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 3mwp_1_C DATA FIRST_RESID 8 DATA SEQUENCE KSFLWTQSLR RELSGYCSNI KLQVVKDAQA LLHGLDFSEV SNVQRLMRKE DATA SEQUENCE RRDDNDLKRL RDLNQAVNNL VELKSTQQKS ILRVGTLTSD DLLILAADLE DATA SEQUENCE KLKSKVIRTE RPLSAGVYMG NLSSQQLDQR RALLNMIGMX XXXXXXXXXX DATA SEQUENCE DGVVRVWDVK NAELLNNQFG TMPSLTLACL TKQGQVDLND AVQALTDLGL DATA SEQUENCE IYTAKYPNTS DLDRLTQSHP ILNMIDTXXS SLNISGYNFS LGAAVKAGAC DATA SEQUENCE MLDXGNMLET IKVSPQTMDG ILKSILKVKK ALGMFISDTP GERNPYENIL DATA SEQUENCE YKICLSGDGW PYIASRTSIT GRAWENTVVD XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXGLTY SQLMTLKDAM LQLDPNAKTW MDIEGRPEDP VEIALYQPSS DATA SEQUENCE GCYIHFFREP TDLKQFKQDA KYSHGIDVTD LFATQPGLTS AVIDALPRNM DATA SEQUENCE VITCQGSDDI RKLLESQGRK DIKLIDIALS KTDSRKYENA VWDQYKDLCH DATA SEQUENCE MHTGVVVEKX XXXXKEEITP HCALMDCIMF DAAVSGGLXX XVLRAVLPRD DATA SEQUENCE MVFR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.359 176.600 -0.402 0.000 0.988 8 K CA 0.000 56.204 56.287 -0.139 0.000 0.838 8 K CB 0.000 32.391 32.500 -0.182 0.000 1.064 9 S N 0.403 115.863 115.700 -0.401 0.000 2.371 9 S HA -0.014 4.456 4.470 0.001 0.000 0.224 9 S C 1.698 176.246 174.600 -0.086 0.000 1.029 9 S CA 0.890 58.815 58.200 -0.458 0.000 0.978 9 S CB -0.387 62.609 63.200 -0.340 0.000 0.833 9 S HN 0.380 nan 8.310 nan 0.000 0.466 10 F N 1.650 121.569 119.950 -0.052 0.000 2.186 10 F HA 0.038 4.565 4.527 0.001 0.000 0.299 10 F C 1.850 177.698 175.800 0.080 0.000 1.090 10 F CA 0.970 59.007 58.000 0.062 0.000 1.307 10 F CB -0.364 38.693 39.000 0.095 0.000 1.019 10 F HN 0.262 nan 8.300 nan 0.000 0.489 11 L N -0.240 121.082 121.223 0.164 0.000 2.013 11 L HA -0.245 4.096 4.340 0.001 0.000 0.212 11 L C 1.925 178.906 176.870 0.185 0.000 1.073 11 L CA 1.959 56.892 54.840 0.154 0.000 0.753 11 L CB -1.493 40.692 42.059 0.211 0.000 0.890 11 L HN 0.265 nan 8.230 nan 0.000 0.432 12 W N -0.223 121.047 121.300 -0.051 0.000 2.358 12 W HA -0.108 4.552 4.660 0.000 0.000 0.303 12 W C 2.695 179.152 176.519 -0.104 0.000 1.208 12 W CA 1.610 58.918 57.345 -0.060 0.000 1.274 12 W CB -1.777 27.662 29.460 -0.034 0.000 1.138 12 W HN 0.109 nan 8.180 nan 0.000 0.515 13 T N 0.104 114.697 114.554 0.064 0.000 2.720 13 T HA -0.237 4.114 4.350 0.001 0.000 0.268 13 T C 1.793 176.345 174.700 -0.246 0.000 1.037 13 T CA 1.690 63.721 62.100 -0.116 0.000 1.144 13 T CB -0.295 68.427 68.868 -0.243 0.000 0.864 13 T HN 0.218 nan 8.240 nan 0.000 0.444 14 Q N 0.302 119.887 119.800 -0.360 0.000 2.123 14 Q HA -0.032 4.308 4.340 0.001 0.000 0.199 14 Q C 2.715 178.647 176.000 -0.113 0.000 0.966 14 Q CA 1.070 56.701 55.803 -0.286 0.000 0.845 14 Q CB -0.108 28.478 28.738 -0.253 0.000 0.907 14 Q HN 0.429 nan 8.270 nan 0.000 0.439 15 S N 0.960 116.628 115.700 -0.052 0.000 2.383 15 S HA -0.085 4.385 4.470 0.001 0.000 0.227 15 S C 1.973 176.558 174.600 -0.025 0.000 1.026 15 S CA 0.776 58.962 58.200 -0.024 0.000 0.981 15 S CB -0.124 63.071 63.200 -0.009 0.000 0.818 15 S HN 0.274 nan 8.310 nan 0.000 0.472 16 L N 0.868 122.080 121.223 -0.018 0.000 2.056 16 L HA -0.085 4.256 4.340 0.001 0.000 0.207 16 L C 2.712 179.582 176.870 0.000 0.000 1.078 16 L CA 1.167 56.010 54.840 0.005 0.000 0.749 16 L CB -0.409 41.677 42.059 0.045 0.000 0.901 16 L HN 0.211 nan 8.230 nan 0.000 0.433 17 R N -0.348 120.126 120.500 -0.042 0.000 2.094 17 R HA -0.197 4.143 4.340 0.001 0.000 0.239 17 R C 2.477 178.765 176.300 -0.020 0.000 1.137 17 R CA 1.635 57.706 56.100 -0.050 0.000 0.943 17 R CB -0.366 29.869 30.300 -0.108 0.000 0.850 17 R HN 0.313 nan 8.270 nan 0.000 0.433 18 R N 0.248 120.732 120.500 -0.026 0.000 2.082 18 R HA -0.191 4.150 4.340 0.001 0.000 0.234 18 R C 2.315 178.618 176.300 0.005 0.000 1.136 18 R CA 1.769 57.862 56.100 -0.012 0.000 0.935 18 R CB -0.322 29.970 30.300 -0.014 0.000 0.842 18 R HN 0.158 nan 8.270 nan 0.000 0.430 19 E N 0.810 121.018 120.200 0.012 0.000 2.110 19 E HA -0.125 4.226 4.350 0.001 0.000 0.193 19 E C 1.419 178.068 176.600 0.082 0.000 0.988 19 E CA 1.144 57.563 56.400 0.033 0.000 0.804 19 E CB 0.009 29.722 29.700 0.022 0.000 0.745 19 E HN 0.273 nan 8.360 nan 0.000 0.458 20 L N 0.369 121.653 121.223 0.102 0.000 2.653 20 L HA 0.150 4.491 4.340 0.001 0.000 0.231 20 L C 1.942 178.910 176.870 0.164 0.000 1.153 20 L CA 0.452 55.420 54.840 0.213 0.000 0.933 20 L CB -0.107 42.064 42.059 0.188 0.000 1.175 20 L HN 0.127 nan 8.230 nan 0.000 0.473 21 S N 0.205 115.940 115.700 0.059 0.000 2.387 21 S HA -0.200 4.270 4.470 0.001 0.000 0.230 21 S C 2.032 176.619 174.600 -0.020 0.000 1.035 21 S CA 1.481 59.691 58.200 0.016 0.000 1.014 21 S CB -0.822 62.374 63.200 -0.007 0.000 0.836 21 S HN 0.462 nan 8.310 nan 0.000 0.466 22 G N -0.620 108.114 108.800 -0.111 0.000 2.509 22 G HA2 -0.037 3.924 3.960 0.001 0.000 0.218 22 G HA3 -0.037 3.924 3.960 0.001 0.000 0.218 22 G C 0.834 175.547 174.900 -0.311 0.000 1.124 22 G CA 0.573 45.523 45.100 -0.250 0.000 0.776 22 G HN 0.689 nan 8.290 nan 0.000 0.547 23 Y N -0.440 119.866 120.300 0.011 0.000 2.457 23 Y HA 0.332 4.883 4.550 0.001 0.000 0.263 23 Y C 1.228 177.146 175.900 0.031 0.000 1.164 23 Y CA -1.299 56.809 58.100 0.014 0.000 1.274 23 Y CB -0.116 38.351 38.460 0.012 0.000 1.097 23 Y HN 0.017 nan 8.280 nan 0.000 0.523 24 C N 0.838 120.218 119.300 0.133 0.000 2.358 24 C HA 0.770 5.231 4.460 0.001 0.000 0.342 24 C C 0.408 175.449 174.990 0.085 0.000 1.234 24 C CA -0.819 58.267 59.018 0.113 0.000 1.969 24 C CB 0.524 28.311 27.740 0.078 0.000 2.346 24 C HN 0.428 nan 8.230 nan 0.000 0.525 25 S N 1.878 117.642 115.700 0.106 0.000 2.618 25 S HA 0.433 4.903 4.470 0.001 0.000 0.277 25 S C -1.182 173.467 174.600 0.082 0.000 1.138 25 S CA -0.703 57.550 58.200 0.089 0.000 0.844 25 S CB 1.048 64.315 63.200 0.111 0.000 1.127 25 S HN 0.774 nan 8.310 nan 0.000 0.474 26 N N 0.967 119.702 118.700 0.059 0.000 2.452 26 N HA 0.193 4.934 4.740 0.001 0.000 0.266 26 N C 0.308 175.846 175.510 0.047 0.000 1.175 26 N CA -0.023 53.054 53.050 0.045 0.000 0.945 26 N CB 0.294 38.800 38.487 0.031 0.000 1.063 26 N HN 0.796 nan 8.380 nan 0.000 0.472 27 I N 1.112 121.700 120.570 0.030 0.000 4.102 27 I HA 0.173 4.344 4.170 0.001 0.000 0.325 27 I C 1.619 177.719 176.117 -0.029 0.000 1.471 27 I CA -0.578 60.721 61.300 -0.002 0.000 1.133 27 I CB 0.319 38.300 38.000 -0.031 0.000 1.184 27 I HN 0.361 nan 8.210 nan 0.000 0.451 28 K N 2.128 122.522 120.400 -0.010 0.000 2.059 28 K HA -0.166 4.154 4.320 0.001 0.000 0.212 28 K C 1.849 178.437 176.600 -0.019 0.000 1.050 28 K CA 2.234 58.513 56.287 -0.013 0.000 0.927 28 K CB -0.208 32.291 32.500 -0.002 0.000 0.714 28 K HN 0.507 nan 8.250 nan 0.000 0.447 29 L N 0.710 121.925 121.223 -0.013 0.000 2.012 29 L HA -0.259 4.082 4.340 0.001 0.000 0.210 29 L C 2.757 179.611 176.870 -0.026 0.000 1.073 29 L CA 1.713 56.546 54.840 -0.012 0.000 0.748 29 L CB -0.454 41.604 42.059 -0.002 0.000 0.891 29 L HN 0.342 nan 8.230 nan 0.000 0.431 30 Q N -0.859 118.912 119.800 -0.049 0.000 2.119 30 Q HA -0.144 4.196 4.340 0.001 0.000 0.201 30 Q C 2.360 178.300 176.000 -0.099 0.000 0.972 30 Q CA 1.275 57.026 55.803 -0.086 0.000 0.847 30 Q CB -0.107 28.542 28.738 -0.148 0.000 0.903 30 Q HN 0.350 nan 8.270 nan 0.000 0.433 31 V N 0.103 119.959 119.914 -0.096 0.000 2.343 31 V HA -0.219 3.901 4.120 0.001 0.000 0.247 31 V C 2.174 178.243 176.094 -0.041 0.000 1.051 31 V CA 1.344 63.596 62.300 -0.082 0.000 1.036 31 V CB -0.394 31.387 31.823 -0.069 0.000 0.654 31 V HN 0.185 nan 8.190 nan 0.000 0.451 32 V N -0.183 119.716 119.914 -0.026 0.000 2.295 32 V HA -0.282 3.838 4.120 0.001 0.000 0.246 32 V C 2.453 178.551 176.094 0.006 0.000 1.049 32 V CA 2.258 64.554 62.300 -0.006 0.000 1.024 32 V CB -0.665 31.157 31.823 -0.002 0.000 0.648 32 V HN 0.528 nan 8.190 nan 0.000 0.447 33 K N -0.132 120.268 120.400 0.000 0.000 2.044 33 K HA -0.273 4.047 4.320 0.001 0.000 0.210 33 K C 1.879 178.491 176.600 0.020 0.000 1.049 33 K CA 2.195 58.490 56.287 0.014 0.000 0.927 33 K CB -0.272 32.227 32.500 -0.003 0.000 0.713 33 K HN 0.443 nan 8.250 nan 0.000 0.443 34 D N 0.043 120.437 120.400 -0.011 0.000 2.117 34 D HA -0.123 4.517 4.640 0.001 0.000 0.197 34 D C 1.738 178.053 176.300 0.025 0.000 0.987 34 D CA 1.298 55.294 54.000 -0.008 0.000 0.829 34 D CB -0.228 40.541 40.800 -0.053 0.000 0.961 34 D HN 0.339 nan 8.370 nan 0.000 0.460 35 A N 0.788 123.622 122.820 0.023 0.000 1.883 35 A HA -0.258 4.062 4.320 0.001 0.000 0.217 35 A C 2.106 179.724 177.584 0.057 0.000 1.186 35 A CA 1.645 53.709 52.037 0.046 0.000 0.624 35 A CB -0.677 18.340 19.000 0.028 0.000 0.822 35 A HN 0.256 nan 8.150 nan 0.000 0.444 36 Q N -0.616 119.217 119.800 0.054 0.000 2.084 36 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 36 Q C 2.402 178.519 176.000 0.194 0.000 0.978 36 Q CA 1.354 57.199 55.803 0.069 0.000 0.844 36 Q CB -0.431 28.394 28.738 0.145 0.000 0.898 36 Q HN 0.682 nan 8.270 nan 0.000 0.426 37 A N 0.995 123.929 122.820 0.189 0.000 1.933 37 A HA -0.158 4.162 4.320 0.001 0.000 0.218 37 A C 2.074 179.750 177.584 0.154 0.000 1.175 37 A CA 1.130 53.279 52.037 0.186 0.000 0.628 37 A CB -0.607 18.449 19.000 0.093 0.000 0.814 37 A HN 0.280 nan 8.150 nan 0.000 0.444 38 L N -0.982 120.315 121.223 0.124 0.000 2.056 38 L HA -0.124 4.217 4.340 0.001 0.000 0.207 38 L C 2.502 179.529 176.870 0.262 0.000 1.078 38 L CA 0.865 55.786 54.840 0.134 0.000 0.749 38 L CB -0.471 41.670 42.059 0.137 0.000 0.901 38 L HN 0.350 nan 8.230 nan 0.000 0.433 39 L N -1.097 120.255 121.223 0.215 0.000 2.083 39 L HA -0.228 4.113 4.340 0.001 0.000 0.209 39 L C 2.382 179.294 176.870 0.071 0.000 1.083 39 L CA 1.307 56.234 54.840 0.146 0.000 0.752 39 L CB -0.555 41.420 42.059 -0.139 0.000 0.899 39 L HN 0.307 nan 8.230 nan 0.000 0.433 40 H N -1.775 117.381 119.070 0.143 0.000 2.470 40 H HA 0.018 4.574 4.556 0.000 0.000 0.289 40 H C 1.923 177.305 175.328 0.090 0.000 1.033 40 H CA 0.928 57.033 56.048 0.096 0.000 1.331 40 H CB 0.199 29.996 29.762 0.059 0.000 1.414 40 H HN 0.331 nan 8.280 nan 0.000 0.545 41 G N -0.883 108.029 108.800 0.187 0.000 3.215 41 G HA2 0.130 4.090 3.960 0.001 0.000 0.236 41 G HA3 0.130 4.090 3.960 0.001 0.000 0.236 41 G C -0.202 174.712 174.900 0.022 0.000 1.029 41 G CA -0.223 44.936 45.100 0.099 0.000 0.909 41 G HN 0.043 nan 8.290 nan 0.000 0.543 42 L N 1.406 122.609 121.223 -0.034 0.000 2.357 42 L HA 0.559 4.900 4.340 0.001 0.000 0.273 42 L C -0.869 175.836 176.870 -0.275 0.000 1.080 42 L CA -0.790 53.903 54.840 -0.245 0.000 0.803 42 L CB 1.705 43.459 42.059 -0.507 0.000 1.174 42 L HN -0.064 nan 8.230 nan 0.000 0.443 43 D N 2.772 123.024 120.400 -0.247 0.000 2.393 43 D HA 0.076 4.717 4.640 0.001 0.000 0.232 43 D C 0.584 176.764 176.300 -0.200 0.000 1.192 43 D CA 0.132 54.056 54.000 -0.126 0.000 0.882 43 D CB 0.145 40.902 40.800 -0.073 0.000 1.038 43 D HN 0.399 nan 8.370 nan 0.000 0.499 44 F N 1.438 121.396 119.950 0.013 0.000 2.604 44 F HA -0.097 4.432 4.527 0.003 0.000 0.298 44 F C 2.641 178.447 175.800 0.010 0.000 1.131 44 F CA 0.583 58.595 58.000 0.021 0.000 1.457 44 F CB -0.134 38.890 39.000 0.040 0.000 1.095 44 F HN 0.385 nan 8.300 nan 0.000 0.574 45 S N -0.381 115.397 115.700 0.129 0.000 2.402 45 S HA -0.204 4.266 4.470 0.001 0.000 0.229 45 S C 1.941 176.544 174.600 0.006 0.000 1.021 45 S CA 1.337 59.576 58.200 0.065 0.000 0.974 45 S CB -0.267 62.962 63.200 0.049 0.000 0.800 45 S HN 0.332 nan 8.310 nan 0.000 0.484 46 E N 1.305 121.476 120.200 -0.047 0.000 2.158 46 E HA 0.054 4.405 4.350 0.001 0.000 0.191 46 E C 1.877 178.373 176.600 -0.173 0.000 0.982 46 E CA 0.790 57.128 56.400 -0.105 0.000 0.823 46 E CB -0.610 29.013 29.700 -0.129 0.000 0.766 46 E HN 0.353 nan 8.360 nan 0.000 0.468 47 V N 0.340 120.146 119.914 -0.181 0.000 2.252 47 V HA -0.298 3.822 4.120 0.001 0.000 0.249 47 V C 2.430 178.487 176.094 -0.063 0.000 1.056 47 V CA 2.109 64.296 62.300 -0.189 0.000 1.022 47 V CB -0.941 30.890 31.823 0.013 0.000 0.641 47 V HN 0.357 nan 8.190 nan 0.000 0.445 48 S N -0.029 115.692 115.700 0.035 0.000 2.383 48 S HA -0.261 4.209 4.470 0.001 0.000 0.229 48 S C 1.927 176.535 174.600 0.013 0.000 1.030 48 S CA 2.099 60.335 58.200 0.060 0.000 1.002 48 S CB -0.554 62.694 63.200 0.079 0.000 0.829 48 S HN 0.675 nan 8.310 nan 0.000 0.467 49 N N 0.581 119.267 118.700 -0.024 0.000 2.142 49 N HA -0.031 4.710 4.740 0.001 0.000 0.186 49 N C 1.547 177.029 175.510 -0.046 0.000 1.023 49 N CA 1.572 54.603 53.050 -0.031 0.000 0.852 49 N CB -0.451 38.012 38.487 -0.040 0.000 0.998 49 N HN 0.272 nan 8.380 nan 0.000 0.424 50 V N 0.703 120.550 119.914 -0.111 0.000 2.427 50 V HA -0.181 3.939 4.120 0.001 0.000 0.248 50 V C 2.180 178.263 176.094 -0.019 0.000 1.051 50 V CA 1.455 63.688 62.300 -0.113 0.000 1.048 50 V CB -0.565 31.062 31.823 -0.326 0.000 0.666 50 V HN 0.387 nan 8.190 nan 0.000 0.456 51 Q N -0.299 119.500 119.800 -0.002 0.000 2.096 51 Q HA -0.249 4.091 4.340 0.001 0.000 0.204 51 Q C 2.468 178.499 176.000 0.052 0.000 0.982 51 Q CA 1.968 57.809 55.803 0.063 0.000 0.850 51 Q CB -0.317 28.481 28.738 0.100 0.000 0.901 51 Q HN 0.545 nan 8.270 nan 0.000 0.422 52 R N 0.768 121.287 120.500 0.032 0.000 2.083 52 R HA -0.155 4.186 4.340 0.001 0.000 0.237 52 R C 2.111 178.416 176.300 0.009 0.000 1.137 52 R CA 1.224 57.337 56.100 0.021 0.000 0.951 52 R CB -0.247 30.061 30.300 0.014 0.000 0.851 52 R HN 0.256 nan 8.270 nan 0.000 0.434 53 L N 0.173 121.401 121.223 0.009 0.000 2.083 53 L HA -0.175 4.166 4.340 0.001 0.000 0.209 53 L C 2.499 179.359 176.870 -0.016 0.000 1.083 53 L CA 0.943 55.784 54.840 0.000 0.000 0.752 53 L CB -0.318 41.762 42.059 0.034 0.000 0.899 53 L HN 0.294 nan 8.230 nan 0.000 0.433 54 M N -0.810 118.811 119.600 0.036 0.000 2.476 54 M HA -0.079 4.402 4.480 0.001 0.000 0.262 54 M C 2.112 178.413 176.300 0.001 0.000 1.079 54 M CA 1.252 56.582 55.300 0.049 0.000 1.104 54 M CB -0.825 31.859 32.600 0.139 0.000 1.409 54 M HN 0.207 nan 8.290 nan 0.000 0.467 55 R N 0.469 120.970 120.500 0.001 0.000 2.236 55 R HA 0.025 4.366 4.340 0.001 0.000 0.208 55 R C 0.341 176.614 176.300 -0.045 0.000 1.036 55 R CA 0.384 56.478 56.100 -0.010 0.000 1.001 55 R CB 0.051 30.355 30.300 0.007 0.000 0.896 55 R HN 0.375 nan 8.270 nan 0.000 0.464 56 K N 1.068 121.423 120.400 -0.074 0.000 2.401 56 K HA -0.036 4.285 4.320 0.001 0.000 0.278 56 K C 0.620 177.137 176.600 -0.139 0.000 1.018 56 K CA 0.109 56.335 56.287 -0.102 0.000 0.981 56 K CB 0.751 33.178 32.500 -0.123 0.000 0.933 56 K HN 0.087 nan 8.250 nan 0.000 0.477 57 E N 2.044 122.178 120.200 -0.111 0.000 2.106 57 E HA -0.140 4.210 4.350 0.001 0.000 0.192 57 E C -0.119 176.383 176.600 -0.164 0.000 0.984 57 E CA 1.159 57.489 56.400 -0.118 0.000 0.806 57 E CB 0.265 29.917 29.700 -0.080 0.000 0.750 57 E HN 0.322 nan 8.360 nan 0.000 0.458 58 R N 0.313 120.717 120.500 -0.161 0.000 2.513 58 R HA 0.465 4.805 4.340 0.001 0.000 0.301 58 R C -0.840 175.334 176.300 -0.210 0.000 0.968 58 R CA -0.470 55.524 56.100 -0.177 0.000 0.872 58 R CB 1.926 32.169 30.300 -0.095 0.000 1.177 58 R HN -0.108 nan 8.270 nan 0.000 0.444 59 R N 1.091 121.400 120.500 -0.318 0.000 2.750 59 R HA 0.322 4.662 4.340 0.001 0.000 0.281 59 R C -0.827 175.458 176.300 -0.025 0.000 0.972 59 R CA -0.956 54.946 56.100 -0.330 0.000 0.912 59 R CB 1.526 31.259 30.300 -0.947 0.000 1.187 59 R HN 0.656 nan 8.270 nan 0.000 0.464 60 D N -0.742 119.726 120.400 0.113 0.000 2.650 60 D HA 0.144 4.785 4.640 0.001 0.000 0.255 60 D C -0.022 176.440 176.300 0.269 0.000 1.135 60 D CA -0.665 53.453 54.000 0.196 0.000 1.099 60 D CB 0.466 41.329 40.800 0.106 0.000 1.273 60 D HN 0.234 nan 8.370 nan 0.000 0.628 61 D N -1.039 119.473 120.400 0.187 0.000 2.218 61 D HA -0.107 4.534 4.640 0.001 0.000 0.204 61 D C 1.130 177.505 176.300 0.124 0.000 0.976 61 D CA 0.736 54.826 54.000 0.150 0.000 0.853 61 D CB 0.023 40.882 40.800 0.099 0.000 0.939 61 D HN 0.283 nan 8.370 nan 0.000 0.481 62 N N 1.067 119.833 118.700 0.110 0.000 2.188 62 N HA -0.110 4.631 4.740 0.001 0.000 0.184 62 N C 1.270 176.841 175.510 0.103 0.000 1.018 62 N CA 0.755 53.855 53.050 0.083 0.000 0.858 62 N CB -0.166 38.357 38.487 0.060 0.000 0.989 62 N HN 0.258 nan 8.380 nan 0.000 0.426 63 D N 0.679 121.174 120.400 0.158 0.000 2.117 63 D HA -0.104 4.536 4.640 0.001 0.000 0.198 63 D C 2.038 178.514 176.300 0.292 0.000 0.982 63 D CA 0.401 54.527 54.000 0.210 0.000 0.828 63 D CB -0.303 40.622 40.800 0.208 0.000 0.967 63 D HN 0.106 nan 8.370 nan 0.000 0.464 64 L N 1.540 122.971 121.223 0.347 0.000 2.083 64 L HA -0.144 4.196 4.340 0.001 0.000 0.209 64 L C 2.120 179.008 176.870 0.031 0.000 1.083 64 L CA 1.731 56.653 54.840 0.136 0.000 0.752 64 L CB -0.543 41.509 42.059 -0.011 0.000 0.899 64 L HN -0.119 nan 8.230 nan 0.000 0.433 65 K N -1.102 119.325 120.400 0.045 0.000 2.026 65 K HA -0.190 4.130 4.320 0.001 0.000 0.208 65 K C 2.228 178.825 176.600 -0.004 0.000 1.048 65 K CA 1.138 57.431 56.287 0.009 0.000 0.929 65 K CB -0.064 32.447 32.500 0.018 0.000 0.713 65 K HN 0.189 nan 8.250 nan 0.000 0.439 66 R N 0.760 121.269 120.500 0.014 0.000 2.091 66 R HA -0.157 4.183 4.340 0.001 0.000 0.238 66 R C 2.401 178.672 176.300 -0.047 0.000 1.136 66 R CA 1.197 57.288 56.100 -0.016 0.000 0.959 66 R CB -1.010 29.288 30.300 -0.004 0.000 0.856 66 R HN 0.310 nan 8.270 nan 0.000 0.437 67 L N 1.293 122.504 121.223 -0.020 0.000 2.017 67 L HA -0.136 4.205 4.340 0.001 0.000 0.208 67 L C 2.340 179.156 176.870 -0.090 0.000 1.073 67 L CA 1.750 56.555 54.840 -0.058 0.000 0.745 