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 3ifg_1_J DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 3 G C 0.000 174.869 174.900 -0.052 0.000 0.946 3 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 4 S N 0.543 116.212 115.700 -0.052 0.000 2.741 4 S HA 0.627 5.098 4.470 0.001 0.000 0.247 4 S C 0.308 174.883 174.600 -0.043 0.000 1.050 4 S CA -0.400 57.775 58.200 -0.041 0.000 1.025 4 S CB -0.176 63.004 63.200 -0.034 0.000 0.897 4 S HN 0.320 nan 8.310 nan 0.000 0.508 5 M N 0.883 120.452 119.600 -0.053 0.000 2.528 5 M HA 0.512 4.992 4.480 0.001 0.000 0.321 5 M C 0.311 176.579 176.300 -0.054 0.000 1.153 5 M CA -0.806 54.461 55.300 -0.055 0.000 0.951 5 M CB 1.908 34.465 32.600 -0.072 0.000 1.705 5 M HN -0.162 nan 8.290 nan 0.000 0.451 6 K N 0.185 120.558 120.400 -0.046 0.000 2.211 6 K HA -0.055 4.265 4.320 0.001 0.000 0.203 6 K C -0.056 176.513 176.600 -0.052 0.000 1.050 6 K CA 1.063 57.326 56.287 -0.041 0.000 0.945 6 K CB 0.004 32.486 32.500 -0.030 0.000 0.732 6 K HN 0.448 nan 8.250 nan 0.000 0.451 7 D N -0.788 119.569 120.400 -0.071 0.000 2.429 7 D HA 0.134 4.774 4.640 0.001 0.000 0.255 7 D C -2.352 173.862 176.300 -0.144 0.000 1.257 7 D CA -2.011 51.929 54.000 -0.100 0.000 0.890 7 D CB 1.149 41.892 40.800 -0.094 0.000 1.267 7 D HN -0.140 nan 8.370 nan 0.000 0.521 8 P HA -0.008 nan 4.420 nan 0.000 0.249 8 P C 0.931 178.101 177.300 -0.216 0.000 1.241 8 P CA 0.243 63.250 63.100 -0.154 0.000 0.781 8 P CB 0.068 31.697 31.700 -0.118 0.000 1.088 9 S N -0.826 114.702 115.700 -0.288 0.000 2.481 9 S HA -0.025 4.445 4.470 0.001 0.000 0.231 9 S C 1.860 176.030 174.600 -0.716 0.000 0.996 9 S CA 0.364 58.286 58.200 -0.463 0.000 0.942 9 S CB -1.319 61.588 63.200 -0.487 0.000 0.768 9 S HN 0.108 nan 8.310 nan 0.000 0.520 10 L N 0.185 121.095 121.223 -0.521 0.000 2.056 10 L HA 0.156 4.496 4.340 0.001 0.000 0.207 10 L C 1.082 177.793 176.870 -0.265 0.000 1.078 10 L CA 0.419 55.006 54.840 -0.422 0.000 0.749 10 L CB -0.422 41.507 42.059 -0.217 0.000 0.901 10 L HN 0.327 nan 8.230 nan 0.000 0.433 11 L N 1.979 123.069 121.223 -0.221 0.000 2.515 11 L HA 0.101 4.441 4.340 0.001 0.000 0.281 11 L C 0.097 176.902 176.870 -0.110 0.000 1.131 11 L CA 0.408 55.142 54.840 -0.177 0.000 0.905 11 L CB -0.255 41.680 42.059 -0.208 0.000 1.246 11 L HN 0.031 nan 8.230 nan 0.000 0.463 12 R N 3.555 124.034 120.500 -0.034 0.000 2.598 12 R HA 0.332 4.672 4.340 0.001 0.000 0.279 12 R C -0.280 176.084 176.300 0.107 0.000 0.984 12 R CA -0.562 55.548 56.100 0.017 0.000 0.999 12 R CB 0.815 31.109 30.300 -0.010 0.000 1.114 12 R HN 0.594 nan 8.270 nan 0.000 0.493 13 H N -0.483 118.640 119.070 0.088 0.000 2.662 13 H HA 0.281 4.838 4.556 0.001 0.000 0.268 13 H C -0.496 174.895 175.328 0.104 0.000 1.152 13 H CA -0.045 56.074 56.048 0.119 0.000 1.072 13 H CB 0.788 30.582 29.762 0.054 0.000 1.660 13 H HN 0.381 nan 8.280 nan 0.000 0.584 14 Q N -0.234 119.721 119.800 0.258 0.000 2.423 14 Q HA 0.723 5.064 4.340 0.001 0.000 0.278 14 Q C -0.576 175.690 176.000 0.443 0.000 1.097 14 Q CA -1.046 54.939 55.803 0.304 0.000 0.809 14 Q CB 2.806 31.750 28.738 0.343 0.000 1.391 14 Q HN 0.287 nan 8.270 nan 0.000 0.428 15 A N 0.757 123.752 122.820 0.291 0.000 2.310 15 A HA 0.296 4.616 4.320 0.001 0.000 0.260 15 A C -1.263 176.406 177.584 0.141 0.000 1.112 15 A CA 0.174 52.334 52.037 0.204 0.000 0.804 15 A CB 0.225 19.276 19.000 0.085 0.000 1.081 15 A HN 0.694 nan 8.150 nan 0.000 0.499 16 Y N 1.104 121.221 120.300 -0.305 0.000 2.787 16 Y HA 0.393 4.943 4.550 0.001 0.000 0.352 16 Y C -0.764 174.888 175.900 -0.414 0.000 1.027 16 Y CA -1.532 56.148 58.100 -0.701 0.000 1.219 16 Y CB 0.412 38.221 38.460 -1.084 0.000 1.110 16 Y HN 0.378 nan 8.280 nan 0.000 0.614 17 I N 3.986 124.290 120.570 -0.444 0.000 2.301 17 I HA 0.271 4.442 4.170 0.001 0.000 0.292 17 I C 1.245 177.074 176.117 -0.480 0.000 1.046 17 I CA -0.269 60.816 61.300 -0.358 0.000 1.282 17 I CB 0.324 38.211 38.000 -0.188 0.000 1.409 17 I HN 0.854 nan 8.210 nan 0.000 0.484 18 G N 5.260 113.774 108.800 -0.477 0.000 2.412 18 G HA2 -0.083 3.878 3.960 0.001 0.000 0.297 18 G HA3 -0.083 3.878 3.960 0.001 0.000 0.297 18 G C 1.064 175.662 174.900 -0.503 0.000 0.965 18 G CA 0.973 45.820 45.100 -0.421 0.000 1.134 18 G HN 1.513 nan 8.290 nan 0.000 0.511 19 G N -1.309 106.966 108.800 -0.875 0.000 2.279 19 G HA2 -0.185 3.776 3.960 0.001 0.000 0.223 19 G HA3 -0.185 3.776 3.960 0.001 0.000 0.223 19 G C 0.193 174.709 174.900 -0.641 0.000 1.015 19 G CA 0.786 45.464 45.100 -0.705 0.000 0.621 19 G HN 1.005 nan 8.290 nan 0.000 0.506 20 E N -1.202 118.648 120.200 -0.584 0.000 2.263 20 E HA 0.584 4.934 4.350 0.001 0.000 0.264 20 E C -1.072 175.382 176.600 -0.244 0.000 0.923 20 E CA -1.100 55.152 56.400 -0.247 0.000 0.802 20 E CB 1.036 30.694 29.700 -0.070 0.000 1.228 20 E HN 0.246 nan 8.360 nan 0.000 0.417 21 W N 2.379 123.747 121.300 0.112 0.000 1.912 21 W HA 0.223 4.884 4.660 0.001 0.000 0.399 21 W C 0.054 176.620 176.519 0.079 0.000 0.800 21 W CA -0.368 57.071 57.345 0.156 0.000 1.593 21 W CB 0.060 29.633 29.460 0.187 0.000 1.769 21 W HN 0.279 nan 8.180 nan 0.000 0.281 22 Q N 1.358 121.252 119.800 0.156 0.000 2.443 22 Q HA 0.544 4.885 4.340 0.001 0.000 0.232 22 Q C 0.488 176.566 176.000 0.130 0.000 1.026 22 Q CA -0.259 55.607 55.803 0.106 0.000 0.924 22 Q CB 1.016 29.770 28.738 0.026 0.000 1.256 22 Q HN 0.469 nan 8.270 nan 0.000 0.519 23 A N 0.659 123.536 122.820 0.096 0.000 2.261 23 A HA 0.753 5.074 4.320 0.001 0.000 0.323 23 A C -0.673 176.945 177.584 0.055 0.000 1.107 23 A CA -0.328 51.759 52.037 0.082 0.000 0.883 23 A CB 0.546 19.589 19.000 0.071 0.000 1.251 23 A HN 0.772 nan 8.150 nan 0.000 0.502 24 A N -0.188 122.661 122.820 0.049 0.000 2.483 24 A HA 0.298 4.618 4.320 0.001 0.000 0.238 24 A C 0.705 178.308 177.584 0.032 0.000 1.070 24 A CA 0.347 52.408 52.037 0.040 0.000 0.770 24 A CB -0.229 18.799 19.000 0.046 0.000 1.008 24 A HN 0.796 nan 8.150 nan 0.000 0.497 25 D N 1.159 121.574 120.400 0.025 0.000 2.103 25 D HA -0.155 4.485 4.640 0.001 0.000 0.190 25 D C 2.165 178.477 176.300 0.021 0.000 0.997 25 D CA 2.461 56.473 54.000 0.019 0.000 0.833 25 D CB -0.272 40.536 40.800 0.013 0.000 0.961 25 D HN 0.675 nan 8.370 nan 0.000 0.447 26 S N -0.398 115.316 115.700 0.024 0.000 2.786 26 S HA 0.001 4.472 4.470 0.001 0.000 0.223 26 S C 0.227 174.844 174.600 0.028 0.000 0.956 26 S CA 0.567 58.782 58.200 0.024 0.000 0.961 26 S CB -0.184 63.031 63.200 0.025 0.000 0.784 26 S HN 0.150 nan 8.310 nan 0.000 0.519 27 D N 0.069 120.486 120.400 0.029 0.000 3.067 27 D HA -0.190 4.451 4.640 0.001 0.000 0.216 27 D C 0.425 176.745 176.300 0.033 0.000 1.162 27 D CA 1.101 55.119 54.000 0.031 0.000 0.960 27 D CB -1.425 39.391 40.800 0.026 0.000 1.129 27 D HN 0.842 nan 8.370 nan 0.000 0.408 28 A N 0.105 122.949 122.820 0.040 0.000 2.425 28 A HA 0.536 4.857 4.320 0.001 0.000 0.242 28 A C 0.925 178.541 177.584 0.054 0.000 1.077 28 A CA 0.927 52.995 52.037 0.051 0.000 0.781 28 A CB 0.528 19.565 19.000 0.062 0.000 1.020 28 A HN 0.367 nan 8.150 nan 0.000 0.494 29 T N -1.325 113.263 114.554 0.057 0.000 2.864 29 T HA 0.760 5.110 4.350 0.001 0.000 0.299 29 T C -0.616 174.139 174.700 0.091 0.000 1.166 29 T CA -0.502 61.601 62.100 0.005 0.000 1.007 29 T CB 1.243 70.082 68.868 -0.049 0.000 1.219 29 T HN 1.365 nan 8.240 nan 0.000 0.506 30 F N -1.198 118.735 119.950 -0.029 0.000 2.588 30 F HA 0.841 5.369 4.527 0.001 0.000 0.314 30 F C -0.312 175.423 175.800 -0.109 0.000 1.069 30 F CA -1.305 56.659 58.000 -0.061 0.000 0.931 30 F CB 1.435 40.393 39.000 -0.070 0.000 1.260 30 F HN 0.801 nan 8.300 nan 0.000 0.465 31 E N 1.085 121.271 120.200 -0.023 0.000 2.313 31 E HA 0.576 4.927 4.350 0.001 0.000 0.272 31 E C -1.496 174.849 176.600 -0.426 0.000 1.038 31 E CA -0.802 55.441 56.400 -0.262 0.000 0.863 31 E CB 1.718 31.232 29.700 -0.310 0.000 1.060 31 E HN 0.616 nan 8.360 nan 0.000 0.402 32 V N 5.227 124.885 119.914 -0.426 0.000 2.407 32 V HA 0.312 4.433 4.120 0.001 0.000 0.291 32 V C -0.692 175.230 176.094 -0.286 0.000 1.018 32 V CA -0.591 61.515 62.300 -0.324 0.000 0.842 32 V CB 0.528 32.290 31.823 -0.102 0.000 0.996 32 V HN 0.531 nan 8.190 nan 0.000 0.426 33 F N 1.709 121.726 119.950 0.110 0.000 2.377 33 F HA 0.548 5.075 4.527 0.001 0.000 0.335 33 F C 0.613 176.457 175.800 0.073 0.000 1.099 33 F CA -1.003 57.050 58.000 0.087 0.000 1.072 33 F CB 0.468 39.511 39.000 0.071 0.000 1.417 33 F HN 0.380 nan 8.300 nan 0.000 0.495 34 D N 0.278 120.838 120.400 0.267 0.000 2.308 34 D HA 0.309 4.949 4.640 0.001 0.000 0.242 34 D C -2.138 174.207 176.300 0.076 0.000 1.059 34 D CA -2.325 51.751 54.000 0.125 0.000 0.830 34 D CB 2.086 42.931 40.800 0.074 0.000 1.161 34 D HN 0.032 nan 8.370 nan 0.000 0.494 35 P HA 0.003 nan 4.420 nan 0.000 0.220 35 P C 0.565 177.799 177.300 -0.110 0.000 1.148 35 P CA 0.867 63.941 63.100 -0.043 0.000 0.803 35 P CB 0.442 32.078 31.700 -0.107 0.000 0.782 36 A N -0.608 122.141 122.820 -0.118 0.000 1.881 36 A HA -0.015 4.306 4.320 0.001 0.000 0.210 36 A C 2.225 179.720 177.584 -0.150 0.000 1.239 36 A CA 1.833 53.829 52.037 -0.068 0.000 0.629 36 A CB -1.473 17.595 19.000 0.113 0.000 0.906 36 A HN 0.282 nan 8.150 nan 0.000 0.460 37 T N -4.309 110.134 114.554 -0.186 0.000 2.814 37 T HA 0.378 4.729 4.350 0.001 0.000 0.254 37 T C 1.583 175.971 174.700 -0.519 0.000 1.037 37 T CA 1.677 63.604 62.100 -0.288 0.000 1.143 37 T CB -0.211 68.603 68.868 -0.090 0.000 0.866 37 T HN 1.726 nan 8.240 nan 0.000 0.431 38 G N 1.541 110.213 108.800 -0.213 0.000 2.211 38 G HA2 -0.153 3.808 3.960 0.001 0.000 0.201 38 G HA3 -0.153 3.808 3.960 0.001 0.000 0.201 38 G C -0.248 174.707 174.900 0.091 0.000 0.997 38 G CA -0.087 45.026 45.100 0.021 0.000 0.652 38 G HN 0.817 nan 8.290 nan 0.000 0.500 39 E N 1.250 121.501 120.200 0.086 0.000 2.283 39 E HA 0.543 4.893 4.350 0.001 0.000 0.278 39 E C 0.455 177.182 176.600 0.212 0.000 1.027 39 E CA -0.014 56.462 56.400 0.127 0.000 0.843 39 E CB 1.511 31.252 29.700 0.069 0.000 1.062 39 E HN 0.221 nan 8.360 nan 0.000 0.401 40 S N 1.518 117.385 115.700 0.278 0.000 2.626 40 S HA -0.053 4.417 4.470 0.001 0.000 0.303 40 S C 0.683 175.368 174.600 0.142 0.000 1.256 40 S CA 0.113 58.472 58.200 0.264 0.000 1.069 40 S CB -0.052 63.278 63.200 0.217 0.000 0.807 40 S HN 0.595 nan 8.310 nan 0.000 0.500 41 L N 3.706 125.003 121.223 0.124 0.000 2.628 41 L HA 0.658 4.998 4.340 0.001 0.000 0.229 41 L C 1.371 178.290 176.870 0.081 0.000 1.137 41 L CA 0.727 55.604 54.840 0.061 0.000 0.909 41 L CB -1.590 40.508 42.059 0.064 0.000 1.137 41 L HN 1.396 nan 8.230 nan 0.000 0.470 42 G N -1.209 107.688 108.800 0.162 0.000 2.318 42 G HA2 0.417 4.377 3.960 0.001 0.000 0.367 42 G HA3 0.417 4.377 3.960 0.001 0.000 0.367 42 G C -0.136 174.888 174.900 0.207 0.000 1.260 42 G CA 0.431 45.709 45.100 0.296 0.000 1.055 42 G HN 1.793 nan 8.290 nan 0.000 0.484 43 T N -2.645 112.086 114.554 0.295 0.000 2.896 43 T HA 0.921 5.271 4.350 0.001 0.000 0.297 43 T C -0.227 174.452 174.700 -0.036 0.000 1.108 43 T CA 0.072 62.189 62.100 0.028 0.000 1.004 43 T CB 1.697 70.565 68.868 -0.000 0.000 1.159 43 T HN 2.213 nan 8.240 nan 0.000 0.499 44 V N -2.099 117.582 119.914 -0.389 0.000 3.040 44 V HA 0.812 4.932 4.120 0.001 0.000 0.312 44 V C -3.134 172.709 176.094 -0.418 0.000 1.115 44 V CA -3.259 58.801 62.300 -0.399 0.000 0.998 44 V CB 1.365 32.841 31.823 -0.579 0.000 1.042 44 V HN 0.755 nan 8.190 nan 0.000 0.433 45 P HA 0.181 nan 4.420 nan 0.000 0.266 45 P C -0.959 176.352 177.300 0.018 0.000 1.195 45 P CA 0.035 63.103 63.100 -0.053 0.000 0.768 45 P CB 0.343 32.057 31.700 0.024 0.000 0.838 46 K N 4.369 124.847 120.400 0.130 0.000 2.300 46 K HA 0.349 4.670 4.320 0.001 0.000 0.264 46 K C -0.367 176.318 176.600 0.142 0.000 1.083 46 K CA -0.234 56.221 56.287 0.279 0.000 0.958 46 K CB -0.063 32.639 32.500 0.337 0.000 1.318 46 K HN 0.409 nan 8.250 nan 0.000 0.448 47 M N 1.378 121.051 119.600 0.121 0.000 2.513 47 M HA 0.517 4.997 4.480 0.001 0.000 0.291 47 M C 0.623 176.950 176.300 0.045 0.000 1.190 47 M CA -0.506 54.834 55.300 0.066 0.000 0.960 47 M CB 1.847 34.478 32.600 0.051 0.000 1.517 47 M HN 0.735 nan 8.290 nan 0.000 0.499 48 G N -0.997 107.818 108.800 0.025 0.000 2.976 48 G HA2 0.587 4.548 3.960 0.001 0.000 0.276 48 G HA3 0.587 4.548 3.960 0.001 0.000 0.276 48 G C 0.184 175.086 174.900 0.002 0.000 