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 2vsn_1_B DATA FIRST_RESID 23 DATA SEQUENCE VAWLMLADAE LGXXXXXXXX AGEMAVQRGL XXXXPEAVAR LGRVRWTQQR DATA SEQUENCE HAEAAVLLQQ ASDAAPEHPG IALWLGHALE DAGQAEAAAA AYTRAHQLLP DATA SEQUENCE EEPYITAQLL NWRRRLCDWR ALDVLSAQVR AAVAQGVGAV EPFAFLSEDA DATA SEQUENCE SAAEQLACAR TRAQAIAASV RPLAPTRVRS KGPLRVGFVS NGFGAHPTGL DATA SEQUENCE LTVALFEALQ RRQPDLQMHL FATSGDDGST LRTRLAQAST LHDVTALGHL DATA SEQUENCE ATAKHIRHHG IDLLFDLAGW GGGGRPEVFA LRPAPVQVNW LAYPGTSGAP DATA SEQUENCE WMDYVLGDAF ALPPALEPFY SEHVLRLQGA FQPSDTSRVV AEPPSRTQCG DATA SEQUENCE LPEQGVVLCC FNNSYKLNPQ SMARMLAVLR EVPDSVLWLL SGPGEADARL DATA SEQUENCE RAFAHAQGVD AQRLVFMPKL PHPQYLARYR HADLFLDTHP YNAHTTASDA DATA SEQUENCE LWTGCPVLTT PGETFAARVA GSLNHHLGLD EMNVADDAAF VAKAVALASD DATA SEQUENCE PAALTALHAR VDVLRRASGV FHMDGFADDF GALLQALARR HGWLGI 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.146 176.094 0.087 0.000 1.182 23 V CA 0.000 62.376 62.300 0.126 0.000 1.235 23 V CB 0.000 31.963 31.823 0.233 0.000 1.184 24 A N -1.621 121.211 122.820 0.020 0.000 2.021 24 A HA 0.045 4.365 4.320 0.001 0.000 0.216 24 A C 1.454 179.002 177.584 -0.060 0.000 1.163 24 A CA 1.438 53.426 52.037 -0.082 0.000 0.676 24 A CB -0.593 18.275 19.000 -0.219 0.000 0.818 24 A HN 0.817 nan 8.150 nan 0.000 0.453 25 W N 0.169 121.482 121.300 0.021 0.000 2.317 25 W HA -0.205 4.456 4.660 0.001 0.000 0.318 25 W C 1.809 178.347 176.519 0.031 0.000 1.227 25 W CA 1.166 58.525 57.345 0.023 0.000 1.269 25 W CB -0.668 28.804 29.460 0.021 0.000 1.155 25 W HN 0.243 nan 8.180 nan 0.000 0.484 26 L N -0.905 120.481 121.223 0.273 0.000 2.129 26 L HA -0.262 4.079 4.340 0.001 0.000 0.212 26 L C 2.327 179.283 176.870 0.144 0.000 1.087 26 L CA 1.573 56.524 54.840 0.184 0.000 0.757 26 L CB -0.952 41.195 42.059 0.147 0.000 0.896 26 L HN 0.021 nan 8.230 nan 0.000 0.434 27 M N -1.580 118.084 119.600 0.107 0.000 2.236 27 M HA -0.067 4.414 4.480 0.001 0.000 0.266 27 M C 1.912 178.251 176.300 0.065 0.000 1.070 27 M CA 1.250 56.591 55.300 0.069 0.000 1.137 27 M CB -0.353 32.264 32.600 0.029 0.000 1.378 27 M HN 0.219 nan 8.290 nan 0.000 0.426 28 L N 0.155 121.417 121.223 0.066 0.000 1.988 28 L HA 0.004 4.345 4.340 0.001 0.000 0.207 28 L C 2.301 179.233 176.870 0.104 0.000 1.071 28 L CA 2.296 57.172 54.840 0.060 0.000 0.744 28 L CB -1.442 40.643 42.059 0.044 0.000 0.893 28 L HN 0.252 nan 8.230 nan 0.000 0.433 29 A N -0.250 122.662 122.820 0.153 0.000 1.896 29 A HA -0.353 3.968 4.320 0.001 0.000 0.220 29 A C 2.031 179.680 177.584 0.108 0.000 1.206 29 A CA 2.376 54.494 52.037 0.136 0.000 0.647 29 A CB -1.360 17.726 19.000 0.143 0.000 0.828 29 A HN 0.648 nan 8.150 nan 0.000 0.455 30 D N -0.163 120.308 120.400 0.118 0.000 2.170 30 D HA -0.219 4.422 4.640 0.001 0.000 0.193 30 D C 2.190 178.547 176.300 0.094 0.000 1.004 30 D CA 1.725 55.798 54.000 0.121 0.000 0.860 30 D CB -0.586 40.292 40.800 0.131 0.000 0.931 30 D HN 0.517 nan 8.370 nan 0.000 0.448 31 A N 1.855 124.721 122.820 0.076 0.000 1.859 31 A HA -0.254 4.067 4.320 0.001 0.000 0.217 31 A C 2.038 179.656 177.584 0.056 0.000 1.198 31 A CA 2.215 54.287 52.037 0.059 0.000 0.629 31 A CB -0.534 18.494 19.000 0.045 0.000 0.830 31 A HN 0.269 nan 8.150 nan 0.000 0.446 32 E N 0.132 120.367 120.200 0.058 0.000 2.130 32 E HA -0.219 4.132 4.350 0.001 0.000 0.196 32 E C 1.852 178.481 176.600 0.047 0.000 0.998 32 E CA 1.404 57.834 56.400 0.049 0.000 0.806 32 E CB -0.718 29.012 29.700 0.050 0.000 0.738 32 E HN 0.530 nan 8.360 nan 0.000 0.459 33 L N 0.315 121.572 121.223 0.056 0.000 2.044 33 L HA 0.059 4.400 4.340 0.001 0.000 0.205 33 L C 1.598 178.505 176.870 0.063 0.000 1.075 33 L CA 1.743 56.617 54.840 0.055 0.000 0.747 33 L CB -0.700 41.395 42.059 0.060 0.000 0.903 33 L HN 0.176 nan 8.230 nan 0.000 0.435 44 G N -0.016 108.814 108.800 0.050 0.000 2.414 44 G HA2 -0.122 3.839 3.960 0.001 0.000 0.215 44 G HA3 -0.122 3.839 3.960 0.001 0.000 0.215 44 G C 1.221 176.140 174.900 0.031 0.000 1.188 44 G CA 1.315 46.448 45.100 0.054 0.000 0.783 44 G HN 0.385 nan 8.290 nan 0.000 0.537 45 E N -0.158 120.047 120.200 0.009 0.000 2.130 45 E HA -0.116 4.235 4.350 0.001 0.000 0.196 45 E C 2.519 179.103 176.600 -0.027 0.000 0.998 45 E CA 0.840 57.233 56.400 -0.011 0.000 0.806 45 E CB -0.170 29.519 29.700 -0.017 0.000 0.738 45 E HN 0.356 nan 8.360 nan 0.000 0.459 46 M N -0.732 118.856 119.600 -0.020 0.000 2.160 46 M HA -0.073 4.408 4.480 0.001 0.000 0.264 46 M C 2.352 178.590 176.300 -0.103 0.000 1.073 46 M CA 1.045 56.313 55.300 -0.053 0.000 1.142 46 M CB -0.418 32.169 32.600 -0.022 0.000 1.358 46 M HN 0.032 nan 8.290 nan 0.000 0.422 47 A N -0.229 122.588 122.820 -0.005 0.000 1.898 47 A HA -0.083 4.238 4.320 0.001 0.000 0.216 47 A C 2.141 179.707 177.584 -0.030 0.000 1.181 47 A CA 1.401 53.471 52.037 0.054 0.000 0.620 47 A CB -0.915 18.285 19.000 0.334 0.000 0.819 47 A HN 0.318 nan 8.150 nan 0.000 0.442 48 V N 0.066 119.985 119.914 0.008 0.000 2.490 48 V HA -0.246 3.875 4.120 0.001 0.000 0.250 48 V C 2.680 178.731 176.094 -0.073 0.000 1.061 48 V CA 1.934 64.236 62.300 0.004 0.000 1.064 48 V CB -0.722 31.113 31.823 0.020 0.000 0.670 48 V HN 0.534 nan 8.190 nan 0.000 0.461 49 Q N -0.284 119.444 119.800 -0.119 0.000 2.033 49 Q HA -0.061 4.280 4.340 0.001 0.000 0.196 49 Q C 2.478 178.326 176.000 -0.254 0.000 0.970 49 Q CA 0.868 56.585 55.803 -0.144 0.000 0.828 49 Q CB -0.435 28.229 28.738 -0.123 0.000 0.895 49 Q HN 0.428 nan 8.270 nan 0.000 0.440 50 R N 0.215 120.461 120.500 -0.423 0.000 2.226 50 R HA -0.098 4.243 4.340 0.001 0.000 0.246 50 R C 1.104 176.905 176.300 -0.831 0.000 1.161 50 R CA 1.071 56.716 56.100 -0.759 0.000 0.997 50 R CB -0.866 28.595 30.300 -1.398 0.000 0.870 50 R HN 0.195 nan 8.270 nan 0.000 0.465 51 G N 0.212 108.687 108.800 -0.542 0.000 4.477 51 G HA2 0.502 4.463 3.960 0.001 0.000 0.319 51 G HA3 0.502 4.463 3.960 0.001 0.000 0.319 51 G C -0.374 174.473 174.900 -0.089 0.000 1.391 51 G CA -0.337 44.617 45.100 -0.245 0.000 1.261 51 G HN 0.016 nan 8.290 nan 0.000 0.556 58 E N -0.441 119.775 120.200 0.026 0.000 2.641 58 E HA 0.521 4.871 4.350 0.001 0.000 0.224 58 E C 1.254 177.885 176.600 0.050 0.000 0.951 58 E CA 0.795 57.208 56.400 0.022 0.000 1.102 58 E CB 0.190 29.912 29.700 0.037 0.000 1.091 58 E HN 0.435 nan 8.360 nan 0.000 0.507 59 A N 0.265 123.114 122.820 0.047 0.000 1.935 59 A HA 0.030 4.351 4.320 0.001 0.000 0.214 59 A C 2.108 179.718 177.584 0.043 0.000 1.178 59 A CA 0.945 53.014 52.037 0.052 0.000 0.640 59 A CB -0.427 18.594 19.000 0.035 0.000 0.825 59 A HN 0.166 nan 8.150 nan 0.000 0.447 60 V N 0.312 120.243 119.914 0.028 0.000 2.282 60 V HA -0.320 3.801 4.120 0.001 0.000 0.249 60 V C 3.071 179.185 176.094 0.033 0.000 1.057 60 V CA 2.106 64.418 62.300 0.020 0.000 1.032 60 V CB -1.323 30.506 31.823 0.010 0.000 0.645 60 V HN 0.602 nan 8.190 nan 0.000 0.447 61 A N 0.050 122.902 122.820 0.053 0.000 1.883 61 A HA -0.263 4.058 4.320 0.001 0.000 0.217 61 A C 2.359 180.030 177.584 0.144 0.000 1.186 61 A CA 2.148 54.251 52.037 0.110 0.000 0.624 61 A CB -0.512 18.561 19.000 0.121 0.000 0.822 61 A HN 0.550 nan 8.150 nan 0.000 0.444 62 R N -1.181 119.412 120.500 0.154 0.000 2.075 62 R HA -0.063 4.278 4.340 0.001 0.000 0.232 62 R C 2.124 178.423 176.300 -0.002 0.000 1.126 62 R CA 1.321 57.483 56.100 0.103 0.000 0.963 62 R CB -0.562 29.825 30.300 0.145 0.000 0.858 62 R HN 0.486 nan 8.270 nan 0.000 0.435 63 L N 0.607 121.838 121.223 0.013 0.000 2.046 63 L HA -0.035 4.305 4.340 0.001 0.000 0.208 63 L C 2.153 179.011 176.870 -0.021 0.000 1.077 63 L CA 2.150 56.986 54.840 -0.007 0.000 0.747 63 L CB -0.957 41.100 42.059 -0.003 0.000 0.896 63 L HN 0.205 nan 8.230 nan 0.000 0.432 64 G N -0.965 107.826 108.800 -0.015 0.000 2.440 64 G HA2 -0.363 3.598 3.960 0.001 0.000 0.218 64 G HA3 -0.363 3.598 3.960 0.001 0.000 0.218 64 G C 1.753 176.620 174.900 -0.055 0.000 1.154 64 G CA 0.887 45.976 45.100 -0.017 0.000 0.767 64 G HN 0.360 nan 8.290 nan 0.000 0.552 65 R N 0.177 120.568 120.500 -0.181 0.000 2.148 65 R HA 0.060 4.401 4.340 0.001 0.000 0.227 65 R C 2.558 178.788 176.300 -0.117 0.000 1.103 65 R CA 1.058 56.945 56.100 -0.356 0.000 0.983 65 R CB -0.682 29.028 30.300 -0.982 0.000 0.874 65 R HN 0.253 nan 8.270 nan 0.000 0.451 66 V N 1.018 120.883 119.914 -0.082 0.000 2.261 66 V HA -0.238 3.883 4.120 0.001 0.000 0.246 66 V C 2.357 178.438 176.094 -0.021 0.000 1.047 66 V CA 1.873 64.151 62.300 -0.038 0.000 1.015 66 V CB -0.500 31.305 31.823 -0.030 0.000 0.642 66 V HN 0.250 nan 8.190 nan 0.000 0.446 67 R N -0.981 119.510 120.500 -0.014 0.000 2.091 67 R HA -0.234 4.107 4.340 0.001 0.000 0.238 67 R C 1.963 178.239 176.300 -0.040 0.000 1.136 67 R CA 1.922 58.004 56.100 -0.029 0.000 0.959 67 R CB -1.208 29.086 30.300 -0.009 0.000 0.856 67 R HN 0.728 nan 8.270 nan 0.000 0.437 68 W N 1.912 123.122 121.300 -0.150 0.000 2.350 68 W HA -0.176 4.485 4.660 0.001 0.000 0.289 68 W C 1.686 178.116 176.519 -0.148 0.000 1.215 68 W CA 1.923 59.191 57.345 -0.128 0.000 1.236 68 W CB -0.219 29.195 29.460 -0.076 0.000 1.130 68 W HN 0.007 nan 8.180 nan 0.000 0.541 69 T N 0.319 114.819 114.554 -0.089 0.000 2.904 69 T HA -0.184 4.167 4.350 0.001 0.000 0.267 69 T C 1.259 175.791 174.700 -0.281 0.000 1.059 69 T CA 1.419 63.383 62.100 -0.227 0.000 1.137 69 T CB -0.250 68.585 68.868 -0.055 0.000 0.879 69 T HN 0.267 nan 8.240 nan 0.000 0.467 70 Q N 1.050 120.715 119.800 -0.225 0.000 2.253 70 Q HA 0.125 4.466 4.340 0.001 0.000 0.210 70 Q C 0.284 176.104 176.000 -0.300 0.000 0.907 70 Q CA -0.157 55.522 55.803 -0.208 0.000 0.948 70 Q CB 0.131 28.789 28.738 -0.134 0.000 1.033 70 Q HN 0.257 nan 8.270 nan 0.000 0.471 71 Q N -0.982 118.517 119.800 -0.502 0.000 2.243 71 Q HA -0.255 4.086 4.340 0.001 0.000 0.208 71 Q C -0.193 175.379 176.000 -0.714 0.000 0.722 71 Q CA 1.308 56.668 55.803 -0.738 0.000 1.420 71 Q CB -1.361 27.167 28.738 -0.350 0.000 1.787 71 Q HN 0.533 nan 8.270 nan 0.000 0.653 72 R N 1.107 121.347 120.500 -0.434 0.000 4.779 72 R HA 0.070 4.410 4.340 0.001 0.000 0.217 72 R C 1.173 177.380 176.300 -0.154 0.000 1.934 72 R CA -0.239 55.726 56.100 -0.224 0.000 1.623 72 R CB -0.063 30.163 30.300 -0.124 0.000 1.364 72 R HN 0.314 nan 8.270 nan 0.000 0.799 73 H N 1.087 120.161 119.070 0.007 0.000 2.325 73 H HA -0.244 4.313 4.556 0.001 0.000 0.293 73 H C 2.107 177.478 175.328 0.071 0.000 1.106 73 H CA 1.910 58.004 56.048 0.076 0.000 1.247 73 H CB -0.161 29.644 29.762 0.072 0.000 1.359 73 H HN 0.482 nan 8.280 nan 0.000 0.488 74 A N 1.257 124.169 122.820 0.153 0.000 1.859 74 A HA -0.261 4.060 4.320 0.001 0.000 0.217 74 A C 2.422 180.048 177.584 0.069 0.000 1.198 74 A CA 2.224 54.319 52.037 0.096 0.000 0.629 74 A CB -0.605 18.432 19.000 0.062 0.000 0.830 74 A HN 0.522 nan 8.150 nan 0.000 0.446 75 E N -0.413 119.814 120.200 0.046 0.000 2.031 75 E HA -0.059 4.292 4.350 0.001 0.000 0.193 75 E C 2.342 178.967 176.600 0.041 0.000 0.994 75 E CA 1.090 57.508 56.400 0.029 0.000 0.800 75 E CB -0.388 29.317 29.700 0.007 0.000 0.752 75 E HN 0.602 nan 8.360 nan 0.000 0.447 76 A N 1.381 124.238 122.820 0.062 0.000 1.958 76 A HA -0.252 4.069 4.320 0.001 0.000 0.221 76 A C 2.367 179.993 177.584 0.070 0.000 1.178 76 A CA 2.031 54.117 52.037 0.081 0.000 0.642 76 A CB -0.821 18.283 19.000 0.172 0.000 0.816 76 A HN 0.317 nan 8.150 nan 0.000 0.453 77 A N -1.033 121.838 122.820 0.085 0.000 1.929 77 A HA 0.088 4.409 4.320 0.001 0.000 0.216 77 A C 2.221 179.821 177.584 0.027 0.000 1.176 77 A CA 1.529 53.597 52.037 0.052 0.000 0.628 77 A CB -0.762 18.276 19.000 0.063 0.000 0.816 77 A HN 0.374 nan 8.150 nan 0.000 0.444 78 V N 0.127 120.058 119.914 0.029 0.000 2.343 78 V HA -0.235 3.886 4.120 0.001 0.000 0.247 78 V C 2.564 178.664 176.094 0.011 0.000 1.051 78 V CA 1.898 64.209 62.300 0.017 0.000 1.036 78 V CB -0.597 31.236 31.823 0.017 0.000 0.654 78 V HN 0.569 nan 8.190 nan 0.000 0.451 79 L N -0.943 120.287 121.223 0.013 0.000 1.988 79 L HA -0.175 4.166 4.340 0.001 0.000 0.207 79 L C 2.367 179.241 176.870 0.006 0.000 1.071 79 L CA 1.633 56.478 54.840 0.008 0.000 0.744 79 L CB -0.538 41.526 42.059 0.008 0.000 0.893 79 L HN 0.269 nan 8.230 nan 0.000 0.433 80 L N -0.496 120.730 121.223 0.006 0.000 2.191 80 L HA -0.219 4.122 4.340 0.001 0.000 0.212 80 L C 2.613 179.476 176.870 -0.012 0.000 1.103 80 L CA 0.713 55.554 54.840 0.001 0.000 0.769 80 L CB -0.390 41.667 42.059 -0.003 0.000 0.908 80 L HN 0.326 nan 8.230 nan 0.000 0.438 81 Q N 0.196 119.990 119.800 -0.010 0.000 2.167 81 Q HA -0.237 4.104 4.340 0.001 0.000 0.202 81 Q C 2.083 178.077 176.000 -0.010 0.000 0.970 81 Q CA 1.627 57.421 55.803 -0.014 0.000 0.855 81 Q CB -0.080 28.654 28.738 -0.007 0.000 0.911 81 Q HN 0.476 nan 8.270 nan 0.000 0.438 82 Q N -0.990 118.806 119.800 -0.006 0.000 1.994 82 Q HA -0.064 4.277 4.340 0.001 0.000 0.198 82 Q C 1.896 177.891 176.000 -0.008 0.000 0.976 82 Q CA 1.359 57.160 55.803 -0.004 0.000 0.828 82 Q CB -0.344 28.393 28.738 -0.001 0.000 0.894 82 Q HN 0.483 nan 8.270 nan 0.000 0.432 83 A N 0.096 122.910 122.820 -0.010 0.000 2.024 83 A HA -0.197 4.124 4.320 0.001 0.000 0.220 83 A C 2.101 179.665 177.584 -0.034 0.000 1.164 83 A CA 1.864 53.889 52.037 -0.019 0.000 0.643 83 A CB -0.754 18.235 19.000 -0.019 0.000 0.806 83 A HN 0.452 nan 8.150 nan 0.000 0.451 84 S N -0.472 115.209 115.700 -0.031 0.000 2.414 84 S HA -0.112 4.359 4.470 0.001 0.000 0.227 84 S C 1.400 175.991 174.600 -0.015 0.000 1.022 84 S CA 1.285 59.465 58.200 -0.033 0.000 0.958 84 S CB -0.381 62.797 63.200 -0.037 0.000 0.797 84 S HN 0.570 nan 8.310 nan 0.000 0.493 85 D N 1.580 121.974 120.400 -0.010 0.000 2.234 85 D HA 0.142 4.783 4.640 0.001 0.000 0.205 85 D C 1.871 178.172 176.300 0.001 0.000 0.962 85 D CA 1.060 55.058 54.000 -0.004 0.000 0.855 85 D CB -0.435 40.364 40.800 -0.003 0.000 0.951 85 D HN 0.498 nan 8.370 nan 0.000 0.500 86 A N -0.105 122.715 122.820 -0.000 0.000 2.235 86 A HA 0.454 4.775 4.320 0.001 0.000 0.208 86 A C 0.995 178.587 177.584 0.014 0.000 1.172 86 A CA 0.775 52.815 52.037 0.006 0.000 0.786 86 A CB 0.164 19.166 19.000 0.004 0.000 0.804 86 A HN 0.130 nan 8.150 nan 0.000 0.479 87 A N -0.090 122.739 122.820 0.014 0.000 3.068 87 A HA 0.519 4.840 4.320 0.001 0.000 0.269 87 A C -2.388 175.218 177.584 0.035 0.000 1.259 87 A CA -0.376 51.684 52.037 0.038 0.000 0.938 87 A CB 0.351 19.391 19.000 0.065 0.000 1.433 87 A HN 0.070 nan 8.150 nan 0.000 0.664 88 P HA 0.080 nan 4.420 nan 0.000 0.252 88 P C -0.029 177.284 177.300 0.022 0.000 1.265 88 P CA 0.852 63.961 63.100 0.016 0.000 0.775 88 P CB 0.026 31.731 31.700 0.009 0.000 1.128 89 E N -0.516 119.708 120.200 0.040 0.000 4.170 89 E HA 0.113 4.464 4.350 0.001 0.000 0.199 89 E C -0.687 175.944 176.600 0.051 0.000 1.080 89 E CA -0.245 56.173 56.400 0.030 0.000 1.446 89 E CB 0.129 29.833 29.700 0.008 0.000 1.170 89 E HN 0.124 nan 8.360 nan 0.000 0.429 90 H N 1.183 120.226 119.070 -0.045 0.000 2.991 90 H HA 0.215 4.772 4.556 0.001 0.000 0.304 90 H C -2.169 173.110 175.328 -0.082 0.000 1.040 90 H CA -2.442 53.568 56.048 -0.063 0.000 1.410 90 H CB 1.403 31.128 29.762 -0.063 0.000 1.529 90 H HN 0.023 nan 8.280 nan 0.000 0.509 91 P HA -0.058 nan 4.420 nan 0.000 0.220 91 P C 1.408 178.730 177.300 0.036 0.000 1.148 91 P CA 1.294 64.436 63.100 0.069 0.000 0.803 91 P CB 0.108 31.814 31.700 0.009 0.000 0.782 92 G N 0.285 109.171 108.800 0.144 0.000 2.422 92 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 92 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 92 G C 1.481 176.117 174.900 -0.440 0.000 1.146 92 G CA 0.494 45.471 45.100 -0.204 0.000 0.769 92 G HN 0.185 nan 8.290 nan 0.000 0.547 93 I N 1.551 121.897 120.570 -0.373 0.000 2.286 93 I HA 0.074 4.245 4.170 0.001 0.000 0.245 93 I C 3.103 179.140 176.117 -0.134 0.000 1.104 93 I CA 0.948 62.072 61.300 -0.294 0.000 1.397 93 I CB -0.397 37.368 38.000 -0.391 0.000 1.072 93 I HN 0.197 nan 8.210 nan 0.000 0.417 94 A N -0.131 122.627 122.820 -0.104 0.000 1.933 94 A HA -0.194 4.127 4.320 0.001 0.000 0.218 94 A C 2.245 179.737 177.584 -0.154 0.000 1.175 94 A CA 1.650 53.629 52.037 -0.097 0.000 0.628 94 A CB -0.916 18.055 19.000 -0.048 0.000 0.814 94 A HN 0.385 nan 8.150 nan 0.000 0.444 95 L N -1.552 119.582 121.223 -0.148 0.000 2.005 95 L HA -0.085 4.256 4.340 0.001 0.000 0.207 95 L C 2.198 178.868 176.870 -0.333 0.000 1.072 95 L CA 1.773 56.496 54.840 -0.195 0.000 0.744 95 L CB -0.761 41.219 42.059 -0.132 0.000 0.895 95 L HN 0.550 nan 8.230 nan 0.000 0.433 96 W N -0.289 120.746 121.300 -0.443 0.000 2.342 96 W HA -0.196 4.465 4.660 0.001 0.000 0.297 96 W C 2.527 178.794 176.519 -0.420 0.000 1.213 96 W CA 1.234 58.288 57.345 -0.486 0.000 1.251 96 W CB -0.891 28.381 29.460 -0.312 0.000 1.136 96 W HN 0.231 nan 8.180 nan 0.000 0.526 97 L N 0.267 121.433 121.223 -0.095 0.000 2.093 97 L HA -0.014 4.327 4.340 0.001 0.000 0.208 97 L C 2.023 178.754 176.870 -0.233 0.000 1.085 97 L CA 2.391 57.151 54.840 -0.132 0.000 0.755 97 L CB -1.597 40.400 42.059 -0.105 0.000 0.904 97 L HN 0.059 nan 8.230 nan 0.000 0.435 98 G N -0.931 107.628 108.800 -0.401 0.000 2.421 98 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 98 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 98 G C 1.288 175.942 174.900 -0.410 0.000 1.171 98 G CA 0.746 45.410 45.100 -0.725 0.000 0.775 98 G HN 0.473 nan 8.290 nan 0.000 0.543 99 H N 1.117 120.003 119.070 -0.306 0.000 2.319 99 H HA 0.002 4.559 4.556 0.001 0.000 0.299 99 H C 2.908 178.162 175.328 -0.124 0.000 1.092 99 H CA 1.183 57.113 56.048 -0.195 0.000 1.302 99 H CB -0.885 28.578 29.762 -0.499 0.000 1.373 99 H HN 0.365 nan 8.280 nan 0.000 0.497 100 A N 0.827 123.608 122.820 -0.064 0.000 1.883 100 A HA -0.130 4.190 4.320 0.001 0.000 0.217 100 A C 2.708 180.356 177.584 0.107 0.000 1.186 100 A CA 1.506 53.639 52.037 0.159 0.000 0.624 100 A CB -0.991 18.061 19.000 0.087 0.000 0.822 100 A HN 0.330 nan 8.150 nan 0.000 0.444 101 L N -0.714 120.502 121.223 -0.013 0.000 2.079 101 L HA -0.234 4.107 4.340 0.001 0.000 0.210 101 L C 2.703 179.564 176.870 -0.015 0.000 1.081 101 L CA 1.920 56.748 54.840 -0.020 0.000 0.752 101 L CB -0.465 41.548 42.059 -0.078 0.000 0.896 101 L HN 0.688 nan 8.230 nan 0.000 0.433 102 E N 0.503 120.657 120.200 -0.076 0.000 2.017 102 E HA -0.260 4.091 4.350 0.001 0.000 0.193 102 E C 1.248 177.819 176.600 -0.048 0.000 0.997 102 E CA 1.752 58.084 56.400 -0.114 0.000 0.804 102 E CB 0.008 29.500 29.700 -0.347 0.000 0.757 102 E HN 0.372 nan 8.360 nan 0.000 0.448 103 D N -0.337 120.016 120.400 -0.078 0.000 2.392 103 D HA -0.026 4.615 4.640 