 Q CB -0.036 28.722 28.738 0.034 0.000 0.905 379 Q HN 0.455 nan 8.270 nan 0.000 0.429 380 L N 2.348 123.565 121.223 -0.009 0.000 2.490 380 L HA 0.004 4.344 4.340 0.000 0.000 0.274 380 L C 0.064 176.773 176.870 -0.269 0.000 1.201 380 L CA -0.387 54.397 54.840 -0.093 0.000 0.869 380 L CB 0.154 42.164 42.059 -0.081 0.000 1.123 380 L HN 0.177 nan 8.230 nan 0.000 0.484 381 D N 4.834 124.961 120.400 -0.455 0.000 2.336 381 D HA 0.154 4.794 4.640 0.000 0.000 0.249 381 D C -1.719 174.263 176.300 -0.529 0.000 1.213 381 D CA -2.115 51.291 54.000 -0.990 0.000 0.870 381 D CB 1.488 41.808 40.800 -0.800 0.000 1.076 381 D HN 0.165 nan 8.370 nan 0.000 0.483 382 P HA -0.052 nan 4.420 nan 0.000 0.225 382 P C 0.121 177.326 177.300 -0.159 0.000 1.148 382 P CA 0.981 63.961 63.100 -0.199 0.000 0.779 382 P CB 0.228 31.863 31.700 -0.107 0.000 0.780 383 N N -1.024 117.563 118.700 -0.189 0.000 2.392 383 N HA 0.134 4.874 4.740 0.000 0.000 0.177 383 N C 0.674 176.118 175.510 -0.110 0.000 1.066 383 N CA -0.087 52.898 53.050 -0.108 0.000 0.895 383 N CB -0.144 38.313 38.487 -0.050 0.000 0.988 383 N HN 0.050 nan 8.380 nan 0.000 0.457 384 A N 1.169 123.900 122.820 -0.148 0.000 2.366 384 A HA 0.150 4.470 4.320 0.000 0.000 0.249 384 A C 0.307 177.818 177.584 -0.122 0.000 1.084 384 A CA -0.380 51.582 52.037 -0.125 0.000 0.794 384 A CB 0.258 19.172 19.000 -0.142 0.000 1.034 384 A HN 0.171 nan 8.150 nan 0.000 0.491 385 K N 0.474 120.803 120.400 -0.119 0.000 2.484 385 K HA 0.197 4.517 4.320 0.000 0.000 0.280 385 K C -0.921 175.590 176.600 -0.150 0.000 1.013 385 K CA 0.766 56.964 56.287 -0.149 0.000 1.029 385 K CB 0.075 32.496 32.500 -0.132 0.000 0.902 385 K HN 0.607 nan 8.250 nan 0.000 0.481 386 T N 4.603 119.056 114.554 -0.168 0.000 2.965 386 T HA 0.197 4.548 4.350 0.000 0.000 0.306 386 T C -1.195 173.462 174.700 -0.072 0.000 0.991 386 T CA -0.582 61.467 62.100 -0.085 0.000 1.001 386 T CB 0.150 68.978 68.868 -0.067 0.000 0.984 386 T HN 0.493 nan 8.240 nan 0.000 0.446 387 W N 3.338 124.613 121.300 -0.042 0.000 2.251 387 W HA 0.674 5.335 4.660 0.000 0.000 0.329 387 W C 0.322 176.870 176.519 0.048 0.000 1.234 387 W CA -0.691 56.670 57.345 0.028 0.000 1.228 387 W CB 0.849 30.359 29.460 0.083 0.000 1.135 387 W HN 0.392 nan 8.180 nan 0.000 0.576 388 M N 2.352 122.141 119.600 0.315 0.000 2.518 388 M HA 0.389 4.869 4.480 0.000 0.000 0.300 388 M C -1.830 174.605 176.300 0.225 0.000 1.175 388 M CA -0.358 55.068 55.300 0.209 0.000 0.890 388 M CB 2.120 34.790 32.600 0.117 0.000 1.710 388 M HN 0.519 nan 8.290 nan 0.000 0.453 389 D N 2.385 122.866 120.400 0.134 0.000 2.609 389 D HA 0.718 5.358 4.640 0.000 0.000 0.239 389 D C -1.634 174.693 176.300 0.046 0.000 1.229 389 D CA -0.504 53.565 54.000 0.114 0.000 0.808 389 D CB 2.267 43.109 40.800 0.070 0.000 1.448 389 D HN 0.652 nan 8.370 nan 0.000 0.433 390 I N -1.795 118.812 120.570 0.063 0.000 3.074 390 I HA 0.693 4.863 4.170 0.000 0.000 0.310 390 I C -1.192 174.979 176.117 0.089 0.000 1.153 390 I CA -0.803 60.520 61.300 0.038 0.000 0.993 390 I CB 2.316 40.337 38.000 0.036 0.000 1.237 390 I HN 0.103 nan 8.210 nan 0.000 0.443 391 E N 1.970 122.229 120.200 0.099 0.000 2.212 391 E HA 0.697 5.047 4.350 0.000 0.000 0.268 391 E C -0.162 176.542 176.600 0.173 0.000 0.902 391 E CA -0.167 56.343 56.400 0.182 0.000 0.779 391 E CB 1.946 31.789 29.700 0.238 0.000 1.172 391 E HN 1.132 nan 8.360 nan 0.000 0.409 392 G N 2.100 111.043 108.800 0.237 0.000 2.663 392 G HA2 -0.189 3.771 3.960 0.000 0.000 0.686 392 G HA3 -0.189 3.771 3.960 0.000 0.000 0.686 392 G C -0.566 174.425 174.900 0.152 0.000 1.246 392 G CA -0.900 44.324 45.100 0.207 0.000 0.795 392 G HN 0.443 nan 8.290 nan 0.000 0.627 393 R N 2.043 122.627 120.500 0.140 0.000 2.694 393 R HA 0.263 4.603 4.340 0.000 0.000 0.268 393 R C -1.089 175.269 176.300 0.097 0.000 1.061 393 R CA -0.770 55.395 56.100 0.108 0.000 1.133 393 R CB 0.751 31.111 30.300 0.099 0.000 1.020 393 R HN 0.409 nan 8.270 nan 0.000 0.475 394 P HA -0.188 nan 4.420 nan 0.000 0.220 394 P C 0.571 177.913 177.300 0.070 0.000 1.148 394 P CA 1.315 64.458 63.100 0.072 0.000 0.803 394 P CB 0.107 31.844 31.700 0.061 0.000 0.782 395 E N 0.444 120.686 120.200 0.069 0.000 2.511 395 E HA -0.111 4.239 4.350 0.000 0.000 0.196 395 E C -0.156 176.490 176.600 0.078 0.000 1.066 395 E CA 0.736 57.176 56.400 0.067 0.000 0.871 395 E CB -0.489 29.246 29.700 0.059 0.000 0.863 395 E HN 0.181 nan 8.360 nan 0.000 0.520 396 D N 0.649 121.105 120.400 0.094 0.000 3.285 396 D HA 0.227 4.867 4.640 0.000 0.000 0.273 396 D C -2.814 173.567 176.300 0.134 0.000 1.295 396 D CA -1.635 52.433 54.000 0.113 0.000 0.762 396 D CB 0.862 41.736 40.800 0.123 0.000 1.379 396 D HN -0.100 nan 8.370 nan 0.000 0.612 397 P HA 0.150 nan 4.420 nan 0.000 0.274 397 P C 0.812 178.189 177.300 0.128 0.000 1.237 397 P CA -0.475 62.692 63.100 0.110 0.000 0.793 397 P CB 1.474 33.214 31.700 0.066 0.000 0.977 398 V N -2.891 117.097 119.914 0.123 0.000 3.497 398 V HA 0.376 4.496 4.120 0.000 0.000 0.272 398 V C 0.309 176.474 176.094 0.118 0.000 1.474 398 V CA 0.437 62.829 62.300 0.154 0.000 1.025 398 V CB -0.275 31.692 31.823 0.239 0.000 0.820 398 V HN 0.490 nan 8.190 nan 0.000 0.437 399 E N 0.342 120.541 120.200 -0.002 0.000 2.278 399 E HA 0.655 5.005 4.350 0.000 0.000 0.272 399 E C -1.832 174.602 176.600 -0.277 0.000 0.890 399 E CA -0.696 55.592 56.400 -0.187 0.000 0.770 399 E CB 2.586 32.284 29.700 -0.005 0.000 1.212 399 E HN 0.467 nan 8.360 nan 0.000 0.415 400 I N 2.968 123.177 120.570 -0.603 0.000 2.436 400 I HA 0.615 4.785 4.170 0.000 0.000 0.289 400 I C -0.462 175.401 176.117 -0.424 0.000 1.010 400 I CA -0.644 60.329 61.300 -0.545 0.000 1.098 400 I CB 1.905 39.433 38.000 -0.786 0.000 1.266 400 I HN 0.536 nan 8.210 nan 0.000 0.434 401 A N 7.013 129.740 122.820 -0.155 0.000 2.374 401 A HA 0.971 5.291 4.320 0.000 0.000 0.317 401 A C -1.273 176.336 177.584 0.040 0.000 1.094 401 A CA -0.460 51.554 52.037 -0.038 0.000 0.765 401 A CB 1.408 20.355 19.000 -0.090 0.000 1.268 401 A HN 0.592 nan 8.150 nan 0.000 0.438 402 L N 1.418 122.710 121.223 0.116 0.000 2.431 402 L HA 0.613 4.953 4.340 0.000 0.000 0.266 402 