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 1kb9_1_B DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.899 176.870 0.049 0.000 1.165 17 L CA 0.000 54.868 54.840 0.046 0.000 0.813 17 L CB 0.000 42.078 42.059 0.031 0.000 0.961 18 T N 0.954 115.546 114.554 0.063 0.000 2.737 18 T HA 0.387 4.737 4.350 -0.000 0.000 0.296 18 T C 0.508 175.246 174.700 0.063 0.000 0.922 18 T CA -0.107 62.030 62.100 0.062 0.000 1.079 18 T CB 1.527 70.440 68.868 0.076 0.000 0.892 18 T HN 0.159 nan 8.240 nan 0.000 0.514 19 V N 4.494 124.440 119.914 0.053 0.000 2.259 19 V HA 0.251 4.371 4.120 -0.000 0.000 0.267 19 V C 0.519 176.643 176.094 0.051 0.000 1.051 19 V CA -0.577 61.757 62.300 0.055 0.000 0.830 19 V CB 0.309 32.162 31.823 0.050 0.000 1.080 19 V HN 0.914 nan 8.190 nan 0.000 0.467 20 S N 2.768 118.501 115.700 0.054 0.000 2.681 20 S HA 0.949 5.419 4.470 -0.000 0.000 0.270 20 S C 0.297 174.924 174.600 0.045 0.000 1.209 20 S CA 0.119 58.346 58.200 0.045 0.000 0.988 20 S CB 1.907 65.133 63.200 0.044 0.000 1.006 20 S HN 1.160 nan 8.310 nan 0.000 0.558 21 A N 0.467 123.308 122.820 0.035 0.000 2.456 21 A HA 0.826 5.146 4.320 -0.000 0.000 0.294 21 A C -1.279 176.317 177.584 0.019 0.000 1.057 21 A CA -0.849 51.208 52.037 0.033 0.000 0.623 21 A CB 0.999 20.024 19.000 0.043 0.000 1.338 21 A HN 0.762 nan 8.150 nan 0.000 0.464 22 R N 0.714 121.222 120.500 0.013 0.000 3.270 22 R HA 0.284 4.624 4.340 -0.000 0.000 0.299 22 R C -1.755 174.543 176.300 -0.003 0.000 1.188 22 R CA -0.216 55.886 56.100 0.003 0.000 1.090 22 R CB 0.439 30.737 30.300 -0.004 0.000 1.329 22 R HN 0.963 nan 8.270 nan 0.000 0.381 23 D N 2.157 122.558 120.400 0.002 0.000 2.363 23 D HA 0.677 5.317 4.640 -0.000 0.000 0.240 23 D C -0.644 175.649 176.300 -0.012 0.000 1.236 23 D CA 0.992 54.991 54.000 -0.001 0.000 0.927 23 D CB 1.347 42.152 40.800 0.007 0.000 1.150 23 D HN 0.693 nan 8.370 nan 0.000 0.458 24 A N 0.809 123.620 122.820 -0.016 0.000 2.567 24 A HA 0.421 4.741 4.320 -0.000 0.000 0.291 24 A C -2.485 175.086 177.584 -0.021 0.000 1.048 24 A CA -0.864 51.160 52.037 -0.021 0.000 0.661 24 A CB 1.182 20.163 19.000 -0.031 0.000 1.288 24 A HN 0.498 nan 8.150 nan 0.000 0.424 25 P HA 0.088 nan 4.420 nan 0.000 0.255 25 P C 0.591 177.875 177.300 -0.025 0.000 1.357 25 P CA 0.811 63.900 63.100 -0.018 0.000 0.839 25 P CB -0.450 31.242 31.700 -0.014 0.000 1.356 26 T N -2.664 111.868 114.554 -0.037 0.000 2.874 26 T HA 0.290 4.640 4.350 -0.000 0.000 0.281 26 T C 1.046 175.712 174.700 -0.057 0.000 0.994 26 T CA -0.532 61.539 62.100 -0.048 0.000 1.015 26 T CB 1.652 70.484 68.868 -0.061 0.000 1.028 26 T HN -0.113 nan 8.240 nan 0.000 0.523 27 K N -0.043 120.319 120.400 -0.063 0.000 2.379 27 K HA 0.236 4.556 4.320 -0.000 0.000 0.194 27 K C 0.061 176.594 176.600 -0.111 0.000 1.031 27 K CA 0.118 56.365 56.287 -0.067 0.000 1.037 27 K CB 0.233 32.704 32.500 -0.048 0.000 0.824 27 K HN 0.489 nan 8.250 nan 0.000 0.516 28 I N 1.470 121.950 120.570 -0.150 0.000 2.362 28 I HA 0.179 4.349 4.170 -0.000 0.000 0.289 28 I C -0.053 175.862 176.117 -0.337 0.000 0.994 28 I CA -0.193 60.961 61.300 -0.242 0.000 1.158 28 I CB 1.456 39.335 38.000 -0.201 0.000 1.315 28 I HN -0.133 nan 8.210 nan 0.000 0.451 29 S N 3.873 119.216 115.700 -0.595 0.000 2.690 29 S HA 0.645 5.115 4.470 -0.000 0.000 0.291 29 S C 0.211 174.263 174.600 -0.912 0.000 1.138 29 S CA -0.549 57.233 58.200 -0.697 0.000 1.013 29 S CB 2.091 64.844 63.200 -0.745 0.000 1.053 29 S HN 0.680 nan 8.310 nan 0.000 0.539 30 T N 2.244 116.479 114.554 -0.531 0.000 3.176 30 T HA 0.290 4.640 4.350 -0.000 0.000 0.337 30 T C -0.902 173.769 174.700 -0.049 0.000 0.957 30 T CA -0.585 61.328 62.100 -0.311 0.000 1.092 30 T CB 0.048 68.792 68.868 -0.206 0.000 1.018 30 T HN 0.383 nan 8.240 nan 0.000 0.473 31 L N 3.912 125.235 121.223 0.167 0.000 2.436 31 L HA 0.838 5.178 4.340 -0.000 0.000 0.265 31 L C 0.118 177.082 176.870 0.155 0.000 1.168 31 L CA 0.236 55.209 54.840 0.221 0.000 0.815 31 L CB 0.906 43.172 42.059 0.343 0.000 1.109 31 L HN 0.942 nan 8.230 nan 0.000 0.462 32 A N 4.097 126.996 122.820 0.132 0.000 2.491 32 A HA 0.552 4.872 4.320 -0.000 0.000 0.293 32 A C -1.349 176.302 177.584 0.111 0.000 1.047 32 A CA -0.476 51.632 52.037 0.118 0.000 0.735 32 A CB 1.332 20.374 19.000 0.069 0.000 1.281 32 A HN 0.315 nan 8.150 nan 0.000 0.398 33 V N 3.931 123.920 119.914 0.126 0.000 2.257 33 V HA 0.223 4.343 4.120 -0.000 0.000 0.269 33 V C 0.183 176.351 176.094 0.122 0.000 1.040 33 V CA -0.421 61.944 62.300 0.108 0.000 0.813 33 V CB 0.672 32.545 31.823 0.083 0.000 1.065 33 V HN 0.823 nan 8.190 nan 0.000 0.457 34 K N 2.993 123.465 120.400 0.120 0.000 2.326 34 K HA 0.596 4.916 4.320 -0.000 0.000 0.275 34 K C -0.720 176.011 176.600 0.218 0.000 1.018 34 K CA -0.210 56.178 56.287 0.169 0.000 0.962 34 K CB 1.545 34.106 32.500 0.102 0.000 0.953 34 K HN 0.402 nan 8.250 nan 0.000 0.475 35 V N 3.199 123.271 119.914 0.264 0.000 2.668 35 V HA 0.059 4.179 4.120 -0.000 0.000 0.304 35 V C -0.430 175.702 176.094 0.063 0.000 1.071 35 V CA -0.931 61.481 62.300 0.186 0.000 0.894 35 V CB 1.622 33.615 31.823 0.284 0.000 1.008 35 V HN 0.792 nan 8.190 nan 0.000 0.425 36 H N 4.074 123.139 119.070 -0.008 0.000 3.392 36 H HA 0.257 4.813 4.556 -0.000 0.000 0.253 36 H C 0.899 176.192 175.328 -0.059 0.000 1.682 36 H CA 0.694 56.654 56.048 -0.148 0.000 1.535 36 H CB 0.480 30.003 29.762 -0.397 0.000 1.823 36 H HN 0.864 nan 8.280 nan 0.000 0.576 37 G N 1.773 110.734 108.800 0.267 0.000 4.658 37 G HA2 0.160 4.120 3.960 -0.000 0.000 0.279 37 G HA3 0.160 4.120 3.960 -0.000 0.000 0.279 37 G C 0.874 176.064 174.900 0.484 0.000 0.997 37 G CA 0.018 45.336 45.100 0.363 0.000 0.765 37 G HN 0.594 nan 8.290 nan 0.000 0.442 38 G N 0.631 109.662 108.800 0.385 0.000 2.583 38 G HA2 0.334 4.294 3.960 -0.000 0.000 0.275 38 G HA3 0.334 4.294 3.960 -0.000 0.000 0.275 38 G C 1.539 176.517 174.900 0.130 0.000 1.342 38 G CA 0.709 45.938 45.100 0.215 0.000 1.030 38 G HN 0.656 nan 8.290 nan 0.000 0.520 39 S N -1.042 114.667 115.700 0.015 0.000 2.442 39 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 39 S C 2.134 176.673 174.600 -0.101 0.000 1.007 39 S CA 1.005 59.180 58.200 -0.041 0.000 0.965 39 S CB -0.233 62.927 63.200 -0.066 0.000 0.773 39 S HN 0.509 nan 8.310 nan 0.000 0.504 40 R N 0.963 121.315 120.500 -0.247 0.000 2.083 40 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 40 R C 0.214 176.296 176.300 -0.364 0.000 1.137 40 R CA 1.460 57.283 56.100 -0.461 0.000 0.951 40 R CB -0.440 29.330 30.300 -0.884 0.000 0.851 40 R HN 0.689 nan 8.270 nan 0.000 0.434 41 Y N -0.569 119.770 120.300 0.065 0.000 2.783 41 Y HA 0.508 5.058 4.550 -0.000 0.000 0.382 41 Y C -0.042 176.015 175.900 0.262 0.000 1.076 41 Y CA -0.627 57.538 58.100 0.109 0.000 1.530 41 Y CB 0.372 38.877 38.460 0.074 0.000 1.546 41 Y HN -0.045 nan 8.280 nan 0.000 0.537 42 A N 0.310 123.277 122.820 0.244 0.000 2.271 42 A HA 0.385 4.705 4.320 -0.000 0.000 0.317 42 A C 1.262 178.904 177.584 0.097 0.000 1.245 42 A CA -0.249 51.873 52.037 0.143 0.000 0.857 42 A CB 0.962 19.904 19.000 -0.096 0.000 1.175 42 A HN 0.507 nan 8.150 nan 0.000 0.512 43 T N 1.851 116.498 114.554 0.154 0.000 2.684 43 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 43 T C 0.835 175.546 174.700 0.018 0.000 1.036 43 T CA 1.783 63.945 62.100 0.103 0.000 1.148 43 T CB -0.330 68.631 68.868 0.156 0.000 0.863 43 T HN 0.653 nan 8.240 nan 0.000 0.436 44 K N 1.071 121.444 120.400 -0.045 0.000 2.385 44 K HA 0.331 4.651 4.320 -0.000 0.000 0.248 44 K C -1.401 175.167 176.600 -0.053 0.000 0.955 44 K CA -0.931 55.334 56.287 -0.037 0.000 0.816 44 K CB 1.453 33.936 32.500 -0.029 0.000 1.250 44 K HN 0.054 nan 8.250 nan 0.000 0.434 45 D N 0.940 121.333 120.400 -0.012 0.000 2.451 45 D HA 0.048 4.687 4.640 -0.000 0.000 0.254 45 D C 1.170 177.513 176.300 0.072 0.000 1.204 45 D CA 1.496 55.496 54.000 0.000 0.000 0.896 45 D CB 0.572 41.361 40.800 -0.018 0.000 1.136 45 D HN 0.831 nan 8.370 nan 0.000 0.499 46 G N 1.609 110.437 108.800 0.045 0.000 2.184 46 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.264 46 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.264 46 G C 1.333 176.250 174.900 0.028 0.000 0.975 46 G CA 0.296 45.483 45.100 0.145 0.000 0.642 46 G HN 0.465 nan 8.290 nan 0.000 0.536 47 V N 0.665 120.488 119.914 -0.152 0.000 2.469 47 V HA -0.064 4.056 4.120 -0.000 0.000 0.251 47 V C 3.185 179.018 176.094 -0.435 0.000 1.064 47 V CA 2.967 65.067 62.300 -0.334 0.000 1.066 47 V CB -0.924 30.613 31.823 -0.477 0.000 0.667 47 V HN 0.961 nan 8.190 nan 0.000 0.461 48 A N -0.577 121.962 122.820 -0.469 0.000 1.930 48 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 48 A C 2.152 179.761 177.584 0.042 0.000 1.175 48 A CA 1.953 53.834 52.037 -0.261 0.000 0.627 48 A CB -0.729 18.207 19.000 -0.107 0.000 0.815 48 A HN 0.683 nan 8.150 nan 0.000 0.443 49 H N 0.438 119.479 119.070 -0.048 0.000 2.293 49 H HA -0.024 4.532 4.556 -0.000 0.000 0.300 49 H C 1.739 177.090 175.328 0.038 0.000 1.082 49 H CA 1.984 58.049 56.048 0.028 0.000 1.308 49 H CB -0.504 29.288 29.762 0.051 0.000 1.375 49 H HN 0.344 nan 8.280 nan 0.000 0.495 50 L N -0.480 120.668 121.223 -0.125 0.000 2.042 50 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 50 L C 2.577 179.493 176.870 0.078 0.000 1.076 50 L CA 1.146 55.883 54.840 -0.173 0.000 0.749 50 L CB -0.510 41.413 42.059 -0.227 0.000 0.893 50 L HN 0.283 nan 8.230 nan 0.000 0.432 51 L N 0.201 121.500 121.223 0.127 0.000 2.093 51 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 51 L C 2.230 179.280 176.870 0.300 0.000 1.085 51 L CA 1.718 56.720 54.840 0.270 0.000 0.755 51 L CB -0.893 41.299 42.059 0.222 0.000 0.904 51 L HN 0.294 nan 8.230 nan 0.000 0.435 52 N N -0.624 118.221 118.700 0.242 0.000 2.166 52 N HA -0.251 4.489 4.740 -0.000 0.000 0.186 52 N C 1.953 177.601 175.510 0.231 0.000 1.019 52 N CA 0.867 54.072 53.050 0.260 0.000 0.856 52 N CB 0.058 38.707 38.487 0.270 0.000 0.993 52 N HN 0.190 nan 8.380 nan 0.000 0.426 53 R N -0.227 120.365 120.500 0.153 0.000 2.193 53 R HA 0.102 4.442 4.340 -0.000 0.000 0.213 53 R C 1.605 177.949 176.300 0.074 0.000 1.055 53 R CA 0.684 56.828 56.100 0.073 0.000 0.995 53 R CB -0.488 29.748 30.300 -0.106 0.000 0.893 53 R HN 0.264 nan 8.270 nan 0.000 0.459 54 F N 0.094 120.083 119.950 0.065 0.000 2.615 54 F HA 0.127 4.654 4.527 -0.000 0.000 0.297 54 F C 0.132 175.924 175.800 -0.013 0.000 1.124 54 F CA -0.087 57.944 58.000 0.050 0.000 1.451 54 F CB 0.170 39.270 39.000 0.167 0.000 1.103 54 F HN 0.002 nan 8.300 nan 0.000 0.569 55 N N 0.355 119.186 118.700 0.219 0.000 2.492 55 N HA 0.067 4.807 4.740 -0.000 0.000 0.262 55 N C -0.459 175.045 175.510 -0.009 0.000 1.202 55 N CA 0.353 53.373 53.050 -0.050 0.000 0.926 55 N CB 0.094 38.495 38.487 -0.144 0.000 1.078 55 N HN 0.135 nan 8.380 nan 0.000 0.454 56 F N -1.867 118.071 119.950 -0.019 0.000 2.746 56 F HA -0.282 4.245 4.527 -0.000 0.000 0.315 56 F C 1.103 176.862 175.800 -0.069 0.000 0.666 56 F CA 0.154 58.099 58.000 -0.092 0.000 1.381 56 F CB -1.132 37.825 39.000 -0.072 0.000 1.739 56 F HN 0.529 nan 8.300 nan 0.000 0.322 57 Q N 0.496 120.334 119.800 0.063 0.000 2.665 57 Q HA 0.264 4.604 4.340 -0.000 0.000 0.189 57 Q C 0.547 176.539 176.000 -0.014 0.000 1.118 57 Q CA -0.015 55.817 55.803 0.048 0.000 0.849 57 Q CB 0.039 28.850 28.738 0.121 0.000 3.715 57 Q HN 0.130 nan 8.270 nan 0.000 0.439 58 N N 1.099 119.784 118.700 -0.025 0.000 2.520 58 N HA 0.129 4.869 4.740 -0.000 0.000 0.273 58 N C -0.228 175.202 175.510 -0.133 0.000 1.155 58 N CA 0.124 53.139 53.050 -0.059 0.000 0.967 58 N CB 0.853 39.323 38.487 -0.029 0.000 1.092 58 N HN 0.467 nan 8.380 nan 0.000 0.457 59 T N -1.281 113.201 114.554 -0.121 0.000 2.893 59 T HA 0.339 4.689 4.350 -0.000 0.000 0.279 59 T C 0.973 175.613 174.700 -0.100 0.000 0.991 59 T CA -0.694 61.319 62.100 -0.145 0.000 0.950 59 T CB 0.786 69.575 68.868 -0.132 0.000 1.223 59 T HN 0.213 nan 8.240 nan 0.000 0.585 60 N N 0.366 119.013 118.700 -0.088 0.000 2.494 60 N HA 0.023 4.763 4.740 -0.000 0.000 0.182 60 N C 1.630 177.119 175.510 -0.035 0.000 1.076 60 N CA 1.355 54.372 53.050 -0.056 0.000 0.908 60 N CB -0.156 38.301 38.487 -0.050 0.000 0.967 60 N HN 0.905 nan 8.380 nan 0.000 0.449 61 T N -3.878 110.653 114.554 -0.039 0.000 2.958 61 T HA 0.319 4.668 4.350 -0.000 0.000 0.256 61 T C 0.664 175.347 174.700 -0.029 0.000 0.983 61 T CA -0.295 61.788 62.100 -0.027 0.000 0.924 61 T CB 0.901 69.754 68.868 -0.025 0.000 1.136 61 T HN -0.133 nan 