0.001 0.000 0.228 103 D C 0.449 176.551 176.300 -0.329 0.000 1.003 103 D CA 0.836 54.640 54.000 -0.326 0.000 0.917 103 D CB 0.344 40.767 40.800 -0.628 0.000 0.890 103 D HN 0.271 nan 8.370 nan 0.000 0.532 104 A N -0.927 121.861 122.820 -0.053 0.000 2.538 104 A HA 0.553 4.874 4.320 0.001 0.000 0.269 104 A C 1.723 179.338 177.584 0.051 0.000 1.231 104 A CA 0.356 52.421 52.037 0.047 0.000 0.948 104 A CB 0.035 19.097 19.000 0.103 0.000 1.110 104 A HN 0.130 nan 8.150 nan 0.000 0.529 105 G N -0.652 108.178 108.800 0.050 0.000 2.189 105 G HA2 -0.304 3.657 3.960 0.001 0.000 0.267 105 G HA3 -0.304 3.657 3.960 0.001 0.000 0.267 105 G C 0.330 175.294 174.900 0.105 0.000 0.975 105 G CA 0.590 45.742 45.100 0.086 0.000 0.644 105 G HN 0.579 nan 8.290 nan 0.000 0.537 106 Q N 0.401 120.258 119.800 0.095 0.000 2.835 106 Q HA 0.629 4.969 4.340 0.001 0.000 0.235 106 Q C 1.849 177.941 176.000 0.152 0.000 1.313 106 Q CA 0.198 56.059 55.803 0.096 0.000 1.053 106 Q CB 0.288 29.063 28.738 0.060 0.000 1.443 106 Q HN 0.561 nan 8.270 nan 0.000 0.576 107 A N 1.900 124.862 122.820 0.237 0.000 1.851 107 A HA -0.245 4.075 4.320 0.001 0.000 0.216 107 A C 1.852 179.682 177.584 0.411 0.000 1.195 107 A CA 1.716 54.021 52.037 0.446 0.000 0.622 107 A CB -0.180 19.053 19.000 0.389 0.000 0.831 107 A HN 0.594 nan 8.150 nan 0.000 0.444 108 E N 0.020 120.350 120.200 0.217 0.000 2.058 108 E HA -0.117 4.234 4.350 0.001 0.000 0.194 108 E C 2.119 178.805 176.600 0.143 0.000 0.997 108 E CA 1.758 58.251 56.400 0.156 0.000 0.801 108 E CB -0.536 29.209 29.700 0.075 0.000 0.746 108 E HN 0.486 nan 8.360 nan 0.000 0.450 109 A N 0.645 123.524 122.820 0.099 0.000 1.902 109 A HA -0.066 4.255 4.320 0.001 0.000 0.217 109 A C 2.438 180.036 177.584 0.023 0.000 1.181 109 A CA 2.172 54.239 52.037 0.050 0.000 0.623 109 A CB -1.061 17.955 19.000 0.027 0.000 0.818 109 A HN 0.359 nan 8.150 nan 0.000 0.443 110 A N -0.122 122.715 122.820 0.028 0.000 1.986 110 A HA 0.076 4.397 4.320 0.001 0.000 0.220 110 A C 2.435 179.960 177.584 -0.099 0.000 1.171 110 A CA 2.227 54.188 52.037 -0.125 0.000 0.640 110 A CB -0.951 17.972 19.000 -0.129 0.000 0.811 110 A HN 1.047 nan 8.150 nan 0.000 0.451 111 A N 0.022 122.971 122.820 0.215 0.000 1.835 111 A HA 0.126 4.447 4.320 0.001 0.000 0.215 111 A C 2.573 180.268 177.584 0.185 0.000 1.199 111 A CA 2.367 54.626 52.037 0.370 0.000 0.615 111 A CB -1.355 17.866 19.000 0.368 0.000 0.838 111 A HN 1.254 nan 8.150 nan 0.000 0.444 112 A N -0.234 122.648 122.820 0.103 0.000 1.958 112 A HA -0.005 4.315 4.320 0.001 0.000 0.221 112 A C 2.482 180.073 177.584 0.011 0.000 1.178 112 A CA 2.631 54.703 52.037 0.060 0.000 0.642 112 A CB -1.114 17.907 19.000 0.035 0.000 0.816 112 A HN 1.227 nan 8.150 nan 0.000 0.453 113 A N -1.295 121.472 122.820 -0.089 0.000 1.883 113 A HA -0.114 4.207 4.320 0.001 0.000 0.217 113 A C 2.108 179.596 177.584 -0.160 0.000 1.186 113 A CA 1.617 53.535 52.037 -0.199 0.000 0.624 113 A CB -0.836 17.927 19.000 -0.394 0.000 0.822 113 A HN 0.668 nan 8.150 nan 0.000 0.444 114 Y N 0.468 120.770 120.300 0.003 0.000 2.263 114 Y HA -0.140 4.411 4.550 0.002 0.000 0.292 114 Y C 3.067 179.001 175.900 0.057 0.000 1.130 114 Y CA 1.379 59.483 58.100 0.008 0.000 1.179 114 Y CB -0.576 37.884 38.460 -0.000 0.000 0.998 114 Y HN 0.487 nan 8.280 nan 0.000 0.532 115 T N -1.090 113.601 114.554 0.228 0.000 3.007 115 T HA -0.183 4.168 4.350 0.001 0.000 0.270 115 T C 1.734 176.538 174.700 0.173 0.000 1.107 115 T CA 1.239 63.459 62.100 0.199 0.000 1.118 115 T CB -0.189 68.774 68.868 0.158 0.000 0.889 115 T HN 0.338 nan 8.240 nan 0.000 0.506 116 R N 0.794 121.364 120.500 0.116 0.000 2.105 116 R HA 0.419 4.760 4.340 0.001 0.000 0.214 116 R C 2.580 178.927 176.300 0.079 0.000 1.091 116 R CA 0.833 56.977 56.100 0.073 0.000 1.007 116 R CB -0.677 29.640 30.300 0.029 0.000 0.912 116 R HN 0.353 nan 8.270 nan 0.000 0.450 117 A N -0.081 122.792 122.820 0.089 0.000 2.216 117 A HA -0.154 4.167 4.320 0.001 0.000 0.214 117 A C 1.581 179.252 177.584 0.145 0.000 1.160 117 A CA 1.445 53.534 52.037 0.087 0.000 0.725 117 A CB -0.666 18.382 19.000 0.079 0.000 0.784 117 A HN 0.562 nan 8.150 nan 0.000 0.472 118 H N -0.604 118.498 119.070 0.054 0.000 2.451 118 H HA 0.071 4.628 4.556 0.001 0.000 0.294 118 H C 2.075 177.423 175.328 0.033 0.000 1.028 118 H CA 1.512 57.589 56.048 0.048 0.000 1.349 118 H CB 0.017 29.816 29.762 0.062 0.000 1.444 118 H HN 0.437 nan 8.280 nan 0.000 0.538 119 Q N 0.419 120.203 119.800 -0.027 0.000 2.050 119 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 119 Q C 2.243 178.195 176.000 -0.080 0.000 0.980 119 Q CA 1.392 57.139 55.803 -0.094 0.000 0.840 119 Q CB -0.136 28.590 28.738 -0.020 0.000 0.898 119 Q HN 0.512 nan 8.270 nan 0.000 0.424 120 L N -0.135 121.069 121.223 -0.032 0.000 2.551 120 L HA 0.012 4.353 4.340 0.001 0.000 0.228 120 L C 0.723 177.570 176.870 -0.037 0.000 1.153 120 L CA 0.171 54.993 54.840 -0.031 0.000 0.851 120 L CB 0.057 42.108 42.059 -0.014 0.000 0.959 120 L HN 0.052 nan 8.230 nan 0.000 0.451 121 L N -0.677 120.526 121.223 -0.033 0.000 2.439 121 L HA 0.309 4.650 4.340 0.001 0.000 0.264 121 L C -2.069 174.794 176.870 -0.012 0.000 1.531 121 L CA -0.727 54.103 54.840 -0.017 0.000 0.727 121 L CB 0.791 42.856 42.059 0.010 0.000 0.952 121 L HN -0.228 nan 8.230 nan 0.000 0.521 122 P HA -0.147 nan 4.420 nan 0.000 0.219 122 P C 0.575 177.872 177.300 -0.006 0.000 1.146 122 P CA 1.214 64.215 63.100 -0.166 0.000 0.808 122 P CB 0.369 31.959 31.700 -0.184 0.000 0.779 123 E N -1.304 118.903 120.200 0.012 0.000 2.472 123 E HA 0.036 4.387 4.350 0.001 0.000 0.196 123 E C 0.505 177.139 176.600 0.056 0.000 1.033 123 E CA 0.103 56.524 56.400 0.035 0.000 0.886 123 E CB -0.785 28.923 29.700 0.012 0.000 0.944 123 E HN 0.107 nan 8.360 nan 0.000 0.492 124 E N 2.160 122.404 120.200 0.074 0.000 2.166 124 E HA 0.129 4.480 4.350 0.001 0.000 0.279 124 E C -1.852 174.818 176.600 0.116 0.000 1.095 124 E CA -2.717 53.737 56.400 0.091 0.000 0.888 124 E CB 0.994 30.753 29.700 0.098 0.000 1.041 124 E HN -0.094 nan 8.360 nan 0.000 0.414 125 P HA -0.103 nan 4.420 nan 0.000 0.219 125 P C 0.818 178.164 177.300 0.076 0.000 1.150 125 P CA 0.641 63.786 63.100 0.075 0.000 0.814 125 P CB -0.088 31.642 31.700 0.049 0.000 0.787 126 Y N 0.829 121.132 120.300 0.005 0.000 2.165 126 Y HA -0.203 4.348 4.550 0.001 0.000 0.286 126 Y C 1.973 177.881 175.900 0.013 0.000 1.155 126 Y CA 1.519 59.622 58.100 0.006 0.000 1.164 126 Y CB -0.984 37.487 38.460 0.017 0.000 0.978 126 Y HN -0.171 nan 8.280 nan 0.000 0.513 127 I N -0.947 119.624 120.570 0.001 0.000 2.286 127 I HA -0.271 3.899 4.170 0.001 0.000 0.245 127 I C 2.182 178.226 176.117 -0.120 0.000 1.104 127 I CA 1.605 62.870 61.300 -0.058 0.000 1.397 127 I CB -0.637 37.430 38.000 0.112 0.000 1.072 127 I HN 0.173 nan 8.210 nan 0.000 0.417 128 T N 0.942 115.451 114.554 -0.075 0.000 2.708 128 T HA -0.155 4.196 4.350 0.001 0.000 0.266 128 T C 2.136 176.731 174.700 -0.174 0.000 1.037 128 T CA 1.411 63.402 62.100 -0.181 0.000 1.146 128 T CB -0.388 68.443 68.868 -0.062 0.000 0.865 128 T HN 0.454 nan 8.240 nan 0.000 0.435 129 A N 1.569 124.303 122.820 -0.143 0.000 1.873 129 A HA -0.262 4.059 4.320 0.001 0.000 0.218 129 A C 2.302 179.774 177.584 -0.186 0.000 1.193 129 A CA 2.045 54.001 52.037 -0.135 0.000 0.629 129 A CB -0.912 18.007 19.000 -0.134 0.000 0.826 129 A HN 0.547 nan 8.150 nan 0.000 0.447 130 Q N -1.238 118.375 119.800 -0.313 0.000 2.124 130 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 130 Q C 2.104 177.881 176.000 -0.372 0.000 0.977 130 Q CA 1.494 57.061 55.803 -0.394 0.000 0.850 130 Q CB -0.341 28.049 28.738 -0.580 0.000 0.901 130 Q HN 0.647 nan 8.270 nan 0.000 0.429 131 L N 0.353 121.400 121.223 -0.294 0.000 2.017 131 L HA -0.177 4.164 4.340 0.001 0.000 0.208 131 L C 2.026 178.865 176.870 -0.050 0.000 1.073 131 L CA 1.521 56.272 54.840 -0.149 0.000 0.745 131 L CB -0.746 41.213 42.059 -0.166 0.000 0.894 131 L HN 0.234 nan 8.230 nan 0.000 0.432 132 L N 0.529 121.703 121.223 -0.081 0.000 2.012 132 L HA -0.273 4.067 4.340 0.001 0.000 0.210 132 L C 2.437 179.320 176.870 0.023 0.000 1.073 132 L CA 2.292 57.119 54.840 -0.021 0.000 0.748 132 L CB -1.346 40.697 42.059 -0.028 0.000 0.891 132 L HN 0.667 nan 8.230 nan 0.000 0.431 133 N N -1.076 117.632 118.700 0.014 0.000 2.104 133 N HA -0.299 4.442 4.740 0.001 0.000 0.190 133 N C 2.039 177.619 175.510 0.117 0.000 1.024 133 N CA 1.765 54.844 53.050 0.050 0.000 0.853 133 N CB -0.480 38.034 38.487 0.045 0.000 1.008 133 N HN 0.648 nan 8.380 nan 0.000 0.424 134 W N 1.785 123.037 121.300 -0.081 0.000 2.436 134 W HA -0.009 4.652 4.660 0.001 0.000 0.284 134 W C 2.070 178.612 176.519 0.037 0.000 1.225 134 W CA 0.347 57.683 57.345 -0.014 0.000 1.271 134 W CB 0.052 29.498 29.460 -0.023 0.000 1.114 134 W HN 0.167 nan 8.180 nan 0.000 0.559 135 R N 0.109 120.667 120.500 0.097 0.000 2.075 135 R HA -0.113 4.228 4.340 0.001 0.000 0.232 135 R C 2.160 178.474 176.300 0.024 0.000 1.126 135 R CA 0.954 57.084 56.100 0.051 0.000 0.963 135 R CB -0.559 29.797 30.300 0.094 0.000 0.858 135 R HN 0.237 nan 8.270 nan 0.000 0.435 136 R N 0.445 120.982 120.500 0.060 0.000 2.073 136 R HA -0.078 4.263 4.340 0.001 0.000 0.234 136 R C 2.311 178.642 176.300 0.051 0.000 1.134 136 R CA 1.240 57.410 56.100 0.117 0.000 0.952 136 R CB -0.273 30.090 30.300 0.106 0.000 0.850 136 R HN 0.215 nan 8.270 nan 0.000 0.433 137 R N 0.436 120.891 120.500 -0.075 0.000 2.152 137 R HA -0.072 4.269 4.340 0.001 0.000 0.232 137 R C 1.813 177.958 176.300 -0.258 0.000 1.117 137 R CA 0.938 56.933 56.100 -0.175 0.000 0.981 137 R CB -0.101 29.920 30.300 -0.465 0.000 0.870 137 R HN 0.243 nan 8.270 nan 0.000 0.451 138 L N -0.853 120.204 121.223 -0.277 0.000 2.640 138 L HA 0.123 4.464 4.340 0.001 0.000 0.230 138 L C 0.309 177.049 176.870 -0.218 0.000 1.123 138 L CA -0.345 54.347 54.840 -0.246 0.000 0.900 138 L CB 0.429 42.344 42.059 -0.240 0.000 1.146 138 L HN 0.238 nan 8.230 nan 0.000 0.484 139 C N 1.157 120.355 119.300 -0.170 0.000 4.365 139 C HA -0.173 4.288 4.460 0.001 0.000 0.299 139 C C 0.627 175.163 174.990 -0.757 0.000 1.409 139 C CA 0.290 59.097 59.018 -0.352 0.000 2.007 139 C CB -2.428 25.084 27.740 -0.381 0.000 1.264 139 C HN 0.569 nan 8.230 nan 0.000 0.777 140 D N -0.097 120.092 120.400 -0.352 0.000 2.428 140 D HA 0.293 4.934 4.640 0.001 0.000 0.221 140 D C 0.427 176.705 176.300 -0.037 0.000 1.123 140 D CA -0.331 53.524 54.000 -0.241 0.000 0.869 140 D CB 0.296 41.053 40.800 -0.073 0.000 1.032 140 D HN 0.542 nan 8.370 nan 0.000 0.506 141 W N 3.882 125.168 121.300 -0.024 0.000 3.305 141 W HA 0.233 4.894 4.660 0.002 0.000 0.392 141 W C 0.379 176.904 176.519 0.010 0.000 1.121 141 W CA -0.758 56.573 57.345 -0.024 0.000 1.909 141 W CB -0.707 28.716 29.460 -0.061 0.000 1.065 141 W HN 0.131 nan 8.180 nan 0.000 0.714 142 R N 1.243 121.851 120.500 0.179 0.000 2.421 142 R HA 0.278 4.619 4.340 0.001 0.000 0.305 142 R C 1.179 177.555 176.300 0.128 0.000 1.039 142 R CA 0.670 56.852 56.100 0.137 0.000 1.003 142 R CB 0.430 30.788 30.300 0.097 0.000 0.959 142 R HN 0.088 nan 8.270 nan 0.000 0.427 143 A N 2.742 125.632 122.820 0.117 0.000 2.832 143 A HA -0.202 4.119 4.320 0.001 0.000 0.280 143 A C 1.115 178.752 177.584 0.088 0.000 1.464 143 A CA 0.726 52.822 52.037 0.098 0.000 0.804 143 A CB -1.569 17.492 19.000 0.103 0.000 1.020 143 A HN 0.739 nan 8.150 nan 0.000 0.563 144 L N 1.103 122.385 121.223 0.099 0.000 1.990 144 L HA -0.205 4.136 4.340 0.001 0.000 0.213 144 L C 2.485 179.371 176.870 0.025 0.000 1.072 144 L CA 3.156 58.036 54.840 0.068 0.000 0.755 144 L CB -0.554 41.540 42.059 0.058 0.000 0.889 144 L HN 0.722 nan 8.230 nan 0.000 0.432 145 D N -1.328 119.082 120.400 0.017 0.000 2.149 145 D HA -0.188 4.453 4.640 0.001 0.000 0.198 145 D C 2.015 178.327 176.300 0.020 0.000 0.990 145 D CA 1.758 55.761 54.000 0.004 0.000 0.839 145 D CB -0.747 40.056 40.800 0.005 0.000 0.948 145 D HN 0.361 nan 8.370 nan 0.000 0.460 146 V N 1.224 121.161 119.914 0.039 0.000 2.379 146 V HA -0.190 3.931 4.120 0.001 0.000 0.245 146 V C 2.850 178.976 176.094 0.053 0.000 1.044 146 V CA 0.995 63.325 62.300 0.050 0.000 1.036 146 V CB -0.567 31.296 31.823 0.066 0.000 0.664 146 V HN 0.152 nan 8.190 nan 0.000 0.453 147 L N -0.106 121.147 121.223 0.048 0.000 2.017 147 L HA -0.167 4.174 4.340 0.001 0.000 0.208 147 L C 2.756 179.640 176.870 0.023 0.000 1.073 147 L CA 1.852 56.707 54.840 0.026 0.000 0.745 147 L CB -0.734 41.323 42.059 -0.003 0.000 0.894 147 L HN 0.368 nan 8.230 nan 0.000 0.432 148 S N -0.296 115.415 115.700 0.019 0.000 2.359 148 S HA -0.247 4.223 4.470 0.001 0.000 0.224 148 S C 2.130 176.753 174.600 0.038 0.000 1.035 148 S CA 1.448 59.658 58.200 0.017 0.000 1.018 148 S CB -0.155 63.034 63.200 -0.019 0.000 0.876 148 S HN 0.451 nan 8.310 nan 0.000 0.448 149 A N 0.723 123.561 122.820 0.030 0.000 1.877 149 A HA -0.157 4.164 4.320 0.001 0.000 0.216 149 A C 2.135 179.748 177.584 0.047 0.000 1.186 149 A CA 1.756 53.815 52.037 0.036 0.000 0.620 149 A CB -0.871 18.147 19.000 0.029 0.000 0.822 149 A HN 0.709 nan 8.150 nan 0.000 0.443 150 Q N -0.582 119.247 119.800 0.048 0.000 2.061 150 Q HA -0.143 4.197 4.340 0.001 0.000 0.204 150 Q C 2.180 178.206 176.000 0.043 0.000 0.984 150 Q CA 1.820 57.652 55.803 0.048 0.000 0.846 150 Q CB -0.395 28.380 28.738 0.061 0.000 0.902 150 Q HN 0.496 nan 8.270 nan 0.000 0.421 151 V N 0.856 120.801 119.914 0.052 0.000 2.343 151 V HA -0.276 3.845 4.120 0.001 0.000 0.247 151 V C 2.166 178.309 176.094 0.083 0.000 1.051 151 V CA 1.900 64.234 62.300 0.056 0.000 1.036 151 V CB -0.486 31.393 31.823 0.094 0.000 0.654 151 V HN 0.304 nan 8.190 nan 0.000 0.451 152 R N 0.198 120.803 120.500 0.176 0.000 2.081 152 R HA -0.098 4.242 4.340 0.001 0.000 0.235 152 R C 2.443 178.792 176.300 0.082 0.000 1.131 152 R CA 1.436 57.678 56.100 0.236 0.000 0.960 152 R CB -0.627 29.795 30.300 0.204 0.000 0.856 152 R HN 0.531 nan 8.270 nan 0.000 0.436 153 A N 1.425 124.276 122.820 0.052 0.000 1.902 153 A HA -0.126 4.195 4.320 0.001 0.000 0.217 153 A C 2.408 179.989 177.584 -0.005 0.000 1.181 153 A CA 1.686 53.737 52.037 0.023 0.000 0.623 153 A CB -0.718 18.297 19.000 0.025 0.000 0.818 153 A HN 0.394 nan 8.150 nan 0.000 0.443 154 A N -0.517 122.294 122.820 -0.015 0.000 1.908 154 A HA -0.053 4.268 4.320 0.001 0.000 0.218 154 A C 2.223 179.753 177.584 -0.089 0.000 1.181 154 A CA 1.896 53.909 52.037 -0.040 0.000 0.627 154 A CB -1.017 17.961 19.000 -0.038 0.000 0.818 154 A HN 0.432 nan 8.150 nan 0.000 0.445 155 V N -0.230 119.593 119.914 -0.152 0.000 2.392 155 V HA -0.267 3.854 4.120 0.001 0.000 0.249 155 V C 3.009 179.021 176.094 -0.137 0.000 1.059 155 V CA 1.977 64.131 62.300 -0.244 0.000 1.051 155 V CB -1.170 30.372 31.823 -0.468 0.000 0.658 155 V HN 0.630 nan 8.190 nan 0.000 0.455 156 A N -0.695 122.082 122.820 -0.071 0.000 1.969 156 A HA -0.196 4.125 4.320 0.001 0.000 0.218 156 A C 2.114 179.677 177.584 -0.034 0.000 1.169 156 A CA 1.314 53.329 52.037 -0.036 0.000 0.635 156 A CB -0.309 18.687 19.000 -0.007 0.000 0.810 156 A HN 0.640 nan 8.150 nan 0.000 0.445 157 Q N -1.439 118.340 119.800 -0.036 0.000 2.451 157 Q HA 0.172 4.513 4.340 0.001 0.000 0.206 157 Q C 1.179 177.157 176.000 -0.038 0.000 0.947 157 Q CA 0.543 56.329 55.803 -0.028 0.000 0.937 157 Q CB 0.049 28.776 28.738 -0.019 0.000 1.025 157 Q HN 0.896 nan 8.270 nan 0.000 0.511 158 G N 1.174 109.938 108.800 -0.059 0.000 2.148 158 G HA2 -0.271 3.690 3.960 0.001 0.000 0.254 158 G HA3 -0.271 3.690 3.960 0.001 0.000 0.254 158 G C 0.141 175.004 174.900 -0.062 0.000 0.981 158 G CA 0.478 45.537 45.100 -0.069 0.000 0.670 158 G HN 0.318 nan 8.290 nan 0.000 0.528 159 V N -1.246 118.637 119.914 -0.052 0.000 3.420 159 V HA 0.834 4.955 4.120 0.001 0.000 0.295 159 V C 1.987 178.061 176.094 -0.033 0.000 1.201 159 V CA 1.503 63.783 62.300 -0.034 0.000 0.995 159 V CB 1.133 32.946 31.823 -0.017 0.000 1.244 159 V HN 2.012 nan 8.190 nan 0.000 0.466 160 G N 0.707 109.511 108.800 0.006 0.000 2.328 160 G HA2 -0.130 3.831 3.960 0.001 0.000 0.256 160 G HA3 -0.130 3.831 3.960 0.001 0.000 0.256 160 G C 1.065 176.011 174.900 0.076 0.000 1.014 160 G CA 0.870 45.997 45.100 0.044 0.000 0.620 160 G HN 2.508 nan 8.290 nan 0.000 0.530 161 A N -1.633 121.194 122.820 0.011 0.000 2.511 161 A HA 0.134 4.455 4.320 0.001 0.000 0.297 161 A C 1.472 179.061 177.584 0.009 0.000 1.476 161 A CA 1.854 53.896 52.037 0.008 0.000 0.757 161 A CB -1.876 17.163 19.000 0.065 0.000 1.072 161 A HN 2.440 nan 8.150 nan 0.000 0.413 162 V N -0.326 119.533 119.914 -0.092 0.000 2.775 162 V HA 0.532 4.653 4.120 0.001 0.000 0.299 162 V C 0.614 176.624 176.094 -0.141 0.000 1.062 162 V CA 0.019 62.247 62.300 -0.119 0.000 1.063 162 V CB 1.398 33.099 31.823 -0.204 0.000 0.994 162 V HN 0.664 nan 8.190 nan 0.000 0.483 163 E N 6.619 126.779 120.200 -0.067 0.000 2.257 163 E HA 0.329 4.680 4.350 0.001 0.000 0.278 163 E C -1.875 174.725 176.600 0.001 0.000 1.049 163 E CA -1.848 54.535 56.400 -0.028 0.000 0.876 163 E CB 1.596 31.340 29.700 0.074 0.000 1.035 163 E HN 0.580 nan 8.360 nan 0.000 0.419 164 P HA -0.185 nan 4.420 nan 0.000 0.216 164 P C 0.831 178.349 177.300 0.364 0.000 1.153 164 P CA 0.941 64.052 63.100 0.018 0.000 0.858 164 P CB 0.028 31.497 31.700 -0.385 0.000 0.789 165 F N 0.362 120.487 119.950 0.292 0.000 2.186 165 F HA -0.050 4.478 4.527 0.002 0.000 0.299 165 F C 2.135 178.052 175.800 0.195 0.000 1.090 165 F CA 1.253 59.471 58.000 0.362 0.000 1.307 165 F CB -0.806 38.385 39.000 0.318 0.000 1.019 165 F HN -0.153 nan 8.300 nan 0.000 0.489 166 A N -0.483 122.385 122.820 0.080 0.000 1.930 166 A HA -0.177 4.144 4.320 0.001 0.000 0.217 166 A C 2.034 179.619 177.584 0.001 0.000 1.175 166 A CA 1.187 53.198 52.037 -0.044 0.000 0.627 166 A CB -1.492 17.536 19.000 0.048 0.000 0.815 166 A HN 0.436 nan 8.150 nan 0.000 0.443 167 F N 0.641 120.531 119.950 -0.101 0.000 2.451 167 F HA -0.010 4.518 4.527 0.001 0.000 0.299 167 F C 1.689 177.408 175.800 -0.136 0.000 1.101 167 F CA 0.586 58.527 58.000 -0.100 0.000 1.436 167 F CB -0.240 38.715 39.000 -0.075 0.000 1.074 167 F HN 0.128 nan 8.300 nan 0.000 0.553 168 L N -1.170 119.961 121.223 -0.153 0.000 2.353 168 L HA -0.181 4.160 4.340 0.001 0.000 0.220 168 L C 2.096 178.812 176.870 -0.258 0.000 1.133 168 L CA 1.005 55.646 54.840 -0.332 0.000 0.798 168 L CB -0.736 40.984 42.059 -0.565 0.000 0.922 168 L HN -0.024 nan 8.230 nan 0.000 0.445 169 S N -1.350 114.262 115.700 -0.146 0.000 2.558 169 S HA 0.037 4.508 4.470 0.001 0.000 0.217 169 S C 0.651 