67 L CB -0.366 41.683 42.059 -0.018 0.000 0.894 67 L HN -0.031 nan 8.230 nan 0.000 0.432 68 R N -0.323 120.118 120.500 -0.099 0.000 2.081 68 R HA -0.147 4.193 4.340 0.001 0.000 0.235 68 R C 1.958 178.218 176.300 -0.067 0.000 1.131 68 R CA 1.533 57.573 56.100 -0.100 0.000 0.960 68 R CB -0.579 29.663 30.300 -0.097 0.000 0.856 68 R HN 0.447 nan 8.270 nan 0.000 0.436 69 D N 0.695 121.061 120.400 -0.057 0.000 2.117 69 D HA -0.154 4.487 4.640 0.001 0.000 0.197 69 D C 1.797 178.063 176.300 -0.057 0.000 0.987 69 D CA 0.868 54.838 54.000 -0.050 0.000 0.829 69 D CB -0.186 40.587 40.800 -0.044 0.000 0.961 69 D HN 0.043 nan 8.370 nan 0.000 0.460 70 L N 1.168 122.344 121.223 -0.078 0.000 2.056 70 L HA -0.095 4.245 4.340 0.001 0.000 0.207 70 L C 1.564 178.431 176.870 -0.004 0.000 1.078 70 L CA 1.536 56.319 54.840 -0.094 0.000 0.749 70 L CB -0.619 41.301 42.059 -0.230 0.000 0.901 70 L HN -0.102 nan 8.230 nan 0.000 0.433 71 N N -0.458 118.256 118.700 0.025 0.000 2.149 71 N HA -0.237 4.504 4.740 0.001 0.000 0.188 71 N C 1.842 177.350 175.510 -0.004 0.000 1.019 71 N CA 1.307 54.380 53.050 0.040 0.000 0.857 71 N CB -0.277 38.197 38.487 -0.022 0.000 0.997 71 N HN 0.436 nan 8.380 nan 0.000 0.426 72 Q N 0.848 120.634 119.800 -0.023 0.000 2.124 72 Q HA 0.076 4.416 4.340 0.001 0.000 0.202 72 Q C 1.841 177.829 176.000 -0.021 0.000 0.977 72 Q CA 1.656 57.444 55.803 -0.025 0.000 0.850 72 Q CB -0.451 28.269 28.738 -0.029 0.000 0.901 72 Q HN 0.351 nan 8.270 nan 0.000 0.429 73 A N -0.695 122.109 122.820 -0.027 0.000 1.902 73 A HA -0.128 4.192 4.320 0.001 0.000 0.217 73 A C 2.275 179.843 177.584 -0.026 0.000 1.181 73 A CA 1.627 53.644 52.037 -0.033 0.000 0.623 73 A CB -0.873 18.094 19.000 -0.055 0.000 0.818 73 A HN 0.267 nan 8.150 nan 0.000 0.443 74 V N 0.670 120.576 119.914 -0.014 0.000 2.261 74 V HA -0.288 3.832 4.120 0.001 0.000 0.246 74 V C 2.434 178.521 176.094 -0.012 0.000 1.047 74 V CA 2.424 64.719 62.300 -0.008 0.000 1.015 74 V CB -1.114 30.721 31.823 0.019 0.000 0.642 74 V HN 0.779 nan 8.190 nan 0.000 0.446 75 N N 0.767 119.460 118.700 -0.011 0.000 2.104 75 N HA -0.208 4.532 4.740 0.001 0.000 0.190 75 N C 1.577 177.085 175.510 -0.005 0.000 1.024 75 N CA 1.797 54.841 53.050 -0.009 0.000 0.853 75 N CB -0.263 38.218 38.487 -0.010 0.000 1.008 75 N HN 0.431 nan 8.380 nan 0.000 0.424 76 N N -0.090 118.606 118.700 -0.007 0.000 2.272 76 N HA -0.092 4.648 4.740 0.001 0.000 0.185 76 N C 1.265 176.775 175.510 0.000 0.000 1.014 76 N CA 0.710 53.758 53.050 -0.003 0.000 0.870 76 N CB -0.132 38.351 38.487 -0.007 0.000 0.975 76 N HN 0.396 nan 8.380 nan 0.000 0.433 77 L N 0.043 121.266 121.223 -0.001 0.000 2.477 77 L HA 0.128 4.468 4.340 0.001 0.000 0.220 77 L C 0.623 177.497 176.870 0.006 0.000 1.106 77 L CA -0.056 54.788 54.840 0.007 0.000 0.851 77 L CB 0.205 42.270 42.059 0.010 0.000 0.994 77 L HN -0.039 nan 8.230 nan 0.000 0.462 78 V N -3.915 115.997 119.914 -0.004 0.000 2.834 78 V HA 0.319 4.440 4.120 0.001 0.000 0.313 78 V C 0.565 176.645 176.094 -0.024 0.000 1.060 78 V CA -0.534 61.754 62.300 -0.019 0.000 0.989 78 V CB 1.861 33.663 31.823 -0.034 0.000 1.041 78 V HN 0.126 nan 8.190 nan 0.000 0.459 79 E N 1.617 121.786 120.200 -0.052 0.000 2.389 79 E HA 0.327 4.677 4.350 0.001 0.000 0.199 79 E C 0.241 176.773 176.600 -0.113 0.000 0.978 79 E CA -0.026 56.345 56.400 -0.048 0.000 0.912 79 E CB 0.384 30.061 29.700 -0.039 0.000 0.907 79 E HN 0.659 nan 8.360 nan 0.000 0.494 80 L N 2.759 123.836 121.223 -0.243 0.000 2.462 80 L HA 0.169 4.509 4.340 0.001 0.000 0.283 80 L C -0.174 176.639 176.870 -0.094 0.000 1.166 80 L CA 0.396 54.963 54.840 -0.456 0.000 0.964 80 L CB -0.080 41.621 42.059 -0.596 0.000 1.294 80 L HN -0.132 nan 8.230 nan 0.000 0.449 81 K N 1.647 122.138 120.400 0.153 0.000 2.464 81 K HA 0.476 4.796 4.320 0.001 0.000 0.253 81 K C -0.763 176.024 176.600 0.311 0.000 0.933 81 K CA -0.680 55.722 56.287 0.192 0.000 0.801 81 K CB 2.613 35.185 32.500 0.119 0.000 1.271 81 K HN 0.255 nan 8.250 nan 0.000 0.430 82 S N 0.801 116.617 115.700 0.194 0.000 2.586 82 S HA 0.339 4.809 4.470 0.001 0.000 0.274 82 S C -0.255 174.382 174.600 0.061 0.000 1.281 82 S CA -0.424 57.850 58.200 0.124 0.000 1.035 82 S CB 1.268 64.516 63.200 0.080 0.000 0.962 82 S HN 0.429 nan 8.310 nan 0.000 0.512 83 T N 2.473 117.039 114.554 0.020 0.000 2.859 83 T HA 0.298 4.648 4.350 0.001 0.000 0.281 83 T C -0.190 174.496 174.700 -0.023 0.000 1.005 83 T CA -0.542 61.558 62.100 0.001 0.000 1.025 83 T CB 1.309 70.172 68.868 -0.008 0.000 0.977 83 T HN 0.510 nan 8.240 nan 0.000 0.458 84 Q N 2.456 122.241 119.800 -0.025 0.000 2.247 84 Q HA 0.188 4.528 4.340 0.001 0.000 0.288 84 Q C -0.644 175.329 176.000 -0.044 0.000 1.079 84 Q CA 0.484 56.264 55.803 -0.039 0.000 0.932 84 Q CB 0.259 28.976 28.738 -0.036 0.000 1.133 84 Q HN 0.492 nan 8.270 nan 0.000 0.377 85 Q N 2.945 122.711 119.800 -0.057 0.000 2.567 85 Q HA 0.239 4.580 4.340 0.001 0.000 0.233 85 Q C -1.817 174.143 176.000 -0.068 0.000 0.833 85 Q CA -0.329 55.439 55.803 -0.059 0.000 0.844 85 Q CB 0.805 29.505 28.738 -0.063 0.000 1.423 85 Q HN 0.598 nan 8.270 nan 0.000 0.442 86 K N 1.558 121.922 120.400 -0.060 0.000 2.326 86 K HA 0.551 4.872 4.320 0.001 0.000 0.275 86 K C -0.817 175.749 176.600 -0.057 0.000 1.018 86 K CA 0.056 56.306 56.287 -0.062 0.000 0.962 86 K CB 0.626 33.096 32.500 -0.051 0.000 0.953 86 K HN 0.637 nan 8.250 nan 0.000 0.475 87 S N 3.558 119.223 115.700 -0.060 0.000 2.500 87 S HA 0.488 4.959 4.470 0.001 0.000 0.301 87 S C -0.649 173.928 174.600 -0.039 0.000 1.092 87 S CA -0.764 57.405 58.200 -0.051 0.000 1.030 87 S CB 0.908 64.071 63.200 -0.062 0.000 1.031 87 S HN 0.485 nan 8.310 nan 0.000 0.483 88 I N 3.157 123.709 120.570 -0.030 0.000 2.382 88 I HA 0.354 4.524 4.170 0.001 0.000 0.286 88 I C -0.842 175.263 176.117 -0.019 0.000 1.002 88 I CA -0.500 60.787 61.300 -0.021 0.000 1.135 88 I CB 1.099 39.089 38.000 -0.016 0.000 1.288 88 I HN 0.351 nan 8.210 nan 0.000 0.448 89 L N 7.137 128.351 121.223 -0.015 0.000 2.265 89 L HA 0.556 4.896 4.340 0.001 0.000 0.288 89 L C 0.123 176.989 176.870 -0.007 0.000 1.058 89 L CA -0.433 54.398 54.840 -0.013 0.000 0.809 89 L CB 0.425 42.477 42.059 -0.013 0.000 1.179 89 L HN 0.580 nan 8.230 nan 0.000 0.429 90 R N 1.984 122.480 120.500 -0.007 0.000 2.892 90 R HA 0.571 4.912 4.340 0.001 0.000 0.265 90 R C -0.979 175.319 176.300 -0.003 0.000 1.025 90 R CA -1.166 54.931 56.100 -0.004 0.000 0.982 90 R CB 2.158 32.455 30.300 -0.005 0.000 1.185 90 R HN 0.230 nan 8.270 nan 0.000 0.484 91 V N 1.770 121.684 119.914 -0.001 0.000 2.540 91 V HA 0.207 4.327 4.120 0.001 0.000 0.297 91 V C 0.921 177.014 176.094 -0.001 0.000 1.024 91 V CA 1.448 63.748 62.300 -0.001 0.000 1.105 91 V CB 0.431 32.254 31.823 0.000 0.000 0.938 91 V HN 1.123 nan 8.190 nan 0.000 0.482 92 G N 3.361 112.160 108.800 -0.001 0.000 3.091 92 G HA2 -0.004 3.956 3.960 0.001 0.000 0.137 92 G HA3 -0.004 3.956 3.960 0.001 0.000 0.137 92 G C 0.842 175.743 174.900 0.001 0.000 1.180 92 G CA 0.450 45.550 45.100 -0.000 0.000 1.466 92 G HN 0.414 nan 8.290 nan 0.000 0.704 93 T N 1.643 116.199 114.554 0.002 0.000 2.624 93 T HA -0.056 4.295 4.350 0.001 0.000 0.268 93 T C 1.227 175.930 174.700 0.004 0.000 1.041 93 T CA 1.184 63.287 62.100 0.005 0.000 1.159 93 T CB -0.459 68.413 68.868 0.008 0.000 0.863 93 T HN 0.164 nan 8.240 nan 0.000 0.434 94 L N 2.447 123.670 121.223 0.000 0.000 2.331 94 L HA 0.282 4.622 4.340 0.001 0.000 0.278 94 L C 1.076 177.947 176.870 0.001 0.000 1.106 94 L CA -0.852 53.988 54.840 0.000 0.000 0.824 94 L CB 0.803 42.861 42.059 -0.002 0.000 1.142 94 L HN 0.247 nan 8.230 nan 0.000 0.443 95 T N -1.179 113.376 114.554 0.001 0.000 2.828 95 T HA 0.030 4.381 4.350 0.001 0.000 0.290 95 T C 1.308 176.008 174.700 0.001 0.000 1.019 95 T CA -0.114 61.987 62.100 0.000 0.000 1.031 95 T CB 1.452 70.319 68.868 -0.001 0.000 1.001 95 T HN 0.599 nan 8.240 nan 0.000 0.531 96 S N 0.345 116.046 115.700 0.001 0.000 2.372 96 S HA -0.263 4.208 4.470 0.001 0.000 0.227 96 S C 1.695 176.297 174.600 0.003 0.000 1.044 96 S CA 2.313 60.514 58.200 0.002 0.000 1.050 96 S CB -1.038 62.162 63.200 0.001 0.000 0.901 96 S HN 0.935 nan 8.310 nan 0.000 0.447 97 D N 0.452 120.853 120.400 0.001 0.000 2.117 97 D HA -0.101 4.539 4.640 0.001 0.000 0.197 97 D C 1.621 177.923 176.300 0.004 0.000 0.987 97 D CA 1.518 55.519 54.000 0.002 0.000 0.829 97 D CB -0.352 40.447 40.800 -0.002 0.000 0.961 97 D HN 0.397 nan 8.370 nan 0.000 0.460 98 D N -0.091 120.311 120.400 0.003 0.000 2.133 98 D HA -0.159 4.482 4.640 0.001 0.000 0.195 98 D C 2.256 178.563 176.300 0.013 0.000 0.997 98 D CA 0.660 54.664 54.000 0.007 0.000 0.840 98 D CB -0.309 40.493 40.800 0.004 0.000 0.947 98 D HN 0.340 nan 8.370 nan 0.000 0.452 99 L N 0.205 121.434 121.223 0.010 0.000 2.093 99 L HA -0.112 4.229 4.340 0.001 0.000 0.208 99 L C 2.605 179.485 176.870 0.016 0.000 1.085 99 L CA 0.501 55.348 54.840 0.012 0.000 0.755 99 L CB -0.296 41.768 42.059 0.008 0.000 0.904 99 L HN 0.044 nan 8.230 nan 0.000 0.435 100 L N -0.398 120.833 121.223 0.014 0.000 2.046 100 L HA -0.230 4.110 4.340 0.001 0.000 0.208 100 L C 2.494 179.379 176.870 0.024 0.000 1.077 100 L CA 1.374 56.224 54.840 0.016 0.000 0.747 100 L CB -0.373 41.693 42.059 0.011 0.000 0.896 100 L HN 0.219 nan 8.230 nan 0.000 0.432 101 I N -0.296 120.290 120.570 0.027 0.000 2.179 101 I HA -0.324 3.847 4.170 0.001 0.000 0.242 101 I C 2.456 178.610 176.117 0.062 0.000 1.088 101 I CA 1.383 62.709 61.300 0.043 0.000 1.357 101 I CB -0.273 37.749 38.000 0.037 0.000 1.051 101 I HN 0.209 nan 8.210 nan 0.000 0.409 102 L N 0.546 121.801 121.223 0.054 0.000 2.046 102 L HA -0.211 4.130 4.340 0.001 0.000 0.208 102 L C 2.886 179.783 176.870 0.045 0.000 1.077 102 L CA 1.348 56.222 54.840 0.057 0.000 0.747 102 L CB -0.752 41.331 42.059 0.039 0.000 0.896 102 L HN 0.251 nan 8.230 nan 0.000 0.432 103 A N 0.100 122.941 122.820 0.035 0.000 1.883 103 A HA -0.232 4.088 4.320 0.001 0.000 0.217 103 A C 2.536 180.139 177.584 0.031 0.000 1.186 103 A CA 2.003 54.058 52.037 0.030 0.000 0.624 103 A CB -0.814 18.200 19.000 0.024 0.000 0.822 103 A HN 0.415 nan 8.150 nan 0.000 0.444 104 A N -0.192 122.650 122.820 0.037 0.000 1.877 104 A HA -0.177 4.143 4.320 0.001 0.000 0.216 104 A C 1.795 179.410 177.584 0.052 0.000 1.186 104 A CA 1.948 54.010 52.037 0.041 0.000 0.620 104 A CB -0.633 18.394 19.000 0.045 0.000 0.822 104 A HN 0.451 nan 8.150 nan 0.000 0.443 105 D N -0.055 120.388 120.400 0.072 0.000 2.178 105 D HA -0.071 4.569 4.640 0.001 0.000 0.202 105 D C 1.910 178.224 176.300 0.024 0.000 0.974 105 D CA 0.801 54.846 54.000 0.075 0.000 0.841 105 D CB -0.299 40.581 40.800 0.134 0.000 0.953 105 D HN 0.448 nan 8.370 nan 0.000 0.478 106 L N 0.683 121.923 121.223 0.028 0.000 2.083 106 L HA -0.149 4.192 4.340 0.001 0.000 0.209 106 L C 2.285 179.150 176.870 -0.008 0.000 1.083 106 L CA 1.111 55.974 54.840 0.038 0.000 0.752 106 L CB -0.309 41.791 42.059 0.067 0.000 0.899 106 L HN 0.010 nan 8.230 nan 0.000 0.433 107 E N 0.200 120.386 120.200 -0.023 0.000 2.051 107 E HA -0.234 4.116 4.350 0.001 0.000 0.192 107 E C 2.211 178.758 176.600 -0.088 0.000 0.991 107 E CA 1.231 57.587 56.400 -0.074 0.000 0.799 107 E CB -0.000 29.680 29.700 -0.034 0.000 0.748 107 E HN 0.408 nan 8.360 nan 0.000 0.449 108 K N 0.416 120.805 120.400 -0.017 0.000 2.057 108 K HA -0.154 4.167 4.320 0.001 0.000 0.207 108 K C 2.239 178.829 176.600 -0.016 0.000 1.049 108 K CA 0.804 57.099 56.287 0.014 0.000 0.931 108 K CB -0.173 32.376 32.500 0.082 0.000 0.714 108 K HN 0.042 nan 8.250 nan 0.000 0.440 109 L N 2.028 123.242 121.223 -0.014 0.000 2.093 109 L HA -0.158 4.183 4.340 0.001 0.000 0.208 109 L C 2.269 179.111 176.870 -0.047 0.000 1.085 109 L CA 1.754 56.607 54.840 0.022 0.000 0.755 109 L CB -0.352 41.758 42.059 0.085 0.000 0.904 109 L HN 0.027 nan 8.230 nan 0.000 0.435 110 K N -1.118 119.116 120.400 -0.276 0.000 2.032 110 K HA -0.230 4.090 4.320 0.001 0.000 0.209 110 K C 2.342 178.611 176.600 -0.552 0.000 1.048 110 K CA 1.812 57.554 56.287 -0.908 0.000 0.927 110 K CB -0.404 31.378 32.500 -1.197 0.000 0.712 110 K HN 0.417 nan 8.250 nan 0.000 0.441 111 S N 0.568 116.081 115.700 -0.312 0.000 2.356 111 S HA -0.159 4.312 4.470 0.001 0.000 0.223 111 S C 2.026 176.558 174.600 -0.113 0.000 1.032 111 S CA 1.390 59.473 58.200 -0.195 0.000 1.005 111 S CB -0.268 62.846 63.200 -0.142 0.000 0.867 111 S HN 0.308 nan 8.310 nan 0.000 0.449 112 K N 0.790 121.153 120.400 -0.061 0.000 2.057 112 K HA -0.044 4.276 4.320 0.001 0.000 0.207 112 K C 2.059 178.656 176.600 -0.006 0.000 1.049 112 K CA 1.574 57.854 56.287 -0.011 0.000 0.931 112 K CB -0.686 31.831 32.500 0.028 0.000 0.714 112 K HN 0.375 nan 8.250 nan 0.000 0.440 113 V N 1.817 121.739 119.914 0.014 0.000 2.307 113 V HA -0.247 3.873 4.120 0.001 0.000 0.245 113 V C 2.509 178.641 176.094 0.063 0.000 1.045 113 V CA 1.676 64.011 62.300 0.058 0.000 1.024 113 V CB -0.345 31.598 31.823 0.199 0.000 0.651 113 V HN 0.245 nan 8.190 nan 0.000 0.449 114 I N -0.286 120.308 120.570 0.041 0.000 2.163 114 I HA -0.290 3.881 4.170 0.001 0.000 0.243 114 I C 2.753 178.873 176.117 0.005 0.000 1.085 114 I CA 1.752 63.075 61.300 0.038 0.000 1.347 114 I CB -0.450 37.532 38.000 -0.031 0.000 1.044 114 I HN 0.211 nan 8.210 nan 0.000 0.408 115 R N -0.105 120.381 120.500 -0.024 0.000 2.152 115 R HA -0.118 4.222 4.340 0.001 0.000 0.232 115 R C 2.185 178.478 176.300 -0.011 0.000 1.117 115 R CA 1.769 57.855 56.100 -0.023 0.000 0.981 115 R CB -0.441 29.838 30.300 -0.035 0.000 0.870 115 R HN 0.409 nan 8.270 nan 0.000 0.451 116 T N 0.168 114.717 114.554 -0.008 0.000 2.894 116 T HA -0.024 4.327 4.350 0.001 0.000 0.258 116 T C 1.390 176.081 174.700 -0.015 0.000 1.043 116 T CA 0.990 63.082 62.100 -0.013 0.000 1.141 116 T CB 0.120 68.976 68.868 -0.020 0.000 0.873 116 T HN 0.352 nan 8.240 nan 0.000 0.449 117 E N 0.382 120.577 120.200 -0.007 0.000 2.244 117 E HA 0.183 4.534 4.350 0.001 0.000 0.196 117 E C 2.288 178.893 176.600 0.008 0.000 0.939 117 E CA -0.121 56.269 56.400 -0.017 0.000 0.884 117 E CB 0.114 29.796 29.700 -0.030 0.000 0.850 117 E HN 0.184 nan 8.360 nan 0.000 0.481 118 R N 1.284 121.801 120.500 0.028 0.000 2.091 118 R HA -0.107 4.233 4.340 0.001 0.000 0.238 118 R C -0.744 175.578 176.300 0.037 0.000 1.136 118 R CA 1.548 57.672 56.100 0.039 0.000 0.959 118 R CB -0.735 29.590 30.300 0.043 0.000 0.856 118 R HN 0.047 nan 8.270 nan 0.000 0.437 119 P HA -0.139 nan 4.420 nan 0.000 0.219 119 P C 0.854 178.181 177.300 0.045 0.000 1.146 119 P CA 1.134 64.251 63.100 0.028 0.000 0.808 119 P CB -0.015 31.694 31.700 0.014 0.000 0.779 120 L N -0.824 120.433 121.223 0.056 0.000 2.079 120 L HA -0.206 4.134 4.340 0.001 0.000 0.210 120 L C 2.385 179.356 176.870 0.167 0.000 1.081 120 L CA 2.114 57.014 54.840 0.100 0.000 0.752 120 L CB -0.938 41.201 42.059 0.134 0.000 0.896 120 L HN 0.157 nan 8.230 nan 0.000 0.433 121 S N -1.323 114.469 115.700 0.153 0.000 2.506 121 S HA 0.153 4.624 4.470 0.001 0.000 0.230 121 S C 2.084 176.750 174.600 0.109 0.000 1.066 121 S CA 0.261 58.562 58.200 0.169 0.000 0.940 121 S CB -0.140 63.145 63.200 0.142 0.000 0.818 121 S HN 0.234 nan 8.310 nan 0.000 0.518 122 A N 1.914 124.778 122.820 0.075 0.000 1.929 122 A HA 0.508 4.828 4.320 0.001 0.000 0.216 122 A C 1.527 179.141 177.584 0.050 0.000 1.176 122 A CA 0.957 53.025 52.037 0.052 0.000 0.628 122 A CB -1.358 17.661 19.000 0.032 0.000 0.816 122 A HN 1.740 nan 8.150 nan 0.000 0.444 123 G N -2.732 106.098 108.800 0.050 0.000 2.690 123 G HA2 0.148 4.109 3.960 0.001 0.000 0.686 123 G HA3 0.148 4.109 3.960 0.001 0.000 0.686 123 G C -0.811 174.117 174.900 0.046 0.000 1.277 123 G CA -0.429 44.700 45.100 0.047 0.000 0.799 123 G HN 1.070 nan 8.290 nan 0.000 0.613 124 V N 1.817 121.758 119.914 0.045 0.000 2.531 124 V HA 0.509 4.629 4.120 0.001 0.000 0.301 124 V C 0.016 176.160 176.094 0.083 0.000 1.034 124 V CA -0.891 61.443 62.300 0.055 0.000 0.865 124 V CB 1.664 33.502 31.823 0.024 0.000 0.995 124 V HN 1.027 nan 8.190 nan 0.000 0.424 125 Y N 5.870 126.165 120.300 -0.009 0.000 2.526 125 Y HA 0.244 4.795 4.550 0.000 0.000 0.330 125 Y C 0.787 176.681 175.900 -0.010 0.000 1.156 125 Y CA 0.210 58.304 58.100 -0.009 0.000 1.419 125 Y CB 0.826 39.280 38.460 -0.010 0.000 1.250 125 Y HN 0.560 nan 8.280 nan 0.000 0.540 126 M N 6.159 125.376 119.600 -0.638 0.000 2.625 126 M HA 0.225 4.706 4.480 0.001 0.000 0.396 126 M C 0.741 176.677 176.300 -0.606 0.000 1.174 126 M CA 0.067 55.090 55.300 -0.462 0.000 0.898 126 M CB 0.141 32.604 32.600 -0.227 0.000 1.450 126 M HN 0.872 nan 8.290 nan 0.000 0.522 127 G N 1.399 109.444 108.800 -1.257 0.000 3.287 127 G HA2 -0.017 3.944 3.960 0.001 0.000 0.172 127 G HA3 -0.017 3.944 3.960 0.001 0.000 0.172 127 G C 0.274 175.039 174.900 -0.226 0.000 1.922 127 G CA -0.074 44.607 45.100 -0.698 0.000 0.952 127 G HN 0.413 nan 8.290 nan 0.000 0.520 128 N N 0.668 119.409 118.700 0.068 0.000 2.466 128 N HA 0.301 5.041 4.740 0.001 0.000 0.263 128 N C -0.646 174.963 175.510 0.165 0.000 1.178 128 N CA 0.128 53.249 53.050 0.119 0.000 0.983 128 N CB -0.647 37.919 38.487 0.132 0.000 1.331 128 N HN 0.257 nan 8.380 nan 0.000 0.500 129 L N 0.211 121.482 121.223 0.080 0.000 2.322 129 L HA 0.526 4.866 4.340 0.001 0.000 0.252 129 L C 0.344 177.234 176.870 0.032 0.000 1.055 129 L CA -1.268 53.618 54.840 0.076 0.000 0.849 129 L CB 1.537 43.645 42.059 0.082 0.000 1.446 129 