1.207 48 G CA -0.003 45.103 45.100 0.011 0.000 0.803 48 G HN 0.752 nan 8.290 nan 0.000 0.572 49 A N -0.309 122.509 122.820 -0.003 0.000 1.873 49 A HA 0.129 4.449 4.320 0.001 0.000 0.218 49 A C 2.755 180.332 177.584 -0.010 0.000 1.193 49 A CA 3.460 55.492 52.037 -0.009 0.000 0.629 49 A CB -1.205 17.789 19.000 -0.009 0.000 0.826 49 A HN 1.693 nan 8.150 nan 0.000 0.447 50 A N -0.659 122.156 122.820 -0.008 0.000 1.978 50 A HA -0.159 4.161 4.320 0.001 0.000 0.220 50 A C 1.886 179.461 177.584 -0.015 0.000 1.170 50 A CA 2.062 54.093 52.037 -0.010 0.000 0.636 50 A CB -0.469 18.527 19.000 -0.006 0.000 0.810 50 A HN 0.588 nan 8.150 nan 0.000 0.448 51 E N -0.760 119.433 120.200 -0.012 0.000 2.076 51 E HA -0.052 4.299 4.350 0.001 0.000 0.190 51 E C 2.134 178.715 176.600 -0.032 0.000 0.979 51 E CA 1.549 57.937 56.400 -0.020 0.000 0.807 51 E CB -0.399 29.297 29.700 -0.008 0.000 0.761 51 E HN 0.593 nan 8.360 nan 0.000 0.454 52 T N 0.751 115.290 114.554 -0.025 0.000 2.708 52 T HA -0.173 4.177 4.350 0.001 0.000 0.266 52 T C 2.044 176.720 174.700 -0.040 0.000 1.037 52 T CA 1.292 63.373 62.100 -0.032 0.000 1.146 52 T CB -0.473 68.381 68.868 -0.023 0.000 0.865 52 T HN 0.265 nan 8.240 nan 0.000 0.435 53 A N 1.593 124.394 122.820 -0.032 0.000 1.948 53 A HA -0.205 4.116 4.320 0.001 0.000 0.220 53 A C 2.376 179.936 177.584 -0.041 0.000 1.177 53 A CA 1.930 53.948 52.037 -0.033 0.000 0.636 53 A CB -0.587 18.399 19.000 -0.024 0.000 0.815 53 A HN 0.380 nan 8.150 nan 0.000 0.449 54 R N -0.836 119.637 120.500 -0.045 0.000 2.066 54 R HA 0.006 4.346 4.340 0.001 0.000 0.232 54 R C 2.497 178.749 176.300 -0.081 0.000 1.131 54 R CA 1.260 57.325 56.100 -0.057 0.000 0.955 54 R CB -0.452 29.813 30.300 -0.057 0.000 0.851 54 R HN 0.500 nan 8.270 nan 0.000 0.432 55 A N 0.681 123.446 122.820 -0.091 0.000 1.940 55 A HA -0.184 4.137 4.320 0.001 0.000 0.219 55 A C 2.066 179.587 177.584 -0.104 0.000 1.176 55 A CA 1.450 53.416 52.037 -0.119 0.000 0.631 55 A CB -0.539 18.394 19.000 -0.112 0.000 0.814 55 A HN 0.247 nan 8.150 nan 0.000 0.446 56 I N -1.116 119.408 120.570 -0.077 0.000 2.141 56 I HA -0.207 3.964 4.170 0.001 0.000 0.236 56 I C 2.478 178.562 176.117 -0.055 0.000 1.071 56 I CA 1.598 62.858 61.300 -0.067 0.000 1.345 56 I CB -0.518 37.450 38.000 -0.053 0.000 1.066 56 I HN 0.253 nan 8.210 nan 0.000 0.406 57 E N 0.982 121.157 120.200 -0.043 0.000 2.114 57 E HA -0.285 4.065 4.350 0.001 0.000 0.199 57 E C 2.204 178.787 176.600 -0.029 0.000 1.008 57 E CA 1.847 58.231 56.400 -0.027 0.000 0.810 57 E CB -0.312 29.374 29.700 -0.024 0.000 0.739 57 E HN 0.514 nan 8.360 nan 0.000 0.456 58 A N 0.749 123.535 122.820 -0.057 0.000 1.883 58 A HA -0.184 4.136 4.320 0.001 0.000 0.217 58 A C 2.389 179.937 177.584 -0.060 0.000 1.186 58 A CA 2.109 54.103 52.037 -0.072 0.000 0.624 58 A CB -0.993 17.934 19.000 -0.121 0.000 0.822 58 A HN 0.334 nan 8.150 nan 0.000 0.444 59 A N -0.820 121.955 122.820 -0.076 0.000 1.933 59 A HA -0.219 4.101 4.320 0.001 0.000 0.218 59 A C 2.194 179.782 177.584 0.007 0.000 1.175 59 A CA 1.979 53.973 52.037 -0.072 0.000 0.628 59 A CB -0.588 18.343 19.000 -0.114 0.000 0.814 59 A HN 0.703 nan 8.150 nan 0.000 0.444 60 Q N -0.410 119.403 119.800 0.021 0.000 2.050 60 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 60 Q C 2.010 178.109 176.000 0.165 0.000 0.980 60 Q CA 1.896 57.764 55.803 0.108 0.000 0.840 60 Q CB -0.389 28.393 28.738 0.073 0.000 0.898 60 Q HN 0.561 nan 8.270 nan 0.000 0.424 61 A N -0.084 122.788 122.820 0.088 0.000 2.066 61 A HA 0.146 4.466 4.320 0.001 0.000 0.218 61 A C 2.028 179.666 177.584 0.090 0.000 1.157 61 A CA 1.148 53.230 52.037 0.076 0.000 0.670 61 A CB -0.458 18.561 19.000 0.031 0.000 0.804 61 A HN 0.519 nan 8.150 nan 0.000 0.453 62 A N -2.117 120.762 122.820 0.099 0.000 2.195 62 A HA 0.154 4.474 4.320 0.001 0.000 0.210 62 A C 1.642 179.377 177.584 0.252 0.000 1.165 62 A CA 0.668 52.773 52.037 0.112 0.000 0.806 62 A CB -0.547 18.466 19.000 0.022 0.000 0.847 62 A HN 0.731 nan 8.150 nan 0.000 0.482 63 W N 1.317 122.658 121.300 0.067 0.000 2.352 63 W HA -0.170 4.490 4.660 0.001 0.000 0.322 63 W C 2.344 178.947 176.519 0.141 0.000 1.208 63 W CA 1.812 59.234 57.345 0.128 0.000 1.286 63 W CB -0.914 28.598 29.460 0.086 0.000 1.167 63 W HN 0.338 nan 8.180 nan 0.000 0.469 64 A N 0.694 123.521 122.820 0.013 0.000 1.940 64 A HA -0.194 4.126 4.320 0.001 0.000 0.221 64 A C 2.283 179.831 177.584 -0.061 0.000 1.190 64 A CA 2.793 54.723 52.037 -0.179 0.000 0.647 64 A CB -1.637 17.288 19.000 -0.125 0.000 0.821 64 A HN 0.480 nan 8.150 nan 0.000 0.457 65 G N -2.386 106.448 108.800 0.058 0.000 2.430 65 G HA2 -0.204 3.756 3.960 0.001 0.000 0.216 65 G HA3 -0.204 3.756 3.960 0.001 0.000 0.216 65 G C 1.495 176.485 174.900 0.150 0.000 1.146 65 G CA 0.763 45.912 45.100 0.081 0.000 0.793 65 G HN 0.714 nan 8.290 nan 0.000 0.537 66 W N 2.615 123.944 121.300 0.049 0.000 2.476 66 W HA -0.052 4.609 4.660 0.001 0.000 0.281 66 W C 2.535 179.105 176.519 0.086 0.000 1.230 66 W CA 1.015 58.410 57.345 0.082 0.000 1.287 66 W CB 0.155 29.697 29.460 0.136 0.000 1.108 66 W HN 0.332 nan 8.180 nan 0.000 0.567 67 R N 0.100 120.619 120.500 0.032 0.000 2.200 67 R HA -0.052 4.288 4.340 0.001 0.000 0.208 67 R C 2.205 178.406 176.300 -0.167 0.000 1.033 67 R CA 1.177 57.221 56.100 -0.094 0.000 1.000 67 R CB -1.050 29.214 30.300 -0.061 0.000 0.906 67 R HN 0.158 nan 8.270 nan 0.000 0.462 68 M N 1.327 120.840 119.600 -0.144 0.000 2.394 68 M HA 0.051 4.531 4.480 0.001 0.000 0.264 68 M C -0.198 176.025 176.300 -0.129 0.000 1.073 68 M CA 0.998 56.223 55.300 -0.125 0.000 1.111 68 M CB 0.232 32.775 32.600 -0.094 0.000 1.401 68 M HN 0.057 nan 8.290 nan 0.000 0.448 69 K N 1.479 121.772 120.400 -0.178 0.000 2.336 69 K HA 0.039 4.360 4.320 0.001 0.000 0.262 69 K C 0.462 176.949 176.600 -0.188 0.000 0.992 69 K CA 0.234 56.406 56.287 -0.192 0.000 0.927 69 K CB 0.253 32.578 32.500 -0.291 0.000 0.956 69 K HN 0.243 nan 8.250 nan 0.000 0.495 70 T N -1.455 113.014 114.554 -0.142 0.000 2.913 70 T HA 0.209 4.559 4.350 0.001 0.000 0.297 70 T C 1.339 175.954 174.700 -0.143 0.000 1.029 70 T CA -0.319 61.711 62.100 -0.118 0.000 1.104 70 T CB 1.460 70.281 68.868 -0.079 0.000 0.964 70 T HN 0.568 nan 8.240 nan 0.000 0.532 71 A N 2.333 125.084 122.820 -0.116 0.000 1.927 71 A HA -0.163 4.157 4.320 0.001 0.000 0.220 71 A C 2.368 179.902 177.584 -0.084 0.000 1.185 71 A CA 2.209 54.184 52.037 -0.104 0.000 0.639 71 A CB -0.989 17.972 19.000 -0.064 0.000 0.820 71 A HN 0.992 nan 8.150 nan 0.000 0.451 72 K N -0.385 119.975 120.400 -0.067 0.000 2.032 72 K HA -0.214 4.107 4.320 0.001 0.000 0.209 72 K C 2.006 178.582 176.600 -0.040 0.000 1.048 72 K CA 1.907 58.166 56.287 -0.046 0.000 0.927 72 K CB -0.194 32.282 32.500 -0.040 0.000 0.712 72 K HN 0.670 nan 8.250 nan 0.000 0.441 73 E N -0.197 119.966 120.200 -0.063 0.000 2.058 73 E HA -0.204 4.147 4.350 0.001 0.000 0.194 73 E C 2.172 178.738 176.600 -0.058 0.000 0.997 73 E CA 1.282 57.649 56.400 -0.056 0.000 0.801 73 E CB -0.011 29.641 29.700 -0.080 0.000 0.746 73 E HN 0.240 nan 8.360 nan 0.000 0.450 74 R N 0.288 120.698 120.500 -0.150 0.000 2.091 74 R HA -0.158 4.182 4.340 0.001 0.000 0.238 74 R C 2.388 178.727 176.300 0.064 0.000 1.136 74 R CA 1.234 57.246 56.100 -0.148 0.000 0.959 74 R CB -0.375 29.723 30.300 -0.337 0.000 0.856 74 R HN 0.133 nan 8.270 nan 0.000 0.437 75 A N 1.115 123.957 122.820 0.036 0.000 1.933 75 A HA -0.107 4.213 4.320 0.001 0.000 0.218 75 A C 2.362 180.007 177.584 0.101 0.000 1.175 75 A CA 1.654 53.734 52.037 0.072 0.000 0.628 75 A CB -0.561 18.448 19.000 0.016 0.000 0.814 75 A HN 0.416 nan 8.150 nan 0.000 0.444 76 A N 0.061 122.930 122.820 0.081 0.000 1.902 76 A HA -0.079 4.241 4.320 0.001 0.000 0.217 76 A C 2.101 179.775 177.584 0.149 0.000 1.181 76 A CA 1.482 53.578 52.037 0.099 0.000 0.623 76 A CB -0.621 18.420 19.000 0.069 0.000 0.818 76 A HN 0.495 nan 8.150 nan 0.000 0.443 77 I N -0.582 120.089 120.570 0.168 0.000 2.208 77 I HA -0.283 3.887 4.170 0.001 0.000 0.245 77 I C 2.427 178.718 176.117 0.291 0.000 1.097 77 I CA 1.240 62.673 61.300 0.221 0.000 1.363 77 I CB -0.314 37.851 38.000 0.276 0.000 1.051 77 I HN 0.293 nan 8.210 nan 0.000 0.413 78 L N 0.065 121.480 121.223 0.319 0.000 2.056 78 L HA -0.182 4.159 4.340 0.001 0.000 0.207 78 L C 2.754 179.851 176.870 0.379 0.000 1.078 78 L CA 1.174 56.261 54.840 0.412 0.000 0.749 78 L CB -0.396 41.879 42.059 0.360 0.000 0.901 78 L HN 0.146 nan 8.230 nan 0.000 0.433 79 R N -0.112 120.550 120.500 0.271 0.000 2.096 79 R HA -0.150 4.190 4.340 0.001 0.000 0.235 79 R C 2.440 178.939 176.300 0.332 0.000 1.127 79 R CA 1.284 57.551 56.100 0.278 0.000 0.968 79 R CB -0.040 30.368 30.300 0.180 0.000 0.861 79 R HN 0.225 nan 8.270 nan 0.000 0.440 80 R N -0.988 119.678 120.500 0.277 0.000 2.081 80 R HA -0.199 4.141 4.340 0.001 0.000 0.235 80 R C 1.923 178.414 176.300 0.318 0.000 1.131 80 R CA 1.582 57.831 56.100 0.247 0.000 0.960 80 R CB -0.465 29.954 30.300 0.197 0.000 0.856 80 R HN 0.362 nan 8.270 nan 0.000 0.436 81 W N 1.043 122.437 121.300 0.157 0.000 2.402 81 W HA -0.193 4.467 4.660 0.001 0.000 0.286 81 W C 1.798 178.427 176.519 0.184 0.000 1.221 81 W CA 0.651 58.085 57.345 0.148 0.000 1.257 81 W CB -0.633 28.914 29.460 0.144 0.000 1.120 81 W HN -0.005 nan 8.180 nan 0.000 0.551 82 F N 1.815 121.809 119.950 0.074 0.000 2.051 82 F HA -0.214 4.314 4.527 0.001 0.000 0.296 82 F C 2.179 177.984 175.800 0.009 0.000 1.122 82 F CA 2.575 60.542 58.000 -0.054 0.000 1.201 82 F CB -0.906 38.092 39.000 -0.004 0.000 0.978 82 F HN -0.280 nan 8.300 nan 0.000 0.472 83 D N 0.826 121.181 120.400 -0.076 0.000 2.116 83 D HA -0.211 4.429 4.640 0.001 0.000 0.193 83 D C 2.490 178.712 176.300 -0.130 0.000 0.998 83 D CA 1.851 55.741 54.000 -0.183 0.000 0.836 83 D CB -0.639 40.181 40.800 0.032 0.000 0.951 83 D HN 0.354 nan 8.370 nan 0.000 0.449 84 L N 0.368 121.602 121.223 0.018 0.000 2.042 84 L HA -0.172 4.168 4.340 0.001 0.000 0.210 84 L C 2.632 179.514 176.870 0.021 0.000 1.076 84 L CA 0.667 55.549 54.840 0.069 0.000 0.749 84 L CB -0.377 41.799 42.059 0.195 0.000 0.893 84 L HN -0.057 nan 8.230 nan 0.000 0.432 85 V N -0.234 119.664 119.914 -0.027 0.000 2.407 85 V HA -0.277 3.844 4.120 0.001 0.000 0.248 85 V C 2.373 178.392 176.094 -0.125 0.000 1.055 85 V CA 1.330 63.590 62.300 -0.066 0.000 1.049 85 V CB -0.315 31.420 31.823 -0.148 0.000 0.662 85 V HN 0.289 nan 8.190 nan 0.000 0.455 86 I N 0.419 120.834 120.570 -0.258 0.000 2.202 86 I HA -0.166 4.004 4.170 0.001 0.000 0.242 86 I C 2.763 178.802 176.117 -0.130 0.000 1.091 86 I CA 1.779 62.930 61.300 -0.249 0.000 1.368 86 I CB -1.633 36.098 38.000 -0.448 0.000 1.058 86 I HN 0.299 nan 8.210 nan 0.000 0.410 87 A N 1.212 123.966 122.820 -0.109 0.000 1.884 87 A HA -0.225 4.095 4.320 0.001 0.000 0.219 87 A C 1.696 179.263 177.584 -0.028 0.000 1.197 87 A CA 1.954 53.961 52.037 -0.050 0.000 0.637 87 A CB -0.818 18.167 19.000 -0.024 0.000 0.827 87 A HN 0.523 nan 8.150 nan 0.000 0.450 88 N N -0.048 118.641 118.700 -0.018 0.000 2.389 88 N HA 0.065 4.805 4.740 0.001 0.000 0.237 88 N C 1.127 176.635 175.510 -0.004 0.000 1.148 88 N CA 0.673 53.721 53.050 -0.003 0.000 0.854 88 N CB 0.482 38.980 38.487 0.018 0.000 1.115 88 N HN 0.521 nan 8.380 nan 0.000 0.492 89 S N 1.690 117.382 115.700 -0.013 0.000 2.348 89 S HA -0.158 4.312 4.470 0.001 0.000 0.221 89 S C 1.085 175.689 174.600 0.007 0.000 1.033 89 S CA 1.487 59.685 58.200 -0.003 0.000 1.010 89 S CB 0.067 63.261 63.200 -0.009 0.000 0.891 89 S HN 0.262 nan 8.310 nan 0.000 0.442 90 D N 1.235 121.635 120.400 0.000 0.000 2.219 90 D HA -0.042 4.598 4.640 0.001 0.000 0.205 90 D C 1.628 177.927 176.300 -0.002 0.000 0.970 90 D CA 1.117 55.117 54.000 0.001 0.000 0.851 90 D CB -0.211 40.587 40.800 -0.003 0.000 0.943 90 D HN 0.436 nan 8.370 nan 0.000 0.488 91 D N 0.275 120.671 120.400 -0.008 0.000 2.085 91 D HA -0.051 4.589 4.640 0.001 0.000 0.199 91 D C 2.280 178.577 176.300 -0.005 0.000 0.981 91 D CA 0.549 54.539 54.000 -0.017 0.000 0.834 91 D CB -0.304 40.479 40.800 -0.029 0.000 0.992 91 D HN 0.205 nan 8.370 nan 0.000 0.457 92 L N 1.078 122.309 121.223 0.012 0.000 2.079 92 L HA -0.191 4.150 4.340 0.001 0.000 0.210 92 L C 2.588 179.483 176.870 0.041 0.000 1.081 92 L CA 1.223 56.085 54.840 0.036 0.000 0.752 92 L CB -0.387 41.704 42.059 0.054 0.000 