175.155 174.600 -0.160 0.000 0.975 169 S CA 0.188 58.364 58.200 -0.040 0.000 0.912 169 S CB -0.042 63.171 63.200 0.022 0.000 0.776 169 S HN 0.316 nan 8.310 nan 0.000 0.526 170 E N 1.585 121.602 120.200 -0.305 0.000 2.314 170 E HA 0.191 4.542 4.350 0.001 0.000 0.262 170 E C -0.597 175.768 176.600 -0.393 0.000 1.093 170 E CA -0.454 55.725 56.400 -0.369 0.000 0.908 170 E CB 0.346 29.710 29.700 -0.560 0.000 1.091 170 E HN -0.059 nan 8.360 nan 0.000 0.425 171 D N 0.641 120.859 120.400 -0.304 0.000 2.870 171 D HA 0.218 4.859 4.640 0.001 0.000 0.241 171 D C -0.378 175.768 176.300 -0.257 0.000 1.234 171 D CA 0.012 53.863 54.000 -0.249 0.000 0.844 171 D CB -0.274 40.432 40.800 -0.157 0.000 1.051 171 D HN 0.339 nan 8.370 nan 0.000 0.469 172 A N 0.212 122.796 122.820 -0.392 0.000 2.293 172 A HA 0.541 4.861 4.320 0.001 0.000 0.302 172 A C 0.837 178.261 177.584 -0.267 0.000 1.119 172 A CA -0.555 51.275 52.037 -0.345 0.000 0.823 172 A CB 0.782 19.417 19.000 -0.610 0.000 1.097 172 A HN 0.246 nan 8.150 nan 0.000 0.491 173 S N 0.462 116.044 115.700 -0.196 0.000 2.661 173 S HA 0.499 4.970 4.470 0.001 0.000 0.265 173 S C 1.269 175.680 174.600 -0.315 0.000 1.225 173 S CA -0.039 58.019 58.200 -0.237 0.000 0.986 173 S CB 0.942 64.010 63.200 -0.220 0.000 1.008 173 S HN 1.634 nan 8.310 nan 0.000 0.565 174 A N 0.561 123.074 122.820 -0.511 0.000 2.019 174 A HA 0.185 4.506 4.320 0.001 0.000 0.219 174 A C 2.308 179.497 177.584 -0.657 0.000 1.164 174 A CA 1.642 53.291 52.037 -0.646 0.000 0.644 174 A CB -1.640 16.775 19.000 -0.974 0.000 0.805 174 A HN 1.242 nan 8.150 nan 0.000 0.449 175 A N -0.048 122.350 122.820 -0.704 0.000 1.873 175 A HA -0.161 4.160 4.320 0.001 0.000 0.215 175 A C 1.920 179.471 177.584 -0.054 0.000 1.186 175 A CA 1.609 53.517 52.037 -0.216 0.000 0.616 175 A CB -0.528 18.439 19.000 -0.055 0.000 0.823 175 A HN 0.604 nan 8.150 nan 0.000 0.442 176 E N -0.401 119.776 120.200 -0.037 0.000 2.077 176 E HA -0.237 4.114 4.350 0.001 0.000 0.193 176 E C 2.319 179.034 176.600 0.192 0.000 0.989 176 E CA 1.411 57.877 56.400 0.110 0.000 0.800 176 E CB -0.200 29.623 29.700 0.204 0.000 0.746 176 E HN 0.715 nan 8.360 nan 0.000 0.452 177 Q N 0.272 120.156 119.800 0.141 0.000 2.061 177 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 177 Q C 2.362 178.390 176.000 0.047 0.000 0.984 177 Q CA 1.106 57.005 55.803 0.161 0.000 0.846 177 Q CB -0.191 28.562 28.738 0.026 0.000 0.902 177 Q HN 0.203 nan 8.270 nan 0.000 0.421 178 L N 0.695 121.914 121.223 -0.007 0.000 2.042 178 L HA -0.163 4.178 4.340 0.001 0.000 0.210 178 L C 2.127 178.979 176.870 -0.030 0.000 1.076 178 L CA 2.222 57.055 54.840 -0.012 0.000 0.749 178 L CB -0.879 41.208 42.059 0.046 0.000 0.893 178 L HN 0.125 nan 8.230 nan 0.000 0.432 179 A N -1.107 121.697 122.820 -0.026 0.000 1.877 179 A HA -0.284 4.037 4.320 0.001 0.000 0.216 179 A C 2.560 180.065 177.584 -0.133 0.000 1.186 179 A CA 1.765 53.765 52.037 -0.062 0.000 0.620 179 A CB -1.677 17.293 19.000 -0.050 0.000 0.822 179 A HN 0.706 nan 8.150 nan 0.000 0.443 180 C N -0.618 118.574 119.300 -0.181 0.000 2.398 180 C HA -0.031 4.430 4.460 0.001 0.000 0.276 180 C C 3.166 177.972 174.990 -0.307 0.000 1.222 180 C CA 1.559 60.390 59.018 -0.312 0.000 1.746 180 C CB -1.388 26.093 27.740 -0.431 0.000 2.039 180 C HN 0.680 nan 8.230 nan 0.000 0.470 181 A N 0.173 122.846 122.820 -0.244 0.000 1.858 181 A HA -0.153 4.168 4.320 0.001 0.000 0.216 181 A C 2.317 179.745 177.584 -0.261 0.000 1.190 181 A CA 1.716 53.553 52.037 -0.333 0.000 0.617 181 A CB -0.769 18.155 19.000 -0.126 0.000 0.827 181 A HN 0.728 nan 8.150 nan 0.000 0.443 182 R N -0.978 119.432 120.500 -0.149 0.000 2.096 182 R HA -0.134 4.207 4.340 0.001 0.000 0.240 182 R C 2.360 178.595 176.300 -0.108 0.000 1.139 182 R CA 2.050 58.085 56.100 -0.107 0.000 0.952 182 R CB -0.810 29.443 30.300 -0.077 0.000 0.854 182 R HN 0.583 nan 8.270 nan 0.000 0.436 183 T N 0.300 114.770 114.554 -0.139 0.000 2.684 183 T HA -0.157 4.193 4.350 0.001 0.000 0.267 183 T C 1.820 176.441 174.700 -0.131 0.000 1.036 183 T CA 1.134 63.160 62.100 -0.123 0.000 1.148 183 T CB -0.145 68.636 68.868 -0.145 0.000 0.863 183 T HN 0.257 nan 8.240 nan 0.000 0.436 184 R N 0.545 120.893 120.500 -0.253 0.000 2.081 184 R HA 0.015 4.356 4.340 0.001 0.000 0.235 184 R C 2.796 179.067 176.300 -0.048 0.000 1.131 184 R CA 1.305 57.226 56.100 -0.298 0.000 0.960 184 R CB -0.569 29.255 30.300 -0.794 0.000 0.856 184 R HN 0.400 nan 8.270 nan 0.000 0.436 185 A N 1.055 123.887 122.820 0.019 0.000 1.877 185 A HA -0.222 4.098 4.320 0.001 0.000 0.216 185 A C 2.050 179.802 177.584 0.280 0.000 1.186 185 A CA 1.311 53.524 52.037 0.293 0.000 0.620 185 A CB -0.494 18.492 19.000 -0.023 0.000 0.822 185 A HN 0.362 nan 8.150 nan 0.000 0.443 186 Q N -0.744 119.123 119.800 0.112 0.000 2.170 186 Q HA -0.109 4.231 4.340 0.001 0.000 0.203 186 Q C 2.365 178.440 176.000 0.126 0.000 0.976 186 Q CA 1.270 57.139 55.803 0.110 0.000 0.858 186 Q CB -0.367 28.393 28.738 0.038 0.000 0.907 186 Q HN 0.713 nan 8.270 nan 0.000 0.433 187 A N 0.945 123.829 122.820 0.106 0.000 1.854 187 A HA -0.153 4.168 4.320 0.001 0.000 0.214 187 A C 1.972 179.635 177.584 0.131 0.000 1.192 187 A CA 0.979 53.069 52.037 0.088 0.000 0.611 187 A CB -0.411 18.620 19.000 0.051 0.000 0.832 187 A HN 0.227 nan 8.150 nan 0.000 0.442 188 I N 0.339 121.034 120.570 0.208 0.000 2.208 188 I HA -0.269 3.902 4.170 0.001 0.000 0.245 188 I C 2.935 179.156 176.117 0.174 0.000 1.097 188 I CA 1.564 62.988 61.300 0.205 0.000 1.363 188 I CB -1.683 36.526 38.000 0.349 0.000 1.051 188 I HN 0.365 nan 8.210 nan 0.000 0.413 189 A N 0.888 123.901 122.820 0.323 0.000 1.978 189 A HA -0.136 4.185 4.320 0.001 0.000 0.220 189 A C 2.575 180.248 177.584 0.147 0.000 1.170 189 A CA 2.036 54.248 52.037 0.292 0.000 0.636 189 A CB -0.678 18.561 19.000 0.399 0.000 0.810 189 A HN 0.445 nan 8.150 nan 0.000 0.448 190 A N 0.229 123.122 122.820 0.121 0.000 1.873 190 A HA -0.045 4.276 4.320 0.001 0.000 0.215 190 A C 2.295 179.913 177.584 0.056 0.000 1.186 190 A CA 1.987 54.070 52.037 0.077 0.000 0.616 190 A CB -0.905 18.133 19.000 0.063 0.000 0.823 190 A HN 1.086 nan 8.150 nan 0.000 0.442 191 S N -1.277 114.455 115.700 0.053 0.000 2.786 191 S HA 0.364 4.835 4.470 0.001 0.000 0.223 191 S C 0.051 174.670 174.600 0.031 0.000 0.956 191 S CA 0.071 58.294 58.200 0.039 0.000 0.961 191 S CB -0.506 62.715 63.200 0.036 0.000 0.784 191 S HN 0.169 nan 8.310 nan 0.000 0.519 192 V N 1.010 120.938 119.914 0.025 0.000 2.760 192 V HA 0.486 4.607 4.120 0.001 0.000 0.309 192 V C -0.412 175.684 176.094 0.003 0.000 1.077 192 V CA -0.909 61.394 62.300 0.006 0.000 0.910 192 V CB 2.157 33.958 31.823 -0.037 0.000 1.008 192 V HN 0.289 nan 8.190 nan 0.000 0.424 193 R N 3.919 124.416 120.500 -0.005 0.000 2.239 193 R HA 0.452 4.793 4.340 0.001 0.000 0.332 193 R C -2.554 173.732 176.300 -0.024 0.000 0.988 193 R CA -1.711 54.385 56.100 -0.007 0.000 0.859 193 R CB 1.653 31.950 30.300 -0.006 0.000 1.148 193 R HN 0.477 nan 8.270 nan 0.000 0.482 194 P HA -0.093 nan 4.420 nan 0.000 0.265 194 P C -0.256 177.022 177.300 -0.037 0.000 1.187 194 P CA -0.223 62.856 63.100 -0.034 0.000 0.766 194 P CB 0.482 32.178 31.700 -0.008 0.000 0.820 195 L N 1.958 123.149 121.223 -0.054 0.000 2.444 195 L HA 0.206 4.547 4.340 0.001 0.000 0.251 195 L C 0.899 177.747 176.870 -0.036 0.000 1.247 195 L CA 0.129 54.938 54.840 -0.052 0.000 0.825 195 L CB -0.747 41.270 42.059 -0.070 0.000 1.129 195 L HN 0.435 nan 8.230 nan 0.000 0.527 196 A N 1.245 124.045 122.820 -0.033 0.000 2.498 196 A HA 0.427 4.747 4.320 0.001 0.000 0.239 196 A C -2.179 175.391 177.584 -0.024 0.000 1.068 196 A CA -0.802 51.221 52.037 -0.024 0.000 0.766 196 A CB -0.955 18.032 19.000 -0.023 0.000 1.003 196 A HN 0.557 nan 8.150 nan 0.000 0.497 197 P HA 0.357 nan 4.420 nan 0.000 0.275 197 P C 0.161 177.455 177.300 -0.010 0.000 1.227 197 P CA 0.097 63.191 63.100 -0.009 0.000 0.781 197 P CB 1.148 32.849 31.700 0.002 0.000 0.906 198 T N 0.141 114.689 114.554 -0.011 0.000 2.669 198 T HA 0.744 5.095 4.350 0.001 0.000 0.283 198 T C -0.442 174.261 174.700 0.005 0.000 1.019 198 T CA -1.022 61.073 62.100 -0.008 0.000 1.039 198 T CB 1.655 70.508 68.868 -0.024 0.000 1.374 198 T HN 0.265 nan 8.240 nan 0.000 0.523 199 R N -0.643 119.865 120.500 0.013 0.000 2.817 199 R HA 0.699 5.039 4.340 0.001 0.000 0.268 199 R C -1.042 175.280 176.300 0.038 0.000 1.027 199 R CA -1.049 55.072 56.100 0.036 0.000 0.928 199 R CB 1.956 32.288 30.300 0.054 0.000 1.228 199 R HN 0.496 nan 8.270 nan 0.000 0.469 200 V N 2.875 122.827 119.914 0.064 0.000 2.843 200 V HA -0.041 4.080 4.120 0.001 0.000 0.305 200 V C 1.906 178.071 176.094 0.118 0.000 1.065 200 V CA 0.175 62.517 62.300 0.069 0.000 1.116 200 V CB 0.797 32.679 31.823 0.100 0.000 0.968 200 V HN 0.814 nan 8.190 nan 0.000 0.487 201 R N 3.137 123.717 120.500 0.134 0.000 2.105 201 R HA -0.154 4.187 4.340 0.001 0.000 0.239 201 R C 1.509 177.936 176.300 0.212 0.000 1.135 201 R CA 1.625 57.825 56.100 0.165 0.000 0.967 201 R CB -0.547 29.851 30.300 0.164 0.000 0.861 201 R HN 1.206 nan 8.270 nan 0.000 0.442 202 S N -0.271 115.654 115.700 0.376 0.000 2.929 202 S HA -0.330 4.141 4.470 0.001 0.000 0.271 202 S C 1.106 175.718 174.600 0.018 0.000 1.295 202 S CA 1.746 60.050 58.200 0.173 0.000 1.277 202 S CB -1.513 61.735 63.200 0.079 0.000 1.557 202 S HN 0.781 nan 8.310 nan 0.000 0.666 203 K N 1.751 122.240 120.400 0.147 0.000 2.262 203 K HA 0.471 4.792 4.320 0.001 0.000 0.200 203 K C 1.218 177.918 176.600 0.167 0.000 1.058 203 K CA 0.855 57.191 56.287 0.083 0.000 0.974 203 K CB 0.015 32.569 32.500 0.090 0.000 0.910 203 K HN 1.772 nan 8.250 nan 0.000 0.484 204 G N 1.827 110.919 108.800 0.487 0.000 2.825 204 G HA2 -0.183 3.778 3.960 0.001 0.000 0.684 204 G HA3 -0.183 3.778 3.960 0.001 0.000 0.684 204 G C -2.594 172.482 174.900 0.294 0.000 1.528 204 G CA -0.492 44.997 45.100 0.648 0.000 0.963 204 G HN 0.220 nan 8.290 nan 0.000 0.577 205 P HA 0.326 nan 4.420 nan 0.000 0.268 205 P C 0.168 177.564 177.300 0.161 0.000 1.208 205 P CA -0.556 62.686 63.100 0.237 0.000 0.777 205 P CB 0.505 32.297 31.700 0.153 0.000 0.875 206 L N 3.647 124.873 121.223 0.004 0.000 2.331 206 L HA 0.234 4.575 4.340 0.001 0.000 0.278 206 L C 0.459 177.302 176.870 -0.046 0.000 1.106 206 L CA 0.195 54.908 54.840 -0.210 0.000 0.824 206 L CB -0.028 41.687 42.059 -0.573 0.000 1.142 206 L HN 0.271 nan 8.230 nan 0.000 0.443 207 R N 4.330 124.819 120.500 -0.017 0.000 2.246 207 R HA 0.522 4.863 4.340 0.001 0.000 0.332 207 R C -1.236 175.115 176.300 0.085 0.000 0.974 207 R CA -0.734 55.416 56.100 0.082 0.000 0.837 207 R CB 1.216 31.533 30.300 0.028 0.000 1.145 207 R HN 0.360 nan 8.270 nan 0.000 0.467 208 V N 2.251 122.275 119.914 0.183 0.000 2.398 208 V HA 0.532 4.653 4.120 0.001 0.000 0.286 208 V C 0.687 176.943 176.094 0.270 0.000 1.026 208 V CA -0.778 61.630 62.300 0.181 0.000 0.868 208 V CB 1.621 33.571 31.823 0.212 0.000 0.982 208 V HN 0.908 nan 8.190 nan 0.000 0.443 209 G N 3.074 111.986 108.800 0.186 0.000 2.432 209 G HA2 0.756 4.717 3.960 0.001 0.000 0.331 209 G HA3 0.756 4.717 3.960 0.001 0.000 0.331 209 G C -1.437 173.556 174.900 0.154 0.000 1.170 209 G CA -0.433 44.915 45.100 0.413 0.000 0.943 209 G HN 0.439 nan 8.290 nan 0.000 0.483 210 F N 0.613 120.956 119.950 0.655 0.000 2.536 210 F HA 0.427 4.955 4.527 0.001 0.000 0.322 210 F C -0.133 176.109 175.800 0.737 0.000 1.144 210 F CA -0.852 57.559 58.000 0.685 0.000 0.924 210 F CB 2.748 42.129 39.000 0.636 0.000 1.181 210 F HN 0.241 nan 8.300 nan 0.000 0.438 211 V N 2.439 122.810 119.914 0.761 0.000 2.398 211 V HA 0.758 4.878 4.120 0.001 0.000 0.286 211 V C -0.303 175.978 176.094 0.312 0.000 1.026 211 V CA -0.360 62.288 62.300 0.581 0.000 0.868 211 V CB 1.380 33.503 31.823 0.501 0.000 0.982 211 V HN 0.797 nan 8.190 nan 0.000 0.443 212 S N 2.723 118.431 115.700 0.014 0.000 2.588 212 S HA 0.420 4.891 4.470 0.001 0.000 0.269 212 S C -0.021 174.328 174.600 -0.419 0.000 1.157 212 S CA -0.419 57.542 58.200 -0.398 0.000 0.824 212 S CB 1.901 64.516 63.200 -0.975 0.000 1.126 212 S HN 0.860 nan 8.310 nan 0.000 0.464 213 N N 0.893 119.352 118.700 -0.403 0.000 2.184 213 N HA 0.179 4.920 4.740 0.001 0.000 0.206 213 N C 0.798 176.021 175.510 -0.478 0.000 1.151 213 N CA 0.304 53.179 53.050 -0.291 0.000 0.878 213 N CB 0.413 38.795 38.487 -0.174 0.000 1.014 213 N HN 0.555 nan 8.380 nan 0.000 0.512 214 G N 0.014 108.333 108.800 -0.801 0.000 3.605 214 G HA2 0.201 4.162 3.960 0.001 0.000 0.277 214 G HA3 0.201 4.162 3.960 0.001 0.000 0.277 214 G C -0.734 173.923 174.900 -0.405 0.000 1.093 214 G CA -0.403 44.091 45.100 -1.010 0.000 0.821 214 G HN 0.063 nan 8.290 nan 0.000 0.532 215 F N 2.096 121.970 119.950 -0.127 0.000 2.541 215 F HA 0.481 5.009 4.527 0.001 0.000 0.347 215 F C 1.090 176.864 175.800 -0.044 0.000 1.242 215 F CA -0.334 57.629 58.000 -0.061 0.000 1.123 215 F CB 0.194 39.164 39.000 -0.051 0.000 1.354 215 F HN 0.234 nan 8.300 nan 0.000 0.621 216 G N 2.088 110.981 108.800 0.155 0.000 3.373 216 G HA2 0.450 4.411 3.960 0.001 0.000 0.685 216 G HA3 0.450 4.411 3.960 0.001 0.000 0.685 216 G C 0.132 175.074 174.900 0.069 0.000 1.166 216 G CA -0.583 44.567 45.100 0.084 0.000 1.063 216 G HN 1.638 nan 8.290 nan 0.000 0.481 217 A N 1.370 124.215 122.820 0.042 0.000 2.914 217 A HA 0.114 4.435 4.320 0.001 0.000 0.280 217 A C 0.336 177.970 177.584 0.083 0.000 1.447 217 A CA 2.295 54.352 52.037 0.033 0.000 0.759 217 A CB -1.747 17.276 19.000 0.039 0.000 1.034 217 A HN 2.736 nan 8.150 nan 0.000 0.529 218 H N -2.479 116.559 119.070 -0.054 0.000 3.064 218 H HA 0.420 4.976 4.556 0.001 0.000 0.352 218 H C -2.625 172.663 175.328 -0.067 0.000 1.260 218 H CA -0.596 55.422 56.048 -0.051 0.000 1.160 218 H CB 1.330 31.065 29.762 -0.045 0.000 1.879 218 H HN -0.039 nan 8.280 nan 0.000 0.544 219 P HA -0.185 nan 4.420 nan 0.000 0.216 219 P C 1.328 178.690 177.300 0.103 0.000 1.167 219 P CA 2.823 65.917 63.100 -0.010 0.000 0.914 219 P CB 0.046 31.698 31.700 -0.079 0.000 0.793 220 T N -1.084 113.641 114.554 0.285 0.000 2.624 220 T HA -0.182 4.169 4.350 0.001 0.000 0.268 220 T C 1.958 176.687 174.700 0.049 0.000 1.041 220 T CA 2.057 64.201 62.100 0.074 0.000 1.159 220 T CB -1.413 67.419 68.868 -0.061 0.000 0.863 220 T HN 0.259 nan 8.240 nan 0.000 0.434 221 G N 0.978 109.841 108.800 0.105 0.000 2.402 221 G HA2 -0.120 3.841 3.960 0.001 0.000 0.216 221 G HA3 -0.120 3.841 3.960 0.001 0.000 0.216 221 G C 1.514 176.429 174.900 0.024 0.000 1.162 221 G CA 0.665 45.861 45.100 0.160 0.000 0.777 221 G HN 0.419 nan 8.290 nan 0.000 0.539 222 L N 0.379 121.582 121.223 -0.034 0.000 2.127 222 L HA 0.093 4.434 4.340 0.001 0.000 0.211 222 L C 2.543 179.313 176.870 -0.166 0.000 1.089 222 L CA 1.363 56.122 54.840 -0.135 0.000 0.757 222 L CB -0.287 41.648 42.059 -0.207 0.000 0.899 222 L HN 0.209 nan 8.230 nan 0.000 0.434 223 L N -1.397 119.730 121.223 -0.161 0.000 2.270 223 L HA -0.058 4.283 4.340 0.001 0.000 0.210 223 L C 2.139 178.800 176.870 -0.349 0.000 1.104 223 L CA 1.299 55.990 54.840 -0.249 0.000 0.804 223 L CB -0.675 41.229 42.059 -0.258 0.000 0.937 223 L HN 0.463 nan 8.230 nan 0.000 0.450 224 T N -3.941 110.433 114.554 -0.300 0.000 3.044 224 T HA 0.019 4.370 4.350 0.001 0.000 0.250 224 T C 1.733 176.210 174.700 -0.371 0.000 1.081 224 T CA 0.557 62.380 62.100 -0.462 0.000 1.040 224 T CB -0.348 68.236 68.868 -0.473 0.000 0.962 224 T HN 0.120 nan 8.240 nan 0.000 0.506 225 V N 1.513 121.334 119.914 -0.156 0.000 2.252 225 V HA -0.110 4.011 4.120 0.001 0.000 0.249 225 V C 3.025 179.032 176.094 -0.146 0.000 1.056 225 V CA 1.760 64.013 62.300 -0.079 0.000 1.022 225 V CB -1.978 29.799 31.823 -0.077 0.000 0.641 225 V HN 0.536 nan 8.190 nan 0.000 0.445 226 A N 0.175 122.861 122.820 -0.223 0.000 1.940 226 A HA -0.092 4.229 4.320 0.001 0.000 0.219 226 A C 2.361 179.791 177.584 -0.255 0.000 1.176 226 A CA 2.158 54.059 52.037 -0.226 0.000 0.631 226 A CB -0.633 18.204 19.000 -0.272 0.000 0.814 226 A HN 0.585 nan 8.150 nan 0.000 0.446 227 L N -1.776 119.206 121.223 -0.403 0.000 2.027 227 L HA -0.142 4.199 4.340 0.001 0.000 0.206 227 L C 2.373 179.030 176.870 -0.355 0.000 1.074 227 L CA 1.670 56.225 54.840 -0.476 0.000 0.745 227 L CB -0.346 41.237 42.059 -0.792 0.000 0.898 227 L HN 0.412 nan 8.230 nan 0.000 0.433 228 F N 0.592 120.406 119.950 -0.228 0.000 2.234 228 F HA -0.183 4.345 4.527 0.002 0.000 0.299 228 F C 2.524 178.238 175.800 -0.143 0.000 1.087 228 F CA 1.138 59.017 58.000 -0.202 0.000 1.340 228 F CB -0.544 38.294 39.000 -0.270 0.000 1.031 228 F HN 0.152 nan 8.300 nan 0.000 0.500 229 E N -0.106 120.109 120.200 0.024 0.000 2.072 229 E HA -0.151 4.200 4.350 0.001 0.000 0.191 229 E C 2.426 179.016 176.600 -0.017 0.000 0.985 229 E CA 0.984 57.376 56.400 -0.013 0.000 0.801 229 E CB -0.289 29.383 29.700 -0.047 0.000 0.750 229 E HN 0.332 nan 8.360 nan 0.000 0.452 230 A N 1.041 123.838 122.820 -0.038 0.000 1.898 230 A HA -0.139 4.181 4.320 0.001 0.000 0.216 230 A C 2.168 179.767 177.584 0.024 0.000 1.181 230 A CA 0.946 52.970 52.037 -0.022 0.000 0.620 230 A CB -0.589 18.384 19.000 -0.045 0.000 0.819 230 A HN 0.123 nan 8.150 nan 0.000 0.442 231 L N -0.718 120.535 121.223 0.049 0.000 2.046 231 L HA -0.263 4.077 4.340 0.001 0.000 0.208 231 L C 2.923 179.843 176.870 0.084 0.000 1.077 231 L CA 1.895 56.798 54.840 0.105 0.000 0.747 231 L CB -0.519 41.648 42.059 0.179 0.000 0.896 231 L HN 0.633 nan 8.230 nan 0.000 0.432 232 Q N 0.389 120.226 119.800 0.063 0.000 2.096 232 Q HA -0.282 4.059 4.340 0.001 0.000 0.204 232 Q C 2.346 178.360 176.000 0.023 0.000 0.982 232 Q CA 1.893 57.714 55.803 0.030 0.000 0.850 232 Q CB -0.035 28.702 28.738 -0.001 0.000 0.901 232 Q HN 0.370 nan 8.270 nan 0.000 0.422 233 R N -0.465 120.047 120.500 0.021 0.000 2.127 233 R HA 0.013 4.354 4.340 0.001 0.000 0.217 233 R C 1.474 177.791 176.300 0.029 0.000 1.074 233 R CA 0.839 56.950 56.100 0.017 0.000 0.991 233 R CB 0.244 30.548 30.300 0.006 0.000 0.895 233 R HN 0.166 nan 8.270 nan 0.000 0.450 234 R N -0.670 119.855 120.500 0.041 0.000 2.397 234 R HA 0.190 4.530 4.340 0.001 0.000 0.241 234 R C -0.046 176.292 176.300 0.064 0.000 0.914 234 R CA 0.048 56.179 56.100 0.051 0.000 1.071 234 R CB 0.987 31.320 30.300 0.056 0.000 1.116 234 R HN 0.095 nan 8.270 nan 0.000 0.524 235 Q N -0.377 119.464 119.800 0.069 0.000 3.007 235 Q HA 0.174 4.515 4.340 0.001 0.000 0.321 235 Q C -2.427 173.617 176.000 0.073 0.000 0.784 235 Q CA -1.332 54.517 55.803 0.078 0.000 0.990 235 Q CB 1.707 30.502 28.738 0.096 0.000 