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 2ex8_1_A DATA FIRST_RESID 22 DATA SEQUENCE NVDEYITQLP AGANLALMVQ KVGASAPAID YHSQQMALPA STQKVITALA DATA SEQUENCE ALIQLGPDFR FTTTLETKGN VENGVLKGDL VARFGADPTL KRQDIRNMVA DATA SEQUENCE TLKKSGVNQI DGNVLIDTSI FASHDKAPGW PWNDMTQcFS APPAAAIVDR DATA SEQUENCE NcFSVSLYSA PKPGDMAFIR VASYYPVTMF SQVRTLPRGS AEAQYcELDV DATA SEQUENCE VPGDLNRFTL TGcLPQRSEP LPLAFAVQDG ASYAGAILKY ELKQAGITWS DATA SEQUENCE GTLLRQTQVN EPGTVVASKQ SAPLHDLLKI MLKKSDNMIA DTVFRMIGHA DATA SEQUENCE RFNVPGTWRA GSDAVRQILR QQAGVDIGNT IIADGSGLSR HNLIAPATMM DATA SEQUENCE QVLQYIAQHD NELNFISMLP LAGYDGSLQY RAGLHQAGVD GKVSAKTGSL DATA SEQUENCE QGVYNLAGFI TTASGQRMAF VQYLSGYAVE PADQRNRRIP LVRFESRLYK DATA SEQUENCE DIYQNN 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 22 N HA 0.000 nan 4.740 nan 0.000 0.220 22 N C 0.000 174.856 175.510 -1.090 0.000 1.280 22 N CA 0.000 52.637 53.050 -0.688 0.000 0.885 22 N CB 0.000 38.036 38.487 -0.752 0.000 1.341 23 V N 0.075 119.641 119.914 -0.581 0.000 2.295 23 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 23 V C 1.821 177.687 176.094 -0.379 0.000 1.049 23 V CA 1.831 63.874 62.300 -0.429 0.000 1.024 23 V CB -0.186 31.402 31.823 -0.392 0.000 0.648 23 V HN 0.482 nan 8.190 nan 0.000 0.447 24 D N -0.547 119.663 120.400 -0.315 0.000 2.149 24 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 24 D C 2.192 178.413 176.300 -0.131 0.000 0.990 24 D CA 1.451 55.353 54.000 -0.163 0.000 0.839 24 D CB -0.001 40.772 40.800 -0.045 0.000 0.948 24 D HN 0.581 nan 8.370 nan 0.000 0.460 25 E N -0.090 119.968 120.200 -0.236 0.000 2.072 25 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 25 E C 2.054 178.646 176.600 -0.013 0.000 0.985 25 E CA 0.658 56.962 56.400 -0.159 0.000 0.801 25 E CB -0.025 29.542 29.700 -0.222 0.000 0.750 25 E HN 0.487 nan 8.360 nan 0.000 0.452 26 Y N 0.181 120.489 120.300 0.014 0.000 2.274 26 Y HA -0.168 4.382 4.550 -0.000 0.000 0.290 26 Y C 2.387 178.439 175.900 0.253 0.000 1.145 26 Y CA 0.165 58.321 58.100 0.093 0.000 1.203 26 Y CB -0.111 38.323 38.460 -0.044 0.000 0.984 26 Y HN 0.062 nan 8.280 nan 0.000 0.533 27 I N 0.427 121.165 120.570 0.281 0.000 2.335 27 I HA -0.312 3.858 4.170 -0.000 0.000 0.251 27 I C 2.531 178.702 176.117 0.092 0.000 1.129 27 I CA 1.914 63.296 61.300 0.136 0.000 1.402 27 I CB -0.487 37.526 38.000 0.022 0.000 1.069 27 I HN 0.362 nan 8.210 nan 0.000 0.424 28 T N -2.182 112.426 114.554 0.090 0.000 3.007 28 T HA -0.153 4.197 4.350 -0.000 0.000 0.270 28 T C 1.724 176.466 174.700 0.070 0.000 1.107 28 T CA 0.670 62.806 62.100 0.060 0.000 1.118 28 T CB -0.153 68.742 68.868 0.045 0.000 0.889 28 T HN 0.274 nan 8.240 nan 0.000 0.506 29 Q N 0.599 120.474 119.800 0.125 0.000 2.224 29 Q HA 0.246 4.585 4.340 -0.000 0.000 0.203 29 Q C 1.020 177.063 176.000 0.072 0.000 0.970 29 Q CA 0.460 56.336 55.803 0.120 0.000 0.865 29 Q CB -0.327 28.529 28.738 0.196 0.000 0.922 29 Q HN 0.583 nan 8.270 nan 0.000 0.445 30 L N 1.446 122.695 121.223 0.043 0.000 2.456 30 L HA 0.217 4.557 4.340 -0.000 0.000 0.257 30 L C -1.928 174.865 176.870 -0.128 0.000 1.162 30 L CA -2.010 52.799 54.840 -0.051 0.000 0.808 30 L CB -0.124 41.876 42.059 -0.099 0.000 1.136 30 L HN -0.058 nan 8.230 nan 0.000 0.466 31 P HA 0.052 nan 4.420 nan 0.000 0.271 31 P C -0.907 176.293 177.300 -0.167 0.000 1.233 31 P CA -0.436 62.499 63.100 -0.274 0.000 0.789 31 P CB 0.393 31.790 31.700 -0.505 0.000 0.951 32 A N 1.497 124.250 122.820 -0.112 0.000 2.548 32 A HA 0.403 4.723 4.320 -0.000 0.000 0.247 32 A C 1.485 179.037 177.584 -0.053 0.000 1.067 32 A CA 0.679 52.679 52.037 -0.061 0.000 0.757 32 A CB -1.568 17.406 19.000 -0.042 0.000 0.996 32 A HN 0.898 nan 8.150 nan 0.000 0.504 33 G N 0.994 109.780 108.800 -0.024 0.000 2.162 33 G HA2 0.116 4.076 3.960 -0.000 0.000 0.260 33 G HA3 0.116 4.076 3.960 -0.000 0.000 0.260 33 G C 0.654 175.557 174.900 0.006 0.000 0.976 33 G CA 0.554 45.653 45.100 -0.002 0.000 0.655 33 G HN 2.257 nan 8.290 nan 0.000 0.533 34 A N -0.441 122.370 122.820 -0.015 0.000 2.520 34 A HA 0.509 4.829 4.320 -0.000 0.000 0.235 34 A C 0.412 178.032 177.584 0.060 0.000 1.065 34 A CA 0.842 52.890 52.037 0.017 0.000 0.764 34 A CB 0.119 19.110 19.000 -0.015 0.000 1.002 34 A HN 0.668 nan 8.150 nan 0.000 0.502 35 N N 0.279 119.032 118.700 0.089 0.000 2.446 35 N HA 0.481 5.221 4.740 -0.000 0.000 0.265 35 N C -1.103 174.506 175.510 0.165 0.000 0.975 35 N CA -0.425 52.702 53.050 0.128 0.000 0.928 35 N CB 1.684 40.229 38.487 0.095 0.000 1.160 35 N HN 0.562 nan 8.380 nan 0.000 0.495 36 L N 2.476 123.848 121.223 0.249 0.000 2.307 36 L HA 0.820 5.159 4.340 -0.000 0.000 0.284 36 L C -0.962 176.176 176.870 0.447 0.000 1.023 36 L CA -0.578 54.432 54.840 0.284 0.000 0.810 36 L CB 1.219 43.384 42.059 0.176 0.000 1.231 36 L HN 0.585 nan 8.230 nan 0.000 0.423 37 A N 5.622 128.668 122.820 0.376 0.000 2.335 37 A HA 0.759 5.079 4.320 -0.000 0.000 0.304 37 A C -1.673 176.085 177.584 0.291 0.000 1.118 37 A CA -0.451 51.808 52.037 0.369 0.000 0.757 37 A CB 1.096 20.282 19.000 0.309 0.000 1.188 37 A HN 0.747 nan 8.150 nan 0.000 0.460 38 L N 2.452 123.843 121.223 0.279 0.000 2.431 38 L HA 0.874 5.214 4.340 -0.000 0.000 0.266 38 L C -0.924 176.037 176.870 0.152 0.000 0.978 38 L CA -0.365 54.598 54.840 0.205 0.000 0.822 38 L CB 1.912 44.106 42.059 0.225 0.000 1.310 38 L HN 0.829 nan 8.230 nan 0.000 0.409 39 M N 4.856 124.519 119.600 0.106 0.000 2.378 39 M HA 0.738 5.218 4.480 -0.000 0.000 0.289 39 M C -2.047 174.319 176.300 0.110 0.000 1.136 39 M CA -0.564 54.788 55.300 0.086 0.000 0.917 39 M CB 2.120 34.747 32.600 0.045 0.000 1.669 39 M HN 0.403 nan 8.290 nan 0.000 0.461 40 V N 3.655 123.629 119.914 0.101 0.000 2.638 40 V HA 0.608 4.728 4.120 -0.000 0.000 0.306 40 V C -1.114 175.036 176.094 0.093 0.000 1.052 40 V CA -0.533 61.842 62.300 0.125 0.000 0.885 40 V CB 1.950 33.828 31.823 0.092 0.000 0.999 40 V HN 0.887 nan 8.190 nan 0.000 0.424 41 Q N 2.898 122.761 119.800 0.105 0.000 2.295 41 Q HA 0.386 4.726 4.340 -0.000 0.000 0.268 41 Q C -0.885 175.174 176.000 0.098 0.000 1.010 41 Q CA -0.788 55.065 55.803 0.083 0.000 0.856 41 Q CB 2.275 31.054 28.738 0.068 0.000 1.349 41 Q HN 0.767 nan 8.270 nan 0.000 0.412 42 K N 2.147 122.595 120.400 0.079 0.000 2.524 42 K HA 0.072 4.392 4.320 -0.000 0.000 0.279 42 K C -0.610 176.043 176.600 0.089 0.000 0.993 42 K CA -0.150 56.185 56.287 0.081 0.000 1.030 42 K CB 0.563 33.093 32.500 0.051 0.000 0.891 42 K HN 0.468 nan 8.250 nan 0.000 0.488 43 V N 4.391 124.369 119.914 0.106 0.000 2.509 43 V HA 0.056 4.176 4.120 -0.000 0.000 0.297 43 V C 1.427 177.552 176.094 0.052 0.000 1.014 43 V CA 1.673 64.032 62.300 0.099 0.000 1.127 43 V CB 0.241 32.118 31.823 0.090 0.000 0.925 43 V HN 1.160 nan 8.190 nan 0.000 0.480 44 G N 3.798 112.626 108.800 0.048 0.000 2.176 44 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.253 44 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.253 44 G C 0.358 175.275 174.900 0.028 0.000 0.979 44 G CA 0.212 45.327 45.100 0.025 0.000 0.641 44 G HN 1.469 nan 8.290 nan 0.000 0.530 45 A N 0.102 122.945 122.820 0.038 0.000 2.286 45 A HA 0.818 5.138 4.320 -0.000 0.000 0.286 45 A C 1.389 178.995 177.584 0.037 0.000 1.097 45 A CA 0.957 53.014 52.037 0.034 0.000 0.821 45 A CB 0.898 19.919 19.000 0.035 0.000 1.076 45 A HN 1.484 nan 8.150 nan 0.000 0.490 46 S N -0.403 115.316 115.700 0.031 0.000 2.523 46 S HA 0.512 4.982 4.470 -0.000 0.000 0.217 46 S C 0.504 175.122 174.600 0.031 0.000 0.996 46 S CA 0.431 58.650 58.200 0.032 0.000 0.921 46 S CB 0.012 63.229 63.200 0.028 0.000 0.829 46 S HN 1.518 nan 8.310 nan 0.000 0.495 47 A N 3.042 125.880 122.820 0.030 0.000 2.355 47 A HA 0.794 5.114 4.320 -0.000 0.000 0.317 47 A C -2.845 174.759 177.584 0.033 0.000 1.094 47 A CA -1.977 50.077 52.037 0.029 0.000 0.764 47 A CB 0.891 19.905 19.000 0.023 0.000 1.230 47 A HN 0.251 nan 8.150 nan 0.000 0.448 48 P HA 0.317 nan 4.420 nan 0.000 0.274 48 P C 0.587 177.908 177.300 0.035 0.000 1.231 48 P CA 0.152 63.276 63.100 0.041 0.000 0.790 48 P CB 1.551 33.277 31.700 0.044 0.000 0.951 49 A N 2.943 125.785 122.820 0.037 0.000 1.903 49 A HA 0.140 4.460 4.320 -0.000 0.000 0.213 49 A C 1.185 178.784 177.584 0.026 0.000 1.185 49 A CA 0.877 52.930 52.037 0.027 0.000 0.628 49 A CB -0.412 18.602 19.000 0.024 0.000 0.830 49 A HN 0.551 nan 8.150 nan 0.000 0.446 50 I N 0.321 120.913 120.570 0.036 0.000 2.436 50 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 50 I C -1.495 174.660 176.117 0.063 0.000 1.010 50 I CA -0.583 60.741 61.300 0.040 0.000 1.098 50 I CB 2.031 40.045 38.000 0.024 0.000 1.266 50 I HN 0.057 nan 8.210 nan 0.000 0.434 51 D N 6.246 126.691 120.400 0.074 0.000 2.402 51 D HA 0.200 4.840 4.640 -0.000 0.000 0.252 51 D C -1.828 174.537 176.300 0.108 0.000 1.294 51 D CA -0.270 53.779 54.000 0.082 0.000 0.948 51 D CB 1.050 41.880 40.800 0.050 0.000 1.202 51 D HN 0.369 nan 8.370 nan 0.000 0.561 52 Y N 4.716 125.007 120.300 -0.016 0.000 2.426 52 Y HA 0.275 4.824 4.550 -0.000 0.000 0.325 52 Y C -0.203 175.682 175.900 -0.025 0.000 0.989 52 Y CA -0.483 57.556 58.100 -0.102 0.000 1.284 52 Y CB 0.223 38.624 38.460 -0.098 0.000 1.104 52 Y HN 0.442 nan 8.280 nan 0.000 0.481 53 H N 1.886 120.839 119.070 -0.194 0.000 2.791 53 H HA -0.206 4.350 4.556 -0.000 0.000 0.302 53 H C 1.537 176.875 175.328 0.016 0.000 1.198 53 H CA 0.903 56.881 56.048 -0.116 0.000 1.145 53 H CB -1.591 28.096 29.762 -0.124 0.000 1.385 53 H HN 0.626 nan 8.280 nan 0.000 0.409 54 S N -1.363 114.414 115.700 0.129 0.000 2.474 54 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 54 S C 1.797 176.450 174.600 0.089 0.000 0.997 54 S CA 1.336 59.599 58.200 0.105 0.000 0.949 54 S CB 0.231 63.476 63.200 0.075 0.000 0.766 54 S HN 0.471 nan 8.310 nan 0.000 0.517 55 Q N 0.493 120.341 119.800 0.079 0.000 2.425 55 Q HA 0.214 4.554 4.340 -0.000 0.000 0.204 55 Q C -0.009 176.028 176.000 0.060 0.000 0.933 55 Q CA 0.238 56.078 55.803 0.060 0.000 0.939 55 Q CB 0.175 28.938 28.738 0.042 0.000 1.044 55 Q HN 0.477 nan 8.270 nan 0.000 0.513 56 Q N 0.514 120.358 119.800 0.073 0.000 2.314 56 Q HA 0.124 4.464 4.340 -0.000 0.000 0.258 56 Q C -0.177 175.874 176.000 0.084 0.000 0.954 56 Q CA 0.148 55.979 55.803 0.047 0.000 0.890 56 Q CB 0.707 29.452 28.738 0.011 0.000 1.210 56 Q HN 0.251 nan 8.270 nan 0.000 0.410 57 M N 1.325 120.959 119.600 0.056 0.000 2.248 57 M HA 0.437 4.917 4.480 -0.000 0.000 0.337 57 M C 0.006 176.344 176.300 0.063 0.000 1.121 57 M CA 0.043 55.382 55.300 0.064 0.000 1.155 57 M CB 0.109 32.727 32.600 0.031 0.000 1.514 57 M HN 0.680 nan 8.290 nan 0.000 0.452 58 A N 2.391 125.241 122.820 0.051 0.000 2.609 58 A HA 0.703 5.023 4.320 -0.000 0.000 0.291 58 A C -1.316 176.173 177.584 -0.159 0.000 1.096 58 A CA -0.791 51.230 52.037 -0.027 0.000 0.684 58 A CB 1.174 20.196 19.000 0.036 0.000 1.282 58 A HN 0.580 nan 8.150 nan 0.000 0.412 59 L N 2.230 123.339 121.223 -0.191 0.000 2.418 59 L HA 0.292 4.632 4.340 -0.000 0.000 0.274 59 L C -1.111 175.486 176.870 -0.455 0.000 1.135 59 L CA -1.266 53.437 54.840 -0.229 0.000 0.870 59 L CB 0.531 42.489 42.059 -0.167 0.000 1.154 59 L HN 0.549 nan 8.230 nan 0.000 0.462 60 P HA 0.013 nan 4.420 nan 0.000 0.230 60 P C 0.700 177.835 177.300 -0.276 0.000 1.168 60 P CA 0.971 63.742 63.100 -0.549 0.000 0.793 60 P CB 0.501 32.069 31.700 -0.220 0.000 0.851 61 A N 0.564 123.268 122.820 -0.194 0.000 5.695 61 A HA -0.269 4.050 4.320 -0.000 0.000 0.297 61 A C 1.786 179.326 177.584 -0.073 0.000 1.947 61 A CA 1.684 53.641 52.037 -0.134 0.000 0.717 61 A CB -2.393 16.511 19.000 -0.160 0.000 1.252 61 A HN 0.189 nan 8.150 nan 0.000 0.378 62 S N 0.312 115.979 115.700 -0.055 0.000 2.547 62 S HA 0.002 4.471 4.470 -0.000 0.000 0.235 62 S C 1.853 176.473 174.600 0.033 0.000 0.980 62 S CA 1.848 60.040 58.200 -0.013 0.000 0.941 62 S CB -0.802 62.385 63.200 -0.021 0.000 0.763 62 S HN 1.597 nan 8.310 nan 0.000 0.532 63 T N -0.598 113.987 114.554 0.052 0.000 3.051 63 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 63 T C 1.596 176.362 174.700 0.111 0.000 1.127 63 T CA 1.017 63.182 62.100 0.108 0.000 1.107 63 T CB -0.299 68.693 68.868 0.206 0.000 0.898 63 T HN 0.237 nan 8.240 nan 0.000 0.517 64 Q N 1.733 121.579 119.800 0.077 0.000 2.234 64 Q HA -0.068 4.272 4.340 -0.000 0.000 0.206 64 Q C 2.092 178.162 176.000 0.116 0.000 0.980 64 Q CA 1.566 57.421 55.803 0.086 0.000 0.869 64 Q CB -0.433 28.332 28.738 0.045 0.000 0.912 64 Q HN 0.628 nan 8.270 nan 0.000 0.436 65 K N -0.960 119.505 120.400 0.108 0.000 2.280 65 K HA -0.088 4.232 4.320 -0.000 0.000 0.202 65 K C 1.839 178.547 176.600 0.179 0.000 1.047 65 K CA 1.096 57.461 56.287 0.129 0.000 0.942 65 K CB 0.023 32.581 32.500 0.096 0.000 0.739 65 K HN 0.096 nan 8.250 nan 0.000 0.457 66 V N 1.664 121.696 119.914 0.197 0.000 2.295 66 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 66 V C 2.137 178.397 176.094 0.277 0.000 1.049 66 V CA 1.597 64.078 62.300 0.303 0.000 1.024 66 V CB -0.320 31.625 31.823 0.205 0.000 0.648 66 V HN 0.267 nan 8.190 nan 0.000 0.447 67 I N -0.071 120.608 120.570 0.181 0.000 2.226 67 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 67 I C 2.554 178.781 176.117 0.184 0.000 1.100 67 I CA 1.867 63.258 61.300 0.152 0.000 1.374 67 I CB -0.586 37.493 38.000 0.132 0.000 1.057 67 I HN 0.329 nan 8.210 nan 0.000 0.413 68 T N 0.756 115.437 114.554 0.211 0.000 2.684 68 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 68 T C 2.047 176.865 174.700 0.196 0.000 1.036 68 T CA 1.552 63.791 62.100 0.233 0.000 1.148 68 T CB -0.383 68.635 68.868 0.250 0.000 0.863 68 T HN 0.487 nan 8.240 nan 0.000 0.436 69 A N 1.168 124.119 122.820 0.218 0.000 1.902 69 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 69 A C 2.260 180.027 177.584 0.305 0.000 1.181 69 A CA 1.379 53.538 52.037 0.203 0.000 0.623 69 A CB -0.815 18.250 19.000 0.108 0.000 0.818 69 A HN 0.403 nan 8.150 nan 0.000 0.443 70 L N -0.239 121.222 121.223 0.396 0.000 2.017 70 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 70 L C 2.669 179.615 176.870 0.126 0.000 1.073 70 L CA 2.313 57.321 54.840 0.279 0.000 0.745 70 L CB -0.850 41.278 42.059 0.114 0.000 0.894 70 L HN 0.327 nan 8.230 nan 0.000 0.432 71 A N -0.505 122.362 122.820 0.078 0.000 1.933 71 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 71 A C 2.444 180.020 177.584 -0.014 0.000 1.175 71 A CA 1.784 53.824 52.037 0.006 0.000 0.628 71 A CB -1.164 17.836 19.000 0.000 0.000 0.814 71 A HN 0.600 nan 8.150 nan 0.000 0.444 72 A N -0.123 122.709 122.820 0.021 0.000 1.877 72 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 72 A C 2.177 179.752 177.584 -0.015 0.000 1.186 72 A CA 1.555 53.578 52.037 -0.024 0.000 0.620 72 A CB -0.641 18.371 19.000 0.020 0.000 0.822 72 A HN 0.474 nan 8.150 nan 0.000 0.443 73 L N -0.647 120.612 121.223 0.060 0.000 2.046 73 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 73 L C 2.511 179.414 176.870 0.055 0.000 1.077 73 L CA 1.250 56.143 54.840 0.089 0.000 0.747 73 L CB -0.517 41.646 42.059 0.174 0.000 0.896 73 L HN 0.393 nan 8.230 nan 0.000 0.432 74 I N -0.676 119.915 120.570 0.034 0.000 2.179 74 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 74 I C 2.665 178.756 176.117 -0.043 0.000 1.088 74 I CA 1.195 62.493 61.300 -0.003 0.000 1.357 74 I CB -0.169 37.810 38.000 -0.034 0.000 1.051 74 I HN 0.282 nan 8.210 nan 0.000 0.409 75 Q N 0.958 120.708 119.800 -0.083 0.000 2.062 75 Q HA -0.038 4.302 4.340 -0.000 0.000 0.196 75 Q C 1.977 177.895 176.000 -0.137 0.000 0.967 75 Q CA 1.687 57.410 55.803 -0.133 0.000 0.832 75 Q CB 0.018 28.641 28.738 -0.191 0.000 0.899 75 Q HN 0.467 nan 8.270 nan 0.000 0.442 76 L N -1.475 119.654 121.223 -0.157 0.000 2.470 76 L HA 0.377 4.717 4.340 -0.000 0.000 0.219 76 L C 0.847 177.707 176.870 -0.018 0.000 1.071 76 L CA 0.128 54.847 54.840 -0.200 0.000 0.850 76 L CB -0.007 41.743 42.059 -0.515 0.000 1.040 76 L HN 0.370 nan 8.230 nan 0.000 0.475 77 G N 0.709 109.516 108.800 0.010 0.000 2.733 77 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 77 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 77 G C -2.186 172.787 174.900 0.121 0.000 1.373 77 G CA -0.337 44.806 45.100 0.072 0.000 0.838 77 G HN 0.024 nan 8.290 