L HN 0.315 nan 8.230 nan 0.000 0.416 130 S N -0.971 114.745 115.700 0.028 0.000 2.579 130 S HA 0.059 4.529 4.470 0.001 0.000 0.275 130 S C 1.116 175.719 174.600 0.006 0.000 1.345 130 S CA 0.114 58.323 58.200 0.014 0.000 1.031 130 S CB 1.415 64.623 63.200 0.013 0.000 0.892 130 S HN 0.647 nan 8.310 nan 0.000 0.529 131 S N 0.749 116.450 115.700 0.001 0.000 2.372 131 S HA -0.269 4.201 4.470 0.001 0.000 0.227 131 S C 1.949 176.548 174.600 -0.002 0.000 1.044 131 S CA 2.023 60.221 58.200 -0.003 0.000 1.050 131 S CB -0.753 62.445 63.200 -0.003 0.000 0.901 131 S HN 0.864 nan 8.310 nan 0.000 0.447 132 Q N 0.143 119.944 119.800 0.001 0.000 2.020 132 Q HA -0.196 4.144 4.340 0.001 0.000 0.202 132 Q C 2.346 178.348 176.000 0.003 0.000 0.982 132 Q CA 1.864 57.667 55.803 0.002 0.000 0.838 132 Q CB -0.267 28.473 28.738 0.003 0.000 0.899 132 Q HN 0.647 nan 8.270 nan 0.000 0.423 133 Q N 0.007 119.812 119.800 0.007 0.000 2.112 133 Q HA -0.198 4.142 4.340 0.001 0.000 0.206 133 Q C 2.254 178.258 176.000 0.005 0.000 0.987 133 Q CA 1.632 57.442 55.803 0.012 0.000 0.858 133 Q CB -0.153 28.600 28.738 0.025 0.000 0.905 133 Q HN 0.442 nan 8.270 nan 0.000 0.420 134 L N 0.526 121.747 121.223 -0.003 0.000 2.083 134 L HA -0.217 4.123 4.340 0.001 0.000 0.209 134 L C 1.869 178.729 176.870 -0.016 0.000 1.083 134 L CA 0.887 55.716 54.840 -0.018 0.000 0.752 134 L CB -0.353 41.689 42.059 -0.028 0.000 0.899 134 L HN 0.206 nan 8.230 nan 0.000 0.433 135 D N -0.239 120.155 120.400 -0.011 0.000 2.097 135 D HA -0.202 4.439 4.640 0.001 0.000 0.195 135 D C 2.281 178.577 176.300 -0.007 0.000 0.989 135 D CA 1.186 55.181 54.000 -0.009 0.000 0.827 135 D CB -0.194 40.603 40.800 -0.006 0.000 0.966 135 D HN 0.374 nan 8.370 nan 0.000 0.456 136 Q N 0.218 120.016 119.800 -0.003 0.000 2.061 136 Q HA -0.128 4.212 4.340 0.001 0.000 0.204 136 Q C 2.332 178.331 176.000 -0.003 0.000 0.984 136 Q CA 1.253 57.056 55.803 -0.001 0.000 0.846 136 Q CB -0.070 28.670 28.738 0.002 0.000 0.902 136 Q HN 0.260 nan 8.270 nan 0.000 0.421 137 R N 0.210 120.708 120.500 -0.004 0.000 2.092 137 R HA -0.046 4.295 4.340 0.001 0.000 0.231 137 R C 2.314 178.607 176.300 -0.013 0.000 1.119 137 R CA 0.972 57.068 56.100 -0.006 0.000 0.970 137 R CB -0.168 30.129 30.300 -0.004 0.000 0.864 137 R HN 0.144 nan 8.270 nan 0.000 0.440 138 R N 0.533 121.023 120.500 -0.017 0.000 2.091 138 R HA -0.108 4.232 4.340 0.001 0.000 0.238 138 R C 2.375 178.667 176.300 -0.014 0.000 1.136 138 R CA 1.479 57.567 56.100 -0.020 0.000 0.959 138 R CB -0.395 29.892 30.300 -0.022 0.000 0.856 138 R HN 0.225 nan 8.270 nan 0.000 0.437 139 A N 1.095 123.909 122.820 -0.010 0.000 1.883 139 A HA -0.202 4.119 4.320 0.001 0.000 0.217 139 A C 2.051 179.631 177.584 -0.006 0.000 1.186 139 A CA 1.369 53.402 52.037 -0.007 0.000 0.624 139 A CB -0.580 18.418 19.000 -0.003 0.000 0.822 139 A HN 0.274 nan 8.150 nan 0.000 0.444 140 L N -0.170 121.049 121.223 -0.006 0.000 2.017 140 L HA -0.099 4.242 4.340 0.001 0.000 0.208 140 L C 2.322 179.187 176.870 -0.009 0.000 1.073 140 L CA 1.748 56.584 54.840 -0.006 0.000 0.745 140 L CB -0.594 41.462 42.059 -0.005 0.000 0.894 140 L HN 0.414 nan 8.230 nan 0.000 0.432 141 L N -0.215 121.001 121.223 -0.012 0.000 2.042 141 L HA -0.245 4.095 4.340 0.001 0.000 0.210 141 L C 2.354 179.215 176.870 -0.016 0.000 1.076 141 L CA 1.346 56.177 54.840 -0.015 0.000 0.749 141 L CB -0.923 41.124 42.059 -0.020 0.000 0.893 141 L HN 0.389 nan 8.230 nan 0.000 0.432 142 N N -0.138 118.553 118.700 -0.014 0.000 2.120 142 N HA -0.203 4.537 4.740 0.001 0.000 0.188 142 N C 1.838 177.341 175.510 -0.012 0.000 1.024 142 N CA 1.351 54.393 53.050 -0.013 0.000 0.852 142 N CB -0.247 38.233 38.487 -0.012 0.000 1.003 142 N HN 0.322 nan 8.380 nan 0.000 0.424 143 M N 0.785 120.380 119.600 -0.009 0.000 2.296 143 M HA -0.011 4.470 4.480 0.001 0.000 0.265 143 M C 1.330 177.624 176.300 -0.011 0.000 1.064 143 M CA 1.243 56.538 55.300 -0.008 0.000 1.109 143 M CB 0.086 32.684 32.600 -0.004 0.000 1.396 143 M HN 0.159 nan 8.290 nan 0.000 0.430 144 I N -4.004 116.558 120.570 -0.013 0.000 3.904 144 I HA 0.425 4.596 4.170 0.001 0.000 0.333 144 I C 0.908 177.012 176.117 -0.021 0.000 1.361 144 I CA 0.424 61.713 61.300 -0.017 0.000 1.116 144 I CB -0.381 37.609 38.000 -0.016 0.000 1.028 144 I HN 0.388 nan 8.210 nan 0.000 0.398 145 G N 1.776 110.564 108.800 -0.019 0.000 2.143 145 G HA2 -0.260 3.700 3.960 0.001 0.000 0.248 145 G HA3 -0.260 3.700 3.960 0.001 0.000 0.248 145 G C 0.069 174.953 174.900 -0.026 0.000 0.991 145 G CA 0.479 45.566 45.100 -0.021 0.000 0.689 145 G HN 0.450 nan 8.290 nan 0.000 0.522 159 G N -0.787 108.018 108.800 0.008 0.000 2.304 159 G HA2 -0.244 3.716 3.960 0.001 0.000 0.252 159 G HA3 -0.244 3.716 3.960 0.001 0.000 0.252 159 G C 0.101 174.910 174.900 -0.150 0.000 1.014 159 G CA 0.538 45.554 45.100 -0.139 0.000 0.619 159 G HN 0.624 nan 8.290 nan 0.000 0.525 160 V N 1.839 121.777 119.914 0.040 0.000 2.461 160 V HA 0.532 4.653 4.120 0.001 0.000 0.275 160 V C 0.776 176.874 176.094 0.006 0.000 1.047 160 V CA -0.562 61.775 62.300 0.062 0.000 0.955 160 V CB 1.683 33.578 31.823 0.121 0.000 0.988 160 V HN 0.275 nan 8.190 nan 0.000 0.471 161 V N 7.462 127.368 119.914 -0.013 0.000 2.432 161 V HA 0.607 4.728 4.120 0.001 0.000 0.275 161 V C 0.262 176.355 176.094 -0.001 0.000 1.043 161 V CA -0.336 61.951 62.300 -0.022 0.000 0.925 161 V CB 1.074 32.873 31.823 -0.039 0.000 0.985 161 V HN 1.069 nan 8.190 nan 0.000 0.466 162 R N 3.264 123.761 120.500 -0.004 0.000 2.680 162 R HA 0.666 5.007 4.340 0.001 0.000 0.269 162 R C -1.039 175.244 176.300 -0.028 0.000 1.026 162 R CA -0.830 55.276 56.100 0.010 0.000 0.889 162 R CB 1.749 32.077 30.300 0.047 0.000 1.241 162 R HN 0.160 nan 8.270 nan 0.000 0.463 163 V N -0.216 119.674 119.914 -0.041 0.000 2.581 163 V HA 0.178 4.298 4.120 0.001 0.000 0.240 163 V C -0.146 175.780 176.094 -0.280 0.000 1.054 163 V CA 0.572 62.754 62.300 -0.196 0.000 1.076 163 V CB -0.079 31.596 31.823 -0.248 0.000 0.748 163 V HN 0.585 nan 8.190 nan 0.000 0.474 164 W N 0.713 122.020 121.300 0.011 0.000 2.349 164 W HA 0.484 5.144 4.660 0.001 0.000 0.309 164 W C -0.547 175.994 176.519 0.037 0.000 1.083 164 W CA -0.430 56.935 57.345 0.034 0.000 1.224 164 W CB 0.821 30.310 29.460 0.047 0.000 1.256 164 W HN -0.041 nan 8.180 nan 0.000 0.461 165 D N 4.202 124.757 120.400 0.259 0.000 2.473 165 D HA 0.333 4.974 4.640 0.001 0.000 0.226 165 D C -1.033 175.389 176.300 0.204 0.000 1.089 165 D CA -0.198 53.912 54.000 0.183 0.000 0.883 165 D CB 0.546 41.412 40.800 0.110 0.000 1.029 165 D HN 0.163 nan 8.370 nan 0.000 0.517 166 V N 1.242 121.270 119.914 0.190 0.000 2.962 166 V HA 0.491 4.611 4.120 0.001 0.000 0.313 166 V C 1.279 177.442 176.094 0.114 0.000 1.099 166 V CA -1.004 61.388 62.300 0.154 0.000 0.971 166 V CB 2.034 33.943 31.823 0.144 0.000 1.028 166 V HN 0.287 nan 8.190 nan 0.000 0.430 167 K N 1.821 122.278 120.400 0.096 0.000 2.057 167 K HA -0.035 4.285 4.320 0.001 0.000 0.206 167 K C 0.640 177.290 176.600 0.084 0.000 1.050 167 K CA 1.775 58.116 56.287 0.089 0.000 0.935 167 K CB 0.077 32.622 32.500 0.076 0.000 0.715 167 K HN 0.849 nan 8.250 nan 0.000 0.439 168 N N -0.469 118.270 118.700 0.065 0.000 2.617 168 N HA 0.211 4.952 4.740 0.001 0.000 0.263 168 N C -0.387 175.142 175.510 0.032 0.000 1.074 168 N CA -0.042 53.041 53.050 0.053 0.000 0.841 168 N CB 1.672 40.185 38.487 0.042 0.000 1.221 168 N HN 0.170 nan 8.380 nan 0.000 0.529 169 A N 2.676 125.521 122.820 0.042 0.000 2.125 169 A HA -0.082 4.239 4.320 0.001 0.000 0.219 169 A C 1.623 179.208 177.584 0.001 0.000 1.156 169 A CA 1.106 53.155 52.037 0.019 0.000 0.671 169 A CB -0.267 18.759 19.000 0.043 0.000 0.794 169 A HN 0.788 nan 8.150 nan 0.000 0.459 170 E N -0.259 119.948 120.200 0.013 0.000 2.265 170 E HA -0.097 4.253 4.350 0.001 0.000 0.196 170 E C 1.363 177.948 176.600 -0.025 0.000 0.996 170 E CA 0.610 57.012 56.400 0.003 0.000 0.832 170 E CB -0.217 29.490 29.700 0.011 0.000 0.756 170 E HN 0.683 nan 8.360 nan 0.000 0.491 171 L N 0.514 121.714 121.223 -0.039 0.000 2.551 171 L HA -0.090 4.250 4.340 0.001 0.000 0.228 171 L C 1.906 178.705 176.870 -0.118 0.000 1.153 171 L CA 0.284 55.082 54.840 -0.070 0.000 0.851 171 L CB -0.150 41.872 42.059 -0.063 0.000 0.959 171 L HN 0.184 nan 8.230 nan 0.000 0.451 172 L N -0.888 120.270 121.223 -0.108 0.000 2.313 172 L HA -0.013 4.328 4.340 0.001 0.000 0.214 172 L C 0.598 177.486 176.870 0.031 0.000 1.119 172 L CA 0.007 54.805 54.840 -0.070 0.000 0.809 172 L CB -0.353 41.639 42.059 -0.111 0.000 0.933 172 L HN 0.276 nan 8.230 nan 0.000 0.449 173 N N 1.979 120.673 118.700 -0.010 0.000 2.447 173 N HA -0.055 4.685 4.740 0.001 0.000 0.263 173 N C 0.338 175.841 175.510 -0.011 0.000 1.226 173 N CA 0.462 53.514 53.050 0.002 0.000 0.906 173 N CB 0.142 38.612 38.487 -0.027 0.000 1.060 173 N HN 0.139 nan 8.380 nan 0.000 0.468 174 N N 0.664 119.381 118.700 0.027 0.000 2.828 174 N HA -0.173 4.567 4.740 0.001 0.000 0.248 174 N C -0.082 175.393 175.510 -0.059 0.000 1.044 174 N CA 0.509 53.562 53.050 0.005 0.000 0.851 174 N CB -0.538 37.939 38.487 -0.016 0.000 1.136 174 N HN 0.619 nan 8.380 nan 0.000 0.572 175 Q N -0.968 118.750 119.800 -0.137 0.000 2.360 175 Q HA 0.232 4.572 4.340 0.001 0.000 0.202 175 Q C 0.871 176.479 176.000 -0.653 0.000 0.915 175 Q CA 0.488 56.016 55.803 -0.458 0.000 0.943 175 Q CB 0.017 28.337 28.738 -0.698 0.000 1.064 175 Q HN 0.535 nan 8.270 nan 0.000 0.511 176 F N -0.630 119.296 119.950 -0.039 0.000 2.729 176 F HA 0.329 4.857 4.527 0.002 0.000 0.315 176 F C 1.369 177.141 175.800 -0.047 0.000 1.102 176 F CA -0.667 57.321 58.000 -0.020 0.000 1.204 176 F CB 0.385 39.386 39.000 0.003 0.000 1.052 176 F HN -0.136 nan 8.300 nan 0.000 0.551 177 G N 1.032 109.860 108.800 0.046 0.000 2.554 177 G HA2 0.343 4.303 3.960 0.001 0.000 0.238 177 G HA3 0.343 4.303 3.960 0.001 0.000 0.238 177 G C 0.113 174.986 174.900 -0.045 0.000 1.259 177 G CA -0.134 44.972 45.100 0.009 0.000 0.843 177 G HN 0.148 nan 8.290 nan 0.000 0.582 178 T N -0.745 113.794 114.554 -0.025 0.000 2.875 178 T HA 0.629 4.980 4.350 0.001 0.000 0.284 178 T C -0.112 174.564 174.700 -0.039 0.000 0.995 178 T CA -0.762 61.304 62.100 -0.057 0.000 1.060 178 T CB 1.628 70.483 68.868 -0.022 0.000 0.967 178 T HN 0.507 nan 8.240 nan 0.000 0.476 179 M N 3.645 123.199 119.600 -0.076 0.000 2.263 179 M HA 0.373 4.853 4.480 0.001 0.000 0.295 179 M C -2.331 173.944 176.300 -0.041 0.000 1.028 179 M CA -2.452 52.819 55.300 -0.049 0.000 0.921 179 M CB 2.429 34.985 32.600 -0.073 0.000 1.601 179 M HN 0.310 nan 8.290 nan 0.000 0.440 180 P HA -0.177 nan 4.420 nan 0.000 0.216 180 P C 1.168 178.460 177.300 -0.014 0.000 1.150 180 P CA 1.892 64.986 63.100 -0.011 0.000 0.843 180 P CB 0.146 31.841 31.700 -0.009 0.000 0.787 181 S N -1.299 114.385 115.700 -0.027 0.000 2.383 181 S HA -0.123 4.348 4.470 0.001 0.000 0.227 181 S C 1.871 176.481 174.600 0.016 0.000 1.026 181 S CA 0.862 59.054 58.200 -0.012 0.000 0.981 181 S CB -1.478 61.704 63.200 -0.029 0.000 0.818 181 S HN -0.009 nan 8.310 nan 0.000 0.472 182 L N 2.315 123.531 121.223 -0.011 0.000 2.044 182 L HA 0.037 4.378 4.340 0.001 0.000 0.205 182 L C 2.491 179.378 176.870 0.028 0.000 1.075 182 L CA 2.155 56.992 54.840 -0.005 0.000 0.747 182 L CB -1.614 40.370 42.059 -0.124 0.000 0.903 182 L HN 0.304 nan 8.230 nan 0.000 0.435 183 T N 0.103 114.650 114.554 -0.010 0.000 2.665 183 T HA -0.222 4.129 4.350 0.001 0.000 0.268 183 T C 1.803 176.577 174.700 0.122 0.000 1.035 183 T CA 1.892 64.015 62.100 0.038 0.000 1.151 183 T CB -0.473 68.407 68.868 0.020 0.000 0.862 183 T HN 0.283 nan 8.240 nan 0.000 0.438 184 L N 1.389 122.657 121.223 0.075 0.000 2.017 184 L HA 0.074 4.414 4.340 0.001 0.000 0.208 184 L C 2.622 179.541 176.870 0.082 0.000 1.073 184 L CA 2.021 56.901 54.840 0.067 0.000 0.745 184 L CB -1.214 40.864 42.059 0.030 0.000 0.894 184 L HN 0.228 nan 8.230 nan 0.000 0.432 185 A N -1.285 121.603 122.820 0.112 0.000 1.877 185 A HA -0.241 4.080 4.320 0.001 0.000 0.216 185 A C 2.397 180.080 177.584 0.166 0.000 1.186 185 A CA 1.908 54.036 52.037 0.153 0.000 0.620 185 A CB -1.483 17.689 19.000 0.288 0.000 0.822 185 A HN 0.643 nan 8.150 nan 0.000 0.443 186 C N -0.817 118.671 119.300 0.313 0.000 2.429 186 C HA -0.037 4.423 4.460 0.001 0.000 0.277 186 C C 2.626 177.818 174.990 0.337 0.000 1.262 186 C CA 0.910 60.167 59.018 0.399 0.000 1.733 186 C CB -1.600 26.402 27.740 0.438 0.000 2.010 186 C HN 0.625 nan 8.230 nan 0.000 0.483 187 L N 0.533 121.954 121.223 0.330 0.000 2.012 187 L HA -0.202 4.138 4.340 0.001 0.000 0.210 187 L C 2.743 179.595 176.870 -0.031 0.000 1.073 187 L CA 1.939 56.833 54.840 0.090 0.000 0.748 187 L CB -1.116 40.990 42.059 0.079 0.000 0.891 187 L HN 0.387 nan 8.230 nan 0.000 0.431 188 T N -0.807 113.727 114.554 -0.034 0.000 2.643 188 T HA -0.235 4.115 4.350 0.001 0.000 0.264 188 T C 1.920 176.517 174.700 -0.172 0.000 1.045 188 T CA 1.766 63.809 62.100 -0.095 0.000 1.155 188 T CB -0.121 68.692 68.868 -0.090 0.000 0.863 188 T HN 0.092 nan 8.240 nan 0.000 0.420 189 K N 1.107 121.327 120.400 -0.300 0.000 2.031 189 K HA 0.037 4.358 4.320 0.001 0.000 0.205 189 K C 2.350 178.791 176.600 -0.265 0.000 1.049 189 K CA 1.374 57.392 56.287 -0.449 0.000 0.939 189 K CB -0.231 31.589 32.500 -1.134 0.000 0.717 189 K HN 0.332 nan 8.250 nan 0.000 0.438 190 Q N -1.109 118.594 119.800 -0.163 0.000 2.245 190 Q HA 0.057 4.397 4.340 0.001 0.000 0.201 190 Q C 1.790 177.737 176.000 -0.088 0.000 0.955 190 Q CA 1.148 56.925 55.803 -0.045 0.000 0.870 190 Q CB 0.159 28.973 28.738 0.128 0.000 0.945 190 Q HN 0.495 nan 8.270 nan 0.000 0.461 191 G N 0.066 108.789 108.800 -0.127 0.000 2.880 191 G HA2 -0.105 3.856 3.960 0.001 0.000 0.209 191 G HA3 -0.105 3.856 3.960 0.001 0.000 0.209 191 G C 0.079 174.918 174.900 -0.101 0.000 1.157 191 G CA -0.243 44.772 45.100 -0.140 0.000 0.779 191 G HN 0.308 nan 8.290 nan 0.000 0.539 192 Q N -1.002 118.739 119.800 -0.099 0.000 2.452 192 Q HA -0.166 4.175 4.340 0.001 0.000 0.318 192 Q C -0.143 175.816 176.000 -0.069 0.000 1.386 192 Q CA 0.456 56.209 55.803 -0.083 0.000 0.872 192 Q CB -2.327 26.372 28.738 -0.065 0.000 1.151 192 Q HN 0.665 nan 8.270 nan 0.000 0.417 193 V N -4.111 115.760 119.914 -0.072 0.000 3.074 193 V HA 0.640 4.761 4.120 0.001 0.000 0.314 193 V C 0.100 176.161 176.094 -0.055 0.000 1.117 193 V CA -1.209 61.059 62.300 -0.053 0.000 1.014 193 V CB 2.306 34.103 31.823 -0.043 0.000 1.057 193 V HN 0.040 nan 8.190 nan 0.000 0.438 194 D N 1.096 121.473 120.400 -0.038 0.000 2.382 194 D HA 0.174 4.815 4.640 0.001 0.000 0.245 194 D C 0.900 177.179 176.300 -0.034 0.000 1.120 194 D CA 0.034 54.013 54.000 -0.035 0.000 0.890 194 D CB 1.652 42.439 40.800 -0.021 0.000 1.201 194 D HN 0.697 nan 8.370 nan 0.000 0.433 195 L N 3.857 125.057 121.223 -0.039 0.000 2.043 195 L HA -0.252 4.089 4.340 0.001 0.000 0.212 195 L C 1.611 178.469 176.870 -0.019 0.000 1.075 195 L CA 1.903 56.723 54.840 -0.033 0.000 0.752 195 L CB -0.765 41.273 42.059 -0.034 0.000 0.891 195 L HN 0.399 nan 8.230 nan 0.000 0.432 196 N N -0.517 118.176 118.700 -0.012 0.000 2.166 196 N HA -0.203 4.537 4.740 0.001 0.000 0.186 196 N C 1.490 177.001 175.510 0.000 0.000 1.019 196 N CA 1.491 54.538 53.050 -0.004 0.000 0.856 196 N CB -0.195 38.293 38.487 0.002 0.000 0.993 196 N HN 0.438 nan 8.380 nan 0.000 0.426 197 D N -0.037 120.365 120.400 0.003 0.000 2.092 197 D HA -0.141 4.500 4.640 0.001 0.000 0.193 197 D C 1.803 178.104 176.300 0.001 0.000 0.994 197 D CA 1.555 55.567 54.000 0.019 0.000 0.828 197 D CB -0.690 40.118 40.800 0.014 0.000 0.963 197 D HN 0.410 nan 8.370 nan 0.000 0.450 198 A N 0.551 123.361 122.820 -0.017 0.000 1.902 198 A HA -0.135 4.186 4.320 0.001 0.000 0.217 198 A C 2.567 180.126 177.584 -0.042 0.000 1.181 198 A CA 1.315 53.334 52.037 -0.029 0.000 0.623 198 A CB -0.791 18.197 19.000 -0.020 0.000 0.818 198 A HN 0.147 nan 8.150 nan 0.000 0.443 199 V N 0.064 119.959 119.914 -0.031 0.000 2.255 199 V HA -0.291 3.829 4.120 0.001 0.000 0.247 199 V C 2.792 178.851 176.094 -0.058 0.000 1.051 199 V CA 2.150 64.429 62.300 -0.034 0.000 1.018 199 V CB -0.772 31.040 31.823 -0.018 0.000 0.641 199 V HN 0.549 nan 8.190 nan 0.000 0.445 200 Q N -0.226 119.542 119.800 -0.053 0.000 2.061 200 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 200 Q C 2.434 178.283 176.000 -0.251 0.000 0.984 200 Q CA 2.123 57.883 55.803 -0.072 0.000 0.846 200 Q CB -0.797 27.952 28.738 0.018 0.000 0.902 200 Q HN 0.664 nan 8.270 nan 0.000 0.421 201 A N 0.743 123.352 122.820 -0.352 0.000 1.877 201 A HA -0.140 4.181 4.320 0.001 0.000 0.216 201 A C 2.281 179.662 177.584 -0.339 0.000 1.186 201 A CA 1.229 52.887 52.037 -0.631 0.000 0.620 201 A CB -0.754 18.056 19.000 -0.316 0.000 0.822 201 A HN 0.324 nan 8.150 nan 0.000 0.443 202 L N -0.777 120.340 121.223 -0.177 0.000 2.141 202 L HA -0.138 4.203 4.340 0.001 0.000 0.209 202 L C 2.748 179.563 176.870 -0.092 0.000 1.094 202 L CA 1.551 56.326 54.840 -0.108 0.000 0.763 202 L CB -0.890 41.133 42.059 -0.060 0.000 0.908 202 L HN 0.338 nan 8.230 nan 0.000 0.437 203 T N -0.721 113.778 114.554 -0.092 0.000 2.684 203 T HA -0.207 4.143 4.350 0.001 0.000 0.267 203 T C 1.452 176.118 174.700 -0.056 0.000 1.036 203 T CA 1.715 63.781 62.100 -0.056 0.000 1.148 203 T CB -0.250 68.591 68.868 -0.044 0.000 0.863 203 T HN 0.311 nan 8.240 nan 0.000 0.436 204 D N 0.704 121.041 120.400 -0.105 0.000 2.144 204 