0.896 92 L HN -0.026 nan 8.230 nan 0.000 0.433 93 A N -0.354 122.486 122.820 0.034 0.000 1.898 93 A HA -0.199 4.121 4.320 0.001 0.000 0.216 93 A C 2.198 179.797 177.584 0.026 0.000 1.181 93 A CA 1.535 53.594 52.037 0.036 0.000 0.620 93 A CB -0.609 18.410 19.000 0.032 0.000 0.819 93 A HN 0.312 nan 8.150 nan 0.000 0.442 94 L N -0.001 121.229 121.223 0.012 0.000 2.093 94 L HA -0.063 4.278 4.340 0.001 0.000 0.208 94 L C 2.197 179.066 176.870 -0.002 0.000 1.085 94 L CA 1.498 56.339 54.840 0.001 0.000 0.755 94 L CB -0.384 41.667 42.059 -0.012 0.000 0.904 94 L HN 0.448 nan 8.230 nan 0.000 0.435 95 I N -1.310 119.258 120.570 -0.002 0.000 2.113 95 I HA -0.330 3.840 4.170 0.001 0.000 0.238 95 I C 2.456 178.603 176.117 0.049 0.000 1.070 95 I CA 1.478 62.778 61.300 -0.001 0.000 1.332 95 I CB -0.454 37.549 38.000 0.006 0.000 1.044 95 I HN 0.248 nan 8.210 nan 0.000 0.402 96 L N 0.404 121.664 121.223 0.063 0.000 2.013 96 L HA -0.286 4.054 4.340 0.001 0.000 0.212 96 L C 2.641 179.544 176.870 0.055 0.000 1.073 96 L CA 1.946 56.830 54.840 0.074 0.000 0.753 96 L CB -0.407 41.692 42.059 0.067 0.000 0.890 96 L HN 0.284 nan 8.230 nan 0.000 0.432 97 T N -1.378 113.199 114.554 0.038 0.000 2.788 97 T HA -0.163 4.187 4.350 0.001 0.000 0.268 97 T C 1.697 176.416 174.700 0.032 0.000 1.044 97 T CA 1.760 63.878 62.100 0.030 0.000 1.139 97 T CB -0.317 68.566 68.868 0.025 0.000 0.867 97 T HN 0.475 nan 8.240 nan 0.000 0.454 98 T N 2.435 117.007 114.554 0.031 0.000 2.708 98 T HA -0.134 4.216 4.350 0.001 0.000 0.266 98 T C 2.045 176.781 174.700 0.060 0.000 1.037 98 T CA 1.612 63.729 62.100 0.029 0.000 1.146 98 T CB -0.263 68.603 68.868 -0.004 0.000 0.865 98 T HN 0.766 nan 8.240 nan 0.000 0.435 99 E N 0.280 120.539 120.200 0.098 0.000 2.190 99 E HA 0.006 4.356 4.350 0.001 0.000 0.191 99 E C 2.311 178.965 176.600 0.091 0.000 0.978 99 E CA 0.373 56.860 56.400 0.144 0.000 0.839 99 E CB -0.075 29.784 29.700 0.265 0.000 0.787 99 E HN 0.232 nan 8.360 nan 0.000 0.473 100 Q N 0.270 120.114 119.800 0.074 0.000 2.178 100 Q HA 0.066 4.406 4.340 0.001 0.000 0.195 100 Q C 1.398 177.409 176.000 0.018 0.000 0.960 100 Q CA 1.804 57.646 55.803 0.064 0.000 0.843 100 Q CB 0.894 29.675 28.738 0.072 0.000 0.927 100 Q HN 0.486 nan 8.270 nan 0.000 0.487 101 G N 1.204 110.007 108.800 0.005 0.000 2.336 101 G HA2 -0.213 3.747 3.960 0.001 0.000 0.194 101 G HA3 -0.213 3.747 3.960 0.001 0.000 0.194 101 G C -0.123 174.771 174.900 -0.011 0.000 0.999 101 G CA 0.106 45.188 45.100 -0.031 0.000 0.669 101 G HN 0.385 nan 8.290 nan 0.000 0.482 102 K N 1.493 121.891 120.400 -0.004 0.000 2.382 102 K HA 0.519 4.840 4.320 0.001 0.000 0.275 102 K C -2.491 174.119 176.600 0.017 0.000 1.009 102 K CA -1.348 54.939 56.287 -0.001 0.000 0.970 102 K CB 0.599 33.071 32.500 -0.046 0.000 0.934 102 K HN 0.030 nan 8.250 nan 0.000 0.479 103 P HA -0.179 nan 4.420 nan 0.000 0.267 103 P C 0.651 177.968 177.300 0.028 0.000 1.175 103 P CA 0.249 63.371 63.100 0.037 0.000 0.763 103 P CB 0.407 32.130 31.700 0.037 0.000 0.795 104 L N 2.411 123.651 121.223 0.028 0.000 2.083 104 L HA -0.246 4.094 4.340 0.001 0.000 0.209 104 L C 2.130 179.016 176.870 0.026 0.000 1.083 104 L CA 1.972 56.826 54.840 0.025 0.000 0.752 104 L CB -0.638 41.434 42.059 0.020 0.000 0.899 104 L HN 0.437 nan 8.230 nan 0.000 0.433 105 A N -0.222 122.613 122.820 0.026 0.000 1.877 105 A HA -0.254 4.066 4.320 0.001 0.000 0.216 105 A C 2.037 179.642 177.584 0.036 0.000 1.186 105 A CA 1.764 53.818 52.037 0.028 0.000 0.620 105 A CB -0.509 18.506 19.000 0.025 0.000 0.822 105 A HN 0.489 nan 8.150 nan 0.000 0.443 106 E N -0.340 119.881 120.200 0.035 0.000 2.118 106 E HA -0.137 4.213 4.350 0.001 0.000 0.195 106 E C 2.281 178.910 176.600 0.047 0.000 0.992 106 E CA 0.880 57.304 56.400 0.040 0.000 0.804 106 E CB -0.284 29.430 29.700 0.023 0.000 0.741 106 E HN 0.635 nan 8.360 nan 0.000 0.458 107 A N 1.797 124.638 122.820 0.036 0.000 1.902 107 A HA -0.209 4.111 4.320 0.001 0.000 0.217 107 A C 1.955 179.579 177.584 0.068 0.000 1.181 107 A CA 1.360 53.423 52.037 0.045 0.000 0.623 107 A CB -0.233 18.787 19.000 0.034 0.000 0.818 107 A HN 0.049 nan 8.150 nan 0.000 0.443 108 K N -0.683 119.751 120.400 0.056 0.000 2.148 108 K HA -0.070 4.250 4.320 0.001 0.000 0.204 108 K C 2.129 178.777 176.600 0.080 0.000 1.050 108 K CA 0.913 57.235 56.287 0.058 0.000 0.942 108 K CB -0.419 32.105 32.500 0.040 0.000 0.724 108 K HN 0.462 nan 8.250 nan 0.000 0.446 109 G N 1.900 110.749 108.800 0.082 0.000 2.446 109 G HA2 -0.332 3.628 3.960 0.001 0.000 0.217 109 G HA3 -0.332 3.628 3.960 0.001 0.000 0.217 109 G C 1.391 176.391 174.900 0.167 0.000 1.168 109 G CA 1.038 46.196 45.100 0.097 0.000 0.771 109 G HN 0.434 nan 8.290 nan 0.000 0.551 110 E N -0.050 120.276 120.200 0.210 0.000 2.110 110 E HA -0.131 4.220 4.350 0.001 0.000 0.193 110 E C 2.470 179.253 176.600 0.306 0.000 0.988 110 E CA 0.797 57.407 56.400 0.351 0.000 0.804 110 E CB -0.079 29.824 29.700 0.338 0.000 0.745 110 E HN 0.353 nan 8.360 nan 0.000 0.458 111 I N 1.388 122.072 120.570 0.191 0.000 2.202 111 I HA -0.198 3.973 4.170 0.001 0.000 0.242 111 I C 2.637 178.840 176.117 0.143 0.000 1.091 111 I CA 1.295 62.679 61.300 0.141 0.000 1.368 111 I CB -1.839 36.211 38.000 0.083 0.000 1.058 111 I HN 0.173 nan 8.210 nan 0.000 0.410 112 A N 0.658 123.563 122.820 0.141 0.000 1.873 112 A HA -0.313 4.007 4.320 0.001 0.000 0.218 112 A C 2.396 180.101 177.584 0.202 0.000 1.193 112 A CA 1.965 54.088 52.037 0.144 0.000 0.629 112 A CB -1.375 17.695 19.000 0.117 0.000 0.826 112 A HN 0.435 nan 8.150 nan 0.000 0.447 113 Y N 0.529 120.872 120.300 0.072 0.000 2.014 113 Y HA -0.269 4.281 4.550 0.001 0.000 0.272 113 Y C 2.861 178.863 175.900 0.170 0.000 1.164 113 Y CA 1.548 59.684 58.100 0.061 0.000 1.114 113 Y CB -1.158 37.375 38.460 0.123 0.000 0.961 113 Y HN 0.351 nan 8.280 nan 0.000 0.489 114 A N 0.284 123.255 122.820 0.251 0.000 1.903 114 A HA -0.262 4.059 4.320 0.001 0.000 0.219 114 A C 2.499 180.160 177.584 0.128 0.000 1.191 114 A CA 2.962 55.097 52.037 0.163 0.000 0.638 114 A CB -1.667 17.401 19.000 0.113 0.000 0.823 114 A HN 0.685 nan 8.150 nan 0.000 0.451 115 A N -0.051 122.846 122.820 0.129 0.000 1.933 115 A HA -0.076 4.244 4.320 0.001 0.000 0.218 115 A C 2.500 180.268 177.584 0.308 0.000 1.175 115 A CA 2.376 54.544 52.037 0.219 0.000 0.628 115 A CB -0.965 18.151 19.000 0.193 0.000 0.814 115 A HN 1.144 nan 8.150 nan 0.000 0.444 116 S N -1.114 114.672 115.700 0.144 0.000 2.402 116 S HA -0.108 4.363 4.470 0.001 0.000 0.229 116 S C 1.690 176.221 174.600 -0.114 0.000 1.021 116 S CA 1.288 59.467 58.200 -0.035 0.000 0.974 116 S CB -0.738 62.381 63.200 -0.135 0.000 0.800 116 S HN 0.353 nan 8.310 nan 0.000 0.484 117 F N 1.852 121.793 119.950 -0.016 0.000 2.146 117 F HA 0.191 4.718 4.527 0.001 0.000 0.298 117 F C 2.202 178.127 175.800 0.209 0.000 1.096 117 F CA 0.724 58.776 58.000 0.087 0.000 1.275 117 F CB -0.488 38.522 39.000 0.016 0.000 1.008 117 F HN 0.185 nan 8.300 nan 0.000 0.480 118 I N -0.316 120.392 120.570 0.229 0.000 2.202 118 I HA -0.264 3.907 4.170 0.001 0.000 0.242 118 I C 2.493 178.643 176.117 0.055 0.000 1.091 118 I CA 1.529 62.893 61.300 0.108 0.000 1.368 118 I CB -0.574 37.334 38.000 -0.153 0.000 1.058 118 I HN 0.164 nan 8.210 nan 0.000 0.410 119 E N 1.007 121.112 120.200 -0.159 0.000 2.058 119 E HA -0.289 4.062 4.350 0.001 0.000 0.194 119 E C 2.190 178.688 176.600 -0.170 0.000 0.997 119 E CA 1.738 57.871 56.400 -0.445 0.000 0.801 119 E CB -0.276 28.874 29.700 -0.917 0.000 0.746 119 E HN 0.595 nan 8.360 nan 0.000 0.450 120 W N 0.286 121.437 121.300 -0.247 0.000 2.333 120 W HA -0.240 4.421 4.660 0.001 0.000 0.316 120 W C 1.664 178.029 176.519 -0.258 0.000 1.215 120 W CA 1.241 58.411 57.345 -0.292 0.000 1.278 120 W CB -0.518 28.689 29.460 -0.423 0.000 1.154 120 W HN 0.123 nan 8.180 nan 0.000 0.486 121 F N 0.919 120.931 119.950 0.103 0.000 2.407 121 F HA -0.058 4.469 4.527 0.001 0.000 0.299 121 F C 2.641 178.412 175.800 -0.048 0.000 1.097 121 F CA 1.581 59.597 58.000 0.027 0.000 1.422 121 F CB -1.263 37.816 39.000 0.132 0.000 1.067 121 F HN -0.114 nan 8.300 nan 0.000 0.539 122 A N 0.462 123.342 122.820 0.100 0.000 1.851 122 A HA -0.232 4.088 4.320 0.001 0.000 0.216 122 A C 2.131 179.668 177.584 -0.078 0.000 1.195 122 A CA 1.965 54.027 52.037 0.041 0.000 0.622 122 A CB -0.872 18.144 19.000 0.028 0.000 0.831 122 A HN 0.418 nan 8.150 nan 0.000 0.444 123 E N -0.447 119.627 120.200 -0.210 0.000 2.085 123 E HA -0.208 4.142 4.350 0.001 0.000 0.194 123 E C 1.982 178.377 176.600 -0.342 0.000 0.994 123 E CA 1.186 57.401 56.400 -0.307 0.000 0.801 123 E CB -0.176 29.253 29.700 -0.452 0.000 0.743 123 E HN 0.492 nan 8.360 nan 0.000 0.453 124 E N 0.164 120.102 120.200 -0.437 0.000 2.153 124 E HA -0.120 4.230 4.350 0.001 0.000 0.194 124 E C 2.196 178.743 176.600 -0.088 0.000 0.988 124 E CA 1.007 57.217 56.400 -0.316 0.000 0.811 124 E CB -0.395 29.130 29.700 -0.291 0.000 0.746 124 E HN 0.389 nan 8.360 nan 0.000 0.466 125 G N 1.296 110.081 108.800 -0.025 0.000 2.443 125 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 125 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 125 G C 1.333 176.222 174.900 -0.018 0.000 1.131 125 G CA 0.422 45.534 45.100 0.020 0.000 0.775 125 G HN 0.261 nan 8.290 nan 0.000 0.547 126 K N -0.175 120.191 120.400 -0.055 0.000 2.505 126 K HA 0.193 4.513 4.320 0.001 0.000 0.192 126 K C 1.596 178.160 176.600 -0.059 0.000 1.025 126 K CA 0.137 56.389 56.287 -0.059 0.000 1.086 126 K CB 0.308 32.765 32.500 -0.071 0.000 0.840 126 K HN 0.176 nan 8.250 nan 0.000 0.514 127 R N 0.018 120.483 120.500 -0.058 0.000 2.531 127 R HA 0.133 4.473 4.340 0.001 0.000 0.316 127 R C -0.289 175.997 176.300 -0.025 0.000 0.955 127 R CA -0.199 55.865 56.100 -0.060 0.000 1.120 127 R CB 0.972 31.209 30.300 -0.105 0.000 1.361 127 R HN -0.123 nan 8.270 nan 0.000 0.534 128 V N 2.524 122.443 119.914 0.008 0.000 2.611 128 V HA -0.050 4.071 4.120 0.001 0.000 0.296 128 V C 0.248 176.357 176.094 0.025 0.000 1.006 128 V CA 0.595 62.919 62.300 0.041 0.000 1.194 128 V CB 0.154 32.016 31.823 0.064 0.000 0.871 128 V HN 0.261 nan 8.190 nan 0.000 0.470 129 A N 5.225 128.060 122.820 0.024 0.000 2.319 129 A HA 0.819 5.140 4.320 0.001 0.000 0.310 129 A C 0.427 178.025 177.584 0.024 0.000 1.152 129 A CA 0.065 52.108 52.037 0.011 0.000 0.783 129 A CB 1.410 20.402 19.000 -0.014 0.000 1.184 129 A HN 0.896 nan 8.150 nan 0.000 0.474 130 G N 0.993 109.809 108.800 0.027 0.000 2.531 130 G HA2 0.637 4.597 3.960 0.001 0.000 0.253 130 G HA3 0.637 4.597 3.960 0.001 0.000 0.253 130 G C -0.770 174.144 174.900 0.023 0.000 1.439 130 G CA 0.173 45.294 45.100 0.034 0.000 1.056 130 G HN 0.918 nan 8.290 nan 0.000 0.555 131 D N -2.620 117.798 120.400 0.029 0.000 2.653 131 D HA 0.433 5.073 4.640 0.001 0.000 0.258 131 D C -0.778 175.540 176.300 0.030 0.000 1.252 131 D CA -0.591 53.422 54.000 0.022 0.000 0.777 131 D CB 0.807 41.616 40.800 0.015 0.000 1.339 131 D HN 0.581 nan 8.370 nan 0.000 0.422 132 T N -1.041 113.526 114.554 0.023 0.000 2.770 132 T HA 0.692 5.042 4.350 0.001 0.000 0.283 132 T C -0.078 174.635 174.700 0.021 0.000 0.988 132 T CA -0.809 61.307 62.100 0.027 0.000 0.957 132 T CB 0.361 69.242 68.868 0.021 0.000 0.930 132 T HN 0.385 nan 8.240 nan 0.000 0.443 133 L N 3.553 124.791 121.223 0.026 0.000 2.334 133 L HA 0.570 4.910 4.340 0.001 0.000 0.272 133 L C -2.231 174.648 176.870 0.014 0.000 1.020 133 L CA -2.731 52.116 54.840 0.012 0.000 0.812 133 L CB 1.579 43.638 42.059 -0.002 0.000 1.264 133 L HN 0.438 nan 8.230 nan 0.000 0.439 134 P HA 0.067 nan 4.420 nan 0.000 0.271 134 P C -0.250 177.055 177.300 0.009 0.000 1.226 134 P CA -0.151 62.953 63.100 0.008 0.000 0.765 134 P CB 0.716 32.418 31.700 0.003 0.000 0.835 135 T N 3.872 118.436 114.554 0.016 0.000 2.926 135 T HA 0.191 4.541 4.350 0.001 0.000 0.307 135 T C -1.116 173.591 174.700 0.013 0.000 1.059 135 T CA -1.116 60.997 62.100 0.022 0.000 1.122 135 T CB -0.069 68.817 68.868 0.029 0.000 0.972 135 T HN 0.343 nan 8.240 nan 0.000 0.545 136 P HA 0.310 nan 4.420 nan 0.000 0.261 136 P C -0.600 176.708 177.300 0.014 0.000 1.268 136 P CA 0.120 63.226 63.100 0.009 0.000 0.833 136 P CB 0.364 32.066 31.700 0.003 0.000 1.231 137 D N -0.588 119.824 120.400 0.021 0.000 2.686 137 D HA 0.486 5.126 4.640 0.001 0.000 0.249 137 D C 1.028 