8.240 nan 0.000 0.506 62 R N 2.063 122.538 120.500 -0.042 0.000 2.574 62 R HA 0.580 4.920 4.340 -0.000 0.000 0.288 62 R C -0.618 175.661 176.300 -0.035 0.000 1.004 62 R CA -0.217 55.862 56.100 -0.036 0.000 0.895 62 R CB 1.903 32.169 30.300 -0.055 0.000 1.191 62 R HN 0.348 nan 8.270 nan 0.000 0.444 63 S N 2.457 118.149 115.700 -0.014 0.000 2.610 63 S HA 0.367 4.837 4.470 -0.000 0.000 0.273 63 S C 1.273 175.871 174.600 -0.003 0.000 1.274 63 S CA -0.181 58.016 58.200 -0.005 0.000 1.023 63 S CB 1.781 64.988 63.200 0.012 0.000 0.962 63 S HN 0.745 nan 8.310 nan 0.000 0.523 64 A N 1.706 124.529 122.820 0.004 0.000 1.948 64 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 64 A C 2.011 179.608 177.584 0.021 0.000 1.177 64 A CA 1.856 53.902 52.037 0.015 0.000 0.636 64 A CB -1.094 17.924 19.000 0.029 0.000 0.815 64 A HN 1.039 nan 8.150 nan 0.000 0.449 65 L N -0.159 121.078 121.223 0.023 0.000 1.994 65 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 65 L C 2.306 179.192 176.870 0.027 0.000 1.071 65 L CA 2.820 57.675 54.840 0.024 0.000 0.745 65 L CB -0.621 41.451 42.059 0.021 0.000 0.892 65 L HN 0.437 nan 8.230 nan 0.000 0.431 66 K N -0.957 119.457 120.400 0.023 0.000 2.097 66 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 66 K C 2.165 178.794 176.600 0.047 0.000 1.049 66 K CA 1.724 58.027 56.287 0.028 0.000 0.933 66 K CB -0.345 32.168 32.500 0.021 0.000 0.717 66 K HN 0.332 nan 8.250 nan 0.000 0.442 67 L N 0.858 122.104 121.223 0.037 0.000 2.012 67 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 67 L C 1.988 178.928 176.870 0.117 0.000 1.073 67 L CA 1.598 56.469 54.840 0.051 0.000 0.748 67 L CB -0.555 41.471 42.059 -0.055 0.000 0.891 67 L HN 0.009 nan 8.230 nan 0.000 0.431 68 V N 0.111 120.077 119.914 0.086 0.000 2.295 68 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 68 V C 2.802 178.950 176.094 0.089 0.000 1.049 68 V CA 1.786 64.150 62.300 0.108 0.000 1.024 68 V CB -0.819 31.046 31.823 0.070 0.000 0.648 68 V HN 0.437 nan 8.190 nan 0.000 0.447 69 R N 0.208 120.743 120.500 0.057 0.000 2.105 69 R HA -0.153 4.186 4.340 -0.000 0.000 0.239 69 R C 2.123 178.437 176.300 0.024 0.000 1.135 69 R CA 1.437 57.558 56.100 0.035 0.000 0.967 69 R CB -0.660 29.653 30.300 0.022 0.000 0.861 69 R HN 0.628 nan 8.270 nan 0.000 0.442 70 E N 0.697 120.916 120.200 0.032 0.000 2.028 70 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 70 E C 2.032 178.585 176.600 -0.079 0.000 0.988 70 E CA 1.585 57.967 56.400 -0.029 0.000 0.799 70 E CB 0.008 29.713 29.700 0.009 0.000 0.755 70 E HN 0.384 nan 8.360 nan 0.000 0.447 71 S N 1.014 116.748 115.700 0.057 0.000 2.400 71 S HA -0.207 4.263 4.470 -0.000 0.000 0.232 71 S C 1.771 176.421 174.600 0.083 0.000 1.025 71 S CA 1.126 59.395 58.200 0.115 0.000 0.993 71 S CB -0.338 63.122 63.200 0.432 0.000 0.808 71 S HN 0.233 nan 8.310 nan 0.000 0.478 72 E N 0.872 121.111 120.200 0.066 0.000 2.077 72 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 72 E C 1.945 178.552 176.600 0.012 0.000 0.989 72 E CA 0.993 57.418 56.400 0.042 0.000 0.800 72 E CB -0.222 29.499 29.700 0.035 0.000 0.746 72 E HN 0.346 nan 8.360 nan 0.000 0.452 73 L N 0.674 121.888 121.223 -0.014 0.000 2.141 73 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 73 L C 2.249 179.094 176.870 -0.042 0.000 1.094 73 L CA 1.312 56.134 54.840 -0.031 0.000 0.763 73 L CB -0.840 41.191 42.059 -0.047 0.000 0.908 73 L HN 0.228 nan 8.230 nan 0.000 0.437 74 L N -0.666 120.519 121.223 -0.064 0.000 2.068 74 L HA 0.045 4.385 4.340 -0.000 0.000 0.204 74 L C 1.104 177.993 176.870 0.032 0.000 1.076 74 L CA 1.062 55.870 54.840 -0.053 0.000 0.753 74 L CB -0.394 41.581 42.059 -0.140 0.000 0.910 74 L HN 0.482 nan 8.230 nan 0.000 0.439 75 G N -0.200 108.640 108.800 0.065 0.000 2.756 75 G HA2 0.138 4.098 3.960 -0.000 0.000 0.151 75 G HA3 0.138 4.098 3.960 -0.000 0.000 0.151 75 G C -0.157 174.794 174.900 0.086 0.000 1.071 75 G CA -0.454 44.682 45.100 0.061 0.000 0.881 75 G HN 0.586 nan 8.290 nan 0.000 0.517 76 G N -0.760 108.110 108.800 0.116 0.000 2.720 76 G HA2 1.033 4.993 3.960 -0.000 0.000 0.295 76 G HA3 1.033 4.993 3.960 -0.000 0.000 0.295 76 G C -0.420 174.483 174.900 0.005 0.000 1.437 76 G CA 0.701 45.825 45.100 0.040 0.000 0.886 76 G HN 1.579 nan 8.290 nan 0.000 0.509 77 T N -1.693 112.772 114.554 -0.148 0.000 2.907 77 T HA 0.841 5.191 4.350 -0.000 0.000 0.290 77 T C -0.909 173.554 174.700 -0.395 0.000 1.066 77 T CA -0.785 61.228 62.100 -0.145 0.000 1.012 77 T CB 1.874 70.708 68.868 -0.057 0.000 1.184 77 T HN 0.297 nan 8.240 nan 0.000 0.522 78 F N 0.216 120.069 119.950 -0.162 0.000 2.594 78 F HA 0.886 5.413 4.527 -0.000 0.000 0.335 78 F C 0.122 175.687 175.800 -0.393 0.000 1.058 78 F CA -0.869 56.880 58.000 -0.419 0.000 0.981 78 F CB 2.207 40.567 39.000 -1.066 0.000 1.289 78 F HN 0.750 nan 8.300 nan 0.000 0.490 79 K N 0.315 120.631 120.400 -0.141 0.000 2.610 79 K HA 0.447 4.767 4.320 -0.000 0.000 0.267 79 K C -1.795 174.988 176.600 0.305 0.000 0.943 79 K CA -0.396 55.924 56.287 0.056 0.000 0.862 79 K CB 1.858 34.394 32.500 0.061 0.000 1.376 79 K HN 0.454 nan 8.250 nan 0.000 0.412 80 S N 2.607 118.527 115.700 0.366 0.000 2.718 80 S HA 0.536 5.006 4.470 -0.000 0.000 0.294 80 S C -1.042 173.718 174.600 0.268 0.000 1.157 80 S CA -0.388 58.051 58.200 0.399 0.000 1.121 80 S CB 0.457 63.944 63.200 0.479 0.000 1.015 80 S HN 0.560 nan 8.310 nan 0.000 0.479 81 T N 4.672 119.357 114.554 0.219 0.000 2.922 81 T HA 0.552 4.902 4.350 -0.000 0.000 0.285 81 T C -0.585 174.226 174.700 0.184 0.000 1.005 81 T CA -0.480 61.724 62.100 0.172 0.000 1.061 81 T CB 1.156 70.099 68.868 0.124 0.000 1.007 81 T HN 0.533 nan 8.240 nan 0.000 0.502 82 L N 2.176 123.495 121.223 0.160 0.000 2.346 82 L HA 0.596 4.936 4.340 -0.000 0.000 0.276 82 L C -0.735 176.211 176.870 0.127 0.000 1.006 82 L CA -0.215 54.722 54.840 0.162 0.000 0.817 82 L CB 1.486 43.638 42.059 0.155 0.000 1.272 82 L HN 0.573 nan 8.230 nan 0.000 0.421 83 D N 1.820 122.316 120.400 0.160 0.000 2.621 83 D HA 0.309 4.949 4.640 -0.000 0.000 0.255 83 D C -0.005 176.366 176.300 0.119 0.000 1.122 83 D CA -0.492 53.602 54.000 0.157 0.000 1.096 83 D CB 2.115 43.071 40.800 0.261 0.000 1.282 83 D HN 0.440 nan 8.370 nan 0.000 0.619 84 R N 0.526 121.100 120.500 0.123 0.000 2.240 84 R HA -0.008 4.331 4.340 -0.000 0.000 0.203 84 R C 1.408 177.700 176.300 -0.012 0.000 1.011 84 R CA 1.346 57.456 56.100 0.017 0.000 1.007 84 R CB 0.201 30.505 30.300 0.006 0.000 0.911 84 R HN 0.479 nan 8.270 nan 0.000 0.468 85 E N -2.313 117.966 120.200 0.131 0.000 2.399 85 E HA 0.094 4.444 4.350 -0.000 0.000 0.206 85 E C -0.511 176.165 176.600 0.127 0.000 0.812 85 E CA -0.090 56.338 56.400 0.048 0.000 1.138 85 E CB 0.228 30.018 29.700 0.150 0.000 1.140 85 E HN 0.150 nan 8.360 nan 0.000 0.536 86 Y N -0.029 120.372 120.300 0.169 0.000 2.565 86 Y HA 0.529 5.079 4.550 -0.000 0.000 0.325 86 Y C 0.107 176.101 175.900 0.156 0.000 1.221 86 Y CA -0.719 57.458 58.100 0.128 0.000 1.316 86 Y CB 1.413 39.904 38.460 0.051 0.000 1.404 86 Y HN -0.097 nan 8.280 nan 0.000 0.527 87 I N 1.308 122.099 120.570 0.368 0.000 2.576 87 I HA 0.140 4.310 4.170 -0.000 0.000 0.279 87 I C -1.366 174.922 176.117 0.284 0.000 1.114 87 I CA -0.241 61.243 61.300 0.307 0.000 1.076 87 I CB 1.427 39.625 38.000 0.331 0.000 1.212 87 I HN 0.563 nan 8.210 nan 0.000 0.472 88 T N 6.571 121.264 114.554 0.233 0.000 2.767 88 T HA 0.502 4.852 4.350 -0.000 0.000 0.284 88 T C -0.160 174.672 174.700 0.221 0.000 0.973 88 T CA -0.393 61.820 62.100 0.188 0.000 0.996 88 T CB 1.349 70.281 68.868 0.108 0.000 0.927 88 T HN 0.148 nan 8.240 nan 0.000 0.456 89 L N 3.979 125.336 121.223 0.223 0.000 2.360 89 L HA 0.418 4.758 4.340 -0.000 0.000 0.265 89 L C 0.461 177.531 176.870 0.333 0.000 1.066 89 L CA -0.129 54.904 54.840 0.322 0.000 0.929 89 L CB 0.276 42.458 42.059 0.205 0.000 1.306 89 L HN 0.454 nan 8.230 nan 0.000 0.434 90 K N 1.961 122.538 120.400 0.294 0.000 2.098 90 K HA 0.862 5.182 4.320 -0.000 0.000 0.257 90 K C -0.636 176.083 176.600 0.197 0.000 0.999 90 K CA -0.521 55.886 56.287 0.200 0.000 0.924 90 K CB 1.235 33.801 32.500 0.111 0.000 1.028 90 K HN 0.507 nan 8.250 nan 0.000 0.466 91 A N 2.411 125.300 122.820 0.116 0.000 2.476 91 A HA 0.329 4.649 4.320 -0.000 0.000 0.280 91 A C -1.120 176.454 177.584 -0.017 0.000 1.081 91 A CA -0.733 51.285 52.037 -0.032 0.000 0.753 91 A CB 1.265 20.271 19.000 0.010 0.000 1.248 91 A HN 0.642 nan 8.150 nan 0.000 0.424 92 T N 2.825 117.289 114.554 -0.150 0.000 2.837 92 T HA 0.763 5.113 4.350 -0.000 0.000 0.285 92 T C -0.350 174.199 174.700 -0.252 0.000 0.984 92 T CA 0.137 62.096 62.100 -0.235 0.000 1.049 92 T CB 0.140 68.894 68.868 -0.191 0.000 0.947 92 T HN 1.017 nan 8.240 nan 0.000 0.472 93 F N -0.342 119.335 119.950 -0.454 0.000 3.122 93 F HA 0.598 5.125 4.527 -0.000 0.000 0.325 93 F C -2.022 173.609 175.800 -0.281 0.000 1.162 93 F CA -1.782 55.922 58.000 -0.494 0.000 0.876 93 F CB 0.769 39.099 39.000 -1.117 0.000 1.429 93 F HN 0.256 nan 8.300 nan 0.000 0.484 94 L N 2.480 123.739 121.223 0.060 0.000 2.319 94 L HA 0.322 4.662 4.340 -0.000 0.000 0.280 94 L C 1.512 178.476 176.870 0.157 0.000 1.099 94 L CA -0.498 54.361 54.840 0.031 0.000 0.828 94 L CB 1.276 43.377 42.059 0.069 0.000 1.150 94 L HN 0.851 nan 8.230 nan 0.000 0.442 95 K N 2.005 122.398 120.400 -0.012 0.000 2.056 95 K HA -0.289 4.031 4.320 -0.000 0.000 0.225 95 K C 1.112 177.840 176.600 0.213 0.000 1.053 95 K CA 2.569 58.886 56.287 0.051 0.000 0.966 95 K CB 0.062 32.561 32.500 -0.002 0.000 0.735 95 K HN 0.707 nan 8.250 nan 0.000 0.455 96 D N 0.560 121.053 120.400 0.155 0.000 2.351 96 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 96 D C 0.520 176.915 176.300 0.157 0.000 0.968 96 D CA 0.867 54.954 54.000 0.145 0.000 0.899 96 D CB -0.128 40.728 40.800 0.094 0.000 0.907 96 D HN 0.340 nan 8.370 nan 0.000 0.514 97 D N 0.208 120.742 120.400 0.223 0.000 2.336 97 D HA 0.021 4.660 4.640 -0.000 0.000 0.228 97 D C 2.018 178.382 176.300 0.106 0.000 1.120 97 D CA -0.230 53.874 54.000 0.174 0.000 0.839 97 D CB 0.319 41.276 40.800 0.261 0.000 0.932 97 D HN 0.138 nan 8.370 nan 0.000 0.509 98 L N 2.080 123.381 121.223 0.130 0.000 2.010 98 L HA -0.200 4.140 4.340 -0.000 0.000 0.219 98 L C -0.529 176.231 176.870 -0.183 0.000 1.077 98 L CA 2.310 57.171 54.840 0.035 0.000 0.773 98 L CB -1.099 41.089 42.059 0.215 0.000 0.892 98 L HN 0.094 nan 8.230 nan 0.000 0.436 99 P HA -0.292 nan 4.420 nan 0.000 0.216 99 P C 1.461 178.558 177.300 -0.338 0.000 1.153 99 P CA 1.889 64.572 63.100 -0.695 0.000 0.858 99 P CB -0.371 30.778 31.700 -0.918 0.000 0.789 100 Y N 0.420 120.511 120.300 -0.348 0.000 2.128 100 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 100 Y C 2.478 178.137 175.900 -0.402 0.000 1.154 100 Y CA 1.833 59.701 58.100 -0.387 0.000 1.149 100 Y CB -1.280 36.874 38.460 -0.510 0.000 0.976 100 Y HN -0.164 nan 8.280 nan 0.000 0.505 101 Y N -1.412 118.739 120.300 -0.248 0.000 2.373 101 Y HA -0.148 4.402 4.550 -0.000 0.000 0.293 101 Y C 2.437 178.262 175.900 -0.126 0.000 1.129 101 Y CA 1.136 59.105 58.100 -0.219 0.000 1.226 101 Y CB -0.735 37.385 38.460 -0.566 0.000 1.000 101 Y HN -0.018 nan 8.280 nan 0.000 0.549 102 V N 0.258 120.143 119.914 -0.049 0.000 2.307 102 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 102 V C 1.554 177.612 176.094 -0.060 0.000 1.045 102 V CA 2.215 64.510 62.300 -0.009 0.000 1.024 102 V CB -0.627 31.192 31.823 -0.006 0.000 0.651 102 V HN 0.413 nan 8.190 nan 0.000 0.449 103 N N 0.293 118.896 118.700 -0.162 0.000 2.331 103 N HA -0.032 4.708 4.740 -0.000 0.000 0.180 103 N C 1.811 177.191 175.510 -0.217 0.000 1.019 103 N CA 1.163 54.103 53.050 -0.183 0.000 0.881 103 N CB -0.331 38.025 38.487 -0.219 0.000 0.972 103 N HN 0.469 nan 8.380 nan 0.000 0.435 104 A N 0.846 123.492 122.820 -0.290 0.000 1.873 104 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 104 A C 2.061 179.579 177.584 -0.110 0.000 1.186 104 A CA 0.996 52.873 52.037 -0.266 0.000 0.616 104 A CB -0.764 18.087 19.000 -0.248 0.000 0.823 104 A HN 0.189 nan 8.150 nan 0.000 0.442 105 L N -0.748 120.496 121.223 0.035 0.000 2.083 105 L HA -0.191 4.148 4.340 -0.000 0.000 0.209 105 L C 3.089 179.912 176.870 -0.077 0.000 1.083 105 L CA 0.959 55.822 54.840 0.038 0.000 0.752 105 L CB -0.601 41.544 42.059 0.143 0.000 0.899 105 L HN 0.456 nan 8.230 nan 0.000 0.433 106 A N -0.301 122.479 122.820 -0.066 0.000 1.877 106 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 106 A C 2.088 