nan 0.000 0.588 78 P HA 0.031 nan 4.420 nan 0.000 0.226 78 P C 0.550 177.945 177.300 0.158 0.000 1.153 78 P CA 1.476 64.685 63.100 0.181 0.000 0.777 78 P CB 0.212 32.009 31.700 0.161 0.000 0.794 79 D N -1.231 119.242 120.400 0.122 0.000 2.369 79 D HA 0.055 4.695 4.640 -0.000 0.000 0.211 79 D C 0.533 176.883 176.300 0.084 0.000 1.077 79 D CA -0.410 53.642 54.000 0.086 0.000 0.842 79 D CB -0.380 40.450 40.800 0.049 0.000 0.947 79 D HN 0.157 nan 8.370 nan 0.000 0.509 80 F N 2.526 122.465 119.950 -0.019 0.000 2.629 80 F HA 0.022 4.549 4.527 -0.000 0.000 0.369 80 F C 0.411 176.168 175.800 -0.072 0.000 1.125 80 F CA 0.201 58.159 58.000 -0.070 0.000 1.330 80 F CB 0.455 39.382 39.000 -0.122 0.000 1.071 80 F HN -0.344 nan 8.300 nan 0.000 0.595 81 R N 5.426 125.326 120.500 -1.001 0.000 2.686 81 R HA 0.374 4.714 4.340 -0.000 0.000 0.286 81 R C -1.302 174.372 176.300 -1.045 0.000 0.969 81 R CA -0.994 54.696 56.100 -0.684 0.000 0.898 81 R CB 1.547 31.666 30.300 -0.303 0.000 1.183 81 R HN 0.503 nan 8.270 nan 0.000 0.456 82 F N 0.647 120.359 119.950 -0.396 0.000 2.450 82 F HA 0.213 4.740 4.527 -0.000 0.000 0.339 82 F C 1.350 177.041 175.800 -0.182 0.000 1.146 82 F CA 0.637 58.529 58.000 -0.180 0.000 1.267 82 F CB 1.231 40.259 39.000 0.047 0.000 1.178 82 F HN 0.335 nan 8.300 nan 0.000 0.585 83 T N 0.204 114.785 114.554 0.046 0.000 2.909 83 T HA 0.644 4.994 4.350 -0.000 0.000 0.299 83 T C -0.856 173.825 174.700 -0.033 0.000 1.073 83 T CA -0.571 61.516 62.100 -0.022 0.000 0.999 83 T CB 1.511 70.326 68.868 -0.087 0.000 1.098 83 T HN 0.544 nan 8.240 nan 0.000 0.477 84 T N 3.088 117.590 114.554 -0.087 0.000 2.861 84 T HA 0.758 5.108 4.350 -0.000 0.000 0.287 84 T C -0.403 174.181 174.700 -0.193 0.000 1.003 84 T CA -0.713 61.271 62.100 -0.193 0.000 0.977 84 T CB 1.634 70.354 68.868 -0.246 0.000 0.996 84 T HN 1.037 nan 8.240 nan 0.000 0.448 85 T N 0.470 114.889 114.554 -0.225 0.000 2.906 85 T HA 0.767 5.117 4.350 -0.000 0.000 0.295 85 T C -0.850 173.737 174.700 -0.189 0.000 1.075 85 T CA -1.005 60.995 62.100 -0.168 0.000 1.005 85 T CB 1.003 69.805 68.868 -0.111 0.000 1.136 85 T HN 0.388 nan 8.240 nan 0.000 0.498 86 L N 1.394 122.535 121.223 -0.136 0.000 2.307 86 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 86 L C -0.011 176.813 176.870 -0.077 0.000 1.023 86 L CA -0.697 54.076 54.840 -0.111 0.000 0.810 86 L CB 1.502 43.504 42.059 -0.096 0.000 1.231 86 L HN 0.766 nan 8.230 nan 0.000 0.423 87 E N 1.307 121.469 120.200 -0.064 0.000 2.293 87 E HA 0.456 4.806 4.350 -0.000 0.000 0.270 87 E C -0.943 175.636 176.600 -0.034 0.000 0.879 87 E CA -0.723 55.650 56.400 -0.044 0.000 0.756 87 E CB 2.638 32.315 29.700 -0.039 0.000 1.208 87 E HN 0.580 nan 8.360 nan 0.000 0.428 88 T N -0.385 114.154 114.554 -0.025 0.000 2.855 88 T HA 0.517 4.867 4.350 -0.000 0.000 0.281 88 T C -0.322 174.372 174.700 -0.010 0.000 1.007 88 T CA -1.088 61.002 62.100 -0.017 0.000 1.009 88 T CB 1.230 70.091 68.868 -0.013 0.000 0.983 88 T HN 0.243 nan 8.240 nan 0.000 0.455 89 K N 2.002 122.398 120.400 -0.006 0.000 2.521 89 K HA 0.637 4.957 4.320 -0.000 0.000 0.248 89 K C -0.028 176.574 176.600 0.003 0.000 0.978 89 K CA -0.760 55.526 56.287 -0.001 0.000 0.947 89 K CB 1.388 33.888 32.500 0.001 0.000 1.165 89 K HN 1.172 nan 8.250 nan 0.000 0.445 90 G N 1.985 110.787 108.800 0.004 0.000 2.340 90 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.527 90 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.527 90 G C -1.503 173.401 174.900 0.006 0.000 1.381 90 G CA -1.117 43.986 45.100 0.007 0.000 1.001 90 G HN 0.421 nan 8.290 nan 0.000 0.626 91 N N -0.989 117.716 118.700 0.007 0.000 2.515 91 N HA 0.480 5.220 4.740 -0.000 0.000 0.279 91 N C -0.167 175.348 175.510 0.008 0.000 1.164 91 N CA -0.224 52.830 53.050 0.006 0.000 0.982 91 N CB 2.018 40.509 38.487 0.006 0.000 1.170 91 N HN 0.413 nan 8.380 nan 0.000 0.474 92 V N 1.904 121.822 119.914 0.006 0.000 2.333 92 V HA 0.225 4.345 4.120 -0.000 0.000 0.274 92 V C -0.091 176.007 176.094 0.007 0.000 1.028 92 V CA -0.458 61.846 62.300 0.008 0.000 0.851 92 V CB 0.628 32.454 31.823 0.006 0.000 1.000 92 V HN 0.554 nan 8.190 nan 0.000 0.456 93 E N 3.883 124.088 120.200 0.009 0.000 2.155 93 E HA 0.400 4.750 4.350 -0.000 0.000 0.264 93 E C -0.196 176.409 176.600 0.008 0.000 0.886 93 E CA -0.709 55.696 56.400 0.008 0.000 0.752 93 E CB 0.878 30.583 29.700 0.008 0.000 1.133 93 E HN 0.697 nan 8.360 nan 0.000 0.414 94 N N 2.582 121.286 118.700 0.006 0.000 2.714 94 N HA -0.258 4.482 4.740 -0.000 0.000 0.252 94 N C 0.654 176.169 175.510 0.007 0.000 1.014 94 N CA 1.309 54.362 53.050 0.005 0.000 0.735 94 N CB -0.859 37.631 38.487 0.005 0.000 0.924 94 N HN 0.972 nan 8.380 nan 0.000 0.540 95 G N -3.265 105.540 108.800 0.008 0.000 2.176 95 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 95 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 95 G C 0.001 174.911 174.900 0.017 0.000 0.979 95 G CA 0.202 45.308 45.100 0.011 0.000 0.641 95 G HN 0.547 nan 8.290 nan 0.000 0.530 96 V N 2.082 122.006 119.914 0.018 0.000 2.347 96 V HA 0.520 4.640 4.120 -0.000 0.000 0.280 96 V C 0.900 177.008 176.094 0.024 0.000 1.021 96 V CA -0.813 61.502 62.300 0.025 0.000 0.847 96 V CB 1.803 33.640 31.823 0.023 0.000 0.990 96 V HN 0.348 nan 8.190 nan 0.000 0.444 97 L N 6.238 127.479 121.223 0.030 0.000 2.369 97 L HA 0.306 4.646 4.340 -0.000 0.000 0.279 97 L C 0.187 177.074 176.870 0.029 0.000 1.108 97 L CA -0.358 54.498 54.840 0.026 0.000 0.852 97 L CB 0.606 42.680 42.059 0.025 0.000 1.169 97 L HN 0.597 nan 8.230 nan 0.000 0.452 98 K N 5.401 125.814 120.400 0.022 0.000 2.180 98 K HA 0.516 4.836 4.320 -0.000 0.000 0.250 98 K C 0.161 176.774 176.600 0.021 0.000 1.135 98 K CA -0.093 56.208 56.287 0.023 0.000 1.037 98 K CB 0.679 33.190 32.500 0.018 0.000 1.624 98 K HN 0.876 nan 8.250 nan 0.000 0.382 99 G N 1.357 110.173 108.800 0.027 0.000 2.352 99 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.283 99 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.283 99 G C -1.875 173.039 174.900 0.023 0.000 1.308 99 G CA -0.878 44.235 45.100 0.022 0.000 0.892 99 G HN 0.265 nan 8.290 nan 0.000 0.504 100 D N -0.160 120.248 120.400 0.014 0.000 2.193 100 D HA 0.564 5.204 4.640 -0.000 0.000 0.249 100 D C -0.298 175.996 176.300 -0.010 0.000 1.034 100 D CA -0.266 53.737 54.000 0.005 0.000 0.902 100 D CB 2.299 43.101 40.800 0.003 0.000 1.182 100 D HN 0.418 nan 8.370 nan 0.000 0.436 101 L N 1.893 123.097 121.223 -0.031 0.000 2.275 101 L HA 0.343 4.683 4.340 -0.000 0.000 0.288 101 L C -1.106 175.732 176.870 -0.053 0.000 1.046 101 L CA -0.424 54.386 54.840 -0.051 0.000 0.805 101 L CB 1.345 43.354 42.059 -0.083 0.000 1.193 101 L HN 0.076 nan 8.230 nan 0.000 0.426 102 V N 5.283 125.171 119.914 -0.043 0.000 2.384 102 V HA 0.713 4.833 4.120 -0.000 0.000 0.287 102 V C 0.226 176.290 176.094 -0.051 0.000 1.020 102 V CA -0.497 61.783 62.300 -0.032 0.000 0.850 102 V CB 1.241 33.052 31.823 -0.020 0.000 0.987 102 V HN 0.943 nan 8.190 nan 0.000 0.436 103 A N 5.533 128.335 122.820 -0.030 0.000 2.280 103 A HA 0.599 4.919 4.320 -0.000 0.000 0.320 103 A C 0.145 177.680 177.584 -0.082 0.000 1.366 103 A CA -0.528 51.452 52.037 -0.095 0.000 0.938 103 A CB 0.152 19.140 19.000 -0.019 0.000 1.157 103 A HN 0.814 nan 8.150 nan 0.000 0.536 104 R N 3.374 123.765 120.500 -0.182 0.000 2.204 104 R HA 0.466 4.806 4.340 -0.000 0.000 0.341 104 R C -1.427 174.744 176.300 -0.215 0.000 1.035 104 R CA -0.267 55.776 56.100 -0.097 0.000 0.887 104 R CB 0.166 30.422 30.300 -0.073 0.000 1.114 104 R HN 0.551 nan 8.270 nan 0.000 0.473 105 F N 1.180 121.098 119.950 -0.053 0.000 2.370 105 F HA 0.394 4.921 4.527 -0.000 0.000 0.324 105 F C 1.570 177.304 175.800 -0.110 0.000 1.116 105 F CA 0.132 58.095 58.000 -0.063 0.000 1.123 105 F CB 1.909 40.878 39.000 -0.052 0.000 1.238 105 F HN 0.682 nan 8.300 nan 0.000 0.536 106 G N 0.265 109.103 108.800 0.063 0.000 4.530 106 G HA2 0.426 4.386 3.960 -0.000 0.000 0.284 106 G HA3 0.426 4.386 3.960 -0.000 0.000 0.284 106 G C 0.360 175.279 174.900 0.032 0.000 1.008 106 G CA 0.050 45.142 45.100 -0.013 0.000 0.770 106 G HN 1.157 nan 8.290 nan 0.000 0.424 107 A N 0.428 123.212 122.820 -0.060 0.000 2.887 107 A HA -0.206 4.114 4.320 -0.000 0.000 0.257 107 A C 0.521 177.992 177.584 -0.190 0.000 1.372 107 A CA 0.882 52.872 52.037 -0.079 0.000 0.879 107 A CB -1.981 16.921 19.000 -0.163 0.000 1.082 107 A HN 0.577 nan 8.150 nan 0.000 0.703 108 D N 0.044 120.368 120.400 -0.125 0.000 2.389 108 D HA 0.284 4.924 4.640 -0.000 0.000 0.263 108 D C -0.412 175.718 176.300 -0.283 0.000 1.255 108 D CA -0.968 52.820 54.000 -0.354 0.000 0.914 108 D CB 0.801 41.590 40.800 -0.019 0.000 1.116 108 D HN 0.326 nan 8.370 nan 0.000 0.502 109 P HA -0.058 nan 4.420 nan 0.000 0.233 109 P C 0.800 178.063 177.300 -0.062 0.000 1.167 109 P CA 0.769 63.767 63.100 -0.171 0.000 0.770 109 P CB 0.063 31.658 31.700 -0.176 0.000 0.837 110 T N -4.107 110.412 114.554 -0.059 0.000 3.054 110 T HA 0.194 4.544 4.350 -0.000 0.000 0.255 110 T C 0.558 175.279 174.700 0.035 0.000 1.035 110 T CA -0.479 61.625 62.100 0.007 0.000 0.941 110 T CB -0.645 68.236 68.868 0.021 0.000 1.026 110 T HN -0.144 nan 8.240 nan 0.000 0.533 111 L N 2.296 123.545 121.223 0.043 0.000 2.485 111 L HA 0.363 4.703 4.340 -0.000 0.000 0.275 111 L C -0.060 176.869 176.870 0.099 0.000 1.207 111 L CA 0.680 55.566 54.840 0.076 0.000 0.855 111 L CB 0.335 42.463 42.059 0.114 0.000 1.114 111 L HN 0.175 nan 8.230 nan 0.000 0.485 112 K N 3.711 124.164 120.400 0.088 0.000 2.400 112 K HA 0.424 4.744 4.320 -0.000 0.000 0.246 112 K C 0.773 177.424 176.600 0.086 0.000 0.995 112 K CA -0.941 55.400 56.287 0.090 0.000 0.840 112 K CB 1.773 34.309 32.500 0.060 0.000 1.293 112 K HN 0.424 nan 8.250 nan 0.000 0.445 113 R N 0.724 121.272 120.500 0.081 0.000 2.096 113 R HA -0.198 4.142 4.340 -0.000 0.000 0.240 113 R C 1.954 178.272 176.300 0.030 0.000 1.139 113 R CA 1.652 57.784 56.100 0.054 0.000 0.952 113 R CB -0.058 30.240 30.300 -0.003 0.000 0.854 113 R HN 0.496 nan 8.270 nan 0.000 0.436 114 Q N 0.463 120.269 119.800 0.011 0.000 2.135 114 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 114 Q C 1.525 177.531 176.000 0.009 0.000 0.981 114 Q CA 1.404 57.209 55.803 0.002 0.000 0.856 114 Q CB -0.168 28.568 28.738 -0.004 0.000 0.902 114 Q HN 0.433 nan 8.270 nan 0.000 0.425 115 D N 0.308 120.720 120.400 0.019 0.000 2.144 115 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 115 D C 1.939 178.241 176.300 0.003 0.000 0.984 115 D CA 0.617 54.623 54.000 0.009 0.000 0.834 115 D CB -0.018 40.792 40.800 0.016 0.000 0.955 115 D HN 0.192 nan 8.370 nan 0.000 0.465 116 I N 0.924 121.509 120.570 0.025 0.000 2.226 116 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 116 I C 2.510 178.633 176.117 0.009 0.000 1.100 116 I CA 0.819 62.133 61.300 0.023 0.000 1.374 116 I CB -0.909 37.134 38.000 0.072 0.000 1.057 116 I HN 0.008 nan 8.210 nan 0.000 0.413 117 R N 1.126 121.636 120.500 0.017 0.000 2.081 117 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 117 R C 2.046 178.342 176.300 -0.007 0.000 1.131 117 R CA 1.665 57.770 56.100 0.008 0.000 0.960 117 R CB -0.041 30.266 30.300 0.012 0.000 0.856 117 R HN 0.362 nan 8.270 nan 0.000 0.436 118 N N 0.388 119.083 118.700 -0.009 0.000 2.120 118 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 118 N C 1.784 177.280 175.510 -0.023 0.000 1.024 118 N CA 1.601 54.642 53.050 -0.015 0.000 0.852 118 N CB -0.212 38.267 38.487 -0.014 0.000 1.003 118 N HN 0.310 nan 8.380 nan 0.000 0.424 119 M N 0.143 119.724 119.600 -0.031 0.000 2.117 119 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 119 M C 1.992 178.268 176.300 -0.040 0.000 1.065 119 M CA 1.001 56.274 55.300 -0.044 0.000 1.114 119 M CB -0.107 32.452 32.600 -0.067 0.000 1.361 119 M HN -0.085 nan 8.290 nan 0.000 0.408 120 V N 0.295 120.188 119.914 -0.034 0.000 2.343 120 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 120 V C 2.590 178.670 176.094 -0.023 0.000 1.051 120 V CA 1.981 64.263 62.300 -0.030 0.000 1.036 120 V CB -1.152 30.656 31.823 -0.026 0.000 0.654 120 V HN 0.526 nan 8.190 nan 0.000 0.451 121 A N -0.369 122.439 122.820 -0.021 0.000 1.940 121 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 121 A C 2.394 179.968 177.584 -0.018 0.000 1.176 121 A CA 2.572 54.598 52.037 -0.018 0.000 0.631 121 A CB -0.946 18.044 19.000 -0.017 0.000 0.814 121 A HN 0.508 nan 8.150 nan 0.000 0.446 122 T N -0.004 114.538 114.554 -0.021 0.000 2.777 122 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 122 T C 1.839 176.527 174.700 -0.021 0.000 1.040 122 T CA 1.446 63.533 62.100 -0.022 0.000 1.141 122 T CB -0.366 68.486 68.868 -0.026 0.000 0.868 122 T HN 0.365 nan 8.240 nan 0.000 0.444 123 L N 1.488 122.697 121.223 -0.024 0.000 2.012 123 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 123 L C 2.276 179.139 176.870 -0.012 0.000 1.073 123 L CA 1.934 56.762 54.840 -0.021 0.000 0.748 123 L CB -0.571 41.471 42.059 -0.027 0.000 0.891 123 L HN 0.015 nan 8.230 nan 0.000 0.431 124 K N 0.293 120.688 120.400 -0.009 0.000 2.009 124 K HA -0.258 4.062 4.320 -0.000 0.000 0.210 124 K C 2.307 178.904 176.600 -0.005 0.000 1.049 124 K CA 2.122 58.406 56.287 -0.004 0.000 0.929 124 K CB -0.417 32.080 32.500 -0.004 0.000 0.714 124 K HN 0.341 nan 8.250 nan 0.000 0.440 125 K N 0.171 120.566 120.400 -0.008 0.000 2.152 125 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 125 K C 1.764 178.359 176.600 -0.008 0.000 1.048 125 K CA 1.586 57.868 56.287 -0.008 0.000 0.933 125 K CB -0.255 32.239 32.500 -0.010 0.000 0.721 125 K HN 0.350 nan 8.250 nan 0.000 0.447 126 S N -1.172 114.522 115.700 -0.009 0.000 2.507 126 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 126 S C 1.257 175.854 174.600 -0.005 0.000 0.988 126 S CA 0.889 59.084 58.200 -0.008 0.000 0.944 126 S CB 0.029 63.222 63.200 -0.011 0.000 0.762 126 S HN 0.546 nan 8.310 nan 0.000 0.526 127 G N -0.485 108.313 108.800 -0.003 0.000 2.192 127 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.193 127 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.193 127 G C -0.119 174.783 174.900 0.005 0.000 0.999 127 G CA -0.175 44.925 45.100 0.000 0.000 0.659 127 G HN 0.647 nan 8.290 nan 0.000 0.503 128 V N 2.013 121.931 119.914 0.006 0.000 2.385 128 V HA 0.391 4.511 4.120 -0.000 0.000 0.269 128 V C 0.668 176.775 176.094 0.021 0.000 1.043 128 V CA -0.291 62.017 62.300 0.013 0.000 0.906 128 V CB 1.400 33.230 31.823 0.011 0.000 0.995 128 V HN 0.302 nan 8.190 nan 0.000 0.467 129 N N 3.404 122.120 118.700 0.026 0.000 2.227 129 N HA 0.108 4.848 4.740 -0.000 0.000 0.196 129 N C 0.214 175.755 175.510 0.051 0.000 1.142 129 N CA 0.145 53.214 53.050 0.031 0.000 0.887 129 N CB 1.069 39.567 38.487 0.019 0.000 1.022 129 N HN 0.785 nan 8.380 nan 0.000 0.500 130 Q N 0.403 120.239 119.800 0.060 0.000 2.352 130 Q HA 0.417 4.757 4.340 -0.000 0.000 0.270 130 Q C -1.925 174.131 176.000 0.093 0.000 1.006 130 Q CA -0.425 55.427 55.803 0.082 0.000 0.880 130 Q CB 1.709 30.476 28.738 0.050 0.000 1.392 130 Q HN -0.006 nan 8.270 nan 0.000 0.401 131 I N 2.881 123.540 120.570 0.147 0.000 2.355 131 I HA 0.239 4.409 4.170 -0.000 0.000 0.288 131 I C -0.788 175.411 176.117 0.137 0.000 0.999 131 I CA -0.573 60.807 61.300 0.134 0.000 1.163 131 I CB 1.642 39.733 38.000 0.152 0.000 1.316 131 I HN 0.576 nan 8.210 nan 0.000 0.454 132 D N 5.939 126.391 120.400 0.087 0.000 2.524 132 D HA 0.593 5.233 4.640 -0.000 0.000 0.222 132 D C 0.132 176.475 176.300 0.072 0.000 1.142 132 D CA 0.281 54.325 54.000 0.074 0.000 0.973 132 D CB 0.294 41.123 40.800 0.047 0.000 1.025 132 D HN 0.769 nan 8.370 nan 0.000 0.519 133 G N 1.963 110.822 108.800 0.098 0.000 2.351 133 G HA2 0.044 4.004 3.960 -0.000 0.000 0.279 133 G HA3 0.044 4.004 3.960 -0.000 0.000 0.279 133 G C -1.154 173.812 174.900 0.110 0.000 1.297 133 G CA -1.074 44.076 45.100 0.082 0.000 0.886 133 G HN 0.411 nan 8.290 nan 0.000 0.493 134 N N -1.694 117.045 118.700 0.066 0.000 2.485 134 N HA 0.614 5.354 4.740 -0.000 0.000 0.280 134 N C -0.818 174.670 175.510 -0.037 0.000 1.205 134 N CA -0.647 52.431 53.050 0.047 0.000 0.959 134 N CB 2.540 41.050 38.487 0.039 0.000 1.206 134 N HN 0.326 nan 8.380 nan 0.000 0.545 