177.341 176.300 0.020 0.000 1.260 137 D CA -0.569 53.443 54.000 0.021 0.000 0.910 137 D CB 1.778 42.594 40.800 0.028 0.000 1.323 137 D HN -0.157 nan 8.370 nan 0.000 0.561 138 A N 3.878 126.707 122.820 0.015 0.000 1.940 138 A HA -0.212 4.109 4.320 0.001 0.000 0.219 138 A C 1.661 179.253 177.584 0.014 0.000 1.176 138 A CA 1.185 53.229 52.037 0.013 0.000 0.631 138 A CB -0.346 18.659 19.000 0.009 0.000 0.814 138 A HN 0.645 nan 8.150 nan 0.000 0.446 139 N N -0.101 118.608 118.700 0.014 0.000 2.609 139 N HA 0.014 4.755 4.740 0.001 0.000 0.190 139 N C 0.018 175.538 175.510 0.016 0.000 1.157 139 N CA 0.830 53.887 53.050 0.013 0.000 0.918 139 N CB -0.005 38.489 38.487 0.011 0.000 0.978 139 N HN 0.566 nan 8.380 nan 0.000 0.448 140 K N -0.253 120.160 120.400 0.023 0.000 2.482 140 K HA 0.480 4.800 4.320 0.001 0.000 0.257 140 K C -0.814 175.809 176.600 0.037 0.000 0.969 140 K CA -0.742 55.563 56.287 0.030 0.000 0.842 140 K CB 1.849 34.376 32.500 0.044 0.000 1.359 140 K HN -0.273 nan 8.250 nan 0.000 0.441 141 R N 1.167 121.692 120.500 0.043 0.000 2.686 141 R HA 0.528 4.868 4.340 0.001 0.000 0.286 141 R C -1.097 175.257 176.300 0.089 0.000 0.969 141 R CA -0.618 55.512 56.100 0.051 0.000 0.898 141 R CB 1.017 31.336 30.300 0.031 0.000 1.183 141 R HN 0.533 nan 8.270 nan 0.000 0.456 142 I N 3.107 123.743 120.570 0.109 0.000 2.328 142 I HA 0.357 4.528 4.170 0.001 0.000 0.287 142 I C -0.603 175.600 176.117 0.143 0.000 1.012 142 I CA -0.798 60.616 61.300 0.189 0.000 1.195 142 I CB 1.447 39.538 38.000 0.152 0.000 1.350 142 I HN 0.081 nan 8.210 nan 0.000 0.464 143 V N 7.282 127.290 119.914 0.158 0.000 2.495 143 V HA 0.490 4.610 4.120 0.001 0.000 0.298 143 V C -0.171 176.011 176.094 0.146 0.000 1.031 143 V CA -0.713 61.650 62.300 0.105 0.000 0.871 143 V CB 2.159 34.013 31.823 0.052 0.000 0.988 143 V HN 0.358 nan 8.190 nan 0.000 0.432 144 V N 5.302 125.282 119.914 0.110 0.000 2.531 144 V HA 0.681 4.801 4.120 0.001 0.000 0.301 144 V C -0.116 176.022 176.094 0.072 0.000 1.034 144 V CA -0.580 61.788 62.300 0.113 0.000 0.865 144 V CB 1.786 33.670 31.823 0.101 0.000 0.995 144 V HN 0.780 nan 8.190 nan 0.000 0.424 145 V N 2.159 122.114 119.914 0.069 0.000 3.166 145 V HA 0.779 4.899 4.120 0.001 0.000 0.317 145 V C -0.667 175.465 176.094 0.064 0.000 1.136 145 V CA -1.062 61.270 62.300 0.053 0.000 1.035 145 V CB 2.234 34.080 31.823 0.038 0.000 1.110 145 V HN 0.807 nan 8.190 nan 0.000 0.450 146 K N 1.135 121.572 120.400 0.062 0.000 2.378 146 K HA 0.636 4.956 4.320 0.001 0.000 0.252 146 K C -1.233 175.417 176.600 0.084 0.000 0.931 146 K CA -0.542 55.792 56.287 0.079 0.000 0.794 146 K CB 2.351 34.901 32.500 0.083 0.000 1.181 146 K HN 0.992 nan 8.250 nan 0.000 0.425 147 E N 2.095 122.359 120.200 0.107 0.000 2.340 147 E HA 0.428 4.778 4.350 0.001 0.000 0.273 147 E C -2.863 173.853 176.600 0.193 0.000 0.891 147 E CA -2.639 53.840 56.400 0.131 0.000 0.757 147 E CB 1.778 31.544 29.700 0.111 0.000 1.231 147 E HN 0.145 nan 8.360 nan 0.000 0.439 148 P HA -0.066 nan 4.420 nan 0.000 0.265 148 P C 0.488 177.975 177.300 0.311 0.000 1.187 148 P CA 0.196 63.483 63.100 0.312 0.000 0.766 148 P CB 0.955 32.932 31.700 0.462 0.000 0.820 149 I N 0.883 121.546 120.570 0.154 0.000 2.315 149 I HA -0.040 4.131 4.170 0.001 0.000 0.248 149 I C 1.110 177.161 176.117 -0.110 0.000 1.117 149 I CA 2.001 63.337 61.300 0.060 0.000 1.404 149 I CB -0.327 37.676 38.000 0.005 0.000 1.071 149 I HN 0.721 nan 8.210 nan 0.000 0.419 150 G N -0.632 107.887 108.800 -0.468 0.000 2.236 150 G HA2 -0.082 3.878 3.960 0.001 0.000 0.231 150 G HA3 -0.082 3.878 3.960 0.001 0.000 0.231 150 G C -0.890 173.489 174.900 -0.867 0.000 1.334 150 G CA -0.258 44.095 45.100 -1.246 0.000 1.137 150 G HN -0.031 nan 8.290 nan 0.000 0.482 151 V N 0.711 120.254 119.914 -0.619 0.000 2.521 151 V HA 0.399 4.519 4.120 0.001 0.000 0.286 151 V C 0.695 176.659 176.094 -0.216 0.000 1.034 151 V CA -0.139 61.944 62.300 -0.362 0.000 1.045 151 V CB 0.276 31.961 31.823 -0.231 0.000 0.974 151 V HN 0.830 nan 8.190 nan 0.000 0.480 152 C N 4.477 123.685 119.300 -0.153 0.000 2.397 152 C HA 0.934 5.394 4.460 0.001 0.000 0.343 152 C C 0.544 175.506 174.990 -0.047 0.000 1.188 152 C CA -0.546 58.436 59.018 -0.059 0.000 1.992 152 C CB 0.965 28.728 27.740 0.038 0.000 2.358 152 C HN 1.032 nan 8.230 nan 0.000 0.518 153 A N 1.288 124.098 122.820 -0.017 0.000 2.449 153 A HA 0.945 5.265 4.320 0.001 0.000 0.302 153 A C -1.021 176.576 177.584 0.023 0.000 1.048 153 A CA -0.302 51.728 52.037 -0.010 0.000 0.708 153 A CB 1.244 20.233 19.000 -0.020 0.000 1.274 153 A HN 1.567 nan 8.150 nan 0.000 0.410 154 A N 1.728 124.564 122.820 0.028 0.000 2.408 154 A HA 0.705 5.025 4.320 0.001 0.000 0.295 154 A C -1.112 176.506 177.584 0.057 0.000 1.040 154 A CA -0.262 51.803 52.037 0.046 0.000 0.707 154 A CB 0.682 19.700 19.000 0.030 0.000 1.235 154 A HN 0.771 nan 8.150 nan 0.000 0.418 155 I N 3.222 123.854 120.570 0.103 0.000 2.359 155 I HA 0.359 4.529 4.170 0.001 0.000 0.284 155 I C 0.575 176.714 176.117 0.037 0.000 1.018 155 I CA -0.333 61.047 61.300 0.133 0.000 1.173 155 I CB 1.845 40.020 38.000 0.292 0.000 1.326 155 I HN 0.741 nan 8.210 nan 0.000 0.462 156 T N 3.873 118.427 114.554 -0.001 0.000 2.944 156 T HA 0.703 5.053 4.350 0.001 0.000 0.284 156 T C -2.571 172.085 174.700 -0.072 0.000 1.010 156 T CA -1.808 60.249 62.100 -0.072 0.000 1.025 156 T CB 2.101 70.947 68.868 -0.037 0.000 1.079 156 T HN 0.228 nan 8.240 nan 0.000 0.516 157 P HA 0.374 nan 4.420 nan 0.000 0.314 157 P C 0.688 177.934 177.300 -0.090 0.000 1.306 157 P CA -0.893 62.101 63.100 -0.177 0.000 0.782 157 P CB 0.932 32.389 31.700 -0.406 0.000 1.337 158 W N 0.026 121.307 121.300 -0.032 0.000 2.812 158 W HA 0.055 4.715 4.660 0.001 0.000 0.263 158 W C 0.915 177.422 176.519 -0.020 0.000 1.284 158 W CA 0.300 57.631 57.345 -0.024 0.000 1.430 158 W CB -1.612 27.821 29.460 -0.045 0.000 1.088 158 W HN 0.194 nan 8.180 nan 0.000 0.623 159 N N 1.054 119.480 118.700 -0.456 0.000 2.309 159 N HA -0.160 4.581 4.740 0.001 0.000 0.182 159 N C -0.239 175.145 175.510 -0.210 0.000 1.018 159 N CA 0.866 53.704 53.050 -0.353 0.000 0.876 159 N CB -0.709 37.400 38.487 -0.630 0.000 0.972 159 N HN 0.065 nan 8.380 nan 0.000 0.434 160 F N 0.613 120.518 119.950 -0.074 0.000 2.710 160 F HA 0.355 4.882 4.527 0.001 0.000 0.345 160 F C -2.047 173.761 175.800 0.014 0.000 1.362 160 F CA -1.915 56.088 58.000 0.005 0.000 1.175 160 F CB 2.006 41.009 39.000 0.005 0.000 1.561 160 F HN -0.141 nan 8.300 nan 0.000 0.593 161 P HA 0.074 nan 4.420 nan 0.000 0.245 161 P C 0.868 178.245 177.300 0.128 0.000 1.212 161 P CA 0.715 63.890 63.100 0.124 0.000 0.774 161 P CB 0.521 32.297 31.700 0.126 0.000 0.999 162 A N 0.009 122.921 122.820 0.153 0.000 1.993 162 A HA 0.469 4.789 4.320 0.001 0.000 0.202 162 A C 2.242 179.893 177.584 0.112 0.000 1.461 162 A CA 0.833 52.954 52.037 0.140 0.000 0.824 162 A CB -1.122 17.966 19.000 0.147 0.000 1.024 162 A HN 0.088 nan 8.150 nan 0.000 0.507 163 A N -0.177 122.741 122.820 0.163 0.000 1.917 163 A HA -0.182 4.138 4.320 0.001 0.000 0.219 163 A C 2.144 179.631 177.584 -0.162 0.000 1.182 163 A CA 2.142 54.205 52.037 0.043 0.000 0.633 163 A CB -0.610 18.502 19.000 0.185 0.000 0.819 163 A HN 0.397 nan 8.150 nan 0.000 0.448 164 M N -1.122 118.430 119.600 -0.081 0.000 2.202 164 M HA -0.123 4.357 4.480 0.001 0.000 0.262 164 M C 2.047 178.267 176.300 -0.134 0.000 1.063 164 M CA 1.325 56.532 55.300 -0.154 0.000 1.097 164 M CB -1.176 31.378 32.600 -0.076 0.000 1.382 164 M HN 0.388 nan 8.290 nan 0.000 0.413 165 I N 0.251 120.796 120.570 -0.041 0.000 2.193 165 I HA -0.162 4.009 4.170 0.001 0.000 0.240 165 I C 2.612 178.735 176.117 0.010 0.000 1.084 165 I CA 1.351 62.664 61.300 0.022 0.000 1.365 165 I CB -0.860 37.210 38.000 0.117 0.000 1.064 165 I HN 0.204 nan 8.210 nan 0.000 0.410 166 A N 0.441 123.240 122.820 -0.036 0.000 1.927 166 A HA -0.286 4.035 4.320 0.001 0.000 0.220 166 A C 2.453 179.917 177.584 -0.199 0.000 1.185 166 A CA 2.052 54.029 52.037 -0.100 0.000 0.639 166 A CB -0.723 18.219 19.000 -0.097 0.000 0.820 166 A HN 0.352 nan 8.150 nan 0.000 0.451 167 R N -0.862 119.376 120.500 -0.437 0.000 2.092 167 R HA -0.055 4.286 4.340 0.001 0.000 0.231 167 R C 1.947 177.998 176.300 -0.415 0.000 1.119 167 R CA 1.652 57.365 56.100 -0.644 0.000 0.970 167 R CB -0.151 29.642 30.300 -0.844 0.000 0.864 167 R HN 0.503 nan 8.270 nan 0.000 0.440 168 K N -0.581 119.662 120.400 -0.261 0.000 2.348 168 K HA 0.095 4.415 4.320 0.001 0.000 0.194 168 K C 1.686 178.181 176.600 -0.176 0.000 1.052 168 K CA 0.210 56.394 56.287 -0.173 0.000 1.004 168 K CB 0.771 33.229 32.500 -0.071 0.000 0.873 168 K HN -0.038 nan 8.250 nan 0.000 0.523 169 V N 0.468 120.323 119.914 -0.098 0.000 2.599 169 V HA -0.035 4.085 4.120 0.001 0.000 0.245 169 V C 2.203 178.288 176.094 -0.015 0.000 1.046 169 V CA 1.733 64.029 62.300 -0.006 0.000 1.065 169 V CB -0.356 31.585 31.823 0.197 0.000 0.703 169 V HN 0.395 nan 8.190 nan 0.000 0.464 170 G N 2.051 110.826 108.800 -0.042 0.000 2.628 170 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 170 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 170 G C 0.100 174.834 174.900 -0.276 0.000 1.240 170 G CA 1.531 46.610 45.100 -0.035 0.000 0.792 170 G HN 0.527 nan 8.290 nan 0.000 0.593 171 P HA -0.087 nan 4.420 nan 0.000 0.215 171 P C 2.152 179.013 177.300 -0.731 0.000 1.157 171 P CA 2.309 64.817 63.100 -0.986 0.000 0.868 171 P CB -0.325 30.467 31.700 -1.514 0.000 0.788 172 A N 0.023 122.303 122.820 -0.900 0.000 1.873 172 A HA -0.197 4.123 4.320 0.001 0.000 0.218 172 A C 2.313 179.868 177.584 -0.048 0.000 1.193 172 A CA 1.947 53.728 52.037 -0.426 0.000 0.629 172 A CB -1.715 17.154 19.000 -0.219 0.000 0.826 172 A HN 0.080 nan 8.150 nan 0.000 0.447 173 L N -0.396 120.837 121.223 0.016 0.000 2.046 173 L HA -0.133 4.208 4.340 0.001 0.000 0.208 173 L C 3.001 180.125 176.870 0.424 0.000 1.077 173 L CA 1.963 56.977 54.840 0.289 0.000 0.747 173 L CB -1.011 41.177 42.059 0.214 0.000 0.896 173 L HN 0.412 nan 8.230 nan 0.000 0.432 174 A N -0.957 121.991 122.820 0.214 0.000 2.019 174 A HA -0.108 4.213 4.320 0.001 0.000 0.219 174 A C 2.397 180.067 177.584 0.143 0.000 1.164 174 A CA 1.683 53.831 52.037 0.185 0.000 0.644 174 A CB -0.704 18.406 19.000 0.183 0.000 0.805 174 A HN 0.393 nan 8.150 nan 0.000 0.449 175 A N -2.177 120.730 122.820 0.144 0.000 2.072 175 A HA 0.422 4.742 4.320 0.001 0.000 0.216 175 A C 1.676 179.373 177.584 0.188 0.000 1.156 175 A CA 1.375 53.508 52.037 0.161 0.000 0.701 175 A CB -0.409 18.707 19.000 0.193 0.000 0.816 175 A HN 1.814 nan 8.150 nan 0.000 0.458 176 G N -2.338 106.622 108.800 0.266 0.000 2.147 176 G HA2 -0.101 3.859 3.960 0.001 0.000 0.128 176 G HA3 -0.101 3.859 3.960 0.001 0.000 0.128 176 G C -0.234 175.030 174.900 0.608 0.000 1.026 176 G CA -0.254 45.035 45.100 0.315 0.000 0.693 176 G HN 0.558 nan 8.290 nan 0.000 0.499 177 C N 2.110 121.690 119.300 0.467 0.000 2.379 177 C HA 0.776 5.237 4.460 0.001 0.000 0.323 177 C C -1.720 173.292 174.990 0.037 0.000 1.262 177 C CA -1.535 57.572 59.018 0.147 0.000 1.581 177 C CB 1.989 29.754 27.740 0.041 0.000 2.221 177 C HN 0.405 nan 8.230 nan 0.000 0.497 178 P HA 0.495 nan 4.420 nan 0.000 0.277 178 P C -0.977 176.210 177.300 -0.188 0.000 1.240 178 P CA -0.112 62.850 63.100 -0.230 0.000 0.798 178 P CB 1.344 32.934 31.700 -0.184 0.000 0.979 179 I N 0.988 121.445 120.570 -0.188 0.000 2.686 179 I HA 0.303 4.473 4.170 0.001 0.000 0.295 179 I C -1.252 174.793 176.117 -0.120 0.000 1.114 179 I CA -1.209 60.014 61.300 -0.127 0.000 1.038 179 I CB 2.276 40.221 38.000 -0.092 0.000 1.238 179 I HN -0.050 nan 8.210 nan 0.000 0.420 180 V N 7.673 127.534 119.914 -0.088 0.000 2.334 180 V HA 0.404 4.524 4.120 0.001 0.000 0.281 180 V C -0.273 175.796 176.094 -0.041 0.000 1.016 180 V CA -0.534 61.720 62.300 -0.076 0.000 0.832 180 V CB 1.349 33.128 31.823 -0.073 0.000 0.999 180 V HN 0.417 nan 8.190 nan 0.000 0.439 181 V N 5.186 125.082 119.914 -0.031 0.000 2.513 181 V HA 0.484 4.604 4.120 0.001 0.000 0.299 181 V C 0.095 176.195 176.094 0.010 0.000 1.035 181 V CA -0.810 61.489 62.300 -0.003 0.000 0.889 181 V CB 2.002 33.828 31.823 0.005 0.000 0.988 181 V HN 0.805 nan 8.190 nan 0.000 0.440 182 K N 7.178 127.594 120.400 0.026 0.000 2.473 182 K HA 0.435 4.756 4.320 0.001 0.000 0.246 182 K C -2.638 173.992 176.600 0.050 0.000 1.011 182 K CA -1.711 54.598 56.287 0.038 0.000 0.984 182 K CB 1.904 34.428 32.500 0.040 0.000 1.250 182 K HN 0.399 nan 8.250 nan 0.000 0.454 183 P HA 0.070 nan 4.420 nan 0.000 0.275 183 P C -0.639 176.701 177.300 0.067 0.000 1.266 183 P CA -0.408 62.726 63.100 0.056 0.000 0.793 183 P CB 0.605 32.338 31.700 0.055 0.000 1.074 184 A N 0.770 123.639 122.820 0.082 0.000 2.388 184 A HA 0.127 4.448 4.320 0.001 0.000 0.257 184 A C 1.200 178.834 177.584 0.083 0.000 1.095 184 A CA -0.158 51.943 52.037 0.107 0.000 0.791 184 A CB -0.280 18.836 19.000 0.192 0.000 1.029 184 A HN 0.463 nan 8.150 nan 0.000 0.489 185 E N 1.069 121.298 120.200 0.048 0.000 2.267 185 E HA -0.100 4.250 4.350 0.001 0.000 0.197 185 E C 1.934 178.562 176.600 0.047 0.000 0.998 185 E CA 1.694 58.104 56.400 0.017 0.000 0.830 185 E CB -0.045 29.524 29.700 -0.218 0.000 0.751 185 E HN 0.583 nan 8.360 nan 0.000 0.491 186 S N -0.682 115.030 115.700 0.020 0.000 2.395 186 S HA -0.031 4.439 4.470 0.001 0.000 0.225 186 S C 0.891 175.498 174.600 0.011 0.000 1.027 186 S CA 1.277 59.464 58.200 -0.022 0.000 0.965 186 S CB 0.139 63.260 63.200 -0.131 0.000 0.812 186 S HN 0.435 nan 8.310 nan 0.000 0.482 187 T N -0.529 114.056 114.554 0.051 0.000 3.542 187 T HA 0.446 4.797 4.350 0.001 0.000 0.276 187 T C -2.727 171.965 174.700 -0.013 0.000 1.412 187 T CA -1.198 60.932 62.100 0.050 0.000 1.664 187 T CB 1.361 70.313 68.868 0.141 0.000 0.863 187 T HN 0.012 nan 8.240 nan 0.000 0.661 188 P HA 0.225 nan 4.420 nan 0.000 0.230 188 P C 0.913 178.095 177.300 -0.195 0.000 1.168 188 P CA -0.037 62.927 63.100 -0.226 0.000 0.793 188 P CB -0.075 31.397 31.700 -0.380 0.000 0.851 189 F N 0.449 120.406 119.950 0.012 0.000 2.084 189 F HA -0.101 4.426 4.527 0.001 0.000 0.296 189 F C 2.464 178.289 175.800 0.040 0.000 1.111 189 F CA 1.328 59.324 58.000 -0.007 0.000 1.224 189 F CB -1.706 37.261 39.000 -0.055 0.000 0.991 189 F HN -0.165 nan 8.300 nan 0.000 0.471 190 S N 0.187 116.027 115.700 0.233 0.000 2.392 190 S HA -0.281 4.190 4.470 0.001 0.000 0.232 190 S C 2.297 176.999 174.600 0.171 0.000 1.041 190 S CA 1.244 59.549 58.200 0.175 0.000 1.026 190 S CB -0.791 62.498 63.200 0.148 0.000 0.845 190 S HN 0.399 nan 8.310 nan 0.000 0.465 191 A N 1.084 123.994 122.820 0.151 0.000 1.872 191 A HA 0.093 4.413 4.320 0.001 0.000 0.214 191 A C 2.117 179.808 177.584 0.178 0.000 1.187 191 A CA 0.953 53.078 52.037 0.146 0.000 0.614 191 A CB -0.609 18.453 19.000 0.104 0.000 0.826 191 A HN 0.441 nan 8.150 nan 0.000 0.442 192 L N -0.531 120.814 121.223 0.203 0.000 2.046 192 L HA -0.183 4.157 4.340 0.001 0.000 0.208 192 L C 3.086 180.172 176.870 0.361 0.000 1.077 192 L CA 1.047 56.073 54.840 0.310 0.000 0.747 192 L CB -0.587 41.693 42.059 0.369 0.000 0.896 192 L HN 0.418 nan 8.230 nan 0.000 0.432 193 A N -0.519 122.460 122.820 0.265 0.000 1.948 193 A HA -0.298 4.023 4.320 0.001 0.000 0.220 193 A C 2.250 180.004 177.584 0.284 0.000 1.177 193 A CA 2.230 54.400 52.037 0.222 0.000 0.636 193 A CB -0.499 18.586 19.000 0.143 0.000 0.815 193 A HN 0.345 nan 8.150 nan 0.000 0.449 194 M N -0.370 119.400 119.600 0.283 0.000 2.175 194 M HA 0.055 4.535 4.480 0.001 0.000 0.264 194 M C 2.199 178.689 176.300 0.317 0.000 1.063 194 M CA 1.446 56.977 55.300 0.385 0.000 1.119 194 M CB -0.539 32.281 32.600 0.368 0.000 1.377 194 M HN 0.400 nan 8.290 nan 0.000 0.415 195 A N -1.207 121.704 122.820 0.152 0.000 1.969 195 A HA -0.156 4.165 4.320 0.001 0.000 0.218 195 A C 2.142 179.618 177.584 -0.181 0.000 1.169 195 A CA 1.306 53.266 52.037 -0.128 0.000 0.635 195 A CB -1.153 17.716 19.000 -0.218 0.000 0.810 195 A HN 0.560 nan 8.150 nan 0.000 0.445 196 F N 0.453 120.441 119.950 0.063 0.000 2.146 196 F HA -0.101 4.427 4.527 0.001 0.000 0.298 196 F C 1.923 177.743 175.800 0.033 0.000 1.096 196 F CA 1.589 59.672 58.000 0.139 0.000 1.275 196 F CB -0.091 38.975 39.000 0.110 0.000 1.008 196 F HN 0.135 nan 8.300 nan 0.000 0.480 197 L N -0.199 121.238 121.223 0.358 0.000 2.046 197 L HA -0.193 4.147 4.340 0.001 0.000 0.208 197 L C 2.806 179.706 176.870 0.050 0.000 1.077 197 L CA 1.041 56.067 54.840 0.310 0.000 0.747 197 L CB -1.249 41.079 42.059 0.448 0.000 0.896 197 L HN 0.201 nan 8.230 nan 0.000 0.432 198 A N -0.011 122.620 122.820 -0.316 0.000 1.948 198 A HA -0.296 4.024 4.320 0.001 0.000 0.220 198 A C 2.291 179.642 177.584 -0.389 0.000 1.177 198 A CA 2.129 53.702 52.037 -0.773 0.000 0.636 198 A CB -0.576 17.760 19.000 -1.107 0.000 0.815 198 A HN 0.525 nan 8.150 nan 0.000 0.449 199 E N -0.504 119.492 120.200 -0.340 0.000 2.031 199 E HA -0.233 4.117 4.350 0.001 0.000 0.193 199 E C 2.287 178.786 176.600 -0.169 0.000 0.994 199 E CA 1.199 57.441 56.400 -0.264 0.000 0.800 199 E CB -0.193 29.267 29.700 -0.398 0.000 0.752 199 E HN 0.572 nan 8.360 nan 0.000 0.447 200 R N -0.325 120.087 120.500 -0.148 0.000 2.193 200 R HA -0.080 4.260 4.340 0.001 0.000 0.229 200 R C 1.988 178.305 176.300 0.029 0.000 1.110 200 R CA 0.974 57.057 56.100 -0.027 0.000 0.988 200 R CB -0.102 30.249 30.300 0.085 0.000 0.871 200 R HN 0.219 nan 8.270 nan 0.000 0.458 201 A N -0.718 122.116 122.820 0.024 0.000 2.016 201 A HA 0.153 4.473 4.320 0.001 0.000 0.217 201 A C 1.392 179.017 177.584 0.068 0.000 1.162 201 A CA 1.125 53.212 52.037 0.084 0.000 0.662 201 A CB 0.090 19.172 19.000 0.137 0.000 0.812 201 A HN 0.490 nan 8.150 nan 0.000 0.450 202 G N -1.949 106.861 108.800 0.017 0.000 2.151 202 G HA2 -0.101 3.860 3.960 0.001 0.000 0.140 202 G HA3 -0.101 3.860 3.960 0.001 0.000 0.140 202 G C -0.006 174.916 174.900 0.037 0.000 1.020 202 G CA -0.130 44.994 45.100 0.040 0.000 0.688 202 G HN 0.680 nan 8.290 nan 0.000 0.500 203 V N 3.674 123.555 119.914 -0.055 0.000 2.390 203 V HA 0.254 4.375 4.120 0.001 0.000 0.260 203 V C -0.770 175.240 176.094 -0.140 0.000 1.043 203 V CA -0.798 61.409 62.300 -0.156 0.000 1.047 203 V CB 0.266 31.886 31.823 -0.339 0.000 1.066 203 V HN 0.341 nan 8.190 nan 0.000 0.481 204 P HA 0.117 nan 4.420 nan 0.000 0.267 204 P C 0.051 177.291 177.300 -0.101 0.000 1.201 204 P CA -0.065 63.016 63.100 -0.031 0.000 0.775 204 P CB 0.390 32.129 31.700 0.066 0.000 0.854 205 K N 1.224 121.577 120.400 -0.079 0.000 2.437 205 K HA 0.334 4.655 4.320 0.001 0.000 0.277 205 K C 1.350 177.859 176.600 -0.151 0.000 1.073 205 K CA 0.376 56.583 56.287 -0.134 0.000 1.105 205 K CB -1.343 31.095 32.500 -0.103 0.000 0.881 205 K HN 0.898 nan 8.250 nan 0.000 0.475 206 G N 0.420 109.084 108.800 -0.227 0.000 2.339 206 G HA2 -0.274 3.686 3.960 0.001 0.000 0.209 206 G HA3 -0.274 3.686 3.960 0.001 0.000 0.209 206 G C 1.466 176.232 174.900 -0.224 0.000 1.015 206 G CA 0.462 45.443 45.100 -0.199 0.000 0.635 206 G HN 1.001 nan 8.290 nan 0.000 0.499 207 V N 0.992 120.732 119.914 -0.289 0.000 2.237 207 V HA 0.152 4.273 4.120 0.001 0.000 0.245 207 V C 1.516 177.380 176.094 -0.384 0.000 1.046 207 V CA 2.101 64.136 62.300 -0.441 0.000 1.007 207 V CB -0.415 30.890 31.823 -0.863 0.000 0.638 207 V HN 0.560 nan 8.190 nan 0.000 0.445 208 L N -0.094 120.920 121.223 -0.347 0.000 2.309 208 L HA 0.600 4.941 4.340 0.001 0.000 0.282 208 L C -0.359 176.383 176.870 -0.213 0.000 1.036 208 L CA 0.502 55.191 54.840 -0.251 0.000 0.806 208 L CB 1.588 43.498 42.059 -0.248 0.000 1.220 208 L HN 0.137 nan 8.230 nan 0.000 0.429 209 S N 3.108 118.705 115.700 -0.173 0.000 2.541 209 S HA 0.778 5.249 4.470 0.001 0.000 0.280 209 S C -1.308 173.243 174.600 -0.081 0.000 1.112 209 S CA -0.610 57.475 58.200 -0.191 0.000 0.925 209 S CB 2.078 65.148 63.200 -0.216 0.000 1.067 209 S HN 0.399 nan 8.310 nan 0.000 0.479 210 V N 3.004 122.888 119.914 -0.050 0.000 2.419 210 V HA 0.454 4.574 4.120 0.001 0.000 0.287 210 V C -0.337 175.752 176.094 -0.008 0.000 1.017 210 V CA -0.755 61.541 62.300 -0.006 0.000 0.844 210 V CB 1.396 33.238 31.823 0.032 0.000 1.011 210 V HN 0.774 nan 8.190 nan 0.000 0.429 211 V N 4.124 124.035 119.914 -0.005 0.000 2.472 211 V HA 0.742 4.862 4.120 0.001 0.000 0.290 211 V C -0.415 175.703 176.094 0.040 0.000 1.037 211 V CA -0.419 61.886 62.300 0.007 0.000 0.908 211 V CB 1.699 33.518 31.823 -0.007 0.000 0.985 211 V HN 0.633 nan 8.190 nan 0.000 0.454 212 I N 4.205 124.812 120.570 0.062 0.000 2.582 212 I HA 0.933 5.103 4.170 0.001 0.000 0.292 212 I C 0.579 176.795 176.117 0.164 0.000 1.066 212 I CA -0.086 61.280 61.300 0.110 0.000 1.053 212 I CB 1.889 39.941 38.000 0.087 0.000 1.241 212 I HN 1.133 nan 8.210 nan 0.000 0.421 213 G N 4.479 113.411 108.800 0.219 0.000 2.403 213 G HA2 -0.054 3.907 3.960 0.001 0.000 0.223 213 G HA3 -0.054 3.907 3.960 0.001 0.000 0.223 213 G C -1.682 173.226 174.900 0.012 0.000 1.287 213 G CA -0.716 44.506 45.100 0.203 0.000 0.982 213 G HN 0.550 nan 8.290 nan 0.000 0.471 214 D N 1.916 122.307 120.400 -0.015 0.000 2.401 214 D HA 0.221 4.861 4.640 0.001 0.000 0.254 214 D C -0.651 175.619 176.300 -0.050 0.000 1.192 214 D CA -0.987 52.972 54.000 -0.069 0.000 0.885 214 D CB 1.808 42.583 40.800 -0.042 0.000 1.147 214 D HN 0.006 nan 8.370 nan 0.000 0.478 215 P HA -0.198 nan 4.420 nan 0.000 0.213 215 P C 1.226 178.508 177.300 -0.030 0.000 1.170 215 P CA 1.893 64.972 63.100 -0.036 0.000 0.898 215 P CB 0.028 31.705 31.700 -0.038 0.000 0.787 216 K N -0.010 120.368 120.400 -0.038 0.000 2.209 216 K HA 0.009 4.330 4.320 0.001 0.000 0.204 216 K C 2.242 178.823 176.600 -0.031 0.000 1.048 216 K CA 1.863 58.128 56.287 -0.036 0.000 0.940 216 K CB -1.546 30.932 32.500 -0.035 0.000 0.729 216 K HN 0.301 nan 8.250 nan 0.000 0.451 217 A N 0.333 123.137 122.820 -0.027 0.000 1.911 217 A HA 0.250 4.570 4.320 0.001 0.000 0.212 217 A C 2.353 179.927 177.584 -0.017 0.000 1.189 217 A CA 1.025 53.051 52.037 -0.020 0.000 0.639 217 A CB 0.026 19.017 19.000 -0.014 0.000 0.839 217 A HN 0.410 nan 8.150 nan 0.000 0.449 218 I N -0.111 120.451 120.570 -0.013 0.000 2.353 218 I HA -0.087 4.084 4.170 0.001 0.000 0.248 218 I C 2.660 178.768 176.117 -0.015 0.000 1.119 218 I CA 0.815 62.109 61.300 -0.009 0.000 1.417 218 I CB -0.577 37.424 38.000 0.001 0.000 1.078 218 I HN 0.363 nan 8.210 nan 0.000 0.421 219 G N 1.045 109.833 108.800 -0.019 0.000 2.545 219 G HA2 -0.291 3.670 3.960 0.001 0.000 0.217 219 G HA3 -0.291 3.670 3.960 0.001 0.000 0.217 219 G C 1.634 176.511 174.900 -0.038 0.000 1.218 219 G CA 1.747 46.828 45.100 -0.032 0.000 0.787 219 G HN 0.298 nan 8.290 nan 0.000 0.571 220 T N 0.681 115.213 114.554 -0.037 0.000 2.737 220 T HA -0.138 4.212 4.350 0.001 0.000 0.269 220 T C 2.173 176.855 174.700 -0.030 0.000 1.040 220 T CA 1.777 63.856 62.100 -0.035 0.000 1.142 220 T CB -0.152 68.698 68.868 -0.030 0.000 0.861 220 T HN 0.420 nan 8.240 nan 0.000 0.456 221 E N 0.693 120.877 120.200 -0.026 0.000 2.216 221 E HA 0.057 4.408 4.350 0.001 0.000 0.192 221 E C 1.900 178.483 176.600 -0.027 0.000 0.988 221 E CA 0.615 57.001 56.400 -0.024 0.000 0.834 221 E CB -0.404 29.284 29.700 -0.021 0.000 0.772 221 E HN 0.553 nan 8.360 nan 0.000 0.479 222 I N 0.234 120.788 120.570 -0.028 0.000 2.277 222 I HA -0.194 3.976 4.170 0.001 0.000 0.243 222 I C 2.284 178.381 176.117 -0.034 0.000 1.094 222 I CA 1.588 62.870 61.300 -0.030 0.000 1.393 222 I CB -0.502 37.485 38.000 -0.023 0.000 1.078 222 I HN 0.220 nan 8.210 nan 0.000 0.417 223 T N -2.260 112.271 114.554 -0.038 0.000 2.962 223 T HA -0.100 4.251 4.350 0.001 0.000 0.270 223 T C 1.769 176.447 174.700 -0.036 0.000 1.088 223 T CA 1.302 63.376 62.100 -0.043 0.000 1.127 223 T CB -0.328 68.507 68.868 -0.055 0.000 0.883 223 T HN 0.419 nan 8.240 nan 0.000 0.493 224 S N 0.300 115.981 115.700 -0.032 0.000 2.505 224 S HA 0.181 4.651 4.470 0.001 0.000 0.216 224 S C 0.804 175.390 174.600 -0.023 0.000 1.018 224 S CA -0.531 57.653 58.200 -0.027 0.000 0.911 224 S CB -0.536 62.650 63.200 -0.025 0.000 0.818 224 S HN 0.381 nan 8.310 nan 0.000 0.497 225 N N 4.217 122.902 118.700 -0.025 0.000 2.427 225 N HA 0.187 4.927 4.740 0.001 0.000 0.269 225 N C -1.799 173.697 175.510 -0.023 0.000 1.235 225 N CA -1.573 51.463 53.050 -0.023 0.000 0.934 225 N CB 1.308 39.780 38.487 -0.026 0.000 1.121 225 N HN 0.187 nan 8.380 nan 0.000 0.480 226 P HA -0.086 nan 4.420 nan 0.000 0.236 226 P C 1.193 178.483 177.300 -0.015 0.000 1.172 226 P CA 0.828 63.919 63.100 -0.014 0.000 0.759 226 P CB 0.334 32.030 31.700 -0.006 0.000 0.843 227 I N -0.991 119.567 120.570 -0.021 0.000 2.480 227 I HA -0.066 4.105 4.170 0.001 0.000 0.251 