1.493 235 Q HN 0.015 nan 8.270 nan 0.000 0.382 236 P HA -0.192 nan 4.420 nan 0.000 0.219 236 P C 0.996 178.335 177.300 0.064 0.000 1.146 236 P CA 1.328 64.459 63.100 0.052 0.000 0.808 236 P CB 0.250 31.975 31.700 0.042 0.000 0.779 237 D N -0.468 119.979 120.400 0.079 0.000 2.218 237 D HA -0.125 4.515 4.640 0.001 0.000 0.204 237 D C 0.650 177.010 176.300 0.101 0.000 0.976 237 D CA 0.686 54.747 54.000 0.103 0.000 0.853 237 D CB -0.615 40.261 40.800 0.127 0.000 0.939 237 D HN 0.230 nan 8.370 nan 0.000 0.481 238 L N 1.132 122.404 121.223 0.082 0.000 2.260 238 L HA 0.180 4.521 4.340 0.001 0.000 0.289 238 L C 0.431 177.356 176.870 0.092 0.000 1.057 238 L CA -0.338 54.544 54.840 0.070 0.000 0.811 238 L CB 1.386 43.486 42.059 0.069 0.000 1.184 238 L HN -0.132 nan 8.230 nan 0.000 0.429 239 Q N 4.262 124.125 119.800 0.105 0.000 2.389 239 Q HA 0.252 4.593 4.340 0.001 0.000 0.244 239 Q C -0.683 175.426 176.000 0.181 0.000 1.056 239 Q CA -0.596 55.279 55.803 0.120 0.000 0.908 239 Q CB 0.684 29.526 28.738 0.173 0.000 1.273 239 Q HN 0.477 nan 8.270 nan 0.000 0.471 240 M N 3.649 123.295 119.600 0.077 0.000 2.162 240 M HA 0.221 4.702 4.480 0.001 0.000 0.356 240 M C -0.503 175.714 176.300 -0.138 0.000 1.303 240 M CA 0.256 55.612 55.300 0.093 0.000 1.116 240 M CB 0.548 33.150 32.600 0.003 0.000 1.632 240 M HN 0.476 nan 8.290 nan 0.000 0.469 241 H N 3.745 122.840 119.070 0.042 0.000 2.658 241 H HA 0.438 4.994 4.556 0.001 0.000 0.337 241 H C -1.188 174.061 175.328 -0.131 0.000 1.009 241 H CA -0.800 55.167 56.048 -0.135 0.000 1.231 241 H CB 2.013 31.743 29.762 -0.054 0.000 1.508 241 H HN 0.400 nan 8.280 nan 0.000 0.517 242 L N 4.026 125.048 121.223 -0.335 0.000 2.287 242 L HA 0.256 4.597 4.340 0.001 0.000 0.287 242 L C -0.554 176.189 176.870 -0.212 0.000 1.022 242 L CA -0.219 54.458 54.840 -0.272 0.000 0.814 242 L CB 0.458 42.035 42.059 -0.805 0.000 1.217 242 L HN 0.469 nan 8.230 nan 0.000 0.420 243 F N 3.268 123.454 119.950 0.394 0.000 2.300 243 F HA 0.540 5.068 4.527 0.001 0.000 0.364 243 F C 0.784 176.835 175.800 0.417 0.000 1.090 243 F CA -0.669 57.553 58.000 0.370 0.000 1.200 243 F CB 0.617 39.785 39.000 0.280 0.000 1.493 243 F HN 0.523 nan 8.300 nan 0.000 0.518 244 A N 1.290 124.396 122.820 0.477 0.000 2.409 244 A HA 0.396 4.717 4.320 0.001 0.000 0.267 244 A C 1.095 178.825 177.584 0.243 0.000 1.127 244 A CA -0.077 52.232 52.037 0.453 0.000 0.795 244 A CB -0.014 19.224 19.000 0.397 0.000 1.061 244 A HN 0.726 nan 8.150 nan 0.000 0.502 245 T N -0.567 114.076 114.554 0.148 0.000 3.186 245 T HA 0.377 4.728 4.350 0.001 0.000 0.257 245 T C 0.349 175.075 174.700 0.042 0.000 1.029 245 T CA 0.314 62.466 62.100 0.086 0.000 0.916 245 T CB -0.840 68.065 68.868 0.062 0.000 1.041 245 T HN 1.086 nan 8.240 nan 0.000 0.562 246 S N -0.585 115.144 115.700 0.049 0.000 2.549 246 S HA 0.802 5.273 4.470 0.001 0.000 0.280 246 S C 0.299 174.926 174.600 0.045 0.000 1.109 246 S CA -0.761 57.456 58.200 0.028 0.000 0.905 246 S CB 1.453 64.652 63.200 -0.002 0.000 1.081 246 S HN 0.422 nan 8.310 nan 0.000 0.477 247 G N 0.319 109.137 108.800 0.030 0.000 2.621 247 G HA2 0.355 4.316 3.960 0.001 0.000 0.271 247 G HA3 0.355 4.316 3.960 0.001 0.000 0.271 247 G C -0.566 174.350 174.900 0.027 0.000 1.236 247 G CA -0.452 44.664 45.100 0.026 0.000 0.958 247 G HN 0.790 nan 8.290 nan 0.000 0.512 248 D N -0.334 120.077 120.400 0.018 0.000 2.417 248 D HA 0.039 4.680 4.640 0.001 0.000 0.250 248 D C 0.629 176.938 176.300 0.015 0.000 1.166 248 D CA -0.292 53.717 54.000 0.014 0.000 0.881 248 D CB 1.203 42.004 40.800 0.001 0.000 1.164 248 D HN 0.357 nan 8.370 nan 0.000 0.467 249 D N 2.165 122.577 120.400 0.020 0.000 2.369 249 D HA 0.133 4.774 4.640 0.001 0.000 0.211 249 D C 1.368 177.678 176.300 0.017 0.000 1.077 249 D CA 0.367 54.379 54.000 0.021 0.000 0.842 249 D CB 0.007 40.824 40.800 0.029 0.000 0.947 249 D HN 0.583 nan 8.370 nan 0.000 0.509 250 G N 0.491 109.298 108.800 0.011 0.000 2.176 250 G HA2 -0.284 3.677 3.960 0.001 0.000 0.253 250 G HA3 -0.284 3.677 3.960 0.001 0.000 0.253 250 G C 0.397 175.303 174.900 0.009 0.000 0.979 250 G CA 0.444 45.548 45.100 0.008 0.000 0.641 250 G HN 0.805 nan 8.290 nan 0.000 0.530 251 S N -0.714 114.994 115.700 0.013 0.000 2.603 251 S HA 0.595 5.066 4.470 0.001 0.000 0.268 251 S C 1.350 175.953 174.600 0.005 0.000 1.317 251 S CA 0.748 58.956 58.200 0.014 0.000 1.012 251 S CB 1.682 64.894 63.200 0.020 0.000 0.926 251 S HN 0.330 nan 8.310 nan 0.000 0.539 252 T N 1.716 116.274 114.554 0.005 0.000 2.788 252 T HA -0.046 4.305 4.350 0.001 0.000 0.268 252 T C 1.696 176.387 174.700 -0.014 0.000 1.044 252 T CA 1.394 63.491 62.100 -0.004 0.000 1.139 252 T CB -0.625 68.243 68.868 0.002 0.000 0.867 252 T HN 0.507 nan 8.240 nan 0.000 0.454 253 L N 0.667 121.884 121.223 -0.010 0.000 1.990 253 L HA -0.175 4.166 4.340 0.001 0.000 0.213 253 L C 2.814 179.675 176.870 -0.015 0.000 1.072 253 L CA 1.466 56.296 54.840 -0.015 0.000 0.755 253 L CB -0.450 41.604 42.059 -0.009 0.000 0.889 253 L HN 0.129 nan 8.230 nan 0.000 0.432 254 R N -0.009 120.491 120.500 -0.000 0.000 2.091 254 R HA -0.153 4.188 4.340 0.001 0.000 0.238 254 R C 2.143 178.411 176.300 -0.053 0.000 1.136 254 R CA 2.321 58.416 56.100 -0.009 0.000 0.959 254 R CB -1.017 29.290 30.300 0.011 0.000 0.856 254 R HN 0.243 nan 8.270 nan 0.000 0.437 255 T N 0.347 114.874 114.554 -0.044 0.000 2.777 255 T HA -0.053 4.298 4.350 0.001 0.000 0.266 255 T C 1.791 176.446 174.700 -0.076 0.000 1.040 255 T CA 1.604 63.670 62.100 -0.057 0.000 1.141 255 T CB -0.156 68.688 68.868 -0.039 0.000 0.868 255 T HN 0.330 nan 8.240 nan 0.000 0.444 256 R N 0.468 120.928 120.500 -0.067 0.000 2.092 256 R HA 0.081 4.422 4.340 0.001 0.000 0.231 256 R C 2.443 178.678 176.300 -0.108 0.000 1.119 256 R CA 0.968 57.023 56.100 -0.074 0.000 0.970 256 R CB -0.499 29.767 30.300 -0.057 0.000 0.864 256 R HN 0.342 nan 8.270 nan 0.000 0.440 257 L N 0.128 121.273 121.223 -0.130 0.000 2.046 257 L HA -0.138 4.203 4.340 0.001 0.000 0.208 257 L C 2.688 179.379 176.870 -0.299 0.000 1.077 257 L CA 1.209 55.912 54.840 -0.228 0.000 0.747 257 L CB -0.596 41.295 42.059 -0.280 0.000 0.896 257 L HN 0.240 nan 8.230 nan 0.000 0.432 258 A N 0.319 122.997 122.820 -0.237 0.000 1.940 258 A HA -0.234 4.087 4.320 0.001 0.000 0.219 258 A C 2.052 179.506 177.584 -0.217 0.000 1.176 258 A CA 1.849 53.744 52.037 -0.237 0.000 0.631 258 A CB -0.514 18.387 19.000 -0.166 0.000 0.814 258 A HN 0.660 nan 8.150 nan 0.000 0.446 259 Q N -1.651 118.048 119.800 -0.168 0.000 2.201 259 Q HA 0.575 4.916 4.340 0.001 0.000 0.217 259 Q C 0.514 176.432 176.000 -0.138 0.000 0.860 259 Q CA 0.488 56.206 55.803 -0.141 0.000 0.984 259 Q CB 0.196 28.874 28.738 -0.100 0.000 1.095 259 Q HN 0.438 nan 8.270 nan 0.000 0.477 260 A N 0.420 123.135 122.820 -0.175 0.000 2.609 260 A HA 0.450 4.771 4.320 0.001 0.000 0.286 260 A C 0.125 177.579 177.584 -0.217 0.000 1.138 260 A CA 0.270 52.221 52.037 -0.144 0.000 0.960 260 A CB 0.534 19.478 19.000 -0.093 0.000 1.208 260 A HN 0.445 nan 8.150 nan 0.000 0.541 261 S N -2.141 113.382 115.700 -0.295 0.000 2.660 261 S HA 0.402 4.873 4.470 0.001 0.000 0.264 261 S C -0.859 173.488 174.600 -0.422 0.000 1.131 261 S CA -0.310 57.657 58.200 -0.389 0.000 0.846 261 S CB 0.444 63.291 63.200 -0.587 0.000 1.151 261 S HN 0.165 nan 8.310 nan 0.000 0.486 262 T N 1.910 116.141 114.554 -0.539 0.000 2.781 262 T HA 0.513 4.863 4.350 0.001 0.000 0.305 262 T C -0.498 173.760 174.700 -0.738 0.000 1.001 262 T CA -0.287 61.441 62.100 -0.619 0.000 0.950 262 T CB 0.121 68.524 68.868 -0.775 0.000 0.955 262 T HN 0.596 nan 8.240 nan 0.000 0.471 263 L N 5.614 126.472 121.223 -0.609 0.000 2.257 263 L HA 0.400 4.741 4.340 0.001 0.000 0.290 263 L C -0.315 176.263 176.870 -0.486 0.000 1.044 263 L CA -0.672 53.843 54.840 -0.542 0.000 0.810 263 L CB 0.305 42.122 42.059 -0.403 0.000 1.193 263 L HN 0.606 nan 8.230 nan 0.000 0.425 264 H N 3.557 122.473 119.070 -0.257 0.000 2.552 264 H HA 0.164 4.721 4.556 0.001 0.000 0.311 264 H C -0.980 174.346 175.328 -0.003 0.000 1.071 264 H CA -0.591 55.395 56.048 -0.102 0.000 1.307 264 H CB 1.575 31.303 29.762 -0.056 0.000 1.416 264 H HN 0.536 nan 8.280 nan 0.000 0.464 265 D N 4.319 124.780 120.400 0.101 0.000 2.441 265 D HA 0.031 4.672 4.640 0.001 0.000 0.221 265 D C 0.774 177.117 176.300 0.072 0.000 1.156 265 D CA -0.380 53.669 54.000 0.082 0.000 0.896 265 D CB 0.388 41.209 40.800 0.035 0.000 1.028 265 D HN 0.400 nan 8.370 nan 0.000 0.509 266 V N 1.783 121.764 119.914 0.112 0.000 3.170 266 V HA 0.131 4.252 4.120 0.001 0.000 0.354 266 V C 1.791 177.910 176.094 0.042 0.000 1.350 266 V CA -0.133 62.195 62.300 0.047 0.000 1.244 266 V CB -0.169 31.719 31.823 0.108 0.000 1.222 266 V HN 0.373 nan 8.190 nan 0.000 0.478 267 T N 1.390 115.971 114.554 0.045 0.000 2.803 267 T HA -0.129 4.221 4.350 0.001 0.000 0.269 267 T C 1.722 176.429 174.700 0.012 0.000 1.052 267 T CA 2.436 64.556 62.100 0.033 0.000 1.136 267 T CB -0.087 68.799 68.868 0.029 0.000 0.864 267 T HN 0.863 nan 8.240 nan 0.000 0.467 268 A N -0.008 122.810 122.820 -0.003 0.000 2.238 268 A HA 0.425 4.746 4.320 0.001 0.000 0.210 268 A C 0.789 178.362 177.584 -0.020 0.000 1.179 268 A CA -0.114 51.915 52.037 -0.013 0.000 0.827 268 A CB -0.062 18.926 19.000 -0.020 0.000 0.856 268 A HN 0.504 nan 8.150 nan 0.000 0.488 269 L N -0.090 121.118 121.223 -0.025 0.000 2.418 269 L HA 0.449 4.790 4.340 0.001 0.000 0.265 269 L C 1.231 178.093 176.870 -0.013 0.000 1.143 269 L CA -0.502 54.316 54.840 -0.036 0.000 0.809 269 L CB 0.680 42.705 42.059 -0.057 0.000 1.124 269 L HN 0.296 nan 8.230 nan 0.000 0.456 270 G N -0.758 108.025 108.800 -0.029 0.000 2.588 270 G HA2 0.104 4.065 3.960 0.001 0.000 0.281 270 G HA3 0.104 4.065 3.960 0.001 0.000 0.281 270 G C 0.956 175.853 174.900 -0.006 0.000 1.236 270 G CA -0.229 44.873 45.100 0.002 0.000 0.969 270 G HN 0.884 nan 8.290 nan 0.000 0.504 271 H N -0.587 118.455 119.070 -0.047 0.000 2.387 271 H HA -0.094 4.463 4.556 0.001 0.000 0.299 271 H C 2.316 177.592 175.328 -0.087 0.000 1.090 271 H CA 1.296 57.303 56.048 -0.069 0.000 1.332 271 H CB -0.564 29.155 29.762 -0.071 0.000 1.386 271 H HN 0.286 nan 8.280 nan 0.000 0.516 272 L N 1.628 122.576 121.223 -0.458 0.000 2.027 272 L HA 0.066 4.407 4.340 0.001 0.000 0.206 272 L C 2.792 179.561 176.870 -0.168 0.000 1.074 272 L CA 1.973 56.638 54.840 -0.291 0.000 0.745 272 L CB -1.171 40.695 42.059 -0.322 0.000 0.898 272 L HN 0.318 nan 8.230 nan 0.000 0.433 273 A N -1.449 121.282 122.820 -0.149 0.000 1.883 273 A HA -0.239 4.082 4.320 0.001 0.000 0.217 273 A C 2.269 179.824 177.584 -0.048 0.000 1.186 273 A CA 2.481 54.467 52.037 -0.087 0.000 0.624 273 A CB -1.311 17.641 19.000 -0.081 0.000 0.822 273 A HN 0.519 nan 8.150 nan 0.000 0.444 274 T N 0.227 114.747 114.554 -0.057 0.000 2.746 274 T HA -0.028 4.323 4.350 0.001 0.000 0.267 274 T C 2.200 176.843 174.700 -0.095 0.000 1.039 274 T CA 1.611 63.689 62.100 -0.037 0.000 1.142 274 T CB -0.456 68.389 68.868 -0.038 0.000 0.866 274 T HN 0.621 nan 8.240 nan 0.000 0.444 275 A N 1.948 124.685 122.820 -0.138 0.000 1.858 275 A HA -0.116 4.205 4.320 0.001 0.000 0.216 275 A C 2.281 179.775 177.584 -0.150 0.000 1.190 275 A CA 1.350 53.269 52.037 -0.196 0.000 0.617 275 A CB -0.391 18.500 19.000 -0.181 0.000 0.827 275 A HN 0.364 nan 8.150 nan 0.000 0.443 276 K N -1.110 119.236 120.400 -0.090 0.000 2.147 276 K HA -0.184 4.137 4.320 0.001 0.000 0.205 276 K C 2.011 178.613 176.600 0.004 0.000 1.049 276 K CA 1.319 57.576 56.287 -0.050 0.000 0.936 276 K CB -0.399 32.078 32.500 -0.039 0.000 0.722 276 K HN 0.756 nan 8.250 nan 0.000 0.446 277 H N 0.909 119.936 119.070 -0.072 0.000 2.357 277 H HA -0.024 4.532 4.556 0.001 0.000 0.301 277 H C 2.086 177.436 175.328 0.037 0.000 1.082 277 H CA 1.266 57.318 56.048 0.007 0.000 1.342 277 H CB 0.139 29.916 29.762 0.026 0.000 1.389 277 H HN 0.090 nan 8.280 nan 0.000 0.511 278 I N 0.531 120.968 120.570 -0.223 0.000 2.226 278 I HA -0.248 3.923 4.170 0.001 0.000 0.245 278 I C 2.852 178.824 176.117 -0.242 0.000 1.100 278 I CA 1.113 62.115 61.300 -0.496 0.000 1.374 278 I CB -0.217 37.299 38.000 -0.808 0.000 1.057 278 I HN 0.122 nan 8.210 nan 0.000 0.413 279 R N 0.850 121.238 120.500 -0.187 0.000 2.091 279 R HA -0.273 4.068 4.340 0.001 0.000 0.238 279 R C 2.297 178.530 176.300 -0.112 0.000 1.136 279 R CA 1.953 57.973 56.100 -0.132 0.000 0.959 279 R CB -1.028 29.209 30.300 -0.105 0.000 0.856 279 R HN 0.459 nan 8.270 nan 0.000 0.437 280 H N -0.908 118.047 119.070 -0.192 0.000 2.457 280 H HA -0.088 4.469 4.556 0.001 0.000 0.297 280 H C 0.982 176.102 175.328 -0.347 0.000 1.092 280 H CA 2.068 57.964 56.048 -0.254 0.000 1.309 280 H CB -0.066 29.516 29.762 -0.299 0.000 1.382 280 H HN 0.395 nan 8.280 nan 0.000 0.535 281 H N -0.817 118.105 119.070 -0.246 0.000 2.526 281 H HA 0.177 4.734 4.556 0.001 0.000 0.274 281 H C 1.095 176.281 175.328 -0.237 0.000 0.999 281 H CA 0.590 56.483 56.048 -0.258 0.000 1.157 281 H CB 0.130 29.758 29.762 -0.223 0.000 1.407 281 H HN 0.598 nan 8.280 nan 0.000 0.568 282 G N 2.058 110.778 108.800 -0.134 0.000 2.338 282 G HA2 -0.259 3.702 3.960 0.001 0.000 0.296 282 G HA3 -0.259 3.702 3.960 0.001 0.000 0.296 282 G C 0.205 175.056 174.900 -0.082 0.000 1.040 282 G CA -0.085 44.953 45.100 -0.104 0.000 1.004 282 G HN 0.211 nan 8.290 nan 0.000 0.509 283 I N 0.571 121.089 120.570 -0.086 0.000 2.618 283 I HA 0.098 4.269 4.170 0.001 0.000 0.284 283 I C 1.033 177.114 176.117 -0.060 0.000 1.146 283 I CA -0.058 61.206 61.300 -0.062 0.000 1.425 283 I CB 0.724 38.696 38.000 -0.046 0.000 1.383 283 I HN 0.225 nan 8.210 nan 0.000 0.562 284 D N 5.519 125.890 120.400 -0.049 0.000 2.369 284 D HA 0.132 4.773 4.640 0.001 0.000 0.231 284 D C 0.448 176.703 176.300 -0.074 0.000 0.967 284 D CA 0.916 54.876 54.000 -0.067 0.000 0.905 284 D CB 0.619 41.362 40.800 -0.096 0.000 1.044 284 D HN 0.319 nan 8.370 nan 0.000 0.487 285 L N 1.877 123.074 121.223 -0.044 0.000 2.316 285 L HA 0.399 4.740 4.340 0.001 0.000 0.280 285 L C -0.907 176.001 176.870 0.063 0.000 1.006 285 L CA -0.727 54.099 54.840 -0.022 0.000 0.836 285 L CB 2.171 44.244 42.059 0.024 0.000 1.221 285 L HN -0.106 nan 8.230 nan 0.000 0.418 286 L N 3.580 124.814 121.223 0.019 0.000 2.296 286 L HA 0.603 4.944 4.340 0.001 0.000 0.286 286 L C -1.021 175.953 176.870 0.173 0.000 1.023 286 L CA 0.133 55.041 54.840 0.113 0.000 0.812 286 L CB 1.147 43.226 42.059 0.034 0.000 1.223 286 L HN 0.178 nan 8.230 nan 0.000 0.421 287 F N 2.640 122.635 119.950 0.074 0.000 2.443 287 F HA 0.336 4.864 4.527 0.001 0.000 0.335 287 F C 0.215 176.256 175.800 0.402 0.000 1.104 287 F CA -0.702 57.440 58.000 0.237 0.000 1.013 287 F CB 1.293 40.434 39.000 0.236 0.000 1.136 287 F HN 0.421 nan 8.300 nan 0.000 0.470 288 D N 3.459 124.045 120.400 0.310 0.000 2.411 288 D HA 0.223 4.864 4.640 0.001 0.000 0.225 288 D C -0.113 176.280 176.300 0.155 0.000 1.156 288 D CA -0.079 53.884 54.000 -0.061 0.000 0.874 288 D CB 0.634 40.910 40.800 -0.874 0.000 1.034 288 D HN 0.311 nan 8.370 nan 0.000 0.502 289 L N 3.212 124.593 121.223 0.264 0.000 2.783 289 L HA 0.387 4.728 4.340 0.001 0.000 0.236 289 L C 1.272 178.162 176.870 0.034 0.000 1.225 289 L CA 0.098 55.049 54.840 0.184 0.000 1.026 289 L CB 0.128 42.332 42.059 0.242 0.000 1.314 289 L HN 0.531 nan 8.230 nan 0.000 0.489 290 A N -1.981 120.840 122.820 0.001 0.000 1.964 290 A HA 0.658 4.979 4.320 0.001 0.000 0.198 290 A C 1.336 178.899 177.584 -0.034 0.000 1.599 290 A CA 0.538 52.552 52.037 -0.037 0.000 0.968 290 A CB -0.486 18.488 19.000 -0.043 0.000 1.029 290 A HN 0.377 nan 8.150 nan 0.000 0.508 291 G N -1.123 107.594 108.800 -0.138 0.000 2.682 291 G HA2 -0.264 3.697 3.960 0.001 0.000 0.256 291 G HA3 -0.264 3.697 3.960 0.001 0.000 0.256 291 G C -0.237 174.500 174.900 -0.271 0.000 1.333 291 G CA -0.014 44.954 45.100 -0.219 0.000 0.904 291 G HN 0.757 nan 8.290 nan 0.000 0.569 292 W N 0.938 122.129 121.300 -0.181 0.000 2.210 292 W HA 0.464 5.125 4.660 0.001 0.000 0.330 292 W C 1.009 177.532 176.519 0.007 0.000 1.334 292 W CA 1.244 58.500 57.345 -0.149 0.000 1.227 292 W CB 0.511 29.741 29.460 -0.382 0.000 1.178 292 W HN 1.908 nan 8.180 nan 0.000 0.560 293 G N 1.301 110.256 108.800 0.258 0.000 2.731 293 G HA2 0.338 4.299 3.960 0.001 0.000 0.686 293 G HA3 0.338 4.299 3.960 0.001 0.000 0.686 293 G C 0.255 175.101 174.900 -0.090 0.000 1.395 293 G CA -0.393 44.735 45.100 0.047 0.000 0.870 293 G HN 1.826 nan 8.290 nan 0.000 0.591 294 G N -0.241 108.500 108.800 -0.098 0.000 2.368 294 G HA2 0.433 4.394 3.960 0.001 0.000 0.290 294 G HA3 0.433 4.394 3.960 0.001 0.000 0.290 294 G C 1.774 176.664 174.900 -0.017 0.000 1.098 294 G CA 0.614 45.681 45.100 -0.055 0.000 1.073 294 G HN 3.224 nan 8.290 nan 0.000 0.511 295 G N -0.004 108.800 108.800 0.007 0.000 4.610 295 G HA2 0.153 4.113 3.960 0.001 0.000 0.323 295 G HA3 0.153 4.113 3.960 0.001 0.000 0.323 295 G C 1.796 176.703 174.900 0.012 0.000 1.377 295 G CA 2.663 47.770 45.100 0.010 0.000 1.023 295 G HN 2.682 nan 8.290 nan 0.000 0.755 296 G N 0.006 108.802 108.800 -0.007 0.000 3.163 296 G HA2 -0.292 3.669 3.960 0.001 0.000 0.227 296 G HA3 -0.292 3.669 3.960 0.001 0.000 0.227 296 G C 0.669 175.586 174.900 0.029 0.000 1.300 296 G CA 1.447 46.539 45.100 -0.014 0.000 0.867 296 G HN 2.069 nan 8.290 nan 0.000 0.533 297 R N -0.893 119.621 120.500 0.023 0.000 2.983 297 R HA -0.151 4.190 4.340 0.001 0.000 0.272 297 R C -1.355 174.961 176.300 0.028 0.000 0.926 297 R CA 0.930 57.048 56.100 0.029 0.000 0.667 297 R CB -1.495 28.842 30.300 0.061 0.000 1.540 297 R HN 0.576 nan 8.270 nan 0.000 0.467 298 P HA -0.128 nan 4.420 nan 0.000 0.217 298 P C 0.791 177.989 177.300 -0.171 0.000 1.151 298 P CA 1.165 64.205 63.100 -0.100 0.000 0.828 298 P CB 0.281 31.948 31.700 -0.056 0.000 0.788 299 E N 0.066 120.164 120.200 -0.171 0.000 2.118 299 E HA -0.115 4.235 4.350 0.001 0.000 0.195 299 E C 2.134 178.615 176.600 -0.197 0.000 0.992 299 E CA 0.864 57.131 56.400 -0.221 0.000 0.804 299 E CB -1.384 28.191 29.700 -0.207 0.000 0.741 299 E HN 0.007 nan 8.360 nan 0.000 0.458 300 V N 0.228 120.077 119.914 -0.108 0.000 2.380 300 V HA -0.273 3.848 4.120 0.001 0.000 0.251 300 V C 1.750 177.617 176.094 -0.379 0.000 1.063 300 V CA 1.765 63.950 62.300 -0.192 0.000 1.055 300 V CB -0.485 31.229 31.823 -0.183 0.000 0.657 300 V HN 0.243 nan 8.190 nan 0.000 0.455 301 F N -0.013 119.722 119.950 -0.358 0.000 2.416 301 F HA 0.139 4.667 4.527 0.002 0.000 0.296 301 F C 2.309 177.596 175.800 -0.856 0.000 1.099 301 F CA 0.878 58.617 58.000 -0.435 0.000 1.427 301 F CB -0.515 38.345 39.000 -0.232 0.000 1.079 301 F HN 0.066 nan 8.300 nan 0.000 0.536 302 A N -0.133 122.055 122.820 -1.054 0.000 1.969 302 A HA -0.104 4.217 4.320 0.001 0.000 0.218 302 A C 1.958 179.290 177.584 -0.421 0.000 1.169 302 A CA 1.001 52.363 52.037 -1.125 0.000 0.635 302 A CB -0.731 17.656 19.000 -1.022 0.000 0.810 302 A HN 0.225 nan 8.150 nan 0.000 0.445 303 L N -0.644 120.389 121.223 -0.317 0.000 2.642 303 L HA -0.017 4.324 4.340 0.001 0.000 0.236 303 L C 0.642 177.421 176.870 -0.153 0.000 1.169 303 L CA 1.059 55.786 54.840 -0.187 0.000 0.851 303 L CB -1.648 40.310 42.059 -0.169 0.000 0.968 303 L HN 0.485 nan 8.230 nan 0.000 0.453 304 R N -0.567 119.841 120.500 -0.155 0.000 3.158 304 R HA -0.177 4.164 4.340 0.001 0.000 0.244 304 R C -1.446 174.785 176.300 -0.114 0.000 0.900 304 R CA 0.337 56.388 56.100 -0.081 0.000 0.618 304 R CB -1.119 29.175 30.300 -0.010 0.000 1.061 304 R HN 0.358 nan 8.270 nan 0.000 0.471 305 P HA -0.041 nan 4.420 nan 0.000 0.233 305 P C -0.064 177.137 177.300 -0.164 0.000 1.167 305 P CA 1.230 64.215 63.100 -0.192 0.000 0.770 305 P CB 0.554 32.085 31.700 -0.282 0.000 0.837 306 A N 0.817 123.554 122.820 -0.138 0.000 2.393 306 A HA 0.563 4.884 4.320 0.001 0.000 0.306 306 A C -1.808 175.737 177.584 -0.065 0.000 1.050 306 A CA -1.705 50.270 52.037 -0.104 0.000 0.724 306 A CB 1.209 20.143 19.000 -0.111 0.000 1.248 306 A HN -0.196 nan 8.150 nan 0.000 0.424 307 P HA -0.101 nan 4.420 nan 0.000 0.216 307 P C 0.328 177.576 177.300 -0.087 0.000 1.153 307 P CA 1.457 64.526 63.100 -0.051 0.000 0.858 307 P CB 0.107 31.784 31.700 -0.038 0.000 0.789 308 V N 1.103 120.944 119.914 -0.120 0.000 2.407 308 V HA 0.259 4.380 4.120 0.001 0.000 0.291 308 V C -0.079 175.969 176.094 -0.076 0.000 1.018 308 V CA -0.465 61.746 62.300 -0.148 0.000 0.842 308 V CB 1.549 33.212 31.823 -0.268 0.000 0.996 308 V HN 0.010 nan 8.190 nan 0.000 0.426 309 Q N 3.371 123.160 119.800 -0.018 0.000 2.322 309 Q HA 0.712 5.053 4.340 0.001 0.000 0.265 309 Q C -1.210 174.769 176.000 -0.035 0.000 0.985 309 Q CA -0.624 55.202 55.803 0.038 0.000 0.849 309 Q CB 2.864 31.732 28.738 0.217 0.000 1.274 309 Q HN 0.596 nan 8.270 nan 0.000 0.449 310 V N 2.218 122.003 119.914 -0.214 0.000 2.555 310 V HA 0.338 4.459 4.120 0.001 0.000 0.302 310 V C -0.428 175.608 176.094 -0.097 0.000 1.038 310 V CA -1.004 61.116 62.300 -0.300 0.000 0.887 310 V CB 1.840 33.066 31.823 -0.994 0.000 0.991 310 V HN 0.671 nan 8.190 nan 0.000 0.434 311 N N 3.090 121.821 118.700 0.052 0.000 2.422 311 N HA 0.453 5.194 4.740 0.001 0.000 0.266 311 N C -1.475 174.269 175.510 0.389 0.000 1.007 311 N CA -0.371 52.771 53.050 0.154 0.000 0.941 311 N CB 1.063 39.612 38.487 0.103 0.000 1.115 311 N HN 0.748 nan 8.380 nan 0.000 0.492 312 W N 5.477 126.935 121.300 0.263 0.000 3.624 312 W HA 0.360 5.020 4.660 0.001 0.000 0.312 312 W C -0.641 176.113 176.519 0.392 0.000 1.203 312 W CA -0.884 56.689 57.345 0.380 0.000 1.225 312 W CB 0.260 30.090 29.460 0.617 0.000 1.321 312 W HN 0.441 nan 8.180 nan 0.000 0.506 313 L N 3.558 124.824 121.223 0.072 0.000 4.137 313 L HA -0.307 4.034 4.340 0.001 0.000 0.421 313 L C 0.760 177.631 176.870 0.001 0.000 1.162 313 L CA 2.681 57.427 54.840 -0.155 0.000 0.978 313 L CB -1.728 39.730 42.059 -1.000 0.000 1.957 313 L HN 0.770 nan 8.230 nan 0.000 0.978 314 A N -1.506 121.402 122.820 0.147 0.000 2.042 314 A HA 0.269 4.589 4.320 0.001 0.000 0.207 314 A C 0.447 178.223 177.584 0.320 0.000 1.598 314 A CA 0.551 52.703 52.037 0.193 0.000 0.818 314 A CB -0.118 18.963 19.000 0.136 0.000 1.169 314 A HN 0.394 nan 8.150 nan 0.000 0.548 315 Y N 3.162 123.579 120.300 0.195 0.000 2.383 315 Y HA 0.479 5.030 4.550 0.001 0.000 0.344 315 Y C -2.248 173.805 175.900 0.255 0.000 0.986 315 Y CA -2.754 55.508 58.100 0.270 0.000 1.175 315 Y CB 1.294 39.894 38.460 0.232 0.000 1.152 315 Y HN 0.147 nan 8.280 nan 0.000 0.511 316 P HA 0.241 nan 4.420 nan 0.000 0.228 316 P C -0.201 176.939 177.300 -0.267 0.000 1.748 316 P CA 0.538 63.655 63.100 0.028 0.000 0.909 316 P CB -0.123 31.836 31.700 0.431 0.000 1.882 317 G N -1.061 107.469 108.800 -0.450 0.000 2.606 317 G HA2 0.336 4.297 3.960 0.001 0.000 0.300 317 G HA3 0.336 4.297 3.960 0.001 0.000 0.300 317 G C -1.450 173.520 174.900 0.117 0.000 1.360 317 G CA -0.391 44.567 45.100 -0.237 0.000 0.783 317 G HN 0.045 nan 8.290 nan 0.000 0.484 318 T N -0.671 113.792 114.554 -0.151 0.000 2.884 318 T HA 0.391 4.742 4.350 0.001 0.000 0.298 318 T C 1.889 176.715 174.700 0.210 0.000 0.998 318 T CA 0.800 62.831 62.100 -0.115 0.000 1.124 318 T CB 0.837 69.448 68.868 -0.428 0.000 0.931 318 T HN 1.286 nan 8.240 nan 0.000 0.531 319 S N 3.383 119.181 115.700 0.163 0.000 2.428 319 S HA 0.144 4.614 4.470 0.001 0.000 0.230 319 S C 1.888 176.553 174.600 0.108 0.000 1.014 319 S CA 0.791 59.071 58.200 0.133 0.000 0.957 319 S CB -0.866 62.284 63.200 -0.083 0.000 0.784 319 S HN 1.781 nan 8.310 nan 0.000 0.499 320 G N 1.228 110.021 108.800 -0.012 0.000 2.283 320 G HA2 -0.047 3.914 3.960 0.001 0.000 0.280 320 G HA3 -0.047 3.914 3.960 0.001 0.000 0.280 320 G C 0.097 174.893 174.900 -0.174 0.000 1.029 320 G CA 0.295 45.353 45.100 -0.069 0.000 0.840 320 G HN 1.345 nan 8.290 nan 0.000 0.505 321 A N -0.643 121.968 122.820 -0.348 0.000 2.337 321 A HA 0.874 5.195 4.320 0.001 0.000 0.329 321 A C -0.734 176.475 177.584 -0.625 0.000 1.146 321 A CA -1.247 50.331 52.037 -0.764 0.000 0.800 321 A CB 1.426 19.425 19.000 -1.668 0.000 1.220 321 A HN 0.010 nan 8.150 nan 0.000 0.472 322 P HA -0.098 nan 4.420 nan 0.000 0.220 322 P C 0.796 178.078 177.300 -0.030 0.000 1.148 322 P CA 1.316 64.334 63.100 -0.137 0.000 0.803 322 P CB 0.018 31.734 31.700 0.028 0.000 0.782 323 W N -3.299 118.015 121.300 0.024 0.000 3.290 323 W HA 0.460 5.121 4.660 0.002 0.000 0.287 323 W C 0.166 176.691 176.519 0.009 0.000 1.288 323 W CA -0.330 57.027 57.345 0.020 0.000 1.725 323 W CB -0.929 28.559 29.460 0.048 0.000 1.103 323 W HN -0.240 nan 8.180 nan 0.000 0.670 324 M N 2.891 122.372 119.600 -0.198 0.000 2.088 324 M HA 0.201 4.681 4.480 0.001 0.000 0.346 324 M C 0.718 176.938 176.300 -0.133 0.000 1.111 324 M CA -0.338 54.892 55.300 -0.118 0.000 1.017 324 M CB 0.887 33.338 32.600 -0.248 0.000 1.568 324 M HN -0.005 nan 8.290 nan 0.000 0.445 325 D N 3.521 123.837 120.400 -0.140 0.000 2.149 325 D HA -0.019 4.622 4.640 0.001 0.000 0.206 325 D C -0.392 175.571 176.300 -0.561 0.000 0.967 325 D CA 1.515 55.285 54.000 -0.383 0.000 0.848 325 D CB 0.211 40.744 40.800 -0.444 0.000 0.998 325 D HN 0.482 nan 8.370 nan 0.000 0.474 326 Y N -0.600 119.693 120.300 -0.012 0.000 2.605 326 Y HA 0.412 4.963 4.550 0.001 0.000 0.343 326 Y C -0.149 175.751 175.900 -0.000 0.000 1.036 326 Y CA -1.332 56.779 58.100 0.018 0.000 1.065 326 Y CB 1.944 40.407 38.460 0.005 0.000 1.288 326 Y HN -0.339 nan 8.280 nan 0.000 0.481 327 V N 0.752 120.782 119.914 0.192 0.000 2.735 327 V HA 0.645 4.766 4.120 0.001 0.000 0.310 327 V C -1.404 174.748 176.094 0.096 0.000 1.061 327 V CA -0.997 61.372 62.300 0.115 0.000 0.913 327 V CB 1.960 33.778 31.823 -0.009 0.000 1.005 327 V HN 0.564 nan 8.190 nan 0.000 0.428 328 L N 3.981 125.314 121.223 0.182 0.000 2.295 328 L HA 0.948 5.288 4.340 0.001 0.000 0.281 328 L C 0.289 177.321 176.870 0.269 0.000 1.018 328 L CA 0.607 55.551 54.840 0.174 0.000 0.841 328 L CB 0.507 42.615 42.059 0.082 0.000 1.218 328 L HN 1.004 nan 8.230 nan 0.000 0.424 329 G N 3.212 112.087 108.800 0.125 0.000 3.211 329 G HA2 0.668 4.629 3.960 0.001 0.000 0.167 329 G HA3 0.668 4.629 3.960 0.001 0.000 0.167 329 G C -1.439 173.603 174.900 0.236 0.000 1.212 329 G CA 0.009 45.202 45.100 0.155 0.000 0.928 329 G HN 0.667 nan 8.290 nan 0.000 0.607 330 D N -3.284 117.246 120.400 0.217 0.000 2.596 330 D HA 0.531 5.172 4.640 0.001 0.000 0.262 330 D C 0.885 177.309 176.300 0.205 0.000 1.210 330 D CA 0.098 54.226 54.000 0.214 0.000 0.873 330 D CB 1.157 42.105 40.800 0.248 0.000 1.408 330 D HN 0.610 nan 8.370 nan 0.000 0.441 331 A N -0.151 122.802 122.820 0.222 0.000 2.032 331 A HA -0.081 4.239 4.320 0.001 0.000 0.221 331 A C 1.633 179.361 177.584 0.239 0.000 1.165 331 A CA 1.342 53.497 52.037 0.196 0.000 0.645 331 A CB -0.946 18.165 19.000 0.184 0.000 0.807 331 A HN 0.536 nan 8.150 nan 0.000 0.453 332 F N -0.293 119.784 119.950 0.211 0.000 2.243 332 F HA 0.285 4.813 4.527 0.002 0.000 0.287 332 F C 2.509 178.376 175.800 0.111 0.000 1.067 332 F CA 0.985 59.108 58.000 0.205 0.000 1.304 332 F CB -0.293 38.891 39.000 0.307 0.000 1.087 332 F HN 0.193 nan 8.300 nan 0.000 0.513 333 A N -0.124 122.872 122.820 0.294 0.000 1.969 333 A HA -0.004 4.316 4.320 0.001 0.000 0.218 333 A C 1.224 178.830 177.584 0.036 0.000 1.169 333 A CA 1.070 53.079 52.037 -0.047 0.000 0.635 333 A CB -0.623 18.084 19.000 -0.490 0.000 0.810 333 A HN 0.376 nan 8.150 nan 0.000 0.445 334 L N 1.165 122.475 121.223 0.144 0.000 2.637 334 L HA 0.283 4.624 4.340 0.001 0.000 0.241 334 L C -2.610 174.285 176.870 0.042 0.000 1.398 334 L CA -2.317 52.602 54.840 0.131 0.000 0.895 334 L CB 1.781 43.847 42.059 0.010 0.000 1.183 334 L HN 0.112 nan 8.230 nan 0.000 0.497 335 P HA 0.206 nan 4.420 nan 0.000 0.272 335 P C -2.349 174.959 177.300 0.013 0.000 1.240 335 P CA -1.187 61.914 63.100 0.002 0.000 0.791 335 P CB 0.493 32.161 31.700 -0.054 0.000 0.978 336 P HA -0.212 nan 4.420 nan 0.000 0.216 336 P C 1.516 178.817 177.300 0.001 0.000 1.154 336 P CA 2.450 65.547 63.100 -0.005 0.000 0.865 336 P CB -0.594 31.102 31.700 -0.007 0.000 0.789 337 A N -1.850 120.980 122.820 0.016 0.000 2.125 337 A HA -0.139 4.182 4.320 0.001 0.000 0.219 337 A C 2.008 179.651 177.584 0.097 0.000 1.156 337 A CA 1.266 53.324 52.037 0.035 0.000 0.671 337 A CB -1.259 17.767 19.000 0.043 0.000 0.794 337 A HN 0.166 nan 8.150 nan 0.000 0.459 338 L N -1.196 120.112 121.223 0.140 0.000 2.515 338 L HA 0.170 4.511 4.340 0.001 0.000 0.223 338 L C 1.914 178.956 176.870 0.287 0.000 1.079 338 L CA 0.829 55.861 54.840 0.320 0.000 0.857 338 L CB -0.205 42.050 42.059 0.327 0.000 1.050 338 L HN 0.392 nan 8.230 nan 0.000 0.476 339 E N 0.210 120.476 120.200 0.111 0.000 2.147 339 E HA -0.252 4.099 4.350 0.001 0.000 0.199 339 E C -0.687 175.931 176.600 0.030 0.000 1.005 339 E CA 1.660 58.099 56.400 0.064 0.000 0.810 339 E CB -0.899 28.779 29.700 -0.037 0.000 0.736 339 E HN 0.468 nan 8.360 nan 0.000 0.460 340 P HA -0.154 nan 4.420 nan 0.000 0.218 340 P C 0.718 177.839 177.300 -0.298 0.000 1.148 340 P CA 1.127 64.035 63.100 -0.320 0.000 0.822 340 P CB -0.063 31.290 31.700 -0.579 0.000 0.784 341 F N -3.479 116.513 119.950 0.070 0.000 2.661 341 F HA 0.050 4.577 4.527 0.001 0.000 0.298 341 F C 0.851 176.596 175.800 -0.092 0.000 1.137 341 F CA 0.057 58.048 58.000 -0.014 0.000 1.454 341 F CB -1.238 37.733 39.000 -0.047 0.000 1.103 341 F HN -0.101 nan 8.300 nan 0.000 0.577 342 Y N 0.407 120.771 120.300 0.106 0.000 2.383 342 Y HA 0.144 4.695 4.550 0.001 0.000 0.344 342 Y C 1.791 177.697 175.900 0.010 0.000 0.986 342 Y CA -0.571 57.562 58.100 0.054 0.000 1.175 342 Y CB 1.142 39.613 38.460 0.019 0.000 1.152 342 Y HN -0.028 nan 8.280 nan 0.000 0.511 343 S N 1.176 116.926 115.700 0.085 0.000 2.399 343 S HA -0.116 4.355 4.470 0.001 0.000 0.231 343 S C 0.532 175.148 174.600 0.027 0.000 1.022 343 S CA 0.688 58.903 58.200 0.026 0.000 0.983 343 S CB -0.327 62.855 63.200 -0.031 0.000 0.803 343 S HN 0.709 nan 8.310 nan 0.000 0.480 344 E N 1.539 121.778 120.200 0.064 0.000 2.314 344 E HA 0.121 4.472 4.350 0.001 0.000 0.262 344 E C -0.437 176.205 176.600 0.069 0.000 1.093 344 E CA -0.752 55.662 56.400 0.024 0.000 0.908 344 E CB 0.129 29.840 29.700 0.019 0.000 1.091 344 E HN 0.473 nan 8.360 nan 0.000 0.425 345 H N 1.394 120.428 119.070 -0.060 0.000 2.848 345 H HA 0.115 4.672 4.556 0.002 0.000 0.317 345 H C -0.631 174.793 175.328 0.161 0.000 1.046 345 H CA -0.291 55.789 56.048 0.053 0.000 1.470 345 H CB 0.678 30.477 29.762 0.061 0.000 1.483 345 H HN 0.165 nan 8.280 nan 0.000 0.548 346 V N 7.834 127.571 119.914 -0.294 0.000 2.508 346 V HA 0.087 4.208 4.120 0.001 0.000 0.281 346 V C 0.640 176.669 176.094 -0.109 0.000 1.041 346 V CA -0.149 62.033 62.300 -0.197 0.000 1.016 346 V CB 0.756 32.427 31.823 -0.254 0.000 0.984 346 V HN 0.533 nan 8.190 nan 0.000 0.478 347 L N 6.244 127.467 121.223 -0.000 0.000 2.346 347 L HA 0.708 5.049 4.340 0.001 0.000 0.274 347 L C -0.078 176.791 176.870 -0.002 0.000 1.007 347 L CA -0.745 54.101 54.840 0.011 0.000 0.818 347 L CB 2.134 44.187 42.059 -0.010 0.000 1.284 347 L HN 0.566 nan 8.230 nan 0.000 0.424 348 R N 2.423 122.923 120.500 -0.001 0.000 2.744 348 R HA 0.666 5.007 4.340 0.001 0.000 0.279 348 R C -1.210 175.091 176.300 0.001 0.000 0.977 348 R CA -0.916 55.199 56.100 0.024 0.000 0.906 348 R CB 2.650 32.971 30.300 0.035 0.000 1.197 348 R HN 0.452 nan 8.270 nan 0.000 0.463 349 L N 1.935 123.159 121.223 0.002 0.000 2.416 349 L HA 0.232 4.573 4.340 0.001 0.000 0.262 349 L C 1.667 178.500 176.870 -0.062 0.000 1.093 349 L CA -0.324 54.467 54.840 -0.082 0.000 0.801 349 L CB 1.135 43.082 42.059 -0.186 0.000 1.191 349 L HN 0.608 nan 8.230 nan 0.000 0.459 350 Q N 0.874 120.620 119.800 -0.090 0.000 2.061 350 Q HA -0.113 4.228 4.340 0.001 0.000 0.204 350 Q C 1.078 177.071 176.000 -0.011 0.000 0.984 350 Q CA 1.666 57.446 55.803 -0.039 0.000 0.846 350 Q CB -0.120 28.589 28.738 -0.049 0.000 0.902 350 Q HN 0.890 nan 8.270 nan 0.000 0.421 351 G N -0.147 108.592 108.800 -0.102 0.000 2.773 351 G HA2 0.536 4.497 3.960 0.001 0.000 0.186 351 G HA3 0.536 4.497 3.960 0.001 0.000 0.186 351 G C -0.738 173.857 174.900 -0.508 0.000 1.411 351 G CA -0.089 44.929 45.100 -0.137 0.000 1.054 351 G HN 0.374 nan 8.290 nan 0.000 0.579 352 A N -0.912 121.427 122.820 -0.802 0.000 2.425 352 A HA 0.450 4.771 4.320 0.001 0.000 0.242 352 A C 0.834 178.386 177.584 -0.054 0.000 1.077 352 A CA 0.154 51.791 52.037 -0.667 0.000 0.781 352 A CB 0.016 18.739 19.000 -0.461 0.000 1.020 352 A HN 1.099 nan 8.150 nan 0.000 0.494 353 F N -0.223 119.754 119.950 0.045 0.000 2.456 353 F HA 0.108 4.636 4.527 0.002 0.000 0.298 353 F C 0.915 177.050 175.800 0.559 0.000 1.104 353 F CA 0.717 58.916 58.000 0.332 0.000 1.435 353 F CB -0.337 38.919 39.000 0.425 0.000 1.078 353 F HN 0.580 nan 8.300 nan 0.000 0.546 354 Q N 4.001 123.374 119.800 -0.712 0.000 2.303 354 Q HA 0.318 4.659 4.340 0.001 0.000 0.257 354 Q C -2.494 173.302 176.000 -0.341 0.000 0.941 354 Q CA -2.540 52.840 55.803 -0.706 0.000 0.931 354 Q CB 1.474 29.592 28.738 -1.033 0.000 1.215 354 Q HN 0.087 nan 8.270 nan 0.000 0.437 355 P HA 0.252 nan 4.420 nan 0.000 0.297 355 P C -1.116 175.895 177.300 -0.482 0.000 1.307 355 P CA -0.435 62.162 63.100 -0.839 0.000 0.773 355 P CB 1.557 32.484 31.700 -1.288 0.000 1.265 356 S N -1.242 114.207 115.700 -0.419 0.000 2.565 356 S HA 0.240 4.710 4.470 0.001 0.000 0.269 356 S C -1.566 172.804 174.600 -0.383 0.000 1.153 356 S CA -0.679 57.339 58.200 -0.304 0.000 0.835 356 S CB 1.107 64.249 63.200 -0.097 0.000 1.122 356 S HN 0.370 nan 8.310 nan 0.000 0.462 357 D N 2.160 122.315 120.400 -0.407 0.000 2.435 357 D HA 0.231 4.871 4.640 0.001 0.000 0.230 357 D C 1.409 177.293 176.300 -0.693 0.000 1.215 357 D CA 0.044 53.792 54.000 -0.421 0.000 0.947 357 D CB 0.702 41.324 40.800 -0.296 0.000 1.048 357 D HN 0.626 nan 8.370 nan 0.000 0.512 358 T N -0.649 113.505 114.554 -0.666 0.000 3.252 358 T HA -0.051 4.300 4.350 0.001 0.000 0.250 358 T C 1.410 175.883 174.700 -0.378 0.000 1.123 358 T CA 0.336 61.884 62.100 -0.920 0.000 1.006 358 T CB -0.188 68.388 68.868 -0.487 0.000 0.992 358 T HN 0.210 nan 8.240 nan 0.000 0.547 359 S N -0.040 115.510 115.700 -0.250 0.000 2.540 359 S HA 0.261 4.732 4.470 0.001 0.000 0.218 359 S C 0.709 175.326 174.600 0.029 0.000 0.977 359 S CA -0.869 57.298 58.200 -0.055 0.000 0.918 359 S CB -0.226 62.932 63.200 -0.069 0.000 0.806 359 S HN 0.416 nan 8.310 nan 0.000 0.496 360 R N 1.700 122.211 120.500 0.018 0.000 2.351 360 R HA 0.370 4.711 4.340 0.001 0.000 0.318 360 R C -0.931 175.557 176.300 0.313 0.000 1.055 360 R CA -0.196 55.998 56.100 0.156 0.000 0.968 360 R CB 0.846 31.227 30.300 0.134 0.000 0.974 360 R HN 0.176 nan 8.270 nan 0.000 0.439 361 V N 4.711 124.726 119.914 0.168 0.000 2.498 361 V HA 0.107 4.228 4.120 0.001 0.000 0.279 361 V C 0.330 176.471 176.094 0.080 0.000 1.048 361 V CA -0.575 61.791 62.300 0.110 0.000 0.967 361 V CB 1.668 33.525 31.823 0.057 0.000 0.988 361 V HN 0.442 nan 8.190 nan 0.000 0.473 362 V N 5.535 125.462 119.914 0.022 0.000 2.320 362 V HA 0.497 4.618 4.120 0.001 0.000 0.265 362 V C 0.828 176.902 176.094 -0.034 0.000 1.048 362 V CA -0.286 62.004 62.300 -0.016 0.000 0.865 362 V CB 0.701 32.476 31.823 -0.080 0.000 1.043 362 V HN 1.032 nan 8.190 nan 0.000 0.474 363 A N 5.090 127.897 122.820 -0.021 0.000 2.346 363 A HA 0.406 4.727 4.320 0.001 0.000 0.255 363 A C 0.464 178.024 177.584 -0.040 0.000 1.113 363 A CA -0.338 51.685 52.037 -0.023 0.000 0.798 363 A CB 0.226 19.221 19.000 -0.010 0.000 1.073 363 A HN 0.683 nan 8.150 nan 0.000 0.502 364 E N 1.179 121.358 120.200 -0.034 0.000 2.259 364 E HA 0.339 4.690 4.350 0.001 0.000 0.281 364 E C -2.047 174.529 176.600 -0.039 0.000 1.027 364 E CA -1.405 54.967 56.400 -0.048 0.000 0.838 364 E CB 0.742 30.425 29.700 -0.029 0.000 1.066 364 E HN 0.486 nan 8.360 nan 0.000 0.401 365 P HA 0.367 nan 4.420 nan 0.000 0.279 365 P C -2.526 174.823 177.300 0.082 0.000 1.276 365 P CA -1.450 61.643 63.100 -0.011 0.000 0.801 365 P CB -0.076 31.578 31.700 -0.076 0.000 1.127 366 P HA 0.076 nan 4.420 nan 0.000 0.275 366 P C 0.141 177.599 177.300 0.262 0.000 1.266 366 P CA -0.194 62.996 63.100 0.149 0.000 0.793 366 P CB 0.052 31.822 31.700 0.117 0.000 1.074 367 S N 0.457 116.247 115.700 0.149 0.000 2.572 367 S HA 0.017 4.488 4.470 0.001 0.000 0.267 367 S C 1.309 175.864 174.600 -0.075 0.000 1.361 367 S CA -0.215 58.042 58.200 0.095 0.000 1.009 367 S CB 0.268 63.478 63.200 0.016 0.000 0.888 367 S HN 0.287 nan 8.310 nan 0.000 0.553 368 R N 0.739 121.016 120.500 -0.372 0.000 2.091 368 R HA -0.094 4.247 4.340 0.001 0.000 0.238 368 R C 2.328 178.443 176.300 -0.308 0.000 1.136 368 R CA 1.835 57.578 56.100 -0.594 0.000 0.959 368 R CB -1.782 28.199 30.300 -0.532 0.000 0.856 368 R HN 0.770 nan 8.270 nan 0.000 0.437 369 T N 1.929 116.374 114.554 -0.183 0.000 2.708 369 T HA -0.167 4.184 4.350 0.001 0.000 0.266 369 T C 1.820 176.474 174.700 -0.076 0.000 1.037 369 T CA 1.344 63.374 62.100 -0.117 0.000 1.146 369 T CB -0.164 68.659 68.868 -0.075 0.000 0.865 369 T HN 0.375 nan 8.240 nan 0.000 0.435 370 Q N -0.468 119.308 