135 V N 2.052 121.895 119.914 -0.118 0.000 2.334 135 V HA 0.319 4.439 4.120 -0.000 0.000 0.281 135 V C -0.501 175.535 176.094 -0.097 0.000 1.016 135 V CA -0.595 61.587 62.300 -0.197 0.000 0.832 135 V CB 0.507 32.056 31.823 -0.456 0.000 0.999 135 V HN 0.416 nan 8.190 nan 0.000 0.439 136 L N 5.747 126.939 121.223 -0.051 0.000 2.282 136 L HA 0.565 4.905 4.340 -0.000 0.000 0.288 136 L C -0.559 176.330 176.870 0.032 0.000 1.033 136 L CA -0.662 54.175 54.840 -0.005 0.000 0.807 136 L CB 1.603 43.665 42.059 0.005 0.000 1.209 136 L HN 0.379 nan 8.230 nan 0.000 0.423 137 I N 2.857 123.460 120.570 0.054 0.000 2.307 137 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 137 I C -0.041 176.147 176.117 0.118 0.000 1.054 137 I CA -0.058 61.316 61.300 0.123 0.000 1.218 137 I CB 0.797 38.826 38.000 0.048 0.000 1.398 137 I HN 0.562 nan 8.210 nan 0.000 0.475 138 D N 5.320 125.825 120.400 0.175 0.000 2.317 138 D HA 0.199 4.839 4.640 -0.000 0.000 0.234 138 D C 0.711 177.094 176.300 0.138 0.000 1.112 138 D CA -0.053 54.017 54.000 0.116 0.000 0.840 138 D CB 1.343 42.186 40.800 0.072 0.000 1.078 138 D HN 0.586 nan 8.370 nan 0.000 0.486 139 T N -0.503 114.095 114.554 0.072 0.000 3.182 139 T HA 0.035 4.385 4.350 -0.000 0.000 0.277 139 T C 1.488 176.198 174.700 0.017 0.000 1.013 139 T CA 0.051 62.175 62.100 0.039 0.000 0.900 139 T CB -0.223 68.661 68.868 0.027 0.000 1.098 139 T HN 0.212 nan 8.240 nan 0.000 0.543 140 S N 1.162 116.874 115.700 0.020 0.000 2.469 140 S HA -0.056 4.413 4.470 -0.000 0.000 0.238 140 S C 1.776 176.376 174.600 0.001 0.000 0.998 140 S CA 0.407 58.622 58.200 0.025 0.000 0.957 140 S CB -0.839 62.379 63.200 0.030 0.000 0.764 140 S HN 0.579 nan 8.310 nan 0.000 0.514 141 I N -0.242 120.273 120.570 -0.093 0.000 2.335 141 I HA 0.024 4.194 4.170 -0.000 0.000 0.251 141 I C 0.341 176.446 176.117 -0.021 0.000 1.129 141 I CA 1.189 62.338 61.300 -0.252 0.000 1.402 141 I CB 0.064 37.799 38.000 -0.442 0.000 1.069 141 I HN 0.306 nan 8.210 nan 0.000 0.424 142 F N -0.611 119.281 119.950 -0.097 0.000 2.598 142 F HA 0.673 5.200 4.527 -0.000 0.000 0.327 142 F C 0.197 175.971 175.800 -0.044 0.000 1.057 142 F CA -1.032 56.920 58.000 -0.081 0.000 0.957 142 F CB 1.555 40.510 39.000 -0.075 0.000 1.278 142 F HN -0.189 nan 8.300 nan 0.000 0.484 143 A N 0.940 123.837 122.820 0.128 0.000 2.583 143 A HA 0.699 5.019 4.320 -0.000 0.000 0.289 143 A C -0.248 177.335 177.584 -0.002 0.000 1.151 143 A CA -0.075 51.995 52.037 0.055 0.000 0.695 143 A CB 1.304 20.326 19.000 0.038 0.000 1.290 143 A HN 0.983 nan 8.150 nan 0.000 0.419 144 S N -1.067 114.612 115.700 -0.035 0.000 3.443 144 S HA -0.154 4.316 4.470 -0.000 0.000 0.635 144 S C -0.048 174.525 174.600 -0.044 0.000 2.555 144 S CA 0.470 58.597 58.200 -0.120 0.000 2.778 144 S CB -1.368 61.790 63.200 -0.071 0.000 0.331 144 S HN 1.280 nan 8.310 nan 0.000 1.765 145 H N 1.503 120.659 119.070 0.142 0.000 2.790 145 H HA 0.144 4.700 4.556 -0.000 0.000 0.358 145 H C 0.647 176.154 175.328 0.298 0.000 1.103 145 H CA 0.339 56.486 56.048 0.165 0.000 1.426 145 H CB 0.183 30.008 29.762 0.105 0.000 1.424 145 H HN 0.524 nan 8.280 nan 0.000 0.599 146 D N 1.988 122.621 120.400 0.389 0.000 2.319 146 D HA 0.035 4.675 4.640 -0.000 0.000 0.230 146 D C -0.036 176.537 176.300 0.455 0.000 1.094 146 D CA 0.581 54.834 54.000 0.421 0.000 0.856 146 D CB 0.497 41.479 40.800 0.303 0.000 0.915 146 D HN 0.380 nan 8.370 nan 0.000 0.517 147 K N 0.386 120.903 120.400 0.195 0.000 2.397 147 K HA 0.607 4.927 4.320 -0.000 0.000 0.253 147 K C -0.560 175.221 176.600 -1.366 0.000 0.932 147 K CA -0.678 55.326 56.287 -0.472 0.000 0.795 147 K CB 2.784 35.186 32.500 -0.163 0.000 1.159 147 K HN -0.145 nan 8.250 nan 0.000 0.424 148 A N 3.592 124.649 122.820 -2.937 0.000 2.386 148 A HA 0.396 4.716 4.320 -0.000 0.000 0.248 148 A C -2.216 174.414 177.584 -1.590 0.000 1.082 148 A CA -1.217 49.077 52.037 -2.905 0.000 0.789 148 A CB -0.404 16.803 19.000 -2.988 0.000 1.025 148 A HN 0.409 nan 8.150 nan 0.000 0.490 149 P HA 0.252 nan 4.420 nan 0.000 0.268 149 P C 0.848 177.655 177.300 -0.821 0.000 1.204 149 P CA 1.546 64.276 63.100 -0.616 0.000 0.768 149 P CB 0.683 32.230 31.700 -0.254 0.000 0.842 150 G N 0.789 109.080 108.800 -0.849 0.000 2.176 150 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 150 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 150 G C -0.484 174.291 174.900 -0.207 0.000 0.979 150 G CA -0.599 43.955 45.100 -0.911 0.000 0.641 150 G HN 0.339 nan 8.290 nan 0.000 0.530 151 W N 1.685 122.766 121.300 -0.366 0.000 2.266 151 W HA 0.557 5.217 4.660 -0.000 0.000 0.317 151 W C -1.801 174.618 176.519 -0.165 0.000 1.310 151 W CA -2.601 54.596 57.345 -0.246 0.000 1.207 151 W CB -0.162 29.143 29.460 -0.258 0.000 1.199 151 W HN 0.012 nan 8.180 nan 0.000 0.544 152 P HA -0.121 nan 4.420 nan 0.000 0.264 152 P C 1.283 178.553 177.300 -0.049 0.000 1.193 152 P CA -0.029 63.063 63.100 -0.013 0.000 0.763 152 P CB 0.324 31.962 31.700 -0.104 0.000 0.810 153 W N 5.341 126.639 121.300 -0.002 0.000 2.350 153 W HA -0.239 4.421 4.660 -0.000 0.000 0.289 153 W C 0.633 177.140 176.519 -0.019 0.000 1.215 153 W CA 1.625 58.962 57.345 -0.012 0.000 1.236 153 W CB -1.620 27.827 29.460 -0.022 0.000 1.130 153 W HN 0.421 nan 8.180 nan 0.000 0.541 154 N N 0.257 117.990 118.700 -1.612 0.000 2.457 154 N HA -0.155 4.585 4.740 -0.000 0.000 0.180 154 N C 0.876 175.939 175.510 -0.745 0.000 1.050 154 N CA 1.457 53.442 53.050 -1.775 0.000 0.906 154 N CB -0.570 37.030 38.487 -1.479 0.000 0.968 154 N HN -0.101 nan 8.380 nan 0.000 0.445 155 D N -0.284 119.815 120.400 -0.502 0.000 2.339 155 D HA 0.034 4.674 4.640 -0.000 0.000 0.217 155 D C 1.145 177.190 176.300 -0.426 0.000 1.050 155 D CA 0.126 53.877 54.000 -0.416 0.000 0.856 155 D CB 0.081 40.686 40.800 -0.326 0.000 0.922 155 D HN 0.254 nan 8.370 nan 0.000 0.518 156 M N 0.429 119.873 119.600 -0.261 0.000 2.374 156 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 156 M C 1.663 177.902 176.300 -0.102 0.000 1.067 156 M CA 1.109 56.331 55.300 -0.131 0.000 1.103 156 M CB -0.290 32.328 32.600 0.028 0.000 1.402 156 M HN -0.043 nan 8.290 nan 0.000 0.444 157 T N -2.653 111.844 114.554 -0.095 0.000 3.107 157 T HA 0.155 4.505 4.350 -0.000 0.000 0.249 157 T C 0.647 175.324 174.700 -0.038 0.000 1.096 157 T CA -0.185 61.926 62.100 0.018 0.000 1.012 157 T CB -0.097 68.817 68.868 0.077 0.000 0.977 157 T HN 0.221 nan 8.240 nan 0.000 0.527 158 Q N 0.174 119.812 119.800 -0.270 0.000 2.243 158 Q HA 0.294 4.634 4.340 -0.000 0.000 0.252 158 Q C 0.795 176.523 176.000 -0.453 0.000 0.909 158 Q CA -0.351 55.213 55.803 -0.399 0.000 0.922 158 Q CB 1.519 29.806 28.738 -0.752 0.000 1.215 158 Q HN 0.288 nan 8.270 nan 0.000 0.427 159 c N 1.552 119.975 118.600 -0.295 0.000 2.411 159 c HA -0.175 4.395 4.570 -0.000 0.000 0.279 159 c C 2.288 176.274 174.090 -0.173 0.000 1.288 159 c CA 0.610 56.814 56.329 -0.208 0.000 1.764 159 c CB -1.302 41.115 42.510 -0.155 0.000 1.974 159 c HN 0.916 nan 8.230 nan 0.000 0.498 160 F N 0.620 120.485 119.950 -0.141 0.000 2.451 160 F HA 0.022 4.549 4.527 -0.000 0.000 0.299 160 F C 1.878 177.545 175.800 -0.222 0.000 1.101 160 F CA 1.335 59.240 58.000 -0.158 0.000 1.436 160 F CB -0.710 38.193 39.000 -0.161 0.000 1.074 160 F HN 0.115 nan 8.300 nan 0.000 0.553 161 S N 0.104 115.403 115.700 -0.667 0.000 2.754 161 S HA 0.606 5.076 4.470 -0.000 0.000 0.247 161 S C 0.572 174.957 174.600 -0.358 0.000 1.031 161 S CA -0.210 57.611 58.200 -0.632 0.000 1.014 161 S CB -0.999 61.674 63.200 -0.880 0.000 0.918 161 S HN 0.537 nan 8.310 nan 0.000 0.519 162 A N 3.002 125.699 122.820 -0.205 0.000 2.548 162 A HA 0.369 4.689 4.320 -0.000 0.000 0.247 162 A C -2.456 175.184 177.584 0.092 0.000 1.067 162 A CA -0.619 51.388 52.037 -0.050 0.000 0.757 162 A CB -0.457 18.525 19.000 -0.030 0.000 0.996 162 A HN 0.370 nan 8.150 nan 0.000 0.504 163 P HA 0.060 nan 4.420 nan 0.000 0.255 163 P C -2.312 175.174 177.300 0.310 0.000 1.173 163 P CA -0.332 62.968 63.100 0.333 0.000 0.780 163 P CB 0.075 31.925 31.700 0.250 0.000 0.758 164 P HA 0.140 nan 4.420 nan 0.000 0.238 164 P C -0.229 177.276 177.300 0.341 0.000 1.794 164 P CA 0.039 63.346 63.100 0.345 0.000 1.088 164 P CB 0.027 31.980 31.700 0.421 0.000 1.923 165 A N 2.724 125.703 122.820 0.264 0.000 2.280 165 A HA 0.523 4.843 4.320 -0.000 0.000 0.268 165 A C 1.766 179.479 177.584 0.215 0.000 1.111 165 A CA 0.157 52.346 52.037 0.254 0.000 0.814 165 A CB 0.026 19.116 19.000 0.151 0.000 1.093 165 A HN 0.346 nan 8.150 nan 0.000 0.498 166 A N -0.273 122.631 122.820 0.140 0.000 1.969 166 A HA 0.345 4.665 4.320 -0.000 0.000 0.218 166 A C 1.370 178.944 177.584 -0.016 0.000 1.169 166 A CA 1.641 53.610 52.037 -0.112 0.000 0.635 166 A CB -0.667 18.213 19.000 -0.199 0.000 0.810 166 A HN 1.844 nan 8.150 nan 0.000 0.445 167 A N 0.237 123.006 122.820 -0.086 0.000 2.444 167 A HA 0.633 4.953 4.320 -0.000 0.000 0.332 167 A C -0.386 177.133 177.584 -0.107 0.000 1.430 167 A CA -0.310 51.531 52.037 -0.326 0.000 0.975 167 A CB -0.292 18.269 19.000 -0.733 0.000 1.147 167 A HN 0.322 nan 8.150 nan 0.000 0.524 168 I N 2.529 123.126 120.570 0.045 0.000 2.465 168 I HA 0.509 4.679 4.170 -0.000 0.000 0.291 168 I C -0.873 175.356 176.117 0.186 0.000 1.014 168 I CA -0.902 60.462 61.300 0.107 0.000 1.093 168 I CB 2.326 40.379 38.000 0.088 0.000 1.267 168 I HN 0.259 nan 8.210 nan 0.000 0.431 169 V N 4.089 124.148 119.914 0.242 0.000 2.569 169 V HA 0.305 4.425 4.120 -0.000 0.000 0.301 169 V C -0.740 175.537 176.094 0.304 0.000 1.044 169 V CA -0.671 61.795 62.300 0.277 0.000 0.874 169 V CB 1.629 33.633 31.823 0.301 0.000 1.002 169 V HN 0.835 nan 8.190 nan 0.000 0.424 170 D N 3.699 124.234 120.400 0.224 0.000 2.689 170 D HA -0.196 4.443 4.640 -0.000 0.000 0.237 170 D C 1.028 177.441 176.300 0.189 0.000 1.148 170 D CA 1.134 55.266 54.000 0.218 0.000 0.656 170 D CB -0.678 40.304 40.800 0.303 0.000 1.050 170 D HN 0.887 nan 8.370 nan 0.000 0.426 171 R N -1.640 118.941 120.500 0.135 0.000 4.000 171 R HA -0.284 4.056 4.340 -0.000 0.000 0.362 171 R C 0.082 176.421 176.300 0.065 0.000 1.183 171 R CA 0.837 56.989 56.100 0.087 0.000 1.011 171 R CB -1.760 28.578 30.300 0.063 0.000 1.501 171 R HN 0.312 nan 8.270 nan 0.000 0.553 172 N N -1.508 117.240 118.700 0.081 0.000 2.721 172 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 172 N C -0.676 174.797 175.510 -0.061 0.000 1.072 172 N CA 1.557 54.577 53.050 -0.051 0.000 0.710 172 N CB -1.247 37.213 38.487 -0.045 0.000 0.993 172 N HN 0.511 nan 8.380 nan 0.000 0.547 173 c N 1.079 119.681 118.600 0.004 0.000 2.498 173 c HA 0.859 5.429 4.570 -0.000 0.000 0.316 173 c C -0.679 173.403 174.090 -0.012 0.000 1.209 173 c CA -0.906 55.385 56.329 -0.063 0.000 1.518 173 c CB 0.155 42.622 42.510 -0.072 0.000 2.147 173 c HN 0.324 nan 8.230 nan 0.000 0.483 174 F N 3.561 123.305 119.950 -0.344 0.000 2.613 174 F HA 0.852 5.379 4.527 -0.000 0.000 0.314 174 F C -0.374 175.108 175.800 -0.531 0.000 1.075 174 F CA -0.499 57.099 58.000 -0.670 0.000 0.945 174 F CB 1.152 39.398 39.000 -1.257 0.000 1.310 174 F HN 0.595 nan 8.300 nan 0.000 0.467 175 S N 1.302 116.778 115.700 -0.374 0.000 2.607 175 S HA 0.928 5.398 4.470 -0.000 0.000 0.303 175 S C -1.434 173.115 174.600 -0.084 0.000 1.086 175 S CA -0.713 57.314 58.200 -0.288 0.000 0.995 175 S CB 1.896 65.025 63.200 -0.120 0.000 1.084 175 S HN 0.893 nan 8.310 nan 0.000 0.507 176 V N 0.729 120.561 119.914 -0.137 0.000 3.087 176 V HA 0.668 4.788 4.120 -0.000 0.000 0.306 176 V C -0.821 175.246 176.094 -0.045 0.000 1.187 176 V CA -0.606 61.691 62.300 -0.006 0.000 0.999 176 V CB 2.701 34.555 31.823 0.050 0.000 1.049 176 V HN 1.038 nan 8.190 nan 0.000 0.431 177 S N 3.192 118.909 115.700 0.027 0.000 2.478 177 S HA 0.670 5.140 4.470 -0.000 0.000 0.312 177 S C -0.999 173.580 174.600 -0.036 0.000 1.094 177 S CA -0.334 57.833 58.200 -0.056 0.000 1.081 177 S CB 1.365 64.551 63.200 -0.024 0.000 1.007 177 S HN 0.533 nan 8.310 nan 0.000 0.475 178 L N 4.807 125.927 121.223 -0.171 0.000 2.280 178 L HA 0.562 4.901 4.340 -0.000 0.000 0.287 178 L C -1.774 174.897 176.870 -0.333 0.000 1.023 178 L CA -0.305 54.452 54.840 -0.138 0.000 0.819 178 L CB 0.162 42.178 42.059 -0.070 0.000 1.212 178 L HN 0.563 nan 8.230 nan 0.000 0.420 179 Y N 2.635 122.635 120.300 -0.500 0.000 2.330 179 Y HA 0.486 5.036 4.550 -0.000 0.000 0.336 179 Y C 0.856 176.422 175.900 -0.557 0.000 1.036 179 Y CA -0.545 57.155 58.100 -0.666 0.000 1.125 179 Y CB 1.512 39.156 38.460 -1.361 0.000 1.194 179 Y HN 0.705 nan 8.280 nan 0.000 0.469 180 S N 1.643 117.256 115.700 -0.145 0.000 2.572 180 S HA 0.572 5.042 4.470 -0.000 0.000 0.279 180 S C 0.269 174.909 174.600 0.066 0.000 1.341 180 S CA -0.874 57.304 58.200 -0.037 0.000 1.043 180 S CB 0.846 64.042 63.200 -0.007 0.000 0.887 180 S HN 0.838 nan 8.310 nan 0.000 0.516 181 A N 2.777 125.681 122.820 0.139 0.000 2.445 181 A HA 0.464 4.784 4.320 -0.000 0.000 0.242 181 A C -1.244 176.435 177.584 0.158 0.000 1.075 181 A CA -1.451 50.720 52.037 0.224 0.000 0.777 181 A CB -0.535 18.572 19.000 0.178 0.000 1.013 181 A HN 0.689 nan 8.150 nan 0.000 0.493 182 P HA -0.081 nan 4.420 nan 0.000 0.217 182 P C 0.293 177.639 177.300 0.076 0.000 1.150 182 P CA 1.206 64.371 63.100 0.107 0.000 0.832 182 P CB 0.158 31.915 31.700 0.095 0.000 0.787 183 K N 0.361 120.805 120.400 0.074 0.000 2.253 183 K HA 0.276 4.596 4.320 -0.000 0.000 0.277 183 K C -2.512 174.122 176.600 0.057 0.000 1.053 183 K CA -2.650 53.671 56.287 0.056 0.000 0.892 183 K CB 0.513 33.042 32.500 0.048 0.000 1.102 183 K HN -0.132 nan 8.250 nan 0.000 0.469 184 P HA -0.047 nan 4.420 nan 0.000 0.265 184 P C 0.473 177.798 177.300 0.042 0.000 1.187 184 P CA 0.951 64.076 63.100 0.042 0.000 0.766 184 P CB 0.728 32.447 31.700 0.032 0.000 0.820 185 G N 1.696 110.522 108.800 0.044 0.000 2.317 185 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.227 185 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.227 185 G C 0.114 175.045 174.900 0.051 0.000 1.042 185 G CA -0.153 44.973 45.100 0.042 0.000 0.623 185 G HN 0.517 nan 8.290 nan 0.000 0.509 186 D N 0.729 121.166 120.400 0.062 0.000 2.358 186 D HA 0.528 5.168 4.640 -0.000 0.000 0.244 186 D C 0.850 177.208 176.300 0.096 0.000 1.163 186 D CA -0.240 53.806 54.000 0.076 0.000 0.945 186 D CB 0.541 41.390 40.800 0.083 0.000 1.152 186 D HN 0.155 nan 8.370 nan 0.000 0.451 187 M N 1.236 120.902 119.600 0.111 0.000 2.238 187 M HA 0.238 4.718 4.480 -0.000 0.000 0.350 187 M C -0.113 176.300 176.300 0.188 0.000 1.321 187 M CA -0.265 55.114 55.300 0.131 0.000 1.097 187 M CB 0.531 33.210 32.600 0.130 0.000 1.713 187 M HN 0.373 nan 8.290 nan 0.000 0.455 188 A N 5.005 127.912 122.820 0.145 0.000 2.445 188 A HA 0.471 4.791 4.320 -0.000 0.000 0.242 188 A C -0.575 177.126 177.584 0.195 0.000 1.075 188 A CA -0.239 51.867 52.037 0.115 0.000 0.777 188 A CB -0.307 18.711 19.000 0.031 0.000 1.013 188 A HN 0.778 nan 8.150 nan 0.000 0.493 189 F N -0.434 119.594 119.950 0.129 0.000 2.561 189 F HA 0.815 5.342 4.527 -0.000 0.000 0.321 189 F C -0.720 175.185 175.800 0.175 0.000 1.065 189 F CA -1.558 56.511 58.000 0.115 0.000 0.934 189 F CB 1.140 40.172 39.000 0.053 0.000 1.215 189 F HN 0.326 nan 8.300 nan 0.000 0.471 190 I N 3.498 124.250 120.570 0.303 0.000 2.378 190 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 190 I C -0.428 175.846 176.117 0.262 0.000 0.992 190 I CA -0.928 60.510 61.300 0.228 0.000 1.154 190 I CB 1.373 39.475 38.000 0.170 0.000 1.315 190 I HN 0.480 nan 8.210 nan 0.000 0.448 191 R N 5.057 125.729 120.500 0.287 0.000 2.346 191 R HA 0.674 5.014 4.340 -0.000 0.000 0.311 191 R C -1.014 175.395 176.300 0.183 0.000 0.983 191 R CA -0.773 55.470 56.100 0.239 0.000 0.880 191 R CB 2.055 32.545 30.300 0.317 0.000 1.100 191 R HN 0.445 nan 8.270 nan 0.000 0.453 192 V N 1.353 121.351 119.914 0.141 0.000 2.760 192 V HA 0.647 4.767 4.120 -0.000 0.000 0.309 192 V C -0.461 175.697 176.094 0.107 0.000 1.077 192 V CA -0.858 61.531 62.300 0.149 0.000 0.910 192 V CB 2.037 33.940 31.823 0.133 0.000 1.008 192 V HN 0.931 nan 8.190 nan 0.000 0.424 193 A N 4.192 127.081 122.820 0.115 0.000 2.531 193 A HA 0.356 4.675 4.320 -0.000 0.000 0.236 193 A C 1.498 178.974 177.584 -0.180 