227 I C 0.883 176.968 176.117 -0.055 0.000 1.124 227 I CA 0.354 61.639 61.300 -0.026 0.000 1.444 227 I CB -0.277 37.710 38.000 -0.021 0.000 1.098 227 I HN -0.306 nan 8.210 nan 0.000 0.428 228 V N 3.533 123.414 119.914 -0.056 0.000 2.420 228 V HA -0.055 4.066 4.120 0.001 0.000 0.274 228 V C 1.477 177.530 176.094 -0.069 0.000 1.003 228 V CA 0.691 62.950 62.300 -0.069 0.000 1.092 228 V CB -0.219 31.572 31.823 -0.054 0.000 1.002 228 V HN 0.330 nan 8.190 nan 0.000 0.473 229 R N 3.379 123.822 120.500 -0.095 0.000 2.210 229 R HA 0.100 4.440 4.340 0.001 0.000 0.203 229 R C 0.570 176.824 176.300 -0.076 0.000 1.010 229 R CA 0.447 56.497 56.100 -0.082 0.000 1.008 229 R CB 0.330 30.568 30.300 -0.104 0.000 0.923 229 R HN 0.790 nan 8.270 nan 0.000 0.469 230 K N 0.025 120.374 120.400 -0.084 0.000 2.543 230 K HA 0.302 4.622 4.320 0.001 0.000 0.255 230 K C -1.708 174.855 176.600 -0.062 0.000 0.934 230 K CA -0.880 55.357 56.287 -0.083 0.000 0.810 230 K CB 1.679 34.104 32.500 -0.125 0.000 1.315 230 K HN -0.122 nan 8.250 nan 0.000 0.433 231 L N 1.496 122.690 121.223 -0.049 0.000 2.346 231 L HA 0.649 4.989 4.340 0.001 0.000 0.276 231 L C -1.208 175.664 176.870 0.004 0.000 1.006 231 L CA 0.043 54.876 54.840 -0.013 0.000 0.817 231 L CB 2.242 44.297 42.059 -0.007 0.000 1.272 231 L HN 0.822 nan 8.230 nan 0.000 0.421 232 S N 4.506 120.234 115.700 0.045 0.000 2.519 232 S HA 0.718 5.189 4.470 0.001 0.000 0.309 232 S C -1.204 173.483 174.600 0.145 0.000 1.100 232 S CA -0.452 57.788 58.200 0.068 0.000 1.059 232 S CB 0.502 63.740 63.200 0.063 0.000 1.008 232 S HN 0.552 nan 8.310 nan 0.000 0.478 233 F N 3.302 123.246 119.950 -0.011 0.000 2.563 233 F HA 0.760 5.288 4.527 0.001 0.000 0.316 233 F C -0.708 175.091 175.800 -0.002 0.000 1.076 233 F CA -0.236 57.759 58.000 -0.008 0.000 0.921 233 F CB 2.323 41.318 39.000 -0.007 0.000 1.209 233 F HN 0.513 nan 8.300 nan 0.000 0.462 234 T N 3.699 117.575 114.554 -1.130 0.000 3.143 234 T HA 0.724 5.074 4.350 0.001 0.000 0.312 234 T C -0.333 173.618 174.700 -1.248 0.000 0.986 234 T CA -0.256 61.297 62.100 -0.912 0.000 1.024 234 T CB 1.101 69.728 68.868 -0.402 0.000 1.030 234 T HN 1.144 nan 8.240 nan 0.000 0.448 235 G N 2.002 110.226 108.800 -0.960 0.000 2.498 235 G HA2 0.489 4.449 3.960 0.001 0.000 0.181 235 G HA3 0.489 4.449 3.960 0.001 0.000 0.181 235 G C -0.547 174.314 174.900 -0.065 0.000 1.169 235 G CA -0.072 44.749 45.100 -0.465 0.000 0.992 235 G HN 1.022 nan 8.290 nan 0.000 0.490 236 S N -0.257 115.538 115.700 0.157 0.000 2.592 236 S HA 0.462 4.933 4.470 0.001 0.000 0.271 236 S C 1.395 176.150 174.600 0.258 0.000 1.326 236 S CA 1.108 59.407 58.200 0.165 0.000 1.024 236 S CB 1.290 64.574 63.200 0.139 0.000 0.921 236 S HN 0.834 nan 8.310 nan 0.000 0.527 237 T N 2.543 117.215 114.554 0.196 0.000 2.708 237 T HA -0.069 4.282 4.350 0.001 0.000 0.266 237 T C 2.225 177.035 174.700 0.183 0.000 1.037 237 T CA 1.520 63.760 62.100 0.233 0.000 1.146 237 T CB -0.982 68.095 68.868 0.348 0.000 0.865 237 T HN 0.871 nan 8.240 nan 0.000 0.435 238 A N 0.977 123.890 122.820 0.155 0.000 1.948 238 A HA -0.087 4.233 4.320 0.001 0.000 0.220 238 A C 2.571 180.178 177.584 0.039 0.000 1.177 238 A CA 1.580 53.673 52.037 0.094 0.000 0.636 238 A CB -1.005 18.048 19.000 0.088 0.000 0.815 238 A HN 0.383 nan 8.150 nan 0.000 0.449 239 V N -0.612 119.327 119.914 0.043 0.000 2.591 239 V HA -0.056 4.065 4.120 0.001 0.000 0.249 239 V C 2.711 178.607 176.094 -0.331 0.000 1.053 239 V CA 1.570 63.811 62.300 -0.099 0.000 1.068 239 V CB -1.022 30.790 31.823 -0.017 0.000 0.689 239 V HN 0.609 nan 8.190 nan 0.000 0.462 240 G N -0.142 108.542 108.800 -0.194 0.000 2.422 240 G HA2 -0.193 3.768 3.960 0.001 0.000 0.218 240 G HA3 -0.193 3.768 3.960 0.001 0.000 0.218 240 G C 1.743 176.580 174.900 -0.105 0.000 1.140 240 G CA 0.405 45.375 45.100 -0.217 0.000 0.775 240 G HN 0.398 nan 8.290 nan 0.000 0.545 241 R N -0.226 120.252 120.500 -0.036 0.000 2.073 241 R HA 0.067 4.407 4.340 0.001 0.000 0.234 241 R C 2.562 178.824 176.300 -0.064 0.000 1.134 241 R CA 1.006 57.090 56.100 -0.027 0.000 0.952 241 R CB -0.430 29.872 30.300 0.004 0.000 0.850 241 R HN 0.320 nan 8.270 nan 0.000 0.433 242 L N 0.383 121.551 121.223 -0.092 0.000 2.083 242 L HA -0.173 4.167 4.340 0.001 0.000 0.209 242 L C 2.274 179.069 176.870 -0.125 0.000 1.083 242 L CA 1.112 55.894 54.840 -0.098 0.000 0.752 242 L CB -0.407 41.592 42.059 -0.099 0.000 0.899 242 L HN 0.223 nan 8.230 nan 0.000 0.433 243 L N -1.056 120.050 121.223 -0.196 0.000 2.141 243 L HA -0.209 4.132 4.340 0.001 0.000 0.209 243 L C 2.620 179.419 176.870 -0.120 0.000 1.094 243 L CA 1.061 55.783 54.840 -0.197 0.000 0.763 243 L CB -0.323 41.535 42.059 -0.336 0.000 0.908 243 L HN 0.356 nan 8.230 nan 0.000 0.437 244 M N -0.049 119.493 119.600 -0.096 0.000 2.086 244 M HA -0.199 4.282 4.480 0.001 0.000 0.261 244 M C 2.333 178.604 176.300 -0.048 0.000 1.067 244 M CA 2.029 57.296 55.300 -0.056 0.000 1.116 244 M CB -0.108 32.471 32.600 -0.036 0.000 1.348 244 M HN 0.255 nan 8.290 nan 0.000 0.407 245 A N -0.364 122.427 122.820 -0.049 0.000 2.070 245 A HA -0.207 4.113 4.320 0.001 0.000 0.220 245 A C 1.815 179.374 177.584 -0.041 0.000 1.159 245 A CA 1.653 53.666 52.037 -0.040 0.000 0.656 245 A CB -0.547 18.431 19.000 -0.038 0.000 0.800 245 A HN 0.743 nan 8.150 nan 0.000 0.453 246 Q N -1.217 118.552 119.800 -0.052 0.000 2.391 246 Q HA 0.070 4.410 4.340 0.001 0.000 0.211 246 Q C 1.884 177.858 176.000 -0.043 0.000 0.908 246 Q CA 0.907 56.681 55.803 -0.048 0.000 0.920 246 Q CB 0.315 29.016 28.738 -0.060 0.000 1.056 246 Q HN 0.591 nan 8.270 nan 0.000 0.523 247 S N 0.811 116.483 115.700 -0.045 0.000 2.496 247 S HA 0.045 4.516 4.470 0.001 0.000 0.224 247 S C 1.954 176.536 174.600 -0.031 0.000 0.996 247 S CA 0.512 58.689 58.200 -0.039 0.000 0.927 247 S CB 0.059 63.234 63.200 -0.041 0.000 0.774 247 S HN 0.427 nan 8.310 nan 0.000 0.524 248 A N 2.933 125.735 122.820 -0.029 0.000 1.884 248 A HA -0.118 4.202 4.320 0.001 0.000 0.219 248 A C -0.130 177.443 177.584 -0.019 0.000 1.197 248 A CA 1.714 53.737 52.037 -0.023 0.000 0.637 248 A CB -2.018 16.968 19.000 -0.022 0.000 0.827 248 A HN 0.369 nan 8.150 nan 0.000 0.450 249 P HA -0.097 nan 4.420 nan 0.000 0.222 249 P C 1.000 178.291 177.300 -0.014 0.000 1.142 249 P CA 1.906 64.997 63.100 -0.015 0.000 0.788 249 P CB -0.125 31.565 31.700 -0.016 0.000 0.767 250 T N -6.822 107.722 114.554 -0.016 0.000 3.091 250 T HA 0.200 4.550 4.350 0.001 0.000 0.277 250 T C 0.474 175.165 174.700 -0.014 0.000 0.996 250 T CA -0.343 61.748 62.100 -0.014 0.000 0.897 250 T CB -0.538 68.320 68.868 -0.017 0.000 1.109 250 T HN -0.197 nan 8.240 nan 0.000 0.534 251 V N 1.828 121.733 119.914 -0.016 0.000 5.820 251 V HA -0.223 3.897 4.120 0.001 0.000 0.300 251 V C 0.243 176.326 176.094 -0.019 0.000 0.585 251 V CA 0.783 63.074 62.300 -0.015 0.000 0.629 251 V CB -1.967 29.851 31.823 -0.008 0.000 0.291 251 V HN 0.676 nan 8.190 nan 0.000 0.887 252 K N 0.682 121.066 120.400 -0.026 0.000 2.237 252 K HA 0.379 4.699 4.320 0.001 0.000 0.270 252 K C 0.304 176.881 176.600 -0.037 0.000 1.015 252 K CA -0.735 55.532 56.287 -0.034 0.000 0.949 252 K CB 0.804 33.282 32.500 -0.038 0.000 0.976 252 K HN 0.322 nan 8.250 nan 0.000 0.472 253 K N 2.432 122.803 120.400 -0.049 0.000 2.451 253 K HA 0.062 4.382 4.320 0.001 0.000 0.280 253 K C -1.091 175.467 176.600 -0.070 0.000 1.020 253 K CA 0.140 56.390 56.287 -0.062 0.000 1.008 253 K CB 0.224 32.672 32.500 -0.087 0.000 0.917 253 K HN 0.331 nan 8.250 nan 0.000 0.478 254 L N 3.490 124.679 121.223 -0.056 0.000 2.365 254 L HA 0.424 4.764 4.340 0.001 0.000 0.273 254 L C -0.614 176.232 176.870 -0.040 0.000 1.000 254 L CA -0.145 54.672 54.840 -0.039 0.000 0.819 254 L CB 2.435 44.486 42.059 -0.014 0.000 1.284 254 L HN 0.685 nan 8.230 nan 0.000 0.418 255 T N 4.579 119.116 114.554 -0.028 0.000 2.792 255 T HA 0.663 5.014 4.350 0.001 0.000 0.280 255 T C -0.564 174.172 174.700 0.061 0.000 0.990 255 T CA -0.289 61.810 62.100 -0.002 0.000 0.960 255 T CB 0.579 69.431 68.868 -0.027 0.000 0.939 255 T HN 0.273 nan 8.240 nan 0.000 0.439 256 L N 3.688 124.957 121.223 0.076 0.000 2.388 256 L HA 0.407 4.747 4.340 0.001 0.000 0.267 256 L C 0.118 177.041 176.870 0.088 0.000 0.995 256 L CA -0.800 54.121 54.840 0.135 0.000 0.864 256 L CB 1.294 43.453 42.059 0.166 0.000 1.216 256 L HN 0.466 nan 8.230 nan 0.000 0.430 257 E N 5.240 125.464 120.200 0.041 0.000 1.941 257 E HA 0.338 4.688 4.350 0.001 0.000 0.275 257 E C -0.162 176.434 176.600 -0.008 0.000 1.113 257 E CA -0.032 56.385 56.400 0.029 0.000 0.878 257 E CB 1.432 31.160 29.700 0.046 0.000 1.070 257 E HN 0.536 nan 8.360 nan 0.000 0.399 258 L N 0.361 121.612 121.223 0.047 0.000 2.935 258 L HA 0.528 4.868 4.340 0.001 0.000 0.214 258 L C 1.188 178.071 176.870 0.021 0.000 1.574 258 L CA -1.062 53.819 54.840 0.068 0.000 1.628 258 L CB 0.057 42.207 42.059 0.152 0.000 2.455 258 L HN 0.369 nan 8.230 nan 0.000 0.578 259 G N -1.329 107.456 108.800 -0.025 0.000 2.507 259 G HA2 0.513 4.473 3.960 0.001 0.000 0.271 259 G HA3 0.513 4.473 3.960 0.001 0.000 0.271 259 G C -0.452 174.235 174.900 -0.356 0.000 1.189 259 G CA 0.126 45.083 45.100 -0.238 0.000 0.859 259 G HN 0.678 nan 8.290 nan 0.000 0.542 260 G N -0.898 107.688 108.800 -0.357 0.000 3.175 260 G HA2 0.471 4.432 3.960 0.001 0.000 0.255 260 G HA3 0.471 4.432 3.960 0.001 0.000 0.255 260 G C -0.588 174.203 174.900 -0.180 0.000 1.352 260 G CA -0.570 44.434 45.100 -0.161 0.000 1.037 260 G HN 0.688 nan 8.290 nan 0.000 0.556 261 N N -0.945 117.802 118.700 0.078 0.000 2.658 261 N HA 0.286 5.026 4.740 0.001 0.000 0.238 261 N C -0.085 175.479 175.510 0.090 0.000 1.495 261 N CA -0.114 52.996 53.050 0.100 0.000 0.883 261 N CB 0.483 39.132 38.487 0.269 0.000 1.463 261 N HN 0.725 nan 8.380 nan 0.000 0.531 262 A N 2.066 124.877 122.820 -0.015 0.000 2.553 262 A HA 0.304 4.625 4.320 0.001 0.000 0.258 262 A C -2.209 175.320 177.584 -0.092 0.000 1.069 262 A CA -0.230 51.739 52.037 -0.113 0.000 0.767 262 A CB -0.289 18.683 19.000 -0.046 0.000 0.997 262 A HN 0.338 nan 8.150 nan 0.000 0.512 263 P HA 0.349 nan 4.420 nan 0.000 0.296 263 P C -1.005 176.328 177.300 0.055 0.000 1.306 263 P CA -0.237 62.863 63.100 0.001 0.000 0.818 263 P CB 0.772 32.483 31.700 0.019 0.000 0.969 264 F N 4.519 124.446 119.950 -0.039 0.000 2.332 264 F HA 0.472 4.999 4.527 0.001 0.000 0.368 264 F C -0.372 175.534 175.800 0.177 0.000 1.110 264 F CA -0.840 57.195 58.000 0.059 0.000 1.087 264 F CB 0.408 39.268 39.000 -0.234 0.000 1.235 264 F HN 0.123 nan 8.300 nan 0.000 0.470 265 I N 7.062 127.640 120.570 0.013 0.000 2.312 265 I HA 0.277 4.447 4.170 0.001 0.000 0.290 265 I C -0.881 175.277 176.117 0.068 0.000 1.008 265 I CA -0.710 60.613 61.300 0.039 0.000 1.226 265 I CB 1.327 39.239 38.000 -0.148 0.000 1.371 265 I HN 0.206 nan 8.210 nan 0.000 0.468 266 V N 7.350 127.360 119.914 0.160 0.000 2.313 266 V HA 0.335 4.455 4.120 0.001 0.000 0.278 266 V C -0.116 176.087 176.094 0.183 0.000 1.017 266 V CA -0.523 61.856 62.300 0.132 0.000 0.823 266 V CB 0.596 32.327 31.823 -0.154 0.000 1.010 266 V HN 0.361 nan 8.190 nan 0.000 0.443 267 F N 2.301 122.428 119.950 0.295 0.000 2.382 267 F HA 0.255 4.783 4.527 0.001 0.000 0.331 267 F C 1.635 177.481 175.800 0.077 0.000 1.121 267 F CA -0.009 58.157 58.000 0.276 0.000 1.183 267 F CB 0.810 39.942 39.000 0.220 0.000 1.207 267 F HN 0.612 nan 8.300 nan 0.000 0.555 268 D N 1.186 121.662 120.400 0.128 0.000 5.151 268 D HA -0.342 4.299 4.640 0.001 0.000 0.243 268 D C 1.400 177.712 176.300 0.021 0.000 1.563 268 D CA 2.525 56.439 54.000 -0.143 0.000 0.858 268 D CB -0.149 40.464 40.800 -0.312 0.000 0.880 268 D HN 0.675 nan 8.370 nan 0.000 0.721 269 D N -0.912 119.542 120.400 0.089 0.000 2.368 269 D HA 0.222 4.862 4.640 0.001 0.000 0.218 269 D C 0.201 176.577 176.300 0.128 0.000 1.112 269 D CA 0.205 54.252 54.000 0.077 0.000 0.834 269 D CB -0.522 40.301 40.800 0.037 0.000 0.953 269 D HN 0.330 nan 8.370 nan 0.000 0.505 270 A N 0.801 123.736 122.820 0.192 0.000 2.466 270 A HA 0.140 4.460 4.320 0.001 0.000 0.238 270 A C 0.158 177.861 177.584 0.199 0.000 1.074 270 A CA -0.142 52.040 52.037 0.242 0.000 0.774 270 A CB 0.165 19.350 19.000 0.309 0.000 1.015 270 A HN 0.171 nan 8.150 nan 0.000 0.498 271 D N 1.616 122.151 120.400 0.226 0.000 2.344 271 D HA 0.214 4.854 4.640 0.001 