D HA -0.031 4.610 4.640 0.001 0.000 0.199 204 D C 2.007 178.280 176.300 -0.045 0.000 0.984 204 D CA 0.481 54.441 54.000 -0.066 0.000 0.834 204 D CB -0.477 40.270 40.800 -0.087 0.000 0.955 204 D HN 0.183 nan 8.370 nan 0.000 0.465 205 L N 0.771 121.949 121.223 -0.076 0.000 2.046 205 L HA -0.004 4.337 4.340 0.001 0.000 0.208 205 L C 2.162 179.015 176.870 -0.028 0.000 1.077 205 L CA 2.074 56.876 54.840 -0.064 0.000 0.747 205 L CB -0.941 41.062 42.059 -0.093 0.000 0.896 205 L HN 0.058 nan 8.230 nan 0.000 0.432 206 G N -0.412 108.384 108.800 -0.006 0.000 2.440 206 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 206 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 206 G C 1.623 176.581 174.900 0.097 0.000 1.154 206 G CA 1.076 46.219 45.100 0.071 0.000 0.767 206 G HN 0.439 nan 8.290 nan 0.000 0.552 207 L N 0.121 121.372 121.223 0.045 0.000 2.042 207 L HA -0.092 4.248 4.340 0.001 0.000 0.210 207 L C 2.887 179.786 176.870 0.048 0.000 1.076 207 L CA 0.861 55.725 54.840 0.040 0.000 0.749 207 L CB -0.377 41.695 42.059 0.022 0.000 0.893 207 L HN 0.227 nan 8.230 nan 0.000 0.432 208 I N -1.407 119.187 120.570 0.041 0.000 2.226 208 I HA -0.351 3.820 4.170 0.001 0.000 0.245 208 I C 2.475 178.634 176.117 0.071 0.000 1.100 208 I CA 1.323 62.639 61.300 0.026 0.000 1.374 208 I CB -0.451 37.546 38.000 -0.006 0.000 1.057 208 I HN 0.215 nan 8.210 nan 0.000 0.413 209 Y N 2.267 122.533 120.300 -0.058 0.000 2.465 209 Y HA -0.247 4.304 4.550 0.001 0.000 0.289 209 Y C 2.740 178.729 175.900 0.148 0.000 1.150 209 Y CA 1.510 59.608 58.100 -0.003 0.000 1.293 209 Y CB -0.840 37.591 38.460 -0.048 0.000 0.977 209 Y HN 0.340 nan 8.280 nan 0.000 0.556 210 T N -3.213 111.386 114.554 0.075 0.000 2.915 210 T HA -0.008 4.343 4.350 0.001 0.000 0.269 210 T C 1.748 176.536 174.700 0.145 0.000 1.071 210 T CA 1.094 63.220 62.100 0.042 0.000 1.132 210 T CB -0.372 68.513 68.868 0.030 0.000 0.878 210 T HN 0.284 nan 8.240 nan 0.000 0.479 211 A N 0.516 123.379 122.820 0.073 0.000 2.312 211 A HA 0.545 4.865 4.320 0.001 0.000 0.215 211 A C 0.669 177.989 177.584 -0.440 0.000 1.256 211 A CA -0.029 51.992 52.037 -0.025 0.000 0.966 211 A CB 0.419 19.400 19.000 -0.031 0.000 1.053 211 A HN 0.627 nan 8.150 nan 0.000 0.510 212 K N -1.548 118.478 120.400 -0.623 0.000 2.587 212 K HA 0.366 4.687 4.320 0.001 0.000 0.276 212 K C -1.887 174.457 176.600 -0.426 0.000 0.956 212 K CA -0.684 55.107 56.287 -0.827 0.000 0.857 212 K CB 0.839 33.139 32.500 -0.333 0.000 1.431 212 K HN -0.011 nan 8.250 nan 0.000 0.420 213 Y N 3.387 123.502 120.300 -0.308 0.000 2.480 213 Y HA 0.259 4.809 4.550 0.000 0.000 0.341 213 Y C -2.109 173.810 175.900 0.031 0.000 1.031 213 Y CA -1.368 56.813 58.100 0.135 0.000 1.295 213 Y CB 0.854 39.437 38.460 0.204 0.000 1.162 213 Y HN 0.455 nan 8.280 nan 0.000 0.523 214 P HA 0.046 nan 4.420 nan 0.000 0.268 214 P C -1.230 176.098 177.300 0.047 0.000 1.204 214 P CA 0.017 63.047 63.100 -0.117 0.000 0.768 214 P CB 0.597 32.180 31.700 -0.196 0.000 0.842 215 N N -0.089 118.646 118.700 0.058 0.000 2.671 215 N HA 0.222 4.963 4.740 0.001 0.000 0.303 215 N C 1.101 176.640 175.510 0.048 0.000 1.277 215 N CA -0.533 52.567 53.050 0.084 0.000 0.933 215 N CB -0.973 37.553 38.487 0.064 0.000 1.190 215 N HN 0.328 nan 8.380 nan 0.000 0.600 216 T N -3.153 111.428 114.554 0.045 0.000 2.788 216 T HA -0.214 4.136 4.350 0.001 0.000 0.268 216 T C 1.722 176.434 174.700 0.020 0.000 1.044 216 T CA 1.909 64.028 62.100 0.031 0.000 1.139 216 T CB -1.023 67.862 68.868 0.028 0.000 0.867 216 T HN 0.611 nan 8.240 nan 0.000 0.454 217 S N 1.685 117.396 115.700 0.017 0.000 2.368 217 S HA -0.150 4.321 4.470 0.001 0.000 0.224 217 S C 1.812 176.417 174.600 0.008 0.000 1.029 217 S CA 1.133 59.339 58.200 0.011 0.000 0.988 217 S CB -0.684 62.521 63.200 0.008 0.000 0.838 217 S HN 0.497 nan 8.310 nan 0.000 0.462 218 D N 1.504 121.908 120.400 0.007 0.000 2.104 218 D HA -0.071 4.569 4.640 0.001 0.000 0.194 218 D C 1.946 178.249 176.300 0.005 0.000 0.994 218 D CA 1.186 55.187 54.000 0.001 0.000 0.830 218 D CB -0.469 40.325 40.800 -0.010 0.000 0.959 218 D HN 0.339 nan 8.370 nan 0.000 0.452 219 L N 1.441 122.667 121.223 0.005 0.000 2.017 219 L HA -0.165 4.175 4.340 0.001 0.000 0.208 219 L C 1.602 178.481 176.870 0.015 0.000 1.073 219 L CA 1.796 56.641 54.840 0.008 0.000 0.745 219 L CB -0.554 41.511 42.059 0.010 0.000 0.894 219 L HN -0.164 nan 8.230 nan 0.000 0.432 220 D N -0.657 119.751 120.400 0.013 0.000 2.116 220 D HA -0.260 4.381 4.640 0.001 0.000 0.193 220 D C 2.294 178.600 176.300 0.011 0.000 0.998 220 D CA 1.490 55.497 54.000 0.011 0.000 0.836 220 D CB -0.189 40.615 40.800 0.008 0.000 0.951 220 D HN 0.323 nan 8.370 nan 0.000 0.449 221 R N 0.364 120.871 120.500 0.012 0.000 2.083 221 R HA -0.085 4.255 4.340 0.001 0.000 0.237 221 R C 2.416 178.731 176.300 0.025 0.000 1.137 221 R CA 0.909 57.016 56.100 0.012 0.000 0.951 221 R CB -0.318 29.988 30.300 0.011 0.000 0.851 221 R HN 0.197 nan 8.270 nan 0.000 0.434 222 L N -0.104 121.148 121.223 0.048 0.000 2.141 222 L HA -0.126 4.215 4.340 0.001 0.000 0.209 222 L C 2.257 179.196 176.870 0.115 0.000 1.094 222 L CA 1.474 56.381 54.840 0.112 0.000 0.763 222 L CB -0.490 41.637 42.059 0.114 0.000 0.908 222 L HN 0.300 nan 8.230 nan 0.000 0.437 223 T N -1.034 113.555 114.554 0.059 0.000 2.881 223 T HA -0.230 4.120 4.350 0.001 0.000 0.270 223 T C 1.873 176.576 174.700 0.006 0.000 1.068 223 T CA 1.111 63.236 62.100 0.041 0.000 1.131 223 T CB -0.090 68.788 68.868 0.017 0.000 0.871 223 T HN 0.344 nan 8.240 nan 0.000 0.479 224 Q N 0.701 120.495 119.800 -0.011 0.000 2.224 224 Q HA -0.064 4.277 4.340 0.001 0.000 0.203 224 Q C 2.386 178.334 176.000 -0.085 0.000 0.970 224 Q CA 1.501 57.282 55.803 -0.038 0.000 0.865 224 Q CB 0.046 28.766 28.738 -0.030 0.000 0.922 224 Q HN 0.626 nan 8.270 nan 0.000 0.445 225 S N -1.374 114.239 115.700 -0.146 0.000 2.523 225 S HA 0.064 4.535 4.470 0.001 0.000 0.217 225 S C 0.192 174.453 174.600 -0.565 0.000 0.996 225 S CA -0.424 57.574 58.200 -0.337 0.000 0.921 225 S CB 0.371 63.337 63.200 -0.389 0.000 0.829 225 S HN 0.237 nan 8.310 nan 0.000 0.495 226 H N 1.250 120.308 119.070 -0.020 0.000 2.716 226 H HA 0.329 4.885 4.556 0.001 0.000 0.260 226 H C -2.581 172.729 175.328 -0.031 0.000 1.280 226 H CA -1.579 54.454 56.048 -0.025 0.000 1.506 226 H CB 1.401 31.150 29.762 -0.023 0.000 1.514 226 H HN 0.156 nan 8.280 nan 0.000 0.502 227 P HA -0.151 nan 4.420 nan 0.000 0.219 227 P C 1.743 179.039 177.300 -0.006 0.000 1.146 227 P CA 0.546 63.648 63.100 0.003 0.000 0.808 227 P CB 0.393 32.083 31.700 -0.016 0.000 0.779 228 I N -0.722 119.850 120.570 0.003 0.000 2.335 228 I HA -0.195 3.975 4.170 0.001 0.000 0.251 228 I C 1.733 177.818 176.117 -0.054 0.000 1.129 228 I CA 1.396 62.672 61.300 -0.039 0.000 1.402 228 I CB -0.836 37.143 38.000 -0.034 0.000 1.069 228 I HN -0.145 nan 8.210 nan 0.000 0.424 229 L N 0.860 122.077 121.223 -0.010 0.000 2.456 229 L HA -0.155 4.186 4.340 0.001 0.000 0.224 229 L C 1.698 178.552 176.870 -0.027 0.000 1.148 229 L CA 1.076 55.907 54.840 -0.015 0.000 0.825 229 L CB -1.196 40.871 42.059 0.014 0.000 0.937 229 L HN 0.459 nan 8.230 nan 0.000 0.450 230 N N -0.309 118.370 118.700 -0.036 0.000 2.520 230 N HA -0.174 4.566 4.740 0.001 0.000 0.185 230 N C 1.587 177.056 175.510 -0.068 0.000 1.068 230 N CA 0.911 53.938 53.050 -0.039 0.000 0.911 230 N CB -0.353 38.114 38.487 -0.033 0.000 0.961 230 N HN 0.335 nan 8.380 nan 0.000 0.446 231 M N 0.002 119.527 119.600 -0.126 0.000 2.374 231 M HA 0.059 4.539 4.480 0.001 0.000 0.264 231 M C 0.078 176.312 176.300 -0.111 0.000 1.067 231 M CA 0.655 55.821 55.300 -0.224 0.000 1.103 231 M CB -0.252 32.055 32.600 -0.489 0.000 1.402 231 M HN 0.112 nan 8.290 nan 0.000 0.444 232 I N 1.945 122.500 120.570 -0.024 0.000 2.396 232 I HA -0.021 4.149 4.170 0.001 0.000 0.289 232 I C -0.370 175.783 176.117 0.060 0.000 1.056 232 I CA -0.394 60.945 61.300 0.065 0.000 1.365 232 I CB 0.460 38.494 38.000 0.057 0.000 1.407 232 I HN 0.198 nan 8.210 nan 0.000 0.509 233 D N 4.068 124.523 120.400 0.091 0.000 2.422 233 D HA 0.193 4.833 4.640 0.001 0.000 0.227 233 D C 0.637 176.974 176.300 0.063 0.000 1.190 233 D CA -0.696 53.346 54.000 0.070 0.000 0.905 233 D CB 0.485 41.334 40.800 0.081 0.000 1.034 233 D HN 0.589 nan 8.370 nan 0.000 0.507 238 S N -0.085 115.622 115.700 0.011 0.000 2.607 238 S HA 0.321 4.791 4.470 0.001 0.000 0.224 238 S C 0.337 174.936 174.600 -0.001 0.000 0.969 238 S CA -0.220 57.987 58.200 0.012 0.000 0.927 238 S CB -1.019 62.185 63.200 0.008 0.000 0.772 238 S HN 0.594 nan 8.310 nan 0.000 0.533 239 L N 1.792 123.010 121.223 -0.007 0.000 2.325 239 L HA 0.486 4.826 4.340 0.001 0.000 0.278 239 L C 0.468 177.324 176.870 -0.024 0.000 1.023 239 L CA -0.758 54.068 54.840 -0.024 0.000 0.811 239 L CB 0.691 42.734 42.059 -0.027 0.000 1.249 239 L HN 0.123 nan 8.230 nan 0.000 0.431 240 N N 2.176 120.843 118.700 -0.055 0.000 2.727 240 N HA -0.212 4.528 4.740 0.001 0.000 0.249 240 N C -0.974 174.538 175.510 0.003 0.000 1.048 240 N CA 1.200 54.216 53.050 -0.057 0.000 0.714 240 N CB -0.816 37.646 38.487 -0.043 0.000 0.959 240 N HN 0.658 nan 8.380 nan 0.000 0.544 241 I N -4.467 116.125 120.570 0.036 0.000 3.457 241 I HA 0.795 4.966 4.170 0.001 0.000 0.307 241 I C 0.270 176.540 176.117 0.255 0.000 1.138 241 I CA -0.721 60.652 61.300 0.122 0.000 0.974 241 I CB 2.058 40.106 38.000 0.079 0.000 1.324 241 I HN 0.135 nan 8.210 nan 0.000 0.485 242 S N -0.316 115.534 115.700 0.250 0.000 2.745 242 S HA 0.591 5.062 4.470 0.001 0.000 0.306 242 S C 0.746 175.356 174.600 0.017 0.000 1.137 242 S CA -0.203 58.153 58.200 0.261 0.000 0.900 242 S CB 1.028 64.442 63.200 0.358 0.000 1.176 242 S HN 1.079 nan 8.310 nan 0.000 0.520 243 G N -0.582 108.112 108.800 -0.176 0.000 2.559 243 G HA2 -0.027 3.934 3.960 0.001 0.000 0.216 243 G HA3 -0.027 3.934 3.960 0.001 0.000 0.216 243 G C 0.414 174.978 174.900 -0.560 0.000 1.126 243 G CA 0.471 45.334 45.100 -0.394 0.000 0.778 243 G HN 0.729 nan 8.290 nan 0.000 0.543 244 Y N 0.252 120.478 120.300 -0.125 0.000 2.466 244 Y HA 0.227 4.777 4.550 0.000 0.000 0.272 244 Y C 0.864 176.533 175.900 -0.385 0.000 1.169 244 Y CA -0.722 57.252 58.100 -0.211 0.000 1.285 244 Y CB -0.216 38.184 38.460 -0.100 0.000 1.078 244 Y HN 0.104 nan 8.280 nan 0.000 0.523 245 N N -0.353 118.216 118.700 -0.217 0.000 2.492 245 N HA 0.255 4.995 4.740 0.001 0.000 0.289 245 N C -1.224 174.073 175.510 -0.355 0.000 1.133 245 N CA -0.608 52.311 53.050 -0.217 0.000 0.961 245 N CB 0.542 39.028 38.487 -0.002 0.000 1.186 245 N HN -0.091 nan 8.380 nan 0.000 0.493 246 F N 0.806 120.796 119.950 0.066 0.000 2.640 246 F HA 0.199 4.727 4.527 0.002 0.000 0.331 246 F C 0.883 176.705 175.800 0.036 0.000 1.200 246 F CA -0.757 57.270 58.000 0.045 0.000 1.278 246 F CB -0.632 38.394 39.000 0.042 0.000 1.571 246 F HN 0.322 nan 8.300 nan 0.000 0.576 247 S N 0.018 115.792 115.700 0.124 0.000 2.603 247 S HA 0.178 4.648 4.470 0.001 0.000 0.268 247 S C 1.147 175.804 174.600 0.095 0.000 1.317 247 S CA -0.812 57.447 58.200 0.099 0.000 1.012 247 S CB 1.341 64.579 63.200 0.063 0.000 0.926 247 S HN 0.401 nan 8.310 nan 0.000 0.539 248 L N 2.837 124.113 121.223 0.088 0.000 2.083 248 L HA 0.144 4.484 4.340 0.001 0.000 0.209 248 L C 2.329 179.240 176.870 0.068 0.000 1.083 248 L CA 2.377 57.262 54.840 0.076 0.000 0.752 248 L CB -1.819 40.299 42.059 0.099 0.000 0.899 248 L HN 1.014 nan 8.230 nan 0.000 0.433 249 G N -0.881 107.981 108.800 0.103 0.000 2.459 249 G HA2 -0.308 3.652 3.960 0.001 0.000 0.217 249 G HA3 -0.308 3.652 3.960 0.001 0.000 0.217 249 G C 1.627 176.555 174.900 0.048 0.000 1.183 249 G CA 1.091 46.257 45.100 0.109 0.000 0.776 249 G HN 0.635 nan 8.290 nan 0.000 0.552 250 A N 1.042 123.885 122.820 0.040 0.000 1.940 250 A HA 0.227 4.548 4.320 0.001 0.000 0.219 250 A C 2.811 180.401 177.584 0.011 0.000 1.176 250 A CA 2.404 54.452 52.037 0.019 0.000 0.631 250 A CB -0.752 18.247 19.000 -0.002 0.000 0.814 250 A HN 0.848 nan 8.150 nan 0.000 0.446 251 A N -0.723 122.107 122.820 0.018 0.000 1.898 251 A HA 0.039 4.359 4.320 0.001 0.000 0.216 251 A C 2.210 179.750 177.584 -0.074 0.000 1.181 251 A CA 1.649 53.685 52.037 -0.002 0.000 0.620 251 A CB -0.871 18.139 19.000 0.016 0.000 0.819 251 A HN 0.377 nan 8.150 nan 0.000 0.442 252 V N 0.409 120.234 119.914 -0.147 0.000 2.407 252 V HA -0.263 3.857 4.120 0.001 0.000 0.248 252 V C 2.542 178.475 176.094 -0.269 0.000 1.055 252 V CA 2.364 64.465 62.300 -0.332 0.000 1.049 252 V CB -0.613 30.840 31.823 -0.617 0.000 0.662 252 V HN 0.700 nan 8.190 nan 0.000 0.455 253 K N 0.349 120.669 120.400 -0.132 0.000 2.002 253 K HA -0.178 4.142 4.320 0.001 0.000 0.209 253 K C 2.235 178.834 176.600 -0.002 0.000 1.048 253 K CA 1.620 57.890 56.287 -0.028 0.000 0.930 253 K CB -0.363 32.162 32.500 0.042 0.000 0.714 253 K HN 0.395 nan 8.250 nan 0.000 0.438 254 A N 0.952 123.766 122.820 -0.010 0.000 1.883 254 A HA -0.113 4.207 4.320 0.001 0.000 0.217 254 A C 2.414 179.993 177.584 -0.009 0.000 1.186 254 A CA 2.087 54.121 52.037 -0.004 0.000 0.624 254 A CB -1.465 17.535 19.000 0.000 0.000 0.822 254 A HN 0.588 nan 8.150 nan 0.000 0.444 255 G N -0.495 108.288 108.800 -0.028 0.000 2.469 255 G HA2 -0.065 3.896 3.960 0.001 0.000 0.219 255 G HA3 -0.065 3.896 3.960 0.001 0.000 0.219 255 G C 1.751 176.667 174.900 0.027 0.000 1.150 255 G CA 1.640 46.727 45.100 -0.021 0.000 0.763 255 G HN 0.898 nan 8.290 nan 0.000 0.561 256 A N -0.158 122.702 122.820 0.066 0.000 1.940 256 A HA -0.107 4.213 4.320 0.001 0.000 0.219 256 A C 2.480 180.105 177.584 0.069 0.000 1.176 256 A CA 1.802 53.922 52.037 0.138 0.000 0.631 256 A CB -0.893 18.247 19.000 0.235 0.000 0.814 256 A HN 0.443 nan 8.150 nan 0.000 0.446 257 C N -0.841 118.483 119.300 0.040 0.000 2.456 257 C HA 0.056 4.516 4.460 0.001 0.000 0.279 257 C C 2.525 177.523 174.990 0.013 0.000 1.427 257 C CA 0.689 59.720 59.018 0.022 0.000 1.778 257 C CB -0.993 26.751 27.740 0.007 0.000 1.842 257 C HN 0.551 nan 8.230 nan 0.000 0.531 258 M N 0.198 119.805 119.600 0.012 0.000 2.506 258 M HA 0.207 4.687 4.480 0.001 0.000 0.260 258 M C 0.718 177.023 176.300 0.009 0.000 1.104 258 M CA 0.715 56.017 55.300 0.003 0.000 1.112 258 M CB -0.812 31.784 32.600 -0.007 0.000 1.401 258 M HN 0.267 nan 8.290 nan 0.000 0.473 259 L N 0.574 121.809 121.223 0.019 0.000 2.436 259 L HA 0.109 4.450 4.340 0.001 0.000 0.265 259 L C 0.545 177.426 176.870 0.017 0.000 1.168 259 L CA -0.623 54.229 54.840 0.019 0.000 0.815 259 L CB 0.251 42.327 42.059 0.028 0.000 1.109 259 L HN 0.062 nan 8.230 nan 0.000 0.462 263 N N 0.746 119.440 118.700 -0.010 0.000 2.648 263 N HA -0.134 4.606 4.740 0.001 0.000 0.265 263 N C 0.206 175.695 175.510 -0.035 0.000 1.100 263 N CA 0.392 53.434 53.050 -0.012 0.000 0.715 263 N CB -0.456 38.023 38.487 -0.013 0.000 0.881 263 N HN 0.233 nan 8.380 nan 0.000 0.548 264 M N 1.124 120.707 119.600 -0.030 0.000 2.211 264 M HA 0.155 4.636 4.480 0.001 0.000 0.356 264 M C 1.670 177.925 176.300 -0.075 0.000 1.216 264 M CA -0.227 55.038 55.300 -0.059 0.000 1.134 264 M CB 0.755 33.349 32.600 -0.010 0.000 1.564 264 M HN 0.341 nan 8.290 nan 0.000 0.463 265 L N 1.493 122.627 121.223 -0.150 0.000 2.131 265 L HA -0.218 4.123 4.340 0.001 0.000 0.210 265 L C 1.634 178.251 176.870 -0.423 0.000 1.092 265 L CA 1.265 55.959 54.840 -0.243 0.000 0.759 265 L CB -0.292 41.574 42.059 -0.321 0.000 0.903 265 L HN 0.692 nan 8.230 nan 0.000 0.435 266 E N -0.512 119.444 120.200 -0.408 0.000 2.267 266 E HA -0.182 4.168 4.350 0.001 0.000 0.197 266 E C 1.880 178.484 176.600 0.007 0.000 0.998 266 E CA 1.576 57.792 56.400 -0.307 0.000 0.830 266 E CB -0.218 29.437 29.700 -0.075 0.000 0.751 266 E HN 0.504 nan 8.360 nan 0.000 0.491 267 T N -2.036 112.543 114.554 0.041 0.000 3.122 267 T HA 0.202 4.553 4.350 0.001 0.000 0.250 267 T C 0.710 175.555 174.700 0.242 0.000 1.067 267 T CA -0.326 61.865 62.100 0.152 0.000 0.966 267 T CB -0.356 68.577 68.868 0.108 0.000 1.002 267 T HN -0.050 nan 8.240 nan 0.000 0.542 268 I N 1.961 122.655 120.570 0.206 0.000 2.710 268 I HA 0.188 4.358 4.170 0.001 0.000 0.286 268 I C 0.412 176.647 176.117 0.196 0.000 1.181 268 I CA -0.036 61.388 61.300 0.207 0.000 1.430 268 I CB 0.500 38.615 38.000 0.191 0.000 1.367 268 I HN 0.141 nan 8.210 nan 0.000 0.577 269 K N 5.819 126.257 120.400 0.063 0.000 2.270 269 K HA 0.593 4.914 4.320 0.001 0.000 0.255 269 K C -1.396 175.102 176.600 -0.170 0.000 0.936 269 K CA -0.627 55.521 56.287 -0.231 0.000 0.809 269 K CB 2.246 34.467 32.500 -0.465 0.000 1.131 269 K HN 0.427 nan 8.250 nan 0.000 0.427 270 V N 3.082 122.856 119.914 -0.233 0.000 2.630 270 V HA 0.652 4.772 4.120 0.001 0.000 0.305 270 V C -0.932 175.041 176.094 -0.201 0.000 1.046 270 V CA -0.061 62.129 62.300 -0.183 0.000 0.934 270 V CB 1.728 33.459 31.823 -0.153 0.000 1.003 270 V HN 1.000 nan 8.190 nan 0.000 0.451 271 S N 4.792 120.407 115.700 -0.141 0.000 2.627 271 S HA 0.668 5.138 4.470 0.001 0.000 0.283 271 S C -2.465 172.082 174.600 -0.088 0.000 1.127 271 S CA -1.263 56.865 58.200 -0.120 0.000 0.863 271 S CB 1.907 65.049 63.200 -0.096 0.000 1.121 271 S HN 0.474 nan 8.310 nan 0.000 0.479 272 P HA -0.075 nan 4.420 nan 0.000 0.219 272 P C 1.288 178.563 177.300 -0.042 0.000 1.146 272 P CA 1.136 64.201 63.100 -0.058 0.000 0.808 272 P CB 0.059 31.730 31.700 -0.048 0.000 0.779 273 Q N -1.093 118.689 119.800 -0.032 0.000 2.224 273 Q HA -0.058 4.283 4.340 