0.000 1.062 193 A CA 0.698 52.704 52.037 -0.051 0.000 0.760 193 A CB 0.286 19.173 19.000 -0.189 0.000 0.995 193 A HN 1.903 nan 8.150 nan 0.000 0.501 194 S N 1.512 117.148 115.700 -0.107 0.000 2.423 194 S HA -0.226 4.244 4.470 -0.000 0.000 0.231 194 S C 1.475 175.961 174.600 -0.190 0.000 1.014 194 S CA 1.592 59.732 58.200 -0.101 0.000 0.965 194 S CB -0.794 62.385 63.200 -0.035 0.000 0.785 194 S HN 1.122 nan 8.310 nan 0.000 0.495 195 Y N -0.248 119.885 120.300 -0.279 0.000 2.516 195 Y HA 0.379 4.929 4.550 -0.000 0.000 0.291 195 Y C 0.170 175.879 175.900 -0.319 0.000 1.131 195 Y CA -1.079 56.772 58.100 -0.414 0.000 1.281 195 Y CB -0.838 37.344 38.460 -0.462 0.000 1.013 195 Y HN 0.100 nan 8.280 nan 0.000 0.554 196 Y N 4.855 124.707 120.300 -0.748 0.000 2.537 196 Y HA 0.240 4.790 4.550 -0.000 0.000 0.339 196 Y C -2.105 173.612 175.900 -0.304 0.000 1.066 196 Y CA -3.637 54.169 58.100 -0.489 0.000 1.357 196 Y CB 0.235 38.417 38.460 -0.463 0.000 1.175 196 Y HN 0.091 nan 8.280 nan 0.000 0.525 197 P HA 0.088 nan 4.420 nan 0.000 0.237 197 P C -0.763 176.541 177.300 0.006 0.000 1.788 197 P CA 0.173 63.228 63.100 -0.074 0.000 1.061 197 P CB -0.214 31.408 31.700 -0.130 0.000 1.967 198 V N -0.805 119.060 119.914 -0.082 0.000 3.102 198 V HA 0.783 4.903 4.120 -0.000 0.000 0.312 198 V C -0.434 175.612 176.094 -0.080 0.000 1.135 198 V CA -0.794 61.437 62.300 -0.115 0.000 1.022 198 V CB 2.080 33.583 31.823 -0.532 0.000 1.056 198 V HN 0.066 nan 8.190 nan 0.000 0.436 199 T N 4.870 119.414 114.554 -0.018 0.000 2.815 199 T HA 0.627 4.977 4.350 -0.000 0.000 0.289 199 T C -0.455 174.136 174.700 -0.181 0.000 1.000 199 T CA -0.381 61.638 62.100 -0.135 0.000 0.958 199 T CB 0.987 69.793 68.868 -0.104 0.000 0.944 199 T HN 0.645 nan 8.240 nan 0.000 0.442 200 M N 3.691 123.121 119.600 -0.284 0.000 2.300 200 M HA 0.574 5.053 4.480 -0.000 0.000 0.348 200 M C -0.976 175.069 176.300 -0.426 0.000 1.151 200 M CA -0.818 54.386 55.300 -0.160 0.000 1.046 200 M CB 0.748 33.348 32.600 0.000 0.000 1.647 200 M HN 0.490 nan 8.290 nan 0.000 0.451 201 F N 0.049 120.069 119.950 0.116 0.000 2.565 201 F HA 0.468 4.995 4.527 -0.000 0.000 0.313 201 F C 0.301 176.158 175.800 0.094 0.000 1.091 201 F CA -0.756 57.299 58.000 0.091 0.000 0.915 201 F CB 2.105 41.145 39.000 0.067 0.000 1.208 201 F HN 0.488 nan 8.300 nan 0.000 0.453 202 S N 1.777 117.644 115.700 0.279 0.000 2.498 202 S HA 0.366 4.836 4.470 -0.000 0.000 0.317 202 S C -0.415 174.285 174.600 0.166 0.000 1.090 202 S CA -0.452 57.866 58.200 0.197 0.000 1.089 202 S CB 0.894 64.203 63.200 0.181 0.000 0.997 202 S HN 0.765 nan 8.310 nan 0.000 0.470 203 Q N 3.203 123.080 119.800 0.129 0.000 2.182 203 Q HA 0.287 4.626 4.340 -0.000 0.000 0.270 203 Q C -0.810 175.238 176.000 0.081 0.000 0.861 203 Q CA -0.225 55.634 55.803 0.092 0.000 1.098 203 Q CB 1.059 29.836 28.738 0.065 0.000 1.188 203 Q HN 0.493 nan 8.270 nan 0.000 0.464 204 V N 1.722 121.691 119.914 0.091 0.000 2.385 204 V HA 0.223 4.343 4.120 -0.000 0.000 0.269 204 V C 0.367 176.504 176.094 0.072 0.000 1.043 204 V CA -0.312 62.034 62.300 0.076 0.000 0.906 204 V CB 0.831 32.699 31.823 0.074 0.000 0.995 204 V HN 0.303 nan 8.190 nan 0.000 0.467 205 R N 2.841 123.377 120.500 0.060 0.000 2.340 205 R HA 0.354 4.694 4.340 -0.000 0.000 0.300 205 R C 0.068 176.398 176.300 0.050 0.000 1.069 205 R CA -0.282 55.852 56.100 0.056 0.000 0.984 205 R CB 0.796 31.124 30.300 0.047 0.000 1.003 205 R HN 0.643 nan 8.270 nan 0.000 0.459 206 T N 4.770 119.356 114.554 0.055 0.000 2.832 206 T HA 0.279 4.628 4.350 -0.000 0.000 0.296 206 T C 0.270 174.992 174.700 0.037 0.000 0.968 206 T CA -0.316 61.811 62.100 0.046 0.000 1.107 206 T CB 0.453 69.356 68.868 0.059 0.000 0.916 206 T HN 0.230 nan 8.240 nan 0.000 0.517 207 L N 5.138 126.378 121.223 0.027 0.000 2.334 207 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 207 L C -2.144 174.737 176.870 0.018 0.000 1.036 207 L CA -2.768 52.085 54.840 0.022 0.000 0.807 207 L CB 1.096 43.165 42.059 0.017 0.000 1.231 207 L HN 0.319 nan 8.230 nan 0.000 0.438 208 P HA -0.065 nan 4.420 nan 0.000 0.266 208 P C 0.271 177.575 177.300 0.007 0.000 1.186 208 P CA -0.298 62.810 63.100 0.013 0.000 0.767 208 P CB 0.326 32.033 31.700 0.013 0.000 0.820 209 R N 2.852 123.355 120.500 0.005 0.000 2.140 209 R HA -0.163 4.176 4.340 -0.000 0.000 0.250 209 R C 1.087 177.383 176.300 -0.006 0.000 1.150 209 R CA 2.559 58.659 56.100 -0.001 0.000 0.966 209 R CB -2.046 28.254 30.300 -0.001 0.000 0.869 209 R HN 0.572 nan 8.270 nan 0.000 0.445 210 G N 0.939 109.736 108.800 -0.004 0.000 4.547 210 G HA2 0.179 4.139 3.960 -0.000 0.000 0.301 210 G HA3 0.179 4.139 3.960 -0.000 0.000 0.301 210 G C -0.727 174.168 174.900 -0.007 0.000 1.240 210 G CA -0.248 44.846 45.100 -0.009 0.000 0.970 210 G HN 0.352 nan 8.290 nan 0.000 0.574 211 S N -0.209 115.487 115.700 -0.005 0.000 2.572 211 S HA 0.438 4.908 4.470 -0.000 0.000 0.279 211 S C 1.735 176.331 174.600 -0.008 0.000 1.341 211 S CA 0.298 58.497 58.200 -0.001 0.000 1.043 211 S CB 1.103 64.306 63.200 0.004 0.000 0.887 211 S HN 0.587 nan 8.310 nan 0.000 0.516 212 A N 2.908 125.727 122.820 -0.001 0.000 1.975 212 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 212 A C 1.876 179.462 177.584 0.003 0.000 1.170 212 A CA 0.997 53.032 52.037 -0.003 0.000 0.656 212 A CB -0.618 18.387 19.000 0.009 0.000 0.821 212 A HN 0.949 nan 8.150 nan 0.000 0.449 213 E N 0.127 120.337 120.200 0.017 0.000 2.331 213 E HA -0.145 4.205 4.350 -0.000 0.000 0.199 213 E C 1.867 178.478 176.600 0.019 0.000 1.008 213 E CA 0.695 57.114 56.400 0.032 0.000 0.843 213 E CB -0.164 29.556 29.700 0.033 0.000 0.761 213 E HN 0.593 nan 8.360 nan 0.000 0.507 214 A N 0.644 123.461 122.820 -0.005 0.000 2.067 214 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 214 A C 2.010 179.556 177.584 -0.062 0.000 1.158 214 A CA 1.273 53.297 52.037 -0.022 0.000 0.661 214 A CB -0.362 18.622 19.000 -0.027 0.000 0.801 214 A HN 0.357 nan 8.150 nan 0.000 0.452 215 Q N -1.446 118.290 119.800 -0.107 0.000 1.993 215 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 215 Q C 0.888 176.663 176.000 -0.376 0.000 0.984 215 Q CA 1.919 57.549 55.803 -0.288 0.000 0.837 215 Q CB -0.143 28.367 28.738 -0.380 0.000 0.902 215 Q HN 0.787 nan 8.270 nan 0.000 0.423 216 Y N -1.505 118.803 120.300 0.013 0.000 2.531 216 Y HA 0.240 4.789 4.550 -0.000 0.000 0.249 216 Y C -0.046 175.865 175.900 0.018 0.000 1.168 216 Y CA -1.013 57.096 58.100 0.016 0.000 1.226 216 Y CB 1.083 39.552 38.460 0.015 0.000 1.177 216 Y HN 0.134 nan 8.280 nan 0.000 0.527 217 c N 3.152 121.826 118.600 0.123 0.000 2.303 217 c HA 0.281 4.851 4.570 -0.000 0.000 0.341 217 c C 0.297 174.429 174.090 0.070 0.000 1.244 217 c CA -0.525 55.857 56.329 0.089 0.000 1.765 217 c CB -0.960 41.588 42.510 0.062 0.000 2.379 217 c HN 0.274 nan 8.230 nan 0.000 0.530 218 E N 3.168 123.415 120.200 0.079 0.000 2.349 218 E HA 0.279 4.628 4.350 -0.000 0.000 0.262 218 E C -0.677 175.958 176.600 0.059 0.000 1.088 218 E CA -0.472 55.969 56.400 0.069 0.000 0.899 218 E CB 1.397 31.147 29.700 0.082 0.000 1.044 218 E HN 0.634 nan 8.360 nan 0.000 0.420 219 L N 2.527 123.782 121.223 0.053 0.000 2.280 219 L HA 0.336 4.676 4.340 -0.000 0.000 0.287 219 L C -0.964 175.947 176.870 0.069 0.000 1.023 219 L CA -0.102 54.771 54.840 0.056 0.000 0.819 219 L CB 0.824 42.910 42.059 0.045 0.000 1.212 219 L HN 0.230 nan 8.230 nan 0.000 0.420 220 D N 3.166 123.610 120.400 0.074 0.000 2.419 220 D HA 0.431 5.071 4.640 -0.000 0.000 0.234 220 D C -1.167 175.167 176.300 0.058 0.000 1.014 220 D CA -0.219 53.827 54.000 0.078 0.000 0.919 220 D CB 2.958 43.812 40.800 0.089 0.000 1.366 220 D HN 0.321 nan 8.370 nan 0.000 0.490 221 V N 1.240 121.172 119.914 0.029 0.000 2.459 221 V HA 0.481 4.601 4.120 -0.000 0.000 0.295 221 V C -1.068 175.033 176.094 0.012 0.000 1.029 221 V CA -0.372 61.885 62.300 -0.071 0.000 0.874 221 V CB 1.597 33.195 31.823 -0.376 0.000 0.985 221 V HN 0.288 nan 8.190 nan 0.000 0.438 222 V N 9.287 129.213 119.914 0.021 0.000 2.349 222 V HA 0.468 4.588 4.120 -0.000 0.000 0.284 222 V C -2.314 173.758 176.094 -0.038 0.000 1.014 222 V CA -1.423 60.894 62.300 0.027 0.000 0.826 222 V CB 1.728 33.564 31.823 0.022 0.000 1.009 222 V HN 0.849 nan 8.190 nan 0.000 0.431 223 P HA 0.436 nan 4.420 nan 0.000 0.279 223 P C -0.011 177.138 177.300 -0.252 0.000 1.239 223 P CA 0.226 63.110 63.100 -0.360 0.000 0.789 223 P CB 2.076 33.578 31.700 -0.329 0.000 0.933 224 G N 1.401 110.014 108.800 -0.312 0.000 3.013 224 G HA2 0.363 4.323 3.960 -0.000 0.000 0.278 224 G HA3 0.363 4.323 3.960 -0.000 0.000 0.278 224 G C -0.917 173.883 174.900 -0.166 0.000 1.353 224 G CA -0.567 44.431 45.100 -0.169 0.000 1.043 224 G HN 0.332 nan 8.290 nan 0.000 0.523 225 D N -0.255 120.094 120.400 -0.085 0.000 2.368 225 D HA 0.172 4.812 4.640 -0.000 0.000 0.240 225 D C 1.243 177.520 176.300 -0.039 0.000 1.169 225 D CA 0.263 54.231 54.000 -0.053 0.000 0.906 225 D CB 0.823 41.610 40.800 -0.022 0.000 1.187 225 D HN 0.378 nan 8.370 nan 0.000 0.435 226 L N 1.282 122.497 121.223 -0.014 0.000 3.678 226 L HA -0.334 4.006 4.340 -0.000 0.000 0.425 226 L C -0.104 176.778 176.870 0.019 0.000 1.240 226 L CA -0.005 54.846 54.840 0.018 0.000 0.876 226 L CB -1.601 40.479 42.059 0.035 0.000 1.766 226 L HN 0.552 nan 8.230 nan 0.000 0.917 227 N N -1.190 117.491 118.700 -0.031 0.000 2.735 227 N HA -0.171 4.568 4.740 -0.000 0.000 0.248 227 N C 0.311 175.830 175.510 0.015 0.000 1.083 227 N CA 1.166 54.214 53.050 -0.003 0.000 0.703 227 N CB -0.494 38.086 38.487 0.155 0.000 1.005 227 N HN 0.474 nan 8.380 nan 0.000 0.550 228 R N -0.283 120.153 120.500 -0.107 0.000 2.410 228 R HA 0.585 4.925 4.340 -0.000 0.000 0.288 228 R C -0.202 175.976 176.300 -0.204 0.000 1.051 228 R CA 0.154 56.267 56.100 0.023 0.000 1.021 228 R CB 0.440 30.817 30.300 0.129 0.000 1.032 228 R HN 0.050 nan 8.270 nan 0.000 0.481 229 F N -0.233 119.775 119.950 0.097 0.000 2.561 229 F HA 0.398 4.924 4.527 -0.000 0.000 0.313 229 F C -0.118 175.754 175.800 0.120 0.000 1.126 229 F CA -0.649 57.377 58.000 0.044 0.000 0.918 229 F CB 2.443 41.417 39.000 -0.043 0.000 1.199 229 F HN 0.261 nan 8.300 nan 0.000 0.444 230 T N 4.500 119.196 114.554 0.238 0.000 2.792 230 T HA 0.564 4.914 4.350 -0.000 0.000 0.280 230 T C -0.838 173.939 174.700 0.127 0.000 0.990 230 T CA -0.508 61.726 62.100 0.224 0.000 0.960 230 T CB 1.110 70.067 68.868 0.147 0.000 0.939 230 T HN 0.122 nan 8.240 nan 0.000 0.439 231 L N 4.186 125.489 121.223 0.132 0.000 2.292 231 L HA 0.652 4.992 4.340 -0.000 0.000 0.284 231 L C 0.918 177.844 176.870 0.092 0.000 1.065 231 L CA -0.043 54.853 54.840 0.093 0.000 0.806 231 L CB 1.061 43.187 42.059 0.111 0.000 1.175 231 L HN 0.901 nan 8.230 nan 0.000 0.431 232 T N -0.539 114.059 114.554 0.074 0.000 2.901 232 T HA 0.929 5.279 4.350 -0.000 0.000 0.293 232 T C 0.082 174.819 174.700 0.062 0.000 1.084 232 T CA -0.112 62.027 62.100 0.065 0.000 1.008 232 T CB 2.025 70.925 68.868 0.053 0.000 1.170 232 T HN 1.136 nan 8.240 nan 0.000 0.509 233 G N -0.229 108.604 108.800 0.056 0.000 2.464 233 G HA2 0.007 3.966 3.960 -0.000 0.000 0.216 233 G HA3 0.007 3.966 3.960 -0.000 0.000 0.216 233 G C -0.549 174.381 174.900 0.050 0.000 1.186 233 G CA -0.321 44.811 45.100 0.053 0.000 1.010 233 G HN 1.363 nan 8.290 nan 0.000 0.585 234 c N -0.802 117.825 118.600 0.045 0.000 2.634 234 c HA 0.840 5.410 4.570 -0.000 0.000 0.313 234 c C -0.339 173.767 174.090 0.028 0.000 1.198 234 c CA -0.337 56.014 56.329 0.037 0.000 1.605 234 c CB 1.024 43.555 42.510 0.034 0.000 2.196 234 c HN 1.076 nan 8.230 nan 0.000 0.486 235 L N 4.102 125.338 121.223 0.022 0.000 2.441 235 L HA 0.595 4.935 4.340 -0.000 0.000 0.270 235 L C -2.760 174.112 176.870 0.003 0.000 0.973 235 L CA -1.510 53.334 54.840 0.006 0.000 0.842 235 L CB 1.658 43.717 42.059 -0.001 0.000 1.239 235 L HN 0.404 nan 8.230 nan 0.000 0.406 236 P HA 0.125 nan 4.420 nan 0.000 0.271 236 P C -1.053 176.242 177.300 -0.009 0.000 1.216 236 P CA -0.132 62.965 63.100 -0.006 0.000 0.776 236 P CB 0.437 32.129 31.700 -0.013 0.000 0.881 237 Q N 2.574 122.374 119.800 0.000 0.000 2.283 237 Q HA 0.016 4.355 4.340 -0.000 0.000 0.301 237 Q C 0.447 176.441 176.000 -0.010 0.000 1.063 237 Q CA 0.913 56.717 55.803 0.002 0.000 0.952 237 Q CB 0.262 29.009 28.738 0.015 0.000 1.166 237 Q HN 0.452 nan 8.270 nan 0.000 0.381 238 R N -0.431 120.059 120.500 -0.018 0.000 2.808 238 R HA 0.412 4.752 4.340 -0.000 0.000 0.272 238 R C 0.316 176.604 176.300 -0.021 0.000 0.995 238 R CA -0.534 55.548 56.100 -0.031 0.000 0.917 238 R CB 0.844 31.109 30.300 -0.059 0.000 1.217 238 R HN 0.584 nan 8.270 nan 0.000 0.471 239 S N -0.477 115.210 115.700 -0.021 0.000 2.458 239 S HA 0.060 4.530 4.470 -0.000 0.000 0.223 239 S C 0.185 174.776 174.600 -0.015 0.000 1.019 239 S CA 0.098 58.296 58.200 -0.003 0.000 0.937 239 S CB -0.043 63.156 63.200 -0.002 0.000 0.788 239 S HN 0.594 nan 8.310 nan 0.000 0.511 240 E N 2.651 122.816 120.200 -0.057 0.000 2.195 240 E HA 0.448 4.798 4.350 -0.000 0.000 0.271 240 E C -2.846 173.628 176.600 -0.210 0.000 0.923 240 E CA -2.748 53.590 56.400 -0.103 0.000 0.790 240 E CB 1.301 30.948 29.700 -0.089 0.000 1.155 240 E HN 0.212 nan 8.360 nan 0.000 0.402 241 P HA 0.039 nan 4.420 nan 0.000 0.269 241 P C -0.225 176.844 177.300 -0.385 0.000 1.209 241 P CA -0.494 62.217 63.100 -0.649 0.000 0.776 241 P CB 0.647 31.552 31.700 -1.325 0.000 0.876 242 L N 5.634 126.664 121.223 -0.322 0.000 2.315 242 L HA 0.368 4.708 4.340 -0.000 0.000 0.283 242 L C -2.237 174.504 176.870 -0.215 0.000 1.089 242 L CA -2.127 52.585 54.840 -0.213 0.000 0.833 242 L CB 0.311 42.276 42.059 -0.157 0.000 1.170 242 L HN 0.236 nan 8.230 nan 0.000 0.442 243 P HA 0.272 nan 4.420 nan 0.000 0.281 243 P C -1.321 175.834 177.300 -0.243 0.000 1.252 243 P CA -0.156 62.827 63.100 -0.195 0.000 0.778 243 P CB 1.091 32.695 31.700 -0.161 0.000 0.895 244 L N 2.178 123.202 121.223 -0.331 0.000 2.388 244 L HA 0.816 5.156 4.340 -0.000 0.000 0.264 244 L C -0.160 176.222 176.870 -0.812 0.000 0.998 244 L CA -0.987 53.507 54.840 -0.577 0.000 0.817 244 L CB 2.363 44.052 42.059 -0.616 0.000 1.338 244 L HN 0.342 nan 8.230 nan 0.000 0.414 245 A N 1.938 124.158 122.820 -1.002 0.000 2.393 245 A HA 0.905 5.225 4.320 -0.000 0.000 0.306 245 A C -1.490 175.349 177.584 -1.242 0.000 1.050 245 A CA -0.285 51.166 52.037 -0.976 0.000 0.724 245 A CB 0.991 19.672 19.000 -0.531 0.000 1.248 245 A HN 0.431 nan 8.150 nan 0.000 0.424 246 F N 0.628 120.010 119.950 -0.947 0.000 2.593 246 F HA 0.732 5.259 4.527 -0.000 0.000 0.320 246 F C 0.638 175.995 175.800 -0.739 0.000 1.060 246 F CA -0.829 56.642 58.000 -0.881 0.000 0.940 246 F CB 2.136 40.477 39.000 -1.099 0.000 1.268 246 F HN 0.705 nan 8.300 nan 0.000 0.475 247 A N 1.313 124.070 122.820 -0.104 0.000 2.328 247 A HA 0.611 4.931 4.320 -0.000 0.000 0.284 247 A C -0.627 177.090 177.584 0.221 0.000 1.160 247 A CA -0.598 51.433 52.037 -0.010 0.000 0.818 247 A CB 0.242 19.222 19.000 -0.034 0.000 1.087 247 A HN 0.563 nan 8.150 nan 0.000 0.504 248 V N 3.865 123.868 119.914 0.149 0.000 2.529 248 V HA -0.011 4.109 4.120 -0.000 0.000 0.292 248 V C 1.000 177.165 176.094 0.117 0.000 1.028 248 V CA 0.219 62.596 62.300 0.127 0.000 1.074 248 V CB 0.770 32.379 31.823 -0.356 0.000 0.958 248 V HN 1.023 nan 8.190 nan 0.000 0.481 249 Q N 2.115 122.002 119.800 0.146 0.000 2.302 249 Q HA 0.053 4.393 4.340 -0.000 0.000 0.202 249 Q C 0.654 176.689 176.000 0.059 0.000 0.936 249 Q CA 0.586 56.435 55.803 0.077 0.000 0.886 249 Q CB 0.134 28.875 28.738 0.006 0.000 0.986 249 Q HN 0.823 nan 8.270 nan 0.000 0.487 250 D N 0.006 120.435 120.400 0.049 0.000 2.434 250 D HA 0.226 4.866 4.640 -0.000 0.000 0.275 250 D C 1.013 177.352 176.300 0.065 0.000 1.172 250 D CA -0.306 53.726 54.000 0.054 0.000 0.916 250 D CB 0.455 41.282 40.800 0.045 0.000 1.041 250 D HN 0.112 nan 8.370 nan 0.000 0.501 251 G N 2.061 110.890 108.800 0.048 0.000 2.469 251 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 251 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 251 G C 1.443 176.337 174.900 -0.010 0.000 1.150 251 G CA 1.104 46.226 45.100 0.037 0.000 0.763 251 G HN 0.546 nan 8.290 nan 0.000 0.561 252 A N 0.506 123.299 