0.000 0.253 271 D C 0.745 177.158 176.300 0.188 0.000 1.255 271 D CA -0.338 53.773 54.000 0.184 0.000 0.894 271 D CB 0.344 41.252 40.800 0.179 0.000 1.067 271 D HN 0.226 nan 8.370 nan 0.000 0.492 272 L N 3.730 125.043 121.223 0.150 0.000 2.017 272 L HA -0.109 4.232 4.340 0.001 0.000 0.208 272 L C 1.726 178.659 176.870 0.106 0.000 1.073 272 L CA 1.512 56.447 54.840 0.157 0.000 0.745 272 L CB -0.560 41.581 42.059 0.138 0.000 0.894 272 L HN 0.451 nan 8.230 nan 0.000 0.432 273 D N -0.623 119.818 120.400 0.068 0.000 2.117 273 D HA -0.153 4.487 4.640 0.001 0.000 0.197 273 D C 2.211 178.539 176.300 0.045 0.000 0.987 273 D CA 1.460 55.477 54.000 0.029 0.000 0.829 273 D CB -0.149 40.666 40.800 0.025 0.000 0.961 273 D HN 0.337 nan 8.370 nan 0.000 0.460 274 A N 1.087 123.969 122.820 0.103 0.000 1.902 274 A HA -0.042 4.278 4.320 0.001 0.000 0.217 274 A C 2.331 179.960 177.584 0.075 0.000 1.181 274 A CA 2.204 54.339 52.037 0.164 0.000 0.623 274 A CB -0.747 18.419 19.000 0.276 0.000 0.818 274 A HN 0.232 nan 8.150 nan 0.000 0.443 275 A N -0.430 122.357 122.820 -0.055 0.000 1.883 275 A HA -0.067 4.253 4.320 0.001 0.000 0.217 275 A C 2.241 179.813 177.584 -0.020 0.000 1.186 275 A CA 1.973 53.786 52.037 -0.374 0.000 0.624 275 A CB -1.079 17.920 19.000 -0.001 0.000 0.822 275 A HN 0.432 nan 8.150 nan 0.000 0.444 276 V N 0.100 120.012 119.914 -0.003 0.000 2.287 276 V HA -0.247 3.873 4.120 0.001 0.000 0.248 276 V C 3.105 179.132 176.094 -0.112 0.000 1.053 276 V CA 2.757 64.950 62.300 -0.179 0.000 1.027 276 V CB -1.465 30.195 31.823 -0.272 0.000 0.646 276 V HN 0.802 nan 8.190 nan 0.000 0.447 277 E N 0.258 120.438 120.200 -0.034 0.000 2.153 277 E HA -0.166 4.184 4.350 0.001 0.000 0.194 277 E C 2.243 178.880 176.600 0.062 0.000 0.988 277 E CA 1.533 57.942 56.400 0.014 0.000 0.811 277 E CB -1.089 28.642 29.700 0.052 0.000 0.746 277 E HN 0.694 nan 8.360 nan 0.000 0.466 278 G N -0.365 108.504 108.800 0.115 0.000 2.494 278 G HA2 0.219 4.179 3.960 0.001 0.000 0.216 278 G HA3 0.219 4.179 3.960 0.001 0.000 0.216 278 G C 1.937 176.878 174.900 0.069 0.000 1.140 278 G CA 1.182 46.428 45.100 0.244 0.000 0.801 278 G HN 0.794 nan 8.290 nan 0.000 0.536 279 A N 1.261 123.968 122.820 -0.188 0.000 1.873 279 A HA 0.060 4.380 4.320 0.001 0.000 0.215 279 A C 2.300 179.850 177.584 -0.058 0.000 1.186 279 A CA 1.077 52.864 52.037 -0.417 0.000 0.616 279 A CB -0.298 18.470 19.000 -0.388 0.000 0.823 279 A HN 0.256 nan 8.150 nan 0.000 0.442 280 I N -0.086 120.482 120.570 -0.003 0.000 2.226 280 I HA -0.259 3.911 4.170 0.001 0.000 0.245 280 I C 2.909 179.119 176.117 0.155 0.000 1.100 280 I CA 1.564 62.945 61.300 0.135 0.000 1.374 280 I CB -1.400 36.602 38.000 0.003 0.000 1.057 280 I HN 0.390 nan 8.210 nan 0.000 0.413 281 A N 0.936 123.797 122.820 0.067 0.000 1.872 281 A HA -0.177 4.143 4.320 0.001 0.000 0.214 281 A C 2.510 180.104 177.584 0.016 0.000 1.187 281 A CA 2.096 54.168 52.037 0.058 0.000 0.614 281 A CB -0.831 18.205 19.000 0.060 0.000 0.826 281 A HN 0.529 nan 8.150 nan 0.000 0.442 282 S N -0.720 114.936 115.700 -0.073 0.000 2.423 282 S HA -0.096 4.374 4.470 0.001 0.000 0.231 282 S C 1.703 176.207 174.600 -0.160 0.000 1.014 282 S CA 1.654 59.734 58.200 -0.200 0.000 0.965 282 S CB -0.088 62.791 63.200 -0.534 0.000 0.785 282 S HN 0.449 nan 8.310 nan 0.000 0.495 283 K N -0.362 119.950 120.400 -0.146 0.000 2.348 283 K HA 0.310 4.630 4.320 0.001 0.000 0.194 283 K C 0.524 176.833 176.600 -0.484 0.000 1.052 283 K CA 0.456 56.548 56.287 -0.324 0.000 1.004 283 K CB -0.019 32.290 32.500 -0.318 0.000 0.873 283 K HN 0.493 nan 8.250 nan 0.000 0.523 284 Y N -0.240 120.074 120.300 0.022 0.000 2.471 284 Y HA 0.326 4.877 4.550 0.001 0.000 0.249 284 Y C 0.084 176.006 175.900 0.036 0.000 1.116 284 Y CA -0.668 57.451 58.100 0.032 0.000 1.240 284 Y CB 0.388 38.859 38.460 0.018 0.000 1.251 284 Y HN -0.139 nan 8.280 nan 0.000 0.527 285 R N 1.698 122.285 120.500 0.145 0.000 2.537 285 R HA 0.028 4.369 4.340 0.001 0.000 0.280 285 R C 0.635 176.996 176.300 0.101 0.000 1.058 285 R CA 0.468 56.636 56.100 0.114 0.000 1.057 285 R CB 0.037 30.401 30.300 0.105 0.000 0.973 285 R HN 0.214 nan 8.270 nan 0.000 0.438 286 N N 2.640 121.380 118.700 0.067 0.000 2.714 286 N HA -0.358 4.382 4.740 0.001 0.000 0.250 286 N C -0.823 174.738 175.510 0.084 0.000 1.117 286 N CA 1.507 54.574 53.050 0.028 0.000 0.719 286 N CB -1.371 37.092 38.487 -0.040 0.000 1.081 286 N HN 1.043 nan 8.380 nan 0.000 0.557 287 N N -1.401 117.368 118.700 0.115 0.000 2.714 287 N HA -0.237 4.504 4.740 0.001 0.000 0.250 287 N C 0.603 176.184 175.510 0.119 0.000 1.117 287 N CA 1.485 54.624 53.050 0.149 0.000 0.719 287 N CB -1.298 37.264 38.487 0.126 0.000 1.081 287 N HN 1.012 nan 8.380 nan 0.000 0.557 288 G N -0.673 108.166 108.800 0.064 0.000 2.141 288 G HA2 -0.286 3.675 3.960 0.001 0.000 0.242 288 G HA3 -0.286 3.675 3.960 0.001 0.000 0.242 288 G C 0.157 175.091 174.900 0.057 0.000 0.982 288 G CA 0.490 45.580 45.100 -0.016 0.000 0.662 288 G HN 0.602 nan 8.290 nan 0.000 0.527 289 Q N 0.741 120.640 119.800 0.165 0.000 2.189 289 Q HA 0.222 4.562 4.340 0.001 0.000 0.221 289 Q C 0.833 177.019 176.000 0.310 0.000 0.848 289 Q CA 0.590 56.606 55.803 0.355 0.000 1.007 289 Q CB 0.711 29.678 28.738 0.383 0.000 1.116 289 Q HN 0.676 nan 8.270 nan 0.000 0.481 290 T N -3.158 111.526 114.554 0.217 0.000 2.928 290 T HA 0.154 4.504 4.350 0.001 0.000 0.284 290 T C 1.496 176.299 174.700 0.171 0.000 1.008 290 T CA -0.842 61.421 62.100 0.272 0.000 1.057 290 T CB 1.384 70.448 68.868 0.326 0.000 1.018 290 T HN 0.383 nan 8.240 nan 0.000 0.493 291 C N 0.924 120.350 119.300 0.211 0.000 2.432 291 C HA 0.068 4.529 4.460 0.001 0.000 0.282 291 C C 2.294 177.308 174.990 0.041 0.000 1.388 291 C CA 0.252 59.348 59.018 0.129 0.000 1.777 291 C CB -2.013 25.826 27.740 0.166 0.000 1.882 291 C HN 0.827 nan 8.230 nan 0.000 0.520 292 V N -2.294 117.690 119.914 0.116 0.000 3.649 292 V HA 0.251 4.371 4.120 0.001 0.000 0.275 292 V C 1.085 177.265 176.094 0.144 0.000 1.281 292 V CA -0.567 61.807 62.300 0.122 0.000 1.143 292 V CB -2.089 29.868 31.823 0.223 0.000 0.892 292 V HN 0.583 nan 8.190 nan 0.000 0.441 293 C N 2.588 121.912 119.300 0.040 0.000 2.596 293 C HA 0.197 4.658 4.460 0.001 0.000 0.414 293 C C 1.503 176.464 174.990 -0.049 0.000 1.396 293 C CA 0.502 59.507 59.018 -0.023 0.000 1.698 293 C CB -0.699 26.972 27.740 -0.116 0.000 2.572 293 C HN 0.644 nan 8.230 nan 0.000 0.604 294 T N 4.508 119.026 114.554 -0.060 0.000 2.849 294 T HA -0.088 4.263 4.350 0.001 0.000 0.289 294 T C 1.031 175.591 174.700 -0.234 0.000 1.010 294 T CA 0.854 62.848 62.100 -0.177 0.000 1.161 294 T CB 0.018 68.561 68.868 -0.543 0.000 0.989 294 T HN 0.817 nan 8.240 nan 0.000 0.523 295 N N 2.597 121.194 118.700 -0.171 0.000 2.348 295 N HA 0.099 4.839 4.740 0.001 0.000 0.183 295 N C -0.104 175.377 175.510 -0.048 0.000 1.094 295 N CA 0.227 53.212 53.050 -0.108 0.000 0.885 295 N CB 0.585 39.028 38.487 -0.075 0.000 1.065 295 N HN 0.469 nan 8.380 nan 0.000 0.472 296 R N -0.189 120.239 120.500 -0.120 0.000 2.514 296 R HA 0.286 4.627 4.340 0.001 0.000 0.296 296 R C -1.508 174.691 176.300 -0.169 0.000 1.012 296 R CA -0.589 55.452 56.100 -0.099 0.000 0.897 296 R CB 1.169 31.241 30.300 -0.380 0.000 1.184 296 R HN -0.045 nan 8.270 nan 0.000 0.440 297 F N 2.842 122.851 119.950 0.098 0.000 2.411 297 F HA 0.393 4.920 4.527 0.001 0.000 0.350 297 F C -0.073 175.748 175.800 0.035 0.000 1.114 297 F CA -0.243 57.847 58.000 0.150 0.000 1.135 297 F CB 0.719 39.812 39.000 0.154 0.000 1.120 297 F HN 0.315 nan 8.300 nan 0.000 0.495 298 F N 3.027 123.216 119.950 0.398 0.000 2.426 298 F HA 0.615 5.142 4.527 0.001 0.000 0.348 298 F C -0.553 175.526 175.800 0.465 0.000 1.124 298 F CA -0.994 57.248 58.000 0.403 0.000 1.008 298 F CB 1.487 40.563 39.000 0.126 0.000 1.139 298 F HN 0.009 nan 8.300 nan 0.000 0.452 299 V N 2.825 123.053 119.914 0.525 0.000 2.588 299 V HA 0.274 4.395 4.120 0.001 0.000 0.304 299 V C -0.111 175.839 176.094 -0.239 0.000 1.042 299 V CA -1.003 61.375 62.300 0.130 0.000 0.877 299 V CB 1.520 33.293 31.823 -0.084 0.000 0.996 299 V HN 0.643 nan 8.190 nan 0.000 0.425 300 H N 2.744 121.376 119.070 -0.730 0.000 2.815 300 H HA 0.116 4.672 4.556 0.000 0.000 0.350 300 H C 1.204 176.328 175.328 -0.340 0.000 1.080 300 H CA 0.818 56.273 56.048 -0.989 0.000 1.433 300 H CB 1.072 30.490 29.762 -0.573 0.000 1.432 300 H HN 0.874 nan 8.280 nan 0.000 0.592 301 E N 3.662 123.604 120.200 -0.429 0.000 2.149 301 E HA -0.294 4.057 4.350 0.001 0.000 0.215 301 E C 1.966 178.628 176.600 0.103 0.000 1.055 301 E CA 1.651 57.969 56.400 -0.136 0.000 0.870 301 E CB 0.114 29.710 29.700 -0.173 0.000 0.764 301 E HN 0.626 nan 8.360 nan 0.000 0.463 302 R N -0.041 120.626 120.500 0.278 0.000 2.193 302 R HA -0.057 4.283 4.340 0.001 0.000 0.213 302 R C 2.199 178.583 176.300 0.141 0.000 1.055 302 R CA 1.263 57.474 56.100 0.185 0.000 0.995 302 R CB 0.195 30.589 30.300 0.157 0.000 0.893 302 R HN 0.242 nan 8.270 nan 0.000 0.459 303 V N -3.719 116.288 119.914 0.155 0.000 3.528 303 V HA 0.068 4.188 4.120 0.001 0.000 0.294 303 V C 1.644 177.843 176.094 0.176 0.000 1.404 303 V CA -0.218 62.165 62.300 0.139 0.000 1.065 303 V CB -0.647 31.245 31.823 0.115 0.000 0.904 303 V HN 0.073 nan 8.190 nan 0.000 0.435 304 Y N 2.498 122.830 120.300 0.053 0.000 2.114 304 Y HA -0.237 4.313 4.550 0.001 0.000 0.282 304 Y C 2.170 178.131 175.900 0.102 0.000 1.165 304 Y CA 2.579 60.716 58.100 0.062 0.000 1.148 304 Y CB -0.093 38.372 38.460 0.008 0.000 0.972 304 Y HN 0.313 nan 8.280 nan 0.000 0.504 305 D N -0.056 120.480 120.400 0.227 0.000 2.097 305 D HA -0.177 4.463 4.640 0.001 0.000 0.195 305 D C 2.297 178.615 176.300 0.030 0.000 0.989 305 D CA 1.563 55.634 54.000 0.119 0.000 0.827 305 D CB -0.741 40.136 40.800 0.130 0.000 0.966 305 D HN 0.480 nan 8.370 nan 0.000 0.456 306 A N 0.587 123.442 122.820 0.058 0.000 1.858 306 A HA -0.162 4.158 4.320 0.001 0.000 0.216 306 A C 2.178 179.763 177.584 0.002 0.000 1.190 306 A CA 1.203 53.258 52.037 0.030 0.000 0.617 306 A CB -1.230 17.802 19.000 0.054 0.000 0.827 306 A HN 0.255 nan 8.150 nan 0.000 0.443 307 F N 1.157 121.049 119.950 -0.097 0.000 2.115 307 F HA -0.224 4.303 4.527 0.001 0.000 0.300 307 F C 2.446 178.110 175.800 -0.226 0.000 1.092 307 F CA 1.573 59.487 58.000 -0.143 0.000 1.245 307 F CB -0.297 38.628 39.000 -0.125 0.000 0.995 307 F HN 0.252 nan 8.300 nan 0.000 0.481 308 A N -0.140 122.574 122.820 -0.176 0.000 1.898 308 A HA -0.167 4.153 4.320 0.001 0.000 0.216 308 A C 1.956 179.375 177.584 -0.275 0.000 1.181 308 A CA 1.852 53.711 52.037 -0.297 0.000 0.620 308 A CB -0.966 17.843 19.000 -0.318 0.000 0.819 308 A HN 0.443 nan 8.150 nan 0.000 0.442 309 D N 0.041 120.327 120.400 -0.191 0.000 2.097 309 D HA -0.119 4.521 4.640 0.001 0.000 0.195 309 D C 1.919 178.097 176.300 -0.203 0.000 0.989 309 D CA 1.417 55.323 54.000 -0.157 0.000 0.827 309 D CB -0.260 40.484 40.800 -0.095 0.000 0.966 309 D HN 0.488 nan 8.370 nan 0.000 0.456 310 K N -0.082 120.170 120.400 -0.247 0.000 2.211 310 K HA -0.068 4.252 4.320 0.001 0.000 0.203 310 K C 2.035 178.426 176.600 -0.347 0.000 1.050 310 K CA 0.299 56.432 56.287 -0.257 0.000 0.945 310 K CB 0.007 32.370 32.500 -0.228 0.000 0.732 310 K HN 0.085 nan 8.250 nan 0.000 0.451 311 L N 0.919 121.833 121.223 -0.515 0.000 2.095 311 L HA 0.034 4.374 4.340 0.001 0.000 0.204 311 L C 2.260 178.920 176.870 -0.352 0.000 1.080 311 L CA 1.340 55.854 54.840 -0.543 0.000 0.759 311 L CB -0.464 41.087 42.059 -0.847 0.000 0.914 311 L HN 0.064 nan 8.230 nan 0.000 0.439 312 A N -0.244 122.398 122.820 -0.296 0.000 1.940 312 A HA -0.131 4.189 4.320 0.001 0.000 0.219 312 A C 2.420 179.900 177.584 -0.173 0.000 1.176 312 A CA 1.801 53.717 52.037 -0.202 0.000 0.631 312 A CB -1.145 17.759 19.000 -0.160 0.000 0.814 312 A HN 0.560 nan 8.150 nan 0.000 0.446 313 A N -0.353 122.364 122.820 -0.172 0.000 1.930 313 A HA 0.221 4.541 4.320 0.001 0.000 0.217 313 A C 2.447 179.941 177.584 -0.149 0.000 1.175 313 A CA 1.887 53.840 52.037 -0.140 0.000 0.627 313 A CB -0.833 18.093 19.000 -0.124 0.000 0.815 313 A HN 1.013 nan 8.150 nan 0.000 0.443 314 A N -0.790 121.920 122.820 -0.184 0.000 1.968 314 A HA 0.114 4.434 4.320 0.001 0.000 0.217 314 A C 2.172 179.629 177.584 -0.211 0.000 1.169 314 A CA 1.523 53.450 52.037 -0.183 0.000 0.638 