179.632 177.584 -0.068 0.000 1.186 106 A CA 1.939 53.935 52.037 -0.069 0.000 0.620 106 A CB -0.626 18.334 19.000 -0.067 0.000 0.822 106 A HN 0.360 nan 8.150 nan 0.000 0.443 107 D N -0.263 120.081 120.400 -0.092 0.000 2.116 107 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 107 D C 2.108 178.332 176.300 -0.126 0.000 0.998 107 D CA 1.801 55.751 54.000 -0.084 0.000 0.836 107 D CB -0.083 40.639 40.800 -0.129 0.000 0.951 107 D HN 0.210 nan 8.370 nan 0.000 0.449 108 V N 1.189 120.974 119.914 -0.214 0.000 2.295 108 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 108 V C 2.719 178.635 176.094 -0.297 0.000 1.049 108 V CA 1.169 63.281 62.300 -0.314 0.000 1.024 108 V CB -0.481 31.037 31.823 -0.509 0.000 0.648 108 V HN 0.195 nan 8.190 nan 0.000 0.447 109 L N -1.629 119.403 121.223 -0.318 0.000 2.083 109 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 109 L C 2.458 179.274 176.870 -0.091 0.000 1.083 109 L CA 1.852 56.449 54.840 -0.405 0.000 0.752 109 L CB -0.537 41.296 42.059 -0.377 0.000 0.899 109 L HN 0.379 nan 8.230 nan 0.000 0.433 110 Y N 1.123 121.338 120.300 -0.141 0.000 2.347 110 Y HA -0.043 4.507 4.550 -0.000 0.000 0.294 110 Y C 1.285 177.158 175.900 -0.045 0.000 1.117 110 Y CA 0.617 58.677 58.100 -0.066 0.000 1.184 110 Y CB 0.467 38.887 38.460 -0.066 0.000 1.047 110 Y HN 0.052 nan 8.280 nan 0.000 0.546 111 K N 0.624 120.944 120.400 -0.133 0.000 3.262 111 K HA 0.252 4.572 4.320 -0.000 0.000 0.166 111 K C -0.922 175.553 176.600 -0.207 0.000 1.091 111 K CA -0.269 55.898 56.287 -0.201 0.000 0.798 111 K CB -0.236 32.176 32.500 -0.148 0.000 0.953 111 K HN 0.067 nan 8.250 nan 0.000 0.588 112 T N -1.525 112.847 114.554 -0.303 0.000 2.832 112 T HA 0.378 4.728 4.350 -0.000 0.000 0.296 112 T C 1.514 175.872 174.700 -0.571 0.000 0.968 112 T CA -0.236 61.551 62.100 -0.521 0.000 1.107 112 T CB 1.832 70.192 68.868 -0.846 0.000 0.916 112 T HN 0.345 nan 8.240 nan 0.000 0.517 113 A N 2.937 125.525 122.820 -0.386 0.000 1.917 113 A HA 0.055 4.374 4.320 -0.000 0.000 0.219 113 A C 1.083 178.574 177.584 -0.154 0.000 1.182 113 A CA 0.901 52.809 52.037 -0.215 0.000 0.633 113 A CB -1.221 17.705 19.000 -0.124 0.000 0.819 113 A HN 1.059 nan 8.150 nan 0.000 0.448 114 F N -1.471 118.339 119.950 -0.234 0.000 3.039 114 F HA -0.159 4.368 4.527 -0.000 0.000 0.287 114 F C 0.261 175.992 175.800 -0.115 0.000 0.956 114 F CA 0.362 58.127 58.000 -0.391 0.000 0.971 114 F CB -1.883 36.822 39.000 -0.493 0.000 0.943 114 F HN 0.115 nan 8.300 nan 0.000 0.766 115 K N 0.446 120.881 120.400 0.058 0.000 2.350 115 K HA 0.152 4.472 4.320 -0.000 0.000 0.279 115 K C -1.322 175.269 176.600 -0.015 0.000 1.027 115 K CA -1.481 54.771 56.287 -0.058 0.000 0.969 115 K CB 0.402 32.702 32.500 -0.333 0.000 0.954 115 K HN -0.037 nan 8.250 nan 0.000 0.474 116 P HA -0.181 nan 4.420 nan 0.000 0.217 116 P C 1.078 178.417 177.300 0.065 0.000 1.148 116 P CA 1.390 64.531 63.100 0.069 0.000 0.828 116 P CB -0.023 31.723 31.700 0.077 0.000 0.783 117 H N -0.789 118.323 119.070 0.071 0.000 2.495 117 H HA 0.101 4.657 4.556 -0.000 0.000 0.287 117 H C 1.316 176.658 175.328 0.024 0.000 1.033 117 H CA 0.794 56.866 56.048 0.039 0.000 1.307 117 H CB -0.496 29.283 29.762 0.028 0.000 1.401 117 H HN 0.204 nan 8.280 nan 0.000 0.555 118 E N 0.636 120.670 120.200 -0.276 0.000 2.152 118 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 118 E C 2.233 178.705 176.600 -0.214 0.000 0.983 118 E CA 0.605 56.900 56.400 -0.175 0.000 0.818 118 E CB 0.127 29.747 29.700 -0.133 0.000 0.758 118 E HN 0.259 nan 8.360 nan 0.000 0.467 119 L N 1.356 122.515 121.223 -0.106 0.000 1.976 119 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 119 L C 2.590 179.394 176.870 -0.109 0.000 1.071 119 L CA 2.555 57.310 54.840 -0.142 0.000 0.746 119 L CB -1.075 41.024 42.059 0.066 0.000 0.890 119 L HN 0.162 nan 8.230 nan 0.000 0.432 120 T N -3.608 110.932 114.554 -0.023 0.000 2.867 120 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 120 T C 1.603 176.301 174.700 -0.004 0.000 1.057 120 T CA 1.579 63.678 62.100 -0.001 0.000 1.136 120 T CB -0.486 68.403 68.868 0.035 0.000 0.874 120 T HN 0.551 nan 8.240 nan 0.000 0.466 121 E N 0.479 120.681 120.200 0.003 0.000 2.276 121 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 121 E C 1.860 178.443 176.600 -0.027 0.000 0.983 121 E CA 0.685 57.089 56.400 0.007 0.000 0.861 121 E CB 0.327 30.059 29.700 0.054 0.000 0.817 121 E HN 0.508 nan 8.360 nan 0.000 0.485 122 S N -0.608 115.043 115.700 -0.081 0.000 2.930 122 S HA 0.051 4.521 4.470 -0.000 0.000 0.253 122 S C 1.922 176.428 174.600 -0.158 0.000 1.083 122 S CA -0.186 57.950 58.200 -0.105 0.000 0.836 122 S CB 0.497 63.632 63.200 -0.109 0.000 0.814 122 S HN -0.048 nan 8.310 nan 0.000 0.467 123 V N 3.043 122.786 119.914 -0.284 0.000 2.283 123 V HA -0.034 4.085 4.120 -0.000 0.000 0.243 123 V C 2.209 178.183 176.094 -0.201 0.000 1.039 123 V CA 1.522 63.618 62.300 -0.341 0.000 1.016 123 V CB -0.777 30.647 31.823 -0.665 0.000 0.650 123 V HN 0.352 nan 8.190 nan 0.000 0.449 124 L N -0.219 120.912 121.223 -0.154 0.000 2.012 124 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 124 L C 0.102 176.981 176.870 0.014 0.000 1.073 124 L CA 1.920 56.722 54.840 -0.063 0.000 0.748 124 L CB -1.848 40.196 42.059 -0.026 0.000 0.891 124 L HN 0.359 nan 8.230 nan 0.000 0.431 125 P HA -0.152 nan 4.420 nan 0.000 0.215 125 P C 1.516 178.873 177.300 0.095 0.000 1.157 125 P CA 1.737 64.866 63.100 0.049 0.000 0.863 125 P CB -0.005 31.703 31.700 0.013 0.000 0.787 126 A N -0.113 122.744 122.820 0.062 0.000 1.933 126 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 126 A C 2.282 180.001 177.584 0.226 0.000 1.175 126 A CA 2.128 54.250 52.037 0.142 0.000 0.628 126 A CB -1.591 17.452 19.000 0.071 0.000 0.814 126 A HN 0.199 nan 8.150 nan 0.000 0.444 127 A N -0.804 122.078 122.820 0.102 0.000 1.929 127 A HA -0.030 4.289 4.320 -0.000 0.000 0.216 127 A C 2.163 179.938 177.584 0.319 0.000 1.176 127 A CA 1.640 53.753 52.037 0.127 0.000 0.628 127 A CB -0.339 18.567 19.000 -0.157 0.000 0.816 127 A HN 0.402 nan 8.150 nan 0.000 0.444 128 R N -1.474 119.181 120.500 0.258 0.000 2.092 128 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 128 R C 1.942 178.417 176.300 0.291 0.000 1.119 128 R CA 1.718 57.982 56.100 0.275 0.000 0.970 128 R CB -0.743 29.680 30.300 0.204 0.000 0.864 128 R HN 0.741 nan 8.270 nan 0.000 0.440 129 Y N 0.939 121.324 120.300 0.141 0.000 2.200 129 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 129 Y C 1.360 177.331 175.900 0.119 0.000 1.137 129 Y CA 1.604 59.767 58.100 0.104 0.000 1.163 129 Y CB -0.230 38.275 38.460 0.076 0.000 0.988 129 Y HN 0.029 nan 8.280 nan 0.000 0.518 130 D N -0.340 120.051 120.400 -0.014 0.000 2.097 130 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 130 D C 1.932 178.213 176.300 -0.032 0.000 0.989 130 D CA 1.827 55.762 54.000 -0.109 0.000 0.827 130 D CB -0.879 40.036 40.800 0.192 0.000 0.966 130 D HN 0.495 nan 8.370 nan 0.000 0.456 131 Y N 1.489 121.794 120.300 0.009 0.000 2.274 131 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 131 Y C 2.144 178.024 175.900 -0.034 0.000 1.145 131 Y CA 1.176 59.269 58.100 -0.013 0.000 1.203 131 Y CB -0.382 38.104 38.460 0.043 0.000 0.984 131 Y HN -0.058 nan 8.280 nan 0.000 0.533 132 A N -0.833 121.923 122.820 -0.107 0.000 1.898 132 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 132 A C 2.350 179.820 177.584 -0.190 0.000 1.181 132 A CA 1.842 53.783 52.037 -0.160 0.000 0.620 132 A CB -1.223 17.778 19.000 0.002 0.000 0.819 132 A HN 0.279 nan 8.150 nan 0.000 0.442 133 V N -0.132 119.651 119.914 -0.217 0.000 2.343 133 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 133 V C 2.991 178.975 176.094 -0.184 0.000 1.051 133 V CA 1.980 64.155 62.300 -0.208 0.000 1.036 133 V CB -1.148 30.485 31.823 -0.316 0.000 0.654 133 V HN 0.596 nan 8.190 nan 0.000 0.451 134 A N -0.688 122.005 122.820 -0.211 0.000 2.014 134 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 134 A C 2.242 179.688 177.584 -0.230 0.000 1.163 134 A CA 1.413 53.333 52.037 -0.195 0.000 0.652 134 A CB -0.429 18.476 19.000 -0.158 0.000 0.808 134 A HN 0.600 nan 8.150 nan 0.000 0.449 135 E N -0.419 119.580 120.200 -0.335 0.000 2.338 135 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 135 E C 1.468 178.021 176.600 -0.078 0.000 1.007 135 E CA 0.845 57.052 56.400 -0.321 0.000 0.849 135 E CB -0.016 29.360 29.700 -0.541 0.000 0.774 135 E HN 0.747 nan 8.360 nan 0.000 0.506 136 Q N -0.804 118.963 119.800 -0.055 0.000 2.282 136 Q HA 0.135 4.475 4.340 -0.000 0.000 0.206 136 Q C -0.339 175.711 176.000 0.084 0.000 0.878 136 Q CA -0.186 55.669 55.803 0.087 0.000 0.944 136 Q CB 1.090 29.844 28.738 0.026 0.000 1.100 136 Q HN 0.096 nan 8.270 nan 0.000 0.509 137 C N 2.344 121.597 119.300 -0.077 0.000 2.239 137 C HA 0.373 4.832 4.460 -0.000 0.000 0.323 137 C C -1.272 173.527 174.990 -0.319 0.000 1.205 137 C CA -2.326 56.603 59.018 -0.148 0.000 1.584 137 C CB 0.657 28.306 27.740 -0.152 0.000 2.201 137 C HN 0.344 nan 8.230 nan 0.000 0.475 138 P HA -0.145 nan 4.420 nan 0.000 0.218 138 P C 1.470 178.519 177.300 -0.419 0.000 1.148 138 P CA 2.058 64.760 63.100 -0.664 0.000 0.822 138 P CB -0.146 31.193 31.700 -0.601 0.000 0.784 139 V N -1.479 118.216 119.914 -0.365 0.000 2.427 139 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 139 V C 2.343 178.167 176.094 -0.450 0.000 1.051 139 V CA 1.529 63.541 62.300 -0.480 0.000 1.048 139 V CB -1.582 29.862 31.823 -0.632 0.000 0.666 139 V HN -0.019 nan 8.190 nan 0.000 0.456 140 K N 0.940 121.140 120.400 -0.334 0.000 2.155 140 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 140 K C 2.403 178.907 176.600 -0.160 0.000 1.052 140 K CA 1.466 57.618 56.287 -0.225 0.000 0.948 140 K CB -0.246 32.141 32.500 -0.189 0.000 0.728 140 K HN 0.556 nan 8.250 nan 0.000 0.448 141 S N 1.023 116.596 115.700 -0.213 0.000 2.402 141 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 141 S C 2.065 176.599 174.600 -0.109 0.000 1.021 141 S CA 1.118 59.214 58.200 -0.174 0.000 0.974 141 S CB -0.076 62.948 63.200 -0.292 0.000 0.800 141 S HN 0.400 nan 8.310 nan 0.000 0.484 142 A N 1.666 124.417 122.820 -0.115 0.000 1.854 142 A HA -0.059 4.261 4.320 -0.000 0.000 0.214 142 A C 2.010 179.664 177.584 0.116 0.000 1.192 142 A CA 1.412 53.443 52.037 -0.010 0.000 0.611 142 A CB -0.711 18.310 19.000 0.035 0.000 0.832 142 A HN 0.517 nan 8.150 nan 0.000 0.442 143 E N -0.228 120.071 120.200 0.165 0.000 2.171 143 E HA -0.282 4.068 4.350 -0.000 0.000 0.197 143 E C 1.303 178.086 176.600 0.306 0.000 0.997 143 E CA 1.671 58.259 56.400 0.314 0.000 0.810 143 E CB -0.152 29.692 29.700 0.240 0.000 0.738 143 E HN 0.614 nan 8.360 nan 0.000 0.467 144 D N -0.398 120.089 120.400 0.145 0.000 2.123 144 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 144 D C 1.977 178.364 176.300 0.145 0.000 0.976 144 D CA 0.735 54.809 54.000 0.122 0.000 0.831 144 D CB 0.041 40.863 40.800 0.036 0.000 0.974 144 D HN 0.087 nan 8.370 nan 0.000 0.469 145 Q N -0.114 119.738 119.800 0.087 0.000 2.170 145 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 145 Q C 2.059 178.097 176.000 0.064 0.000 0.976 145 Q CA 0.506 56.341 55.803 0.053 0.000 0.858 145 Q CB -0.240 28.498 28.738 0.001 0.000 0.907 145 Q HN 0.282 nan 8.270 nan 0.000 0.433 146 L N -0.642 120.638 121.223 0.095 0.000 1.994 146 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 146 L C 2.093 178.967 176.870 0.007 0.000 1.071 146 L CA 1.723 56.581 54.840 0.029 0.000 0.745 146 L CB -1.146 40.925 42.059 0.020 0.000 0.892 146 L HN 0.187 nan 8.230 nan 0.000 0.431 147 Y N -0.674 119.661 120.300 0.059 0.000 2.181 147 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 147 Y C 2.464 178.421 175.900 0.095 0.000 1.146 147 Y CA 1.512 59.690 58.100 0.129 0.000 1.164 147 Y CB -0.786 37.796 38.460 0.204 0.000 0.982 147 Y HN 0.215 nan 8.280 nan 0.000 0.515 148 A N 0.258 123.207 122.820 0.216 0.000 2.019 148 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 148 A C 2.136 179.742 177.584 0.036 0.000 1.164 148 A CA 1.898 54.005 52.037 0.116 0.000 0.644 148 A CB -1.173 17.871 19.000 0.073 0.000 0.805 148 A HN 0.656 nan 8.150 nan 0.000 0.449 149 I N -2.789 117.781 120.570 -0.000 0.000 2.731 149 I HA -0.026 4.143 4.170 -0.000 0.000 0.260 149 I C 2.324 178.400 176.117 -0.067 0.000 1.138 149 I CA 1.461 62.730 61.300 -0.051 0.000 1.461 149 I CB -1.079 36.902 38.000 -0.032 0.000 1.128 149 I HN 0.268 nan 8.210 nan 0.000 0.438 150 T N 0.957 