122.820 -0.045 0.000 1.902 252 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 252 A C 2.720 180.276 177.584 -0.048 0.000 1.181 252 A CA 2.313 54.286 52.037 -0.107 0.000 0.623 252 A CB -0.626 18.341 19.000 -0.056 0.000 0.818 252 A HN 0.326 nan 8.150 nan 0.000 0.443 253 S N -2.026 113.689 115.700 0.026 0.000 2.383 253 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 253 S C 1.826 176.479 174.600 0.089 0.000 1.026 253 S CA 1.319 59.551 58.200 0.053 0.000 0.981 253 S CB -0.480 62.761 63.200 0.068 0.000 0.818 253 S HN 0.679 nan 8.310 nan 0.000 0.472 254 Y N 2.241 122.528 120.300 -0.022 0.000 2.163 254 Y HA -0.038 4.512 4.550 -0.000 0.000 0.288 254 Y C 2.415 178.313 175.900 -0.003 0.000 1.136 254 Y CA 1.046 59.146 58.100 -0.000 0.000 1.147 254 Y CB -0.761 37.710 38.460 0.018 0.000 0.987 254 Y HN 0.208 nan 8.280 nan 0.000 0.509 255 A N -0.000 122.837 122.820 0.030 0.000 1.930 255 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 255 A C 2.468 180.035 177.584 -0.028 0.000 1.175 255 A CA 1.593 53.585 52.037 -0.075 0.000 0.627 255 A CB -1.689 17.072 19.000 -0.398 0.000 0.815 255 A HN 0.590 nan 8.150 nan 0.000 0.443 256 G N -0.297 108.479 108.800 -0.041 0.000 2.446 256 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 256 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 256 G C 1.760 176.661 174.900 0.002 0.000 1.168 256 G CA 1.583 46.680 45.100 -0.004 0.000 0.771 256 G HN 0.811 nan 8.290 nan 0.000 0.551 257 A N 0.611 123.428 122.820 -0.005 0.000 1.902 257 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 257 A C 2.418 180.012 177.584 0.018 0.000 1.181 257 A CA 1.319 53.362 52.037 0.009 0.000 0.623 257 A CB -0.343 18.644 19.000 -0.022 0.000 0.818 257 A HN 0.389 nan 8.150 nan 0.000 0.443 258 I N -0.854 119.686 120.570 -0.050 0.000 2.226 258 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 258 I C 2.423 178.600 176.117 0.099 0.000 1.100 258 I CA 1.199 62.506 61.300 0.012 0.000 1.374 258 I CB -0.261 37.704 38.000 -0.058 0.000 1.057 258 I HN 0.407 nan 8.210 nan 0.000 0.413 259 L N 1.340 122.603 121.223 0.066 0.000 2.046 259 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 259 L C 2.488 179.353 176.870 -0.009 0.000 1.077 259 L CA 1.947 56.809 54.840 0.036 0.000 0.747 259 L CB -0.714 41.364 42.059 0.030 0.000 0.896 259 L HN 0.134 nan 8.230 nan 0.000 0.432 260 K N -1.676 118.724 120.400 0.000 0.000 2.032 260 K HA -0.299 4.021 4.320 -0.000 0.000 0.209 260 K C 2.324 179.054 176.600 0.218 0.000 1.048 260 K CA 2.048 58.366 56.287 0.052 0.000 0.927 260 K CB -0.622 31.978 32.500 0.167 0.000 0.712 260 K HN 0.446 nan 8.250 nan 0.000 0.441 261 Y N 1.810 122.164 120.300 0.091 0.000 2.145 261 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 261 Y C 1.976 177.923 175.900 0.077 0.000 1.145 261 Y CA 1.867 60.021 58.100 0.089 0.000 1.148 261 Y CB 0.001 38.491 38.460 0.050 0.000 0.981 261 Y HN 0.167 nan 8.280 nan 0.000 0.507 262 E N 0.407 120.619 120.200 0.020 0.000 2.150 262 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 262 E C 2.346 178.903 176.600 -0.072 0.000 0.985 262 E CA 1.168 57.523 56.400 -0.075 0.000 0.814 262 E CB -0.471 29.248 29.700 0.032 0.000 0.752 262 E HN 0.556 nan 8.360 nan 0.000 0.466 263 L N 0.745 121.965 121.223 -0.005 0.000 2.017 263 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 263 L C 2.477 179.420 176.870 0.122 0.000 1.073 263 L CA 1.354 56.231 54.840 0.061 0.000 0.745 263 L CB -0.329 41.756 42.059 0.043 0.000 0.894 263 L HN 0.048 nan 8.230 nan 0.000 0.432 264 K N -0.634 119.853 120.400 0.145 0.000 2.057 264 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 264 K C 2.223 178.768 176.600 -0.091 0.000 1.049 264 K CA 1.035 57.353 56.287 0.053 0.000 0.931 264 K CB -0.095 32.429 32.500 0.040 0.000 0.714 264 K HN 0.257 nan 8.250 nan 0.000 0.440 265 Q N -0.071 119.587 119.800 -0.237 0.000 2.170 265 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 265 Q C 1.852 177.781 176.000 -0.118 0.000 0.976 265 Q CA 1.350 57.005 55.803 -0.247 0.000 0.858 265 Q CB -0.113 28.385 28.738 -0.400 0.000 0.907 265 Q HN 0.306 nan 8.270 nan 0.000 0.433 266 A N -0.479 122.294 122.820 -0.079 0.000 2.238 266 A HA 0.329 4.648 4.320 -0.000 0.000 0.208 266 A C 1.392 178.968 177.584 -0.014 0.000 1.177 266 A CA 0.883 52.897 52.037 -0.037 0.000 0.804 266 A CB -0.257 18.729 19.000 -0.024 0.000 0.823 266 A HN 0.401 nan 8.150 nan 0.000 0.482 267 G N -0.715 108.078 108.800 -0.010 0.000 2.143 267 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.248 267 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.248 267 G C 0.064 174.982 174.900 0.031 0.000 0.991 267 G CA 0.329 45.429 45.100 0.000 0.000 0.689 267 G HN 0.490 nan 8.290 nan 0.000 0.522 268 I N 2.271 122.887 120.570 0.077 0.000 2.352 268 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 268 I C 1.213 177.467 176.117 0.229 0.000 1.036 268 I CA 0.125 61.505 61.300 0.133 0.000 1.336 268 I CB 1.095 39.175 38.000 0.133 0.000 1.407 268 I HN 0.296 nan 8.210 nan 0.000 0.497 269 T N 2.349 116.994 114.554 0.152 0.000 2.944 269 T HA 0.691 5.041 4.350 -0.000 0.000 0.284 269 T C -0.921 173.931 174.700 0.254 0.000 1.010 269 T CA -0.681 61.450 62.100 0.051 0.000 1.025 269 T CB 1.589 70.406 68.868 -0.084 0.000 1.079 269 T HN 0.670 nan 8.240 nan 0.000 0.516 270 W N -0.379 120.920 121.300 -0.001 0.000 3.167 270 W HA 0.605 5.265 4.660 -0.000 0.000 0.324 270 W C 0.460 176.982 176.519 0.006 0.000 1.230 270 W CA -0.450 56.897 57.345 0.003 0.000 1.184 270 W CB 0.820 30.284 29.460 0.007 0.000 1.414 270 W HN 0.693 nan 8.180 nan 0.000 0.551 271 S N 0.553 116.342 115.700 0.149 0.000 2.483 271 S HA 0.356 4.826 4.470 -0.000 0.000 0.221 271 S C 0.938 175.609 174.600 0.119 0.000 1.030 271 S CA 0.534 58.766 58.200 0.054 0.000 0.925 271 S CB -0.303 62.928 63.200 0.052 0.000 0.795 271 S HN 0.850 nan 8.310 nan 0.000 0.511 272 G N 1.588 110.541 108.800 0.254 0.000 2.666 272 G HA2 0.514 4.473 3.960 -0.000 0.000 0.207 272 G HA3 0.514 4.473 3.960 -0.000 0.000 0.207 272 G C -0.060 175.023 174.900 0.306 0.000 1.481 272 G CA 0.254 45.488 45.100 0.223 0.000 1.071 272 G HN 0.637 nan 8.290 nan 0.000 0.572 273 T N -2.923 111.767 114.554 0.227 0.000 2.864 273 T HA 0.597 4.947 4.350 -0.000 0.000 0.289 273 T C -0.449 174.323 174.700 0.120 0.000 1.082 273 T CA -0.905 61.331 62.100 0.227 0.000 1.009 273 T CB 1.437 70.393 68.868 0.146 0.000 1.234 273 T HN 0.220 nan 8.240 nan 0.000 0.526 274 L N 1.897 123.178 121.223 0.096 0.000 2.361 274 L HA 0.450 4.790 4.340 -0.000 0.000 0.278 274 L C -0.471 176.417 176.870 0.030 0.000 1.113 274 L CA -0.152 54.696 54.840 0.013 0.000 0.849 274 L CB 0.187 42.254 42.059 0.013 0.000 1.155 274 L HN 0.632 nan 8.230 nan 0.000 0.452 275 L N 4.272 125.504 121.223 0.015 0.000 2.354 275 L HA 0.537 4.877 4.340 -0.000 0.000 0.264 275 L C 0.061 176.943 176.870 0.020 0.000 1.008 275 L CA -0.888 53.966 54.840 0.024 0.000 0.819 275 L CB 2.326 44.400 42.059 0.026 0.000 1.339 275 L HN 0.518 nan 8.230 nan 0.000 0.420 276 R N 1.414 121.928 120.500 0.023 0.000 2.390 276 R HA 0.292 4.632 4.340 -0.000 0.000 0.291 276 R C -0.607 175.709 176.300 0.027 0.000 1.070 276 R CA -0.460 55.655 56.100 0.024 0.000 1.014 276 R CB 0.902 31.216 30.300 0.023 0.000 1.007 276 R HN 0.494 nan 8.270 nan 0.000 0.466 277 Q N 1.653 121.472 119.800 0.032 0.000 2.381 277 Q HA 0.131 4.471 4.340 -0.000 0.000 0.263 277 Q C 0.001 176.022 176.000 0.035 0.000 1.030 277 Q CA -0.368 55.454 55.803 0.032 0.000 0.772 277 Q CB 1.339 30.096 28.738 0.032 0.000 1.232 277 Q HN 0.813 nan 8.270 nan 0.000 0.476 278 T N 0.145 114.718 114.554 0.032 0.000 3.022 278 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 278 T C 0.379 175.100 174.700 0.035 0.000 1.060 278 T CA -0.085 62.036 62.100 0.034 0.000 1.013 278 T CB 0.411 69.298 68.868 0.031 0.000 0.982 278 T HN 0.381 nan 8.240 nan 0.000 0.508 279 Q N 2.474 122.292 119.800 0.031 0.000 2.230 279 Q HA 0.500 4.840 4.340 -0.000 0.000 0.248 279 Q C 0.170 176.191 176.000 0.035 0.000 0.915 279 Q CA -0.738 55.084 55.803 0.032 0.000 0.900 279 Q CB 1.849 30.603 28.738 0.026 0.000 1.229 279 Q HN 0.413 nan 8.270 nan 0.000 0.439 280 V N 0.630 120.569 119.914 0.041 0.000 2.763 280 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 280 V C -0.139 175.976 176.094 0.036 0.000 1.059 280 V CA -0.398 61.929 62.300 0.045 0.000 1.138 280 V CB -0.185 31.674 31.823 0.059 0.000 0.940 280 V HN 0.963 nan 8.190 nan 0.000 0.489 281 N N 0.911 119.631 118.700 0.034 0.000 2.598 281 N HA 0.368 5.108 4.740 -0.000 0.000 0.263 281 N C -1.276 174.248 175.510 0.024 0.000 1.254 281 N CA -0.932 52.133 53.050 0.026 0.000 0.863 281 N CB 1.424 39.924 38.487 0.021 0.000 1.586 281 N HN 0.622 nan 8.380 nan 0.000 0.491 282 E N 1.228 121.439 120.200 0.019 0.000 2.344 282 E HA 0.220 4.570 4.350 -0.000 0.000 0.270 282 E C -2.039 174.567 176.600 0.010 0.000 1.021 282 E CA -1.317 55.093 56.400 0.015 0.000 0.887 282 E CB 0.381 30.088 29.700 0.013 0.000 0.997 282 E HN 0.502 nan 8.360 nan 0.000 0.429 283 P HA 0.056 nan 4.420 nan 0.000 0.271 283 P C 0.277 177.576 177.300 -0.003 0.000 1.218 283 P CA -0.167 62.933 63.100 0.000 0.000 0.780 283 P CB 0.786 32.485 31.700 -0.002 0.000 0.901 284 G N 1.497 110.292 108.800 -0.008 0.000 2.516 284 G HA2 0.221 4.181 3.960 -0.000 0.000 0.276 284 G HA3 0.221 4.181 3.960 -0.000 0.000 0.276 284 G C -0.490 174.402 174.900 -0.013 0.000 1.390 284 G CA -0.337 44.758 45.100 -0.009 0.000 1.050 284 G HN 0.438 nan 8.290 nan 0.000 0.519 285 T N 0.346 114.891 114.554 -0.014 0.000 2.814 285 T HA 0.291 4.641 4.350 -0.000 0.000 0.297 285 T C 0.360 175.046 174.700 -0.023 0.000 0.956 285 T CA -0.189 61.902 62.100 -0.016 0.000 1.123 285 T CB 1.070 69.930 68.868 -0.013 0.000 0.902 285 T HN 0.242 nan 8.240 nan 0.000 0.528 286 V N 5.769 125.668 119.914 -0.027 0.000 2.439 286 V HA 0.071 4.191 4.120 -0.000 0.000 0.271 286 V C 1.396 177.470 176.094 -0.034 0.000 1.040 286 V CA 0.093 62.371 62.300 -0.036 0.000 1.002 286 V CB 0.710 32.510 31.823 -0.038 0.000 1.000 286 V HN 0.890 nan 8.190 nan 0.000 0.477 287 V N 2.130 122.021 119.914 -0.038 0.000 3.523 287 V HA 0.736 4.856 4.120 -0.000 0.000 0.255 287 V C 0.632 176.703 176.094 -0.039 0.000 1.226 287 V CA 0.725 63.005 62.300 -0.034 0.000 1.092 287 V CB 0.171 31.976 31.823 -0.030 0.000 0.817 287 V HN 0.876 nan 8.190 nan 0.000 0.458 288 A N 0.390 123.180 122.820 -0.051 0.000 2.594 288 A HA 0.881 5.201 4.320 -0.000 0.000 0.295 288 A C -0.462 177.080 177.584 -0.070 0.000 1.071 288 A CA 0.232 52.236 52.037 -0.055 0.000 0.685 288 A CB 1.693 20.659 19.000 -0.057 0.000 1.285 288 A HN 1.258 nan 8.150 nan 0.000 0.405 289 S N 0.377 116.038 115.700 -0.065 0.000 2.570 289 S HA 0.859 5.328 4.470 -0.000 0.000 0.270 289 S C -1.141 173.420 174.600 -0.064 0.000 1.149 289 S CA -0.757 57.399 58.200 -0.074 0.000 0.837 289 S CB 1.989 65.150 63.200 -0.065 0.000 1.124 289 S HN 1.229 nan 8.310 nan 0.000 0.465 290 K N 0.778 121.137 120.400 -0.068 0.000 2.535 290 K HA 0.462 4.782 4.320 -0.000 0.000 0.250 290 K C -1.516 175.060 176.600 -0.040 0.000 0.948 290 K CA -0.141 56.118 56.287 -0.047 0.000 0.796 290 K CB 1.900 34.375 32.500 -0.042 0.000 1.216 290 K HN 0.781 nan 8.250 nan 0.000 0.432 291 Q N 1.789 121.571 119.800 -0.030 0.000 2.309 291 Q HA 0.399 4.739 4.340 -0.000 0.000 0.264 291 Q C -0.368 175.637 176.000 0.008 0.000 1.008 291 Q CA -1.013 54.773 55.803 -0.028 0.000 0.853 291 Q CB 1.947 30.649 28.738 -0.061 0.000 1.314 291 Q HN 0.892 nan 8.270 nan 0.000 0.448 292 S N 0.763 116.495 115.700 0.052 0.000 2.606 292 S HA 0.480 4.950 4.470 -0.000 0.000 0.257 292 S C 0.371 175.012 174.600 0.068 0.000 1.327 292 S CA -0.553 57.704 58.200 0.094 0.000 0.984 292 S CB 0.619 63.953 63.200 0.224 0.000 0.941 292 S HN 0.704 nan 8.310 nan 0.000 0.576 293 A N 1.296 124.166 122.820 0.084 0.000 2.475 293 A HA 0.462 4.782 4.320 -0.000 0.000 0.239 293 A C -2.285 175.358 177.584 0.097 0.000 1.087 293 A CA -1.028 51.056 52.037 0.077 0.000 0.779 293 A CB -1.268 17.782 19.000 0.082 0.000 1.036 293 A HN 0.712 nan 8.150 nan 0.000 0.506 294 P HA 0.045 nan 4.420 nan 0.000 0.268 294 P C 0.975 178.372 177.300 0.161 0.000 1.208 294 P CA -0.390 62.769 63.100 0.098 0.000 0.777 294 P CB 0.376 32.130 31.700 0.090 0.000 0.875 295 L N 2.715 124.057 121.223 0.198 0.000 2.043 295 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 295 L C 2.228 179.201 176.870 0.171 0.000 1.075 295 L CA 2.003 56.984 54.840 0.235 0.000 0.752 295 L CB -1.342 40.873 42.059 0.259 0.000 0.891 295 L HN 0.506 nan 8.230 nan 0.000 0.432 296 H N -0.524 118.598 119.070 0.088 0.000 2.387 296 H HA -0.162 4.394 4.556 -0.000 0.000 0.299 296 H C 1.636 176.986 175.328 0.038 0.000 1.099 296 H CA 1.986 58.063 56.048 0.048 0.000 1.315 296 H CB 0.117 29.901 29.762 0.038 0.000 1.380 296 H HN 0.427 nan 8.280 nan 0.000 0.513 297 D N 0.434 120.943 120.400 0.183 0.000 2.117 297 D HA -0.113 4.526 4.640 -0.000 0.000 0.197 297 D C 2.644 178.987 176.300 0.072 0.000 0.987 297 D CA 0.648 54.722 54.000 0.124 0.000 0.829 297 D CB -0.341 40.527 40.800 0.113 0.000 0.961 297 D HN 0.365 nan 8.370 nan 0.000 0.460 298 L N 0.151 121.435 121.223 0.101 0.000 2.056 298 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 298 L C 2.504 179.408 176.870 0.057 0.000 1.078 298 L CA 0.609 55.514 54.840 0.109 0.000 0.749 298 L CB -0.410 41.775 42.059 0.211 0.000 0.901 298 L HN 0.042 nan 8.230 nan 0.000 0.433 299 L N -0.064 121.164 121.223 0.008 0.000 2.127 299 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 299 L C 2.673 179.452 176.870 -0.152 0.000 1.089 299 L CA 1.270 56.060 54.840 -0.083 0.000 0.757 299 L CB -0.521 41.432 42.059 -0.177 0.000 0.899 299 L HN 0.269 nan 8.230 nan 0.000 0.434 300 K N 0.999 121.300 120.400 -0.165 0.000 2.002 300 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 300 K C 2.106 178.675 176.600 -0.052 0.000 1.048 300 K CA 1.483 57.694 56.287 -0.126 0.000 0.930 300 K CB -0.119 32.345 32.500 -0.060 0.000 0.714 300 K HN 0.153 nan 8.250 nan 0.000 0.438 301 I N 1.049 121.612 120.570 -0.012 0.000 2.151 301 I HA -0.353 3.816 4.170 -0.000 0.000 0.243 301 I C 2.695 178.815 176.117 0.006 0.000 1.080 301 I CA 1.502 62.807 61.300 0.009 0.000 1.339 301 I CB -0.270 37.747 38.000 0.029 0.000 1.039 301 I HN 0.408 nan 8.210 nan 0.000 0.409 302 M N 0.612 120.216 119.600 0.007 0.000 2.080 302 M HA -0.251 4.229 4.480 -0.000 0.000 0.260 302 M C 2.280 178.582 176.300 0.003 0.000 1.068 302 M CA 2.042 57.353 55.300 0.018 0.000 1.109 302 M CB -0.051 32.571 32.600 0.037 0.000 1.342 302 M HN 0.210 nan 8.290 nan 0.000 0.405 303 L N -0.325 120.879 121.223 -0.032 0.000 2.131 303 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 303 L C 2.551 179.415 176.870 -0.009 0.000 1.087 303 L CA 0.630 55.452 54.840 -0.031 0.000 0.767 303 L CB -0.596 41.402 42.059 -0.102 0.000 0.917 303 L HN 0.193 nan 8.230 nan 0.000 0.441 304 K N 0.269 120.661 120.400 -0.013 0.000 2.057 304 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 304 K C 1.798 178.404 176.600 0.011 0.000 1.050 304 K CA 1.144 57.433 56.287 0.002 0.000 0.935 304 K CB 0.006 32.508 32.500 0.003 0.000 0.715 304 K HN 0.177 nan 8.250 nan 0.000 0.439 305 K N -0.182 120.224 120.400 0.011 0.000 2.360 305 K HA 0.087 4.407 4.320 -0.000 0.000 0.196 305 K C 0.207 176.813 176.600 0.010 0.000 1.049 305 K CA -0.021 56.274 56.287 0.014 0.000 1.049 305 K CB 0.670 33.180 32.500 0.017 0.000 0.881 305 K HN -0.031 nan 8.250 nan 0.000 0.542 306 S N 2.509 118.215 115.700 0.011 0.000 3.886 306 S HA -0.135 4.335 4.470 -0.000 0.000 0.398 306 S C -0.559 174.049 174.600 0.013 0.000 0.931 306 S CA 0.262 58.468 58.200 0.010 0.000 1.217 306 S CB -1.183 62.014 63.200 -0.005 0.000 0.874 306 S HN 0.389 nan 8.310 nan 0.000 0.521 307 D N 1.382 121.798 120.400 0.027 0.000 2.352 307 D HA 0.235 4.875 4.640 -0.000 0.000 0.245 307 D C 1.316 177.647 176.300 0.052 0.000 1.224 307 D CA -0.394 53.628 54.000 0.036 0.000 0.879 307 D CB 0.317 41.142 40.800 0.042 0.000 1.057 307 D HN 0.415 nan 8.370 nan 0.000 0.491 308 N N 3.570 122.296 118.700 0.044 0.000 2.166 308 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 308 N C 1.572 177.145 175.510 0.105 0.000 1.019 308 N CA 0.719 53.802 53.050 0.055 0.000 