0.001 0.000 0.203 273 Q C 1.769 177.772 176.000 0.004 0.000 0.970 273 Q CA 1.929 57.726 55.803 -0.010 0.000 0.865 273 Q CB -1.075 27.663 28.738 -0.001 0.000 0.922 273 Q HN 0.404 nan 8.270 nan 0.000 0.445 274 T N -3.701 110.848 114.554 -0.009 0.000 3.001 274 T HA 0.096 4.447 4.350 0.001 0.000 0.251 274 T C 1.671 176.298 174.700 -0.122 0.000 1.040 274 T CA 0.240 62.343 62.100 0.005 0.000 0.985 274 T CB 0.046 68.965 68.868 0.085 0.000 1.011 274 T HN -0.061 nan 8.240 nan 0.000 0.509 275 M N 3.468 123.000 119.600 -0.114 0.000 2.226 275 M HA -0.184 4.296 4.480 0.001 0.000 0.257 275 M C 1.115 177.345 176.300 -0.117 0.000 1.070 275 M CA 2.071 57.294 55.300 -0.128 0.000 1.087 275 M CB -1.029 31.516 32.600 -0.092 0.000 1.278 275 M HN 0.126 nan 8.290 nan 0.000 0.426 276 D N -0.517 119.841 120.400 -0.070 0.000 2.123 276 D HA -0.069 4.571 4.640 0.001 0.000 0.196 276 D C 1.998 178.273 176.300 -0.042 0.000 0.992 276 D CA 1.720 55.692 54.000 -0.046 0.000 0.833 276 D CB -0.886 39.900 40.800 -0.023 0.000 0.954 276 D HN 0.636 nan 8.370 nan 0.000 0.455 277 G N 0.294 109.075 108.800 -0.031 0.000 2.408 277 G HA2 -0.168 3.792 3.960 0.001 0.000 0.217 277 G HA3 -0.168 3.792 3.960 0.001 0.000 0.217 277 G C 1.688 176.546 174.900 -0.071 0.000 1.150 277 G CA 0.241 45.355 45.100 0.024 0.000 0.776 277 G HN 0.248 nan 8.290 nan 0.000 0.542 278 I N 0.376 120.755 120.570 -0.318 0.000 2.179 278 I HA -0.141 4.030 4.170 0.001 0.000 0.242 278 I C 2.703 178.731 176.117 -0.148 0.000 1.088 278 I CA 0.758 61.811 61.300 -0.412 0.000 1.357 278 I CB -0.224 37.454 38.000 -0.536 0.000 1.051 278 I HN 0.117 nan 8.210 nan 0.000 0.409 279 L N 0.407 121.568 121.223 -0.103 0.000 2.046 279 L HA -0.237 4.104 4.340 0.001 0.000 0.208 279 L C 2.616 179.479 176.870 -0.012 0.000 1.077 279 L CA 1.206 56.025 54.840 -0.035 0.000 0.747 279 L CB -0.607 41.434 42.059 -0.030 0.000 0.896 279 L HN 0.180 nan 8.230 nan 0.000 0.432 280 K N 0.238 120.629 120.400 -0.015 0.000 2.063 280 K HA -0.140 4.181 4.320 0.001 0.000 0.208 280 K C 2.209 178.811 176.600 0.003 0.000 1.048 280 K CA 1.844 58.131 56.287 -0.001 0.000 0.928 280 K CB -0.395 32.111 32.500 0.010 0.000 0.713 280 K HN 0.049 nan 8.250 nan 0.000 0.442 281 S N 0.162 115.871 115.700 0.015 0.000 2.368 281 S HA -0.056 4.414 4.470 0.001 0.000 0.225 281 S C 1.898 176.498 174.600 0.000 0.000 1.030 281 S CA 1.428 59.646 58.200 0.030 0.000 0.999 281 S CB -0.318 62.936 63.200 0.090 0.000 0.844 281 S HN 0.291 nan 8.310 nan 0.000 0.459 282 I N 1.389 121.959 120.570 0.000 0.000 2.208 282 I HA -0.195 3.975 4.170 0.001 0.000 0.245 282 I C 1.961 178.036 176.117 -0.071 0.000 1.097 282 I CA 1.090 62.387 61.300 -0.005 0.000 1.363 282 I CB -0.326 37.717 38.000 0.072 0.000 1.051 282 I HN 0.234 nan 8.210 nan 0.000 0.413 283 L N 0.356 121.552 121.223 -0.044 0.000 2.141 283 L HA -0.212 4.128 4.340 0.001 0.000 0.209 283 L C 2.569 179.376 176.870 -0.104 0.000 1.094 283 L CA 1.174 55.967 54.840 -0.079 0.000 0.763 283 L CB -0.576 41.466 42.059 -0.028 0.000 0.908 283 L HN 0.235 nan 8.230 nan 0.000 0.437 284 K N 0.333 120.690 120.400 -0.071 0.000 2.032 284 K HA -0.178 4.142 4.320 0.001 0.000 0.209 284 K C 1.977 178.514 176.600 -0.106 0.000 1.048 284 K CA 1.669 57.915 56.287 -0.068 0.000 0.927 284 K CB -0.004 32.474 32.500 -0.036 0.000 0.712 284 K HN 0.090 nan 8.250 nan 0.000 0.441 285 V N 1.699 121.535 119.914 -0.130 0.000 2.358 285 V HA -0.224 3.897 4.120 0.001 0.000 0.246 285 V C 2.453 178.366 176.094 -0.301 0.000 1.047 285 V CA 1.872 64.065 62.300 -0.178 0.000 1.035 285 V CB -0.543 31.186 31.823 -0.157 0.000 0.658 285 V HN 0.408 nan 8.190 nan 0.000 0.452 286 K N 0.588 120.751 120.400 -0.396 0.000 2.034 286 K HA -0.316 4.004 4.320 0.001 0.000 0.214 286 K C 2.323 178.722 176.600 -0.336 0.000 1.051 286 K CA 2.397 58.361 56.287 -0.539 0.000 0.931 286 K CB -0.218 31.911 32.500 -0.618 0.000 0.715 286 K HN 0.411 nan 8.250 nan 0.000 0.446 287 K N -0.132 120.139 120.400 -0.215 0.000 2.026 287 K HA -0.144 4.176 4.320 0.001 0.000 0.208 287 K C 1.972 178.503 176.600 -0.115 0.000 1.048 287 K CA 1.442 57.649 56.287 -0.134 0.000 0.929 287 K CB -0.225 32.220 32.500 -0.092 0.000 0.713 287 K HN 0.242 nan 8.250 nan 0.000 0.439 288 A N 0.678 123.427 122.820 -0.118 0.000 1.930 288 A HA -0.063 4.257 4.320 0.001 0.000 0.217 288 A C 1.959 179.494 177.584 -0.082 0.000 1.175 288 A CA 1.174 53.162 52.037 -0.082 0.000 0.627 288 A CB -0.280 18.678 19.000 -0.069 0.000 0.815 288 A HN 0.359 nan 8.150 nan 0.000 0.443 289 L N -1.850 119.285 121.223 -0.147 0.000 2.590 289 L HA 0.229 4.570 4.340 0.001 0.000 0.227 289 L C 1.449 178.254 176.870 -0.109 0.000 1.099 289 L CA 0.506 55.266 54.840 -0.133 0.000 0.872 289 L CB 0.051 41.954 42.059 -0.260 0.000 1.088 289 L HN 0.568 nan 8.230 nan 0.000 0.479 290 G N 1.323 110.034 108.800 -0.149 0.000 2.225 290 G HA2 -0.281 3.679 3.960 0.001 0.000 0.264 290 G HA3 -0.281 3.679 3.960 0.001 0.000 0.264 290 G C 0.265 175.115 174.900 -0.082 0.000 1.060 290 G CA -0.020 45.046 45.100 -0.057 0.000 0.833 290 G HN 0.188 nan 8.290 nan 0.000 0.498 291 M N -0.912 118.360 119.600 -0.547 0.000 2.232 291 M HA 0.594 5.074 4.480 0.001 0.000 0.321 291 M C 0.648 176.752 176.300 -0.327 0.000 1.101 291 M CA 0.423 55.054 55.300 -1.115 0.000 1.181 291 M CB 0.351 31.951 32.600 -1.666 0.000 1.432 291 M HN 0.598 nan 8.290 nan 0.000 0.457 292 F N -0.765 119.142 119.950 -0.071 0.000 2.693 292 F HA 0.607 5.135 4.527 0.001 0.000 0.309 292 F C -1.349 174.731 175.800 0.467 0.000 1.129 292 F CA -1.562 56.586 58.000 0.247 0.000 0.948 292 F CB 0.673 39.785 39.000 0.188 0.000 1.315 292 F HN 0.197 nan 8.300 nan 0.000 0.447 293 I N 2.359 123.232 120.570 0.505 0.000 2.416 293 I HA 0.180 4.351 4.170 0.001 0.000 0.288 293 I C 0.791 177.177 176.117 0.447 0.000 1.051 293 I CA 0.176 61.652 61.300 0.294 0.000 1.375 293 I CB 0.811 38.900 38.000 0.149 0.000 1.407 293 I HN 0.797 nan 8.210 nan 0.000 0.516 294 S N 4.272 120.184 115.700 0.354 0.000 2.580 294 S HA 0.036 4.506 4.470 0.001 0.000 0.266 294 S C 0.620 175.369 174.600 0.248 0.000 1.354 294 S CA -0.261 58.165 58.200 0.377 0.000 1.008 294 S CB 0.429 63.769 63.200 0.233 0.000 0.898 294 S HN 0.707 nan 8.310 nan 0.000 0.555 295 D N 0.557 121.090 120.400 0.221 0.000 2.593 295 D HA 0.160 4.800 4.640 0.001 0.000 0.241 295 D C -0.510 175.859 176.300 0.115 0.000 1.257 295 D CA -0.231 53.870 54.000 0.168 0.000 0.828 295 D CB -0.211 40.736 40.800 0.245 0.000 1.049 295 D HN 0.240 nan 8.370 nan 0.000 0.490 296 T N 2.360 116.980 114.554 0.111 0.000 2.772 296 T HA 0.437 4.788 4.350 0.001 0.000 0.288 296 T C -2.633 172.096 174.700 0.048 0.000 0.994 296 T CA -1.348 60.797 62.100 0.075 0.000 0.951 296 T CB 1.925 70.842 68.868 0.083 0.000 0.933 296 T HN -0.036 nan 8.240 nan 0.000 0.447 297 P HA 0.485 nan 4.420 nan 0.000 0.269 297 P C 0.648 177.952 177.300 0.006 0.000 1.215 297 P CA 0.554 63.660 63.100 0.010 0.000 0.780 297 P CB 0.573 32.273 31.700 0.000 0.000 0.898 298 G N 0.686 109.484 108.800 -0.004 0.000 2.265 298 G HA2 -0.076 3.884 3.960 0.001 0.000 0.246 298 G HA3 -0.076 3.884 3.960 0.001 0.000 0.246 298 G C -1.158 173.732 174.900 -0.017 0.000 1.299 298 G CA -0.768 44.325 45.100 -0.011 0.000 1.117 298 G HN 0.481 nan 8.290 nan 0.000 0.485 299 E N 0.763 120.950 120.200 -0.021 0.000 2.415 299 E HA 0.282 4.632 4.350 0.001 0.000 0.262 299 E C 0.460 177.047 176.600 -0.021 0.000 1.038 299 E CA 0.077 56.460 56.400 -0.027 0.000 0.921 299 E CB 0.595 30.273 29.700 -0.038 0.000 0.950 299 E HN 0.387 nan 8.360 nan 0.000 0.438 300 R N 2.261 122.751 120.500 -0.017 0.000 2.438 300 R HA 0.041 4.381 4.340 0.001 0.000 0.287 300 R C 0.334 176.637 176.300 0.004 0.000 1.077 300 R CA -0.468 55.632 56.100 -0.000 0.000 1.034 300 R CB 0.216 30.518 30.300 0.004 0.000 0.993 300 R HN 0.547 nan 8.270 nan 0.000 0.459 301 N N 3.201 121.909 118.700 0.012 0.000 2.354 301 N HA 0.090 4.830 4.740 0.001 0.000 0.246 301 N C -2.153 173.440 175.510 0.138 0.000 1.285 301 N CA -1.460 51.592 53.050 0.005 0.000 0.925 301 N CB 0.181 38.619 38.487 -0.082 0.000 1.174 301 N HN 0.121 nan 8.380 nan 0.000 0.478 302 P HA -0.132 nan 4.420 nan 0.000 0.218 302 P C 0.830 178.361 177.300 0.384 0.000 1.148 302 P CA 1.072 64.360 63.100 0.313 0.000 0.822 302 P CB -0.144 31.768 31.700 0.353 0.000 0.784 303 Y N 1.256 121.746 120.300 0.316 0.000 2.184 303 Y HA -0.117 4.433 4.550 0.001 0.000 0.290 303 Y C 2.010 177.979 175.900 0.116 0.000 1.129 303 Y CA 1.295 59.478 58.100 0.139 0.000 1.144 303 Y CB -0.881 37.565 38.460 -0.024 0.000 0.995 303 Y HN -0.022 nan 8.280 nan 0.000 0.513 304 E N -0.211 119.984 120.200 -0.008 0.000 2.085 304 E HA -0.281 4.070 4.350 0.001 0.000 0.194 304 E C 1.995 178.596 176.600 0.002 0.000 0.994 304 E CA 1.477 57.823 56.400 -0.090 0.000 0.801 304 E CB -0.300 29.405 29.700 0.009 0.000 0.743 304 E HN 0.406 nan 8.360 nan 0.000 0.453 305 N N 0.983 119.724 118.700 0.068 0.000 2.106 305 N HA -0.121 4.620 4.740 0.001 0.000 0.188 305 N C 1.714 177.239 175.510 0.024 0.000 1.029 305 N CA 0.834 53.923 53.050 0.065 0.000 0.848 305 N CB -0.090 38.460 38.487 0.106 0.000 1.007 305 N HN 0.141 nan 8.380 nan 0.000 0.423 306 I N -0.485 120.138 120.570 0.088 0.000 2.353 306 I HA -0.168 4.003 4.170 0.001 0.000 0.248 306 I C 1.863 177.981 176.117 0.002 0.000 1.119 306 I CA 0.626 61.969 61.300 0.070 0.000 1.417 306 I CB -0.034 38.110 38.000 0.241 0.000 1.078 306 I HN 0.182 nan 8.210 nan 0.000 0.421 307 L N 0.161 121.367 121.223 -0.029 0.000 2.046 307 L HA -0.272 4.068 4.340 0.001 0.000 0.208 307 L C 2.290 179.115 176.870 -0.075 0.000 1.077 307 L CA 2.005 56.790 54.840 -0.091 0.000 0.747 307 L CB -1.075 40.810 42.059 -0.290 0.000 0.896 307 L HN 0.312 nan 8.230 nan 0.000 0.432 308 Y N 0.318 120.559 120.300 -0.099 0.000 2.114 308 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 308 Y C 2.541 178.373 175.900 -0.113 0.000 1.143 308 Y CA 2.232 60.289 58.100 -0.072 0.000 1.135 308 Y CB -0.072 38.360 38.460 -0.046 0.000 0.980 308 Y HN 0.148 nan 8.280 nan 0.000 0.499 309 K N -0.156 120.247 120.400 0.006 0.000 2.057 309 K HA -0.157 4.164 4.320 0.001 0.000 0.207 309 K C 2.030 178.540 176.600 -0.151 0.000 1.049 309 K CA 1.893 58.120 56.287 -0.101 0.000 0.931 309 K CB -0.267 32.033 32.500 -0.333 0.000 0.714 309 K HN 0.360 nan 8.250 nan 0.000 0.440 310 I N 0.555 121.042 120.570 -0.139 0.000 2.252 310 I HA -0.307 3.864 4.170 0.001 0.000 0.245 310 I C 2.132 178.158 176.117 -0.152 0.000 1.102 310 I CA 0.865 62.094 61.300 -0.117 0.000 1.385 310 I CB -0.206 37.745 38.000 -0.082 0.000 1.064 310 I HN 0.226 nan 8.210 nan 0.000 0.414 311 C N 0.352 119.534 119.300 -0.197 0.000 2.437 311 C HA -0.071 4.390 4.460 0.001 0.000 0.283 311 C C 2.619 177.436 174.990 -0.288 0.000 1.424 311 C CA 0.042 58.924 59.018 -0.227 0.000 1.782 311 C CB -1.075 26.527 27.740 -0.229 0.000 1.833 311 C HN 0.482 nan 8.230 nan 0.000 0.532 312 L N 0.854 121.879 121.223 -0.329 0.000 2.131 312 L HA 0.029 4.369 4.340 0.001 0.000 0.210 312 L C 0.949 177.709 176.870 -0.184 0.000 1.092 312 L CA 1.838 56.502 54.840 -0.294 0.000 0.759 312 L CB -0.160 41.777 42.059 -0.204 0.000 0.903 312 L HN 0.346 nan 8.230 nan 0.000 0.435 313 S N -2.529 113.084 115.700 -0.145 0.000 2.548 313 S HA 0.524 4.994 4.470 0.001 0.000 0.278 313 S C 0.454 174.990 174.600 -0.107 0.000 1.150 313 S CA -0.335 57.799 58.200 -0.110 0.000 0.907 313 S CB 1.029 64.181 63.200 -0.081 0.000 1.108 313 S HN 0.197 nan 8.310 nan 0.000 0.459 314 G N 1.493 110.233 108.800 -0.099 0.000 3.026 314 G HA2 0.220 4.181 3.960 0.001 0.000 0.208 314 G HA3 0.220 4.181 3.960 0.001 0.000 0.208 314 G C -0.153 174.680 174.900 -0.112 0.000 1.169 314 G CA 0.132 45.171 45.100 -0.101 0.000 0.788 314 G HN 0.630 nan 8.290 nan 0.000 0.533 315 D N -0.635 119.696 120.400 -0.115 0.000 2.328 315 D HA 0.502 5.142 4.640 0.001 0.000 0.243 315 D C 0.264 176.471 176.300 -0.155 0.000 1.324 315 D CA 0.293 54.208 54.000 -0.142 0.000 0.966 315 D CB 0.560 41.298 40.800 -0.103 0.000 1.324 315 D HN 0.270 nan 8.370 nan 0.000 0.549 316 G N 1.239 109.887 108.800 -0.253 0.000 2.336 316 G HA2 0.171 4.132 3.960 0.001 0.000 0.286 316 G HA3 0.171 4.132 3.960 0.001 0.000 0.286 316 G C -1.602 173.108 174.900 -0.317 0.000 1.269 316 G CA -0.892 44.069 45.100 -0.231 0.000 0.873 316 G HN 0.074 nan 8.290 nan 0.000 0.494 317 W N 0.988 122.309 121.300 0.035 0.000 2.299 317 W HA 0.391 5.051 4.660 -0.001 0.000 0.319 317 W C -2.199 174.367 176.519 0.078 0.000 1.008 317 W CA -1.386 56.000 57.345 0.068 0.000 1.384 317 W CB 1.900 31.403 29.460 0.072 0.000 1.220 317 W HN 0.325 nan 8.180 nan 0.000 0.402 318 P HA -0.175 nan 4.420 nan 0.000 0.220 318 P C 1.001 178.336 177.300 0.057 0.000 1.148 318 P CA 1.724 64.875 63.100 0.085 0.000 0.803 318 P CB 0.209 31.910 31.700 0.002 0.000 0.782 319 Y N -1.230 119.154 120.300 0.141 0.000 2.436 319 Y HA 0.094 4.644 4.550 0.001 0.000 0.288 319 Y C 1.907 177.868 175.900 0.102 0.000 1.112 319 Y CA 0.424 58.596 58.100 0.120 0.000 1.220 319 Y CB -0.153 38.382 38.460 0.126 0.000 1.073 319 Y HN -0.097 nan 8.280 nan 0.000 0.552 320 I N -3.843 116.893 120.570 0.276 0.000 4.439 320 I HA 0.523 4.694 4.170 0.001 0.000 0.331 320 I C 0.740 176.909 176.117 0.087 0.000 1.345 320 I CA -0.625 60.768 61.300 0.156 0.000 1.193 320 I CB -0.241 37.830 38.000 0.118 0.000 1.221 320 I HN -0.160 nan 8.210 nan 0.000 0.429 321 A N 0.934 123.849 122.820 0.158 0.000 2.313 321 A HA 0.603 4.923 4.320 0.001 0.000 0.261 321 A C 0.508 178.128 177.584 0.061 0.000 1.090 321 A CA -0.014 52.097 52.037 0.122 0.000 0.807 321 A CB 0.194 19.382 19.000 0.314 0.000 1.055 321 A HN 0.299 nan 8.150 nan 0.000 0.492 322 S N -0.400 115.318 115.700 0.029 0.000 2.506 322 S HA 0.116 4.586 4.470 0.001 0.000 0.291 322 S C 0.855 175.473 174.600 0.029 0.000 1.230 322 S CA 0.023 58.229 58.200 0.010 0.000 1.107 322 S CB -0.375 62.822 63.200 -0.004 0.000 0.942 322 S HN 0.580 nan 8.310 nan 0.000 0.502 323 R N 2.136 122.642 120.500 0.011 0.000 2.509 323 R HA 0.108 4.449 4.340 0.001 0.000 0.300 323 R C 1.838 178.128 176.300 -0.017 0.000 0.985 323 R CA 0.539 56.645 56.100 0.009 0.000 1.092 323 R CB 0.209 30.519 30.300 0.016 0.000 1.237 323 R HN 0.785 nan 8.270 nan 0.000 0.546 324 T N -3.337 111.198 114.554 -0.031 0.000 3.085 324 T HA 0.041 4.392 4.350 0.001 0.000 0.263 324 T C 1.517 176.187 174.700 -0.050 0.000 1.127 324 T CA 0.776 62.842 62.100 -0.056 0.000 1.103 324 T CB 0.158 68.983 68.868 -0.071 0.000 0.921 324 T HN -0.100 nan 8.240 nan 0.000 0.510 325 S N 0.646 116.327 115.700 -0.032 0.000 2.535 325 S HA 0.372 4.843 4.470 0.001 0.000 0.214 325 S C 0.661 175.243 174.600 -0.031 0.000 0.980 325 S CA -0.466 57.717 58.200 -0.030 0.000 0.907 325 S CB -0.082 63.107 63.200 -0.018 0.000 0.790 325 S HN 0.478 nan 8.310 nan 0.000 0.510 326 I N 4.033 124.584 120.570 -0.032 0.000 2.618 326 I HA 0.073 4.243 4.170 0.001 0.000 0.284 326 I C 0.999 177.085 176.117 -0.051 0.000 1.146 326 I CA 0.326 61.602 61.300 -0.040 0.000 1.425 326 I CB -0.020 37.956 38.000 -0.041 0.000 1.383 326 I HN 0.165 nan 8.210 nan 0.000 0.562 327 T N 2.172 116.692 114.554 -0.056 0.000 2.928 327 T HA 0.723 5.073 4.350 0.001 0.000 0.284 327 T C 0.296 174.944 174.700 -0.087 0.000 1.008 327 T CA -0.023 62.040 62.100 -0.062 0.000 1.057 327 T CB 1.880 70.717 68.868 -0.051 0.000 1.018 327 T HN 1.207 nan 8.240 nan 0.000 0.493 328 G N 1.630 110.372 108.800 -0.096 0.000 2.746 328 G HA2 -0.018 3.943 3.960 0.001 0.000 0.685 328 G HA3 -0.018 3.943 3.960 0.001 0.000 0.685 328 G C -0.734 174.030 174.900 -0.226 0.000 1.350 328 G CA -1.024 43.987 45.100 -0.147 0.000 0.837 328 G HN 0.855 nan 8.290 nan 0.000 0.564 329 R N 0.114 120.375 120.500 -0.398 0.000 2.691 329 R HA 0.735 5.076 4.340 0.001 0.000 0.259 329 R C 1.761 177.594 176.300 -0.777 0.000 1.048 329 R CA -0.057 55.638 56.100 -0.675 0.000 1.086 329 R CB 0.828 30.340 30.300 -1.312 0.000 1.166 329 R HN 1.145 nan 8.270 nan 0.000 0.526 330 A N 0.975 123.199 122.820 -0.993 0.000 1.940 330 A HA -0.177 4.144 4.320 0.001 0.000 0.219 330 A C 1.679 178.988 177.584 -0.458 0.000 1.176 330 A CA 1.732 53.249 52.037 -0.867 0.000 0.631 330 A CB -0.701 17.415 19.000 -1.473 0.000 0.814 330 A HN 0.866 nan 8.150 nan 0.000 0.446 331 W N -0.086 121.106 121.300 -0.180 0.000 2.699 331 W HA 0.196 4.857 4.660 0.002 0.000 0.249 331 W C 1.172 177.655 176.519 -0.061 0.000 1.280 331 W CA 0.744 58.035 57.345 -0.090 0.000 1.345 331 W CB -0.308 29.134 29.460 -0.030 0.000 1.128 331 W HN 0.376 nan 8.180 nan 0.000 0.642 332 E N 0.469 120.531 120.200 -0.231 0.000 2.216 332 E HA -0.068 4.283 4.350 0.001 0.000 0.192 332 E C 1.523 178.058 176.600 -0.108 0.000 0.973 332 E CA 0.628 56.964 56.400 -0.107 0.000 0.851 332 E CB -0.122 29.481 29.700 -0.163 0.000 0.804 332 E HN 0.196 nan 8.360 nan 0.000 0.477 333 N N 0.098 118.693 118.700 -0.174 0.000 2.392 333 N HA 0.015 4.755 4.740 0.001 0.000 0.177 333 N C -0.295 175.147 175.510 -0.113 0.000 1.066 333 N CA 0.620 53.583 53.050 -0.145 0.000 0.895 333 N CB 0.904 39.281 38.487 -0.182 0.000 0.988 333 N HN -0.083 nan 8.380 nan 0.000 0.457 334 T N 1.013 115.503 114.554 -0.107 0.000 2.840 334 T HA 0.502 4.853 4.350 0.001 0.000 0.287 334 T C -0.354 174.329 174.700 -0.028 0.000 0.991 334 T CA -0.716 61.341 62.100 -0.072 0.000 0.964 334 T CB 2.103 70.917 68.868 -0.090 0.000 0.954 334 T HN -0.057 nan 8.240 nan 0.000 0.438 335 V N 1.049 120.953 119.914 -0.016 0.000 2.735 335 V HA 0.846 4.967 4.120 0.001 