L C -1.241 175.785 176.870 0.259 0.000 0.978 402 L CA -0.331 54.609 54.840 0.168 0.000 0.822 402 L CB 2.244 44.382 42.059 0.132 0.000 1.310 402 L HN 0.725 nan 8.230 nan 0.000 0.409 403 Y N 1.889 122.253 120.300 0.107 0.000 2.441 403 Y HA 0.489 5.039 4.550 0.000 0.000 0.334 403 Y C -1.472 174.500 175.900 0.120 0.000 1.061 403 Y CA -0.985 57.170 58.100 0.093 0.000 1.032 403 Y CB 1.988 40.448 38.460 0.001 0.000 1.266 403 Y HN 0.618 nan 8.280 nan 0.000 0.441 404 Q N 8.369 128.024 119.800 -0.242 0.000 2.508 404 Q HA 0.285 4.625 4.340 0.000 0.000 0.247 404 Q C -2.243 173.418 176.000 -0.565 0.000 1.047 404 Q CA -2.068 53.528 55.803 -0.345 0.000 0.783 404 Q CB 1.873 30.533 28.738 -0.129 0.000 1.172 404 Q HN 0.459 nan 8.270 nan 0.000 0.515 405 P HA -0.258 nan 4.420 nan 0.000 0.217 405 P C 1.424 178.632 177.300 -0.155 0.000 1.148 405 P CA 1.444 64.212 63.100 -0.554 0.000 0.834 405 P CB 0.381 31.883 31.700 -0.331 0.000 0.783 406 S N -0.795 114.827 115.700 -0.129 0.000 2.357 406 S HA -0.092 4.378 4.470 0.000 0.000 0.221 406 S C 2.030 176.627 174.600 -0.004 0.000 1.031 406 S CA 1.703 59.876 58.200 -0.045 0.000 0.982 406 S CB -0.765 62.408 63.200 -0.045 0.000 0.853 406 S HN 0.260 nan 8.310 nan 0.000 0.458 407 S N -0.230 115.465 115.700 -0.008 0.000 2.425 407 S HA 0.309 4.779 4.470 0.000 0.000 0.225 407 S C 1.760 176.407 174.600 0.078 0.000 1.024 407 S CA 0.929 59.152 58.200 0.037 0.000 0.951 407 S CB -0.713 62.503 63.200 0.027 0.000 0.796 407 S HN 1.286 nan 8.310 nan 0.000 0.498 408 G N 1.025 109.880 108.800 0.092 0.000 2.143 408 G HA2 -0.288 3.672 3.960 0.000 0.000 0.249 408 G HA3 -0.288 3.672 3.960 0.000 0.000 0.249 408 G C 0.276 175.354 174.900 0.296 0.000 0.981 408 G CA 0.060 45.296 45.100 0.227 0.000 0.665 408 G HN 1.384 nan 8.290 nan 0.000 0.528 409 C N 0.226 119.656 119.300 0.217 0.000 2.466 409 C HA 0.967 5.428 4.460 0.000 0.000 0.379 409 C C 0.205 175.388 174.990 0.321 0.000 1.251 409 C CA -0.983 58.156 59.018 0.201 0.000 2.263 409 C CB 0.013 27.796 27.740 0.072 0.000 2.511 409 C HN 1.346 nan 8.230 nan 0.000 0.573 410 Y N 0.246 120.615 120.300 0.115 0.000 2.588 410 Y HA 0.856 5.406 4.550 0.000 0.000 0.343 410 Y C -1.130 174.822 175.900 0.086 0.000 1.065 410 Y CA -1.806 56.357 58.100 0.105 0.000 1.038 410 Y CB 0.918 39.371 38.460 -0.012 0.000 1.297 410 Y HN 0.676 nan 8.280 nan 0.000 0.467 411 I N 3.125 123.794 120.570 0.165 0.000 2.433 411 I HA 0.395 4.565 4.170 0.000 0.000 0.292 411 I C -0.996 175.282 176.117 0.269 0.000 1.001 411 I CA -0.548 60.836 61.300 0.139 0.000 1.119 411 I CB 1.754 39.850 38.000 0.160 0.000 1.289 411 I HN 0.835 nan 8.210 nan 0.000 0.438 412 H N 7.463 126.606 119.070 0.123 0.000 3.128 412 H HA 0.481 5.037 4.556 0.000 0.000 0.336 412 H C -1.897 173.385 175.328 -0.077 0.000 1.026 412 H CA -0.512 55.517 56.048 -0.032 0.000 1.376 412 H CB 1.735 31.558 29.762 0.101 0.000 1.882 412 H HN 0.552 nan 8.280 nan 0.000 0.479 413 F N 2.970 122.511 119.950 -0.682 0.000 2.831 413 F HA 0.712 5.239 4.527 0.000 0.000 0.318 413 F C -2.431 172.806 175.800 -0.938 0.000 1.174 413 F CA -1.106 56.438 58.000 -0.760 0.000 0.918 413 F CB 1.273 40.080 39.000 -0.321 0.000 1.364 413 F HN 0.194 nan 8.300 nan 0.000 0.475 414 F N 0.467 120.422 119.950 0.008 0.000 2.613 414 F HA 0.767 5.294 4.527 0.000 0.000 0.314 414 F C -0.466 175.392 175.800 0.097 0.000 1.075 414 F CA -0.881 57.090 58.000 -0.049 0.000 0.945 414 F CB 2.399 41.330 39.000 -0.115 0.000 1.310 414 F HN 0.707 nan 8.300 nan 0.000 0.467 415 R N 1.334 121.998 120.500 0.273 0.000 2.564 415 R HA 0.325 4.665 4.340 0.000 0.000 0.284 415 R C -1.381 175.014 176.300 0.159 0.000 1.031 415 R CA -0.652 55.568 56.100 0.201 0.000 0.904 415 R CB 1.815 32.226 30.300 0.185 0.000 1.199 415 R HN 0.794 nan 8.270 nan 0.000 0.443 416 E N 5.282 125.553 120.200 0.119 0.000 2.360 416 E HA 0.174 4.524 4.350 0.000 0.000 0.269 416 E C -2.083 174.548 176.600 0.052 0.000 1.022 416 E CA -1.749 54.695 56.400 0.073 0.000 0.887 416 E CB 0.746 30.497 29.700 0.085 0.000 0.990 416 E HN 0.406 nan 8.360 nan 0.000 0.426 417 P HA 0.028 nan 4.420 nan 0.000 0.275 417 P C 0.029 177.352 177.300 0.038 0.000 1.227 417 P CA -0.151 62.978 63.100 0.049 0.000 0.781 417 P CB 1.135 32.831 31.700 -0.007 0.000 0.906 418 T N -0.334 114.264 114.554 0.074 0.000 2.901 418 T HA -0.028 4.322 4.350 0.000 0.000 0.252 418 T C 0.463 175.203 174.700 0.067 0.000 1.035 418 T CA 1.166 63.301 62.100 0.059 0.000 1.142 418 T CB -0.369 68.537 68.868 0.063 0.000 0.869 418 T HN 0.478 nan 8.240 nan 0.000 0.442 419 D N 1.098 121.557 120.400 0.099 0.000 2.428 419 D HA 0.182 4.822 4.640 0.000 0.000 0.221 419 D C 0.738 177.128 176.300 0.150 0.000 1.123 419 D CA -0.343 53.722 54.000 0.109 0.000 0.869 419 D CB 0.927 41.792 40.800 0.109 0.000 1.032 419 D HN -0.030 nan 8.370 nan 0.000 0.506 420 L N 4.490 125.784 121.223 0.118 0.000 2.156 420 L HA 0.002 4.342 4.340 0.000 0.000 0.208 420 L C 2.271 179.258 176.870 0.195 0.000 1.095 420 L CA 1.270 56.195 54.840 0.142 0.000 0.770 420 L CB -0.141 41.964 42.059 0.077 0.000 0.914 420 L HN 0.365 nan 8.230 nan 0.000 0.439 421 K N -1.022 119.464 120.400 0.142 0.000 2.002 421 K HA -0.265 4.055 4.320 0.000 0.000 0.209 421 K C 2.210 178.897 176.600 0.145 0.000 1.048 421 K CA 1.733 58.096 56.287 0.127 0.000 0.930 421 K CB -0.072 32.483 32.500 0.091 0.000 0.714 421 K HN 0.187 nan 8.250 nan 0.000 0.438 422 Q N 0.157 120.046 119.800 0.149 0.000 2.124 422 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 422 Q C 1.725 177.829 176.000 0.174 0.000 0.977 422 Q CA 1.526 57.415 55.803 0.143 0.000 0.850 422 Q CB -0.399 28.419 28.738 0.132 0.000 0.901 422 Q HN 0.366 nan 8.270 nan 0.000 0.429 423 F N 0.896 120.912 119.950 0.109 0.000 2.065 423 F HA -0.263 4.264 4.527 0.000 0.000 0.298 423 F C 1.730 177.598 175.800 0.113 0.000 1.112 423 F CA 1.797 59.887 58.000 0.150 0.000 1.212 423 F CB -0.115 38.970 39.000 0.141 0.000 0.975 423 F HN 0.000 nan 8.300 nan 0.000 0.476 424 K N -0.072 120.479 120.400 0.252 0.000 2.074 424 K HA -0.220 4.100 4.320 0.000 0.000 0.209 424 K C 2.027 178.584 176.600 -0.071 0.000 1.048 424 K CA 1.639 57.990 56.287 0.107 0.000 0.926 424 