0.856 308 N CB -0.157 38.335 38.487 0.008 0.000 0.993 308 N HN 0.560 nan 8.380 nan 0.000 0.426 309 M N 0.297 119.952 119.600 0.092 0.000 2.156 309 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 309 M C 1.745 178.119 176.300 0.123 0.000 1.067 309 M CA 1.163 56.533 55.300 0.117 0.000 1.131 309 M CB 0.069 32.715 32.600 0.077 0.000 1.368 309 M HN -0.011 nan 8.290 nan 0.000 0.416 310 I N 0.225 120.853 120.570 0.096 0.000 2.226 310 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 310 I C 2.615 178.842 176.117 0.183 0.000 1.100 310 I CA 1.150 62.516 61.300 0.111 0.000 1.374 310 I CB -0.702 37.357 38.000 0.098 0.000 1.057 310 I HN 0.363 nan 8.210 nan 0.000 0.413 311 A N 0.483 123.406 122.820 0.172 0.000 1.883 311 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 311 A C 1.976 179.731 177.584 0.285 0.000 1.186 311 A CA 2.162 54.321 52.037 0.204 0.000 0.624 311 A CB -0.523 18.572 19.000 0.157 0.000 0.822 311 A HN 0.356 nan 8.150 nan 0.000 0.444 312 D N -0.928 119.656 120.400 0.307 0.000 2.249 312 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 312 D C 2.289 178.792 176.300 0.339 0.000 0.962 312 D CA 1.742 55.992 54.000 0.416 0.000 0.860 312 D CB -0.380 40.785 40.800 0.609 0.000 0.955 312 D HN 0.633 nan 8.370 nan 0.000 0.505 313 T N -1.119 113.622 114.554 0.313 0.000 2.777 313 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 313 T C 2.247 177.244 174.700 0.495 0.000 1.040 313 T CA 0.676 62.999 62.100 0.371 0.000 1.141 313 T CB -0.710 68.269 68.868 0.184 0.000 0.868 313 T HN -0.084 nan 8.240 nan 0.000 0.444 314 V N 1.026 121.223 119.914 0.471 0.000 2.287 314 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 314 V C 2.189 178.424 176.094 0.235 0.000 1.053 314 V CA 1.965 64.497 62.300 0.386 0.000 1.027 314 V CB -0.995 31.015 31.823 0.312 0.000 0.646 314 V HN 0.475 nan 8.190 nan 0.000 0.447 315 F N 1.105 121.117 119.950 0.104 0.000 2.095 315 F HA -0.193 4.333 4.527 -0.000 0.000 0.298 315 F C 2.617 178.356 175.800 -0.101 0.000 1.104 315 F CA 1.876 59.895 58.000 0.033 0.000 1.232 315 F CB -0.238 38.830 39.000 0.113 0.000 0.987 315 F HN -0.053 nan 8.300 nan 0.000 0.475 316 R N -0.756 119.659 120.500 -0.142 0.000 2.148 316 R HA -0.131 4.209 4.340 -0.000 0.000 0.223 316 R C 2.076 178.243 176.300 -0.222 0.000 1.088 316 R CA 1.284 57.065 56.100 -0.532 0.000 0.985 316 R CB -0.417 29.115 30.300 -1.279 0.000 0.880 316 R HN 0.340 nan 8.270 nan 0.000 0.451 317 M N 0.880 120.540 119.600 0.098 0.000 2.175 317 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 317 M C 1.793 178.056 176.300 -0.061 0.000 1.063 317 M CA 1.547 56.951 55.300 0.174 0.000 1.119 317 M CB -0.078 32.605 32.600 0.137 0.000 1.377 317 M HN 0.035 nan 8.290 nan 0.000 0.415 318 I N -0.666 119.794 120.570 -0.184 0.000 2.163 318 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 318 I C 2.344 178.279 176.117 -0.303 0.000 1.085 318 I CA 1.546 62.683 61.300 -0.272 0.000 1.347 318 I CB -1.192 36.633 38.000 -0.292 0.000 1.044 318 I HN 0.480 nan 8.210 nan 0.000 0.408 319 G N -0.513 108.107 108.800 -0.299 0.000 2.402 319 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.216 319 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.216 319 G C 1.480 176.330 174.900 -0.084 0.000 1.162 319 G CA 1.180 46.146 45.100 -0.223 0.000 0.777 319 G HN 0.444 nan 8.290 nan 0.000 0.539 320 H N 1.281 120.297 119.070 -0.088 0.000 2.319 320 H HA 0.075 4.631 4.556 -0.000 0.000 0.299 320 H C 2.604 177.908 175.328 -0.039 0.000 1.092 320 H CA 2.146 58.199 56.048 0.008 0.000 1.302 320 H CB -0.351 29.477 29.762 0.111 0.000 1.373 320 H HN 0.267 nan 8.280 nan 0.000 0.497 321 A N 0.403 123.081 122.820 -0.237 0.000 1.930 321 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 321 A C 2.487 179.883 177.584 -0.313 0.000 1.175 321 A CA 1.491 53.347 52.037 -0.302 0.000 0.627 321 A CB -0.574 18.289 19.000 -0.228 0.000 0.815 321 A HN 0.501 nan 8.150 nan 0.000 0.443 322 R N -2.063 118.188 120.500 -0.415 0.000 2.093 322 R HA 0.013 4.353 4.340 -0.000 0.000 0.224 322 R C 0.704 176.707 176.300 -0.496 0.000 1.101 322 R CA 1.298 57.053 56.100 -0.575 0.000 0.979 322 R CB -0.106 29.629 30.300 -0.942 0.000 0.877 322 R HN 0.463 nan 8.270 nan 0.000 0.441 323 F N 0.765 120.646 119.950 -0.115 0.000 2.678 323 F HA 0.296 4.823 4.527 -0.000 0.000 0.305 323 F C 0.057 175.801 175.800 -0.094 0.000 1.090 323 F CA -0.737 57.211 58.000 -0.087 0.000 1.272 323 F CB 0.115 39.075 39.000 -0.067 0.000 1.060 323 F HN -0.050 nan 8.300 nan 0.000 0.576 324 N N 1.364 120.044 118.700 -0.034 0.000 2.705 324 N HA -0.152 4.588 4.740 -0.000 0.000 0.255 324 N C -0.643 174.879 175.510 0.020 0.000 1.008 324 N CA 1.041 54.033 53.050 -0.096 0.000 0.742 324 N CB -1.585 36.868 38.487 -0.057 0.000 0.906 324 N HN 0.289 nan 8.380 nan 0.000 0.541 325 V N -4.388 115.581 119.914 0.091 0.000 3.078 325 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 325 V C -2.531 173.750 176.094 0.311 0.000 1.138 325 V CA -2.399 59.997 62.300 0.161 0.000 1.007 325 V CB 2.344 34.241 31.823 0.123 0.000 1.045 325 V HN -0.211 nan 8.190 nan 0.000 0.432 326 P HA 0.200 nan 4.420 nan 0.000 0.262 326 P C 0.403 177.818 177.300 0.191 0.000 1.182 326 P CA 0.850 64.086 63.100 0.228 0.000 0.761 326 P CB 0.237 32.017 31.700 0.132 0.000 0.795 327 G N 2.548 111.479 108.800 0.218 0.000 2.365 327 G HA2 0.438 4.398 3.960 -0.000 0.000 0.249 327 G HA3 0.438 4.398 3.960 -0.000 0.000 0.249 327 G C -0.036 174.672 174.900 -0.321 0.000 1.288 327 G CA -0.006 45.066 45.100 -0.047 0.000 0.887 327 G HN 0.562 nan 8.290 nan 0.000 0.524 328 T N -0.896 113.481 114.554 -0.295 0.000 2.887 328 T HA 0.350 4.700 4.350 -0.000 0.000 0.292 328 T C 0.717 175.221 174.700 -0.327 0.000 1.087 328 T CA -0.960 60.946 62.100 -0.323 0.000 1.009 328 T CB 1.179 69.999 68.868 -0.081 0.000 1.203 328 T HN 0.501 nan 8.240 nan 0.000 0.518 329 W N 0.228 121.520 121.300 -0.014 0.000 2.358 329 W HA 0.087 4.747 4.660 -0.000 0.000 0.303 329 W C 2.960 179.569 176.519 0.150 0.000 1.208 329 W CA 0.839 58.257 57.345 0.121 0.000 1.274 329 W CB -0.198 29.274 29.460 0.020 0.000 1.138 329 W HN 0.695 nan 8.180 nan 0.000 0.515 330 R N 0.692 121.347 120.500 0.259 0.000 2.075 330 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 330 R C 2.260 178.627 176.300 0.113 0.000 1.126 330 R CA 1.753 57.956 56.100 0.172 0.000 0.963 330 R CB -0.584 29.780 30.300 0.106 0.000 0.858 330 R HN 0.106 nan 8.270 nan 0.000 0.435 331 A N 0.072 122.932 122.820 0.066 0.000 1.933 331 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 331 A C 2.320 179.940 177.584 0.061 0.000 1.175 331 A CA 1.588 53.697 52.037 0.120 0.000 0.628 331 A CB -1.179 17.904 19.000 0.137 0.000 0.814 331 A HN 0.576 nan 8.150 nan 0.000 0.444 332 G N -0.596 108.088 108.800 -0.194 0.000 2.421 332 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 332 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 332 G C 1.836 176.415 174.900 -0.535 0.000 1.171 332 G CA 1.325 45.995 45.100 -0.715 0.000 0.775 332 G HN 0.481 nan 8.290 nan 0.000 0.543 333 S N 0.882 116.593 115.700 0.018 0.000 2.359 333 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 333 S C 2.047 176.731 174.600 0.141 0.000 1.035 333 S CA 1.507 59.866 58.200 0.265 0.000 1.018 333 S CB -0.318 63.079 63.200 0.329 0.000 0.876 333 S HN 0.355 nan 8.310 nan 0.000 0.448 334 D N 1.559 122.045 120.400 0.143 0.000 2.117 334 D HA 0.000 4.640 4.640 -0.000 0.000 0.197 334 D C 2.151 178.589 176.300 0.229 0.000 0.987 334 D CA 1.274 55.383 54.000 0.182 0.000 0.829 334 D CB -0.515 40.385 40.800 0.167 0.000 0.961 334 D HN 0.375 nan 8.370 nan 0.000 0.460 335 A N 0.431 123.360 122.820 0.182 0.000 1.877 335 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 335 A C 2.524 180.043 177.584 -0.108 0.000 1.186 335 A CA 1.265 53.235 52.037 -0.111 0.000 0.620 335 A CB -0.795 17.962 19.000 -0.406 0.000 0.822 335 A HN 0.141 nan 8.150 nan 0.000 0.443 336 V N 0.243 120.104 119.914 -0.089 0.000 2.295 336 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 336 V C 2.667 178.766 176.094 0.009 0.000 1.049 336 V CA 2.327 64.608 62.300 -0.031 0.000 1.024 336 V CB -0.839 31.024 31.823 0.067 0.000 0.648 336 V HN 0.697 nan 8.190 nan 0.000 0.447 337 R N -0.275 120.253 120.500 0.047 0.000 2.096 337 R HA -0.240 4.100 4.340 -0.000 0.000 0.240 337 R C 2.377 178.689 176.300 0.019 0.000 1.139 337 R CA 2.144 58.270 56.100 0.045 0.000 0.952 337 R CB -0.268 30.073 30.300 0.067 0.000 0.854 337 R HN 0.584 nan 8.270 nan 0.000 0.436 338 Q N 0.044 119.861 119.800 0.029 0.000 2.050 338 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 338 Q C 2.289 178.268 176.000 -0.036 0.000 0.980 338 Q CA 1.812 57.626 55.803 0.017 0.000 0.840 338 Q CB -0.085 28.689 28.738 0.061 0.000 0.898 338 Q HN 0.446 nan 8.270 nan 0.000 0.424 339 I N 0.670 121.198 120.570 -0.070 0.000 2.179 339 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 339 I C 2.218 178.264 176.117 -0.117 0.000 1.088 339 I CA 1.112 62.350 61.300 -0.102 0.000 1.357 339 I CB -0.265 37.664 38.000 -0.117 0.000 1.051 339 I HN 0.190 nan 8.210 nan 0.000 0.409 340 L N 0.091 121.254 121.223 -0.100 0.000 2.083 340 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 340 L C 2.735 179.527 176.870 -0.131 0.000 1.083 340 L CA 1.214 55.974 54.840 -0.135 0.000 0.752 340 L CB -0.509 41.503 42.059 -0.079 0.000 0.899 340 L HN 0.222 nan 8.230 nan 0.000 0.433 341 R N 0.162 120.618 120.500 -0.074 0.000 2.062 341 R HA -0.102 4.238 4.340 -0.000 0.000 0.226 341 R C 2.209 178.475 176.300 -0.057 0.000 1.125 341 R CA 1.541 57.611 56.100 -0.051 0.000 0.966 341 R CB -0.209 30.080 30.300 -0.018 0.000 0.861 341 R HN 0.358 nan 8.270 nan 0.000 0.433 342 Q N -0.990 118.776 119.800 -0.057 0.000 2.163 342 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 342 Q C 1.837 177.800 176.000 -0.062 0.000 0.954 342 Q CA 1.101 56.877 55.803 -0.044 0.000 0.851 342 Q CB 0.271 28.991 28.738 -0.031 0.000 0.928 342 Q HN 0.250 nan 8.270 nan 0.000 0.459 343 Q N -0.619 119.118 119.800 -0.105 0.000 2.373 343 Q HA 0.185 4.525 4.340 -0.000 0.000 0.210 343 Q C 1.108 176.968 176.000 -0.233 0.000 0.913 343 Q CA 1.039 56.769 55.803 -0.123 0.000 0.911 343 Q CB 0.620 29.288 28.738 -0.117 0.000 1.040 343 Q HN 0.300 nan 8.270 nan 0.000 0.521 344 A N -1.040 121.550 122.820 -0.383 0.000 2.431 344 A HA 0.529 4.849 4.320 -0.000 0.000 0.239 344 A C 1.288 178.659 177.584 -0.356 0.000 1.230 344 A CA 0.449 51.996 52.037 -0.816 0.000 0.928 344 A CB 0.000 18.286 19.000 -1.190 0.000 1.006 344 A HN 0.299 nan 8.150 nan 0.000 0.520 345 G N -0.793 107.917 108.800 -0.150 0.000 2.153 345 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.252 345 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.252 345 G C 0.057 174.940 174.900 -0.028 0.000 0.994 345 G CA 0.355 45.434 45.100 -0.035 0.000 0.698 345 G HN 0.920 nan 8.290 nan 0.000 0.521 346 V N 0.977 120.848 119.914 -0.071 0.000 2.328 346 V HA 0.436 4.555 4.120 -0.000 0.000 0.278 346 V C -0.069 176.011 176.094 -0.023 0.000 1.021 346 V CA -0.813 61.465 62.300 -0.037 0.000 0.838 346 V CB 1.729 33.519 31.823 -0.055 0.000 0.999 346 V HN 0.333 nan 8.190 nan 0.000 0.447 347 D N 4.708 125.107 120.400 -0.002 0.000 2.365 347 D HA 0.194 4.834 4.640 -0.000 0.000 0.237 347 D C 1.135 177.445 176.300 0.016 0.000 1.190 347 D CA -0.430 53.574 54.000 0.007 0.000 0.867 347 D CB 1.102 41.909 40.800 0.012 0.000 1.050 347 D HN 0.606 nan 8.370 nan 0.000 0.491 348 I N 1.263 121.845 120.570 0.020 0.000 3.564 348 I HA 0.243 4.413 4.170 -0.000 0.000 0.294 348 I C 1.286 177.423 176.117 0.034 0.000 1.289 348 I CA 0.042 61.361 61.300 0.032 0.000 1.325 348 I CB -0.504 37.521 38.000 0.041 0.000 1.039 348 I HN 0.452 nan 8.210 nan 0.000 0.474 349 G N 3.928 112.745 108.800 0.028 0.000 2.629 349 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.313 349 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.313 349 G C 0.592 175.508 174.900 0.027 0.000 1.217 349 G CA 0.799 45.915 45.100 0.026 0.000 0.994 349 G HN 0.716 nan 8.290 nan 0.000 0.549 350 N N 1.327 120.043 118.700 0.026 0.000 2.383 350 N HA 0.127 4.867 4.740 -0.000 0.000 0.192 350 N C 0.755 176.282 175.510 0.030 0.000 1.141 350 N CA 1.300 54.364 53.050 0.024 0.000 0.851 350 N CB -0.544 37.953 38.487 0.016 0.000 0.976 350 N HN 0.613 nan 8.380 nan 0.000 0.465 351 T N 2.089 116.667 114.554 0.040 0.000 2.946 351 T HA 0.066 4.416 4.350 -0.000 0.000 0.311 351 T C 0.326 175.056 174.700 0.051 0.000 1.063 351 T CA 0.187 62.317 62.100 0.050 0.000 1.139 351 T CB 0.640 69.544 68.868 0.061 0.000 0.994 351 T HN 0.113 nan 8.240 nan 0.000 0.547 352 I N 4.133 124.733 120.570 0.051 0.000 2.362 352 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 352 I C 0.060 176.225 176.117 0.079 0.000 0.994 352 I CA -0.466 60.870 61.300 0.059 0.000 1.158 352 I CB 1.257 39.280 38.000 0.038 0.000 1.315 352 I HN 0.546 nan 8.210 nan 0.000 0.451 353 I N 5.279 125.917 120.570 0.112 0.000 2.330 353 I HA 0.363 4.532 4.170 -0.000 0.000 0.289 353 I C 0.887 177.099 176.117 0.158 0.000 1.001 353 I CA -0.111 61.275 61.300 0.144 0.000 1.193 353 I CB 1.906 40.038 38.000 0.219 0.000 1.345 353 I HN 0.694 nan 8.210 nan 0.000 0.461 354 A N 4.477 127.337 122.820 0.067 0.000 2.167 354 A HA 0.218 4.538 4.320 -0.000 0.000 0.208 354 A C 0.193 177.674 177.584 -0.171 0.000 1.198 354 A CA 0.522 52.567 52.037 0.014 0.000 0.863 354 A CB 0.040 19.033 19.000 -0.012 0.000 0.904 354 A HN 0.770 nan 8.150 nan 0.000 0.484 355 D N -4.406 115.761 120.400 -0.389 0.000 2.838 355 D HA 0.414 5.053 4.640 -0.000 0.000 0.334 355 D C 0.810 176.473 176.300 -1.063 0.000 1.315 355 D CA 0.244 53.751 54.000 -0.823 0.000 0.917 355 D CB 0.356 41.005 40.800 -0.252 0.000 1.435 355 D HN -0.056 nan 8.370 nan 0.000 0.517 356 G N -1.109 107.241 108.800 -0.751 0.000 2.545 356 G HA2 0.018 3.978 3.960 -0.000 0.000 0.212 356 G HA3 0.018 3.978 3.960 -0.000 0.000 0.212 356 G C 1.145 176.073 174.900 0.047 0.000 1.144 356 G CA 0.804 45.825 45.100 -0.132 0.000 0.813 356 G HN 0.565 nan 8.290 nan 0.000 0.531 357 S N -0.532 115.210 115.700 0.069 0.000 2.446 357 S HA 0.324 4.794 4.470 -0.000 0.000 0.225 357 S C 1.974 176.587 174.600 0.022 0.000 1.016 357 S CA 1.177 59.419 58.200 0.070 0.000 0.943 357 S CB -0.081 63.164 63.200 0.074 0.000 0.786 357 S HN 1.462 nan 8.310 nan 0.000 0.508 358 G N 1.111 109.917 108.800 0.010 0.000 2.157 358 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 358 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 358 G C 0.569 175.446 174.900 -0.038 0.000 0.979 358 G CA 0.398 45.489 45.100 -0.015 0.000 0.650 358 G HN 0.492 nan 8.290 nan 0.000 0.529 359 L N 0.719 121.917 121.223 -0.042 0.000 2.141 359 L HA 0.090 4.430 4.340 -0.000 0.000 0.209 359 L C 2.104 178.947 176.870 -0.044 0.000 1.094 359 L CA 1.206 55.955 54.840 -0.152 0.000 0.763 359 L CB -0.334 41.431 42.059 -0.490 0.000 0.908 359 L HN 0.404 nan 8.230 nan 0.000 0.437 360 S N -0.040 115.744 115.700 0.141 0.000 2.533 360 S HA 0.038 4.508 4.470 -0.000 0.000 0.282 360 S C 1.214 175.839 174.600 0.041 0.000 1.304 360 S CA -0.642 57.656 58.200 0.163 0.000 1.063 360 S CB 0.559 63.785 63.200 0.044 0.000 0.881 360 S HN 0.152 nan 8.310 nan 0.000 0.493 361 R N 3.194 123.712 120.500 0.030 0.000 2.323 361 R HA 0.068 4.407 4.340 -0.000 0.000 0.198 361 R C 1.226 177.627 176.300 0.168 0.000 0.988 361 R CA 0.751 56.886 56.100 0.059 0.000 1.041 361 R CB -0.902 29.430 30.300 0.054 0.000 0.926 361 R HN 0.780 nan 8.270 nan 0.000 0.476 362 H N -0.189 118.871 119.070 -0.016 0.000 2.512 362 H HA 0.100 4.656 4.556 -0.000 0.000 0.279 362 H C 0.025 175.339 175.328 -0.023 0.000 0.999 362 H CA -0.329 55.705 56.048 -0.025 0.000 1.283 362 H CB 0.262 30.001 29.762 -0.039 0.000 1.421 362 H HN 0.246 nan 8.280 nan 0.000 0.554 363 N N 1.416 120.172 118.700 0.094 0.000 2.407 363 N HA 0.164 4.904 4.740 -0.000 0.000 0.250 363 N C -1.169 174.346 175.510 0.010 0.000 1.236 363 N CA 0.056 53.129 53.050 0.038 0.000 0.879 363 N CB 0.784 39.272 38.487 0.003 0.000 1.088 363 N HN 0.066 nan 8.380 nan 0.000 0.450 364 L N 3.348 124.578 121.223 0.013 0.000 2.614 364 L HA 0.606 4.946 4.340 -0.000 0.000 0.264 364 L C -1.688 175.200 176.870 0.030 0.000 0.940 364 L CA -0.292 54.550 54.840 