0.000 0.310 335 V C -0.548 175.549 176.094 0.005 0.000 1.061 335 V CA -0.953 61.351 62.300 0.007 0.000 0.913 335 V CB 1.831 33.661 31.823 0.012 0.000 1.005 335 V HN 0.567 nan 8.190 nan 0.000 0.428 336 V N 4.131 124.054 119.914 0.014 0.000 2.364 336 V HA 0.389 4.509 4.120 0.001 0.000 0.272 336 V C 0.202 176.302 176.094 0.011 0.000 1.036 336 V CA 0.038 62.345 62.300 0.011 0.000 0.880 336 V CB 0.846 32.679 31.823 0.015 0.000 0.991 336 V HN 1.087 nan 8.190 nan 0.000 0.460 365 L N 2.038 123.229 121.223 -0.054 0.000 2.395 365 L HA 0.501 4.842 4.340 0.001 0.000 0.269 365 L C 1.569 178.417 176.870 -0.037 0.000 1.133 365 L CA -0.055 54.749 54.840 -0.061 0.000 0.812 365 L CB 1.228 43.233 42.059 -0.090 0.000 1.125 365 L HN 0.816 nan 8.230 nan 0.000 0.452 366 T N -1.402 113.133 114.554 -0.032 0.000 2.726 366 T HA 0.028 4.379 4.350 0.001 0.000 0.294 366 T C 1.057 175.768 174.700 0.019 0.000 1.013 366 T CA 0.037 62.141 62.100 0.007 0.000 0.996 366 T CB 0.183 69.056 68.868 0.009 0.000 1.016 366 T HN 0.524 nan 8.240 nan 0.000 0.529 367 Y N 1.025 121.303 120.300 -0.037 0.000 2.165 367 Y HA -0.146 4.404 4.550 0.001 0.000 0.286 367 Y C 2.682 178.558 175.900 -0.039 0.000 1.155 367 Y CA 2.187 60.267 58.100 -0.034 0.000 1.164 367 Y CB -0.786 37.659 38.460 -0.025 0.000 0.978 367 Y HN 0.672 nan 8.280 nan 0.000 0.513 368 S N 0.249 115.903 115.700 -0.077 0.000 2.368 368 S HA -0.232 4.238 4.470 0.001 0.000 0.224 368 S C 1.818 176.294 174.600 -0.207 0.000 1.029 368 S CA 1.502 59.609 58.200 -0.155 0.000 0.988 368 S CB -0.357 62.823 63.200 -0.034 0.000 0.838 368 S HN 0.598 nan 8.310 nan 0.000 0.462 369 Q N 0.621 120.327 119.800 -0.156 0.000 2.096 369 Q HA -0.054 4.287 4.340 0.001 0.000 0.204 369 Q C 2.175 178.069 176.000 -0.176 0.000 0.982 369 Q CA 1.114 56.826 55.803 -0.152 0.000 0.850 369 Q CB -0.424 28.245 28.738 -0.115 0.000 0.901 369 Q HN 0.482 nan 8.270 nan 0.000 0.422 370 L N -0.245 120.856 121.223 -0.204 0.000 2.046 370 L HA -0.202 4.138 4.340 0.001 0.000 0.208 370 L C 2.449 179.179 176.870 -0.235 0.000 1.077 370 L CA 0.665 55.382 54.840 -0.204 0.000 0.747 370 L CB -0.405 41.540 42.059 -0.189 0.000 0.896 370 L HN 0.331 nan 8.230 nan 0.000 0.432 371 M N -0.655 118.740 119.600 -0.342 0.000 2.080 371 M HA -0.170 4.310 4.480 0.001 0.000 0.260 371 M C 2.400 178.593 176.300 -0.178 0.000 1.068 371 M CA 1.931 57.060 55.300 -0.286 0.000 1.109 371 M CB -1.628 30.758 32.600 -0.357 0.000 1.342 371 M HN 0.231 nan 8.290 nan 0.000 0.405 372 T N 1.550 116.001 114.554 -0.172 0.000 2.720 372 T HA -0.147 4.204 4.350 0.001 0.000 0.268 372 T C 1.880 176.515 174.700 -0.108 0.000 1.037 372 T CA 1.336 63.360 62.100 -0.126 0.000 1.144 372 T CB -0.437 68.352 68.868 -0.132 0.000 0.864 372 T HN 0.249 nan 8.240 nan 0.000 0.444 373 L N 1.166 122.315 121.223 -0.124 0.000 1.994 373 L HA -0.029 4.311 4.340 0.001 0.000 0.208 373 L C 2.240 179.053 176.870 -0.094 0.000 1.071 373 L CA 1.843 56.614 54.840 -0.114 0.000 0.745 373 L CB -0.475 41.501 42.059 -0.138 0.000 0.892 373 L HN 0.079 nan 8.230 nan 0.000 0.431 374 K N -0.558 119.784 120.400 -0.097 0.000 2.103 374 K HA -0.182 4.138 4.320 0.001 0.000 0.207 374 K C 1.775 178.342 176.600 -0.055 0.000 1.048 374 K CA 1.631 57.873 56.287 -0.074 0.000 0.930 374 K CB -0.289 32.165 32.500 -0.077 0.000 0.716 374 K HN 0.361 nan 8.250 nan 0.000 0.444 375 D N 0.488 120.852 120.400 -0.060 0.000 2.117 375 D HA -0.084 4.556 4.640 0.001 0.000 0.198 375 D C 1.813 178.095 176.300 -0.030 0.000 0.982 375 D CA 1.176 55.152 54.000 -0.040 0.000 0.828 375 D CB -0.173 40.601 40.800 -0.043 0.000 0.967 375 D HN 0.193 nan 8.370 nan 0.000 0.464 376 A N 0.739 123.535 122.820 -0.041 0.000 1.908 376 A HA -0.176 4.145 4.320 0.001 0.000 0.218 376 A C 2.069 179.637 177.584 -0.027 0.000 1.181 376 A CA 1.266 53.284 52.037 -0.033 0.000 0.627 376 A CB -0.460 18.513 19.000 -0.046 0.000 0.818 376 A HN 0.132 nan 8.150 nan 0.000 0.445 377 M N -0.238 119.342 119.600 -0.032 0.000 2.460 377 M HA -0.010 4.470 4.480 0.001 0.000 0.263 377 M C 1.719 178.014 176.300 -0.009 0.000 1.071 377 M CA 0.865 56.150 55.300 -0.025 0.000 1.096 377 M CB -1.078 31.503 32.600 -0.032 0.000 1.408 377 M HN 0.412 nan 8.290 nan 0.000 0.463 378 L N -0.410 120.815 121.223 0.003 0.000 2.353 378 L HA -0.198 4.142 4.340 0.001 0.000 0.220 378 L C 2.452 179.358 176.870 0.060 0.000 1.133 378 L CA 0.802 55.661 54.840 0.032 0.000 0.798 378 L CB -0.741 41.335 42.059 0.029 0.000 0.922 378 L HN 0.427 nan 8.230 nan 0.000 0.445 379 Q N 0.788 120.609 119.800 0.035 0.000 2.226 379 Q HA -0.098 4.242 4.340 0.001 0.000 0.204 379 Q C 0.904 176.920 176.000 0.026 0.000 0.975 379 Q CA 0.561 56.392 55.803 0.046 0.000 0.866 379 Q CB 0.117 28.865 28.738 0.017 0.000 0.915 379 Q HN 0.456 nan 8.270 nan 0.000 0.440 380 L N 2.258 123.467 121.223 -0.023 0.000 2.453 380 L HA 0.009 4.349 4.340 0.001 0.000 0.272 380 L C 0.027 176.740 176.870 -0.262 0.000 1.182 380 L CA -0.333 54.447 54.840 -0.101 0.000 0.858 380 L CB 0.296 42.306 42.059 -0.081 0.000 1.120 380 L HN 0.129 nan 8.230 nan 0.000 0.474 381 D N 5.397 125.530 120.400 -0.444 0.000 2.347 381 D HA 0.159 4.799 4.640 0.001 0.000 0.235 381 D C -1.636 174.354 176.300 -0.516 0.000 1.149 381 D CA -2.209 51.211 54.000 -0.966 0.000 0.850 381 D CB 1.466 41.767 40.800 -0.832 0.000 1.061 381 D HN 0.198 nan 8.370 nan 0.000 0.487 382 P HA -0.032 nan 4.420 nan 0.000 0.233 382 P C 0.082 177.290 177.300 -0.153 0.000 1.167 382 P CA 0.627 63.611 63.100 -0.194 0.000 0.770 382 P CB 0.354 31.990 31.700 -0.107 0.000 0.837 383 N N -0.221 118.369 118.700 -0.182 0.000 2.373 383 N HA 0.141 4.881 4.740 0.001 0.000 0.181 383 N C 0.808 176.253 175.510 -0.108 0.000 1.082 383 N CA -0.097 52.891 53.050 -0.105 0.000 0.885 383 N CB -0.153 38.307 38.487 -0.045 0.000 0.977 383 N HN 0.075 nan 8.380 nan 0.000 0.462 384 A N 1.141 123.871 122.820 -0.151 0.000 2.351 384 A HA 0.164 4.484 4.320 0.001 0.000 0.257 384 A C 0.291 177.807 177.584 -0.113 0.000 1.087 384 A CA -0.417 51.546 52.037 -0.122 0.000 0.798 384 A CB 0.248 19.163 19.000 -0.143 0.000 1.033 384 A HN 0.193 nan 8.150 nan 0.000 0.488 385 K N 0.814 121.154 120.400 -0.101 0.000 2.472 385 K HA 0.177 4.498 4.320 0.001 0.000 0.280 385 K C -0.850 175.681 176.600 -0.116 0.000 1.028 385 K CA 0.839 57.053 56.287 -0.121 0.000 1.045 385 K CB 0.009 32.456 32.500 -0.089 0.000 0.902 385 K HN 0.624 nan 8.250 nan 0.000 0.478 386 T N 4.520 118.987 114.554 -0.145 0.000 2.881 386 T HA 0.246 4.597 4.350 0.001 0.000 0.291 386 T C -1.200 173.457 174.700 -0.073 0.000 0.990 386 T CA -0.593 61.468 62.100 -0.065 0.000 0.976 386 T CB 0.293 69.129 68.868 -0.053 0.000 0.970 386 T HN 0.492 nan 8.240 nan 0.000 0.438 387 W N 3.141 124.448 121.300 0.012 0.000 2.375 387 W HA 0.733 5.394 4.660 0.002 0.000 0.336 387 W C 0.212 176.773 176.519 0.070 0.000 1.160 387 W CA -0.778 56.609 57.345 0.070 0.000 1.266 387 W CB 1.073 30.618 29.460 0.141 0.000 1.195 387 W HN 0.403 nan 8.180 nan 0.000 0.599 388 M N 2.305 122.089 119.600 0.307 0.000 2.501 388 M HA 0.392 4.872 4.480 0.001 0.000 0.293 388 M C -2.054 174.375 176.300 0.215 0.000 1.192 388 M CA -0.348 55.072 55.300 0.200 0.000 0.886 388 M CB 2.229 34.896 32.600 0.112 0.000 1.710 388 M HN 0.504 nan 8.290 nan 0.000 0.457 389 D N 2.740 123.218 120.400 0.129 0.000 2.655 389 D HA 0.689 5.330 4.640 0.001 0.000 0.229 389 D C -1.667 174.657 176.300 0.041 0.000 1.229 389 D CA -0.445 53.623 54.000 0.113 0.000 0.807 389 D CB 2.303 43.152 40.800 0.081 0.000 1.514 389 D HN 0.666 nan 8.370 nan 0.000 0.444 390 I N -1.267 119.339 120.570 0.060 0.000 2.828 390 I HA 0.695 4.866 4.170 0.001 0.000 0.302 390 I C -0.992 175.179 176.117 0.090 0.000 1.101 390 I CA -0.763 60.559 61.300 0.036 0.000 1.031 390 I CB 2.275 40.295 38.000 0.034 0.000 1.231 390 I HN 0.073 nan 8.210 nan 0.000 0.427 391 E N 2.753 123.015 120.200 0.103 0.000 2.191 391 E HA 0.698 5.049 4.350 0.001 0.000 0.274 391 E C 0.064 176.778 176.600 0.191 0.000 0.948 391 E CA 0.037 56.553 56.400 0.194 0.000 0.802 391 E CB 1.894 31.746 29.700 0.254 0.000 1.137 391 E HN 1.110 nan 8.360 nan 0.000 0.397 392 G N 2.162 111.118 108.800 0.259 0.000 2.707 392 G HA2 -0.212 3.748 3.960 0.001 0.000 0.686 392 G HA3 -0.212 3.748 3.960 0.001 0.000 0.686 392 G C -0.565 174.433 174.900 0.162 0.000 1.315 392 G CA -0.803 44.436 45.100 0.232 0.000 0.832 392 G HN 0.469 nan 8.290 nan 0.000 0.573 393 R N 1.359 121.947 120.500 0.146 0.000 2.641 393 R HA 0.344 4.684 4.340 0.001 0.000 0.269 393 R C -1.072 175.285 176.300 0.095 0.000 1.074 393 R CA -0.946 55.219 56.100 0.110 0.000 1.133 393 R CB 0.780 31.139 30.300 0.100 0.000 1.029 393 R HN 0.403 nan 8.270 nan 0.000 0.488 394 P HA -0.200 nan 4.420 nan 0.000 0.220 394 P C 0.574 177.913 177.300 0.064 0.000 1.148 394 P CA 1.327 64.467 63.100 0.067 0.000 0.803 394 P CB 0.158 31.892 31.700 0.056 0.000 0.782 395 E N -0.026 120.213 120.200 0.065 0.000 2.435 395 E HA -0.093 4.257 4.350 0.001 0.000 0.195 395 E C -0.061 176.580 176.600 0.069 0.000 1.029 395 E CA 0.740 57.175 56.400 0.060 0.000 0.865 395 E CB -0.356 29.375 29.700 0.052 0.000 0.833 395 E HN 0.091 nan 8.360 nan 0.000 0.510 396 D N 1.195 121.646 120.400 0.086 0.000 3.220 396 D HA 0.225 4.865 4.640 0.001 0.000 0.309 396 D C -2.732 173.644 176.300 0.127 0.000 1.276 396 D CA -1.752 52.309 54.000 0.103 0.000 0.736 396 D CB 0.975 41.845 40.800 0.116 0.000 1.304 396 D HN -0.020 nan 8.370 nan 0.000 0.582 397 P HA 0.109 nan 4.420 nan 0.000 0.278 397 P C 0.817 178.185 177.300 0.112 0.000 1.238 397 P CA -0.396 62.766 63.100 0.104 0.000 0.794 397 P CB 1.942 33.681 31.700 0.064 0.000 0.955 398 V N -1.553 118.434 119.914 0.121 0.000 3.604 398 V HA 0.386 4.506 4.120 0.001 0.000 0.277 398 V C 0.430 176.592 176.094 0.114 0.000 1.399 398 V CA 0.437 62.822 62.300 0.142 0.000 1.034 398 V CB -0.254 31.713 31.823 0.239 0.000 0.824 398 V HN 0.552 nan 8.190 nan 0.000 0.439 399 E N 0.730 120.936 120.200 0.011 0.000 2.321 399 E HA 0.574 4.924 4.350 0.001 0.000 0.278 399 E C -1.996 174.444 176.600 -0.266 0.000 0.902 399 E CA -0.737 55.576 56.400 -0.145 0.000 0.758 399 E CB 2.513 32.248 29.700 0.059 0.000 1.213 399 E HN 0.235 nan 8.360 nan 0.000 0.426 400 I N 2.313 122.526 120.570 -0.595 0.000 2.533 400 I HA 0.666 4.837 4.170 0.001 0.000 0.290 400 I C -0.479 175.366 176.117 -0.454 0.000 1.056 400 I CA -0.760 60.197 61.300 -0.572 0.000 1.057 400 I CB 1.061 38.499 38.000 -0.938 0.000 1.240 400 I HN 0.602 nan 8.210 nan 0.000 0.423 401 A N 6.549 129.264 122.820 -0.175 0.000 2.435 401 A HA 0.943 5.264 4.320 0.001 0.000 0.304 401 A C -1.417 176.197 177.584 0.049 0.000 1.064 401 A CA -0.430 51.582 52.037 -0.041 0.000 0.727 401 A CB 1.842 20.782 19.000 -0.100 0.000 1.284 401 A HN 0.539 nan 8.150 nan 0.000 0.415 402 L N 1.360 122.664 121.223 0.136 0.000 2.381 402 L HA 0.656 4.996 4.340 0.001 0.000 0.268 402 L C -1.062 175.974 176.870 0.277 0.000 0.997 402 L CA -0.405 54.545 54.840 0.184 0.000 0.818 402 L CB 2.073 44.222 42.059 0.149 0.000 1.310 402 L HN 0.704 nan 8.230 nan 0.000 0.416 403 Y N 1.635 122.012 120.300 0.128 0.000 2.396 403 Y HA 0.478 5.028 4.550 0.001 0.000 0.332 403 Y C -1.254 174.732 175.900 0.143 0.000 1.034 403 Y CA -0.856 57.309 58.100 0.109 0.000 1.057 403 Y CB 1.925 40.389 38.460 0.008 0.000 1.220 403 Y HN 0.590 nan 8.280 nan 0.000 0.440 404 Q N 8.636 128.235 119.800 -0.335 0.000 2.456 404 Q HA 0.268 4.609 4.340 0.001 0.000 0.252 404 Q C -2.106 173.525 176.000 -0.615 0.000 1.042 404 Q CA -2.023 53.571 55.803 -0.349 0.000 0.766 404 Q CB 1.939 30.584 28.738 -0.155 0.000 1.196 404 Q HN 0.500 nan 8.270 nan 0.000 0.504 405 P HA -0.167 nan 4.420 nan 0.000 0.218 405 P C 1.390 178.559 177.300 -0.217 0.000 1.149 405 P CA 1.079 63.802 63.100 -0.629 0.000 0.817 405 P CB 0.460 31.977 31.700 -0.305 0.000 0.785 406 S N 0.254 115.865 115.700 -0.149 0.000 2.368 406 S HA -0.117 4.353 4.470 0.001 0.000 0.225 406 S C 2.075 176.655 174.600 -0.033 0.000 1.030 406 S CA 2.095 60.257 58.200 -0.062 0.000 0.999 406 S CB -0.700 62.472 63.200 -0.047 0.000 0.844 406 S HN 0.351 nan 8.310 nan 0.000 0.459 407 S N -0.919 114.753 115.700 -0.046 0.000 2.486 407 S HA 0.380 4.850 4.470 0.001 0.000 0.220 407 S C 1.589 176.205 174.600 0.026 0.000 1.011 407 S CA 0.897 59.097 58.200 0.000 0.000 0.921 407 S CB -0.019 63.182 63.200 0.001 0.000 0.785 407 S HN 1.173 nan 8.310 nan 0.000 0.517 408 G N 1.200 110.000 108.800 -0.001 0.000 2.159 408 G HA2 -0.301 3.659 3.960 0.001 0.000 0.256 408 G HA3 -0.301 3.659 3.960 0.001 0.000 0.256 408 G C 0.354 175.371 174.900 0.194 0.000 0.977 408 G CA 0.108 45.279 45.100 0.118 0.000 0.652 408 G HN 1.455 nan 8.290 nan 0.000 0.531 409 C N 0.314 119.670 119.300 0.093 0.000 2.539 409 C HA 0.916 5.376 4.460 0.001 0.000 0.392 409 C C 0.264 175.386 174.990 0.220 0.000 1.269 409 C CA -0.935 58.143 59.018 0.100 0.000 2.250 409 C CB -0.196 27.547 27.740 0.006 0.000 2.584 409 C HN 1.379 nan 8.230 nan 0.000 0.589 410 Y N 0.561 120.929 120.300 0.114 0.000 2.553 410 Y HA 0.843 5.393 4.550 -0.000 0.000 0.347 410 Y C -1.081 174.889 175.900 0.116 0.000 1.019 410 Y CA -1.925 56.254 58.100 0.132 0.000 1.032 410 Y CB 0.836 39.355 38.460 0.098 0.000 1.284 410 Y HN 0.705 nan 8.280 nan 0.000 0.466 411 I N 3.889 124.610 120.570 0.251 0.000 2.404 411 I HA 0.373 4.544 4.170 0.001 0.000 0.293 411 I C -0.932 175.410 176.117 0.376 0.000 0.992 411 I CA -0.585 60.853 61.300 0.231 0.000 1.149 411 I CB 1.600 39.731 38.000 0.218 0.000 1.315 411 I HN 0.851 nan 8.210 nan 0.000 0.446 412 H N 7.751 126.971 119.070 0.252 0.000 3.083 412 H HA 0.479 5.035 4.556 0.000 0.000 0.339 412 H C -1.918 173.432 175.328 0.036 0.000 1.020 412 H CA -0.527 55.563 56.048 0.071 0.000 1.360 412 H CB 1.666 31.530 29.762 0.170 0.000 1.811 412 H HN 0.552 nan 8.280 nan 0.000 0.493 413 F N 2.788 122.366 119.950 -0.620 0.000 2.779 413 F HA 0.677 5.204 4.527 0.000 0.000 0.316 413 F C -2.334 172.924 175.800 -0.903 0.000 1.164 413 F CA -1.120 56.431 58.000 -0.749 0.000 0.924 413 F CB 1.178 39.999 39.000 -0.300 0.000 1.348 413 F HN 0.182 nan 8.300 nan 0.000 0.467 414 F N 0.439 120.365 119.950 -0.039 0.000 2.598 414 F HA 0.805 5.332 4.527 -0.000 0.000 0.327 414 F C -0.286 175.538 175.800 0.039 0.000 1.057 414 F CA -0.973 56.975 58.000 -0.087 0.000 0.957 414 F CB 2.222 41.128 39.000 -0.157 0.000 1.278 414 F HN 0.657 nan 8.300 nan 0.000 0.484 415 R N 0.719 121.347 120.500 0.212 0.000 2.604 415 R HA 0.293 4.633 4.340 0.001 0.000 0.281 415 R C -1.300 175.046 176.300 0.077 0.000 1.020 415 R CA -0.662 55.517 56.100 0.132 0.000 0.899 415 R CB 1.832 32.209 30.300 0.127 0.000 1.205 415 R HN 0.757 nan 8.270 nan 0.000 0.450 416 E N 4.818 125.023 120.200 0.007 0.000 2.384 416 E HA 0.114 4.465 4.350 0.001 0.000 0.266 416 E C -2.017 174.549 176.600 -0.058 0.000 1.012 416 E CA -1.469 54.891 56.400 -0.068 0.000 0.901 416 E CB 0.873 30.489 29.700 -0.140 0.000 0.967 416 E HN 0.370 nan 8.360 nan 0.000 0.435 417 P HA 0.020 nan 4.420 nan 0.000 0.275 417 P C 0.054 177.336 177.300 -0.031 0.000 1.228 417 P CA -0.111 62.971 63.100 -0.030 0.000 0.786 417 P CB 1.272 32.925 31.700 -0.079 0.000 0.927 418 T N -0.299 114.269 114.554 0.023 0.000 2.894 418 T HA -0.044 4.307 4.350 0.001 0.000 0.258 418 T C 0.565 175.287 174.700 0.038 0.000 1.043 418 T CA 1.264 63.375 62.100 0.018 0.000 1.141 418 T CB -0.381 68.505 68.868 0.030 0.000 0.873 418 T HN 0.472 nan 8.240 nan 0.000 0.449 419 D N 1.319 121.765 120.400 0.077 0.000 2.456 419 D HA 0.155 4.796 4.640 0.001 0.000 0.219 419 D C 0.801 177.189 176.300 0.147 0.000 1.126 419 D CA -0.345 53.714 54.000 0.100 0.000 0.890 419 D CB 0.963 41.827 40.800 0.107 0.000 1.025 419 D HN -0.041 nan 8.370 nan 0.000 0.511 420 L N 4.721 126.012 121.223 0.114 0.000 2.046 420 L HA -0.081 4.259 4.340 0.001 0.000 0.208 420 L C 2.051 179.044 176.870 0.205 0.000 1.077 420 L CA 1.753 56.681 54.840 0.146 0.000 0.747 420 L CB -0.163 41.948 42.059 0.087 0.000 0.896 420 L HN 0.262 nan 8.230 nan 0.000 0.432 421 K N -1.169 119.319 120.400 0.146 0.000 2.002 421 K HA -0.245 4.075 4.320 0.001 0.000 0.209 421 K C 2.193 178.880 176.600 0.146 0.000 1.048 421 K CA 1.739 58.104 56.287 0.130 0.000 0.930 421 K CB -0.211 32.344 32.500 0.091 0.000 0.714 421 K HN 0.220 nan 8.250 nan 0.000 0.438 422 Q N 0.287 120.178 119.800 0.150 0.000 2.119 422 Q HA -0.142 4.198 4.340 0.001 0.000 0.201 422 Q C 1.753 177.861 176.000 0.181 0.000 0.972 422 Q CA 1.455 57.344 55.803 0.143 0.000 0.847 422 Q CB -0.341 28.474 28.738 0.129 0.000 0.903 422 Q HN 0.317 nan 8.270 nan 0.000 0.433 423 F N 0.883 120.903 119.950 0.117 0.000 2.120 423 F HA -0.267 4.261 4.527 0.000 0.000 0.300 423 F C 1.656 177.536 175.800 0.132 0.000 1.095 423 F CA 1.694 59.792 58.000 0.163 0.000 1.249 423 F CB -0.040 39.057 39.000 0.161 0.000 0.995 423 F HN 0.008 nan 8.300 nan 0.000 0.480 424 K N 0.004 120.551 120.400 0.246 0.000 2.063 424 K HA -0.193 4.127 4.320 0.001 0.000 0.208 424 K C 2.016 178.599 176.600 -0.028 0.000 1.048 424 K CA 1.457 57.808 56.287 0.107 0.000 0.928 424 K CB -0.596 31.993 32.500 0.149 0.000 0.713 424 K HN 0.438 nan 8.250 nan 0.000 0.442 425 Q N 0.874 120.690 119.800 0.027 0.000 2.079 425 Q HA -0.119 4.221 4.340 0.001 0.000 0.200 425 Q C 1.705 177.710 176.000 0.010 0.000 0.974 425 Q CA 1.168 57.025 55.803 0.090 0.000 0.840 425 Q CB -0.315 28.513 28.738 0.150 0.000 0.898 425 Q HN 0.310 nan 8.270 nan 0.000 0.430 426 D N 1.009 121.331 120.400 -0.130 0.000 2.149 426 