K CB -0.529 32.048 32.500 0.128 0.000 0.713 424 K HN 0.446 nan 8.250 nan 0.000 0.444 425 Q N 0.742 120.530 119.800 -0.021 0.000 2.049 425 Q HA -0.108 4.232 4.340 0.000 0.000 0.198 425 Q C 1.732 177.696 176.000 -0.060 0.000 0.971 425 Q CA 1.161 56.972 55.803 0.014 0.000 0.833 425 Q CB -0.335 28.482 28.738 0.132 0.000 0.896 425 Q HN 0.308 nan 8.270 nan 0.000 0.434 426 D N 1.122 121.429 120.400 -0.155 0.000 2.158 426 D HA -0.151 4.489 4.640 0.000 0.000 0.197 426 D C 1.696 177.455 176.300 -0.901 0.000 0.995 426 D CA 1.492 55.263 54.000 -0.383 0.000 0.846 426 D CB -0.176 40.450 40.800 -0.289 0.000 0.941 426 D HN 0.271 nan 8.370 nan 0.000 0.456 427 A N 0.567 122.878 122.820 -0.850 0.000 1.930 427 A HA -0.142 4.178 4.320 0.000 0.000 0.217 427 A C 2.074 179.399 177.584 -0.431 0.000 1.175 427 A CA 1.112 52.745 52.037 -0.674 0.000 0.627 427 A CB -0.115 18.673 19.000 -0.354 0.000 0.815 427 A HN -0.021 nan 8.150 nan 0.000 0.443 428 K N -1.603 118.528 120.400 -0.449 0.000 2.167 428 K HA 0.004 4.324 4.320 0.000 0.000 0.203 428 K C 0.998 177.227 176.600 -0.618 0.000 1.052 428 K CA 1.140 57.073 56.287 -0.590 0.000 0.956 428 K CB -0.173 31.793 32.500 -0.890 0.000 0.735 428 K HN 0.661 nan 8.250 nan 0.000 0.451 429 Y N -1.138 119.039 120.300 -0.205 0.000 2.430 429 Y HA 0.188 4.738 4.550 0.000 0.000 0.248 429 Y C 2.122 177.903 175.900 -0.199 0.000 1.108 429 Y CA -0.084 57.919 58.100 -0.162 0.000 1.264 429 Y CB 0.801 39.198 38.460 -0.104 0.000 1.172 429 Y HN -0.095 nan 8.280 nan 0.000 0.520 430 S N -1.222 114.382 115.700 -0.161 0.000 3.597 430 S HA 0.018 4.488 4.470 0.000 0.000 0.206 430 S C 1.327 175.816 174.600 -0.186 0.000 0.948 430 S CA 0.574 58.676 58.200 -0.163 0.000 0.863 430 S CB -0.363 62.848 63.200 0.018 0.000 1.015 430 S HN 0.516 nan 8.310 nan 0.000 0.616 431 H N -0.484 118.575 119.070 -0.017 0.000 2.648 431 H HA 0.511 5.068 4.556 0.000 0.000 0.265 431 H C 1.197 176.623 175.328 0.164 0.000 0.961 431 H CA 0.609 56.732 56.048 0.125 0.000 1.185 431 H CB -0.714 29.156 29.762 0.180 0.000 1.449 431 H HN 0.535 nan 8.280 nan 0.000 0.523 432 G N 1.222 110.099 108.800 0.129 0.000 2.341 432 G HA2 -0.314 3.646 3.960 0.000 0.000 0.292 432 G HA3 -0.314 3.646 3.960 0.000 0.000 0.292 432 G C -0.107 174.907 174.900 0.190 0.000 1.021 432 G CA 0.658 45.821 45.100 0.105 0.000 0.905 432 G HN 0.527 nan 8.290 nan 0.000 0.508 433 I N 0.272 121.038 120.570 0.326 0.000 2.331 433 I HA 0.202 4.372 4.170 0.000 0.000 0.292 433 I C 0.165 176.432 176.117 0.251 0.000 0.998 433 I CA -0.802 60.595 61.300 0.161 0.000 1.267 433 I CB 1.274 39.283 38.000 0.015 0.000 1.386 433 I HN 0.014 nan 8.210 nan 0.000 0.476 434 D N 5.813 126.288 120.400 0.125 0.000 2.339 434 D HA 0.007 4.648 4.640 0.000 0.000 0.256 434 D C 0.946 177.264 176.300 0.030 0.000 1.214 434 D CA 0.139 54.192 54.000 0.088 0.000 0.877 434 D CB 1.597 42.383 40.800 -0.024 0.000 1.111 434 D HN 0.340 nan 8.370 nan 0.000 0.478 435 V N 4.165 124.103 119.914 0.039 0.000 2.370 435 V HA -0.318 3.802 4.120 0.000 0.000 0.252 435 V C 2.348 178.080 176.094 -0.604 0.000 1.068 435 V CA 3.215 65.298 62.300 -0.362 0.000 1.061 435 V CB -0.690 30.822 31.823 -0.518 0.000 0.656 435 V HN 0.883 nan 8.190 nan 0.000 0.455 436 T N -3.017 111.148 114.554 -0.648 0.000 2.803 436 T HA -0.225 4.125 4.350 0.000 0.000 0.269 436 T C 1.591 175.810 174.700 -0.802 0.000 1.052 436 T CA 1.643 63.090 62.100 -1.089 0.000 1.136 436 T CB -0.618 67.905 68.868 -0.575 0.000 0.864 436 T HN 0.561 nan 8.240 nan 0.000 0.467 437 D N 1.132 121.283 120.400 -0.415 0.000 2.310 437 D HA 0.067 4.707 4.640 0.000 0.000 0.212 437 D C 1.856 178.038 176.300 -0.197 0.000 0.965 437 D CA 0.549 54.397 54.000 -0.253 0.000 0.879 437 D CB -0.085 40.603 40.800 -0.187 0.000 0.921 437 D HN 0.454 nan 8.370 nan 0.000 0.510 438 L N -0.183 120.900 121.223 -0.233 0.000 2.492 438 L HA -0.014 4.326 4.340 0.000 0.000 0.223 438 L C 1.846 178.814 176.870 0.163 0.000 1.132 438 L CA -0.008 54.795 54.840 -0.062 0.000 0.850 438 L CB -0.186 41.845 42.059 -0.048 0.000 0.966 438 L HN -0.097 nan 8.230 nan 0.000 0.454 439 F N 0.845 120.783 119.950 -0.020 0.000 2.216 439 F HA -0.145 4.382 4.527 0.000 0.000 0.300 439 F C 2.470 178.295 175.800 0.041 0.000 1.085 439 F CA 0.645 58.644 58.000 -0.002 0.000 1.326 439 F CB -1.173 37.818 39.000 -0.015 0.000 1.027 439 F HN 0.059 nan 8.300 nan 0.000 0.497 440 A N -0.370 122.602 122.820 0.253 0.000 2.238 440 A HA 0.051 4.371 4.320 0.000 0.000 0.208 440 A C 1.098 178.907 177.584 0.374 0.000 1.177 440 A CA 0.647 52.835 52.037 0.251 0.000 0.804 440 A CB -1.245 17.852 19.000 0.162 0.000 0.823 440 A HN 0.289 nan 8.150 nan 0.000 0.482 441 T N -1.948 112.770 114.554 0.273 0.000 2.889 441 T HA 0.447 4.797 4.350 0.000 0.000 0.291 441 T C -0.142 174.615 174.700 0.095 0.000 0.995 441 T CA -0.595 61.588 62.100 0.139 0.000 1.092 441 T CB 1.140 70.044 68.868 0.061 0.000 0.954 441 T HN 0.204 nan 8.240 nan 0.000 0.506 442 Q N 3.457 123.277 119.800 0.033 0.000 2.286 442 Q HA 0.338 4.678 4.340 0.000 0.000 0.267 442 Q C -2.405 173.602 176.000 0.012 0.000 1.028 442 Q CA -1.414 54.400 55.803 0.017 0.000 0.901 442 Q CB 0.401 29.125 28.738 -0.024 0.000 1.183 442 Q HN 0.496 nan 8.270 nan 0.000 0.392 443 P HA 0.379 nan 4.420 nan 0.000 0.286 443 P C -0.043 177.246 177.300 -0.018 0.000 1.261 443 P CA 0.016 63.126 63.100 0.016 0.000 0.821 443 P CB 1.499 33.211 31.700 0.021 0.000 1.013 444 G N 0.950 109.740 108.800 -0.016 0.000 2.179 444 G HA2 -0.233 3.728 3.960 0.000 0.000 0.220 444 G HA3 -0.233 3.728 3.960 0.000 0.000 0.220 444 G C 0.674 175.508 174.900 -0.110 0.000 0.990 444 G CA 0.105 45.180 45.100 -0.041 0.000 0.646 444 G HN 0.457 nan 8.290 nan 0.000 0.517 445 L N 0.765 121.864 121.223 -0.206 0.000 2.217 445 L HA 0.042 4.382 4.340 0.000 0.000 0.211 445 L C 3.002 179.587 176.870 -0.475 0.000 1.107 445 L CA 1.903 56.435 54.840 -0.513 0.000 0.783 445 L CB -0.532 40.919 42.059 -1.014 0.000 0.919 445 L HN 0.303 nan 8.230 nan 0.000 0.442 446 T N -1.048 113.485 114.554 -0.034 0.000 2.635 446 T HA -0.211 4.139 4.350 0.000 0.000 0.267 446 T C 2.140 176.889 174.700 0.082 0.000 1.040 446 T CA 1.920 64.157 62.100 0.228 