119.800 -0.040 0.000 2.500 370 Q HA -0.005 4.336 4.340 0.001 0.000 0.213 370 Q C 1.559 177.574 176.000 0.025 0.000 0.974 370 Q CA 0.545 56.350 55.803 0.004 0.000 0.918 370 Q CB -0.209 28.547 28.738 0.030 0.000 0.980 370 Q HN 0.484 nan 8.270 nan 0.000 0.505 371 C N -0.268 119.024 119.300 -0.013 0.000 2.780 371 C HA 0.305 4.765 4.460 0.001 0.000 0.287 371 C C 1.409 176.365 174.990 -0.058 0.000 1.288 371 C CA 0.101 59.142 59.018 0.038 0.000 1.713 371 C CB -0.650 27.120 27.740 0.051 0.000 1.955 371 C HN 0.722 nan 8.230 nan 0.000 0.613 372 G N 1.004 109.756 108.800 -0.079 0.000 2.179 372 G HA2 -0.222 3.739 3.960 0.001 0.000 0.257 372 G HA3 -0.222 3.739 3.960 0.001 0.000 0.257 372 G C -0.342 174.437 174.900 -0.202 0.000 1.010 372 G CA 0.062 45.108 45.100 -0.090 0.000 0.736 372 G HN 0.400 nan 8.290 nan 0.000 0.513 373 L N 1.474 122.511 121.223 -0.310 0.000 2.317 373 L HA 0.561 4.902 4.340 0.001 0.000 0.281 373 L C -1.577 175.129 176.870 -0.274 0.000 1.024 373 L CA -2.886 51.717 54.840 -0.396 0.000 0.810 373 L CB 1.295 42.973 42.059 -0.635 0.000 1.240 373 L HN -0.057 nan 8.230 nan 0.000 0.427 374 P HA 0.026 nan 4.420 nan 0.000 0.264 374 P C 0.143 177.341 177.300 -0.170 0.000 1.193 374 P CA -0.119 62.887 63.100 -0.156 0.000 0.763 374 P CB 0.876 32.501 31.700 -0.125 0.000 0.810 375 E N 0.990 121.107 120.200 -0.138 0.000 2.333 375 E HA -0.119 4.232 4.350 0.001 0.000 0.198 375 E C 0.473 177.009 176.600 -0.107 0.000 1.007 375 E CA 1.219 57.540 56.400 -0.131 0.000 0.845 375 E CB 0.274 29.916 29.700 -0.096 0.000 0.766 375 E HN 0.531 nan 8.360 nan 0.000 0.507 376 Q N -0.574 119.169 119.800 -0.095 0.000 2.365 376 Q HA 0.562 4.902 4.340 0.001 0.000 0.269 376 Q C 0.009 175.962 176.000 -0.078 0.000 1.061 376 Q CA -0.301 55.456 55.803 -0.076 0.000 0.816 376 Q CB 2.497 31.200 28.738 -0.058 0.000 1.325 376 Q HN 0.171 nan 8.270 nan 0.000 0.446 377 G N -0.235 108.524 108.800 -0.068 0.000 2.484 377 G HA2 -0.100 3.861 3.960 0.001 0.000 0.685 377 G HA3 -0.100 3.861 3.960 0.001 0.000 0.685 377 G C -1.220 173.642 174.900 -0.063 0.000 1.294 377 G CA -0.969 44.093 45.100 -0.063 0.000 0.879 377 G HN 0.361 nan 8.290 nan 0.000 0.646 378 V N 0.713 120.598 119.914 -0.049 0.000 2.508 378 V HA 0.380 4.500 4.120 0.001 0.000 0.281 378 V C 0.897 176.969 176.094 -0.036 0.000 1.041 378 V CA -0.304 61.974 62.300 -0.037 0.000 1.016 378 V CB 1.377 33.184 31.823 -0.027 0.000 0.984 378 V HN 0.820 nan 8.190 nan 0.000 0.478 379 V N 7.903 127.806 119.914 -0.019 0.000 2.334 379 V HA 0.334 4.455 4.120 0.001 0.000 0.267 379 V C 0.113 176.235 176.094 0.047 0.000 1.040 379 V CA -0.269 62.028 62.300 -0.006 0.000 0.866 379 V CB 0.937 32.759 31.823 -0.002 0.000 1.019 379 V HN 0.576 nan 8.190 nan 0.000 0.468 380 L N 5.695 126.930 121.223 0.019 0.000 2.307 380 L HA 0.681 5.022 4.340 0.001 0.000 0.282 380 L C 0.073 176.930 176.870 -0.021 0.000 1.051 380 L CA -0.261 54.580 54.840 0.001 0.000 0.804 380 L CB 1.474 43.520 42.059 -0.021 0.000 1.197 380 L HN 0.855 nan 8.230 nan 0.000 0.431 381 C N 1.502 120.727 119.300 -0.125 0.000 2.994 381 C HA 0.819 5.279 4.460 0.001 0.000 0.304 381 C C -0.590 173.967 174.990 -0.722 0.000 1.273 381 C CA -1.252 57.554 59.018 -0.353 0.000 1.537 381 C CB 1.076 28.526 27.740 -0.484 0.000 2.001 381 C HN 1.014 nan 8.230 nan 0.000 0.471 382 C N 3.495 122.324 119.300 -0.785 0.000 2.892 382 C HA 0.573 5.034 4.460 0.001 0.000 0.360 382 C C -0.343 174.423 174.990 -0.373 0.000 1.054 382 C CA -0.533 57.978 59.018 -0.845 0.000 1.326 382 C CB -0.805 26.676 27.740 -0.431 0.000 1.806 382 C HN 0.933 nan 8.230 nan 0.000 0.490 383 F N 3.732 123.621 119.950 -0.101 0.000 2.713 383 F HA 0.271 4.799 4.527 0.002 0.000 0.294 383 F C 1.220 177.064 175.800 0.073 0.000 1.152 383 F CA -0.568 57.455 58.000 0.038 0.000 1.385 383 F CB -0.066 39.041 39.000 0.179 0.000 0.981 383 F HN 0.599 nan 8.300 nan 0.000 0.514 384 N N 0.892 119.704 118.700 0.187 0.000 2.467 384 N HA -0.005 4.736 4.740 0.001 0.000 0.262 384 N C 0.035 175.475 175.510 -0.117 0.000 1.234 384 N CA -0.079 52.998 53.050 0.044 0.000 0.952 384 N CB 0.356 38.838 38.487 -0.009 0.000 1.158 384 N HN 0.110 nan 8.380 nan 0.000 0.463 385 N N -0.092 118.423 118.700 -0.310 0.000 2.395 385 N HA -0.080 4.661 4.740 0.001 0.000 0.246 385 N C 1.152 176.356 175.510 -0.510 0.000 1.246 385 N CA 0.191 52.952 53.050 -0.482 0.000 0.879 385 N CB 0.576 38.535 38.487 -0.880 0.000 1.098 385 N HN 0.543 nan 8.380 nan 0.000 0.444 386 S N 2.982 118.491 115.700 -0.319 0.000 2.402 386 S HA -0.252 4.219 4.470 0.001 0.000 0.233 386 S C 1.800 176.319 174.600 -0.135 0.000 1.030 386 S CA 1.577 59.678 58.200 -0.164 0.000 1.003 386 S CB -0.798 62.349 63.200 -0.088 0.000 0.813 386 S HN 0.762 nan 8.310 nan 0.000 0.477 387 Y N 1.172 121.428 120.300 -0.073 0.000 2.497 387 Y HA 0.330 4.881 4.550 0.001 0.000 0.292 387 Y C 1.928 177.775 175.900 -0.088 0.000 1.137 387 Y CA 0.414 58.472 58.100 -0.070 0.000 1.285 387 Y CB -0.508 37.903 38.460 -0.082 0.000 0.991 387 Y HN 0.147 nan 8.280 nan 0.000 0.556 388 K N 0.097 120.306 120.400 -0.318 0.000 2.418 388 K HA 0.102 4.423 4.320 0.001 0.000 0.195 388 K C -0.211 176.323 176.600 -0.110 0.000 1.035 388 K CA 0.027 56.185 56.287 -0.215 0.000 1.003 388 K CB 0.157 32.426 32.500 -0.384 0.000 0.793 388 K HN 0.156 nan 8.250 nan 0.000 0.494 389 L N 3.272 124.453 121.223 -0.070 0.000 2.389 389 L HA 0.075 4.416 4.340 0.001 0.000 0.265 389 L C -0.337 176.550 176.870 0.028 0.000 1.167 389 L CA -0.254 54.590 54.840 0.007 0.000 1.045 389 L CB -0.729 41.377 42.059 0.079 0.000 1.351 389 L HN 0.163 nan 8.230 nan 0.000 0.419 390 N N 1.961 120.558 118.700 -0.171 0.000 2.448 390 N HA 0.475 5.216 4.740 0.001 0.000 0.274 390 N C -2.119 172.853 175.510 -0.896 0.000 1.239 390 N CA -2.011 50.739 53.050 -0.499 0.000 0.982 390 N CB -0.235 38.020 38.487 -0.386 0.000 1.199 390 N HN -0.091 nan 8.380 nan 0.000 0.576 391 P HA -0.255 nan 4.420 nan 0.000 0.214 391 P C 1.401 178.395 177.300 -0.510 0.000 1.163 391 P CA 1.837 64.172 63.100 -1.276 0.000 0.889 391 P CB 0.116 31.261 31.700 -0.925 0.000 0.790 392 Q N -0.372 119.219 119.800 -0.349 0.000 2.045 392 Q HA -0.186 4.155 4.340 0.001 0.000 0.206 392 Q C 2.069 177.985 176.000 -0.139 0.000 0.991 392 Q CA 2.581 58.280 55.803 -0.173 0.000 0.851 392 Q CB -0.583 28.079 28.738 -0.126 0.000 0.911 392 Q HN 0.112 nan 8.270 nan 0.000 0.418 393 S N 0.167 115.770 115.700 -0.162 0.000 2.368 393 S HA -0.130 4.341 4.470 0.001 0.000 0.225 393 S C 1.907 176.477 174.600 -0.050 0.000 1.030 393 S CA 1.254 59.378 58.200 -0.127 0.000 0.999 393 S CB -0.153 62.985 63.200 -0.104 0.000 0.844 393 S HN 0.381 nan 8.310 nan 0.000 0.459 394 M N 1.406 120.984 119.600 -0.037 0.000 2.099 394 M HA 0.001 4.481 4.480 0.001 0.000 0.262 394 M C 2.550 179.006 176.300 0.261 0.000 1.067 394 M CA 1.466 56.840 55.300 0.123 0.000 1.124 394 M CB -1.630 31.043 32.600 0.122 0.000 1.353 394 M HN 0.375 nan 8.290 nan 0.000 0.410 395 A N -0.060 122.922 122.820 0.269 0.000 1.892 395 A HA -0.238 4.082 4.320 0.001 0.000 0.218 395 A C 2.304 179.986 177.584 0.163 0.000 1.188 395 A CA 2.104 54.312 52.037 0.285 0.000 0.631 395 A CB -0.765 18.362 19.000 0.211 0.000 0.822 395 A HN 0.446 nan 8.150 nan 0.000 0.447 396 R N -1.129 119.430 120.500 0.100 0.000 2.097 396 R HA -0.184 4.157 4.340 0.001 0.000 0.236 396 R C 2.414 178.851 176.300 0.228 0.000 1.135 396 R CA 2.345 58.517 56.100 0.120 0.000 0.934 396 R CB -0.388 29.873 30.300 -0.065 0.000 0.846 396 R HN 0.637 nan 8.270 nan 0.000 0.431 397 M N -0.225 119.500 119.600 0.208 0.000 2.086 397 M HA -0.188 4.293 4.480 0.001 0.000 0.261 397 M C 2.075 178.458 176.300 0.139 0.000 1.067 397 M CA 1.268 56.687 55.300 0.198 0.000 1.116 397 M CB -0.347 32.338 32.600 0.142 0.000 1.348 397 M HN 0.116 nan 8.290 nan 0.000 0.407 398 L N 0.758 122.070 121.223 0.147 0.000 2.042 398 L HA -0.136 4.205 4.340 0.001 0.000 0.210 398 L C 2.853 179.766 176.870 0.072 0.000 1.076 398 L CA 2.096 57.001 54.840 0.109 0.000 0.749 398 L CB -1.555 40.582 42.059 0.131 0.000 0.893 398 L HN 0.281 nan 8.230 nan 0.000 0.432 399 A N -1.129 121.743 122.820 0.087 0.000 1.948 399 A HA -0.187 4.134 4.320 0.001 0.000 0.220 399 A C 2.399 180.012 177.584 0.049 0.000 1.177 399 A CA 2.034 54.108 52.037 0.063 0.000 0.636 399 A CB -0.846 18.203 19.000 0.082 0.000 0.815 399 A HN 0.256 nan 8.150 nan 0.000 0.449 400 V N -0.435 119.515 119.914 0.060 0.000 2.358 400 V HA -0.218 3.903 4.120 0.001 0.000 0.246 400 V C 2.525 178.624 176.094 0.009 0.000 1.047 400 V CA 1.803 64.117 62.300 0.023 0.000 1.035 400 V CB -0.741 31.086 31.823 0.007 0.000 0.658 400 V HN 0.550 nan 8.190 nan 0.000 0.452 401 L N -0.265 120.968 121.223 0.017 0.000 1.994 401 L HA -0.204 4.137 4.340 0.001 0.000 0.208 401 L C 2.745 179.613 176.870 -0.003 0.000 1.071 401 L CA 2.089 56.932 54.840 0.004 0.000 0.745 401 L CB -0.577 41.488 42.059 0.010 0.000 0.892 401 L HN 0.214 nan 8.230 nan 0.000 0.431 402 R N -0.006 120.494 120.500 -0.001 0.000 2.139 402 R HA -0.251 4.090 4.340 0.001 0.000 0.243 402 R C 2.054 178.347 176.300 -0.012 0.000 1.145 402 R CA 1.984 58.077 56.100 -0.011 0.000 0.976 402 R CB -0.089 30.203 30.300 -0.013 0.000 0.866 402 R HN 0.405 nan 8.270 nan 0.000 0.449 403 E N -0.678 119.519 120.200 -0.007 0.000 2.472 403 E HA 0.040 4.391 4.350 0.001 0.000 0.196 403 E C -0.906 175.686 176.600 -0.013 0.000 1.033 403 E CA 0.031 56.425 56.400 -0.009 0.000 0.886 403 E CB 0.775 30.473 29.700 -0.004 0.000 0.944 403 E HN 0.060 nan 8.360 nan 0.000 0.492 404 V N 3.127 123.033 119.914 -0.014 0.000 2.385 404 V HA 0.305 4.426 4.120 0.001 0.000 0.277 404 V C -2.438 173.644 176.094 -0.020 0.000 1.012 404 V CA -1.809 60.480 62.300 -0.018 0.000 0.832 404 V CB 1.173 32.983 31.823 -0.022 0.000 1.028 404 V HN 0.105 nan 8.190 nan 0.000 0.436 405 P HA 0.221 nan 4.420 nan 0.000 0.268 405 P C 0.275 177.560 177.300 -0.026 0.000 1.208 405 P CA 0.505 63.592 63.100 -0.022 0.000 0.777 405 P CB 0.392 32.080 31.700 -0.021 0.000 0.875 406 D N -1.879 118.504 120.400 -0.029 0.000 2.911 406 D HA -0.145 4.496 4.640 0.001 0.000 0.199 406 D C -0.213 176.062 176.300 -0.043 0.000 1.041 406 D CA 1.865 55.843 54.000 -0.036 0.000 1.013 406 D CB -1.505 39.273 40.800 -0.036 0.000 1.093 406 D HN 0.474 nan 8.370 nan 0.000 0.431 407 S N -0.748 114.929 115.700 -0.037 0.000 2.654 407 S HA 0.761 5.232 4.470 0.001 0.000 0.283 407 S C 0.133 174.706 174.600 -0.044 0.000 1.180 407 S CA -0.168 58.008 58.200 -0.040 0.000 1.021 407 S CB 2.550 65.732 63.200 -0.030 0.000 1.018 407 S HN 0.586 nan 8.310 nan 0.000 0.532 408 V N -0.685 119.197 119.914 -0.054 0.000 3.040 408 V HA 0.781 4.902 4.120 0.001 0.000 0.312 408 V C -1.096 174.970 176.094 -0.046 0.000 1.115 408 V CA -1.162 61.101 62.300 -0.062 0.000 0.998 408 V CB 1.461 33.220 31.823 -0.106 0.000 1.042 408 V HN 0.871 nan 8.190 nan 0.000 0.433 409 L N 2.960 124.156 121.223 -0.046 0.000 2.294 409 L HA 0.610 4.951 4.340 0.001 0.000 0.283 409 L C -1.113 175.750 176.870 -0.012 0.000 1.015 409 L CA -0.451 54.370 54.840 -0.032 0.000 0.831 409 L CB 1.053 43.089 42.059 -0.037 0.000 1.217 409 L HN 0.911 nan 8.230 nan 0.000 0.420 410 W N 7.558 128.755 121.300 -0.172 0.000 2.387 410 W HA 0.516 5.176 4.660 0.001 0.000 0.310 410 W C -1.282 175.176 176.519 -0.102 0.000 1.181 410 W CA -1.029 56.246 57.345 -0.116 0.000 1.333 410 W CB 0.570 30.010 29.460 -0.035 0.000 1.286 410 W HN 0.418 nan 8.180 nan 0.000 0.455 411 L N 6.012 127.307 121.223 0.121 0.000 2.319 411 L HA 0.438 4.778 4.340 0.001 0.000 0.267 411 L C -0.467 176.545 176.870 0.237 0.000 1.011 411 L CA -1.637 53.255 54.840 0.086 0.000 0.818 411 L CB 1.618 43.629 42.059 -0.080 0.000 1.316 411 L HN 0.066 nan 8.230 nan 0.000 0.432 412 L N 1.319 122.695 121.223 0.255 0.000 2.315 412 L HA 0.239 4.580 4.340 0.001 0.000 0.283 412 L C 0.510 177.496 176.870 0.193 0.000 1.089 412 L CA 0.535 55.443 54.840 0.114 0.000 0.833 412 L CB 1.106 43.180 42.059 0.024 0.000 1.170 412 L HN 0.611 nan 8.230 nan 0.000 0.442 413 S N 3.534 119.361 115.700 0.212 0.000 2.593 413 S HA 0.360 4.831 4.470 0.001 0.000 0.300 413 S C 0.522 175.137 174.600 0.025 0.000 1.267 413 S CA 0.152 58.453 58.200 0.168 0.000 1.065 413 S CB -0.306 62.947 63.200 0.089 0.000 0.807 413 S HN 0.983 nan 8.310 nan 0.000 0.499 414 G N 4.642 113.418 108.800 -0.040 0.000 2.531 414 G HA2 0.637 4.598 3.960 0.001 0.000 0.313 414 G HA3 0.637 4.598 3.960 0.001 0.000 0.313 414 G C -2.543 172.296 174.900 -0.102 0.000 1.238 414 G CA -1.328 43.727 45.100 -0.074 0.000 0.994 414 G HN 0.647 nan 8.290 nan 0.000 0.493 415 P HA 0.321 nan 4.420 nan 0.000 0.279 415 P C 1.073 178.309 177.300 -0.107 0.000 1.282 415 P CA 0.822 63.866 63.100 -0.094 0.000 0.788 415 P CB 0.467 32.098 31.700 -0.114 0.000 1.139 416 G N 1.281 110.045 108.800 -0.059 0.000 2.652 416 G HA2 -0.312 3.649 3.960 0.001 0.000 0.318 416 G HA3 -0.312 3.649 3.960 0.001 0.000 0.318 416 G C 0.195 175.045 174.900 -0.082 0.000 1.295 416 G CA 0.604 45.676 45.100 -0.046 0.000 0.999 416 G HN 0.661 nan 8.290 nan 0.000 0.548 417 E N 1.216 121.358 120.200 -0.097 0.000 2.609 417 E HA 0.527 4.878 4.350 0.001 0.000 0.208 417 E C 1.948 178.443 176.600 -0.175 0.000 1.013 417 E CA 0.315 56.641 56.400 -0.124 0.000 1.093 417 E CB 0.419 30.065 29.700 -0.090 0.000 1.129 417 E HN 0.688 nan 8.360 nan 0.000 0.450 418 A N 1.325 124.028 122.820 -0.194 0.000 1.892 418 A HA -0.274 4.047 4.320 0.001 0.000 0.218 418 A C 1.529 178.951 177.584 -0.271 0.000 1.188 418 A CA 1.982 53.885 52.037 -0.223 0.000 0.631 418 A CB -0.285 18.603 19.000 -0.187 0.000 0.822 418 A HN 0.153 nan 8.150 nan 0.000 0.447 419 D N 0.087 120.245 120.400 -0.404 0.000 2.104 419 D HA -0.073 4.567 4.640 0.001 0.000 0.194 419 D C 2.216 178.269 176.300 -0.412 0.000 0.994 419 D CA 1.753 55.292 54.000 -0.769 0.000 0.830 419 D CB -0.429 39.689 40.800 -1.136 0.000 0.959 419 D HN 0.461 nan 8.370 nan 0.000 0.452 420 A N 0.885 123.542 122.820 -0.271 0.000 1.883 420 A HA -0.233 4.088 4.320 0.001 0.000 0.217 420 A C 2.126 179.647 177.584 -0.104 0.000 1.186 420 A CA 1.610 53.560 52.037 -0.145 0.000 0.624 420 A CB -0.505 18.423 19.000 -0.119 0.000 0.822 420 A HN 0.125 nan 8.150 nan 0.000 0.444 421 R N -1.248 119.160 120.500 -0.152 0.000 2.096 421 R HA -0.102 4.239 4.340 0.001 0.000 0.235 421 R C 1.911 178.133 176.300 -0.130 0.000 1.127 421 R CA 1.256 57.251 56.100 -0.175 0.000 0.968 421 R CB -0.516 29.601 30.300 -0.306 0.000 0.861 421 R HN 0.390 nan 8.270 nan 0.000 0.440 422 L N 1.033 122.202 121.223 -0.090 0.000 2.056 422 L HA -0.112 4.229 4.340 0.001 0.000 0.207 422 L C 2.334 179.348 176.870 0.240 0.000 1.078 422 L CA 1.631 56.526 54.840 0.092 0.000 0.749 422 L CB -0.551 41.645 42.059 0.228 0.000 0.901 422 L HN 0.082 nan 8.230 nan 0.000 0.433 423 R N -0.844 119.781 120.500 0.207 0.000 2.096 423 R HA -0.113 4.228 4.340 0.001 0.000 0.235 423 R C 2.197 178.599 176.300 0.171 0.000 1.127 423 R CA 1.245 57.475 56.100 0.216 0.000 0.968 423 R CB -0.713 29.687 30.300 0.166 0.000 0.861 423 R HN 0.359 nan 8.270 nan 0.000 0.440 424 A N 1.653 124.543 122.820 0.116 0.000 1.845 424 A HA -0.213 4.107 4.320 0.001 0.000 0.215 424 A C 2.027 179.721 177.584 0.183 0.000 1.195 424 A CA 1.323 53.425 52.037 0.108 0.000 0.616 424 A CB -0.797 18.234 19.000 0.051 0.000 0.832 424 A HN 0.348 nan 8.150 nan 0.000 0.443 425 F N 1.114 121.094 119.950 0.049 0.000 2.091 425 F HA -0.197 4.330 4.527 0.001 0.000 0.299 425 F C 2.541 178.423 175.800 0.137 0.000 1.103 425 F CA 1.433 59.494 58.000 0.101 0.000 1.228 425 F CB -0.544 38.523 39.000 0.111 0.000 0.984 425 F HN 0.268 nan 8.300 nan 0.000 0.477 426 A N -0.188 122.768 122.820 0.226 0.000 1.892 426 A HA -0.315 4.006 4.320 0.001 0.000 0.218 426 A C 2.420 180.007 177.584 0.005 0.000 1.188 426 A CA 2.045 54.149 52.037 0.112 0.000 0.631 426 A CB -1.614 17.498 19.000 0.186 0.000 0.822 426 A HN 0.692 nan 8.150 nan 0.000 0.447 427 H N -0.095 118.967 119.070 -0.013 0.000 2.290 427 H HA -0.097 4.460 4.556 0.002 0.000 0.298 427 H C 2.261 177.543 175.328 -0.076 0.000 1.087 427 H CA 1.849 57.880 56.048 -0.029 0.000 1.291 427 H CB -0.266 29.496 29.762 -0.001 0.000 1.369 427 H HN 0.412 nan 8.280 nan 0.000 0.492 428 A N 0.244 123.053 122.820 -0.019 0.000 2.186 428 A HA -0.162 4.159 4.320 0.001 0.000 0.219 428 A C 2.122 179.561 177.584 -0.240 0.000 1.159 428 A CA 1.524 53.499 52.037 -0.103 0.000 0.680 428 A CB -0.262 18.704 19.000 -0.058 0.000 0.787 428 A HN 0.416 nan 8.150 nan 0.000 0.467 429 Q N -1.444 118.162 119.800 -0.323 0.000 2.247 429 Q HA 0.343 4.684 4.340 0.001 0.000 0.204 429 Q C 0.836 176.720 176.000 -0.195 0.000 0.872 429 Q CA 0.701 56.313 55.803 -0.319 0.000 0.951 429 Q CB 0.070 28.532 28.738 -0.459 0.000 1.099 429 Q HN 0.900 nan 8.270 nan 0.000 0.501 430 G N -0.574 108.100 108.800 -0.211 0.000 2.171 430 G HA2 -0.178 3.782 3.960 0.001 0.000 0.238 430 G HA3 -0.178 3.782 3.960 0.001 0.000 0.238 430 G C -0.506 174.315 174.900 -0.131 0.000 1.039 430 G CA 0.234 45.227 45.100 -0.178 0.000 0.759 430 G HN 0.195 nan 8.290 nan 0.000 0.501 431 V N -0.133 119.708 119.914 -0.122 0.000 2.638 431 V HA 0.483 4.604 4.120 0.001 0.000 0.306 431 V C 0.030 176.119 176.094 -0.008 0.000 1.052 431 V CA -0.818 61.452 62.300 -0.049 0.000 0.885 431 V CB 1.996 33.812 31.823 -0.011 0.000 0.999 431 V HN 0.378 nan 8.190 nan 0.000 0.424 432 D N 3.709 124.117 120.400 0.013 0.000 2.402 432 D HA 0.150 4.791 4.640 0.001 0.000 0.268 432 D C 1.317 177.670 176.300 0.089 0.000 1.294 432 D CA 0.685 54.726 54.000 0.067 0.000 0.945 432 D CB 1.385 42.209 40.800 0.040 0.000 1.112 432 D HN 0.755 nan 8.370 nan 0.000 0.517 433 A N 4.605 127.513 122.820 0.147 0.000 2.204 433 A HA -0.231 4.090 4.320 0.001 0.000 0.220 433 A C 1.789 179.440 177.584 0.112 0.000 1.165 433 A CA 1.199 53.321 52.037 0.141 0.000 0.671 433 A CB -0.266 18.825 19.000 0.151 0.000 0.792 433 A HN 0.638 nan 8.150 nan 0.000 0.473 434 Q N -0.783 119.065 119.800 0.079 0.000 2.403 434 Q HA 0.062 4.403 4.340 0.001 0.000 0.203 434 Q C 1.398 177.412 176.000 0.025 0.000 0.932 434 Q CA 0.390 56.227 55.803 0.056 0.000 0.945 434 Q CB 0.011 28.772 28.738 0.039 0.000 1.045 434 Q HN 0.744 nan 8.270 nan 0.000 0.511 435 R N -0.449 120.062 120.500 0.018 0.000 2.300 435 R HA 0.121 4.462 4.340 0.001 0.000 0.199 435 R C -0.212 176.063 176.300 -0.042 0.000 0.920 435 R CA -0.093 55.997 56.100 -0.016 0.000 1.046 435 R CB 0.379 30.673 30.300 -0.010 0.000 0.984 435 R HN -0.017 nan 8.270 nan 0.000 0.493 436 L N 1.189 122.391 121.223 -0.035 0.000 2.265 436 L HA 0.222 4.563 4.340 0.001 0.000 0.288 436 L C -0.434 176.309 