D HA -0.133 4.508 4.640 0.001 0.000 0.198 426 D C 1.753 177.559 176.300 -0.823 0.000 0.990 426 D CA 1.450 55.242 54.000 -0.347 0.000 0.839 426 D CB -0.146 40.510 40.800 -0.241 0.000 0.948 426 D HN 0.256 nan 8.370 nan 0.000 0.460 427 A N 0.964 123.297 122.820 -0.812 0.000 1.902 427 A HA -0.166 4.154 4.320 0.001 0.000 0.217 427 A C 2.044 179.381 177.584 -0.411 0.000 1.181 427 A CA 1.301 52.942 52.037 -0.661 0.000 0.623 427 A CB -0.156 18.615 19.000 -0.381 0.000 0.818 427 A HN -0.007 nan 8.150 nan 0.000 0.443 428 K N -1.458 118.711 120.400 -0.386 0.000 2.228 428 K HA -0.003 4.318 4.320 0.001 0.000 0.202 428 K C 0.936 177.136 176.600 -0.666 0.000 1.051 428 K CA 1.121 57.095 56.287 -0.523 0.000 0.960 428 K CB -0.303 31.793 32.500 -0.672 0.000 0.743 428 K HN 0.691 nan 8.250 nan 0.000 0.458 429 Y N -1.027 119.153 120.300 -0.200 0.000 2.445 429 Y HA 0.201 4.751 4.550 0.001 0.000 0.247 429 Y C 2.026 177.799 175.900 -0.212 0.000 1.129 429 Y CA -0.107 57.893 58.100 -0.166 0.000 1.251 429 Y CB 0.941 39.335 38.460 -0.111 0.000 1.176 429 Y HN -0.075 nan 8.280 nan 0.000 0.522 430 S N -1.342 114.240 115.700 -0.196 0.000 4.098 430 S HA 0.009 4.479 4.470 0.001 0.000 0.193 430 S C 1.296 175.760 174.600 -0.228 0.000 1.049 430 S CA 0.531 58.596 58.200 -0.226 0.000 1.034 430 S CB -0.456 62.728 63.200 -0.028 0.000 1.380 430 S HN 0.495 nan 8.310 nan 0.000 0.629 431 H N -0.308 118.743 119.070 -0.032 0.000 2.595 431 H HA 0.522 5.079 4.556 0.001 0.000 0.265 431 H C 1.342 176.774 175.328 0.174 0.000 0.953 431 H CA 0.856 56.971 56.048 0.112 0.000 1.197 431 H CB -0.684 29.209 29.762 0.219 0.000 1.438 431 H HN 0.597 nan 8.280 nan 0.000 0.531 432 G N 1.035 109.903 108.800 0.113 0.000 2.233 432 G HA2 -0.327 3.633 3.960 0.001 0.000 0.270 432 G HA3 -0.327 3.633 3.960 0.001 0.000 0.270 432 G C -0.019 175.006 174.900 0.209 0.000 1.011 432 G CA 0.533 45.698 45.100 0.108 0.000 0.762 432 G HN 0.510 nan 8.290 nan 0.000 0.511 433 I N 0.801 121.598 120.570 0.378 0.000 2.416 433 I HA 0.169 4.339 4.170 0.001 0.000 0.288 433 I C 0.450 176.747 176.117 0.300 0.000 1.051 433 I CA -0.611 60.828 61.300 0.231 0.000 1.375 433 I CB 0.889 38.962 38.000 0.122 0.000 1.407 433 I HN 0.004 nan 8.210 nan 0.000 0.516 434 D N 5.950 126.465 120.400 0.192 0.000 2.358 434 D HA -0.008 4.632 4.640 0.001 0.000 0.258 434 D C 0.935 177.347 176.300 0.186 0.000 1.223 434 D CA 0.170 54.274 54.000 0.174 0.000 0.886 434 D CB 1.590 42.420 40.800 0.050 0.000 1.120 434 D HN 0.355 nan 8.370 nan 0.000 0.482 435 V N 4.162 124.208 119.914 0.219 0.000 2.380 435 V HA -0.290 3.831 4.120 0.001 0.000 0.251 435 V C 2.367 178.421 176.094 -0.066 0.000 1.063 435 V CA 3.074 65.339 62.300 -0.058 0.000 1.055 435 V CB -0.613 31.056 31.823 -0.256 0.000 0.657 435 V HN 0.873 nan 8.190 nan 0.000 0.455 436 T N -3.028 111.375 114.554 -0.252 0.000 2.881 436 T HA -0.206 4.145 4.350 0.001 0.000 0.270 436 T C 1.549 176.078 174.700 -0.285 0.000 1.068 436 T CA 1.568 63.290 62.100 -0.630 0.000 1.131 436 T CB -0.593 67.947 68.868 -0.547 0.000 0.871 436 T HN 0.523 nan 8.240 nan 0.000 0.479 437 D N 1.192 121.532 120.400 -0.100 0.000 2.264 437 D HA 0.073 4.713 4.640 0.001 0.000 0.208 437 D C 1.883 178.192 176.300 0.016 0.000 0.966 437 D CA 0.532 54.513 54.000 -0.032 0.000 0.864 437 D CB -0.160 40.616 40.800 -0.040 0.000 0.933 437 D HN 0.443 nan 8.370 nan 0.000 0.499 438 L N -0.454 120.804 121.223 0.059 0.000 2.492 438 L HA -0.006 4.335 4.340 0.001 0.000 0.223 438 L C 1.790 178.773 176.870 0.189 0.000 1.132 438 L CA 0.008 54.884 54.840 0.060 0.000 0.850 438 L CB -0.191 41.889 42.059 0.034 0.000 0.966 438 L HN -0.098 nan 8.230 nan 0.000 0.454 439 F N 0.873 120.788 119.950 -0.059 0.000 2.269 439 F HA -0.161 4.367 4.527 0.001 0.000 0.301 439 F C 2.381 178.175 175.800 -0.010 0.000 1.082 439 F CA 0.890 58.867 58.000 -0.038 0.000 1.360 439 F CB -0.661 38.322 39.000 -0.029 0.000 1.041 439 F HN 0.034 nan 8.300 nan 0.000 0.512 440 A N -0.711 122.237 122.820 0.212 0.000 2.275 440 A HA 0.161 4.481 4.320 0.001 0.000 0.212 440 A C 1.045 178.733 177.584 0.172 0.000 1.201 440 A CA 0.432 52.584 52.037 0.192 0.000 0.843 440 A CB -1.102 18.032 19.000 0.223 0.000 0.873 440 A HN 0.253 nan 8.150 nan 0.000 0.492 441 T N -2.239 112.316 114.554 0.002 0.000 2.899 441 T HA 0.467 4.818 4.350 0.001 0.000 0.284 441 T C -0.116 174.529 174.700 -0.092 0.000 1.004 441 T CA -0.571 61.396 62.100 -0.221 0.000 1.043 441 T CB 1.087 69.790 68.868 -0.275 0.000 1.013 441 T HN 0.186 nan 8.240 nan 0.000 0.518 442 Q N 2.094 121.829 119.800 -0.109 0.000 2.294 442 Q HA 0.422 4.763 4.340 0.001 0.000 0.257 442 Q C -2.576 173.392 176.000 -0.053 0.000 0.955 442 Q CA -1.934 53.834 55.803 -0.058 0.000 0.936 442 Q CB 0.550 29.254 28.738 -0.057 0.000 1.188 442 Q HN 0.445 nan 8.270 nan 0.000 0.420 443 P HA 0.274 nan 4.420 nan 0.000 0.274 443 P C 0.223 177.489 177.300 -0.058 0.000 1.237 443 P CA 0.490 63.564 63.100 -0.044 0.000 0.793 443 P CB 0.934 32.603 31.700 -0.051 0.000 0.977 444 G N 0.255 109.026 108.800 -0.048 0.000 2.213 444 G HA2 -0.264 3.697 3.960 0.001 0.000 0.236 444 G HA3 -0.264 3.697 3.960 0.001 0.000 0.236 444 G C 0.789 175.618 174.900 -0.118 0.000 0.991 444 G CA 0.214 45.274 45.100 -0.067 0.000 0.629 444 G HN 0.465 nan 8.290 nan 0.000 0.517 445 L N 0.930 122.037 121.223 -0.193 0.000 2.291 445 L HA 0.042 4.383 4.340 0.001 0.000 0.214 445 L C 2.969 179.580 176.870 -0.432 0.000 1.120 445 L CA 1.693 56.259 54.840 -0.457 0.000 0.799 445 L CB -0.608 40.936 42.059 -0.857 0.000 0.925 445 L HN 0.307 nan 8.230 nan 0.000 0.446 446 T N -0.772 113.756 114.554 -0.043 0.000 2.652 446 T HA -0.186 4.165 4.350 0.001 0.000 0.267 446 T C 2.155 176.887 174.700 0.054 0.000 1.039 446 T CA 1.883 64.090 62.100 0.179 0.000 1.153 446 T CB -0.173 68.833 68.868 0.230 0.000 0.863 446 T HN 0.290 nan 8.240 nan 0.000 0.428 447 S N 1.531 117.235 115.700 0.005 0.000 2.356 447 S HA -0.056 4.414 4.470 0.001 0.000 0.223 447 S C 2.608 177.182 174.600 -0.043 0.000 1.032 447 S CA 1.049 59.243 58.200 -0.009 0.000 1.005 447 S CB -0.703 62.488 63.200 -0.014 0.000 0.867 447 S HN 0.591 nan 8.310 nan 0.000 0.449 448 A N 1.083 123.847 122.820 -0.093 0.000 1.902 448 A HA -0.053 4.267 4.320 0.001 0.000 0.217 448 A C 2.365 179.878 177.584 -0.118 0.000 1.181 448 A CA 1.615 53.584 52.037 -0.113 0.000 0.623 448 A CB -0.880 18.030 19.000 -0.150 0.000 0.818 448 A HN 0.348 nan 8.150 nan 0.000 0.443 449 V N 0.051 119.866 119.914 -0.165 0.000 2.379 449 V HA -0.212 3.908 4.120 0.001 0.000 0.245 449 V C 2.405 178.490 176.094 -0.015 0.000 1.044 449 V CA 1.847 64.076 62.300 -0.119 0.000 1.036 449 V CB -0.626 31.085 31.823 -0.188 0.000 0.664 449 V HN 0.563 nan 8.190 nan 0.000 0.453 450 I N 0.203 120.786 120.570 0.021 0.000 2.226 450 I HA -0.224 3.946 4.170 0.001 0.000 0.245 450 I C 2.236 178.360 176.117 0.011 0.000 1.100 450 I CA 1.460 62.783 61.300 0.039 0.000 1.374 450 I CB -0.517 37.518 38.000 0.059 0.000 1.057 450 I HN 0.301 nan 8.210 nan 0.000 0.413 451 D N 1.179 121.576 120.400 -0.006 0.000 2.149 451 D HA -0.160 4.481 4.640 0.001 0.000 0.198 451 D C 2.066 178.356 176.300 -0.016 0.000 0.990 451 D CA 1.620 55.613 54.000 -0.012 0.000 0.839 451 D CB -0.064 40.723 40.800 -0.022 0.000 0.948 451 D HN 0.392 nan 8.370 nan 0.000 0.460 452 A N -0.062 122.744 122.820 -0.024 0.000 2.238 452 A HA 0.151 4.472 4.320 0.001 0.000 0.210 452 A C 1.059 178.632 177.584 -0.017 0.000 1.179 452 A CA -0.216 51.805 52.037 -0.027 0.000 0.827 452 A CB -0.167 18.806 19.000 -0.045 0.000 0.856 452 A HN 0.130 nan 8.150 nan 0.000 0.488 453 L N 1.378 122.597 121.223 -0.007 0.000 2.525 453 L HA 0.117 4.458 4.340 0.001 0.000 0.278 453 L C -2.101 174.762 176.870 -0.011 0.000 1.218 453 L CA -1.414 53.423 54.840 -0.004 0.000 0.878 453 L CB 0.222 42.285 42.059 0.007 0.000 1.127 453 L HN 0.117 nan 8.230 nan 0.000 0.492 454 P HA 0.106 nan 4.420 nan 0.000 0.272 454 P C -0.656 176.634 177.300 -0.017 0.000 1.230 454 P CA -0.583 62.506 63.100 -0.019 0.000 0.788 454 P CB 0.473 32.155 31.700 -0.030 0.000 0.949 455 R N 2.656 123.149 120.500 -0.011 0.000 2.570 455 R HA 0.088 4.428 4.340 0.001 0.000 0.277 455 R C 0.605 176.896 176.300 -0.014 0.000 1.039 455 R CA 0.565 56.659 56.100 -0.010 0.000 1.065 455 R CB -0.982 29.315 30.300 -0.005 0.000 0.964 455 R HN 0.461 nan 8.270 nan 0.000 0.428 456 N N 1.913 120.604 118.700 -0.015 0.000 2.714 456 N HA -0.257 4.483 4.740 0.001 0.000 0.250 456 N C -0.504 174.989 175.510 -0.028 0.000 1.117 456 N CA 1.011 54.050 53.050 -0.019 0.000 0.719 456 N CB -0.986 37.492 38.487 -0.015 0.000 1.081 456 N HN 0.612 nan 8.380 nan 0.000 0.557 457 M N 0.291 119.872 119.600 -0.032 0.000 2.240 457 M HA 0.039 4.520 4.480 0.001 0.000 0.317 457 M C 0.610 176.879 176.300 -0.051 0.000 1.087 457 M CA 0.586 55.859 55.300 -0.045 0.000 1.176 457 M CB 0.598 33.172 32.600 -0.043 0.000 1.439 457 M HN -0.170 nan 8.290 nan 0.000 0.452 458 V N 4.190 124.064 119.914 -0.068 0.000 2.384 458 V HA 0.402 4.523 4.120 0.001 0.000 0.287 458 V C -0.185 175.843 176.094 -0.109 0.000 1.020 458 V CA -0.682 61.568 62.300 -0.083 0.000 0.850 458 V CB 1.416 33.185 31.823 -0.089 0.000 0.987 458 V HN 0.542 nan 8.190 nan 0.000 0.436 459 I N 3.718 124.223 120.570 -0.109 0.000 2.404 459 I HA 0.419 4.589 4.170 0.001 0.000 0.293 459 I C 0.467 176.460 176.117 -0.207 0.000 0.992 459 I CA -0.007 61.215 61.300 -0.129 0.000 1.149 459 I CB 2.103 40.067 38.000 -0.061 0.000 1.315 459 I HN 0.528 nan 8.210 nan 0.000 0.446 460 T N 5.843 120.177 114.554 -0.368 0.000 2.875 460 T HA 0.609 4.959 4.350 0.001 0.000 0.284 460 T C -0.046 174.385 174.700 -0.447 0.000 0.995 460 T CA -0.343 61.399 62.100 -0.598 0.000 1.060 460 T CB 1.130 69.281 68.868 -1.196 0.000 0.967 460 T HN 0.835 nan 8.240 nan 0.000 0.476 461 C N 1.998 121.141 119.300 -0.262 0.000 3.332 461 C HA 0.848 5.309 4.460 0.001 0.000 0.329 461 C C -1.316 173.749 174.990 0.126 0.000 1.434 461 C CA -1.154 57.915 59.018 0.085 0.000 1.314 461 C CB 1.178 28.973 27.740 0.092 0.000 1.664 461 C HN 0.746 nan 8.230 nan 0.000 0.457 462 Q N 0.614 120.523 119.800 0.181 0.000 2.891 462 Q HA 0.625 4.965 4.340 0.001 0.000 0.242 462 Q C -0.346 175.661 176.000 0.013 0.000 0.959 462 Q CA 0.462 56.257 55.803 -0.014 0.000 0.707 462 Q CB 0.732 29.233 28.738 -0.394 0.000 1.283 462 Q HN 1.379 nan 8.270 nan 0.000 0.480 463 G N -0.091 108.719 108.800 0.018 0.000 3.175 463 G HA2 0.353 4.314 3.960 0.001 0.000 0.255 463 G HA3 0.353 4.314 3.960 0.001 0.000 0.255 463 G C 0.039 174.951 174.900 0.021 0.000 1.352 463 G CA -0.393 44.710 45.100 0.005 0.000 1.037 463 G HN 0.378 nan 8.290 nan 0.000 0.556 464 S N -0.694 115.009 115.700 0.004 0.000 2.387 464 S HA -0.074 4.397 4.470 0.001 0.000 0.226 464 S C 1.958 176.566 174.600 0.012 0.000 1.026 464 S CA 1.538 59.739 58.200 0.002 0.000 0.972 464 S CB -0.284 62.908 63.200 -0.012 0.000 0.814 464 S HN 0.536 nan 8.310 nan 0.000 0.477 465 D N 1.737 122.145 120.400 0.014 0.000 2.106 465 D HA -0.152 4.488 4.640 0.001 0.000 0.191 465 D C 1.760 178.075 176.300 0.027 0.000 0.997 465 D CA 1.615 55.625 54.000 0.017 0.000 0.834 465 D CB -0.563 40.246 40.800 0.016 0.000 0.956 465 D HN 0.606 nan 8.370 nan 0.000 0.448 466 D N 0.675 121.097 120.400 0.037 0.000 2.123 466 D HA -0.141 4.499 4.640 0.001 0.000 0.200 466 D C 2.094 178.422 176.300 0.046 0.000 0.976 466 D CA 0.431 54.459 54.000 0.046 0.000 0.831 466 D CB -0.558 40.278 40.800 0.060 0.000 0.974 466 D HN 0.157 nan 8.370 nan 0.000 0.469 467 I N 1.110 121.708 120.570 0.046 0.000 2.226 467 I HA -0.173 3.998 4.170 0.001 0.000 0.245 467 I C 2.705 178.840 176.117 0.031 0.000 1.100 467 I CA 0.828 62.154 61.300 0.043 0.000 1.374 467 I CB -1.085 36.941 38.000 0.044 0.000 1.057 467 I HN 0.135 nan 8.210 nan 0.000 0.413 468 R N 1.633 122.146 120.500 0.022 0.000 2.080 468 R HA -0.201 4.139 4.340 0.001 0.000 0.236 468 R C 2.291 178.603 176.300 0.020 0.000 1.137 468 R CA 1.741 57.850 56.100 0.015 0.000 0.943 468 R CB -0.110 30.195 30.300 0.009 0.000 0.846 468 R HN 0.250 nan 8.270 nan 0.000 0.431 469 K N 0.302 120.717 120.400 0.024 0.000 2.063 469 K HA -0.188 4.132 4.320 0.001 0.000 0.208 469 K C 2.113 178.732 176.600 0.031 0.000 1.048 469 K CA 1.611 57.914 56.287 0.027 0.000 0.928 469 K CB -0.329 32.189 32.500 0.030 0.000 0.713 469 K HN 0.143 nan 8.250 nan 0.000 0.442 470 L N 1.339 122.585 121.223 0.037 0.000 2.017 470 L HA -0.133 4.208 4.340 0.001 0.000 0.208 470 L C 1.856 178.750 176.870 0.040 0.000 1.073 470 L CA 1.531 56.397 54.840 0.043 0.000 0.745 470 L CB -0.318 41.772 42.059 0.050 0.000 0.894 470 L HN 0.138 nan 8.230 nan 0.000 0.432 471 L N -0.754 120.489 121.223 0.034 0.000 2.017 471 L HA -0.205 4.136 4.340 0.001 0.000 0.208 471 L C 2.555 179.439 176.870 0.023 0.000 1.073 471 L CA 1.544 56.402 54.840 0.029 0.000 0.745 471 L CB -0.652 41.421 42.059 0.022 0.000 0.894 471 L HN 0.345 nan 8.230 nan 0.000 0.432 472 E N -0.502 119.710 120.200 0.020 0.000 2.085 472 E HA -0.233 4.118 4.350 0.001 0.000 0.194 472 E C 2.351 178.962 176.600 0.018 0.000 0.994 472 E CA 1.387 57.796 56.400 0.016 0.000 0.801 472 E CB -0.093 29.615 29.700 0.014 0.000 0.743 472 E HN 0.257 nan 8.360 nan 0.000 0.453 473 S N 0.265 115.979 115.700 0.023 0.000 2.402 473 S HA -0.163 4.307 4.470 0.001 0.000 0.233 473 S C 1.571 176.184 174.600 0.023 0.000 1.030 473 S CA 1.133 59.348 58.200 0.024 0.000 1.003 473 S CB 0.033 63.251 63.200 0.031 0.000 0.813 473 S HN 0.185 nan 8.310 nan 0.000 0.477 474 Q N -0.465 119.350 119.800 0.024 0.000 2.246 474 Q HA 0.288 4.628 4.340 0.001 0.000 0.202 474 Q C 1.176 177.185 176.000 0.015 0.000 0.883 474 Q CA 0.584 56.400 55.803 0.021 0.000 0.952 474 Q CB 0.244 28.999 28.738 0.028 0.000 1.078 474 Q HN 0.612 nan 8.270 nan 0.000 0.493 475 G N 1.997 110.805 108.800 0.013 0.000 2.147 475 G HA2 -0.243 3.717 3.960 0.001 0.000 0.244 475 G HA3 -0.243 3.717 3.960 0.001 0.000 0.244 475 G C 0.187 175.091 174.900 0.007 0.000 1.005 475 G CA -0.155 44.950 45.100 0.009 0.000 0.713 475 G HN 0.120 nan 8.290 nan 0.000 0.515 476 R N 0.283 120.788 120.500 0.009 0.000 4.017 476 R HA 0.261 4.601 4.340 0.001 0.000 0.272 476 R C 1.394 177.696 176.300 0.003 0.000 1.516 476 R CA -0.296 55.808 56.100 0.006 0.000 1.519 476 R CB 0.046 30.352 30.300 0.010 0.000 1.422 476 R HN 0.498 nan 8.270 nan 0.000 0.719 477 K N 0.481 120.882 120.400 0.002 0.000 2.504 477 K HA -0.082 4.239 4.320 0.001 0.000 0.195 477 K C 0.983 177.581 176.600 -0.005 0.000 1.036 477 K CA 0.983 57.270 56.287 -0.001 0.000 0.984 477 K CB 0.331 32.831 32.500 -0.000 0.000 0.788 477 K HN 0.351 nan 8.250 nan 0.000 0.488 478 D N 0.951 121.348 120.400 -0.005 0.000 2.317 478 D HA -0.091 4.550 4.640 0.001 0.000 0.211 478 D C 0.710 177.002 176.300 -0.013 0.000 0.966 478 D CA 0.283 54.278 54.000 -0.009 0.000 0.876 478 D CB -0.015 40.781 40.800 -0.008 0.000 0.927 478 D HN 0.145 nan 8.370 nan 0.000 0.519 479 I N 1.370 121.933 120.570 -0.012 0.000 2.452 479 I HA 0.040 4.211 4.170 0.001 0.000 0.287 479 I C 0.675 176.778 176.117 -0.024 0.000 1.079 479 I CA -0.348 60.941 61.300 -0.019 0.000 1.387 479 I CB 0.753 38.745 38.000 -0.013 0.000 1.404 479 I HN -0.184 nan 8.210 nan 0.000 0.522 480 K N 7.163 127.543 120.400 -0.033 0.000 2.174 480 K HA 0.592 4.912 4.320 0.001 0.000 0.275 480 K C -1.171 175.397 176.600 -0.052 0.000 1.015 480 K CA -0.473 55.791 56.287 -0.039 0.000 0.933 480 K CB 0.907 33.382 32.500 -0.042 0.000 1.025 480 K HN 0.529 nan 8.250 nan 0.000 0.463 481 L N 5.355 126.546 121.223 -0.052 0.000 2.346 481 L HA 0.490 4.831 4.340 0.001 0.000 0.276 481 L C -0.535 176.286 176.870 -0.083 0.000 1.006 481 L CA -0.978 53.822 54.840 -0.067 0.000 0.817 481 L CB 1.718 43.749 42.059 -0.046 0.000 1.272 481 L HN 0.596 nan 8.230 nan 0.000 0.421 482 I N 2.205 122.701 120.570 -0.123 0.000 2.330 482 I HA 0.198 4.368 4.170 0.001 0.000 0.289 482 I C -0.351 175.683 176.117 -0.138 0.000 1.001 482 I CA -0.307 60.912 61.300 -0.135 0.000 1.193 482 I CB 1.530 39.421 38.000 -0.182 0.000 1.345 482 I HN 0.498 nan 8.210 nan 0.000 0.461 483 D N 6.648 126.995 120.400 -0.090 0.000 2.313 483 D HA 0.191 4.831 4.640 0.001 0.000 0.239 483 D C 0.818 177.079 176.300 -0.065 0.000 1.142 483 D CA -0.334 53.625 54.000 -0.069 0.000 0.847 483 D CB 1.345 42.120 40.800 -0.042 0.000 1.082 483 D HN 0.474 nan 8.370 nan 0.000 0.480 484 I N 2.221 122.756 120.570 -0.059 0.000 2.876 484 I HA 0.210 4.380 4.170 0.001 0.000 0.264 484 I C 1.294 177.405 176.117 -0.011 0.000 1.204 484 I CA 0.209 61.498 61.300 -0.018 0.000 1.485 484 I CB -0.614 37.425 38.000 0.066 0.000 1.103 484 I HN 0.384 nan 8.210 nan 0.000 0.446 485 A N 1.144 123.944 122.820 -0.033 0.000 2.667 485 A HA -0.166 4.155 4.320 0.001 0.000 0.298 485 A C 0.197 177.754 177.584 -0.045 0.000 1.483 485 A CA 0.597 52.608 52.037 -0.043 0.000 0.738 485 A CB -2.655 16.327 19.000 -0.030 0.000 1.067 485 A HN 0.530 nan 8.150 nan 0.000 0.451 486 L N 0.875 122.053 121.223 -0.074 0.000 2.417 486 L HA 0.453 4.794 4.340 0.001 0.000 0.268 486 L C 1.435 178.260 176.870 -0.076 0.000 1.158 486 L CA 0.201 54.999 54.840 -0.069 0.000 0.819 486 L CB 1.196 43.199 42.059 -0.094 0.000 1.112 486 L HN 0.802 nan 8.230 nan 0.000 0.458 487 S N 1.471 117.145 115.700 -0.043 0.000 2.584 487 S HA 0.106 4.576 4.470 0.001 0.000 0.270 487 S C 1.042 175.617 174.600 -0.041 0.000 1.346 487 S CA -0.632 57.547 58.200 -0.034 0.000 1.018 487 S CB 0.958 64.148 63.200 -0.016 0.000 0.899 487 S HN 0.521 nan 8.310 nan 0.000 