0.000 1.156 446 T CB -0.203 68.815 68.868 0.250 0.000 0.863 446 T HN 0.263 nan 8.240 nan 0.000 0.430 447 S N 1.103 116.817 115.700 0.023 0.000 2.355 447 S HA 0.030 4.500 4.470 0.000 0.000 0.222 447 S C 2.611 177.195 174.600 -0.027 0.000 1.031 447 S CA 0.923 59.127 58.200 0.007 0.000 0.993 447 S CB -0.618 62.585 63.200 0.004 0.000 0.859 447 S HN 0.584 nan 8.310 nan 0.000 0.453 448 A N 0.999 123.772 122.820 -0.077 0.000 1.877 448 A HA -0.060 4.260 4.320 0.000 0.000 0.216 448 A C 2.348 179.872 177.584 -0.101 0.000 1.186 448 A CA 1.617 53.595 52.037 -0.097 0.000 0.620 448 A CB -0.901 18.015 19.000 -0.140 0.000 0.822 448 A HN 0.344 nan 8.150 nan 0.000 0.443 449 V N -0.081 119.745 119.914 -0.148 0.000 2.323 449 V HA -0.191 3.929 4.120 0.000 0.000 0.244 449 V C 2.405 178.498 176.094 -0.002 0.000 1.041 449 V CA 1.804 64.043 62.300 -0.102 0.000 1.025 449 V CB -0.535 31.193 31.823 -0.158 0.000 0.656 449 V HN 0.558 nan 8.190 nan 0.000 0.451 450 I N 0.174 120.766 120.570 0.036 0.000 2.286 450 I HA -0.216 3.954 4.170 0.000 0.000 0.248 450 I C 2.084 178.214 176.117 0.022 0.000 1.115 450 I CA 1.410 62.740 61.300 0.050 0.000 1.392 450 I CB -0.386 37.657 38.000 0.071 0.000 1.065 450 I HN 0.316 nan 8.210 nan 0.000 0.418 451 D N 0.893 121.297 120.400 0.007 0.000 2.264 451 D HA -0.083 4.557 4.640 0.000 0.000 0.208 451 D C 2.039 178.337 176.300 -0.005 0.000 0.966 451 D CA 1.154 55.154 54.000 0.001 0.000 0.864 451 D CB 0.047 40.845 40.800 -0.005 0.000 0.933 451 D HN 0.347 nan 8.370 nan 0.000 0.499 452 A N -0.011 122.802 122.820 -0.012 0.000 2.195 452 A HA 0.134 4.454 4.320 0.000 0.000 0.210 452 A C 1.077 178.656 177.584 -0.009 0.000 1.165 452 A CA -0.185 51.842 52.037 -0.016 0.000 0.806 452 A CB -0.210 18.771 19.000 -0.032 0.000 0.847 452 A HN 0.135 nan 8.150 nan 0.000 0.482 453 L N 1.860 123.083 121.223 -0.000 0.000 2.559 453 L HA 0.108 4.448 4.340 0.000 0.000 0.282 453 L C -1.940 174.926 176.870 -0.006 0.000 1.232 453 L CA -1.226 53.614 54.840 0.001 0.000 0.885 453 L CB 0.063 42.129 42.059 0.011 0.000 1.131 453 L HN 0.180 nan 8.230 nan 0.000 0.498 454 P HA 0.160 nan 4.420 nan 0.000 0.275 454 P C -0.656 176.635 177.300 -0.014 0.000 1.228 454 P CA -0.655 62.436 63.100 -0.015 0.000 0.786 454 P CB 0.693 32.377 31.700 -0.027 0.000 0.927 455 R N 2.592 123.087 120.500 -0.009 0.000 2.679 455 R HA 0.073 4.413 4.340 0.000 0.000 0.268 455 R C 0.704 176.995 176.300 -0.014 0.000 1.044 455 R CA 0.462 56.557 56.100 -0.009 0.000 1.105 455 R CB -0.666 29.631 30.300 -0.004 0.000 0.989 455 R HN 0.465 nan 8.270 nan 0.000 0.447 456 N N 1.230 119.921 118.700 -0.016 0.000 2.721 456 N HA -0.271 4.469 4.740 0.000 0.000 0.249 456 N C -0.609 174.882 175.510 -0.031 0.000 1.072 456 N CA 1.038 54.075 53.050 -0.021 0.000 0.710 456 N CB -1.192 37.285 38.487 -0.017 0.000 0.993 456 N HN 0.610 nan 8.380 nan 0.000 0.547 457 M N 0.398 119.978 119.600 -0.034 0.000 2.241 457 M HA 0.212 4.692 4.480 0.000 0.000 0.335 457 M C -0.090 176.179 176.300 -0.052 0.000 1.122 457 M CA -0.190 55.082 55.300 -0.047 0.000 1.164 457 M CB 0.924 33.498 32.600 -0.043 0.000 1.459 457 M HN -0.073 nan 8.290 nan 0.000 0.461 458 V N 5.894 125.766 119.914 -0.070 0.000 2.417 458 V HA 0.461 4.581 4.120 0.000 0.000 0.291 458 V C -0.202 175.827 176.094 -0.109 0.000 1.024 458 V CA -0.617 61.633 62.300 -0.085 0.000 0.861 458 V CB 1.318 33.086 31.823 -0.093 0.000 0.985 458 V HN 0.707 nan 8.190 nan 0.000 0.436 459 I N 3.538 124.044 120.570 -0.107 0.000 2.404 459 I HA 0.410 4.580 4.170 0.000 0.000 0.293 459 I C 0.176 176.178 176.117 -0.191 0.000 0.992 459 I CA -0.166 61.063 61.300 -0.119 0.000 1.149 459 I CB 2.295 40.263 38.000 -0.053 0.000 1.315 459 I HN 0.552 nan 8.210 nan 0.000 0.446 460 T N 5.244 119.600 114.554 -0.330 0.000 2.837 460 T HA 0.539 4.889 4.350 0.000 0.000 0.285 460 T C -0.271 174.195 174.700 -0.390 0.000 0.984 460 T CA -0.450 61.306 62.100 -0.573 0.000 1.049 460 T CB 1.022 69.166 68.868 -1.207 0.000 0.947 460 T HN 0.813 nan 8.240 nan 0.000 0.472 461 C N 2.124 121.288 119.300 -0.227 0.000 3.332 461 C HA 0.661 5.121 4.460 0.000 0.000 0.329 461 C C 1.215 176.321 174.990 0.193 0.000 1.434 461 C CA -0.819 58.294 59.018 0.158 0.000 1.314 461 C CB 1.345 29.159 27.740 0.122 0.000 1.664 461 C HN 0.773 nan 8.230 nan 0.000 0.457 462 Q N 1.619 121.573 119.800 0.257 0.000 2.036 462 Q HA 0.328 4.668 4.340 0.000 0.000 0.195 462 Q C 0.850 176.842 176.000 -0.013 0.000 0.971 462 Q CA 2.062 57.880 55.803 0.025 0.000 0.826 462 Q CB -0.528 28.033 28.738 -0.296 0.000 0.896 462 Q HN 1.197 nan 8.270 nan 0.000 0.449 463 G N -0.145 108.668 108.800 0.021 0.000 2.437 463 G HA2 0.409 4.369 3.960 0.000 0.000 0.315 463 G HA3 0.409 4.369 3.960 0.000 0.000 0.315 463 G C -0.146 174.769 174.900 0.026 0.000 1.210 463 G CA -0.213 44.894 45.100 0.011 0.000 0.943 463 G HN 0.236 nan 8.290 nan 0.000 0.471 464 S N 1.734 117.439 115.700 0.008 0.000 2.382 464 S HA -0.111 4.360 4.470 0.000 0.000 0.228 464 S C 2.060 176.669 174.600 0.015 0.000 1.027 464 S CA 1.361 59.564 58.200 0.006 0.000 0.991 464 S CB -0.030 63.163 63.200 -0.012 0.000 0.823 464 S HN 0.680 nan 8.310 nan 0.000 0.469 465 D N 1.703 122.112 120.400 0.015 0.000 2.123 465 D HA -0.151 4.489 4.640 0.000 0.000 0.196 465 D C 1.607 177.924 176.300 0.028 0.000 0.992 465 D CA 1.513 55.524 54.000 0.018 0.000 0.833 465 D CB -0.615 40.195 40.800 0.016 0.000 0.954 465 D HN 0.609 nan 8.370 nan 0.000 0.455 466 D N 0.918 121.341 120.400 0.037 0.000 2.123 466 D HA -0.138 4.502 4.640 0.000 0.000 0.200 466 D C 2.054 178.384 176.300 0.050 0.000 0.976 466 D CA 0.312 54.341 54.000 0.048 0.000 0.831 466 D CB -0.519 40.317 40.800 0.060 0.000 0.974 466 D HN 0.115 nan 8.370 nan 0.000 0.469 467 I N 0.919 121.519 120.570 0.050 0.000 2.127 467 I HA -0.185 3.985 4.170 0.000 0.000 0.241 467 I C 2.634 178.772 176.117 0.035 0.000 1.075 467 I CA 0.922 62.251 61.300 0.047 0.000 1.334 467 I CB -1.203 36.827 38.000 0.050 0.000 1.040 467 I HN 0.087 nan 8.210 nan 0.000 0.405 468 R N 1.114 121.629 120.500 0.025 0.000 2.112 468 R HA -0.268 4.072 4.340 0.000 0.000 0.242 468 R C 2.391 178.705 176.300 0.024 0.000 1.137 468 R CA 2.370 58.481 