0.003 0.000 0.903 364 L CB 1.348 43.411 42.059 0.006 0.000 1.306 364 L HN 0.606 nan 8.230 nan 0.000 0.410 365 I N 3.220 123.817 120.570 0.045 0.000 2.787 365 I HA 0.783 4.953 4.170 -0.000 0.000 0.294 365 I C -0.969 175.265 176.117 0.194 0.000 1.365 365 I CA -0.432 60.935 61.300 0.112 0.000 1.029 365 I CB 2.112 40.192 38.000 0.134 0.000 1.313 365 I HN 0.790 nan 8.210 nan 0.000 0.431 366 A N 7.323 130.246 122.820 0.171 0.000 2.316 366 A HA 0.627 4.947 4.320 -0.000 0.000 0.284 366 A C -2.166 175.522 177.584 0.172 0.000 1.115 366 A CA -1.420 50.727 52.037 0.182 0.000 0.812 366 A CB 0.291 19.355 19.000 0.106 0.000 1.064 366 A HN 0.610 nan 8.150 nan 0.000 0.489 367 P HA -0.260 nan 4.420 nan 0.000 0.216 367 P C 1.629 178.908 177.300 -0.035 0.000 1.154 367 P CA 2.627 65.665 63.100 -0.104 0.000 0.865 367 P CB 0.128 31.773 31.700 -0.091 0.000 0.789 368 A N -1.309 121.524 122.820 0.022 0.000 1.978 368 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 368 A C 2.190 179.790 177.584 0.027 0.000 1.170 368 A CA 2.387 54.439 52.037 0.025 0.000 0.636 368 A CB -1.767 17.256 19.000 0.038 0.000 0.810 368 A HN 0.193 nan 8.150 nan 0.000 0.448 369 T N -0.658 113.922 114.554 0.042 0.000 2.770 369 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 369 T C 1.921 176.642 174.700 0.036 0.000 1.039 369 T CA 1.721 63.848 62.100 0.046 0.000 1.142 369 T CB -0.276 68.630 68.868 0.064 0.000 0.868 369 T HN 0.417 nan 8.240 nan 0.000 0.435 370 M N 1.203 120.825 119.600 0.036 0.000 2.202 370 M HA -0.003 4.477 4.480 -0.000 0.000 0.262 370 M C 2.094 178.369 176.300 -0.042 0.000 1.063 370 M CA 1.429 56.732 55.300 0.006 0.000 1.097 370 M CB -0.591 31.999 32.600 -0.016 0.000 1.382 370 M HN 0.173 nan 8.290 nan 0.000 0.413 371 M N 0.100 119.672 119.600 -0.047 0.000 2.159 371 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 371 M C 1.897 178.202 176.300 0.008 0.000 1.063 371 M CA 1.943 57.219 55.300 -0.040 0.000 1.110 371 M CB -0.553 32.036 32.600 -0.017 0.000 1.374 371 M HN 0.460 nan 8.290 nan 0.000 0.411 372 Q N -1.116 118.700 119.800 0.027 0.000 2.096 372 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 372 Q C 2.032 178.078 176.000 0.077 0.000 0.982 372 Q CA 1.926 57.762 55.803 0.055 0.000 0.850 372 Q CB -0.416 28.349 28.738 0.045 0.000 0.901 372 Q HN 0.450 nan 8.270 nan 0.000 0.422 373 V N 1.213 121.151 119.914 0.041 0.000 2.261 373 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 373 V C 2.225 178.355 176.094 0.059 0.000 1.047 373 V CA 1.635 63.956 62.300 0.036 0.000 1.015 373 V CB -0.587 31.238 31.823 0.003 0.000 0.642 373 V HN 0.351 nan 8.190 nan 0.000 0.446 374 L N -0.436 120.796 121.223 0.014 0.000 2.079 374 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 374 L C 2.795 179.802 176.870 0.229 0.000 1.081 374 L CA 1.432 56.302 54.840 0.051 0.000 0.752 374 L CB -0.709 41.219 42.059 -0.219 0.000 0.896 374 L HN 0.364 nan 8.230 nan 0.000 0.433 375 Q N -0.858 119.038 119.800 0.161 0.000 2.119 375 Q HA -0.232 4.108 4.340 -0.000 0.000 0.201 375 Q C 2.092 178.186 176.000 0.157 0.000 0.972 375 Q CA 1.681 57.584 55.803 0.165 0.000 0.847 375 Q CB -0.440 28.371 28.738 0.121 0.000 0.903 375 Q HN 0.523 nan 8.270 nan 0.000 0.433 376 Y N 1.248 121.591 120.300 0.073 0.000 2.145 376 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 376 Y C 2.136 178.098 175.900 0.103 0.000 1.145 376 Y CA 1.417 59.575 58.100 0.096 0.000 1.148 376 Y CB -0.293 38.176 38.460 0.015 0.000 0.981 376 Y HN -0.014 nan 8.280 nan 0.000 0.507 377 I N -0.026 120.627 120.570 0.138 0.000 2.163 377 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 377 I C 2.684 178.745 176.117 -0.094 0.000 1.085 377 I CA 1.360 62.632 61.300 -0.046 0.000 1.347 377 I CB -0.799 37.056 38.000 -0.242 0.000 1.044 377 I HN 0.351 nan 8.210 nan 0.000 0.408 378 A N 0.095 122.873 122.820 -0.071 0.000 1.908 378 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 378 A C 2.284 179.768 177.584 -0.167 0.000 1.181 378 A CA 2.135 54.044 52.037 -0.214 0.000 0.627 378 A CB -0.804 18.112 19.000 -0.139 0.000 0.818 378 A HN 0.527 nan 8.150 nan 0.000 0.445 379 Q N -1.221 118.491 119.800 -0.147 0.000 2.170 379 Q HA -0.208 4.132 4.340 -0.000 0.000 0.203 379 Q C 0.881 176.625 176.000 -0.427 0.000 0.976 379 Q CA 1.931 57.578 55.803 -0.260 0.000 0.858 379 Q CB -0.148 28.436 28.738 -0.256 0.000 0.907 379 Q HN 0.822 nan 8.270 nan 0.000 0.433 380 H N -0.858 118.019 119.070 -0.322 0.000 2.505 380 H HA 0.140 4.696 4.556 -0.000 0.000 0.286 380 H C 0.201 175.453 175.328 -0.128 0.000 1.072 380 H CA 0.174 56.065 56.048 -0.262 0.000 1.141 380 H CB 0.512 30.026 29.762 -0.414 0.000 1.550 380 H HN 0.341 nan 8.280 nan 0.000 0.547 381 D N 0.435 120.804 120.400 -0.053 0.000 2.178 381 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 381 D C 1.362 177.673 176.300 0.020 0.000 0.980 381 D CA 1.219 55.216 54.000 -0.005 0.000 0.842 381 D CB 0.073 40.826 40.800 -0.078 0.000 0.948 381 D HN 0.428 nan 8.370 nan 0.000 0.472 382 N N -0.468 118.219 118.700 -0.021 0.000 2.309 382 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 382 N C 1.394 176.914 175.510 0.017 0.000 1.018 382 N CA 0.662 53.705 53.050 -0.012 0.000 0.876 382 N CB 0.089 38.554 38.487 -0.038 0.000 0.972 382 N HN 0.347 nan 8.380 nan 0.000 0.434 383 E N 0.625 120.850 120.200 0.041 0.000 2.051 383 E HA -0.020 4.330 4.350 -0.000 0.000 0.189 383 E C 1.718 178.381 176.600 0.106 0.000 0.979 383 E CA 0.697 57.141 56.400 0.074 0.000 0.803 383 E CB 0.118 29.886 29.700 0.114 0.000 0.761 383 E HN 0.302 nan 8.360 nan 0.000 0.451 384 L N 0.481 121.796 121.223 0.154 0.000 2.307 384 L HA 0.035 4.375 4.340 -0.000 0.000 0.211 384 L C 0.766 177.806 176.870 0.284 0.000 1.099 384 L CA 0.046 55.031 54.840 0.240 0.000 0.816 384 L CB -0.331 41.918 42.059 0.317 0.000 0.952 384 L HN 0.239 nan 8.230 nan 0.000 0.455 385 N N -0.513 118.312 118.700 0.208 0.000 2.688 385 N HA -0.296 4.443 4.740 -0.000 0.000 0.258 385 N C 0.514 176.233 175.510 0.348 0.000 1.016 385 N CA 0.045 53.220 53.050 0.208 0.000 0.747 385 N CB -0.628 37.907 38.487 0.081 0.000 0.895 385 N HN 0.330 nan 8.380 nan 0.000 0.543 386 F N 0.793 120.824 119.950 0.136 0.000 2.343 386 F HA 0.277 4.804 4.527 -0.000 0.000 0.286 386 F C 2.066 177.912 175.800 0.078 0.000 1.057 386 F CA 0.346 58.413 58.000 0.111 0.000 1.365 386 F CB 0.040 39.105 39.000 0.108 0.000 1.114 386 F HN 0.215 nan 8.300 nan 0.000 0.545 387 I N 0.401 121.185 120.570 0.356 0.000 2.361 387 I HA -0.298 3.872 4.170 -0.000 0.000 0.251 387 I C 2.415 178.613 176.117 0.134 0.000 1.133 387 I CA 1.439 62.881 61.300 0.236 0.000 1.413 387 I CB -0.595 37.399 38.000 -0.011 0.000 1.073 387 I HN 0.255 nan 8.210 nan 0.000 0.424 388 S N 0.651 116.405 115.700 0.090 0.000 2.469 388 S HA -0.134 4.335 4.470 -0.000 0.000 0.238 388 S C 1.841 176.460 174.600 0.031 0.000 0.998 388 S CA 0.929 59.160 58.200 0.051 0.000 0.957 388 S CB -0.369 62.864 63.200 0.054 0.000 0.764 388 S HN 0.452 nan 8.310 nan 0.000 0.514 389 M N 0.566 120.162 119.600 -0.008 0.000 2.514 389 M HA 0.297 4.777 4.480 -0.000 0.000 0.258 389 M C 0.200 176.465 176.300 -0.058 0.000 1.119 389 M CA 0.289 55.534 55.300 -0.093 0.000 1.111 389 M CB -0.263 32.154 32.600 -0.305 0.000 1.390 389 M HN 0.253 nan 8.290 nan 0.000 0.475 390 L N 1.557 122.791 121.223 0.019 0.000 2.439 390 L HA 0.192 4.532 4.340 -0.000 0.000 0.269 390 L C -2.076 174.828 176.870 0.056 0.000 1.179 390 L CA -1.990 52.892 54.840 0.069 0.000 0.828 390 L CB -0.199 41.967 42.059 0.179 0.000 1.106 390 L HN -0.226 nan 8.230 nan 0.000 0.467 391 P HA -0.021 nan 4.420 nan 0.000 0.264 391 P C -0.786 176.550 177.300 0.059 0.000 1.183 391 P CA -0.122 63.005 63.100 0.044 0.000 0.763 391 P CB 0.484 32.208 31.700 0.039 0.000 0.807 392 L N 3.749 125.004 121.223 0.053 0.000 2.265 392 L HA 0.560 4.900 4.340 -0.000 0.000 0.289 392 L C -0.065 176.881 176.870 0.127 0.000 1.033 392 L CA -0.834 54.042 54.840 0.061 0.000 0.814 392 L CB 0.338 42.375 42.059 -0.038 0.000 1.203 392 L HN 0.393 nan 8.230 nan 0.000 0.423 393 A N 4.067 126.955 122.820 0.112 0.000 2.566 393 A HA 0.437 4.756 4.320 -0.000 0.000 0.245 393 A C 1.408 179.082 177.584 0.151 0.000 1.056 393 A CA 0.666 52.756 52.037 0.088 0.000 0.757 393 A CB -0.764 18.262 19.000 0.043 0.000 0.979 393 A HN 1.926 nan 8.150 nan 0.000 0.508 394 G N 1.059 109.870 108.800 0.018 0.000 2.176 394 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.253 394 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.253 394 G C 0.452 175.166 174.900 -0.309 0.000 0.979 394 G CA 1.152 46.181 45.100 -0.119 0.000 0.641 394 G HN 0.867 nan 8.290 nan 0.000 0.530 395 Y N 0.912 121.129 120.300 -0.138 0.000 2.817 395 Y HA 0.399 4.949 4.550 -0.000 0.000 0.257 395 Y C 1.171 176.982 175.900 -0.148 0.000 1.055 395 Y CA 0.820 58.847 58.100 -0.122 0.000 1.319 395 Y CB 0.586 39.009 38.460 -0.062 0.000 1.481 395 Y HN 0.437 nan 8.280 nan 0.000 0.471 396 D N -1.533 118.900 120.400 0.056 0.000 2.643 396 D HA 0.471 5.111 4.640 -0.000 0.000 0.283 396 D C 0.564 176.857 176.300 -0.012 0.000 1.242 396 D CA -0.020 53.980 54.000 0.000 0.000 0.863 396 D CB 1.052 41.875 40.800 0.039 0.000 1.382 396 D HN 0.412 nan 8.370 nan 0.000 0.444 397 G N -0.190 108.608 108.800 -0.004 0.000 2.598 397 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.269 397 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.269 397 G C 0.848 175.752 174.900 0.006 0.000 1.289 397 G CA 0.581 45.685 45.100 0.008 0.000 0.926 397 G HN 0.953 nan 8.290 nan 0.000 0.567 398 S N -0.189 115.523 115.700 0.019 0.000 2.500 398 S HA 0.034 4.504 4.470 -0.000 0.000 0.239 398 S C 1.937 176.552 174.600 0.025 0.000 0.989 398 S CA 1.512 59.729 58.200 0.027 0.000 0.951 398 S CB -0.109 63.108 63.200 0.027 0.000 0.759 398 S HN 0.505 nan 8.310 nan 0.000 0.523 399 L N 0.725 121.952 121.223 0.007 0.000 2.728 399 L HA 0.234 4.573 4.340 -0.000 0.000 0.238 399 L C 2.177 179.009 176.870 -0.064 0.000 1.143 399 L CA 0.026 54.865 54.840 -0.002 0.000 0.937 399 L CB -0.204 41.866 42.059 0.019 0.000 1.225 399 L HN 0.269 nan 8.230 nan 0.000 0.507 400 Q N 0.956 120.663 119.800 -0.154 0.000 2.135 400 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 400 Q C 0.375 176.022 176.000 -0.588 0.000 0.981 400 Q CA 1.925 57.468 55.803 -0.432 0.000 0.856 400 Q CB 0.121 28.467 28.738 -0.653 0.000 0.902 400 Q HN 0.578 nan 8.270 nan 0.000 0.425 401 Y N -0.787 119.491 120.300 -0.037 0.000 2.699 401 Y HA 0.341 4.891 4.550 -0.000 0.000 0.282 401 Y C -0.602 175.272 175.900 -0.044 0.000 1.058 401 Y CA -0.816 57.247 58.100 -0.062 0.000 1.194 401 Y CB 0.675 39.094 38.460 -0.067 0.000 1.193 401 Y HN -0.121 nan 8.280 nan 0.000 0.562 402 R N 1.427 121.962 120.500 0.058 0.000 2.272 402 R HA 0.389 4.729 4.340 -0.000 0.000 0.334 402 R C 1.168 177.500 176.300 0.053 0.000 1.117 402 R CA 0.403 56.529 56.100 0.044 0.000 0.966 402 R CB 0.311 30.619 30.300 0.013 0.000 1.049 402 R HN 0.470 nan 8.270 nan 0.000 0.477 403 A N 3.776 126.627 122.820 0.052 0.000 1.908 403 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 403 A C 2.054 179.678 177.584 0.067 0.000 1.181 403 A CA 1.835 53.912 52.037 0.067 0.000 0.627 403 A CB -1.062 17.961 19.000 0.038 0.000 0.818 403 A HN 0.831 nan 8.150 nan 0.000 0.445 404 G N -0.271 108.550 108.800 0.035 0.000 2.440 404 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 404 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 404 G C 1.535 176.431 174.900 -0.007 0.000 1.154 404 G CA 1.109 46.222 45.100 0.021 0.000 0.767 404 G HN 0.454 nan 8.290 nan 0.000 0.552 405 L N -0.652 120.555 121.223 -0.028 0.000 2.109 405 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 405 L C 2.587 179.431 176.870 -0.042 0.000 1.086 405 L CA 1.194 55.987 54.840 -0.078 0.000 0.760 405 L CB -0.545 41.444 42.059 -0.116 0.000 0.910 405 L HN 0.285 nan 8.230 nan 0.000 0.437 406 H N 0.711 119.740 119.070 -0.067 0.000 2.293 406 H HA -0.194 4.362 4.556 -0.000 0.000 0.300 406 H C 2.267 177.555 175.328 -0.066 0.000 1.082 406 H CA 1.943 57.953 56.048 -0.064 0.000 1.308 406 H CB 0.055 29.792 29.762 -0.042 0.000 1.375 406 H HN 0.273 nan 8.280 nan 0.000 0.495 407 Q N -0.507 119.226 119.800 -0.112 0.000 2.291 407 Q HA 0.009 4.348 4.340 -0.000 0.000 0.205 407 Q C 2.289 178.190 176.000 -0.165 0.000 0.970 407 Q CA 0.813 56.524 55.803 -0.153 0.000 0.876 407 Q CB 0.066 28.782 28.738 -0.038 0.000 0.935 407 Q HN 0.605 nan 8.270 nan 0.000 0.455 408 A N 0.369 123.105 122.820 -0.140 0.000 2.168 408 A HA 0.148 4.468 4.320 -0.000 0.000 0.215 408 A C 1.606 179.074 177.584 -0.193 0.000 1.152 408 A CA 0.937 52.894 52.037 -0.134 0.000 0.716 408 A CB -0.508 18.448 19.000 -0.072 0.000 0.794 408 A HN 0.466 nan 8.150 nan 0.000 0.465 409 G N -1.524 107.119 108.800 -0.262 0.000 2.137 409 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.237 409 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.237 409 G C 0.701 175.362 174.900 -0.400 0.000 1.002 409 G CA 0.812 45.724 45.100 -0.314 0.000 0.702 409 G HN 1.666 nan 8.290 nan 0.000 0.515 410 V N -2.806 116.920 119.914 -0.312 0.000 3.319 410 V HA 0.369 4.489 4.120 -0.000 0.000 0.317 410 V C 0.423 176.438 176.094 -0.132 0.000 1.411 410 V CA -0.215 61.898 62.300 -0.311 0.000 1.112 410 V CB 0.255 31.939 31.823 -0.232 0.000 1.031 410 V HN 0.101 nan 8.190 nan 0.000 0.448 411 D N 2.485 122.840 120.400 -0.074 0.000 2.525 411 D HA 0.380 5.020 4.640 -0.000 0.000 0.235 411 D C 1.550 177.925 176.300 0.125 0.000 1.137 411 D CA 2.072 56.102 54.000 0.050 0.000 0.868 411 D CB 0.932 41.774 40.800 0.070 0.000 1.180 411 D HN 0.613 nan 8.370 nan 0.000 0.465 412 G N 2.191 111.144 108.800 0.255 0.000 2.184 412 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.264 412 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.264 412 G C 1.034 175.971 174.900 0.061 0.000 0.975 412 G CA 0.274 45.486 45.100 0.188 0.000 0.642 412 G HN 0.466 nan 8.290 nan 0.000 0.536 413 K N -0.570 119.868 120.400 0.063 0.000 2.402 413 K HA 0.456 4.776 4.320 -0.000 0.000 0.204 413 K C 0.271 176.947 176.600 0.126 0.000 1.056 413 K CA 0.213 56.554 56.287 0.089 0.000 1.069 413 K CB 1.698 34.246 32.500 0.080 0.000 0.888 413 K HN 0.337 nan 8.250 nan 0.000 0.546 414 V N 1.596 121.574 119.914 0.107 0.000 2.444 414 V HA 0.301 4.421 4.120 -0.000 0.000 0.294 414 V C -0.535 175.657 176.094 0.164 0.000 1.022 414 V CA -0.656 61.742 62.300 0.163 0.000 0.850 414 V CB 1.902 33.775 31.823 0.084 0.000 0.992 414 V HN -0.025 nan 8.190 nan 0.000 0.426 415 S N 3.967 119.806 115.700 0.230 0.000 2.566 415 S HA 0.869 5.339 4.470 -0.000 0.000 0.324 415 S C -0.130 174.597 174.600 0.211 0.000 1.081 415 S CA -0.331 57.993 58.200 0.206 0.000 1.105 415 S CB 1.369 64.706 63.200 0.228 0.000 0.981 415 S HN 1.090 nan 8.310 nan 0.000 0.464 416 A N 2.916 125.814 122.820 0.130 0.000 2.594 416 A HA 0.783 5.103 4.320 -0.000 0.000 0.295 416 A C -1.286 176.324 177.584 0.044 0.000 1.071 416 A CA -0.911 51.148 52.037 0.037 0.000 0.685 416 A CB 1.318 20.349 19.000 0.052 0.000 1.285 416 A HN 0.479 nan 8.150 nan 0.000 0.405 417 K N 1.174 121.580 120.400 0.010 0.000 2.211 417 K HA 0.589 4.909 4.320 -0.000 0.000 0.275 417 K C 0.327 176.956 176.600 0.048 0.000 1.024 417 K CA 0.290 56.603 56.287 0.043 0.000 0.887 417 K CB 0.750 33.287 32.500 0.062 0.000 1.084 417 K HN 0.872 nan 8.250 nan 0.000 0.463 418 T N 0.190 114.777 114.554 0.055 0.000 2.874 418 T HA 0.731 5.081 4.350 -0.000 0.000 0.281 418 T C 0.326 175.057 174.700 0.052 0.000 0.994 418 T CA -0.773 61.367 62.100 0.066 0.000 1.015 418 T CB 1.517 70.419 68.868 0.056 0.000 1.028 418 T HN 0.546 nan 8.240 nan 0.000 0.523 419 G N 0.056 108.886 108.800 0.050 0.000 2.741 419 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 419 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 419 G C -1.278 173.589 174.900 -0.055 0.000 1.457 419 G CA -0.797 44.298 45.100 -0.007 0.000 1.098 419 G HN 0.793 nan 8.290 nan 0.000 0.536 420 S N 0.827 116.457 115.700 -0.118 0.000 2.575 420 S HA 0.754 5.224 4.470 -0.000 0.000 0.278 420 S C -0.547 173.890 174.600 -0.272 0.000 1.139 420 S CA -0.535 57.541 58.200 -0.207 0.000 0.954 420 S CB 1.434 64.597 63.200 -0.061 0.000 1.054 420 S HN 0.607 nan 8.310 nan 0.000 0.483 421 L N 1.299 122.293 