0.542 488 K N 1.581 121.964 120.400 -0.028 0.000 2.074 488 K HA -0.095 4.225 4.320 0.001 0.000 0.209 488 K C 2.274 178.877 176.600 0.004 0.000 1.048 488 K CA 1.985 58.264 56.287 -0.014 0.000 0.926 488 K CB -1.461 31.042 32.500 0.006 0.000 0.713 488 K HN 0.812 nan 8.250 nan 0.000 0.444 489 T N 1.798 116.354 114.554 0.004 0.000 2.708 489 T HA -0.115 4.236 4.350 0.001 0.000 0.266 489 T C 1.316 176.020 174.700 0.007 0.000 1.037 489 T CA 1.587 63.691 62.100 0.007 0.000 1.146 489 T CB -0.222 68.646 68.868 0.000 0.000 0.865 489 T HN 0.187 nan 8.240 nan 0.000 0.435 490 D N 1.285 121.688 120.400 0.004 0.000 2.144 490 D HA -0.067 4.574 4.640 0.001 0.000 0.200 490 D C 2.471 178.797 176.300 0.044 0.000 0.978 490 D CA 1.354 55.364 54.000 0.017 0.000 0.833 490 D CB -0.516 40.294 40.800 0.017 0.000 0.961 490 D HN 0.497 nan 8.370 nan 0.000 0.470 491 S N 0.251 115.963 115.700 0.020 0.000 2.419 491 S HA -0.104 4.367 4.470 0.001 0.000 0.233 491 S C 1.606 176.332 174.600 0.211 0.000 1.016 491 S CA 0.636 58.864 58.200 0.045 0.000 0.974 491 S CB -0.079 63.030 63.200 -0.152 0.000 0.786 491 S HN 0.183 nan 8.310 nan 0.000 0.492 492 R N 0.293 120.871 120.500 0.131 0.000 2.546 492 R HA 0.325 4.666 4.340 0.001 0.000 0.320 492 R C 1.708 178.041 176.300 0.056 0.000 1.021 492 R CA -0.178 55.997 56.100 0.125 0.000 1.088 492 R CB 0.039 30.406 30.300 0.113 0.000 1.278 492 R HN 0.427 nan 8.270 nan 0.000 0.557 493 K N 0.617 121.022 120.400 0.008 0.000 2.059 493 K HA -0.183 4.137 4.320 0.001 0.000 0.212 493 K C 0.424 176.840 176.600 -0.307 0.000 1.050 493 K CA 1.741 57.918 56.287 -0.184 0.000 0.927 493 K CB 0.033 32.360 32.500 -0.287 0.000 0.714 493 K HN 0.188 nan 8.250 nan 0.000 0.447 494 Y N 0.535 120.848 120.300 0.022 0.000 2.571 494 Y HA 0.117 4.667 4.550 -0.000 0.000 0.275 494 Y C 1.705 177.608 175.900 0.005 0.000 1.179 494 Y CA -0.137 57.965 58.100 0.005 0.000 1.242 494 Y CB 0.239 38.688 38.460 -0.018 0.000 1.126 494 Y HN 0.250 nan 8.280 nan 0.000 0.524 495 E N 0.798 121.073 120.200 0.125 0.000 2.049 495 E HA -0.256 4.094 4.350 0.001 0.000 0.198 495 E C 1.562 178.311 176.600 0.249 0.000 1.007 495 E CA 1.689 58.186 56.400 0.162 0.000 0.809 495 E CB 0.080 29.888 29.700 0.181 0.000 0.749 495 E HN 0.386 nan 8.360 nan 0.000 0.450 496 N N 0.223 119.028 118.700 0.174 0.000 2.142 496 N HA -0.129 4.611 4.740 0.001 0.000 0.186 496 N C 1.660 177.255 175.510 0.142 0.000 1.023 496 N CA 1.308 54.455 53.050 0.162 0.000 0.852 496 N CB -0.476 38.055 38.487 0.074 0.000 0.998 496 N HN 0.275 nan 8.380 nan 0.000 0.424 497 A N 0.671 123.560 122.820 0.116 0.000 1.908 497 A HA -0.096 4.224 4.320 0.001 0.000 0.218 497 A C 2.537 180.148 177.584 0.045 0.000 1.181 497 A CA 1.360 53.454 52.037 0.095 0.000 0.627 497 A CB -0.771 18.338 19.000 0.182 0.000 0.818 497 A HN 0.113 nan 8.150 nan 0.000 0.445 498 V N -2.245 117.696 119.914 0.045 0.000 2.307 498 V HA -0.273 3.848 4.120 0.001 0.000 0.245 498 V C 2.263 178.312 176.094 -0.074 0.000 1.045 498 V CA 1.844 64.118 62.300 -0.043 0.000 1.024 498 V CB -0.996 30.718 31.823 -0.183 0.000 0.651 498 V HN 0.804 nan 8.190 nan 0.000 0.449 499 W N 0.261 121.541 121.300 -0.034 0.000 2.363 499 W HA -0.138 4.521 4.660 -0.002 0.000 0.296 499 W C 2.317 178.797 176.519 -0.064 0.000 1.212 499 W CA 1.223 58.540 57.345 -0.048 0.000 1.260 499 W CB -0.401 29.029 29.460 -0.050 0.000 1.131 499 W HN 0.268 nan 8.180 nan 0.000 0.530 500 D N -0.570 119.914 120.400 0.141 0.000 2.123 500 D HA -0.236 4.405 4.640 0.001 0.000 0.196 500 D C 1.923 178.182 176.300 -0.069 0.000 0.992 500 D CA 1.534 55.556 54.000 0.037 0.000 0.833 500 D CB -0.544 40.263 40.800 0.012 0.000 0.954 500 D HN 0.309 nan 8.370 nan 0.000 0.455 501 Q N -1.261 118.420 119.800 -0.199 0.000 2.123 501 Q HA -0.078 4.262 4.340 0.001 0.000 0.196 501 Q C 0.666 176.336 176.000 -0.550 0.000 0.958 501 Q CA 0.808 56.319 55.803 -0.487 0.000 0.841 501 Q CB 0.231 28.463 28.738 -0.844 0.000 0.915 501 Q HN 0.302 nan 8.270 nan 0.000 0.455 502 Y N -0.684 119.547 120.300 -0.115 0.000 2.612 502 Y HA 0.210 4.761 4.550 0.002 0.000 0.250 502 Y C 1.275 177.086 175.900 -0.149 0.000 1.175 502 Y CA -0.318 57.676 58.100 -0.177 0.000 1.205 502 Y CB 0.500 38.760 38.460 -0.333 0.000 1.201 502 Y HN 0.010 nan 8.280 nan 0.000 0.532 503 K N 1.449 121.897 120.400 0.080 0.000 2.089 503 K HA -0.264 4.057 4.320 0.001 0.000 0.210 503 K C 1.507 178.105 176.600 -0.003 0.000 1.048 503 K CA 2.285 58.669 56.287 0.161 0.000 0.926 503 K CB -0.392 32.224 32.500 0.192 0.000 0.714 503 K HN 0.251 nan 8.250 nan 0.000 0.448 504 D N -0.425 119.980 120.400 0.007 0.000 2.311 504 D HA -0.102 4.538 4.640 0.001 0.000 0.212 504 D C 1.393 177.722 176.300 0.049 0.000 0.972 504 D CA 0.755 54.767 54.000 0.019 0.000 0.887 504 D CB 0.032 40.920 40.800 0.147 0.000 0.915 504 D HN 0.342 nan 8.370 nan 0.000 0.497 505 L N -1.030 120.207 121.223 0.025 0.000 2.552 505 L HA 0.095 4.435 4.340 0.001 0.000 0.227 505 L C 0.440 177.388 176.870 0.130 0.000 1.146 505 L CA -0.076 54.800 54.840 0.059 0.000 0.858 505 L CB 0.059 42.037 42.059 -0.136 0.000 0.969 505 L HN 0.177 nan 8.230 nan 0.000 0.451 506 C N -0.409 118.922 119.300 0.051 0.000 2.832 506 C HA 0.318 4.778 4.460 0.001 0.000 0.383 506 C C 0.575 175.634 174.990 0.114 0.000 1.046 506 C CA -0.577 58.604 59.018 0.272 0.000 1.242 506 C CB 0.727 28.685 27.740 0.364 0.000 1.693 506 C HN 0.343 nan 8.230 nan 0.000 0.497 507 H N 4.362 123.615 119.070 0.305 0.000 2.486 507 H HA 0.092 4.647 4.556 -0.001 0.000 0.284 507 H C 1.071 176.470 175.328 0.119 0.000 1.103 507 H CA -0.100 56.065 56.048 0.196 0.000 1.089 507 H CB 0.603 30.427 29.762 0.104 0.000 1.603 507 H HN 0.601 nan 8.280 nan 0.000 0.557 508 M N 0.565 120.274 119.600 0.180 0.000 2.541 508 M HA 0.005 4.486 4.480 0.001 0.000 0.252 508 M C 0.212 176.379 176.300 -0.221 0.000 1.125 508 M CA 0.737 55.965 55.300 -0.121 0.000 1.091 508 M CB 0.121 32.519 32.600 -0.337 0.000 1.420 508 M HN 0.131 nan 8.290 nan 0.000 0.486 509 H N 0.185 119.362 119.070 0.178 0.000 2.724 509 H HA 0.325 4.881 4.556 0.000 0.000 0.278 509 H C 0.872 176.227 175.328 0.045 0.000 1.159 509 H CA 0.523 56.648 56.048 0.129 0.000 1.254 509 H CB 0.124 29.982 29.762 0.160 0.000 1.412 509 H HN 0.302 nan 8.280 nan 0.000 0.488 510 T N -0.635 113.976 114.554 0.096 0.000 2.969 510 T HA 0.152 4.503 4.350 0.001 0.000 0.250 510 T C 1.297 176.005 174.700 0.014 0.000 1.021 510 T CA -0.029 62.096 62.100 0.043 0.000 1.003 510 T CB 0.509 69.394 68.868 0.029 0.000 1.040 510 T HN 0.427 nan 8.240 nan 0.000 0.492 511 G N 2.239 111.052 108.800 0.022 0.000 2.507 511 G HA2 0.503 4.464 3.960 0.001 0.000 0.271 511 G HA3 0.503 4.464 3.960 0.001 0.000 0.271 511 G C -0.050 174.817 174.900 -0.054 0.000 1.189 511 G CA -0.396 44.694 45.100 -0.017 0.000 0.859 511 G HN 0.697 nan 8.290 nan 0.000 0.542 512 V N -0.033 119.834 119.914 -0.077 0.000 2.521 512 V HA 0.491 4.611 4.120 0.001 0.000 0.286 512 V C 0.164 176.173 176.094 -0.142 0.000 1.034 512 V CA -0.756 61.483 62.300 -0.102 0.000 1.045 512 V CB 0.760 32.527 31.823 -0.093 0.000 0.974 512 V HN 0.389 nan 8.190 nan 0.000 0.480 513 V N 5.789 125.610 119.914 -0.153 0.000 2.547 513 V HA 0.704 4.824 4.120 0.001 0.000 0.299 513 V C 0.219 176.214 176.094 -0.165 0.000 1.040 513 V CA -0.193 61.990 62.300 -0.195 0.000 0.913 513 V CB 1.713 33.410 31.823 -0.210 0.000 0.992 513 V HN 1.073 nan 8.190 nan 0.000 0.449 514 V N 1.291 121.098 119.914 -0.178 0.000 2.864 514 V HA 0.713 4.834 4.120 0.001 0.000 0.314 514 V C -0.636 175.484 176.094 0.043 0.000 1.073 514 V CA -0.761 61.489 62.300 -0.083 0.000 0.956 514 V CB 2.104 33.866 31.823 -0.101 0.000 1.023 514 V HN 0.855 nan 8.190 nan 0.000 0.435 515 E N 1.666 121.902 120.200 0.059 0.000 2.171 515 E HA 0.398 4.748 4.350 0.001 0.000 0.271 515 E C -0.677 175.978 176.600 0.092 0.000 0.916 515 E CA -0.771 55.687 56.400 0.096 0.000 0.774 515 E CB 2.405 32.139 29.700 0.056 0.000 1.128 515 E HN 0.731 nan 8.360 nan 0.000 0.403 523 E N 0.840 121.042 120.200 0.004 0.000 2.340 523 E HA 0.329 4.679 4.350 0.001 0.000 0.273 523 E C -1.234 175.352 176.600 -0.023 0.000 0.891 523 E CA -1.073 55.321 56.400 -0.010 0.000 0.757 523 E CB 2.382 32.078 29.700 -0.006 0.000 1.231 523 E HN 0.543 nan 8.360 nan 0.000 0.439 524 E N 1.841 122.018 120.200 -0.038 0.000 2.373 524 E HA 0.313 4.663 4.350 0.001 0.000 0.267 524 E C -0.027 176.539 176.600 -0.056 0.000 1.032 524 E CA -0.104 56.262 56.400 -0.058 0.000 0.889 524 E CB 0.906 30.567 29.700 -0.065 0.000 0.984 524 E HN 0.449 nan 8.360 nan 0.000 0.425 525 I N -1.935 118.591 120.570 -0.074 0.000 3.145 525 I HA 0.443 4.614 4.170 0.001 0.000 0.313 525 I C -0.353 175.694 176.117 -0.116 0.000 1.122 525 I CA -1.084 60.174 61.300 -0.070 0.000 0.987 525 I CB 2.144 40.123 38.000 -0.036 0.000 1.236 525 I HN 0.134 nan 8.210 nan 0.000 0.453 526 T N 3.781 118.271 114.554 -0.107 0.000 2.834 526 T HA 0.286 4.636 4.350 0.001 0.000 0.298 526 T C -2.353 172.251 174.700 -0.161 0.000 0.966 526 T CA -0.475 61.510 62.100 -0.191 0.000 1.141 526 T CB 0.160 68.904 68.868 -0.207 0.000 0.905 526 T HN 0.443 nan 8.240 nan 0.000 0.535 527 P HA 0.066 nan 4.420 nan 0.000 0.267 527 P C -0.389 176.907 177.300 -0.006 0.000 1.200 527 P CA -0.063 62.933 63.100 -0.172 0.000 0.772 527 P CB 0.238 31.875 31.700 -0.106 0.000 0.855 528 H N -0.069 119.016 119.070 0.026 0.000 2.527 528 H HA 0.400 4.956 4.556 0.000 0.000 0.321 528 H C -0.182 175.093 175.328 -0.088 0.000 1.087 528 H CA -0.850 55.223 56.048 0.041 0.000 1.337 528 H CB 0.631 30.443 29.762 0.083 0.000 1.440 528 H HN 0.409 nan 8.280 nan 0.000 0.490 529 C N 3.295 122.589 119.300 -0.011 0.000 2.408 529 C HA 0.578 5.038 4.460 0.001 0.000 0.321 529 C C 1.703 176.619 174.990 -0.123 0.000 1.245 529 C CA -0.224 58.701 59.018 -0.154 0.000 1.523 529 C CB -0.555 27.037 27.740 -0.247 0.000 2.178 529 C HN 1.003 nan 8.230 nan 0.000 0.488 530 A N 4.090 126.896 122.820 -0.024 0.000 1.908 530 A HA -0.111 4.210 4.320 0.001 0.000 0.218 530 A C 1.841 179.256 177.584 -0.282 0.000 1.181 530 A CA 2.065 54.037 52.037 -0.108 0.000 0.627 530 A CB -0.554 18.418 19.000 -0.047 0.000 0.818 530 A HN 1.044 nan 8.150 nan 0.000 0.445 531 L N -0.864 120.109 121.223 -0.418 0.000 1.988 531 L HA -0.108 4.232 4.340 0.001 0.000 0.207 531 L C 2.354 178.790 176.870 -0.724 0.000 1.071 531 L CA 2.099 56.565 54.840 -0.624 0.000 0.744 531 L CB -0.686 40.813 42.059 -0.932 0.000 0.893 531 L HN 0.306 nan 8.230 nan 0.000 0.433 532 M N -0.586 118.547 119.600 -0.777 0.000 2.202 532 M HA -0.197 4.284 4.480 0.001 0.000 0.262 532 M C 1.896 177.719 176.300 -0.795 0.000 1.063 532 M CA 1.277 56.038 55.300 -0.898 0.000 1.097 532 M CB -1.563 30.256 32.600 -1.301 0.000 1.382 532 M HN 0.269 nan 8.290 nan 0.000 0.413 533 D N 0.082 120.037 120.400 -0.741 0.000 2.084 533 D HA -0.114 4.527 4.640 0.001 0.000 0.194 533 D C 2.214 177.731 176.300 -1.304 0.000 0.990 533 D CA 1.197 54.535 54.000 -1.104 0.000 0.826 533 D CB -0.448 39.804 40.800 -0.913 0.000 0.971 533 D HN 0.331 nan 8.370 nan 0.000 0.453 534 C N 0.606 119.447 119.300 -0.764 0.000 2.385 534 C HA -0.174 4.286 4.460 0.001 0.000 0.275 534 C C 2.850 177.387 174.990 -0.755 0.000 1.207 534 C CA 0.372 59.062 59.018 -0.546 0.000 1.760 534 C CB -1.097 26.514 27.740 -0.216 0.000 2.051 534 C HN 0.349 nan 8.230 nan 0.000 0.467 535 I N 1.339 121.396 120.570 -0.856 0.000 2.179 535 I HA -0.277 3.894 4.170 0.001 0.000 0.242 535 I C 2.647 178.438 176.117 -0.543 0.000 1.088 535 I CA 2.191 62.994 61.300 -0.828 0.000 1.357 535 I CB -0.564 36.866 38.000 -0.951 0.000 1.051 535 I HN 0.476 nan 8.210 nan 0.000 0.409 536 M N -0.068 119.209 119.600 -0.538 0.000 2.254 536 M HA -0.126 4.354 4.480 0.001 0.000 0.265 536 M C 1.915 178.122 176.300 -0.156 0.000 1.066 536 M CA 1.861 56.987 55.300 -0.290 0.000 1.123 536 M CB -0.472 31.991 32.600 -0.228 0.000 1.388 536 M HN -0.035 nan 8.290 nan 0.000 0.425 537 F N 1.706 121.385 119.950 -0.452 0.000 2.146 537 F HA -0.063 4.465 4.527 0.002 0.000 0.298 537 F C 2.194 177.561 175.800 -0.721 0.000 1.096 537 F CA 1.441 59.109 58.000 -0.552 0.000 1.275 537 F CB -1.486 37.074 39.000 -0.734 0.000 1.008 537 F HN 0.345 nan 8.300 nan 0.000 0.480 538 D N -0.010 119.891 120.400 -0.832 0.000 2.117 538 D HA -0.120 4.520 4.640 0.001 0.000 0.197 538 D C 2.229 178.432 176.300 -0.162 0.000 0.987 538 D CA 1.287 54.991 54.000 -0.494 0.000 0.829 538 D CB -0.106 40.457 40.800 -0.395 0.000 0.961 538 D HN 0.101 nan 8.370 nan 0.000 0.460 539 A N 0.406 123.087 122.820 -0.231 0.000 1.933 539 A HA 0.043 4.364 4.320 0.001 0.000 0.218 539 A C 2.352 179.753 177.584 -0.305 0.000 1.175 539 A CA 2.014 53.846 52.037 -0.341 0.000 0.628 539 A CB -1.028 17.659 19.000 -0.521 0.000 0.814 539 A HN 0.329 nan 8.150 nan 0.000 0.444 540 A N -0.421 122.393 122.820 -0.010 0.000 1.858 540 A HA -0.035 4.285 4.320 0.001 0.000 0.216 540 A C 2.213 179.879 177.584 0.137 0.000 1.190 540 A CA 1.845 54.005 52.037 0.205 0.000 0.617 540 A CB -1.091 18.045 19.000 0.228 0.000 0.827 540 A HN 0.433 nan 8.150 nan 0.000 0.443 541 V N 0.026 120.015 119.914 0.126 0.000 2.324 541 V HA -0.232 3.888 4.120 0.001 0.000 0.250 541 V C 2.564 178.720 176.094 0.102 0.000 1.060 541 V CA 2.405 64.796 62.300 0.152 0.000 1.042 541 V CB -0.707 31.285 31.823 0.281 0.000 0.650 541 V HN 0.543 nan 8.190 nan 0.000 0.450 542 S N -0.775 114.959 115.700 0.057 0.000 2.527 542 S HA 0.244 4.715 4.470 0.001 0.000 0.222 542 S C 1.586 176.187 174.600 0.002 0.000 0.985 542 S CA 0.724 58.937 58.200 0.023 0.000 0.921 542 S CB 0.369 63.564 63.200 -0.008 0.000 0.772 542 S HN 0.953 nan 8.310 nan 0.000 0.529 543 G N 0.960 109.770 108.800 0.015 0.000 2.176 543 G HA2 0.020 3.980 3.960 0.001 0.000 0.252 543 G HA3 0.020 3.980 3.960 0.001 0.000 0.252 543 G C 0.240 175.150 174.900 0.017 0.000 1.024 543 G CA 0.068 45.213 45.100 0.075 0.000 0.755 543 G HN 1.046 nan 8.290 nan 0.000 0.507 544 G N -1.937 106.706 108.800 -0.262 0.000 2.340 544 G HA2 0.608 4.569 3.960 0.001 0.000 0.298 544 G HA3 0.608 4.569 3.960 0.001 0.000 0.298 544 G C -1.168 173.458 174.900 -0.456 0.000 1.498 544 G CA 0.059 44.947 45.100 -0.354 0.000 0.847 544 G HN 1.337 nan 8.290 nan 0.000 0.594 550 L N -0.478 120.871 121.223 0.210 0.000 2.492 550 L HA -0.033 4.307 4.340 0.001 0.000 0.539 550 L C -0.125 176.917 176.870 0.287 0.000 1.002 550 L CA 0.812 55.814 54.840 0.271 0.000 1.255 550 L CB -0.549 41.597 42.059 0.146 0.000 1.655 550 L HN 0.939 nan 8.230 nan 0.000 0.843 551 R N 2.086 122.715 120.500 0.214 0.000 2.494 551 R HA 0.834 5.174 4.340 0.001 0.000 0.305 551 R C -0.057 176.064 176.300 -0.297 0.000 0.959 551 R CA -0.446 55.684 56.100 0.050 0.000 0.864 551 R CB 1.888 32.205 30.300 0.028 0.000 1.159 551 R HN 0.737 nan 8.270 nan 0.000 0.446 552 A N 2.939 125.506 122.820 -0.420 0.000 2.451 552 A HA 0.142 4.462 4.320 0.001 0.000 0.266 552 A C 1.239 178.612 177.584 -0.352 0.000 1.119 552 A CA -0.395 51.186 52.037 -0.760 0.000 0.786 552 A CB 0.534 19.355 19.000 -0.300 0.000 1.061 552 A HN 0.635 nan 8.150 nan 0.000 0.503 553 V N 3.719 123.430 119.914 -0.337 0.000 2.358 553 V HA -0.124 3.996 4.120 0.001 0.000 0.246 553 V C 1.119 177.162 176.094 -0.084 0.000 1.047 553 V CA 1.308 63.523 62.300 -0.141 0.000 1.035 553 V CB -0.672 31.098 31.823 -0.088 0.000 0.658 553 V HN 0.688 nan 8.190 nan 0.000 0.452 554 L N 1.564 122.745 121.223 -0.071 0.000 2.305 554 L HA 0.332 4.673 4.340 0.001 0.000 0.281 554 L C -2.265 174.611 176.870 0.010 0.000 1.085 554 L CA -1.826 52.999 54.840 -0.024 0.000 0.813 554 L CB 0.554 42.613 42.059 0.001 0.000 1.157 554 L HN 0.107 nan 8.230 nan 0.000 0.436 555 P HA 0.114 nan 4.420 nan 0.000 0.268 555 P C 0.243 177.610 177.300 0.113 0.000 1.204 555 P CA -0.185 62.953 63.100 0.064 0.000 0.768 555 P CB 0.554 32.286 31.700 0.054 0.000 0.842 556 R N 1.982 122.576 120.500 0.157 0.000 2.139 556 R HA -0.187 4.153 4.340 0.001 0.000 0.243 556 R C 1.058 177.511 176.300 0.255 0.000 1.145 556 R CA 2.020 58.261 56.100 0.235 0.000 0.976 556 R CB -0.519 29.904 30.300 0.205 0.000 0.866 556 R HN 0.646 nan 8.270 nan 0.000 0.449 557 D N -0.738 119.772 120.400 0.184 0.000 2.349 557 D HA -0.110 4.530 4.640 0.001 0.000 0.224 557 D C 1.635 178.000 176.300 0.107 0.000 1.029 557 D CA 0.418 54.519 54.000 0.169 0.000 0.879 557 D CB -0.026 40.879 40.800 0.175 0.000 0.906 557 D HN 0.196 nan 8.370 nan 0.000 0.528 558 M N 0.068 119.716 119.600 0.081 0.000 2.429 558 M HA -0.001 4.479 4.480 0.001 0.000 0.265 558 M C 1.312 177.623 176.300 0.018 0.000 1.120 558 M CA 0.710 56.019 55.300 0.015 0.000 1.173 558 M CB 0.308 32.889 32.600 -0.032 0.000 1.343 558 M HN -0.046 nan 8.290 nan 0.000 0.464 559 V N 0.557 120.518 119.914 0.078 0.000 2.427 559 V HA -0.120 4.000 4.120 0.001 0.000 0.248 559 V C 0.634 176.638 176.094 -0.151 0.000 1.051 559 V CA 1.271 63.578 62.300 0.013 0.000 1.048 559 V CB -0.626 31.270 31.823 0.121 0.000 0.666 559 V HN 0.236 nan 8.190 nan 0.000 0.456 560 F N -0.244 119.768 119.950 0.104 0.000 2.507 560 F HA 0.617 5.146 4.527 0.003 0.000 0.327 560 F C 0.711 176.544 175.800 0.055 0.000 1.068 560 F CA -1.070 56.982 58.000 0.086 0.000 0.965 560 F CB 1.166 40.215 39.000 0.082 0.000 1.192 560 F HN 0.002 nan 8.300 nan 0.000 0.476 561 R N 0.000 120.623 120.500 0.205 0.000 2.786 561 R HA 0.000 4.340 4.340 0.001 0.000 0.208 561 R CA 0.000 56.177 56.100 0.128 0.000 0.921 561 R CB 0.000 30.341 30.300 0.068 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535