176.870 -0.212 0.000 1.058 436 L CA -0.201 54.545 54.840 -0.157 0.000 0.809 436 L CB 1.785 43.770 42.059 -0.123 0.000 1.179 436 L HN -0.232 nan 8.230 nan 0.000 0.429 437 V N 4.679 124.437 119.914 -0.260 0.000 2.417 437 V HA 0.428 4.549 4.120 0.001 0.000 0.291 437 V C -0.472 175.584 176.094 -0.063 0.000 1.024 437 V CA -0.570 61.672 62.300 -0.096 0.000 0.861 437 V CB 1.297 33.053 31.823 -0.113 0.000 0.985 437 V HN 0.357 nan 8.190 nan 0.000 0.436 438 F N 4.755 124.849 119.950 0.239 0.000 2.385 438 F HA 0.558 5.086 4.527 0.001 0.000 0.360 438 F C 0.320 176.251 175.800 0.219 0.000 1.122 438 F CA -0.417 57.715 58.000 0.220 0.000 1.090 438 F CB 1.552 40.620 39.000 0.113 0.000 1.150 438 F HN 0.395 nan 8.300 nan 0.000 0.472 439 M N 6.299 126.098 119.600 0.332 0.000 2.233 439 M HA 0.504 4.984 4.480 0.001 0.000 0.355 439 M C -2.724 173.601 176.300 0.042 0.000 1.191 439 M CA -1.609 53.788 55.300 0.162 0.000 1.101 439 M CB 1.529 34.049 32.600 -0.133 0.000 1.592 439 M HN 0.211 nan 8.290 nan 0.000 0.461 440 P HA 0.193 nan 4.420 nan 0.000 0.277 440 P C -1.745 175.510 177.300 -0.075 0.000 1.240 440 P CA -0.447 62.650 63.100 -0.005 0.000 0.798 440 P CB 0.545 32.255 31.700 0.017 0.000 0.979 441 K N 2.561 122.910 120.400 -0.085 0.000 2.447 441 K HA 0.174 4.495 4.320 0.001 0.000 0.281 441 K C -0.932 175.612 176.600 -0.094 0.000 1.031 441 K CA 0.637 56.846 56.287 -0.130 0.000 1.019 441 K CB -0.660 31.774 32.500 -0.109 0.000 0.918 441 K HN 0.328 nan 8.250 nan 0.000 0.476 442 L N 5.818 126.975 121.223 -0.109 0.000 2.303 442 L HA 0.561 4.902 4.340 0.001 0.000 0.266 442 L C -2.043 174.819 176.870 -0.013 0.000 1.011 442 L CA -2.728 52.087 54.840 -0.042 0.000 0.818 442 L CB 1.757 43.802 42.059 -0.022 0.000 1.326 442 L HN 0.616 nan 8.230 nan 0.000 0.435 443 P HA 0.030 nan 4.420 nan 0.000 0.268 443 P C 0.141 177.516 177.300 0.125 0.000 1.204 443 P CA 0.019 63.156 63.100 0.062 0.000 0.768 443 P CB 0.494 32.227 31.700 0.055 0.000 0.842 444 H N 5.657 124.771 119.070 0.073 0.000 2.297 444 H HA -0.212 4.344 4.556 0.001 0.000 0.289 444 H C -0.893 174.549 175.328 0.190 0.000 1.105 444 H CA 3.020 59.177 56.048 0.182 0.000 1.219 444 H CB -1.474 28.367 29.762 0.132 0.000 1.351 444 H HN 0.464 nan 8.280 nan 0.000 0.481 445 P HA -0.161 nan 4.420 nan 0.000 0.215 445 P C 1.298 178.584 177.300 -0.023 0.000 1.157 445 P CA 2.214 65.334 63.100 0.033 0.000 0.874 445 P CB -0.048 31.694 31.700 0.070 0.000 0.790 446 Q N -2.173 117.633 119.800 0.010 0.000 2.123 446 Q HA -0.195 4.146 4.340 0.001 0.000 0.199 446 Q C 2.211 178.185 176.000 -0.044 0.000 0.966 446 Q CA 1.228 57.027 55.803 -0.006 0.000 0.845 446 Q CB -0.720 28.029 28.738 0.018 0.000 0.907 446 Q HN 0.360 nan 8.270 nan 0.000 0.439 447 Y N 0.999 121.190 120.300 -0.183 0.000 2.163 447 Y HA -0.188 4.363 4.550 0.001 0.000 0.288 447 Y C 1.805 177.530 175.900 -0.290 0.000 1.136 447 Y CA 1.121 59.041 58.100 -0.300 0.000 1.147 447 Y CB -0.437 37.845 38.460 -0.298 0.000 0.987 447 Y HN -0.008 nan 8.280 nan 0.000 0.509 448 L N 0.387 121.229 121.223 -0.635 0.000 2.013 448 L HA -0.287 4.054 4.340 0.001 0.000 0.212 448 L C 2.752 179.482 176.870 -0.232 0.000 1.073 448 L CA 1.630 56.153 54.840 -0.528 0.000 0.753 448 L CB -0.971 40.891 42.059 -0.328 0.000 0.890 448 L HN 0.503 nan 8.230 nan 0.000 0.432 449 A N -0.667 122.049 122.820 -0.174 0.000 2.019 449 A HA -0.194 4.126 4.320 0.001 0.000 0.219 449 A C 2.156 179.688 177.584 -0.088 0.000 1.164 449 A CA 1.094 53.073 52.037 -0.097 0.000 0.644 449 A CB -0.397 18.563 19.000 -0.066 0.000 0.805 449 A HN 0.321 nan 8.150 nan 0.000 0.449 450 R N -1.337 119.074 120.500 -0.148 0.000 2.152 450 R HA -0.134 4.207 4.340 0.001 0.000 0.232 450 R C 1.607 177.953 176.300 0.078 0.000 1.117 450 R CA 1.194 57.279 56.100 -0.025 0.000 0.981 450 R CB -0.907 29.217 30.300 -0.294 0.000 0.870 450 R HN 0.694 nan 8.270 nan 0.000 0.451 451 Y N 1.074 121.393 120.300 0.031 0.000 2.315 451 Y HA -0.148 4.403 4.550 0.001 0.000 0.288 451 Y C 2.312 178.281 175.900 0.114 0.000 1.154 451 Y CA 1.067 59.227 58.100 0.099 0.000 1.229 451 Y CB -0.308 38.145 38.460 -0.012 0.000 0.980 451 Y HN 0.003 nan 8.280 nan 0.000 0.540 452 R N -0.968 119.623 120.500 0.152 0.000 2.193 452 R HA -0.153 4.187 4.340 0.001 0.000 0.229 452 R C 1.193 177.554 176.300 0.101 0.000 1.110 452 R CA 1.119 57.250 56.100 0.051 0.000 0.988 452 R CB -0.274 29.965 30.300 -0.102 0.000 0.871 452 R HN 0.443 nan 8.270 nan 0.000 0.458 453 H N -0.740 118.493 119.070 0.271 0.000 2.553 453 H HA 0.263 4.820 4.556 0.001 0.000 0.265 453 H C 0.318 175.803 175.328 0.263 0.000 0.964 453 H CA 0.122 56.304 56.048 0.223 0.000 1.156 453 H CB 0.189 30.065 29.762 0.190 0.000 1.411 453 H HN 0.119 nan 8.280 nan 0.000 0.558 454 A N 0.638 123.742 122.820 0.472 0.000 2.327 454 A HA 0.193 4.514 4.320 0.001 0.000 0.283 454 A C 0.579 178.360 177.584 0.329 0.000 1.127 454 A CA -0.381 51.895 52.037 0.399 0.000 0.810 454 A CB 0.712 19.965 19.000 0.422 0.000 1.066 454 A HN 0.152 nan 8.150 nan 0.000 0.492 455 D N -0.134 120.418 120.400 0.253 0.000 2.422 455 D HA 0.204 4.845 4.640 0.001 0.000 0.218 455 D C -0.532 175.952 176.300 0.306 0.000 1.047 455 D CA 0.787 54.947 54.000 0.267 0.000 0.885 455 D CB 0.641 41.504 40.800 0.104 0.000 1.035 455 D HN 0.330 nan 8.370 nan 0.000 0.502 456 L N 0.165 121.501 121.223 0.189 0.000 2.641 456 L HA 0.334 4.675 4.340 0.001 0.000 0.261 456 L C -1.933 175.012 176.870 0.125 0.000 0.926 456 L CA -0.736 54.186 54.840 0.136 0.000 0.917 456 L CB 2.028 44.131 42.059 0.072 0.000 1.361 456 L HN -0.236 nan 8.230 nan 0.000 0.417 457 F N 5.675 125.635 119.950 0.017 0.000 2.424 457 F HA 0.587 5.114 4.527 0.001 0.000 0.356 457 F C -0.747 175.085 175.800 0.055 0.000 1.110 457 F CA -0.356 57.657 58.000 0.022 0.000 1.161 457 F CB 0.691 39.705 39.000 0.023 0.000 1.115 457 F HN 0.356 nan 8.300 nan 0.000 0.507 458 L N 6.039 127.142 121.223 -0.201 0.000 2.255 458 L HA 0.255 4.596 4.340 0.001 0.000 0.289 458 L C -0.316 176.629 176.870 0.125 0.000 1.046 458 L CA -0.766 54.139 54.840 0.107 0.000 0.816 458 L CB 0.861 42.998 42.059 0.130 0.000 1.197 458 L HN 0.566 nan 8.230 nan 0.000 0.427 459 D N 2.052 122.714 120.400 0.435 0.000 2.344 459 D HA 0.251 4.892 4.640 0.001 0.000 0.244 459 D C 0.118 176.517 176.300 0.165 0.000 1.134 459 D CA 0.024 54.259 54.000 0.392 0.000 0.930 459 D CB 1.231 42.280 40.800 0.414 0.000 1.175 459 D HN 0.562 nan 8.370 nan 0.000 0.437 460 T N -0.407 114.230 114.554 0.138 0.000 2.944 460 T HA 0.550 4.901 4.350 0.001 0.000 0.284 460 T C -0.568 174.189 174.700 0.095 0.000 1.010 460 T CA -0.659 61.466 62.100 0.043 0.000 1.025 460 T CB 1.394 70.268 68.868 0.010 0.000 1.079 460 T HN 0.501 nan 8.240 nan 0.000 0.516 461 H N 0.782 119.810 119.070 -0.069 0.000 2.851 461 H HA 0.478 5.035 4.556 0.002 0.000 0.372 461 H C -2.390 172.900 175.328 -0.064 0.000 1.158 461 H CA -2.006 54.010 56.048 -0.053 0.000 1.159 461 H CB 2.591 32.285 29.762 -0.112 0.000 1.757 461 H HN 0.383 nan 8.280 nan 0.000 0.546 462 P HA -0.009 nan 4.420 nan 0.000 0.257 462 P C -0.848 176.309 177.300 -0.239 0.000 1.281 462 P CA 0.360 62.916 63.100 -0.907 0.000 0.826 462 P CB 0.217 31.423 31.700 -0.824 0.000 1.237 463 Y N 1.810 121.994 120.300 -0.194 0.000 2.478 463 Y HA 0.389 4.940 4.550 0.001 0.000 0.329 463 Y C 0.221 176.117 175.900 -0.007 0.000 0.967 463 Y CA -2.397 55.654 58.100 -0.080 0.000 1.255 463 Y CB -0.185 38.219 38.460 -0.093 0.000 1.103 463 Y HN -0.214 nan 8.280 nan 0.000 0.497 464 N N 2.481 121.450 118.700 0.448 0.000 2.235 464 N HA 0.330 5.070 4.740 0.001 0.000 0.231 464 N C -0.429 175.271 175.510 0.315 0.000 1.330 464 N CA 0.219 53.498 53.050 0.382 0.000 0.898 464 N CB 0.484 39.236 38.487 0.441 0.000 1.151 464 N HN 0.623 nan 8.380 nan 0.000 0.472 465 A N -0.595 122.419 122.820 0.322 0.000 2.331 465 A HA 0.330 4.651 4.320 0.001 0.000 0.283 465 A C 0.110 177.933 177.584 0.399 0.000 1.142 465 A CA -0.221 51.965 52.037 0.249 0.000 0.812 465 A CB 0.106 19.276 19.000 0.282 0.000 1.074 465 A HN 0.836 nan 8.150 nan 0.000 0.497 466 H N 1.162 120.332 119.070 0.167 0.000 2.398 466 H HA 0.017 4.574 4.556 0.001 0.000 0.279 466 H C 1.583 176.968 175.328 0.095 0.000 1.114 466 H CA 0.654 56.805 56.048 0.172 0.000 1.609 466 H CB 0.255 30.182 29.762 0.275 0.000 1.460 466 H HN 0.615 nan 8.280 nan 0.000 0.608 467 T N 0.543 115.246 114.554 0.249 0.000 2.788 467 T HA -0.124 4.227 4.350 0.001 0.000 0.268 467 T C 1.863 176.651 174.700 0.147 0.000 1.044 467 T CA 1.865 64.047 62.100 0.137 0.000 1.139 467 T CB -0.401 68.527 68.868 0.099 0.000 0.867 467 T HN 0.384 nan 8.240 nan 0.000 0.454 468 T N 1.876 116.530 114.554 0.168 0.000 2.867 468 T HA 0.031 4.382 4.350 0.001 0.000 0.268 468 T C 2.385 177.061 174.700 -0.041 0.000 1.057 468 T CA 0.971 63.198 62.100 0.212 0.000 1.136 468 T CB -0.403 68.642 68.868 0.296 0.000 0.874 468 T HN 0.427 nan 8.240 nan 0.000 0.466 469 A N 2.016 124.772 122.820 -0.106 0.000 1.898 469 A HA -0.057 4.263 4.320 0.001 0.000 0.216 469 A C 2.573 180.041 177.584 -0.193 0.000 1.181 469 A CA 1.870 53.726 52.037 -0.301 0.000 0.620 469 A CB -0.765 18.178 19.000 -0.095 0.000 0.819 469 A HN 0.584 nan 8.150 nan 0.000 0.442 470 S N -0.537 115.144 115.700 -0.031 0.000 2.489 470 S HA -0.090 4.381 4.470 0.001 0.000 0.228 470 S C 1.235 175.890 174.600 0.092 0.000 0.995 470 S CA 1.036 59.283 58.200 0.079 0.000 0.934 470 S CB -0.288 62.970 63.200 0.096 0.000 0.771 470 S HN 0.466 nan 8.310 nan 0.000 0.522 471 D N 2.462 122.879 120.400 0.029 0.000 2.097 471 D HA 0.069 4.710 4.640 0.001 0.000 0.197 471 D C 2.333 178.458 176.300 -0.292 0.000 0.984 471 D CA 1.484 55.514 54.000 0.050 0.000 0.826 471 D CB -0.643 40.331 40.800 0.290 0.000 0.973 471 D HN 0.535 nan 8.370 nan 0.000 0.460 472 A N 0.890 123.317 122.820 -0.655 0.000 1.858 472 A HA -0.163 4.158 4.320 0.001 0.000 0.216 472 A C 2.174 179.470 177.584 -0.479 0.000 1.190 472 A CA 1.069 52.464 52.037 -1.070 0.000 0.617 472 A CB -0.768 17.659 19.000 -0.956 0.000 0.827 472 A HN 0.141 nan 8.150 nan 0.000 0.443 473 L N -1.204 119.888 121.223 -0.218 0.000 2.042 473 L HA -0.181 4.160 4.340 0.001 0.000 0.210 473 L C 2.338 179.236 176.870 0.047 0.000 1.076 473 L CA 1.572 56.412 54.840 -0.001 0.000 0.749 473 L CB -1.120 41.049 42.059 0.183 0.000 0.893 473 L HN 0.764 nan 8.230 nan 0.000 0.432 474 W N -0.143 121.029 121.300 -0.214 0.000 2.350 474 W HA -0.252 4.408 4.660 0.001 0.000 0.289 474 W C 1.803 178.100 176.519 -0.370 0.000 1.215 474 W CA 1.637 58.632 57.345 -0.584 0.000 1.236 474 W CB -0.054 29.065 29.460 -0.568 0.000 1.130 474 W HN 0.126 nan 8.180 nan 0.000 0.541 475 T N -0.223 114.126 114.554 -0.343 0.000 3.023 475 T HA 0.072 4.423 4.350 0.001 0.000 0.266 475 T C 1.402 175.922 174.700 -0.299 0.000 1.093 475 T CA 1.706 63.597 62.100 -0.348 0.000 1.129 475 T CB -0.462 68.282 68.868 -0.207 0.000 0.899 475 T HN 0.437 nan 8.240 nan 0.000 0.491 476 G N 0.125 108.766 108.800 -0.265 0.000 2.184 476 G HA2 -0.212 3.749 3.960 0.001 0.000 0.206 476 G HA3 -0.212 3.749 3.960 0.001 0.000 0.206 476 G C 0.375 175.129 174.900 -0.244 0.000 0.995 476 G CA -0.132 44.841 45.100 -0.211 0.000 0.651 476 G HN 0.624 nan 8.290 nan 0.000 0.511 477 C N 3.822 122.987 119.300 -0.225 0.000 2.394 477 C HA 0.679 5.140 4.460 0.001 0.000 0.362 477 C C -1.299 173.566 174.990 -0.208 0.000 1.268 477 C CA -1.867 57.021 59.018 -0.217 0.000 1.828 477 C CB 0.465 28.179 27.740 -0.044 0.000 2.442 477 C HN 0.419 nan 8.230 nan 0.000 0.549 478 P HA 0.209 nan 4.420 nan 0.000 0.271 478 P C -0.977 176.328 177.300 0.009 0.000 1.218 478 P CA 0.165 63.194 63.100 -0.119 0.000 0.780 478 P CB 0.847 32.471 31.700 -0.126 0.000 0.901 479 V N 4.000 123.929 119.914 0.026 0.000 2.495 479 V HA 0.269 4.390 4.120 0.001 0.000 0.298 479 V C 0.263 176.440 176.094 0.138 0.000 1.031 479 V CA -0.753 61.626 62.300 0.132 0.000 0.871 479 V CB 1.492 33.327 31.823 0.019 0.000 0.988 479 V HN 0.421 nan 8.190 nan 0.000 0.432 480 L N 4.723 126.067 121.223 0.201 0.000 2.295 480 L HA 0.842 5.183 4.340 0.001 0.000 0.285 480 L C -0.051 177.034 176.870 0.359 0.000 1.035 480 L CA 0.845 55.781 54.840 0.160 0.000 0.806 480 L CB 1.753 43.782 42.059 -0.051 0.000 1.214 480 L HN 0.828 nan 8.230 nan 0.000 0.426 481 T N 1.467 116.212 114.554 0.319 0.000 2.864 481 T HA 0.639 4.990 4.350 0.001 0.000 0.299 481 T C -0.949 173.915 174.700 0.272 0.000 1.166 481 T CA -0.028 62.270 62.100 0.330 0.000 1.007 481 T CB 1.454 70.464 68.868 0.236 0.000 1.219 481 T HN 0.692 nan 8.240 nan 0.000 0.506 482 T N 1.790 116.451 114.554 0.178 0.000 3.250 482 T HA 0.540 4.891 4.350 0.001 0.000 0.391 482 T C -2.857 171.898 174.700 0.092 0.000 1.502 482 T CA -1.599 60.556 62.100 0.092 0.000 1.320 482 T CB 0.305 69.134 68.868 -0.066 0.000 1.102 482 T HN 0.336 nan 8.240 nan 0.000 0.610 483 P HA 0.173 nan 4.420 nan 0.000 0.255 483 P C 0.894 178.256 177.300 0.103 0.000 1.161 483 P CA 0.566 63.776 63.100 0.183 0.000 0.768 483 P CB 0.273 32.145 31.700 0.287 0.000 0.746 484 G N 3.020 111.898 108.800 0.129 0.000 2.630 484 G HA2 0.263 4.224 3.960 0.001 0.000 0.223 484 G HA3 0.263 4.224 3.960 0.001 0.000 0.223 484 G C -0.070 174.859 174.900 0.048 0.000 1.434 484 G CA -0.492 44.685 45.100 0.127 0.000 1.057 484 G HN 0.560 nan 8.290 nan 0.000 0.570 485 E N -1.000 119.224 120.200 0.040 0.000 2.736 485 E HA 0.280 4.630 4.350 0.001 0.000 0.208 485 E C -0.393 176.194 176.600 -0.022 0.000 0.996 485 E CA -0.441 55.960 56.400 0.001 0.000 1.104 485 E CB 0.173 29.869 29.700 -0.006 0.000 1.111 485 E HN 0.390 nan 8.360 nan 0.000 0.455 486 T N -3.507 111.042 114.554 -0.009 0.000 2.923 486 T HA 0.256 4.607 4.350 0.001 0.000 0.311 486 T C 0.137 174.879 174.700 0.070 0.000 1.183 486 T CA -0.854 61.243 62.100 -0.005 0.000 1.020 486 T CB 1.084 69.896 68.868 -0.093 0.000 1.165 486 T HN 0.030 nan 8.240 nan 0.000 0.482 487 F N 2.660 122.611 119.950 0.001 0.000 2.043 487 F HA -0.078 4.449 4.527 0.001 0.000 0.297 487 F C 2.663 178.439 175.800 -0.040 0.000 1.118 487 F CA 2.756 60.756 58.000 0.000 0.000 1.202 487 F CB -0.820 38.221 39.000 0.069 0.000 0.965 487 F HN 0.832 nan 8.300 nan 0.000 0.482 488 A N -0.212 122.695 122.820 0.145 0.000 2.084 488 A HA -0.074 4.247 4.320 0.001 0.000 0.221 488 A C 2.028 179.665 177.584 0.088 0.000 1.161 488 A CA 1.658 53.742 52.037 0.079 0.000 0.653 488 A CB -1.441 17.446 19.000 -0.188 0.000 0.802 488 A HN 0.570 nan 8.150 nan 0.000 0.457 489 A N -1.312 121.513 122.820 0.009 0.000 2.345 489 A HA 0.331 4.652 4.320 0.001 0.000 0.225 489 A C 1.475 179.117 177.584 0.096 0.000 1.243 489 A CA 0.067 52.142 52.037 0.064 0.000 0.875 489 A CB -0.003 19.012 19.000 0.026 0.000 0.929 489 A HN 0.477 nan 8.150 nan 0.000 0.502 490 R N -1.340 119.158 120.500 -0.003 0.000 2.566 490 R HA 0.202 4.542 4.340 0.001 0.000 0.388 490 R C 0.678 176.986 176.300 0.014 0.000 0.989 490 R CA 0.117 56.251 56.100 0.056 0.000 1.164 490 R CB 0.453 30.745 30.300 -0.013 0.000 1.459 490 R HN 0.237 nan 8.270 nan 0.000 0.553 491 V N 0.821 120.647 119.914 -0.145 0.000 2.379 491 V HA -0.164 3.957 4.120 0.001 0.000 0.245 491 V C 2.403 178.528 176.094 0.052 0.000 1.044 491 V CA 2.345 64.555 62.300 -0.151 0.000 1.036 491 V CB -0.289 31.241 31.823 -0.489 0.000 0.664 491 V HN 0.398 nan 8.190 nan 0.000 0.453 492 A N 0.536 123.420 122.820 0.107 0.000 1.969 492 A HA -0.041 4.280 4.320 0.001 0.000 0.218 492 A C 2.379 179.999 177.584 0.060 0.000 1.169 492 A CA 1.753 53.850 52.037 0.099 0.000 0.635 492 A CB -1.062 18.030 19.000 0.153 0.000 0.810 492 A HN 0.521 nan 8.150 nan 0.000 0.445 493 G N -0.929 107.938 108.800 0.112 0.000 2.408 493 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 493 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 493 G C 1.898 176.541 174.900 -0.429 0.000 1.150 493 G CA 1.396 46.506 45.100 0.018 0.000 0.776 493 G HN 0.550 nan 8.290 nan 0.000 0.542 494 S N -0.294 115.328 115.700 -0.130 0.000 2.382 494 S HA -0.050 4.421 4.470 0.001 0.000 0.228 494 S C 2.370 176.984 174.600 0.023 0.000 1.027 494 S CA 0.784 58.948 58.200 -0.060 0.000 0.991 494 S CB -0.189 63.210 63.200 0.332 0.000 0.823 494 S HN 0.088 nan 8.310 nan 0.000 0.469 495 L N 2.592 123.809 121.223 -0.010 0.000 2.017 495 L HA -0.006 4.335 4.340 0.001 0.000 0.208 495 L C 2.331 179.160 176.870 -0.068 0.000 1.073 495 L CA 1.585 56.397 54.840 -0.048 0.000 0.745 495 L CB -1.960 40.062 42.059 -0.061 0.000 0.894 495 L HN 0.335 nan 8.230 nan 0.000 0.432 496 N N -1.022 117.624 118.700 -0.091 0.000 2.043 496 N HA -0.238 4.503 4.740 0.001 0.000 0.193 496 N C 1.924 177.377 175.510 -0.095 0.000 1.037 496 N CA 1.368 54.367 53.050 -0.085 0.000 0.851 496 N CB -0.453 37.987 38.487 -0.078 0.000 1.027 496 N HN 0.406 nan 8.380 nan 0.000 0.422 497 H N 0.833 119.672 119.070 -0.386 0.000 2.265 497 H HA -0.094 4.463 4.556 0.002 0.000 0.295 497 H C 1.475 176.604 175.328 -0.332 0.000 1.084 497 H CA 2.052 57.826 56.048 -0.456 0.000 1.261 497 H CB -0.724 28.492 29.762 -0.910 0.000 1.360 497 H HN 0.391 nan 8.280 nan 0.000 0.487 498 H N -1.128 117.789 119.070 -0.255 0.000 2.521 498 H HA -0.007 4.550 4.556 0.002 0.000 0.286 498 H C 1.980 177.224 175.328 -0.139 0.000 1.034 498 H CA 0.760 56.661 56.048 -0.245 0.000 1.278 498 H CB 0.202 29.826 29.762 -0.230 0.000 1.386 498 H HN 0.209 nan 8.280 nan 0.000 0.567 499 L N -1.202 120.007 121.223 -0.024 0.000 2.209 499 L HA 0.200 4.541 4.340 0.001 0.000 0.207 499 L C 1.809 178.674 176.870 -0.007 0.000 1.094 499 L CA 1.660 56.482 54.840 -0.030 0.000 0.790 499 L CB -0.128 41.908 42.059 -0.039 0.000 0.932 499 L HN 0.455 nan 8.230 nan 0.000 0.447 500 G N -1.408 107.390 108.800 -0.003 0.000 2.183 500 G HA2 -0.183 3.778 3.960 0.001 0.000 0.168 500 G HA3 -0.183 3.778 3.960 0.001 0.000 0.168 500 G C 0.387 175.286 174.900 -0.001 0.000 1.008 500 G CA 0.052 45.158 45.100 0.009 0.000 0.677 500 G HN 0.184 nan 8.290 nan 0.000 0.498 501 L N 1.834 123.050 121.223 -0.013 0.000 2.990 501 L HA 0.291 4.632 4.340 0.001 0.000 0.231 501 L C 1.174 178.027 176.870 -0.029 0.000 1.341 501 L CA -0.497 54.332 54.840 -0.018 0.000 1.208 501 L CB 0.100 42.149 42.059 -0.018 0.000 1.571 501 L HN 0.086 nan 8.230 nan 0.000 0.453 502 D N 0.941 121.318 120.400 -0.038 0.000 2.265 502 D HA -0.190 4.451 4.640 0.001 0.000 0.208 502 D C 1.784 178.068 176.300 -0.027 0.000 0.977 502 D CA 1.132 55.097 54.000 -0.058 0.000 0.871 502 D CB 0.325 41.076 40.800 -0.082 0.000 0.925 502 D HN 0.599 nan 8.370 nan 0.000 0.485 503 E N 0.587 120.778 120.200 -0.016 0.000 2.338 503 E HA -0.147 4.203 4.350 0.001 0.000 0.197 503 E C 1.571 178.172 176.600 0.002 0.000 1.007 503 