56.100 0.018 0.000 0.944 468 R CB -0.278 30.029 30.300 0.012 0.000 0.857 468 R HN 0.259 nan 8.270 nan 0.000 0.435 469 K N 0.001 120.417 120.400 0.028 0.000 2.034 469 K HA -0.224 4.096 4.320 0.000 0.000 0.214 469 K C 2.130 178.752 176.600 0.036 0.000 1.051 469 K CA 1.973 58.279 56.287 0.031 0.000 0.931 469 K CB -0.333 32.188 32.500 0.036 0.000 0.715 469 K HN 0.211 nan 8.250 nan 0.000 0.446 470 L N 1.330 122.578 121.223 0.043 0.000 2.017 470 L HA -0.131 4.209 4.340 0.000 0.000 0.208 470 L C 1.965 178.862 176.870 0.045 0.000 1.073 470 L CA 1.537 56.406 54.840 0.048 0.000 0.745 470 L CB -0.361 41.731 42.059 0.055 0.000 0.894 470 L HN 0.255 nan 8.230 nan 0.000 0.432 471 L N -0.683 120.564 121.223 0.039 0.000 2.046 471 L HA -0.205 4.135 4.340 0.000 0.000 0.208 471 L C 2.489 179.376 176.870 0.028 0.000 1.077 471 L CA 1.502 56.363 54.840 0.035 0.000 0.747 471 L CB -0.876 41.200 42.059 0.028 0.000 0.896 471 L HN 0.329 nan 8.230 nan 0.000 0.432 472 E N 0.424 120.639 120.200 0.025 0.000 2.086 472 E HA -0.300 4.050 4.350 0.000 0.000 0.205 472 E C 2.302 178.917 176.600 0.024 0.000 1.027 472 E CA 2.072 58.485 56.400 0.021 0.000 0.830 472 E CB -0.242 29.470 29.700 0.020 0.000 0.751 472 E HN 0.570 nan 8.360 nan 0.000 0.456 473 S N 0.434 116.152 115.700 0.030 0.000 2.419 473 S HA -0.149 4.321 4.470 0.000 0.000 0.233 473 S C 1.655 176.275 174.600 0.032 0.000 1.016 473 S CA 0.841 59.061 58.200 0.032 0.000 0.974 473 S CB 0.034 63.257 63.200 0.039 0.000 0.786 473 S HN 0.140 nan 8.310 nan 0.000 0.492 474 Q N 0.435 120.256 119.800 0.035 0.000 2.280 474 Q HA 0.306 4.646 4.340 0.000 0.000 0.201 474 Q C 1.324 177.339 176.000 0.025 0.000 0.890 474 Q CA 0.592 56.416 55.803 0.034 0.000 0.947 474 Q CB 0.354 29.119 28.738 0.045 0.000 1.081 474 Q HN 0.805 nan 8.270 nan 0.000 0.502 475 G N 1.827 110.640 108.800 0.022 0.000 2.157 475 G HA2 -0.205 3.755 3.960 0.000 0.000 0.239 475 G HA3 -0.205 3.755 3.960 0.000 0.000 0.239 475 G C 0.116 175.024 174.900 0.014 0.000 0.982 475 G CA -0.336 44.774 45.100 0.016 0.000 0.650 475 G HN 0.101 nan 8.290 nan 0.000 0.527 476 R N 0.515 121.025 120.500 0.016 0.000 2.937 476 R HA 0.370 4.710 4.340 0.000 0.000 0.264 476 R C 1.214 177.521 176.300 0.010 0.000 1.334 476 R CA -0.491 55.616 56.100 0.013 0.000 1.516 476 R CB 0.572 30.881 30.300 0.016 0.000 1.187 476 R HN 0.354 nan 8.270 nan 0.000 0.609 477 K N 0.769 121.174 120.400 0.008 0.000 2.228 477 K HA -0.092 4.228 4.320 0.000 0.000 0.202 477 K C 1.211 177.812 176.600 0.000 0.000 1.051 477 K CA 1.158 57.448 56.287 0.005 0.000 0.960 477 K CB 0.372 32.874 32.500 0.005 0.000 0.743 477 K HN 0.467 nan 8.250 nan 0.000 0.458 478 D N 1.044 121.444 120.400 -0.001 0.000 2.218 478 D HA -0.169 4.471 4.640 0.000 0.000 0.204 478 D C 0.702 176.996 176.300 -0.009 0.000 0.976 478 D CA 0.619 54.617 54.000 -0.005 0.000 0.853 478 D CB -0.212 40.585 40.800 -0.004 0.000 0.939 478 D HN 0.150 nan 8.370 nan 0.000 0.481 479 I N 1.699 122.265 120.570 -0.008 0.000 2.505 479 I HA -0.030 4.140 4.170 0.000 0.000 0.287 479 I C 0.966 177.071 176.117 -0.020 0.000 1.104 479 I CA -0.217 61.074 61.300 -0.014 0.000 1.387 479 I CB 0.493 38.487 38.000 -0.009 0.000 1.404 479 I HN -0.119 nan 8.210 nan 0.000 0.528 480 K N 7.500 127.882 120.400 -0.029 0.000 2.382 480 K HA 0.356 4.676 4.320 0.000 0.000 0.275 480 K C -1.033 175.538 176.600 -0.049 0.000 1.009 480 K CA -0.164 56.101 56.287 -0.037 0.000 0.970 480 K CB 0.609 33.084 32.500 -0.042 0.000 0.934 480 K HN 0.557 nan 8.250 nan 0.000 0.479 481 L N 5.761 126.953 121.223 -0.050 0.000 2.365 481 L HA 0.488 4.828 4.340 0.000 0.000 0.273 481 L C -0.390 176.431 176.870 -0.082 0.000 1.000 481 L CA -1.006 53.796 54.840 -0.064 0.000 0.819 481 L CB 1.795 43.829 42.059 -0.042 0.000 1.284 481 L HN 0.605 nan 8.230 nan 0.000 0.418 482 I N 2.048 122.546 120.570 -0.122 0.000 2.362 482 I HA 0.210 4.380 4.170 0.000 0.000 0.289 482 I C -0.545 175.487 176.117 -0.142 0.000 0.994 482 I CA -0.400 60.816 61.300 -0.140 0.000 1.158 482 I CB 1.829 39.712 38.000 -0.195 0.000 1.315 482 I HN 0.496 nan 8.210 nan 0.000 0.451 483 D N 6.865 127.207 120.400 -0.097 0.000 2.280 483 D HA 0.216 4.856 4.640 0.000 0.000 0.243 483 D C 0.770 177.024 176.300 -0.077 0.000 1.129 483 D CA -0.271 53.684 54.000 -0.074 0.000 0.848 483 D CB 1.291 42.063 40.800 -0.045 0.000 1.107 483 D HN 0.271 nan 8.370 nan 0.000 0.471 484 I N 3.196 123.725 120.570 -0.068 0.000 2.400 484 I HA 0.014 4.184 4.170 0.000 0.000 0.248 484 I C 1.411 177.515 176.117 -0.022 0.000 1.109 484 I CA 0.720 62.002 61.300 -0.031 0.000 1.425 484 I CB -1.630 36.409 38.000 0.066 0.000 1.094 484 I HN 0.694 nan 8.210 nan 0.000 0.425 485 A N 1.426 124.221 122.820 -0.040 0.000 2.519 485 A HA -0.210 4.110 4.320 0.000 0.000 0.297 485 A C 0.309 177.860 177.584 -0.055 0.000 1.472 485 A CA 0.217 52.222 52.037 -0.052 0.000 0.739 485 A CB -2.431 16.547 19.000 -0.037 0.000 1.096 485 A HN 0.363 nan 8.150 nan 0.000 0.414 486 L N 1.046 122.214 121.223 -0.091 0.000 2.439 486 L HA 0.388 4.728 4.340 0.000 0.000 0.269 486 L C 1.504 178.321 176.870 -0.090 0.000 1.179 486 L CA 0.452 55.239 54.840 -0.087 0.000 0.828 486 L CB 1.069 43.044 42.059 -0.141 0.000 1.106 486 L HN 0.878 nan 8.230 nan 0.000 0.467 487 S N 1.912 117.581 115.700 -0.051 0.000 2.596 487 S HA 0.067 4.537 4.470 0.000 0.000 0.260 487 S C 0.954 175.526 174.600 -0.046 0.000 1.336 487 S CA -0.353 57.823 58.200 -0.041 0.000 0.993 487 S CB 0.834 64.022 63.200 -0.020 0.000 0.923 487 S HN 0.693 nan 8.310 nan 0.000 0.567 488 K N 0.164 120.546 120.400 -0.029 0.000 2.057 488 K HA -0.093 4.227 4.320 0.000 0.000 0.206 488 K C 2.069 178.672 176.600 0.005 0.000 1.050 488 K CA 1.759 58.036 56.287 -0.016 0.000 0.935 488 K CB -0.872 31.628 32.500 -0.001 0.000 0.715 488 K HN 0.813 nan 8.250 nan 0.000 0.439 489 T N 1.464 116.021 114.554 0.005 0.000 2.737 489 T HA -0.118 4.232 4.350 0.000 0.000 0.265 489 T C 1.249 175.958 174.700 0.016 0.000 1.038 489 T CA 1.499 63.605 62.100 0.011 0.000 1.144 489 T CB -0.325 68.545 68.868 0.003 0.000 0.866 489 T HN 0.242 nan 8.240 nan 0.000 0.434 490 D N 1.684 122.091 120.400 0.012 0.000 2.117 490 D HA -0.087 4.553 