115.424 114.554 -0.145 0.000 2.612 150 T HA -0.042 4.308 4.350 -0.000 0.000 0.259 150 T C 0.609 175.228 174.700 -0.134 0.000 1.065 150 T CA 0.825 62.752 62.100 -0.288 0.000 1.167 150 T CB -1.128 67.248 68.868 -0.820 0.000 0.863 150 T HN 0.223 nan 8.240 nan 0.000 0.407 151 F N 2.244 122.314 119.950 0.199 0.000 2.406 151 F HA 0.564 5.091 4.527 -0.000 0.000 0.358 151 F C 1.408 177.289 175.800 0.134 0.000 1.161 151 F CA -1.467 56.660 58.000 0.212 0.000 1.185 151 F CB 0.115 39.207 39.000 0.153 0.000 1.421 151 F HN -0.021 nan 8.300 nan 0.000 0.576 152 R N 1.257 121.885 120.500 0.213 0.000 2.397 152 R HA -0.102 4.238 4.340 -0.000 0.000 0.213 152 R C 1.294 177.635 176.300 0.068 0.000 1.102 152 R CA 1.083 57.199 56.100 0.026 0.000 1.040 152 R CB -0.008 30.145 30.300 -0.246 0.000 0.844 152 R HN 0.569 nan 8.270 nan 0.000 0.478 153 K N -2.889 117.592 120.400 0.135 0.000 2.434 153 K HA 0.024 4.344 4.320 -0.000 0.000 0.170 153 K C 0.819 177.462 176.600 0.072 0.000 1.738 153 K CA 0.340 56.679 56.287 0.086 0.000 1.027 153 K CB 0.324 32.862 32.500 0.063 0.000 1.595 153 K HN 0.178 nan 8.250 nan 0.000 0.546 154 G N 0.936 109.793 108.800 0.095 0.000 2.682 154 G HA2 0.058 4.018 3.960 -0.000 0.000 0.221 154 G HA3 0.058 4.018 3.960 -0.000 0.000 0.221 154 G C 0.730 175.579 174.900 -0.085 0.000 1.386 154 G CA -0.008 45.085 45.100 -0.012 0.000 0.909 154 G HN 0.028 nan 8.290 nan 0.000 0.558 155 L N 1.822 122.971 121.223 -0.124 0.000 2.591 155 L HA 0.317 4.657 4.340 -0.000 0.000 0.228 155 L C 2.420 179.406 176.870 0.194 0.000 1.133 155 L CA 0.731 55.485 54.840 -0.143 0.000 0.880 155 L CB 0.092 41.880 42.059 -0.451 0.000 1.033 155 L HN 0.306 nan 8.230 nan 0.000 0.450 156 G N -1.244 107.718 108.800 0.271 0.000 3.181 156 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.219 156 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.219 156 G C 0.572 175.545 174.900 0.122 0.000 1.182 156 G CA -0.274 44.996 45.100 0.283 0.000 0.791 156 G HN 0.189 nan 8.290 nan 0.000 0.537 157 N N 1.393 120.123 118.700 0.049 0.000 2.530 157 N HA 0.270 5.010 4.740 -0.000 0.000 0.273 157 N C -2.605 172.894 175.510 -0.017 0.000 1.173 157 N CA -1.561 51.492 53.050 0.004 0.000 0.967 157 N CB 1.167 39.639 38.487 -0.024 0.000 1.109 157 N HN -0.077 nan 8.380 nan 0.000 0.453 158 P HA -0.035 nan 4.420 nan 0.000 0.263 158 P C 0.845 178.116 177.300 -0.048 0.000 1.195 158 P CA -0.179 62.903 63.100 -0.030 0.000 0.762 158 P CB 0.588 32.266 31.700 -0.037 0.000 0.799 159 L N 5.333 126.516 121.223 -0.066 0.000 2.027 159 L HA 0.007 4.347 4.340 -0.000 0.000 0.206 159 L C 0.522 177.335 176.870 -0.095 0.000 1.074 159 L CA 1.837 56.626 54.840 -0.086 0.000 0.745 159 L CB -0.455 41.536 42.059 -0.113 0.000 0.898 159 L HN 0.241 nan 8.230 nan 0.000 0.433 160 L N -1.898 119.261 121.223 -0.106 0.000 2.334 160 L HA 0.229 4.569 4.340 -0.000 0.000 0.270 160 L C -0.718 176.176 176.870 0.040 0.000 1.018 160 L CA -1.046 53.702 54.840 -0.155 0.000 0.811 160 L CB 0.962 42.891 42.059 -0.217 0.000 1.271 160 L HN -0.043 nan 8.230 nan 0.000 0.443 161 Y N 1.329 121.725 120.300 0.160 0.000 2.377 161 Y HA 0.093 4.643 4.550 -0.000 0.000 0.330 161 Y C 0.211 175.964 175.900 -0.246 0.000 1.108 161 Y CA -0.012 58.093 58.100 0.008 0.000 1.308 161 Y CB 0.787 39.288 38.460 0.068 0.000 1.216 161 Y HN 0.731 nan 8.280 nan 0.000 0.518 162 D N 2.048 121.851 120.400 -0.994 0.000 2.538 162 D HA 0.179 4.819 4.640 -0.000 0.000 0.241 162 D C 1.140 176.896 176.300 -0.906 0.000 1.297 162 D CA 0.268 53.614 54.000 -1.091 0.000 0.804 162 D CB 0.272 40.355 40.800 -1.196 0.000 1.122 162 D HN 0.867 nan 8.370 nan 0.000 0.519 163 G N 0.753 108.776 108.800 -1.295 0.000 2.162 163 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 163 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 163 G C 1.282 176.005 174.900 -0.296 0.000 0.976 163 G CA 0.929 45.619 45.100 -0.683 0.000 0.655 163 G HN 0.890 nan 8.290 nan 0.000 0.533 164 V N -1.560 118.191 119.914 -0.272 0.000 2.407 164 V HA 0.173 4.293 4.120 -0.000 0.000 0.248 164 V C 0.965 177.013 176.094 -0.077 0.000 1.055 164 V CA 2.235 64.451 62.300 -0.140 0.000 1.049 164 V CB -0.470 31.282 31.823 -0.119 0.000 0.662 164 V HN 0.971 nan 8.190 nan 0.000 0.455 165 E N 0.278 120.444 120.200 -0.057 0.000 2.266 165 E HA 0.487 4.837 4.350 -0.000 0.000 0.268 165 E C -0.800 175.828 176.600 0.046 0.000 0.879 165 E CA -1.210 55.186 56.400 -0.006 0.000 0.762 165 E CB 1.419 31.117 29.700 -0.003 0.000 1.199 165 E HN 0.174 nan 8.360 nan 0.000 0.422 166 R N 1.422 121.949 120.500 0.044 0.000 2.638 166 R HA 0.160 4.500 4.340 -0.000 0.000 0.268 166 R C -0.389 175.954 176.300 0.071 0.000 1.006 166 R CA -0.179 55.959 56.100 0.065 0.000 1.088 166 R CB 0.142 30.462 30.300 0.033 0.000 0.950 166 R HN 0.445 nan 8.270 nan 0.000 0.419 167 V N 2.073 122.030 119.914 0.072 0.000 2.555 167 V HA 0.103 4.223 4.120 -0.000 0.000 0.283 167 V C 0.221 176.291 176.094 -0.041 0.000 1.020 167 V CA -0.737 61.562 62.300 -0.002 0.000 0.883 167 V CB 1.524 33.315 31.823 -0.052 0.000 1.030 167 V HN 0.973 nan 8.190 nan 0.000 0.448 168 S N 4.559 120.237 115.700 -0.037 0.000 2.686 168 S HA 0.489 4.959 4.470 -0.000 0.000 0.270 168 S C 1.178 175.744 174.600 -0.057 0.000 1.194 168 S CA -0.589 57.590 58.200 -0.036 0.000 0.990 168 S CB 1.266 64.450 63.200 -0.027 0.000 1.029 168 S HN 0.565 nan 8.310 nan 0.000 0.560 169 L N 0.053 121.253 121.223 -0.039 0.000 2.131 169 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 169 L C 2.768 179.551 176.870 -0.146 0.000 1.092 169 L CA 1.834 56.645 54.840 -0.048 0.000 0.759 169 L CB -0.606 41.453 42.059 -0.001 0.000 0.903 169 L HN 0.876 nan 8.230 nan 0.000 0.435 170 Q N 0.284 120.014 119.800 -0.116 0.000 2.050 170 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 170 Q C 1.695 177.603 176.000 -0.153 0.000 0.980 170 Q CA 2.031 57.752 55.803 -0.138 0.000 0.840 170 Q CB -0.098 28.588 28.738 -0.086 0.000 0.898 170 Q HN 0.432 nan 8.270 nan 0.000 0.424 171 D N -0.274 120.059 120.400 -0.112 0.000 2.149 171 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 171 D C 1.782 178.013 176.300 -0.115 0.000 0.990 171 D CA 1.237 55.184 54.000 -0.090 0.000 0.839 171 D CB -0.148 40.611 40.800 -0.068 0.000 0.948 171 D HN 0.397 nan 8.370 nan 0.000 0.460 172 I N 0.382 120.843 120.570 -0.181 0.000 2.439 172 I HA -0.184 3.986 4.170 -0.000 0.000 0.251 172 I C 2.352 178.208 176.117 -0.434 0.000 1.139 172 I CA 0.831 61.992 61.300 -0.231 0.000 1.438 172 I CB -0.072 37.806 38.000 -0.203 0.000 1.085 172 I HN -0.088 nan 8.210 nan 0.000 0.427 173 K N 0.721 120.783 120.400 -0.562 0.000 2.031 173 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 173 K C 1.709 178.095 176.600 -0.356 0.000 1.049 173 K CA 1.403 57.273 56.287 -0.695 0.000 0.939 173 K CB 0.002 32.158 32.500 -0.573 0.000 0.717 173 K HN 0.172 nan 8.250 nan 0.000 0.438 174 D N 0.301 120.573 120.400 -0.214 0.000 2.123 174 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 174 D C 1.590 177.829 176.300 -0.101 0.000 0.992 174 D CA 0.990 54.914 54.000 -0.127 0.000 0.833 174 D CB -0.253 40.504 40.800 -0.072 0.000 0.954 174 D HN 0.099 nan 8.370 nan 0.000 0.455 175 F N 1.372 121.196 119.950 -0.210 0.000 2.171 175 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 175 F C 2.173 177.813 175.800 -0.267 0.000 1.090 175 F CA 1.276 59.160 58.000 -0.194 0.000 1.293 175 F CB -0.092 38.808 39.000 -0.166 0.000 1.013 175 F HN -0.067 nan 8.300 nan 0.000 0.486 176 A N -0.352 122.317 122.820 -0.252 0.000 1.969 176 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 176 A C 1.973 179.369 177.584 -0.313 0.000 1.169 176 A CA 1.772 53.562 52.037 -0.413 0.000 0.635 176 A CB -0.793 18.090 19.000 -0.195 0.000 0.810 176 A HN 0.385 nan 8.150 nan 0.000 0.445 177 D N -0.017 120.249 120.400 -0.223 0.000 2.117 177 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 177 D C 1.952 178.149 176.300 -0.172 0.000 0.982 177 D CA 1.291 55.205 54.000 -0.144 0.000 0.828 177 D CB -0.175 40.550 40.800 -0.125 0.000 0.967 177 D HN 0.488 nan 8.370 nan 0.000 0.464 178 K N 0.306 120.545 120.400 -0.268 0.000 2.001 178 K HA -0.041 4.279 4.320 -0.000 0.000 0.208 178 K C 2.221 178.623 176.600 -0.330 0.000 1.048 178 K CA 0.691 56.806 56.287 -0.286 0.000 0.932 178 K CB -0.152 32.145 32.500 -0.339 0.000 0.715 178 K HN -0.030 nan 8.250 nan 0.000 0.437 179 V N 0.598 120.189 119.914 -0.538 0.000 2.453 179 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 179 V C 1.001 177.013 176.094 -0.137 0.000 1.048 179 V CA 1.171 63.192 62.300 -0.464 0.000 1.049 179 V CB -0.430 30.937 31.823 -0.760 0.000 0.672 179 V HN 0.265 nan 8.190 nan 0.000 0.457 180 Y N 1.931 122.155 120.300 -0.128 0.000 2.632 180 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 180 Y C 0.711 176.594 175.900 -0.029 0.000 1.237 180 Y CA -0.610 57.462 58.100 -0.047 0.000 1.595 180 Y CB 0.010 38.461 38.460 -0.015 0.000 1.508 180 Y HN 0.292 nan 8.280 nan 0.000 0.480 181 T N -2.758 111.871 114.554 0.126 0.000 2.883 181 T HA 0.296 4.646 4.350 -0.000 0.000 0.301 181 T C 0.572 175.305 174.700 0.056 0.000 1.158 181 T CA -1.206 60.934 62.100 0.066 0.000 1.007 181 T CB 2.096 70.971 68.868 0.011 0.000 1.186 181 T HN 0.360 nan 8.240 nan 0.000 0.499 182 K N 0.130 120.554 120.400 0.040 0.000 2.147 182 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 182 K C 1.431 178.049 176.600 0.029 0.000 1.049 182 K CA 1.111 57.418 56.287 0.033 0.000 0.936 182 K CB 0.051 32.563 32.500 0.020 0.000 0.722 182 K HN 0.549 nan 8.250 nan 0.000 0.446 183 E N 0.458 120.666 120.200 0.013 0.000 2.502 183 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 183 E C 0.581 177.175 176.600 -0.011 0.000 1.062 183 E CA 0.397 56.795 56.400 -0.003 0.000 0.867 183 E CB 0.178 29.865 29.700 -0.022 0.000 0.888 183 E HN 0.171 nan 8.360 nan 0.000 0.510 184 N N 0.109 118.817 118.700 0.014 0.000 2.160 184 N HA 0.073 4.813 4.740 -0.000 0.000 0.226 184 N C -0.584 175.013 175.510 0.146 0.000 1.256 184 N CA -0.004 53.060 53.050 0.024 0.000 0.890 184 N CB 0.604 39.062 38.487 -0.048 0.000 1.116 184 N HN 0.017 nan 8.380 nan 0.000 0.517 185 L N -1.893 119.413 121.223 0.138 0.000 2.303 185 L HA 0.792 5.132 4.340 -0.000 0.000 0.256 185 L C -0.952 176.008 176.870 0.150 0.000 1.034 185 L CA -0.733 54.203 54.840 0.161 0.000 0.832 185 L CB 1.896 44.029 42.059 0.123 0.000 1.403 185 L HN -0.166 nan 8.230 nan 0.000 0.419 186 E N 0.412 120.703 120.200 0.151 0.000 2.287 186 E HA 0.526 4.876 4.350 -0.000 0.000 0.274 186 E C -1.486 175.178 176.600 0.107 0.000 0.896 186 E CA -0.829 55.650 56.400 0.131 0.000 0.788 186 E CB 2.584 32.383 29.700 0.165 0.000 1.244 186 E HN 0.481 nan 8.360 nan 0.000 0.408 187 V N 2.079 122.046 119.914 0.089 0.000 2.583 187 V HA 0.362 4.482 4.120 -0.000 0.000 0.287 187 V C 0.070 176.212 176.094 0.080 0.000 1.051 187 V CA -0.019 62.332 62.300 0.085 0.000 1.010 187 V CB 1.456 33.327 31.823 0.081 0.000 0.988 187 V HN 0.633 nan 8.190 nan 0.000 0.478 188 S N 3.334 119.081 115.700 0.078 0.000 2.609 188 S HA 0.570 5.040 4.470 -0.000 0.000 0.250 188 S C -0.251 174.386 174.600 0.063 0.000 1.112 188 S CA -0.183 58.054 58.200 0.062 0.000 1.102 188 S CB 0.605 63.831 63.200 0.044 0.000 1.124 188 S HN 1.116 nan 8.310 nan 0.000 0.460 189 G N 2.811 111.652 108.800 0.067 0.000 2.384 189 G HA2 0.512 4.472 3.960 -0.000 0.000 0.316 189 G HA3 0.512 4.472 3.960 -0.000 0.000 0.316 189 G C -0.624 174.292 174.900 0.026 0.000 1.160 189 G CA -0.439 44.702 45.100 0.068 0.000 0.936 189 G HN 0.577 nan 8.290 nan 0.000 0.455 190 E N 2.256 122.449 120.200 -0.011 0.000 2.283 190 E HA 0.204 4.554 4.350 -0.000 0.000 0.278 190 E C 0.942 177.500 176.600 -0.070 0.000 1.027 190 E CA -0.256 56.121 56.400 -0.039 0.000 0.843 190 E CB 0.349 30.016 29.700 -0.055 0.000 1.062 190 E HN 0.547 nan 8.360 nan 0.000 0.401 191 N N 2.504 121.171 118.700 -0.055 0.000 2.783 191 N HA -0.139 4.601 4.740 -0.000 0.000 0.247 191 N C -1.578 173.904 175.510 -0.045 0.000 1.089 191 N CA 0.757 53.768 53.050 -0.066 0.000 0.690 191 N CB -0.666 37.753 38.487 -0.114 0.000 0.991 191 N HN 0.187 nan 8.380 nan 0.000 0.552 192 V N 0.758 120.672 119.914 -0.000 0.000 2.876 192 V HA 0.410 4.530 4.120 -0.000 0.000 0.312 192 V C 0.565 176.691 176.094 0.054 0.000 1.085 192 V CA -0.996 61.333 62.300 0.049 0.000 0.945 192 V CB 2.133 34.011 31.823 0.093 0.000 1.017 192 V HN 0.106 nan 8.190 nan 0.000 0.428 193 V N 0.739 120.696 119.914 0.071 0.000 2.397 193 V HA 0.268 4.388 4.120 -0.000 0.000 0.262 193 V C 1.240 177.368 176.094 0.056 