E CA 0.516 56.912 56.400 -0.006 0.000 0.849 503 E CB -0.233 29.464 29.700 -0.006 0.000 0.774 503 E HN 0.251 nan 8.360 nan 0.000 0.506 504 M N 0.883 120.485 119.600 0.003 0.000 2.561 504 M HA 0.119 4.600 4.480 0.001 0.000 0.238 504 M C -0.042 176.289 176.300 0.052 0.000 1.131 504 M CA 0.187 55.498 55.300 0.018 0.000 1.046 504 M CB -0.545 32.064 32.600 0.015 0.000 1.532 504 M HN -0.100 nan 8.290 nan 0.000 0.497 505 N N 1.898 120.625 118.700 0.045 0.000 2.801 505 N HA 0.261 5.002 4.740 0.001 0.000 0.235 505 N C -0.183 175.380 175.510 0.088 0.000 1.069 505 N CA -0.062 53.039 53.050 0.084 0.000 0.946 505 N CB 0.972 39.504 38.487 0.075 0.000 1.212 505 N HN 0.074 nan 8.380 nan 0.000 0.509 506 V N -0.795 119.185 119.914 0.110 0.000 3.295 506 V HA 0.635 4.755 4.120 0.001 0.000 0.308 506 V C 1.291 177.436 176.094 0.085 0.000 1.068 506 V CA -0.429 61.927 62.300 0.094 0.000 1.062 506 V CB 0.913 32.801 31.823 0.110 0.000 1.162 506 V HN 0.345 nan 8.190 nan 0.000 0.456 507 A N 0.711 123.567 122.820 0.060 0.000 2.081 507 A HA 0.343 4.664 4.320 0.001 0.000 0.214 507 A C 0.598 178.188 177.584 0.010 0.000 1.158 507 A CA 1.190 53.247 52.037 0.033 0.000 0.724 507 A CB -0.855 18.158 19.000 0.021 0.000 0.826 507 A HN 1.279 nan 8.150 nan 0.000 0.463 508 D N -4.258 116.158 120.400 0.026 0.000 2.769 508 D HA 0.170 4.811 4.640 0.001 0.000 0.309 508 D C -0.563 175.757 176.300 0.033 0.000 1.315 508 D CA -0.331 53.659 54.000 -0.016 0.000 0.780 508 D CB -0.356 40.429 40.800 -0.025 0.000 1.312 508 D HN -0.207 nan 8.370 nan 0.000 0.437 509 D N -0.124 120.263 120.400 -0.023 0.000 2.116 509 D HA -0.135 4.506 4.640 0.001 0.000 0.193 509 D C 2.073 178.446 176.300 0.122 0.000 0.998 509 D CA 2.734 56.749 54.000 0.026 0.000 0.836 509 D CB -0.661 40.117 40.800 -0.037 0.000 0.951 509 D HN 0.514 nan 8.370 nan 0.000 0.449 510 A N 0.852 123.712 122.820 0.067 0.000 1.883 510 A HA -0.118 4.203 4.320 0.001 0.000 0.217 510 A C 2.299 179.930 177.584 0.078 0.000 1.186 510 A CA 2.640 54.715 52.037 0.063 0.000 0.624 510 A CB -0.868 18.152 19.000 0.034 0.000 0.822 510 A HN 0.262 nan 8.150 nan 0.000 0.444 511 A N -1.800 121.068 122.820 0.081 0.000 2.014 511 A HA 0.072 4.393 4.320 0.001 0.000 0.218 511 A C 1.990 179.637 177.584 0.104 0.000 1.163 511 A CA 1.371 53.452 52.037 0.073 0.000 0.652 511 A CB -0.606 18.432 19.000 0.062 0.000 0.808 511 A HN 0.648 nan 8.150 nan 0.000 0.449 512 F N 0.737 120.685 119.950 -0.003 0.000 2.084 512 F HA -0.141 4.387 4.527 0.001 0.000 0.296 512 F C 2.200 178.004 175.800 0.008 0.000 1.111 512 F CA 2.084 60.087 58.000 0.004 0.000 1.224 512 F CB -0.258 38.741 39.000 -0.001 0.000 0.991 512 F HN 0.024 nan 8.300 nan 0.000 0.471 513 V N 0.762 120.781 119.914 0.175 0.000 2.407 513 V HA -0.293 3.828 4.120 0.001 0.000 0.248 513 V C 2.715 178.791 176.094 -0.031 0.000 1.055 513 V CA 1.605 63.939 62.300 0.057 0.000 1.049 513 V CB -1.764 30.124 31.823 0.108 0.000 0.662 513 V HN 0.502 nan 8.190 nan 0.000 0.455 514 A N 0.416 123.232 122.820 -0.007 0.000 1.841 514 A HA -0.305 4.016 4.320 0.001 0.000 0.216 514 A C 2.267 179.819 177.584 -0.054 0.000 1.199 514 A CA 2.499 54.523 52.037 -0.020 0.000 0.621 514 A CB -0.626 18.374 19.000 -0.001 0.000 0.835 514 A HN 0.460 nan 8.150 nan 0.000 0.445 515 K N -0.172 120.183 120.400 -0.076 0.000 2.103 515 K HA -0.076 4.245 4.320 0.001 0.000 0.207 515 K C 1.996 178.517 176.600 -0.131 0.000 1.048 515 K CA 1.658 57.888 56.287 -0.094 0.000 0.930 515 K CB -0.486 31.954 32.500 -0.100 0.000 0.716 515 K HN 0.397 nan 8.250 nan 0.000 0.444 516 A N -0.167 122.525 122.820 -0.213 0.000 1.873 516 A HA -0.105 4.216 4.320 0.001 0.000 0.215 516 A C 2.279 179.797 177.584 -0.110 0.000 1.186 516 A CA 1.819 53.729 52.037 -0.211 0.000 0.616 516 A CB -0.766 18.043 19.000 -0.319 0.000 0.823 516 A HN 0.117 nan 8.150 nan 0.000 0.442 517 V N -0.062 119.801 119.914 -0.085 0.000 2.490 517 V HA -0.226 3.895 4.120 0.001 0.000 0.250 517 V C 2.988 179.058 176.094 -0.040 0.000 1.061 517 V CA 1.828 64.098 62.300 -0.049 0.000 1.064 517 V CB -1.244 30.559 31.823 -0.033 0.000 0.670 517 V HN 0.624 nan 8.190 nan 0.000 0.461 518 A N -0.213 122.582 122.820 -0.042 0.000 1.855 518 A HA -0.142 4.179 4.320 0.001 0.000 0.215 518 A C 2.111 179.678 177.584 -0.028 0.000 1.191 518 A CA 1.668 53.687 52.037 -0.031 0.000 0.613 518 A CB -0.610 18.372 19.000 -0.029 0.000 0.829 518 A HN 0.391 nan 8.150 nan 0.000 0.442 519 L N -0.373 120.830 121.223 -0.033 0.000 2.083 519 L HA -0.087 4.254 4.340 0.001 0.000 0.209 519 L C 2.855 179.714 176.870 -0.017 0.000 1.083 519 L CA 1.853 56.681 54.840 -0.020 0.000 0.752 519 L CB -0.955 41.092 42.059 -0.020 0.000 0.899 519 L HN 0.415 nan 8.230 nan 0.000 0.433 520 A N -2.210 120.593 122.820 -0.028 0.000 1.929 520 A HA -0.114 4.207 4.320 0.001 0.000 0.216 520 A C 2.443 180.012 177.584 -0.025 0.000 1.176 520 A CA 1.644 53.666 52.037 -0.026 0.000 0.628 520 A CB -0.540 18.440 19.000 -0.033 0.000 0.816 520 A HN 0.406 nan 8.150 nan 0.000 0.444 521 S N -0.401 115.284 115.700 -0.025 0.000 2.406 521 S HA -0.057 4.414 4.470 0.001 0.000 0.228 521 S C 0.630 175.217 174.600 -0.021 0.000 1.020 521 S CA 0.812 58.998 58.200 -0.022 0.000 0.965 521 S CB -0.112 63.076 63.200 -0.021 0.000 0.798 521 S HN 0.620 nan 8.310 nan 0.000 0.488 522 D N 1.239 121.627 120.400 -0.020 0.000 2.473 522 D HA 0.228 4.869 4.640 0.001 0.000 0.226 522 D C -1.819 174.468 176.300 -0.021 0.000 1.089 522 D CA -2.361 51.628 54.000 -0.018 0.000 0.883 522 D CB 1.458 42.249 40.800 -0.014 0.000 1.029 522 D HN 0.053 nan 8.370 nan 0.000 0.517 523 P HA -0.075 nan 4.420 nan 0.000 0.226 523 P C 1.025 178.304 177.300 -0.035 0.000 1.153 523 P CA 0.420 63.498 63.100 -0.037 0.000 0.777 523 P CB 0.402 32.078 31.700 -0.040 0.000 0.794 524 A N 0.698 123.503 122.820 -0.024 0.000 1.930 524 A HA 0.047 4.368 4.320 0.001 0.000 0.217 524 A C 2.469 180.046 177.584 -0.012 0.000 1.175 524 A CA 1.738 53.763 52.037 -0.019 0.000 0.627 524 A CB -1.333 17.658 19.000 -0.014 0.000 0.815 524 A HN 0.235 nan 8.150 nan 0.000 0.443 525 A N -0.320 122.495 122.820 -0.008 0.000 1.873 525 A HA 0.027 4.348 4.320 0.001 0.000 0.215 525 A C 2.179 179.775 177.584 0.020 0.000 1.186 525 A CA 1.294 53.334 52.037 0.004 0.000 0.616 525 A CB -0.602 18.398 19.000 0.001 0.000 0.823 525 A HN 0.444 nan 8.150 nan 0.000 0.442 526 L N -0.550 120.679 121.223 0.010 0.000 1.989 526 L HA -0.207 4.134 4.340 0.001 0.000 0.211 526 L C 2.809 179.696 176.870 0.028 0.000 1.071 526 L CA 2.149 57.010 54.840 0.034 0.000 0.749 526 L CB -0.733 41.309 42.059 -0.029 0.000 0.890 526 L HN 0.383 nan 8.230 nan 0.000 0.431 527 T N -0.355 114.164 114.554 -0.057 0.000 2.759 527 T HA -0.198 4.153 4.350 0.001 0.000 0.269 527 T C 1.812 176.527 174.700 0.026 0.000 1.042 527 T CA 1.281 63.341 62.100 -0.067 0.000 1.140 527 T CB -0.205 68.625 68.868 -0.063 0.000 0.864 527 T HN 0.504 nan 8.240 nan 0.000 0.455 528 A N 0.980 123.818 122.820 0.030 0.000 1.930 528 A HA 0.033 4.353 4.320 0.001 0.000 0.217 528 A C 2.199 179.821 177.584 0.063 0.000 1.175 528 A CA 1.102 53.161 52.037 0.037 0.000 0.627 528 A CB -0.672 18.341 19.000 0.021 0.000 0.815 528 A HN 0.420 nan 8.150 nan 0.000 0.443 529 L N -0.975 120.306 121.223 0.096 0.000 2.093 529 L HA -0.100 4.241 4.340 0.001 0.000 0.208 529 L C 2.185 179.120 176.870 0.108 0.000 1.085 529 L CA 2.209 57.107 54.840 0.096 0.000 0.755 529 L CB -0.755 41.367 42.059 0.105 0.000 0.904 529 L HN 0.493 nan 8.230 nan 0.000 0.435 530 H N -0.562 118.506 119.070 -0.003 0.000 2.357 530 H HA 0.061 4.618 4.556 0.001 0.000 0.301 530 H C 2.198 177.518 175.328 -0.014 0.000 1.082 530 H CA 1.376 57.419 56.048 -0.008 0.000 1.342 530 H CB -0.463 29.295 29.762 -0.006 0.000 1.389 530 H HN 0.460 nan 8.280 nan 0.000 0.511 531 A N 0.500 123.389 122.820 0.116 0.000 1.969 531 A HA -0.166 4.155 4.320 0.001 0.000 0.218 531 A C 2.311 179.912 177.584 0.027 0.000 1.169 531 A CA 1.600 53.668 52.037 0.051 0.000 0.635 531 A CB -0.407 18.615 19.000 0.037 0.000 0.810 531 A HN 0.363 nan 8.150 nan 0.000 0.445 532 R N -0.608 119.909 120.500 0.028 0.000 2.093 532 R HA -0.016 4.324 4.340 0.001 0.000 0.224 532 R C 1.787 178.090 176.300 0.004 0.000 1.101 532 R CA 1.355 57.464 56.100 0.014 0.000 0.979 532 R CB -0.247 30.062 30.300 0.015 0.000 0.877 532 R HN 0.274 nan 8.270 nan 0.000 0.441 533 V N 1.257 121.165 119.914 -0.011 0.000 2.358 533 V HA -0.218 3.903 4.120 0.001 0.000 0.246 533 V C 1.768 177.854 176.094 -0.012 0.000 1.047 533 V CA 2.197 64.483 62.300 -0.024 0.000 1.035 533 V CB -0.510 31.265 31.823 -0.081 0.000 0.658 533 V HN 0.413 nan 8.190 nan 0.000 0.452 534 D N -0.332 120.052 120.400 -0.026 0.000 2.182 534 D HA -0.148 4.493 4.640 0.001 0.000 0.201 534 D C 1.892 178.186 176.300 -0.011 0.000 0.986 534 D CA 1.306 55.283 54.000 -0.037 0.000 0.847 534 D CB 0.063 40.841 40.800 -0.038 0.000 0.942 534 D HN 0.268 nan 8.370 nan 0.000 0.467 535 V N -0.148 119.769 119.914 0.005 0.000 2.273 535 V HA -0.143 3.978 4.120 0.001 0.000 0.242 535 V C 2.333 178.445 176.094 0.032 0.000 1.035 535 V CA 0.845 63.154 62.300 0.015 0.000 1.013 535 V CB -0.486 31.345 31.823 0.013 0.000 0.652 535 V HN 0.192 nan 8.190 nan 0.000 0.452 536 L N 0.200 121.442 121.223 0.032 0.000 2.129 536 L HA -0.171 4.170 4.340 0.001 0.000 0.212 536 L C 2.506 179.426 176.870 0.083 0.000 1.087 536 L CA 1.890 56.755 54.840 0.043 0.000 0.757 536 L CB -1.107 40.969 42.059 0.029 0.000 0.896 536 L HN 0.307 nan 8.230 nan 0.000 0.434 537 R N -0.292 120.274 120.500 0.110 0.000 2.083 537 R HA -0.167 4.174 4.340 0.001 0.000 0.237 537 R C 2.361 178.802 176.300 0.235 0.000 1.137 537 R CA 1.620 57.858 56.100 0.229 0.000 0.951 537 R CB -0.065 30.317 30.300 0.135 0.000 0.851 537 R HN 0.231 nan 8.270 nan 0.000 0.434 538 R N -0.884 119.692 120.500 0.127 0.000 2.161 538 R HA 0.122 4.463 4.340 0.001 0.000 0.213 538 R C 2.029 178.393 176.300 0.107 0.000 1.055 538 R CA 0.958 57.131 56.100 0.121 0.000 0.996 538 R CB 0.112 30.450 30.300 0.064 0.000 0.901 538 R HN 0.258 nan 8.270 nan 0.000 0.456 539 A N 0.278 123.144 122.820 0.077 0.000 2.030 539 A HA 0.062 4.383 4.320 0.001 0.000 0.215 539 A C 1.143 178.751 177.584 0.039 0.000 1.164 539 A CA 0.214 52.279 52.037 0.048 0.000 0.697 539 A CB 0.104 19.123 19.000 0.031 0.000 0.827 539 A HN 0.221 nan 8.150 nan 0.000 0.457 540 S N -1.129 114.606 115.700 0.058 0.000 2.632 540 S HA 0.444 4.915 4.470 0.001 0.000 0.271 540 S C 1.348 175.977 174.600 0.048 0.000 1.260 540 S CA 0.073 58.294 58.200 0.035 0.000 1.010 540 S CB 1.336 64.548 63.200 0.019 0.000 0.965 540 S HN 0.450 nan 8.310 nan 0.000 0.534 541 G N 1.647 110.459 108.800 0.021 0.000 2.448 541 G HA2 -0.078 3.883 3.960 0.001 0.000 0.218 541 G HA3 -0.078 3.883 3.960 0.001 0.000 0.218 541 G C 1.295 176.231 174.900 0.060 0.000 1.135 541 G CA 0.682 45.811 45.100 0.048 0.000 0.784 541 G HN 0.670 nan 8.290 nan 0.000 0.543 542 V N 0.229 120.102 119.914 -0.069 0.000 2.357 542 V HA -0.202 3.919 4.120 0.001 0.000 0.257 542 V C 1.692 177.569 176.094 -0.361 0.000 1.082 542 V CA 1.487 63.616 62.300 -0.286 0.000 1.078 542 V CB -0.507 30.987 31.823 -0.548 0.000 0.663 542 V HN 0.360 nan 8.190 nan 0.000 0.455 543 F N -1.673 118.364 119.950 0.146 0.000 2.772 543 F HA 0.353 4.881 4.527 0.002 0.000 0.302 543 F C 0.817 176.697 175.800 0.134 0.000 1.136 543 F CA -0.711 57.363 58.000 0.124 0.000 1.322 543 F CB -0.179 39.001 39.000 0.300 0.000 0.967 543 F HN 0.150 nan 8.300 nan 0.000 0.513 544 H N 1.638 120.817 119.070 0.181 0.000 2.628 544 H HA 0.196 4.753 4.556 0.001 0.000 0.250 544 H C 1.153 176.553 175.328 0.121 0.000 1.442 544 H CA -0.129 56.003 56.048 0.139 0.000 1.282 544 H CB 0.659 30.490 29.762 0.116 0.000 1.487 544 H HN 0.005 nan 8.280 nan 0.000 0.544 545 M N 1.762 121.334 119.600 -0.047 0.000 2.358 545 M HA -0.121 4.360 4.480 0.001 0.000 0.264 545 M C 1.139 177.435 176.300 -0.007 0.000 1.064 545 M CA 0.760 56.033 55.300 -0.044 0.000 1.093 545 M CB -0.514 31.987 32.600 -0.165 0.000 1.401 545 M HN 0.459 nan 8.290 nan 0.000 0.440 546 D N 0.036 120.352 120.400 -0.140 0.000 2.117 546 D HA -0.047 4.594 4.640 0.001 0.000 0.198 546 D C 2.118 178.502 176.300 0.141 0.000 0.982 546 D CA 1.578 55.552 54.000 -0.042 0.000 0.828 546 D CB -0.491 40.227 40.800 -0.137 0.000 0.967 546 D HN 0.427 nan 8.370 nan 0.000 0.464 547 G N -0.398 108.602 108.800 0.334 0.000 2.408 547 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 547 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 547 G C 1.548 176.575 174.900 0.212 0.000 1.150 547 G CA 0.106 45.400 45.100 0.322 0.000 0.776 547 G HN 0.247 nan 8.290 nan 0.000 0.542 548 F N 2.065 122.067 119.950 0.087 0.000 2.102 548 F HA 0.015 4.542 4.527 0.001 0.000 0.298 548 F C 2.922 178.760 175.800 0.065 0.000 1.105 548 F CA 1.414 59.438 58.000 0.040 0.000 1.239 548 F CB 0.001 38.983 39.000 -0.030 0.000 0.991 548 F HN 0.232 nan 8.300 nan 0.000 0.474 549 A N -0.166 122.856 122.820 0.337 0.000 1.948 549 A HA -0.235 4.086 4.320 0.001 0.000 0.220 549 A C 1.918 179.635 177.584 0.221 0.000 1.177 549 A CA 2.187 54.381 52.037 0.262 0.000 0.636 549 A CB -0.875 18.210 19.000 0.141 0.000 0.815 549 A HN 0.459 nan 8.150 nan 0.000 0.449 550 D N -0.537 119.956 120.400 0.154 0.000 2.120 550 D HA -0.105 4.536 4.640 0.001 0.000 0.202 550 D C 1.620 177.957 176.300 0.062 0.000 0.972 550 D CA 1.410 55.470 54.000 0.100 0.000 0.837 550 D CB -0.470 40.380 40.800 0.084 0.000 0.989 550 D HN 0.405 nan 8.370 nan 0.000 0.469 551 D N 0.081 120.498 120.400 0.028 0.000 2.092 551 D HA -0.184 4.457 4.640 0.001 0.000 0.193 551 D C 1.932 178.212 176.300 -0.034 0.000 0.994 551 D CA 0.607 54.580 54.000 -0.045 0.000 0.828 551 D CB -0.369 40.343 40.800 -0.147 0.000 0.963 551 D HN 0.049 nan 8.370 nan 0.000 0.450 552 F N 0.881 120.733 119.950 -0.163 0.000 2.095 552 F HA -0.071 4.456 4.527 0.001 0.000 0.298 552 F C 2.238 178.002 175.800 -0.059 0.000 1.104 552 F CA 2.301 60.224 58.000 -0.129 0.000 1.232 552 F CB -0.722 38.275 39.000 -0.004 0.000 0.987 552 F HN 0.033 nan 8.300 nan 0.000 0.475 553 G N -0.490 108.308 108.800 -0.003 0.000 2.418 553 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 553 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 553 G C 1.844 176.674 174.900 -0.116 0.000 1.158 553 G CA 0.909 45.959 45.100 -0.083 0.000 0.771 553 G HN 0.641 nan 8.290 nan 0.000 0.545 554 A N 0.467 123.250 122.820 -0.061 0.000 1.908 554 A HA -0.005 4.316 4.320 0.001 0.000 0.218 554 A C 2.360 179.888 177.584 -0.094 0.000 1.181 554 A CA 1.804 53.813 52.037 -0.045 0.000 0.627 554 A CB -0.461 18.525 19.000 -0.024 0.000 0.818 554 A HN 0.487 nan 8.150 nan 0.000 0.445 555 L N -0.269 120.859 121.223 -0.159 0.000 2.093 555 L HA -0.063 4.277 4.340 0.001 0.000 0.208 555 L C 2.217 178.943 176.870 -0.240 0.000 1.085 555 L CA 1.562 56.287 54.840 -0.192 0.000 0.755 555 L CB -0.501 41.423 42.059 -0.225 0.000 0.904 555 L HN 0.403 nan 8.230 nan 0.000 0.435 556 L N -1.048 119.970 121.223 -0.340 0.000 2.083 556 L HA -0.216 4.124 4.340 0.001 0.000 0.209 556 L C 2.619 179.340 176.870 -0.247 0.000 1.083 556 L CA 1.336 55.984 54.840 -0.320 0.000 0.752 556 L CB -0.570 41.253 42.059 -0.394 0.000 0.899 556 L HN 0.414 nan 8.230 nan 0.000 0.433 557 Q N -0.298 119.392 119.800 -0.183 0.000 2.083 557 Q HA -0.120 4.221 4.340 0.001 0.000 0.198 557 Q C 2.486 178.514 176.000 0.047 0.000 0.969 557 Q CA 1.354 57.100 55.803 -0.095 0.000 0.838 557 Q CB -0.214 28.580 28.738 0.093 0.000 0.900 557 Q HN 0.531 nan 8.270 nan 0.000 0.436 558 A N 1.484 124.309 122.820 0.007 0.000 1.902 558 A HA -0.173 4.148 4.320 0.001 0.000 0.217 558 A C 2.054 179.638 177.584 0.001 0.000 1.181 558 A CA 0.960 53.009 52.037 0.021 0.000 0.623 558 A CB -0.787 18.201 19.000 -0.020 0.000 0.818 558 A HN 0.368 nan 8.150 nan 0.000 0.443 559 L N -0.774 120.405 121.223 -0.074 0.000 2.042 559 L HA -0.217 4.124 4.340 0.001 0.000 0.210 559 L C 2.900 179.789 176.870 0.031 0.000 1.076 559 L CA 1.731 56.513 54.840 -0.096 0.000 0.749 559 L CB -0.599 41.328 42.059 -0.220 0.000 0.893 559 L HN 0.457 nan 8.230 nan 0.000 0.432 560 A N -0.196 122.610 122.820 -0.024 0.000 1.877 560 A HA -0.224 4.097 4.320 0.001 0.000 0.216 560 A C 2.247 179.983 177.584 0.254 0.000 1.186 560 A CA 1.385 53.432 52.037 0.017 0.000 0.620 560 A CB -0.541 18.258 19.000 -0.335 0.000 0.822 560 A HN 0.397 nan 8.150 nan 0.000 0.443 561 R N -0.962 119.725 120.500 0.312 0.000 2.127 561 R HA -0.125 4.216 4.340 0.001 0.000 0.238 561 R C 2.324 178.710 176.300 0.144 0.000 1.134 561 R CA 1.456 57.727 56.100 0.285 0.000 0.975 561 R CB -0.267 30.168 30.300 0.224 0.000 0.865 561 R HN 0.561 nan 8.270 nan 0.000 0.447 562 R N 0.013 120.571 120.500 0.097 0.000 2.280 562 R HA -0.074 4.267 4.340 0.001 0.000 0.207 562 R C 0.522 176.723 176.300 -0.164 0.000 1.043 562 R CA 0.970 57.052 56.100 -0.030 0.000 1.006 562 R CB 0.178 30.445 30.300 -0.054 0.000 0.885 562 R HN 0.347 nan 8.270 nan 0.000 0.467 563 H N -1.884 117.226 119.070 0.067 0.000 2.567 563 H HA 0.217 4.774 4.556 0.001 0.000 0.267 563 H C 0.570 175.951 175.328 0.087 0.000 1.148 563 H CA 0.560 56.649 56.048 0.068 0.000 1.031 563 H CB 1.636 31.436 29.762 0.062 0.000 1.691 563 H HN 0.488 nan 8.280 nan 0.000 0.588 564 G N 0.704 109.601 108.800 0.161 0.000 2.278 564 G HA2 -0.242 3.719 3.960 0.001 0.000 0.210 564 G HA3 -0.242 3.719 3.960 0.001 0.000 0.210 564 G C 0.053 175.069 174.900 0.194 0.000 1.000 564 G CA -0.203 44.983 45.100 0.143 0.000 0.635 564 G HN 0.331 nan 8.290 nan 0.000 0.495 565 W N 1.669 122.992 121.300 0.038 0.000 2.231 565 W HA 0.539 5.199 4.660 0.001 0.000 0.341 565 W C 1.116 177.643 176.519 0.014 0.000 1.298 565 W CA 1.045 58.406 57.345 0.026 0.000 1.266 565 W CB 0.311 29.788 29.460 0.029 0.000 1.172 565 W HN 0.112 nan 8.180 nan 0.000 0.568 566 L N 5.082 125.988 121.223 -0.528 0.000 2.781 566 L HA 0.425 4.766 4.340 0.001 0.000 0.245 566 L C 1.238 177.590 176.870 -0.864 0.000 1.118 566 L CA 0.486 55.023 54.840 -0.505 0.000 0.918 566 L CB -0.481 41.408 42.059 -0.284 0.000 1.246 566 L HN 0.803 nan 8.230 nan 0.000 0.526 567 G N 0.310 108.052 108.800 -1.763 0.000 2.306 567 G HA2 0.034 3.995 3.960 0.001 0.000 0.262 567 G HA3 0.034 3.995 3.960 0.001 0.000 0.262 567 G C -0.451 174.030 174.900 -0.700 0.000 1.263 567 G CA -0.567 43.604 45.100 -1.550 0.000 1.088 567 G HN -0.131 nan 8.290 nan 0.000 0.489 568 I N 0.000 120.397 120.570 -0.289 0.000 2.984 568 I HA 0.000 4.171 4.170 0.001 0.000 0.288 568 I CA 0.000 61.258 61.300 -0.070 0.000 1.566 568 I CB 0.000 37.950 38.000 -0.083 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494