4.640 0.000 0.000 0.197 490 D C 2.510 178.845 176.300 0.059 0.000 0.987 490 D CA 1.586 55.603 54.000 0.029 0.000 0.829 490 D CB -0.548 40.265 40.800 0.021 0.000 0.961 490 D HN 0.518 nan 8.370 nan 0.000 0.460 491 S N -0.208 115.509 115.700 0.028 0.000 2.447 491 S HA -0.065 4.405 4.470 0.000 0.000 0.233 491 S C 1.674 176.419 174.600 0.242 0.000 1.006 491 S CA 0.590 58.823 58.200 0.056 0.000 0.957 491 S CB -0.030 63.059 63.200 -0.185 0.000 0.773 491 S HN 0.140 nan 8.310 nan 0.000 0.507 492 R N 0.222 120.815 120.500 0.154 0.000 2.577 492 R HA 0.339 4.679 4.340 0.000 0.000 0.344 492 R C 1.669 178.014 176.300 0.075 0.000 1.037 492 R CA -0.165 56.021 56.100 0.143 0.000 1.102 492 R CB 0.126 30.500 30.300 0.124 0.000 1.313 492 R HN 0.368 nan 8.270 nan 0.000 0.561 493 K N 0.157 120.580 120.400 0.038 0.000 2.103 493 K HA -0.161 4.160 4.320 0.000 0.000 0.207 493 K C 0.309 176.732 176.600 -0.295 0.000 1.048 493 K CA 1.570 57.771 56.287 -0.143 0.000 0.930 493 K CB 0.101 32.474 32.500 -0.212 0.000 0.716 493 K HN 0.233 nan 8.250 nan 0.000 0.444 494 Y N 0.530 120.843 120.300 0.021 0.000 2.532 494 Y HA 0.122 4.672 4.550 0.000 0.000 0.283 494 Y C 1.659 177.559 175.900 -0.000 0.000 1.181 494 Y CA -0.217 57.886 58.100 0.005 0.000 1.256 494 Y CB 0.288 38.739 38.460 -0.015 0.000 1.112 494 Y HN 0.211 nan 8.280 nan 0.000 0.521 495 E N 0.807 121.074 120.200 0.112 0.000 2.058 495 E HA -0.240 4.110 4.350 0.000 0.000 0.194 495 E C 1.499 178.231 176.600 0.220 0.000 0.997 495 E CA 1.608 58.090 56.400 0.137 0.000 0.801 495 E CB 0.121 29.919 29.700 0.163 0.000 0.746 495 E HN 0.408 nan 8.360 nan 0.000 0.450 496 N N -0.057 118.738 118.700 0.159 0.000 2.300 496 N HA -0.057 4.684 4.740 0.000 0.000 0.179 496 N C 1.530 177.123 175.510 0.139 0.000 1.016 496 N CA 1.066 54.213 53.050 0.161 0.000 0.876 496 N CB -0.261 38.272 38.487 0.076 0.000 0.979 496 N HN 0.221 nan 8.380 nan 0.000 0.432 497 A N 0.610 123.497 122.820 0.112 0.000 1.902 497 A HA -0.071 4.249 4.320 0.000 0.000 0.217 497 A C 2.443 180.074 177.584 0.078 0.000 1.181 497 A CA 1.243 53.343 52.037 0.105 0.000 0.623 497 A CB -0.662 18.451 19.000 0.189 0.000 0.818 497 A HN 0.095 nan 8.150 nan 0.000 0.443 498 V N -2.377 117.579 119.914 0.070 0.000 2.379 498 V HA -0.251 3.869 4.120 0.000 0.000 0.245 498 V C 2.237 178.305 176.094 -0.045 0.000 1.044 498 V CA 1.640 63.935 62.300 -0.008 0.000 1.036 498 V CB -0.994 30.720 31.823 -0.181 0.000 0.664 498 V HN 0.791 nan 8.190 nan 0.000 0.453 499 W N 0.352 121.642 121.300 -0.016 0.000 2.388 499 W HA -0.126 4.534 4.660 0.000 0.000 0.294 499 W C 2.277 178.763 176.519 -0.054 0.000 1.212 499 W CA 1.196 58.517 57.345 -0.040 0.000 1.271 499 W CB -0.359 29.071 29.460 -0.049 0.000 1.126 499 W HN 0.260 nan 8.180 nan 0.000 0.535 500 D N -0.614 119.882 120.400 0.161 0.000 2.149 500 D HA -0.241 4.399 4.640 0.000 0.000 0.198 500 D C 1.933 178.199 176.300 -0.057 0.000 0.990 500 D CA 1.505 55.534 54.000 0.048 0.000 0.839 500 D CB -0.436 40.379 40.800 0.026 0.000 0.948 500 D HN 0.272 nan 8.370 nan 0.000 0.460 501 Q N -1.406 118.292 119.800 -0.170 0.000 2.250 501 Q HA -0.049 4.291 4.340 0.000 0.000 0.200 501 Q C 0.448 176.063 176.000 -0.641 0.000 0.941 501 Q CA 0.664 56.178 55.803 -0.482 0.000 0.872 501 Q CB 0.312 28.602 28.738 -0.747 0.000 0.965 501 Q HN 0.328 nan 8.270 nan 0.000 0.480 502 Y N -0.866 119.367 120.300 -0.111 0.000 2.707 502 Y HA 0.211 4.761 4.550 0.000 0.000 0.249 502 Y C 1.159 176.967 175.900 -0.152 0.000 1.166 502 Y CA -0.370 57.617 58.100 -0.187 0.000 1.184 502 Y CB 0.611 38.860 38.460 -0.352 0.000 1.240 502 Y HN -0.010 nan 8.280 nan 0.000 0.547 503 K N 1.268 121.723 120.400 0.092 0.000 2.097 503 K HA -0.204 4.116 4.320 0.000 0.000 0.206 503 K C 1.435 178.035 176.600 0.000 0.000 1.049 503 K CA 2.151 58.551 56.287 0.188 0.000 0.933 503 K CB -0.216 32.416 32.500 0.220 0.000 0.717 503 K HN 0.196 nan 8.250 nan 0.000 0.442 504 D N -0.322 120.079 120.400 0.001 0.000 2.351 504 D HA -0.080 4.560 4.640 0.000 0.000 0.216 504 D C 1.335 177.659 176.300 0.041 0.000 0.968 504 D CA 0.681 54.689 54.000 0.014 0.000 0.899 504 D CB 0.067 40.947 40.800 0.135 0.000 0.907 504 D HN 0.332 nan 8.370 nan 0.000 0.514 505 L N -1.075 120.156 121.223 0.013 0.000 2.492 505 L HA 0.133 4.473 4.340 0.000 0.000 0.223 505 L C 0.443 177.384 176.870 0.117 0.000 1.132 505 L CA -0.087 54.779 54.840 0.044 0.000 0.850 505 L CB 0.322 42.281 42.059 -0.167 0.000 0.966 505 L HN 0.162 nan 8.230 nan 0.000 0.454 506 C N -0.584 118.751 119.300 0.058 0.000 2.716 506 C HA 0.358 4.818 4.460 0.000 0.000 0.366 506 C C 0.624 175.703 174.990 0.148 0.000 1.073 506 C CA -0.564 58.619 59.018 0.275 0.000 1.260 506 C CB 0.744 28.725 27.740 0.400 0.000 1.755 506 C HN 0.321 nan 8.230 nan 0.000 0.475 507 H N 4.272 123.548 119.070 0.344 0.000 2.581 507 H HA 0.091 4.647 4.556 0.000 0.000 0.275 507 H C 1.175 176.581 175.328 0.130 0.000 1.126 507 H CA -0.040 56.140 56.048 0.220 0.000 1.097 507 H CB 0.636 30.479 29.762 0.135 0.000 1.626 507 H HN 0.607 nan 8.280 nan 0.000 0.565 508 M N 0.467 120.181 119.600 0.190 0.000 2.447 508 M HA -0.021 4.459 4.480 0.000 0.000 0.264 508 M C 0.403 176.593 176.300 -0.183 0.000 1.095 508 M CA 0.944 56.173 55.300 -0.118 0.000 1.125 508 M CB 0.009 32.420 32.600 -0.315 0.000 1.389 508 M HN 0.129 nan 8.290 nan 0.000 0.459 509 H N 0.263 119.425 119.070 0.153 0.000 2.818 509 H HA 0.290 4.847 4.556 0.000 0.000 0.269 509 H C 0.880 176.224 175.328 0.026 0.000 1.277 509 H CA 0.591 56.703 56.048 0.106 0.000 1.290 509 H CB -0.102 29.740 29.762 0.134 0.000 1.479 509 H HN 0.311 nan 8.280 nan 0.000 0.507 510 T N -0.666 113.935 114.554 0.078 0.000 2.990 510 T HA 0.154 4.504 4.350 0.000 0.000 0.250 510 T C 1.303 176.005 174.700 0.003 0.000 1.041 510 T CA -0.112 62.005 62.100 0.028 0.000 1.010 510 T CB 0.641 69.514 68.868 0.008 0.000 1.003 510 T HN 0.424 nan 8.240 nan 0.000 0.499 511 G N 1.279 110.085 108.800 0.010 0.000 2.448 511 G HA2 0.535 4.495 3.960 0.000 0.000 0.285 511 G HA3 0.535 4.495 3.960 0.000 0.000 0.285 511 G C -0.534 174.334 174.900 -0.054 0.000 1.176 511 G CA -0.522 44.564 45.100 -0.024 0.000 0.852 511 G HN 0.280 nan 8.290 nan 