0.000 1.047 193 V CA 0.230 62.563 62.300 0.055 0.000 1.003 193 V CB 0.242 32.098 31.823 0.056 0.000 1.037 193 V HN 1.037 nan 8.190 nan 0.000 0.480 194 E N 4.137 124.361 120.200 0.039 0.000 2.187 194 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 194 E C 2.049 178.660 176.600 0.017 0.000 1.004 194 E CA 1.868 58.288 56.400 0.034 0.000 0.813 194 E CB 0.003 29.717 29.700 0.024 0.000 0.736 194 E HN 0.992 nan 8.360 nan 0.000 0.468 195 A N 1.308 124.130 122.820 0.003 0.000 1.851 195 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 195 A C 1.946 179.488 177.584 -0.070 0.000 1.195 195 A CA 1.933 53.953 52.037 -0.028 0.000 0.622 195 A CB -0.632 18.352 19.000 -0.027 0.000 0.831 195 A HN 0.288 nan 8.150 nan 0.000 0.444 196 D N -0.591 119.773 120.400 -0.060 0.000 2.144 196 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 196 D C 1.880 178.133 176.300 -0.078 0.000 0.978 196 D CA 1.207 55.108 54.000 -0.166 0.000 0.833 196 D CB -0.281 40.533 40.800 0.023 0.000 0.961 196 D HN 0.307 nan 8.370 nan 0.000 0.470 197 L N 1.731 123.010 121.223 0.094 0.000 1.994 197 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 197 L C 2.030 178.959 176.870 0.098 0.000 1.071 197 L CA 1.845 56.786 54.840 0.169 0.000 0.745 197 L CB -0.440 41.703 42.059 0.140 0.000 0.892 197 L HN -0.183 nan 8.230 nan 0.000 0.431 198 K N -0.859 119.559 120.400 0.030 0.000 2.103 198 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 198 K C 2.279 178.864 176.600 -0.025 0.000 1.048 198 K CA 1.664 57.957 56.287 0.010 0.000 0.930 198 K CB -0.274 32.224 32.500 -0.004 0.000 0.716 198 K HN 0.345 nan 8.250 nan 0.000 0.444 199 R N 0.625 121.057 120.500 -0.113 0.000 2.070 199 R HA -0.146 4.194 4.340 -0.000 0.000 0.233 199 R C 2.082 178.292 176.300 -0.150 0.000 1.137 199 R CA 1.686 57.661 56.100 -0.207 0.000 0.945 199 R CB -0.384 29.671 30.300 -0.410 0.000 0.845 199 R HN 0.142 nan 8.270 nan 0.000 0.430 200 F N 0.304 120.264 119.950 0.016 0.000 2.186 200 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 200 F C 2.429 178.231 175.800 0.002 0.000 1.090 200 F CA 0.634 58.641 58.000 0.012 0.000 1.307 200 F CB -0.095 38.920 39.000 0.025 0.000 1.019 200 F HN -0.112 nan 8.300 nan 0.000 0.489 201 V N -0.050 119.972 119.914 0.180 0.000 2.343 201 V HA -0.301 3.818 4.120 -0.000 0.000 0.247 201 V C 1.766 177.891 176.094 0.052 0.000 1.051 201 V CA 2.050 64.410 62.300 0.099 0.000 1.036 201 V CB -0.455 31.414 31.823 0.078 0.000 0.654 201 V HN 0.340 nan 8.190 nan 0.000 0.451 202 D N -0.725 119.696 120.400 0.035 0.000 2.277 202 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 202 D C 1.932 178.236 176.300 0.007 0.000 0.962 202 D CA 0.728 54.733 54.000 0.008 0.000 0.865 202 D CB 0.140 40.937 40.800 -0.006 0.000 0.939 202 D HN 0.545 nan 8.370 nan 0.000 0.510 203 E N 0.920 121.143 120.200 0.037 0.000 2.489 203 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 203 E C 0.638 177.264 176.600 0.043 0.000 1.057 203 E CA -0.186 56.243 56.400 0.048 0.000 0.866 203 E CB 0.402 30.160 29.700 0.097 0.000 0.916 203 E HN 0.148 nan 8.360 nan 0.000 0.500 204 S N -1.076 114.638 115.700 0.024 0.000 2.694 204 S HA 0.218 4.688 4.470 -0.000 0.000 0.286 204 S C 0.699 175.253 174.600 -0.077 0.000 1.080 204 S CA -0.650 57.540 58.200 -0.017 0.000 0.953 204 S CB 0.385 63.582 63.200 -0.004 0.000 1.313 204 S HN 0.081 nan 8.310 nan 0.000 0.555 205 L N 0.913 122.066 121.223 -0.117 0.000 2.592 205 L HA 0.305 4.645 4.340 -0.000 0.000 0.227 205 L C 1.892 178.640 176.870 -0.204 0.000 1.127 205 L CA 0.360 55.062 54.840 -0.230 0.000 0.884 205 L CB -0.681 41.211 42.059 -0.279 0.000 1.065 205 L HN 0.533 nan 8.230 nan 0.000 0.457 206 L N -0.243 120.920 121.223 -0.100 0.000 2.017 206 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 206 L C 2.582 179.417 176.870 -0.059 0.000 1.073 206 L CA 2.190 56.996 54.840 -0.057 0.000 0.745 206 L CB -1.284 40.766 42.059 -0.015 0.000 0.894 206 L HN 0.506 nan 8.230 nan 0.000 0.432 207 S N -2.528 113.135 115.700 -0.062 0.000 2.474 207 S HA -0.101 4.368 4.470 -0.000 0.000 0.235 207 S C 1.646 176.198 174.600 -0.080 0.000 0.997 207 S CA 1.169 59.337 58.200 -0.053 0.000 0.949 207 S CB -0.524 62.652 63.200 -0.040 0.000 0.766 207 S HN 0.397 nan 8.310 nan 0.000 0.517 208 T N 2.041 116.503 114.554 -0.153 0.000 3.081 208 T HA 0.319 4.669 4.350 -0.000 0.000 0.255 208 T C 0.519 175.129 174.700 -0.150 0.000 1.113 208 T CA -0.073 61.902 62.100 -0.208 0.000 1.082 208 T CB -0.317 68.308 68.868 -0.405 0.000 0.939 208 T HN 0.338 nan 8.240 nan 0.000 0.506 209 L N 3.926 125.099 121.223 -0.083 0.000 2.499 209 L HA 0.157 4.497 4.340 -0.000 0.000 0.273 209 L C -1.798 175.113 176.870 0.068 0.000 1.195 209 L CA -1.664 53.222 54.840 0.076 0.000 0.882 209 L CB 0.006 42.113 42.059 0.080 0.000 1.133 209 L HN -0.054 nan 8.230 nan 0.000 0.483 210 P HA 0.027 nan 4.420 nan 0.000 0.267 210 P C -0.467 176.853 177.300 0.034 0.000 1.328 210 P CA -0.261 62.873 63.100 0.057 0.000 0.990 210 P CB 0.523 32.259 31.700 0.061 0.000 1.168 211 A N 4.176 127.008 122.820 0.020 0.000 2.500 211 A HA 0.386 4.706 4.320 -0.000 0.000 0.285 211 A C 1.308 178.889 177.584 -0.005 0.000 1.183 211 A CA 0.343 52.385 52.037 0.009 0.000 0.851 211 A CB -0.541 18.461 19.000 0.004 0.000 1.091 211 A HN 0.570 nan 8.150 nan 0.000 0.521 212 G N 2.330 111.122 108.800 -0.015 0.000 3.286 212 G HA2 0.407 4.367 3.960 -0.000 0.000 0.173 212 G HA3 0.407 4.367 3.960 -0.000 0.000 0.173 212 G C 0.230 175.103 174.900 -0.044 0.000 1.704 212 G CA -0.389 44.691 45.100 -0.033 0.000 1.041 212 G HN 0.676 nan 8.290 nan 0.000 0.561 213 K N -0.778 119.582 120.400 -0.066 0.000 2.258 213 K HA 0.574 4.894 4.320 -0.000 0.000 0.236 213 K C -1.007 175.524 176.600 -0.114 0.000 1.008 213 K CA -0.461 55.779 56.287 -0.079 0.000 0.869 213 K CB 1.961 34.415 32.500 -0.078 0.000 1.171 213 K HN 0.312 nan 8.250 nan 0.000 0.447 214 S N 1.142 116.764 115.700 -0.130 0.000 2.437 214 S HA 0.280 4.750 4.470 -0.000 0.000 0.305 214 S C 0.168 174.628 174.600 -0.234 0.000 1.109 214 S CA -0.687 57.394 58.200 -0.199 0.000 1.099 214 S CB 0.407 63.498 63.200 -0.181 0.000 1.004 214 S HN 0.578 nan 8.310 nan 0.000 0.475 215 L N 5.428 126.436 121.223 -0.359 0.000 2.653 215 L HA 0.327 4.667 4.340 -0.000 0.000 0.232 215 L C -0.305 176.424 176.870 -0.234 0.000 1.169 215 L CA -0.065 54.585 54.840 -0.316 0.000 0.951 215 L CB 0.328 42.137 42.059 -0.416 0.000 1.181 215 L HN 0.516 nan 8.230 nan 0.000 0.460 216 V N 0.111 119.858 119.914 -0.279 0.000 2.242 216 V HA 0.013 4.133 4.120 -0.000 0.000 0.242 216 V C 0.890 176.951 176.094 -0.055 0.000 1.240 216 V CA 0.103 62.307 62.300 -0.160 0.000 1.211 216 V CB 0.061 31.688 31.823 -0.328 0.000 1.338 216 V HN 0.279 nan 8.190 nan 0.000 0.499 217 S N 3.073 118.780 115.700 0.012 0.000 2.549 217 S HA 0.177 4.647 4.470 -0.000 0.000 0.279 217 S C 1.234 175.842 174.600 0.013 0.000 1.321 217 S CA -0.396 57.808 58.200 0.006 0.000 1.054 217 S CB 0.816 64.027 63.200 0.018 0.000 0.899 217 S HN 0.827 nan 8.310 nan 0.000 0.497 218 K N 3.238 123.642 120.400 0.008 0.000 2.186 218 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 218 K C 0.595 177.208 176.600 0.020 0.000 1.052 218 K CA 0.602 56.901 56.287 0.020 0.000 0.965 218 K CB -0.251 32.260 32.500 0.017 0.000 0.746 218 K HN 0.726 nan 8.250 nan 0.000 0.457 219 S N 1.933 117.637 115.700 0.007 0.000 2.544 219 S HA -0.020 4.450 4.470 -0.000 0.000 0.290 219 S C -0.450 174.149 174.600 -0.002 0.000 1.276 219 S CA -0.437 57.762 58.200 -0.001 0.000 1.075 219 S CB 0.423 63.615 63.200 -0.012 0.000 0.849 219 S HN 0.219 nan 8.310 nan 0.000 0.494 220 E N 3.574 123.774 120.200 0.001 0.000 2.452 220 E HA 0.096 4.446 4.350 -0.000 0.000 0.261 220 E C -2.104 174.473 176.600 -0.039 0.000 0.987 220 E CA -1.057 55.353 56.400 0.017 0.000 0.926 220 E CB -0.222 29.498 29.700 0.032 0.000 0.934 220 E HN 0.513 nan 8.360 nan 0.000 0.452 221 P HA -0.030 nan 4.420 nan 0.000 0.268 221 P C -0.690 176.561 177.300 -0.081 0.000 1.204 221 P CA 0.075 63.178 63.100 0.006 0.000 0.768 221 P CB 0.434 32.135 31.700 0.002 0.000 0.842 222 K N 4.452 124.801 120.400 -0.086 0.000 2.110 222 K HA 0.124 4.444 4.320 -0.000 0.000 0.260 222 K C -0.311 176.217 176.600 -0.121 0.000 1.126 222 K CA -0.369 55.761 56.287 -0.262 0.000 1.005 222 K CB -0.738 31.655 32.500 -0.177 0.000 1.336 222 K HN 0.323 nan 8.250 nan 0.000 0.369 223 F N 1.425 121.428 119.950 0.089 0.000 2.380 223 F HA 0.481 5.008 4.527 -0.000 0.000 0.325 223 F C -0.293 175.433 175.800 -0.123 0.000 1.136 223 F CA -1.132 56.937 58.000 0.114 0.000 1.171 223 F CB 0.155 39.204 39.000 0.083 0.000 1.230 223 F HN 0.010 nan 8.300 nan 0.000 0.554 224 F N 0.964 121.032 119.950 0.197 0.000 2.541 224 F HA 0.775 5.302 4.527 -0.000 0.000 0.331 224 F C -0.257 175.592 175.800 0.081 0.000 1.057 224 F CA -1.098 56.969 58.000 0.112 0.000 0.975 224 F CB 1.608 40.637 39.000 0.048 0.000 1.246 224 F HN 0.321 nan 8.300 nan 0.000 0.484 225 L N -0.129 121.232 121.223 0.230 0.000 2.350 225 L HA 0.643 4.983 4.340 -0.000 0.000 0.260 225 L C 0.442 177.360 176.870 0.080 0.000 1.015 225 L CA -0.981 53.928 54.840 0.116 0.000 0.821 225 L CB 2.107 44.210 42.059 0.074 0.000 1.370 225 L HN 0.784 nan 8.230 nan 0.000 0.416 226 G N 0.552 109.360 108.800 0.012 0.000 2.176 226 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.252 226 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.252 226 G C -0.087 174.836 174.900 0.037 0.000 1.024 226 G CA -0.169 44.917 45.100 -0.023 0.000 0.755 226 G HN 0.498 nan 8.290 nan 0.000 0.507 227 E N 0.433 120.676 120.200 0.070 0.000 2.204 227 E HA 0.533 4.883 4.350 -0.000 0.000 0.276 227 E C 0.389 177.052 176.600 0.104 0.000 0.974 227 E CA -0.267 56.177 56.400 0.073 0.000 0.815 227 E CB 1.570 31.300 29.700 0.052 0.000 1.119 227 E HN 0.814 nan 8.360 nan 0.000 0.393 228 E N 1.899 122.161 120.200 0.104 0.000 2.356 228 E HA 0.556 4.906 4.350 -0.000 0.000 0.275 228 E C -1.012 175.628 176.600 0.067 0.000 0.904 228 E CA -0.975 55.507 56.400 0.136 0.000 0.757 228 E CB 1.849 31.702 29.700 0.255 0.000 1.232 228 E HN 0.120 nan 8.360 nan 0.000 0.442 229 N N 1.139 119.843 118.700 0.007 0.000 2.287 229 N HA 0.388 5.128 4.740 -0.000 0.000 0.289 229 N C -1.756 173.705 175.510 -0.082 0.000 1.066 229 N CA -0.701 52.335 53.050 -0.023 0.000 0.841 229 N CB 1.994 40.465 38.487 -0.027 0.000 1.599 229 N HN 0.550 nan 8.380 nan 0.000 0.476 230 R N 1.455 121.921 120.500 -0.057 0.000 2.439 230 R HA 0.618 4.958 4.340 -0.000 0.000 0.310 230 R C -1.012 175.263 176.300 -0.042 0.000 0.955 230 R CA -0.886 55.163 56.100 -0.084 0.000 0.853 230 R CB 1.833 32.080 30.300 -0.089 0.000 1.171 230 R HN 0.145 nan 8.270 nan 0.000 0.449 231 V N 3.912 123.799 119.914 -0.045 0.000 2.444 231 V HA 0.369 4.489 4.120 -0.000 0.000 0.294 231 V C 0.164 176.281 176.094 0.037 0.000 1.022 231 V CA -1.041 61.257 62.300 -0.003 0.000 0.850 231 V CB 1.677 33.494 31.823 -0.011 0.000 0.992 231 V HN 0.685 nan 8.190 nan 0.000 0.426 232 R N 3.977 124.513 120.500 0.059 0.000 2.442 232 R HA 0.502 4.842 4.340 -0.000 0.000 0.291 232 R C -0.956 175.445 176.300 0.169 0.000 1.069 232 R CA 0.048 56.197 56.100 0.083 0.000 1.022 232 R CB 0.524 30.854 30.300 0.050 0.000 0.976 232 R HN 0.598 nan 8.270 nan 0.000 0.443 233 F N 2.765 122.699 119.950 -0.026 0.000 2.596 233 F HA 0.402 4.929 4.527 -0.000 0.000 0.311 233 F C -1.055 174.729 175.800 -0.026 0.000 1.116 233 F CA -1.039 56.942 58.000 -0.030 0.000 0.957 233 F CB 1.365 40.342 39.000 -0.040 0.000 1.250 233 F HN 0.323 nan 8.300 nan 0.000 0.444 234 I N 6.299 126.416 120.570 -0.755 0.000 2.301 234 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 234 I C 0.506 176.203 176.117 -0.701 0.000 1.046 234 I CA 0.353 61.325 61.300 -0.547 0.000 1.282 234 I CB 0.277 38.037 38.000 -0.400 0.000 1.409 234 I HN 0.880 nan 8.210 nan 0.000 0.484 235 G N 5.300 113.963 108.800 -0.228 0.000 2.288 235 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.227 235 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.227 235 G C -1.434 173.547 174.900 0.136 0.000 1.339 235 G CA -0.857 44.227 45.100 -0.026 0.000 1.057 235 G HN 0.393 nan 8.290 nan 0.000 0.470 236 D N 0.987 121.505 120.400 0.196 0.000 2.414 236 D HA 0.534 5.174 4.640 -0.000 0.000 0.242 236 D C 0.457 176.842 176.300 0.141 0.000 1.129 236 D CA 0.507 54.584 54.000 0.128 0.000 0.885 236 D CB 1.338 42.185 40.800 0.078 0.000 1.198 236 D HN 0.362 nan 8.370 nan 0.000 0.437 237 S N 0.330 116.080 115.700 0.083 0.000 2.585 237 S HA 0.525 4.995 4.470 -0.000 