121.223 -0.382 0.000 2.341 421 L HA 0.542 4.881 4.340 -0.000 0.000 0.254 421 L C -0.020 176.641 176.870 -0.348 0.000 1.040 421 L CA -1.086 53.568 54.840 -0.310 0.000 0.837 421 L CB 1.443 43.355 42.059 -0.244 0.000 1.425 421 L HN 0.600 nan 8.230 nan 0.000 0.414 422 Q N 0.818 120.491 119.800 -0.211 0.000 2.339 422 Q HA 0.110 4.450 4.340 -0.000 0.000 0.308 422 Q C 0.958 176.861 176.000 -0.162 0.000 1.097 422 Q CA 1.343 57.069 55.803 -0.127 0.000 1.007 422 Q CB 0.050 28.749 28.738 -0.065 0.000 1.051 422 Q HN 0.845 nan 8.270 nan 0.000 0.381 423 G N 2.415 111.124 108.800 -0.152 0.000 2.162 423 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 423 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 423 G C -0.279 174.457 174.900 -0.274 0.000 0.976 423 G CA 0.074 45.145 45.100 -0.049 0.000 0.655 423 G HN 0.606 nan 8.290 nan 0.000 0.533 424 V N 0.297 119.774 119.914 -0.729 0.000 2.483 424 V HA 0.658 4.778 4.120 -0.000 0.000 0.297 424 V C -0.907 174.539 176.094 -1.081 0.000 1.027 424 V CA -0.930 60.995 62.300 -0.625 0.000 0.855 424 V CB 1.563 33.166 31.823 -0.367 0.000 0.995 424 V HN 0.252 nan 8.190 nan 0.000 0.424 425 Y N 3.054 123.303 120.300 -0.086 0.000 2.594 425 Y HA 0.466 5.016 4.550 -0.000 0.000 0.338 425 Y C 0.288 176.217 175.900 0.048 0.000 1.019 425 Y CA -0.722 57.331 58.100 -0.078 0.000 1.306 425 Y CB 1.006 39.344 38.460 -0.203 0.000 1.094 425 Y HN 0.609 nan 8.280 nan 0.000 0.534 426 N N 2.884 121.676 118.700 0.153 0.000 2.443 426 N HA 0.818 5.558 4.740 -0.000 0.000 0.293 426 N C -1.450 174.211 175.510 0.252 0.000 1.159 426 N CA -0.878 52.328 53.050 0.260 0.000 0.904 426 N CB 1.974 40.616 38.487 0.259 0.000 1.214 426 N HN 0.292 nan 8.380 nan 0.000 0.513 427 L N 0.871 122.274 121.223 0.301 0.000 2.445 427 L HA 0.776 5.115 4.340 -0.000 0.000 0.262 427 L C -1.237 175.684 176.870 0.085 0.000 0.974 427 L CA -0.808 54.173 54.840 0.235 0.000 0.822 427 L CB 2.104 44.392 42.059 0.381 0.000 1.339 427 L HN 0.618 nan 8.230 nan 0.000 0.409 428 A N 1.672 124.394 122.820 -0.165 0.000 2.437 428 A HA 0.927 5.247 4.320 -0.000 0.000 0.293 428 A C -0.311 176.862 177.584 -0.684 0.000 1.038 428 A CA 0.305 52.060 52.037 -0.470 0.000 0.708 428 A CB 1.797 20.666 19.000 -0.217 0.000 1.251 428 A HN 0.938 nan 8.150 nan 0.000 0.409 429 G N 0.516 108.569 108.800 -1.245 0.000 2.566 429 G HA2 0.503 4.463 3.960 -0.000 0.000 0.138 429 G HA3 0.503 4.463 3.960 -0.000 0.000 0.138 429 G C -1.640 172.453 174.900 -1.345 0.000 1.133 429 G CA -0.345 44.090 45.100 -1.108 0.000 1.037 429 G HN 0.847 nan 8.290 nan 0.000 0.491 430 F N 0.254 120.164 119.950 -0.066 0.000 2.565 430 F HA 0.819 5.346 4.527 -0.000 0.000 0.313 430 F C -0.095 175.938 175.800 0.389 0.000 1.091 430 F CA -0.779 57.332 58.000 0.185 0.000 0.915 430 F CB 2.476 41.538 39.000 0.103 0.000 1.208 430 F HN 0.453 nan 8.300 nan 0.000 0.453 431 I N 1.195 122.093 120.570 0.547 0.000 2.582 431 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 431 I C -1.024 175.265 176.117 0.287 0.000 1.066 431 I CA -0.161 61.365 61.300 0.377 0.000 1.053 431 I CB 1.886 40.053 38.000 0.279 0.000 1.241 431 I HN 0.525 nan 8.210 nan 0.000 0.421 432 T N 5.605 120.306 114.554 0.244 0.000 2.744 432 T HA 0.358 4.708 4.350 -0.000 0.000 0.291 432 T C 0.182 175.022 174.700 0.235 0.000 0.957 432 T CA -0.374 61.842 62.100 0.192 0.000 1.002 432 T CB 0.865 69.827 68.868 0.157 0.000 0.919 432 T HN 0.743 nan 8.240 nan 0.000 0.468 433 T N 0.503 115.100 114.554 0.072 0.000 2.884 433 T HA 0.622 4.972 4.350 -0.000 0.000 0.277 433 T C 1.891 176.268 174.700 -0.539 0.000 0.976 433 T CA -0.398 61.581 62.100 -0.201 0.000 0.956 433 T CB 0.772 69.540 68.868 -0.167 0.000 1.113 433 T HN 0.418 nan 8.240 nan 0.000 0.554 434 A N 0.954 123.099 122.820 -1.125 0.000 1.917 434 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 434 A C 2.544 179.951 177.584 -0.295 0.000 1.182 434 A CA 2.462 54.030 52.037 -0.782 0.000 0.633 434 A CB -1.590 17.034 19.000 -0.626 0.000 0.819 434 A HN 1.211 nan 8.150 nan 0.000 0.448 435 S N -2.034 113.531 115.700 -0.225 0.000 2.515 435 S HA 0.319 4.789 4.470 -0.000 0.000 0.231 435 S C 1.533 176.090 174.600 -0.071 0.000 0.987 435 S CA 1.225 59.357 58.200 -0.113 0.000 0.936 435 S CB -0.340 62.808 63.200 -0.087 0.000 0.766 435 S HN 2.017 nan 8.310 nan 0.000 0.528 436 G N 0.468 109.226 108.800 -0.070 0.000 2.195 436 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.246 436 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.246 436 G C -0.100 174.799 174.900 -0.002 0.000 0.984 436 G CA 0.159 45.249 45.100 -0.017 0.000 0.633 436 G HN 0.753 nan 8.290 nan 0.000 0.525 437 Q N 0.744 120.536 119.800 -0.013 0.000 2.289 437 Q HA 0.328 4.668 4.340 -0.000 0.000 0.273 437 Q C 0.635 176.664 176.000 0.048 0.000 1.029 437 Q CA -0.295 55.515 55.803 0.011 0.000 0.896 437 Q CB 0.329 29.068 28.738 0.002 0.000 1.182 437 Q HN 0.511 nan 8.270 nan 0.000 0.385 438 R N 4.644 125.183 120.500 0.066 0.000 2.265 438 R HA 0.335 4.675 4.340 -0.000 0.000 0.314 438 R C -0.788 175.607 176.300 0.158 0.000 1.053 438 R CA -0.017 56.153 56.100 0.118 0.000 0.931 438 R CB 0.602 30.955 30.300 0.088 0.000 1.024 438 R HN 0.659 nan 8.270 nan 0.000 0.457 439 M N 3.158 122.894 119.600 0.225 0.000 2.465 439 M HA 0.441 4.921 4.480 -0.000 0.000 0.316 439 M C -0.575 175.931 176.300 0.344 0.000 1.121 439 M CA -0.927 54.514 55.300 0.235 0.000 0.934 439 M CB 2.347 35.056 32.600 0.183 0.000 1.692 439 M HN 0.690 nan 8.290 nan 0.000 0.444 440 A N 2.656 125.634 122.820 0.264 0.000 2.304 440 A HA 0.908 5.228 4.320 -0.000 0.000 0.301 440 A C -1.042 176.609 177.584 0.111 0.000 1.132 440 A CA -0.376 51.701 52.037 0.067 0.000 0.819 440 A CB 0.374 19.375 19.000 0.001 0.000 1.094 440 A HN 0.781 nan 8.150 nan 0.000 0.492 441 F N -0.410 119.460 119.950 -0.133 0.000 2.631 441 F HA 0.747 5.274 4.527 -0.000 0.000 0.308 441 F C -1.349 174.388 175.800 -0.106 0.000 1.097 441 F CA -1.236 56.732 58.000 -0.054 0.000 0.952 441 F CB 1.458 40.497 39.000 0.064 0.000 1.307 441 F HN 0.314 nan 8.300 nan 0.000 0.450 442 V N 2.513 122.441 119.914 0.023 0.000 2.524 442 V HA 0.402 4.522 4.120 -0.000 0.000 0.297 442 V C -1.128 174.972 176.094 0.010 0.000 1.035 442 V CA -0.533 61.658 62.300 -0.181 0.000 0.867 442 V CB 1.507 33.079 31.823 -0.418 0.000 1.004 442 V HN 0.934 nan 8.190 nan 0.000 0.426 443 Q N 4.761 124.652 119.800 0.151 0.000 2.368 443 Q HA 0.462 4.801 4.340 -0.000 0.000 0.263 443 Q C -1.850 174.355 176.000 0.341 0.000 1.009 443 Q CA -0.511 55.471 55.803 0.299 0.000 0.818 443 Q CB 1.207 30.250 28.738 0.508 0.000 1.239 443 Q HN 0.816 nan 8.270 nan 0.000 0.464 444 Y N 4.556 124.973 120.300 0.195 0.000 2.478 444 Y HA 0.318 4.868 4.550 -0.000 0.000 0.329 444 Y C -0.668 175.309 175.900 0.127 0.000 0.967 444 Y CA -1.141 57.040 58.100 0.134 0.000 1.255 444 Y CB 1.434 39.958 38.460 0.107 0.000 1.103 444 Y HN 0.529 nan 8.280 nan 0.000 0.497 445 L N 5.130 126.507 121.223 0.256 0.000 2.319 445 L HA 0.568 4.908 4.340 -0.000 0.000 0.281 445 L C -0.367 176.565 176.870 0.104 0.000 1.005 445 L CA -0.091 54.845 54.840 0.160 0.000 0.828 445 L CB 1.021 43.157 42.059 0.129 0.000 1.227 445 L HN 0.507 nan 8.230 nan 0.000 0.415 446 S N 2.087 117.845 115.700 0.096 0.000 2.806 446 S HA 0.822 5.292 4.470 -0.000 0.000 0.306 446 S C 0.555 175.211 174.600 0.092 0.000 1.167 446 S CA -0.279 57.949 58.200 0.047 0.000 0.847 446 S CB 1.156 64.351 63.200 -0.009 0.000 1.216 446 S HN 1.734 nan 8.310 nan 0.000 0.532 447 G N -0.236 108.604 108.800 0.066 0.000 2.225 447 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 447 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 447 G C -0.319 174.653 174.900 0.120 0.000 1.024 447 G CA 0.711 45.855 45.100 0.073 0.000 0.784 447 G HN 1.157 nan 8.290 nan 0.000 0.507 448 Y N 0.799 121.125 120.300 0.043 0.000 2.365 448 Y HA 0.544 5.094 4.550 -0.000 0.000 0.340 448 Y C 0.261 176.218 175.900 0.095 0.000 1.016 448 Y CA -0.273 57.885 58.100 0.096 0.000 1.196 448 Y CB 0.751 39.354 38.460 0.238 0.000 1.167 448 Y HN 0.808 nan 8.280 nan 0.000 0.509 449 A N 5.644 128.451 122.820 -0.021 0.000 2.547 449 A HA 0.666 4.985 4.320 -0.000 0.000 0.297 449 A C -1.525 175.999 177.584 -0.100 0.000 1.056 449 A CA -0.342 51.713 52.037 0.031 0.000 0.688 449 A CB 0.710 19.734 19.000 0.039 0.000 1.282 449 A HN 1.002 nan 8.150 nan 0.000 0.400 450 V N -0.631 119.265 119.914 -0.030 0.000 2.881 450 V HA 0.674 4.794 4.120 -0.000 0.000 0.316 450 V C 0.069 176.153 176.094 -0.018 0.000 1.070 450 V CA -0.983 61.284 62.300 -0.054 0.000 0.976 450 V CB 1.539 33.344 31.823 -0.029 0.000 1.038 450 V HN 0.848 nan 8.190 nan 0.000 0.446 451 E N 3.046 123.231 120.200 -0.024 0.000 2.608 451 E HA 0.027 4.377 4.350 -0.000 0.000 0.259 451 E C -1.720 174.881 176.600 0.001 0.000 0.951 451 E CA -0.769 55.625 56.400 -0.010 0.000 0.945 451 E CB 0.759 30.452 29.700 -0.013 0.000 0.916 451 E HN 0.571 nan 8.360 nan 0.000 0.477 452 P HA -0.196 nan 4.420 nan 0.000 0.218 452 P C 0.509 177.813 177.300 0.008 0.000 1.150 452 P CA 1.575 64.683 63.100 0.013 0.000 0.841 452 P CB 0.213 31.922 31.700 0.016 0.000 0.784 453 A N -1.193 121.629 122.820 0.004 0.000 2.579 453 A HA 0.093 4.413 4.320 -0.000 0.000 0.273 453 A C 0.751 178.335 177.584 -0.001 0.000 1.363 453 A CA 0.345 52.382 52.037 0.001 0.000 0.953 453 A CB -0.644 18.356 19.000 -0.000 0.000 1.034 453 A HN -0.004 nan 8.150 nan 0.000 0.536 454 D N -1.303 119.098 120.400 0.002 0.000 2.615 454 D HA 0.016 4.656 4.640 -0.000 0.000 0.274 454 D C 1.096 177.402 176.300 0.010 0.000 1.512 454 D CA -0.033 53.968 54.000 0.002 0.000 0.803 454 D CB 0.341 41.139 40.800 -0.003 0.000 1.182 454 D HN 0.219 nan 8.370 nan 0.000 0.473 455 Q N 0.551 120.358 119.800 0.012 0.000 1.948 455 Q HA -0.068 4.272 4.340 -0.000 0.000 0.205 455 Q C 1.184 177.193 176.000 0.015 0.000 0.992 455 Q CA 1.215 57.030 55.803 0.020 0.000 0.849 455 Q CB -0.059 28.688 28.738 0.016 0.000 0.918 455 Q HN -0.008 nan 8.270 nan 0.000 0.421 456 R N 1.249 121.750 120.500 0.002 0.000 2.849 456 R HA 0.064 4.404 4.340 -0.000 0.000 0.238 456 R C 0.166 176.460 176.300 -0.009 0.000 1.403 456 R CA 0.193 56.289 56.100 -0.008 0.000 1.303 456 R CB -0.442 29.848 30.300 -0.016 0.000 1.191 456 R HN 0.270 nan 8.270 nan 0.000 0.533 457 N N -1.063 117.637 118.700 -0.000 0.000 2.036 457 N HA -0.030 4.710 4.740 -0.000 0.000 0.228 457 N C 0.839 176.358 175.510 0.015 0.000 1.368 457 N CA 0.019 53.069 53.050 0.001 0.000 0.846 457 N CB 0.382 38.869 38.487 0.001 0.000 1.145 457 N HN 0.266 nan 8.380 nan 0.000 0.502 458 R N 1.059 121.579 120.500 0.032 0.000 2.226 458 R HA 0.002 4.342 4.340 -0.000 0.000 0.246 458 R C 1.426 177.790 176.300 0.107 0.000 1.161 458 R CA 1.125 57.280 56.100 0.092 0.000 0.997 458 R CB -0.213 30.165 30.300 0.129 0.000 0.870 458 R HN 0.000 nan 8.270 nan 0.000 0.465 459 R N 0.778 121.272 120.500 -0.010 0.000 2.300 459 R HA 0.062 4.402 4.340 -0.000 0.000 0.199 459 R C 2.105 178.391 176.300 -0.024 0.000 0.920 459 R CA 0.533 56.573 56.100 -0.099 0.000 1.046 459 R CB -0.042 30.157 30.300 -0.167 0.000 0.984 459 R HN 0.403 nan 8.270 nan 0.000 0.493 460 I N -0.326 120.255 120.570 0.018 0.000 2.252 460 I HA -0.024 4.146 4.170 -0.000 0.000 0.245 460 I C -1.289 174.867 176.117 0.064 0.000 1.102 460 I CA 1.154 62.471 61.300 0.029 0.000 1.385 460 I CB -1.118 36.893 38.000 0.018 0.000 1.064 460 I HN -0.123 nan 8.210 nan 0.000 0.414 461 P HA -0.146 nan 4.420 nan 0.000 0.216 461 P C 2.071 179.494 177.300 0.204 0.000 1.150 461 P CA 1.195 64.373 63.100 0.130 0.000 0.837 461 P CB -0.130 31.622 31.700 0.086 0.000 0.786 462 L N -0.437 120.909 121.223 0.205 0.000 1.994 462 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 462 L C 2.169 179.133 176.870 0.157 0.000 1.071 462 L CA 1.881 56.804 54.840 0.139 0.000 0.745 462 L CB -1.233 40.716 42.059 -0.184 0.000 0.892 462 L HN -0.198 nan 8.230 nan 0.000 0.431 463 V N 0.439 120.396 119.914 0.072 0.000 2.287 463 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 463 V C 2.838 178.974 176.094 0.069 0.000 1.053 463 V CA 2.012 64.347 62.300 0.058 0.000 1.027 463 V CB -0.877 30.960 31.823 0.024 0.000 0.646 463 V HN 0.469 nan 8.190 nan 0.000 0.447 464 R N -0.690 119.859 120.500 0.082 0.000 2.081 464 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 464 R C 2.206 178.538 176.300 0.054 0.000 1.131 464 R CA 1.890 58.025 56.100 0.057 0.000 0.960 464 R CB -1.150 29.193 30.300 0.072 0.000 0.856 464 R HN 0.581 nan 8.270 nan 0.000 0.436 465 F N 2.436 122.386 119.950 0.001 0.000 2.069 465 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 465 F C 2.159 177.923 175.800 -0.060 0.000 1.113 465 F CA 1.708 59.703 58.000 -0.008 0.000 1.214 465 F CB -0.037 39.008 39.000 0.075 0.000 0.978 465 F HN 0.020 nan 8.300 nan 0.000 0.474 466 E N -0.237 119.978 120.200 0.026 0.000 2.106 466 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 466 E C 2.293 178.865 176.600 -0.047 0.000 0.984 466 E CA 1.297 57.714 56.400 0.029 0.000 0.806 466 E CB -0.240 29.590 29.700 0.217 0.000 0.750 466 E HN 0.374 nan 8.360 nan 0.000 0.458 467 S N 0.894 116.544 115.700 -0.084 0.000 2.374 467 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 467 S C 1.857 176.310 174.600 -0.244 0.000 1.037 467 S CA 1.105 59.235 58.200 -0.118 0.000 1.024 467 S CB -0.175 62.971 63.200 -0.091 0.000 0.861 467 S HN 0.247 nan 8.310 nan 0.000 0.456 468 R N 0.280 120.525 120.500 -0.426 0.000 2.062 468 R HA 0.078 4.418 4.340 -0.000 0.000 0.226 468 R C 2.390 178.117 176.300 -0.953 0.000 1.125 468 R CA 0.828 56.496 56.100 -0.719 0.000 0.966 468 R CB -0.825 28.874 30.300 -1.001 0.000 0.861 468 R HN 0.298 nan 8.270 nan 0.000 0.433 469 L N 0.426 121.008 121.223 -1.067 0.000 1.989 469 L HA -0.191 4.148 4.340 -0.000 0.000 0.211 469 L C 1.934 178.361 176.870 -0.739 0.000 1.071 469 L CA 1.808 56.071 54.840 -0.963 0.000 0.749 469 L CB -0.664 40.669 42.059 -1.211 0.000 0.890 469 L HN 0.079 nan 8.230 nan 0.000 0.431 470 Y N -0.684 119.396 120.300 -0.367 0.000 2.314 470 Y HA -0.155 4.395 4.550 -0.000 0.000 0.293 470 Y C 2.535 178.340 175.900 -0.159 0.000 1.129 470 Y CA 1.279 59.221 58.100 -0.263 0.000 1.201 470 Y CB -0.365 37.934 38.460 -0.269 0.000 0.999 470 Y HN 0.189 nan 8.280 nan 0.000 0.541 471 K N 0.890 121.241 120.400 -0.082 0.000 2.026 471 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 471 K C 1.836 178.427 176.600 -0.015 0.000 1.048 471 K CA 1.936 58.199 56.287 -0.040 0.000 0.929 471 K CB -0.649 31.795 32.500 -0.094 0.000 0.713 471 K HN 0.163 nan 8.250 nan 0.000 0.439 472 D N 0.353 120.692 120.400 -0.103 0.000 2.103 472 D HA -0.194 4.446 4.640 -0.000 0.000 0.190 472 D C 1.958 178.236 176.300 -0.036 0.000 0.997 472 D CA 1.856 55.829 54.000 -0.046 0.000 0.833 472 D CB -0.197 40.597 40.800 -0.010 0.000 0.961 472 D HN 0.344 nan 8.370 nan 0.000 0.447 473 I N -0.361 120.156 120.570 -0.088 0.000 2.208 473 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 473 I C 2.448 178.576 176.117 0.018 0.000 1.097 473 I CA 1.109 62.373 61.300 -0.060 0.000 1.363 473 I CB -0.444 37.476 38.000 -0.132 0.000 1.051 473 I HN 0.106 nan 8.210 nan 0.000 0.413 474 Y N 1.366 121.637 120.300 -0.049 0.000 2.114 474 Y HA -0.316 4.234 4.550 -0.000 0.000 0.284 474 Y C 2.793 178.682 175.900 -0.019 0.000 1.143 474 Y CA 2.033 60.122 58.100 -0.019 0.000 1.135 474 Y CB -0.370 38.082 38.460 -0.014 0.000 0.980 474 Y HN 0.129 nan 8.280 nan 0.000 0.499 475 Q N -0.123 119.712 119.800 0.058 0.000 2.124 475 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 475 Q C 0.870 176.821 176.000 -0.081 0.000 0.977 475 Q CA 1.588 57.380 55.803 -0.019 0.000 0.850 475 Q CB -0.099 28.670 28.738 0.052 0.000 0.901 475 Q HN 0.480 nan 8.270 nan 0.000 0.429 476 N N 0.629 119.294 118.700 -0.058 0.000 2.268 476 N HA 0.116 4.856 4.740 -0.000 0.000 0.204 476 N C -0.622 174.852 175.510 -0.059 0.000 1.124 476 N CA 0.122 53.142 53.050 -0.050 0.000 0.838 476 N CB 0.418 38.889 38.487 -0.026 0.000 0.994 476 N HN 0.234 nan 8.380 nan 0.000 0.489 477 N N 0.000 118.646 118.700 -0.091 0.000 1.763 477 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 477 N CA 0.000 53.005 53.050 -0.074 0.000 0.885 477 N CB 0.000 38.460 38.487 -0.044 0.000 1.341 477 N HN 0.000 nan 8.380 nan 0.000 0.667