0.000 0.530 512 V N 0.753 120.622 119.914 -0.074 0.000 2.614 512 V HA 0.248 4.368 4.120 0.000 0.000 0.291 512 V C 0.242 176.261 176.094 -0.125 0.000 1.049 512 V CA -0.146 62.098 62.300 -0.092 0.000 1.038 512 V CB 1.230 33.004 31.823 -0.082 0.000 0.980 512 V HN 0.424 nan 8.190 nan 0.000 0.481 513 V N 5.737 125.573 119.914 -0.130 0.000 2.604 513 V HA 0.660 4.780 4.120 0.000 0.000 0.305 513 V C -0.113 175.914 176.094 -0.111 0.000 1.043 513 V CA -0.439 61.766 62.300 -0.158 0.000 0.888 513 V CB 1.993 33.703 31.823 -0.188 0.000 0.995 513 V HN 0.783 nan 8.190 nan 0.000 0.429 514 V N 1.229 121.096 119.914 -0.079 0.000 3.158 514 V HA 0.837 4.957 4.120 0.000 0.000 0.315 514 V C -0.733 175.432 176.094 0.119 0.000 1.148 514 V CA -0.703 61.602 62.300 0.008 0.000 1.042 514 V CB 2.164 33.992 31.823 0.009 0.000 1.101 514 V HN 0.939 nan 8.190 nan 0.000 0.448 515 E N 0.511 120.773 120.200 0.104 0.000 2.321 515 E HA 0.398 4.748 4.350 0.000 0.000 0.278 515 E C -1.283 175.355 176.600 0.063 0.000 0.902 515 E CA -0.886 55.569 56.400 0.092 0.000 0.758 515 E CB 2.228 31.963 29.700 0.057 0.000 1.213 515 E HN 0.896 nan 8.360 nan 0.000 0.426 516 K N 3.623 124.040 120.400 0.028 0.000 2.383 516 K HA 0.186 4.506 4.320 0.000 0.000 0.286 516 K C -0.081 176.521 176.600 0.004 0.000 1.051 516 K CA -0.202 56.089 56.287 0.008 0.000 0.974 516 K CB 0.433 32.912 32.500 -0.035 0.000 0.968 516 K HN 0.327 nan 8.250 nan 0.000 0.475 523 E N 1.210 121.421 120.200 0.019 0.000 2.356 523 E HA 0.322 4.672 4.350 0.000 0.000 0.275 523 E C -1.257 175.342 176.600 -0.002 0.000 0.904 523 E CA -0.999 55.404 56.400 0.005 0.000 0.757 523 E CB 2.244 31.947 29.700 0.004 0.000 1.232 523 E HN 0.579 nan 8.360 nan 0.000 0.442 524 E N 1.998 122.188 120.200 -0.018 0.000 2.366 524 E HA 0.422 4.772 4.350 0.000 0.000 0.266 524 E C -0.022 176.557 176.600 -0.036 0.000 1.051 524 E CA -0.273 56.105 56.400 -0.036 0.000 0.884 524 E CB 1.119 30.791 29.700 -0.047 0.000 1.006 524 E HN 0.479 nan 8.360 nan 0.000 0.417 525 I N -2.506 118.032 120.570 -0.054 0.000 3.191 525 I HA 0.407 4.577 4.170 0.000 0.000 0.313 525 I C -0.489 175.571 176.117 -0.095 0.000 1.193 525 I CA -1.147 60.124 61.300 -0.049 0.000 0.968 525 I CB 2.091 40.084 38.000 -0.012 0.000 1.262 525 I HN 0.154 nan 8.210 nan 0.000 0.456 526 T N 3.372 117.875 114.554 -0.085 0.000 2.870 526 T HA 0.304 4.654 4.350 0.000 0.000 0.300 526 T C -2.386 172.231 174.700 -0.138 0.000 0.989 526 T CA -0.508 61.494 62.100 -0.164 0.000 1.139 526 T CB 0.161 68.919 68.868 -0.184 0.000 0.920 526 T HN 0.435 nan 8.240 nan 0.000 0.537 527 P HA 0.093 nan 4.420 nan 0.000 0.268 527 P C -0.453 176.852 177.300 0.009 0.000 1.208 527 P CA -0.176 62.829 63.100 -0.158 0.000 0.777 527 P CB 0.224 31.880 31.700 -0.075 0.000 0.875 528 H N -0.115 118.985 119.070 0.051 0.000 2.668 528 H HA 0.350 4.906 4.556 0.000 0.000 0.303 528 H C -0.152 175.158 175.328 -0.030 0.000 1.074 528 H CA -0.844 55.237 56.048 0.056 0.000 1.406 528 H CB 0.511 30.327 29.762 0.090 0.000 1.442 528 H HN 0.407 nan 8.280 nan 0.000 0.482 529 C N 3.473 122.767 119.300 -0.011 0.000 2.351 529 C HA 0.545 5.005 4.460 0.000 0.000 0.326 529 C C 1.800 176.735 174.990 -0.092 0.000 1.272 529 C CA -0.240 58.709 59.018 -0.114 0.000 1.650 529 C CB -0.705 26.881 27.740 -0.256 0.000 2.257 529 C HN 1.006 nan 8.230 nan 0.000 0.505 530 A N 4.175 127.001 122.820 0.011 0.000 1.917 530 A HA -0.143 4.177 4.320 0.000 0.000 0.219 530 A C 1.865 179.291 177.584 -0.263 0.000 1.182 530 A CA 2.126 54.108 52.037 -0.092 0.000 0.633 530 A CB -0.578 18.403 19.000 -0.032 0.000 0.819 530 A HN 1.051 nan 8.150 nan 0.000 0.448 531 L N -0.970 120.022 121.223 -0.385 0.000 2.027 531 L HA -0.093 4.248 4.340 0.000 0.000 0.206 531 L C 2.318 178.767 176.870 -0.701 0.000 1.074 531 L CA 1.990 56.474 54.840 -0.594 0.000 0.745 531 L CB -0.552 40.974 42.059 -0.888 0.000 0.898 531 L HN 0.309 nan 8.230 nan 0.000 0.433 532 M N -0.863 118.291 119.600 -0.743 0.000 2.229 532 M HA -0.139 4.341 4.480 0.000 0.000 0.264 532 M C 1.830 177.662 176.300 -0.780 0.000 1.063 532 M CA 1.124 55.898 55.300 -0.876 0.000 1.114 532 M CB -1.429 30.416 32.600 -1.259 0.000 1.387 532 M HN 0.228 nan 8.290 nan 0.000 0.420 533 D N 0.252 120.216 120.400 -0.727 0.000 2.117 533 D HA -0.109 4.531 4.640 0.000 0.000 0.197 533 D C 2.206 177.796 176.300 -1.184 0.000 0.987 533 D CA 1.083 54.423 54.000 -1.101 0.000 0.829 533 D CB -0.368 39.897 40.800 -0.891 0.000 0.961 533 D HN 0.324 nan 8.370 nan 0.000 0.460 534 C N 0.414 119.310 119.300 -0.674 0.000 2.413 534 C HA -0.124 4.336 4.460 0.000 0.000 0.276 534 C C 2.834 177.438 174.990 -0.644 0.000 1.236 534 C CA 0.260 58.980 59.018 -0.496 0.000 1.735 534 C CB -1.005 26.636 27.740 -0.164 0.000 2.031 534 C HN 0.341 nan 8.230 nan 0.000 0.474 535 I N 1.359 121.516 120.570 -0.688 0.000 2.252 535 I HA -0.252 3.918 4.170 0.000 0.000 0.245 535 I C 2.633 178.471 176.117 -0.465 0.000 1.102 535 I CA 1.978 62.900 61.300 -0.631 0.000 1.385 535 I CB -0.471 37.017 38.000 -0.853 0.000 1.064 535 I HN 0.471 nan 8.210 nan 0.000 0.414 536 M N -0.290 119.003 119.600 -0.512 0.000 2.288 536 M HA -0.090 4.390 4.480 0.000 0.000 0.266 536 M C 1.818 178.018 176.300 -0.166 0.000 1.072 536 M CA 1.752 56.875 55.300 -0.295 0.000 1.132 536 M CB -0.358 32.093 32.600 -0.248 0.000 1.386 536 M HN -0.048 nan 8.290 nan 0.000 0.432 537 F N 1.748 121.409 119.950 -0.482 0.000 2.163 537 F HA -0.048 4.479 4.527 0.000 0.000 0.297 537 F C 2.166 177.541 175.800 -0.708 0.000 1.094 537 F CA 1.332 58.974 58.000 -0.596 0.000 1.290 537 F CB -1.518 36.991 39.000 -0.818 0.000 1.017 537 F HN 0.320 nan 8.300 nan 0.000 0.483 538 D N 0.131 120.033 120.400 -0.830 0.000 2.104 538 D HA -0.183 4.457 4.640 0.000 0.000 0.194 538 D C 2.267 178.489 176.300 -0.129 0.000 0.994 538 D CA 1.565 55.352 54.000 -0.354 0.000 0.830 538 D CB -0.200 40.443 40.800 -0.263 0.000 0.959 538 D HN 0.107 nan 8.370 nan 0.000 0.452 539 A N 0.343 123.030 122.820 -0.221 0.000 1.948 539 A HA -0.069 4.251 4.320 0.000 0.000 0.220 539 A C 2.354 179.749 177.584 -0.315 0.000 1.177 539 A CA 2.388 54.204 52.037 -0.369 0.000 0.636 539 A CB -1.090 17.585 19.000 -0.542 0.000 