0.000 0.277 237 S C -0.494 174.119 174.600 0.021 0.000 1.241 237 S CA -0.714 57.523 58.200 0.060 0.000 1.041 237 S CB 1.489 64.721 63.200 0.053 0.000 0.987 237 S HN 0.271 nan 8.310 nan 0.000 0.512 238 V N 2.226 122.135 119.914 -0.008 0.000 2.711 238 V HA 0.773 4.893 4.120 -0.000 0.000 0.304 238 V C -1.009 175.072 176.094 -0.021 0.000 1.097 238 V CA -0.524 61.770 62.300 -0.010 0.000 0.906 238 V CB 1.404 33.200 31.823 -0.046 0.000 1.015 238 V HN 0.992 nan 8.190 nan 0.000 0.427 239 A N 5.566 128.398 122.820 0.021 0.000 2.318 239 A HA 1.026 5.346 4.320 -0.000 0.000 0.324 239 A C -0.091 177.507 177.584 0.024 0.000 1.170 239 A CA 0.086 52.124 52.037 0.001 0.000 0.810 239 A CB 1.472 20.566 19.000 0.157 0.000 1.198 239 A HN 2.103 nan 8.150 nan 0.000 0.484 240 A N 2.226 125.000 122.820 -0.076 0.000 2.498 240 A HA 0.807 5.127 4.320 -0.000 0.000 0.298 240 A C -0.538 176.981 177.584 -0.108 0.000 1.075 240 A CA -0.499 51.479 52.037 -0.098 0.000 0.714 240 A CB 0.975 19.953 19.000 -0.037 0.000 1.299 240 A HN 1.655 nan 8.150 nan 0.000 0.407 241 I N -0.874 119.579 120.570 -0.195 0.000 2.569 241 I HA 0.913 5.083 4.170 -0.000 0.000 0.296 241 I C -0.001 176.007 176.117 -0.183 0.000 1.028 241 I CA -0.886 60.325 61.300 -0.149 0.000 1.082 241 I CB 2.406 40.185 38.000 -0.368 0.000 1.264 241 I HN 0.695 nan 8.210 nan 0.000 0.429 242 G N 6.488 115.254 108.800 -0.056 0.000 2.590 242 G HA2 0.726 4.686 3.960 -0.000 0.000 0.310 242 G HA3 0.726 4.686 3.960 -0.000 0.000 0.310 242 G C -1.147 173.759 174.900 0.010 0.000 1.347 242 G CA -0.667 44.381 45.100 -0.087 0.000 0.963 242 G HN 0.636 nan 8.290 nan 0.000 0.494 243 I N 2.782 123.369 120.570 0.028 0.000 2.418 243 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 243 I C -2.499 173.479 176.117 -0.232 0.000 1.008 243 I CA -2.350 58.944 61.300 -0.010 0.000 1.104 243 I CB 3.161 41.251 38.000 0.151 0.000 1.264 243 I HN 0.176 nan 8.210 nan 0.000 0.438 244 P HA 0.083 nan 4.420 nan 0.000 0.276 244 P C -0.363 176.553 177.300 -0.641 0.000 1.264 244 P CA -0.155 62.571 63.100 -0.624 0.000 0.769 244 P CB 0.717 31.677 31.700 -1.233 0.000 0.840 245 V N 1.816 121.466 119.914 -0.439 0.000 2.966 245 V HA 0.496 4.616 4.120 -0.000 0.000 0.317 245 V C 0.145 176.170 176.094 -0.115 0.000 1.070 245 V CA -0.787 61.284 62.300 -0.382 0.000 1.008 245 V CB 1.517 33.051 31.823 -0.482 0.000 1.070 245 V HN 0.301 nan 8.190 nan 0.000 0.457 246 N N 1.335 120.029 118.700 -0.010 0.000 2.408 246 N HA 0.267 5.007 4.740 -0.000 0.000 0.260 246 N C 0.630 176.197 175.510 0.096 0.000 1.242 246 N CA -0.497 52.614 53.050 0.103 0.000 0.959 246 N CB 1.160 39.716 38.487 0.116 0.000 1.201 246 N HN 0.660 nan 8.380 nan 0.000 0.511 247 K N 0.437 120.905 120.400 0.114 0.000 2.283 247 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 247 K C 1.229 177.877 176.600 0.080 0.000 1.048 247 K CA 0.969 57.316 56.287 0.101 0.000 0.948 247 K CB 0.130 32.690 32.500 0.100 0.000 0.742 247 K HN 0.493 nan 8.250 nan 0.000 0.458 248 A N 0.066 122.930 122.820 0.073 0.000 2.192 248 A HA 0.067 4.387 4.320 -0.000 0.000 0.208 248 A C 1.677 179.290 177.584 0.049 0.000 1.220 248 A CA 0.112 52.184 52.037 0.058 0.000 0.900 248 A CB 0.386 19.419 19.000 0.055 0.000 0.937 248 A HN 0.110 nan 8.150 nan 0.000 0.487 249 S N 0.407 116.148 115.700 0.069 0.000 2.660 249 S HA 0.129 4.599 4.470 -0.000 0.000 0.227 249 S C 1.492 176.167 174.600 0.126 0.000 0.948 249 S CA 0.337 58.593 58.200 0.094 0.000 0.948 249 S CB -0.817 62.468 63.200 0.141 0.000 0.779 249 S HN 0.591 nan 8.310 nan 0.000 0.487 250 L N -1.357 119.899 121.223 0.056 0.000 2.375 250 L HA 0.437 4.777 4.340 -0.000 0.000 0.215 250 L C 2.183 179.024 176.870 -0.049 0.000 1.108 250 L CA 0.986 55.849 54.840 0.038 0.000 0.830 250 L CB -0.803 41.270 42.059 0.024 0.000 0.959 250 L HN 0.262 nan 8.230 nan 0.000 0.457 251 A N 1.514 124.231 122.820 -0.173 0.000 2.015 251 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 251 A C 2.372 179.601 177.584 -0.591 0.000 1.163 251 A CA 1.540 53.250 52.037 -0.546 0.000 0.646 251 A CB -0.484 18.171 19.000 -0.575 0.000 0.806 251 A HN 0.788 nan 8.150 nan 0.000 0.448 252 Q N -2.124 117.490 119.800 -0.311 0.000 2.096 252 Q HA -0.140 4.200 4.340 -0.000 0.000 0.197 252 Q C 1.769 177.527 176.000 -0.402 0.000 0.964 252 Q CA 1.544 57.148 55.803 -0.331 0.000 0.838 252 Q CB -0.665 27.912 28.738 -0.269 0.000 0.906 252 Q HN 0.597 nan 8.270 nan 0.000 0.444 253 Y N 1.396 121.471 120.300 -0.376 0.000 2.333 253 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 253 Y C 2.452 178.221 175.900 -0.219 0.000 1.144 253 Y CA 1.286 59.120 58.100 -0.443 0.000 1.228 253 Y CB 0.121 38.388 38.460 -0.321 0.000 0.985 253 Y HN 0.209 nan 8.280 nan 0.000 0.542 254 E N 0.085 120.266 120.200 -0.031 0.000 2.072 254 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 254 E C 2.467 179.102 176.600 0.059 0.000 0.985 254 E CA 1.515 57.935 56.400 0.033 0.000 0.801 254 E CB -0.369 29.319 29.700 -0.021 0.000 0.750 254 E HN 0.419 nan 8.360 nan 0.000 0.452 255 V N -0.166 119.719 119.914 -0.048 0.000 2.548 255 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 255 V C 2.411 178.532 176.094 0.045 0.000 1.055 255 V CA 1.442 63.770 62.300 0.047 0.000 1.065 255 V CB -0.596 31.225 31.823 -0.003 0.000 0.681 255 V HN 0.166 nan 8.190 nan 0.000 0.462 256 L N 1.837 122.988 121.223 -0.120 0.000 2.017 256 L HA 0.091 4.431 4.340 -0.000 0.000 0.208 256 L C 2.652 179.603 176.870 0.135 0.000 1.073 256 L CA 2.572 57.318 54.840 -0.157 0.000 0.745 256 L CB -1.228 40.399 42.059 -0.720 0.000 0.894 256 L HN 0.328 nan 8.230 nan 0.000 0.432 257 A N -0.324 122.641 122.820 0.242 0.000 1.902 257 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 257 A C 2.053 179.771 177.584 0.225 0.000 1.181 257 A CA 2.120 54.369 52.037 0.353 0.000 0.623 257 A CB -0.990 18.212 19.000 0.338 0.000 0.818 257 A HN 0.639 nan 8.150 nan 0.000 0.443 258 N N -2.126 116.704 118.700 0.217 0.000 2.459 258 N HA -0.060 4.680 4.740 -0.000 0.000 0.181 258 N C 1.390 177.097 175.510 0.328 0.000 1.046 258 N CA 1.137 54.335 53.050 0.247 0.000 0.904 258 N CB -0.280 38.330 38.487 0.206 0.000 0.964 258 N HN 0.686 nan 8.380 nan 0.000 0.444 259 Y N 1.058 121.446 120.300 0.147 0.000 2.206 259 Y HA 0.099 4.649 4.550 -0.000 0.000 0.292 259 Y C 1.541 177.488 175.900 0.078 0.000 1.123 259 Y CA 1.134 59.293 58.100 0.098 0.000 1.142 259 Y CB -0.284 38.200 38.460 0.040 0.000 1.006 259 Y HN -0.051 nan 8.280 nan 0.000 0.518 260 L N -0.338 120.881 121.223 -0.007 0.000 2.275 260 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 260 L C 0.715 177.552 176.870 -0.054 0.000 1.119 260 L CA 1.392 56.177 54.840 -0.091 0.000 0.790 260 L CB -0.559 41.553 42.059 0.089 0.000 0.919 260 L HN 0.173 nan 8.230 nan 0.000 0.443 261 T N -0.006 114.564 114.554 0.027 0.000 3.256 261 T HA 0.264 4.614 4.350 -0.000 0.000 0.249 261 T C 0.062 174.808 174.700 0.077 0.000 0.975 261 T CA -0.151 61.980 62.100 0.051 0.000 1.011 261 T CB -0.039 68.882 68.868 0.088 0.000 1.127 261 T HN 0.331 nan 8.240 nan 0.000 0.543 262 S N -0.458 115.228 115.700 -0.024 0.000 2.625 262 S HA 0.725 5.195 4.470 -0.000 0.000 0.271 262 S C 0.954 175.458 174.600 -0.161 0.000 1.161 262 S CA -0.543 57.605 58.200 -0.087 0.000 0.820 262 S CB 1.262 64.365 63.200 -0.161 0.000 1.137 262 S HN 0.094 nan 8.310 nan 0.000 0.470 263 A N 0.286 122.998 122.820 -0.180 0.000 2.216 263 A HA 0.230 4.550 4.320 -0.000 0.000 0.214 263 A C 1.635 179.135 177.584 -0.140 0.000 1.160 263 A CA 0.616 52.569 52.037 -0.140 0.000 0.725 263 A CB -0.994 17.934 19.000 -0.120 0.000 0.784 263 A HN 0.754 nan 8.150 nan 0.000 0.472 264 L N -0.885 120.236 121.223 -0.171 0.000 2.044 264 L HA -0.016 4.324 4.340 -0.000 0.000 0.205 264 L C 1.643 178.432 176.870 -0.135 0.000 1.075 264 L CA 0.738 55.521 54.840 -0.095 0.000 0.747 264 L CB -0.440 41.622 42.059 0.006 0.000 0.903 264 L HN 0.381 nan 8.230 nan 0.000 0.435 265 S N -0.241 115.227 115.700 -0.387 0.000 2.548 265 S HA 0.030 4.500 4.470 -0.000 0.000 0.277 265 S C 1.037 175.509 174.600 -0.213 0.000 1.315 265 S CA -0.444 57.464 58.200 -0.487 0.000 1.050 265 S CB 0.964 63.629 63.200 -0.891 0.000 0.918 265 S HN 0.207 nan 8.310 nan 0.000 0.497 266 E N 2.441 122.574 120.200 -0.113 0.000 2.152 266 E HA -0.108 4.241 4.350 -0.000 0.000 0.192 266 E C 1.081 177.645 176.600 -0.060 0.000 0.983 266 E CA 0.894 57.257 56.400 -0.060 0.000 0.818 266 E CB -0.207 29.481 29.700 -0.020 0.000 0.758 266 E HN 0.725 nan 8.360 nan 0.000 0.467 267 L N -0.394 120.787 121.223 -0.070 0.000 2.715 267 L HA 0.188 4.528 4.340 -0.000 0.000 0.238 267 L C 1.626 178.460 176.870 -0.061 0.000 1.212 267 L CA 0.197 55.009 54.840 -0.047 0.000 1.017 267 L CB -0.287 41.761 42.059 -0.018 0.000 1.269 267 L HN -0.124 nan 8.230 nan 0.000 0.452 268 S N -0.911 114.736 115.700 -0.089 0.000 2.414 268 S HA 0.038 4.508 4.470 -0.000 0.000 0.227 268 S C 1.768 176.346 174.600 -0.037 0.000 1.022 268 S CA 0.555 58.708 58.200 -0.077 0.000 0.958 268 S CB -0.805 62.334 63.200 -0.103 0.000 0.797 268 S HN 0.478 nan 8.310 nan 0.000 0.493 269 G N 0.348 109.129 108.800 -0.032 0.000 3.026 269 G HA2 0.325 4.285 3.960 -0.000 0.000 0.208 269 G HA3 0.325 4.285 3.960 -0.000 0.000 0.208 269 G C 0.828 175.725 174.900 -0.006 0.000 1.169 269 G CA 0.000 45.091 45.100 -0.016 0.000 0.788 269 G HN 0.441 nan 8.290 nan 0.000 0.533 270 L N 0.405 121.625 121.223 -0.005 0.000 2.616 270 L HA 0.449 4.789 4.340 -0.000 0.000 0.229 270 L C 0.892 177.770 176.870 0.014 0.000 1.110 270 L CA 0.104 54.947 54.840 0.005 0.000 0.884 270 L CB 0.120 42.182 42.059 0.004 0.000 1.115 270 L HN 0.341 nan 8.230 nan 0.000 0.481 271 I N -6.271 114.307 120.570 0.013 0.000 2.846 271 I HA 0.483 4.653 4.170 -0.000 0.000 0.307 271 I C 0.651 176.789 176.117 0.034 0.000 1.053 271 I CA -0.468 60.849 61.300 0.027 0.000 1.050 271 I CB 1.902 39.915 38.000 0.023 0.000 1.239 271 I HN -0.293 nan 8.210 nan 0.000 0.439 272 S N 1.270 117.005 115.700 0.058 0.000 2.427 272 S HA 0.120 4.590 4.470 -0.000 0.000 0.224 272 S C 0.678 175.320 174.600 0.069 0.000 1.047 272 S CA 0.489 58.721 58.200 0.055 0.000 0.953 272 S CB 0.069 63.301 63.200 0.052 0.000 0.824 272 S HN 0.772 nan 8.310 nan 0.000 0.502 273 S N -0.863 114.911 115.700 0.124 0.000 2.567 273 S HA 0.706 5.176 4.470 -0.000 0.000 0.270 273 S C -2.135 172.523 174.600 0.096 0.000 1.152 273 S CA -0.228 58.052 58.200 0.133 0.000 0.835 273 S CB 1.619 64.922 63.200 0.173 0.000 1.115 273 S HN 0.469 nan 8.310 nan 0.000 0.459 274 A N 2.902 125.733 122.820 0.018 0.000 2.465 274 A HA 0.822 5.142 4.320 -0.000 0.000 0.292 274 A C -1.094 176.417 177.584 -0.122 0.000 1.041 274 A CA -0.764 51.183 52.037 -0.150 0.000 0.718 274 A CB 1.168 20.133 19.000 -0.058 0.000 1.266 274 A HN 1.006 nan 8.150 nan 0.000 0.403 275 K N 0.690 120.918 120.400 -0.288 0.000 2.578 275 K HA 0.802 5.122 4.320 -0.000 0.000 0.287 275 K C -1.929 174.575 176.600 -0.159 0.000 1.010 275 K CA -0.918 55.297 56.287 -0.121 0.000 0.889 275 K CB 1.594 34.081 32.500 -0.021 0.000 1.514 275 K HN 0.754 nan 8.250 nan 0.000 0.424 276 L N 1.502 122.732 121.223 0.012 0.000 2.343 276 L HA 0.419 4.759 4.340 -0.000 0.000 0.278 276 L C -1.533 175.325 176.870 -0.020 0.000 0.996 276 L CA -0.150 54.723 54.840 0.056 0.000 0.831 276 L CB 1.494 43.645 42.059 0.154 0.000 1.232 276 L HN 0.595 nan 8.230 nan 0.000 0.413 277 D N 5.490 125.855 120.400 -0.060 0.000 2.365 277 D HA 0.171 4.811 4.640 -0.000 0.000 0.237 277 D C -0.377 175.642 176.300 -0.468 0.000 1.190 277 D CA -0.001 53.861 54.000 -0.231 0.000 0.867 277 D CB 0.815 41.551 40.800 -0.107 0.000 1.050 277 D HN 0.474 nan 8.370 nan 0.000 0.491 278 K N 2.544 122.708 120.400 -0.392 0.000 2.276 278 K HA 0.345 4.665 4.320 -0.000 0.000 0.285 278 K C -0.077 176.279 176.600 -0.407 0.000 1.062 278 K CA -0.192 55.933 56.287 -0.270 0.000 0.918 278 K CB 1.045 33.499 32.500 -0.077 0.000 1.055 278 K HN 0.218 nan 8.250 nan 0.000 0.477 279 F N -0.698 119.324 119.950 0.120 0.000 2.840 279 F HA 0.204 4.731 4.527 -0.000 0.000 0.382 279 F C 2.018 177.901 175.800 0.140 0.000 1.304 279 F CA -0.749 57.332 58.000 0.135 0.000 1.120 279 F CB 0.658 39.708 39.000 0.083 0.000 1.607 279 F HN 0.524 nan 8.300 nan 0.000 0.482 280 T N -3.783 111.002 114.554 0.385 0.000 3.014 280 T HA 0.061 4.411 4.350 -0.000 0.000 0.250 280 T C 0.137 174.945 174.700 0.181 0.000 1.060 280 T CA 0.559 62.811 62.100 0.252 0.000 1.040 280 T CB -0.202 68.812 68.868 0.242 0.000 0.971 280 T HN 0.543 nan 8.240 nan 0.000 0.497 281 D N 0.152 120.658 