0.815 539 A HN 0.355 nan 8.150 nan 0.000 0.449 540 A N -0.905 121.891 122.820 -0.039 0.000 1.930 540 A HA 0.084 4.404 4.320 0.000 0.000 0.217 540 A C 2.203 179.856 177.584 0.115 0.000 1.175 540 A CA 1.675 53.805 52.037 0.154 0.000 0.627 540 A CB -0.646 18.473 19.000 0.198 0.000 0.815 540 A HN 0.370 nan 8.150 nan 0.000 0.443 541 V N -0.445 119.534 119.914 0.109 0.000 2.407 541 V HA -0.139 3.981 4.120 0.000 0.000 0.245 541 V C 2.652 178.797 176.094 0.085 0.000 1.041 541 V CA 2.093 64.476 62.300 0.138 0.000 1.040 541 V CB -0.589 31.392 31.823 0.263 0.000 0.671 541 V HN 0.523 nan 8.190 nan 0.000 0.455 542 S N 0.057 115.785 115.700 0.047 0.000 2.442 542 S HA 0.001 4.471 4.470 0.000 0.000 0.236 542 S C 1.718 176.314 174.600 -0.007 0.000 1.007 542 S CA 0.976 59.181 58.200 0.008 0.000 0.965 542 S CB -0.356 62.824 63.200 -0.034 0.000 0.773 542 S HN 0.979 nan 8.310 nan 0.000 0.504 543 G N 0.845 109.640 108.800 -0.008 0.000 2.179 543 G HA2 -0.068 3.892 3.960 0.000 0.000 0.257 543 G HA3 -0.068 3.892 3.960 0.000 0.000 0.257 543 G C 0.150 175.038 174.900 -0.021 0.000 1.010 543 G CA 0.125 45.255 45.100 0.050 0.000 0.736 543 G HN 0.992 nan 8.290 nan 0.000 0.513 544 G N -1.438 107.210 108.800 -0.254 0.000 2.755 544 G HA2 0.669 4.629 3.960 0.000 0.000 0.297 544 G HA3 0.669 4.629 3.960 0.000 0.000 0.297 544 G C -1.498 173.160 174.900 -0.405 0.000 1.441 544 G CA -0.372 44.567 45.100 -0.270 0.000 0.964 544 G HN 1.171 nan 8.290 nan 0.000 0.540 545 L N 2.263 123.297 121.223 -0.315 0.000 2.343 545 L HA 0.555 4.895 4.340 0.000 0.000 0.278 545 L C -0.137 176.713 176.870 -0.033 0.000 0.996 545 L CA -0.876 53.860 54.840 -0.173 0.000 0.831 545 L CB 1.488 43.463 42.059 -0.139 0.000 1.232 545 L HN 0.726 nan 8.230 nan 0.000 0.413 546 N N 1.839 120.539 118.700 0.000 0.000 2.458 546 N HA 0.248 4.988 4.740 0.000 0.000 0.271 546 N C -0.781 174.754 175.510 0.043 0.000 1.210 546 N CA -0.525 52.540 53.050 0.026 0.000 0.978 546 N CB 0.826 39.333 38.487 0.032 0.000 1.206 546 N HN 0.527 nan 8.380 nan 0.000 0.536 547 T N 0.136 114.705 114.554 0.024 0.000 3.364 547 T HA 0.217 4.567 4.350 0.000 0.000 0.323 547 T C -0.151 174.571 174.700 0.037 0.000 1.323 547 T CA -0.357 61.740 62.100 -0.005 0.000 1.073 547 T CB -0.654 68.198 68.868 -0.027 0.000 1.150 547 T HN 0.545 nan 8.240 nan 0.000 0.727 548 S N 1.896 117.662 115.700 0.110 0.000 2.532 548 S HA 0.585 5.055 4.470 0.000 0.000 0.301 548 S C -0.226 174.503 174.600 0.214 0.000 1.083 548 S CA -0.704 57.586 58.200 0.149 0.000 1.025 548 S CB 1.554 64.850 63.200 0.159 0.000 1.056 548 S HN 0.455 nan 8.310 nan 0.000 0.494 549 V N 6.518 126.532 119.914 0.166 0.000 2.408 549 V HA 0.479 4.599 4.120 0.000 0.000 0.267 549 V C -0.712 175.499 176.094 0.196 0.000 1.047 549 V CA -0.331 62.080 62.300 0.185 0.000 0.937 549 V CB 0.111 32.014 31.823 0.133 0.000 0.999 549 V HN 0.815 nan 8.190 nan 0.000 0.472 550 L N 7.226 128.581 121.223 0.220 0.000 2.456 550 L HA 0.580 4.921 4.340 0.000 0.000 0.257 550 L C 0.538 177.586 176.870 0.296 0.000 1.162 550 L CA 0.235 55.209 54.840 0.222 0.000 0.808 550 L CB 0.825 42.930 42.059 0.077 0.000 1.136 550 L HN 0.627 nan 8.230 nan 0.000 0.466 551 R N 0.802 121.492 120.500 0.317 0.000 2.502 551 R HA 0.665 5.005 4.340 0.000 0.000 0.300 551 R C -0.924 175.314 176.300 -0.104 0.000 0.984 551 R CA -0.727 55.469 56.100 0.160 0.000 0.882 551 R CB 1.582 31.946 30.300 0.107 0.000 1.180 551 R HN 0.698 nan 8.270 nan 0.000 0.444 552 A N 2.717 125.369 122.820 -0.280 0.000 2.492 552 A HA 0.171 4.491 4.320 0.000 0.000 0.254 552 A C 1.166 178.548 177.584 -0.336 0.000 1.091 552 A CA -0.425 51.180 52.037 -0.720 0.000 0.768 552 A CB 0.454 19.247 19.000 -0.344 0.000 1.028 552 A HN 0.630 nan 8.150 nan 0.000 0.498 553 V N 3.534 123.245 119.914 -0.337 0.000 2.407 553 V HA -0.082 4.038 4.120 0.000 0.000 0.245 553 V C 1.011 177.047 176.094 -0.097 0.000 1.041 553 V CA 1.207 63.421 62.300 -0.144 0.000 1.040 553 V CB -0.802 30.967 31.823 -0.091 0.000 0.671 553 V HN 0.675 nan 8.190 nan 0.000 0.455 554 L N 1.343 122.505 121.223 -0.102 0.000 2.326 554 L HA 0.356 4.696 4.340 0.000 0.000 0.278 554 L C -2.297 174.562 176.870 -0.019 0.000 1.092 554 L CA -1.767 53.041 54.840 -0.053 0.000 0.810 554 L CB 0.166 42.202 42.059 -0.038 0.000 1.153 554 L HN 0.085 nan 8.230 nan 0.000 0.439 555 P HA 0.116 nan 4.420 nan 0.000 0.271 555 P C 0.185 177.539 177.300 0.090 0.000 1.216 555 P CA -0.490 62.639 63.100 0.049 0.000 0.776 555 P CB 0.730 32.454 31.700 0.040 0.000 0.881 556 R N 1.973 122.562 120.500 0.148 0.000 2.127 556 R HA -0.172 4.168 4.340 0.000 0.000 0.238 556 R C 0.833 177.282 176.300 0.249 0.000 1.134 556 R CA 1.661 57.901 56.100 0.233 0.000 0.975 556 R CB -0.427 30.030 30.300 0.261 0.000 0.865 556 R HN 0.384 nan 8.270 nan 0.000 0.447 557 D N -0.102 120.415 120.400 0.196 0.000 2.351 557 D HA -0.167 4.473 4.640 0.000 0.000 0.216 557 D C 1.514 177.879 176.300 0.108 0.000 0.968 557 D CA 1.002 55.111 54.000 0.181 0.000 0.899 557 D CB 0.086 41.001 40.800 0.191 0.000 0.907 557 D HN 0.394 nan 8.370 nan 0.000 0.514 558 M N -0.697 118.944 119.600 0.068 0.000 2.557 558 M HA -0.063 4.417 4.480 0.000 0.000 0.262 558 M C 1.779 178.065 176.300 -0.023 0.000 1.168 558 M CA 0.542 55.841 55.300 -0.001 0.000 1.194 558 M CB 0.266 32.837 32.600 -0.049 0.000 1.311 558 M HN -0.202 nan 8.290 nan 0.000 0.489 559 V N 1.028 120.922 119.914 -0.034 0.000 2.324 559 V HA -0.204 3.916 4.120 0.000 0.000 0.250 559 V C 0.630 176.537 176.094 -0.313 0.000 1.060 559 V CA 1.478 63.667 62.300 -0.184 0.000 1.042 559 V CB -0.745 30.930 31.823 -0.246 0.000 0.650 559 V HN 0.259 nan 8.190 nan 0.000 0.450 560 F N -0.524 119.492 119.950 0.111 0.000 2.507 560 F HA 0.629 5.156 4.527 0.000 0.000 0.327 560 F C 0.654 176.494 175.800 0.067 0.000 1.068 560 F CA -1.261 56.795 58.000 0.093 0.000 0.965 560 F CB 1.134 40.187 39.000 0.089 0.000 1.192 560 F HN 0.003 nan 8.300 nan 0.000 0.476 561 R N 0.000 120.663 120.500 0.271 0.000 2.786 561 R HA 0.000 4.340 4.340 0.000 0.000 0.208 561 R CA 0.000 56.195 56.100 0.158 0.000 0.921 561 R CB 0.000 30.365 30.300 0.108 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535