120.400 0.176 0.000 2.819 281 D HA 0.483 5.123 4.640 -0.000 0.000 0.326 281 D C 0.817 177.203 176.300 0.143 0.000 1.408 281 D CA -0.126 53.945 54.000 0.120 0.000 0.811 281 D CB 0.325 41.161 40.800 0.060 0.000 1.148 281 D HN 0.550 nan 8.370 nan 0.000 0.457 282 G N -1.192 107.728 108.800 0.200 0.000 2.240 282 G HA2 0.480 4.440 3.960 -0.000 0.000 0.199 282 G HA3 0.480 4.440 3.960 -0.000 0.000 0.199 282 G C -0.330 174.743 174.900 0.288 0.000 1.342 282 G CA 0.045 45.275 45.100 0.217 0.000 1.145 282 G HN 0.970 nan 8.290 nan 0.000 0.477 283 G N -1.674 107.317 108.800 0.318 0.000 2.342 283 G HA2 0.687 4.647 3.960 -0.000 0.000 0.297 283 G HA3 0.687 4.647 3.960 -0.000 0.000 0.297 283 G C -2.368 172.719 174.900 0.312 0.000 1.313 283 G CA 0.322 45.635 45.100 0.354 0.000 0.830 283 G HN 1.911 nan 8.290 nan 0.000 0.506 284 L N -0.258 121.093 121.223 0.212 0.000 2.505 284 L HA 0.798 5.138 4.340 -0.000 0.000 0.266 284 L C -1.762 175.111 176.870 0.005 0.000 0.954 284 L CA -0.779 54.111 54.840 0.084 0.000 0.852 284 L CB 1.823 43.927 42.059 0.075 0.000 1.282 284 L HN 0.678 nan 8.230 nan 0.000 0.403 285 F N 3.998 123.829 119.950 -0.198 0.000 2.408 285 F HA 0.767 5.293 4.527 -0.000 0.000 0.344 285 F C 0.011 175.712 175.800 -0.165 0.000 1.112 285 F CA 0.088 57.998 58.000 -0.151 0.000 1.096 285 F CB 1.423 40.345 39.000 -0.131 0.000 1.129 285 F HN 0.654 nan 8.300 nan 0.000 0.486 286 T N 5.008 118.965 114.554 -0.995 0.000 2.876 286 T HA 0.684 5.034 4.350 -0.000 0.000 0.289 286 T C -1.509 172.471 174.700 -1.200 0.000 1.014 286 T CA -0.832 60.708 62.100 -0.934 0.000 0.986 286 T CB 1.765 70.234 68.868 -0.665 0.000 1.021 286 T HN 0.688 nan 8.240 nan 0.000 0.458 287 L N 2.638 123.248 121.223 -1.022 0.000 2.406 287 L HA 0.746 5.086 4.340 -0.000 0.000 0.272 287 L C -1.971 174.467 176.870 -0.720 0.000 0.980 287 L CA -0.881 53.555 54.840 -0.673 0.000 0.831 287 L CB 1.209 43.102 42.059 -0.276 0.000 1.253 287 L HN 0.801 nan 8.230 nan 0.000 0.406 288 F N 4.790 124.679 119.950 -0.102 0.000 2.467 288 F HA 0.633 5.160 4.527 -0.000 0.000 0.336 288 F C -0.199 175.572 175.800 -0.048 0.000 1.123 288 F CA -1.008 56.947 58.000 -0.076 0.000 0.964 288 F CB 2.034 40.984 39.000 -0.083 0.000 1.136 288 F HN 0.063 nan 8.300 nan 0.000 0.447 289 V N 4.474 124.474 119.914 0.143 0.000 2.326 289 V HA 0.495 4.614 4.120 -0.000 0.000 0.281 289 V C -0.322 175.816 176.094 0.073 0.000 1.015 289 V CA -0.711 61.640 62.300 0.084 0.000 0.823 289 V CB 1.326 33.187 31.823 0.063 0.000 1.009 289 V HN 0.748 nan 8.190 nan 0.000 0.436 290 R N 3.240 123.771 120.500 0.052 0.000 2.621 290 R HA 0.724 5.064 4.340 -0.000 0.000 0.292 290 R C -1.663 174.650 176.300 0.022 0.000 0.969 290 R CA -0.355 55.760 56.100 0.025 0.000 0.887 290 R CB 2.155 32.452 30.300 -0.004 0.000 1.180 290 R HN 0.858 nan 8.270 nan 0.000 0.450 291 D N 0.925 121.339 120.400 0.024 0.000 2.653 291 D HA 0.063 4.703 4.640 -0.000 0.000 0.258 291 D C 0.262 176.579 176.300 0.030 0.000 1.252 291 D CA -0.459 53.556 54.000 0.024 0.000 0.777 291 D CB 1.678 42.493 40.800 0.025 0.000 1.339 291 D HN 0.528 nan 8.370 nan 0.000 0.422 292 Q N 0.031 119.847 119.800 0.026 0.000 1.975 292 Q HA -0.049 4.291 4.340 -0.000 0.000 0.205 292 Q C 0.214 176.232 176.000 0.030 0.000 0.990 292 Q CA 1.393 57.212 55.803 0.028 0.000 0.845 292 Q CB -0.192 28.557 28.738 0.019 0.000 0.913 292 Q HN 0.590 nan 8.270 nan 0.000 0.420 293 D N -0.452 119.964 120.400 0.026 0.000 2.225 293 D HA 0.030 4.670 4.640 -0.000 0.000 0.249 293 D C 0.580 176.899 176.300 0.032 0.000 1.052 293 D CA 0.319 54.335 54.000 0.027 0.000 0.909 293 D CB 1.567 42.381 40.800 0.022 0.000 1.186 293 D HN 0.088 nan 8.370 nan 0.000 0.431 294 S N 1.731 117.452 115.700 0.035 0.000 2.399 294 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 294 S C 2.057 176.682 174.600 0.041 0.000 1.022 294 S CA 0.818 59.042 58.200 0.040 0.000 0.983 294 S CB -0.553 62.672 63.200 0.042 0.000 0.803 294 S HN 0.659 nan 8.310 nan 0.000 0.480 295 A N 1.678 124.520 122.820 0.036 0.000 1.883 295 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 295 A C 2.400 180.004 177.584 0.033 0.000 1.186 295 A CA 1.821 53.878 52.037 0.034 0.000 0.624 295 A CB -1.126 17.891 19.000 0.028 0.000 0.822 295 A HN 0.477 nan 8.150 nan 0.000 0.444 296 V N -0.361 119.571 119.914 0.030 0.000 2.667 296 V HA -0.167 3.953 4.120 -0.000 0.000 0.252 296 V C 2.466 178.581 176.094 0.034 0.000 1.065 296 V CA 1.662 63.979 62.300 0.029 0.000 1.083 296 V CB -0.498 31.340 31.823 0.024 0.000 0.692 296 V HN 0.374 nan 8.190 nan 0.000 0.468 297 V N -0.355 119.583 119.914 0.040 0.000 2.379 297 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 297 V C 2.512 178.642 176.094 0.060 0.000 1.044 297 V CA 2.074 64.404 62.300 0.050 0.000 1.036 297 V CB -0.534 31.320 31.823 0.052 0.000 0.664 297 V HN 0.541 nan 8.190 nan 0.000 0.453 298 S N 0.329 116.064 115.700 0.059 0.000 2.348 298 S HA -0.189 4.281 4.470 -0.000 0.000 0.221 298 S C 2.267 176.895 174.600 0.048 0.000 1.033 298 S CA 1.848 60.085 58.200 0.062 0.000 1.010 298 S CB -0.340 62.896 63.200 0.059 0.000 0.891 298 S HN 0.591 nan 8.310 nan 0.000 0.442 299 S N 2.196 117.920 115.700 0.039 0.000 2.356 299 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 299 S C 1.762 176.380 174.600 0.029 0.000 1.032 299 S CA 1.214 59.433 58.200 0.031 0.000 1.005 299 S CB -0.586 62.630 63.200 0.026 0.000 0.867 299 S HN 0.429 nan 8.310 nan 0.000 0.449 300 N N 1.315 120.033 118.700 0.031 0.000 2.223 300 N HA 0.019 4.759 4.740 -0.000 0.000 0.185 300 N C 1.553 177.080 175.510 0.029 0.000 1.016 300 N CA 0.769 53.836 53.050 0.028 0.000 0.863 300 N CB -0.263 38.241 38.487 0.028 0.000 0.983 300 N HN 0.412 nan 8.380 nan 0.000 0.429 301 I N 0.118 120.712 120.570 0.039 0.000 2.480 301 I HA -0.099 4.071 4.170 -0.000 0.000 0.251 301 I C 1.980 178.108 176.117 0.019 0.000 1.124 301 I CA 0.749 62.071 61.300 0.036 0.000 1.444 301 I CB 0.081 38.127 38.000 0.077 0.000 1.098 301 I HN 0.014 nan 8.210 nan 0.000 0.428 302 K N 1.029 121.442 120.400 0.022 0.000 2.147 302 K HA -0.267 4.053 4.320 -0.000 0.000 0.205 302 K C 2.116 178.727 176.600 0.019 0.000 1.049 302 K CA 1.518 57.814 56.287 0.015 0.000 0.936 302 K CB 0.066 32.577 32.500 0.020 0.000 0.722 302 K HN 0.080 nan 8.250 nan 0.000 0.446 303 K N 0.753 121.165 120.400 0.020 0.000 2.062 303 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 303 K C 1.799 178.412 176.600 0.023 0.000 1.051 303 K CA 0.980 57.279 56.287 0.020 0.000 0.941 303 K CB -0.031 32.480 32.500 0.019 0.000 0.719 303 K HN 0.021 nan 8.250 nan 0.000 0.440 304 I N 0.920 121.502 120.570 0.020 0.000 2.179 304 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 304 I C 2.172 178.303 176.117 0.023 0.000 1.088 304 I CA 1.064 62.378 61.300 0.023 0.000 1.357 304 I CB -1.053 36.955 38.000 0.013 0.000 1.051 304 I HN -0.009 nan 8.210 nan 0.000 0.409 305 V N 1.436 121.356 119.914 0.009 0.000 2.392 305 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 305 V C 2.795 178.922 176.094 0.056 0.000 1.059 305 V CA 1.741 64.061 62.300 0.032 0.000 1.051 305 V CB -1.187 30.673 31.823 0.062 0.000 0.658 305 V HN 0.460 nan 8.190 nan 0.000 0.455 306 A N -0.038 122.805 122.820 0.038 0.000 1.872 306 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 306 A C 1.954 179.553 177.584 0.026 0.000 1.187 306 A CA 1.835 53.890 52.037 0.030 0.000 0.614 306 A CB -0.577 18.436 19.000 0.023 0.000 0.826 306 A HN 0.505 nan 8.150 nan 0.000 0.442 307 D N -0.194 120.225 120.400 0.032 0.000 2.219 307 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 307 D C 1.756 178.083 176.300 0.044 0.000 0.970 307 D CA 0.716 54.739 54.000 0.038 0.000 0.851 307 D CB -0.097 40.732 40.800 0.049 0.000 0.943 307 D HN 0.413 nan 8.370 nan 0.000 0.488 308 L N -0.074 121.177 121.223 0.048 0.000 2.341 308 L HA 0.038 4.378 4.340 -0.000 0.000 0.214 308 L C 2.166 179.009 176.870 -0.044 0.000 1.115 308 L CA 0.557 55.422 54.840 0.041 0.000 0.820 308 L CB -0.036 42.079 42.059 0.094 0.000 0.944 308 L HN -0.069 nan 8.230 nan 0.000 0.452 309 K N 0.645 121.037 120.400 -0.014 0.000 2.148 309 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 309 K C 1.420 177.981 176.600 -0.065 0.000 1.050 309 K CA 0.974 57.240 56.287 -0.036 0.000 0.942 309 K CB 0.188 32.692 32.500 0.007 0.000 0.724 309 K HN -0.011 nan 8.250 nan 0.000 0.446 310 K N 0.983 121.358 120.400 -0.041 0.000 3.101 310 K HA 0.099 4.419 4.320 -0.000 0.000 0.229 310 K C -0.260 176.313 176.600 -0.045 0.000 1.232 310 K CA -0.372 55.891 56.287 -0.040 0.000 1.210 310 K CB 0.220 32.710 32.500 -0.017 0.000 1.284 310 K HN 0.110 nan 8.250 nan 0.000 0.448 311 G N 2.276 111.020 108.800 -0.092 0.000 2.670 311 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.233 311 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.233 311 G C -0.460 174.405 174.900 -0.058 0.000 1.251 311 G CA 0.065 45.109 45.100 -0.094 0.000 0.849 311 G HN 0.466 nan 8.290 nan 0.000 0.588 312 K N 0.052 120.437 120.400 -0.026 0.000 2.615 312 K HA 0.452 4.772 4.320 -0.000 0.000 0.291 312 K C -0.950 175.578 176.600 -0.119 0.000 1.017 312 K CA -0.697 55.561 56.287 -0.049 0.000 0.882 312 K CB 1.786 34.273 32.500 -0.022 0.000 1.522 312 K HN 0.496 nan 8.250 nan 0.000 0.412 313 D N -0.181 120.121 120.400 -0.163 0.000 2.348 313 D HA 0.132 4.772 4.640 -0.000 0.000 0.115 313 D C 0.533 176.714 176.300 -0.198 0.000 1.491 313 D CA 0.753 54.569 54.000 -0.306 0.000 1.321 313 D CB 0.465 41.105 40.800 -0.266 0.000 2.433 313 D HN 0.548 nan 8.370 nan 0.000 0.244 314 L N 1.283 122.436 121.223 -0.117 0.000 4.696 314 L HA -0.283 4.057 4.340 -0.000 0.000 0.425 314 L C 0.159 176.995 176.870 -0.056 0.000 1.115 314 L CA 0.716 55.516 54.840 -0.068 0.000 0.996 314 L CB -2.354 39.677 42.059 -0.046 0.000 2.077 314 L HN 0.405 nan 8.230 nan 0.000 0.792 315 S N -3.525 112.127 115.700 -0.080 0.000 3.631 315 S HA -0.149 4.321 4.470 -0.000 0.000 0.366 315 S C -0.971 173.628 174.600 -0.001 0.000 0.993 315 S CA 0.600 58.776 58.200 -0.040 0.000 1.167 315 S CB -1.523 61.670 63.200 -0.011 0.000 0.909 315 S HN 0.489 nan 8.310 nan 0.000 0.478 316 P HA 0.312 nan 4.420 nan 0.000 0.221 316 P C 1.176 178.521 177.300 0.076 0.000 1.155 316 P CA 1.169 64.290 63.100 0.036 0.000 0.812 316 P CB -0.058 31.669 31.700 0.045 0.000 0.801 317 A N -0.979 121.907 122.820 0.110 0.000 2.476 317 A HA 0.142 4.462 4.320 -0.000 0.000 0.263 317 A C 1.585 179.290 177.584 0.200 0.000 1.342 317 A CA -0.156 52.001 52.037 0.200 0.000 0.926 317 A CB -1.408 17.768 19.000 0.294 0.000 1.019 317 A HN 0.051 nan 8.150 nan 0.000 0.515 318 I N -0.017 120.633 120.570 0.134 0.000 2.394 318 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 318 I C 1.514 177.704 176.117 0.122 0.000 1.136 318 I CA 1.519 62.900 61.300 0.135 0.000 1.425 318 I CB -0.118 37.938 38.000 0.093 0.000 1.079 318 I HN 0.351 nan 8.210 nan 0.000 0.425 319 N N -1.244 117.524 118.700 0.114 0.000 2.409 319 N HA -0.120 4.620 4.740 -0.000 0.000 0.174 319 N C 1.758 177.335 175.510 0.112 0.000 1.037 319 N CA 0.750 53.849 53.050 0.082 0.000 0.898 319 N CB -0.221 38.310 38.487 0.073 0.000 1.010 319 N HN 0.475 nan 8.380 nan 0.000 0.445 320 Y N 1.551 121.874 120.300 0.038 0.000 2.206 320 Y HA -0.116 4.434 4.550 -0.000 0.000 0.292 320 Y C 2.669 178.599 175.900 0.051 0.000 1.123 320 Y CA 1.362 59.488 58.100 0.042 0.000 1.142 320 Y CB -0.242 38.254 38.460 0.060 0.000 1.006 320 Y HN -0.088 nan 8.280 nan 0.000 0.518 321 T N -0.142 114.474 114.554 0.104 0.000 2.962 321 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 321 T C 1.826 176.505 174.700 -0.035 0.000 1.088 321 T CA 1.562 63.705 62.100 0.071 0.000 1.127 321 T CB -0.302 68.735 68.868 0.281 0.000 0.883 321 T HN 0.366 nan 8.240 nan 0.000 0.493 322 K N -0.199 120.136 120.400 -0.109 0.000 2.314 322 K HA 0.146 4.466 4.320 -0.000 0.000 0.198 322 K C 2.053 178.529 176.600 -0.207 0.000 1.045 322 K CA 0.165 56.284 56.287 -0.279 0.000 0.988 322 K CB -0.065 32.293 32.500 -0.236 0.000 0.783 322 K HN 0.263 nan 8.250 nan 0.000 0.484 323 L N 1.171 122.297 121.223 -0.162 0.000 2.095 323 L HA -0.040 4.300 4.340 -0.000 0.000 0.204 323 L C 1.836 178.589 176.870 -0.195 0.000 1.080 323 L CA 1.743 56.493 54.840 -0.150 0.000 0.759 323 L CB -0.423 41.573 42.059 -0.106 0.000 0.914 323 L HN 0.030 nan 8.230 nan 0.000 0.439 324 K N 0.393 120.615 120.400 -0.297 0.000 2.217 324 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 324 K C 1.730 178.239 176.600 -0.152 0.000 1.051 324 K CA 1.058 57.183 56.287 -0.271 0.000 0.952 324 K CB -0.205 32.052 32.500 -0.405 0.000 0.736 324 K HN 0.341 nan 8.250 nan 0.000 0.453 325 N N -0.895 117.721 118.700 -0.139 0.000 2.461 325 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 325 N C 0.460 175.904 175.510 -0.110 0.000 1.134 325 N CA 0.382 53.374 53.050 -0.096 0.000 0.878 325 N CB 0.329 38.759 38.487 -0.095 0.000 0.972 325 N HN 0.200 nan 8.380 nan 0.000 0.456 326 A N -0.163 122.586 122.820 -0.118 0.000 2.167 326 A HA 0.051 4.371 4.320 -0.000 0.000 0.208 326 A C 1.924 179.463 177.584 -0.074 0.000 1.198 326 A CA -0.013 51.965 52.037 -0.098 0.000 0.863 326 A CB -0.127 18.810 19.000 -0.105 0.000 0.904 326 A HN 0.189 nan 8.150 nan 0.000 0.484 327 V N -1.751 118.118 119.914 -0.075 0.000 3.141 327 V HA -0.067 4.053 4.120 -0.000 0.000 0.265 327 V C 0.663 176.728 176.094 -0.049 0.000 1.126 327 V CA 0.968 63.232 62.300 -0.059 0.000 1.141 327 V CB -1.217 30.570 31.823 -0.061 0.000 0.743 327 V HN 0.546 nan 8.190 nan 0.000 0.492 328 Q N 1.849 121.619 119.800 -0.049 0.000 2.844 328 Q HA 0.284 4.624 4.340 -0.000 0.000 0.235 328 Q C 0.607 176.584 176.000 -0.038 0.000 1.336 328 Q CA -0.188 55.591 55.803 -0.040 0.000 1.026 328 Q CB -0.086 28.631 28.738 -0.034 0.000 1.513 328 Q HN 0.590 nan 8.270 nan 0.000 0.577 329 N N 1.547 120.225 118.700 -0.038 0.000 2.453 329 N HA -0.159 4.581 4.740 -0.000 0.000 0.183 329 N C 1.188 176.677 175.510 -0.035 0.000 1.041 329 N CA 1.036 54.064 53.050 -0.036 0.000 0.900 329 N CB 0.401 38.866 38.487 -0.037 0.000 0.961 329 N HN 0.600 nan 8.380 nan 0.000 0.443 330 E N 0.082 120.260 120.200 -0.036 0.000 2.435 330 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 330 E C 0.975 177.552 176.600 -0.037 0.000 1.029 330 E CA 0.519 56.896 56.400 -0.038 0.000 0.865 330 E CB -0.013 29.663 29.700 -0.041 0.000 0.833 330 E HN -0.105 nan 8.360 nan 0.000 0.510 331 S N 0.576 116.257 115.700 -0.032 0.000 2.526 331 S HA 0.185 4.655 4.470 -0.000 0.000 0.247 331 S C -0.064 174.527 174.600 -0.015 0.000 1.076 331 S CA -0.587 57.597 58.200 -0.026 0.000 1.105 331 S CB -0.196 62.991 63.200 -0.022 0.000 0.793 331 S HN 0.158 nan 8.310 nan 0.000 0.458 332 V N 3.466 123.370 119.914 -0.016 0.000 1.973 332 V HA 0.250 4.370 4.120 -0.000 0.000 0.255 332 V C 0.670 176.765 176.094 0.002 0.000 1.605 332 V CA 0.430 62.724 62.300 -0.010 0.000 1.542 332 V CB -0.734 31.080 31.823 -0.014 0.000 1.504 332 V HN 0.741 nan 8.190 nan 0.000 0.505 333 S N -0.851 114.856 115.700 0.011 0.000 2.843 333 S HA 0.028 4.498 4.470 -0.000 0.000 0.194 333 S C 0.325 174.950 174.600 0.041 0.000 0.785 333 S CA 0.025 58.242 58.200 0.028 0.000 1.333 333 S CB -0.565 62.654 63.200 0.031 0.000 1.290 333 S HN 0.664 nan 8.310 nan 0.000 0.563 334 S N 2.003 117.723 115.700 0.034 0.000 2.576 334 S HA 0.540 5.010 4.470 -0.000 0.000 0.272 334 S C -1.153 173.487 174.600 0.066 0.000 1.352 334 S CA -0.373 57.856 58.200 0.048 0.000 1.021 334 S CB -0.403 62.820 63.200 0.038 0.000 0.887 334 S HN 0.239 nan 8.310 nan 0.000 0.542 335 P HA 0.189 nan 4.420 nan 0.000 0.239 335 P C -0.209 177.150 177.300 0.099 0.000 1.302 335 P CA -0.161 62.996 63.100 0.095 0.000 0.676 335 P CB -0.157 31.606 31.700 0.105 0.000 1.093 336 I N -0.122 120.521 120.570 0.121 0.000 2.696 336 I HA 0.037 4.207 4.170 -0.000 0.000 0.284 336 I C 1.574 177.809 176.117 0.198 0.000 1.129 336 I CA 0.786 62.170 61.300 0.139 0.000 1.410 336 I CB 0.089 38.171 38.000 0.137 0.000 1.399 336 I HN 0.255 nan 8.210 nan 0.000 0.579 337 E N 2.993 123.285 120.200 0.153 0.000 2.357 337 E HA 0.156 4.506 4.350 -0.000 0.000 0.202 337 E C 1.300 177.966 176.600 0.110 0.000 0.855 337 E CA 0.300 56.750 56.400 0.083 0.000 1.048 337 E CB 0.367 30.063 29.700 -0.007 0.000 1.037 337 E HN 0.455 nan 8.360 nan 0.000 0.499 338 L N 2.660 123.955 121.223 0.121 0.000 2.627 338 L HA 0.109 4.449 4.340 -0.000 0.000 0.232 338 L C 1.566 178.550 176.870 0.190 0.000 1.150 338 L CA 0.503 55.418 54.840 0.124 0.000 0.917 338 L CB -0.872 41.227 42.059 0.067 0.000 1.104 338 L HN 0.177 nan 8.230 nan 0.000 0.445 339 N N -0.502 118.360 118.700 0.270 0.000 2.457 339 N HA -0.134 4.606 4.740 -0.000 0.000 0.180 339 N C 1.643 177.245 175.510 0.153 0.000 1.050 339 N CA 0.533 53.683 53.050 0.168 0.000 0.906 339 N CB 0.250 38.797 38.487 0.100 0.000 0.968 339 N HN 0.165 nan 8.380 nan 0.000 0.445 340 F N 1.411 121.367 119.950 0.011 0.000 2.113 340 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 340 F C 0.984 176.785 175.800 0.001 0.000 1.103 340 F CA 0.842 58.845 58.000 0.004 0.000 1.248 340 F CB -0.603 38.400 39.000 0.005 0.000 0.999 340 F HN -0.061 nan 8.300 nan 0.000 0.475 341 D N -0.070 120.460 120.400 0.216 0.000 2.948 341 D HA 0.331 4.971 4.640 -0.000 0.000 0.241 341 D C 0.773 177.117 176.300 0.072 0.000 1.198 341 D CA 0.414 54.482 54.000 0.113 0.000 0.926 341 D CB -0.080 40.770 40.800 0.084 0.000 1.151 341 D HN 0.266 nan 8.370 nan 0.000 0.441 342 A N -0.420 122.434 122.820 0.056 0.000 1.758 342 A HA 0.294 4.613 4.320 -0.000 0.000 0.172 342 A C 0.356 177.944 177.584 0.007 0.000 1.924 342 A CA -0.239 51.815 52.037 0.029 0.000 1.449 342 A CB -0.021 18.996 19.000 0.028 0.000 1.075 342 A HN 0.184 nan 8.150 nan 0.000 0.777 343 V N 0.078 119.985 119.914 -0.012 0.000 2.715 343 V HA 0.523 4.643 4.120 -0.000 0.000 0.299 343 V C 0.117 176.187 176.094 -0.040 0.000 1.054 343 V CA 0.657 62.940 62.300 -0.028 0.000 1.077 343 V CB 0.716 32.514 31.823 -0.042 0.000 0.972 343 V HN 0.793 nan 8.190 nan 0.000 0.484 344 K N -0.155 120.221 120.400 -0.040 0.000 2.589 344 K HA 0.510 4.830 4.320 -0.000 0.000 0.198 344 K C -0.664 175.899 176.600 -0.063 0.000 1.114 344 K CA -0.437 55.819 56.287 -0.052 0.000 1.070 344 K CB 0.534 33.013 32.500 -0.034 0.000 0.860 344 K HN 0.673 nan 8.250 nan 0.000 0.536 345 D N 0.687 121.058 120.400 -0.048 0.000 2.738 345 D HA 0.461 5.101 4.640 -0.000 0.000 0.237 345 D C -2.053 174.257 176.300 0.017 0.000 1.123 345 D CA -0.406 53.573 54.000 -0.036 0.000 0.856 345 D CB 1.824 42.599 40.800 -0.041 0.000 1.552 345 D HN 0.163 nan 8.370 nan 0.000 0.480 346 F N 2.316 122.153 119.950 -0.189 0.000 2.569 346 F HA 0.436 4.963 4.527 -0.000 0.000 0.312 346 F C -0.335 175.366 175.800 -0.166 0.000 1.109 346 F CA -0.744 57.121 58.000 -0.226 0.000 0.919 346 F CB 1.218 40.029 39.000 -0.316 0.000 1.211 346 F HN 0.188 nan 8.300 nan 0.000 0.446 347 K N 3.775 123.539 120.400 -1.061 0.000 2.367 347 K HA 0.666 4.986 4.320 -0.000 0.000 0.260 347 K C -1.787 174.087 176.600 -1.209 0.000 0.980 347 K CA -0.452 55.348 56.287 -0.811 0.000 1.412 347 K CB 0.405 32.648 32.500 -0.429 0.000 2.934 347 K HN 0.695 nan 8.250 nan 0.000 0.985 348 L N 0.668 121.526 121.223 -0.609 0.000 3.007 348 L HA 0.333 4.673 4.340 -0.000 0.000 0.237 348 L C -0.254 176.576 176.870 -0.067 0.000 0.965 348 L CA 0.199 54.855 54.840 -0.307 0.000 1.116 348 L CB 0.961 42.943 42.059 -0.128 0.000 1.491 348 L HN 0.865 nan 8.230 nan 0.000 0.565 349 G N 2.069 110.856 108.800 -0.021 0.000 2.803 349 G HA2 0.210 4.170 3.960 -0.000 0.000 0.177 349 G HA3 0.210 4.170 3.960 -0.000 0.000 0.177 349 G C -0.358 174.544 174.900 0.003 0.000 1.629 349 G CA -0.556 44.541 45.100 -0.005 0.000 1.077 349 G HN 0.465 nan 8.290 nan 0.000 0.556 350 K N 0.006 120.380 120.400 -0.043 0.000 2.185 350 K HA 0.455 4.775 4.320 -0.000 0.000 0.271 350 K C -0.755 175.820 176.600 -0.040 0.000 1.013 350 K CA -0.041 56.144 56.287 -0.169 0.000 0.943 350 K CB 0.982 33.410 32.500 -0.120 0.000 0.998 350 K HN 0.398 nan 8.250 nan 0.000 0.468 351 F N -1.165 118.809 119.950 0.040 0.000 2.894 351 F HA 0.509 5.036 4.527 -0.000 0.000 0.332 351 F C -0.750 175.078 175.800 0.047 0.000 1.192 351 F CA -1.363 56.663 58.000 0.043 0.000 0.980 351 F CB 0.815 39.861 39.000 0.077 0.000 1.448 351 F HN 0.223 nan 8.300 nan 0.000 0.514 352 N N -0.341 118.636 118.700 0.462 0.000 2.269 352 N HA 0.315 5.054 4.740 -0.000 0.000 0.304 352 N C -2.207 173.548 175.510 0.409 0.000 1.072 352 N CA -0.326 52.908 53.050 0.307 0.000 0.802 352 N CB 2.641 41.191 38.487 0.106 0.000 1.348 352 N HN 0.768 nan 8.380 nan 0.000 0.484 353 Y N 1.010 121.428 120.300 0.197 0.000 2.499 353 Y HA 0.555 5.105 4.550 -0.000 0.000 0.347 353 Y C -0.946 174.988 175.900 0.057 0.000 0.987 353 Y CA -0.841 57.342 58.100 0.138 0.000 1.044 353 Y CB 1.275 39.862 38.460 0.212 0.000 1.245 353 Y HN 0.271 nan 8.280 nan 0.000 0.461 354 V N 2.040 121.539 119.914 -0.692 0.000 2.668 354 V HA 0.954 5.074 4.120 -0.000 0.000 0.304 354 V C -1.042 174.581 176.094 -0.786 0.000 1.071 354 V CA -0.742 61.210 62.300 -0.580 0.000 0.894 354 V CB 0.999 32.680 31.823 -0.237 0.000 1.008 354 V HN 1.164 nan 8.190 nan 0.000 0.425 355 A N 4.325 126.785 122.820 -0.599 0.000 2.271 355 A HA 0.885 5.205 4.320 -0.000 0.000 0.317 355 A C -0.573 176.895 177.584 -0.194 0.000 1.245 355 A CA -0.635 51.176 52.037 -0.377 0.000 0.857 355 A CB 1.306 20.148 19.000 -0.262 0.000 1.175 355 A HN 1.396 nan 8.150 nan 0.000 0.512 356 V N 2.774 122.604 119.914 -0.139 0.000 2.531 356 V HA 0.824 4.944 4.120 -0.000 0.000 0.301 356 V C 0.765 176.850 176.094 -0.015 0.000 1.034 356 V CA 0.702 62.946 62.300 -0.094 0.000 0.865 356 V CB 0.728 32.444 31.823 -0.178 0.000 0.995 356 V HN 1.935 nan 8.190 nan 0.000 0.424 357 G N 4.577 113.428 108.800 0.085 0.000 2.390 357 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.202 357 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.202 357 G C -0.454 174.503 174.900 0.096 0.000 1.210 357 G CA -0.041 45.156 45.100 0.162 0.000 1.271 357 G HN 0.646 nan 8.290 nan 0.000 0.543 358 D N 1.701 122.142 120.400 0.068 0.000 2.600 358 D HA 0.404 5.044 4.640 -0.000 0.000 0.226 358 D C 1.928 178.249 176.300 0.034 0.000 1.119 358 D CA 0.522 54.549 54.000 0.046 0.000 1.051 358 D CB 0.420 41.245 40.800 0.041 0.000 1.106 358 D HN 0.271 nan 8.370 nan 0.000 0.491 359 V N 1.861 121.791 119.914 0.026 0.000 2.278 359 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 359 V C 2.407 178.512 176.094 0.018 0.000 1.062 359 V CA 1.948 64.248 62.300 0.000 0.000 1.038 359 V CB -0.472 31.350 31.823 -0.002 0.000 0.646 359 V HN 0.477 nan 8.190 nan 0.000 0.447 360 S N -0.537 115.191 115.700 0.048 0.000 2.537 360 S HA -0.070 4.400 4.470 -0.000 0.000 0.240 360 S C 1.209 175.859 174.600 0.084 0.000 0.981 360 S CA 0.839 59.086 58.200 0.079 0.000 0.948 360 S CB -0.443 62.796 63.200 0.066 0.000 0.759 360 S HN 0.699 nan 8.310 nan 0.000 0.531 361 N N 0.759 119.497 118.700 0.064 0.000 2.433 361 N HA 0.219 4.959 4.740 -0.000 0.000 0.270 361 N C -1.461 174.087 175.510 0.064 0.000 1.354 361 N CA -0.131 52.958 53.050 0.066 0.000 0.889 361 N CB 0.884 39.401 38.487 0.051 0.000 1.285 361 N HN 0.204 nan 8.380 nan 0.000 0.503 362 L N 1.119 122.377 121.223 0.058 0.000 2.354 362 L HA 0.595 4.935 4.340 -0.000 0.000 0.269 362 L C -2.209 174.700 176.870 0.066 0.000 1.005 362 L CA -1.994 52.880 54.840 0.056 0.000 0.819 362 L CB 1.800 43.874 42.059 0.024 0.000 1.311 362 L HN -0.102 nan 8.230 nan 0.000 0.423 363 P HA 0.161 nan 4.420 nan 0.000 0.270 363 P C -1.351 175.986 177.300 0.063 0.000 1.223 363 P CA 0.180 63.346 63.100 0.110 0.000 0.785 363 P CB 0.351 32.075 31.700 0.041 0.000 0.923 364 Y N -0.360 119.942 120.300 0.003 0.000 2.631 364 Y HA 0.244 4.794 4.550 -0.000 0.000 0.328 364 Y C 1.406 177.192 175.900 -0.190 0.000 1.118 364 Y CA -0.711 57.401 58.100 0.020 0.000 1.206 364 Y CB 0.587 39.072 38.460 0.042 0.000 1.337 364 Y HN 0.132 nan 8.280 nan 0.000 0.515 365 L N 0.943 122.214 121.223 0.080 0.000 2.191 365 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 365 L C 1.181 178.038 176.870 -0.022 0.000 1.103 365 L CA 1.816 56.633 54.840 -0.038 0.000 0.769 365 L CB -0.726 41.382 42.059 0.081 0.000 0.908 365 L HN 0.667 nan 8.230 nan 0.000 0.438 366 D N 0.205 120.629 120.400 0.040 0.000 2.081 366 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 366 D C 1.718 178.016 176.300 -0.003 0.000 0.986 366 D CA 1.811 55.815 54.000 0.007 0.000 0.837 366 D CB -0.441 40.359 40.800 0.001 0.000 0.985 366 D HN 0.638 nan 8.370 nan 0.000 0.448 367 E N 0.577 120.787 120.200 0.016 0.000 2.482 367 E HA -0.022 4.328 4.350 -0.000 0.000 0.200 367 E C 0.529 177.128 176.600 -0.002 0.000 1.147 367 E CA 0.120 56.527 56.400 0.011 0.000 0.912 367 E CB -0.254 29.467 29.700 0.035 0.000 0.938 367 E HN 0.286 nan 8.360 nan 0.000 0.519 368 L N 0.000 121.214 121.223 -0.015 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 368 L CA 0.000 54.844 54.840 0.006 0.000 0.813 368 L CB 0.000 42.063 42.059 0.008 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502