314 A CB -0.627 18.253 19.000 -0.201 0.000 0.812 314 A HN 0.320 nan 8.150 nan 0.000 0.446 315 V N 0.861 120.626 119.914 -0.249 0.000 2.379 315 V HA -0.198 3.923 4.120 0.001 0.000 0.245 315 V C 2.978 178.939 176.094 -0.221 0.000 1.044 315 V CA 2.193 64.304 62.300 -0.315 0.000 1.036 315 V CB -0.660 30.968 31.823 -0.325 0.000 0.664 315 V HN 0.807 nan 8.190 nan 0.000 0.453 316 S N 1.108 116.712 115.700 -0.159 0.000 2.419 316 S HA -0.188 4.282 4.470 0.001 0.000 0.235 316 S C 1.775 176.314 174.600 -0.101 0.000 1.019 316 S CA 1.690 59.823 58.200 -0.112 0.000 0.982 316 S CB -0.541 62.603 63.200 -0.093 0.000 0.789 316 S HN 0.635 nan 8.310 nan 0.000 0.490 317 K N 0.639 120.971 120.400 -0.113 0.000 2.446 317 K HA 0.611 4.932 4.320 0.001 0.000 0.203 317 K C 0.317 176.859 176.600 -0.097 0.000 1.027 317 K CA -0.059 56.172 56.287 -0.093 0.000 1.166 317 K CB -0.669 31.779 32.500 -0.086 0.000 0.869 317 K HN 0.572 nan 8.250 nan 0.000 0.504 318 L N 0.510 121.660 121.223 -0.121 0.000 2.343 318 L HA 0.433 4.774 4.340 0.001 0.000 0.275 318 L C 0.208 177.028 176.870 -0.085 0.000 1.056 318 L CA -0.881 53.889 54.840 -0.117 0.000 0.804 318 L CB 1.998 43.948 42.059 -0.183 0.000 1.203 318 L HN 0.179 nan 8.230 nan 0.000 0.440 319 K N 1.622 121.983 120.400 -0.065 0.000 2.307 319 K HA 0.510 4.831 4.320 0.001 0.000 0.263 319 K C -1.325 175.236 176.600 -0.065 0.000 0.973 319 K CA -0.611 55.641 56.287 -0.058 0.000 0.846 319 K CB 1.566 34.039 32.500 -0.045 0.000 1.100 319 K HN 0.318 nan 8.250 nan 0.000 0.438 320 V N 3.043 122.885 119.914 -0.120 0.000 2.383 320 V HA 0.709 4.829 4.120 0.001 0.000 0.275 320 V C 0.513 176.448 176.094 -0.265 0.000 1.036 320 V CA -0.465 61.722 62.300 -0.189 0.000 0.889 320 V CB 0.949 32.508 31.823 -0.440 0.000 0.985 320 V HN 0.956 nan 8.190 nan 0.000 0.459 321 G N 2.609 111.317 108.800 -0.153 0.000 2.601 321 G HA2 0.640 4.600 3.960 0.001 0.000 0.291 321 G HA3 0.640 4.600 3.960 0.001 0.000 0.291 321 G C -0.550 174.371 174.900 0.035 0.000 1.456 321 G CA -0.475 44.490 45.100 -0.226 0.000 0.804 321 G HN 0.911 nan 8.290 nan 0.000 0.499 322 R N -0.408 120.102 120.500 0.016 0.000 2.585 322 R HA 0.477 4.817 4.340 0.001 0.000 0.275 322 R C 1.855 178.249 176.300 0.157 0.000 1.018 322 R CA 1.195 57.460 56.100 0.276 0.000 1.072 322 R CB -0.480 29.914 30.300 0.156 0.000 0.953 322 R HN 2.220 nan 8.270 nan 0.000 0.419 323 G N 0.741 109.634 108.800 0.155 0.000 2.597 323 G HA2 -0.395 3.565 3.960 0.001 0.000 0.222 323 G HA3 -0.395 3.565 3.960 0.001 0.000 0.222 323 G C 1.706 176.638 174.900 0.052 0.000 1.135 323 G CA 1.955 47.106 45.100 0.085 0.000 0.759 323 G HN 1.102 nan 8.290 nan 0.000 0.595 324 T N -1.350 113.230 114.554 0.044 0.000 3.035 324 T HA 0.129 4.480 4.350 0.001 0.000 0.268 324 T C 1.130 175.839 174.700 0.015 0.000 1.109 324 T CA 0.908 63.022 62.100 0.024 0.000 1.119 324 T CB 0.096 68.974 68.868 0.017 0.000 0.900 324 T HN 0.528 nan 8.240 nan 0.000 0.503 325 E N 1.008 121.218 120.200 0.016 0.000 2.569 325 E HA 0.241 4.591 4.350 0.001 0.000 0.258 325 E C -0.606 175.994 176.600 0.000 0.000 1.390 325 E CA -0.226 56.175 56.400 0.001 0.000 1.049 325 E CB 0.432 30.127 29.700 -0.009 0.000 1.009 325 E HN 0.166 nan 8.360 nan 0.000 0.580 326 S N -0.787 114.909 115.700 -0.007 0.000 2.456 326 S HA 0.482 4.953 4.470 0.001 0.000 0.316 326 S C 0.116 174.709 174.600 -0.011 0.000 1.089 326 S CA 0.195 58.391 58.200 -0.007 0.000 1.101 326 S CB 1.362 64.557 63.200 -0.008 0.000 0.995 326 S HN 0.778 nan 8.310 nan 0.000 0.468 327 G N 2.496 111.291 108.800 -0.008 0.000 2.176 327 G HA2 -0.192 3.769 3.960 0.001 0.000 0.253 327 G HA3 -0.192 3.769 3.960 0.001 0.000 0.253 327 G C 0.214 175.106 174.900 -0.013 0.000 0.979 327 G CA -0.114 44.978 45.100 -0.012 0.000 0.641 327 G HN 1.169 nan 8.290 nan 0.000 0.530 328 A N 0.835 123.652 122.820 -0.006 0.000 2.410 328 A HA 0.652 4.973 4.320 0.001 0.000 0.292 328 A C 1.448 179.043 177.584 0.017 0.000 1.232 328 A CA 1.332 53.370 52.037 0.002 0.000 0.893 328 A CB 0.086 19.096 19.000 0.017 0.000 1.131 328 A HN 1.223 nan 8.150 nan 0.000 0.530 329 T N 0.776 115.336 114.554 0.011 0.000 3.023 329 T HA 0.282 4.633 4.350 0.001 0.000 0.249 329 T C 0.361 175.088 174.700 0.044 0.000 1.050 329 T CA 0.263 62.375 62.100 0.020 0.000 1.088 329 T CB -0.251 68.618 68.868 0.001 0.000 0.946 329 T HN 0.346 nan 8.240 nan 0.000 0.480 330 L N 2.308 123.562 121.223 0.052 0.000 2.298 330 L HA 0.689 5.029 4.340 0.001 0.000 0.284 330 L C 0.977 177.935 176.870 0.146 0.000 1.013 330 L CA -1.115 53.781 54.840 0.093 0.000 0.824 330 L CB 1.465 43.576 42.059 0.087 0.000 1.221 330 L HN 0.263 nan 8.230 nan 0.000 0.418 331 G N 3.582 112.455 108.800 0.121 0.000 2.553 331 G HA2 0.443 4.403 3.960 0.001 0.000 0.278 331 G HA3 0.443 4.403 3.960 0.001 0.000 0.278 331 G C -2.580 172.292 174.900 -0.045 0.000 1.349 331 G CA -0.818 44.343 45.100 0.101 0.000 1.037 331 G HN 0.342 nan 8.290 nan 0.000 0.508 332 P HA 0.302 nan 4.420 nan 0.000 0.281 332 P C -0.560 176.586 177.300 -0.258 0.000 1.264 332 P CA -0.770 61.915 63.100 -0.692 0.000 0.824 332 P CB 1.207 32.125 31.700 -1.302 0.000 1.092 333 L N 1.865 122.997 121.223 -0.152 0.000 2.483 333 L HA 0.071 4.411 4.340 0.001 0.000 0.276 333 L C 2.139 178.908 176.870 -0.168 0.000 1.213 333 L CA 0.264 55.048 54.840 -0.094 0.000 0.843 333 L CB -0.796 41.227 42.059 -0.060 0.000 1.107 333 L HN 0.402 nan 8.230 nan 0.000 0.487 334 I N 1.965 122.398 120.570 -0.228 0.000 2.361 334 I HA -0.210 3.960 4.170 0.001 0.000 0.251 334 I C 0.476 176.418 176.117 -0.291 0.000 1.133 334 I CA 0.978 62.070 61.300 -0.348 0.000 1.413 334 I CB -0.003 37.543 38.000 -0.755 0.000 1.073 334 I HN 0.988 nan 8.210 nan 0.000 0.424 335 N N -2.156 116.389 118.700 -0.259 0.000 2.934 335 N HA 0.080 4.820 4.740 0.001 0.000 0.253 335 N C 0.287 175.727 175.510 -0.117 0.000 1.466 335 N CA -0.452 52.498 53.050 -0.168 0.000 0.858 335 N CB 0.479 38.854 38.487 -0.188 0.000 1.459 335 N HN -0.155 nan 8.380 nan 0.000 0.532 336 E N 0.312 120.463 120.200 -0.081 0.000 2.085 336 E HA -0.083 4.268 4.350 0.001 0.000 0.194 336 E C 1.587 178.151 176.600 -0.059 0.000 0.994 336 E CA 2.230 58.595 56.400 -0.058 0.000 0.801 336 E CB -0.691 28.977 29.700 -0.054 0.000 0.743 336 E HN 0.663 nan 8.360 nan 0.000 0.453 337 A N 0.614 123.391 122.820 -0.071 0.000 1.972 337 A HA 0.024 4.345 4.320 0.001 0.000 0.219 337 A C 2.423 179.962 177.584 -0.075 0.000 1.169 337 A CA 1.885 53.884 52.037 -0.063 0.000 0.635 337 A CB -0.894 18.069 19.000 -0.061 0.000 0.810 337 A HN 0.407 nan 8.150 nan 0.000 0.446 338 A N -0.419 122.341 122.820 -0.100 0.000 1.933 338 A HA 0.013 4.333 4.320 0.001 0.000 0.218 338 A C 2.195 179.705 177.584 -0.123 0.000 1.175 338 A CA 1.713 53.692 52.037 -0.097 0.000 0.628 338 A CB -0.864 18.070 19.000 -0.110 0.000 0.814 338 A HN 0.384 nan 8.150 nan 0.000 0.444 339 V N 0.322 120.169 119.914 -0.111 0.000 2.295 339 V HA -0.246 3.875 4.120 0.001 0.000 0.246 339 V C 3.167 179.183 176.094 -0.130 0.000 1.049 339 V CA 2.688 64.911 62.300 -0.129 0.000 1.024 339 V CB -1.287 30.540 31.823 0.007 0.000 0.648 339 V HN 0.727 nan 8.190 nan 0.000 0.447 340 K N 0.417 120.778 120.400 -0.066 0.000 2.097 340 K HA -0.218 4.103 4.320 0.001 0.000 0.206 340 K C 2.074 178.635 176.600 -0.065 0.000 1.049 340 K CA 1.985 58.250 56.287 -0.036 0.000 0.933 340 K CB -0.582 31.909 32.500 -0.015 0.000 0.717 340 K HN 0.484 nan 8.250 nan 0.000 0.442 341 K N 0.365 120.700 120.400 -0.108 0.000 2.057 341 K HA -0.048 4.272 4.320 0.001 0.000 0.207 341 K C 1.987 178.414 176.600 -0.289 0.000 1.049 341 K CA 1.583 57.765 56.287 -0.175 0.000 0.931 341 K CB -0.415 31.980 32.500 -0.175 0.000 0.714 341 K HN 0.179 nan 8.250 nan 0.000 0.440 342 V N 1.185 120.919 119.914 -0.299 0.000 2.358 342 V HA -0.182 3.939 4.120 0.001 0.000 0.246 342 V C 2.068 178.036 176.094 -0.210 0.000 1.047 342 V CA 1.878 63.968 62.300 -0.350 0.000 1.035 342 V CB -0.454 30.995 31.823 -0.623 0.000 0.658 342 V HN 0.378 nan 8.190 nan 0.000 0.452 343 E N 0.031 120.134 120.200 -0.162 0.000 2.130 343 E HA -0.245 4.105 4.350 0.001 0.000 0.196 343 E C 2.431 179.077 176.600 0.078 0.000 0.998 343 E CA 1.713 58.143 56.400 0.050 0.000 0.806 343 E CB -0.203 29.554 29.700 0.094 0.000 0.738 343 E HN 0.543 nan 8.360 nan 0.000 0.459 344 S N -0.589 115.143 115.700 0.054 0.000 2.377 344 S HA -0.126 4.344 4.470 0.001 0.000 0.223 344 S C 1.768 176.485 174.600 0.195 0.000 1.030 344 S CA 0.764 59.030 58.200 0.109 0.000 0.970 344 S CB -0.169 63.092 63.200 0.103 0.000 0.830 344 S HN 0.381 nan 8.310 nan 0.000 0.473 345 H N 0.218 119.306 119.070 0.029 0.000 2.353 345 H HA -0.024 4.533 4.556 0.001 0.000 0.300 345 H C 2.110 177.463 175.328 0.042 0.000 1.090 345 H CA 1.669 57.739 56.048 0.037 0.000 1.327 345 H CB -0.099 29.683 29.762 0.032 0.000 1.383 345 H HN 0.382 nan 8.280 nan 0.000 0.508 346 I N 0.635 121.315 120.570 0.184 0.000 2.226 346 I HA -0.239 3.932 4.170 0.001 0.000 0.245 346 I C 2.821 179.002 176.117 0.107 0.000 1.100 346 I CA 0.862 62.246 61.300 0.139 0.000 1.374 346 I CB -0.194 37.911 38.000 0.176 0.000 1.057 346 I HN 0.250 nan 8.210 nan 0.000 0.413 347 A N 0.383 123.267 122.820 0.107 0.000 1.898 347 A HA -0.281 4.039 4.320 0.001 0.000 0.216 347 A C 1.966 179.588 177.584 0.062 0.000 1.181 347 A CA 2.215 54.300 52.037 0.080 0.000 0.620 347 A CB -0.735 18.312 19.000 0.079 0.000 0.819 347 A HN 0.494 nan 8.150 nan 0.000 0.442 348 D N -0.255 120.185 120.400 0.066 0.000 2.078 348 D HA -0.049 4.591 4.640 0.001 0.000 0.193 348 D C 2.050 178.365 176.300 0.025 0.000 0.990 348 D CA 1.905 55.931 54.000 0.044 0.000 0.827 348 D CB -0.248 40.576 40.800 0.040 0.000 0.975 348 D HN 0.309 nan 8.370 nan 0.000 0.451 349 A N 0.547 123.378 122.820 0.018 0.000 1.917 349 A HA -0.153 4.167 4.320 0.001 0.000 0.219 349 A C 2.286 179.872 177.584 0.003 0.000 1.182 349 A CA 1.210 53.245 52.037 -0.005 0.000 0.633 349 A CB -1.002 17.988 19.000 -0.017 0.000 0.819 349 A HN 0.433 nan 8.150 nan 0.000 0.448 350 L N -0.442 120.795 121.223 0.023 0.000 2.013 350 L HA -0.192 4.149 4.340 0.001 0.000 0.212 350 L C 2.688 179.569 176.870 0.018 0.000 1.073 350 L CA 2.375 57.230 54.840 0.024 0.000 0.753 350 L CB -1.397 40.685 42.059 0.039 0.000 0.890 350 L HN 0.446 nan 8.230 nan 0.000 0.432 351 A N -1.445 121.388 122.820 0.022 0.000 2.239 351 A HA -0.112 4.208 4.320 0.001 0.000 0.209 351 A C 1.857 179.449 177.584 0.014 0.000 1.171 351 A CA 0.780 52.828 52.037 0.019 0.000 0.768 351 A CB -0.303 18.712 19.000 0.024 0.000 0.790 351 A HN 0.437 nan 8.150 nan 0.000 0.478 352 K N -1.938 118.467 120.400 0.008 0.000 2.483 352 K HA 0.327 4.647 4.320 0.001 0.000 0.206 352 K C 0.770 177.369 176.600 -0.001 0.000 1.086 352 K CA 0.494 56.783 56.287 0.005 0.000 1.052 352 K CB 0.722 33.225 32.500 0.004 0.000 0.904 352 K HN 0.491 nan 8.250 nan 0.000 0.557 353 G N 0.648 109.447 108.800 -0.001 0.000 2.192 353 G HA2 -0.192 3.769 3.960 0.001 0.000 0.193 353 G HA3 -0.192 3.769 3.960 0.001 0.000 0.193 353 G C 0.140 175.036 174.900 -0.008 0.000 0.999 353 G CA -0.197 44.901 45.100 -0.003 0.000 0.659 353 G HN 0.357 nan 8.290 nan 0.000 0.503 354 A N 0.103 122.915 122.820 -0.013 0.000 2.386 354 A HA 0.766 5.086 4.320 0.001 0.000 0.248 354 A C 0.622 178.206 177.584 0.001 0.000 1.082 354 A CA 0.894 52.921 52.037 -0.017 0.000 0.789 354 A CB 0.680 19.659 19.000 -0.034 0.000 1.025 354 A HN 0.978 nan 8.150 nan 0.000 0.490 355 S N 0.074 115.778 115.700 0.006 0.000 2.503 355 S HA 0.498 4.969 4.470 0.001 0.000 0.301 355 S C -0.625 173.982 174.600 0.012 0.000 1.087 355 S CA -0.459 57.748 58.200 0.012 0.000 1.042 355 S CB 1.143 64.353 63.200 0.017 0.000 1.043 355 S HN 0.606 nan 8.310 nan 0.000 0.489 356 L N 3.267 124.498 121.223 0.013 0.000 2.331 356 L HA 0.410 4.750 4.340 0.001 0.000 0.278 356 L C 0.624 177.495 176.870 0.001 0.000 1.106 356 L CA 0.629 55.478 54.840 0.015 0.000 0.824 356 L CB 0.610 42.680 42.059 0.019 0.000 1.142 356 L HN 0.873 nan 8.230 nan 0.000 0.443 357 M N 1.726 121.322 119.600 -0.006 0.000 2.538 357 M HA 0.188 4.668 4.480 0.001 0.000 0.259 357 M C -0.087 176.193 176.300 -0.034 0.000 1.217 357 M CA 0.273 55.557 55.300 -0.027 0.000 1.131 357 M CB 0.656 33.227 32.600 -0.047 0.000 1.382 357 M HN 0.689 nan 8.290 nan 0.000 0.520 358 T N -1.059 113.482 114.554 -0.021 0.000 2.827 358 T HA 0.526 4.876 4.350 0.001 0.000 0.328 358 T C -0.189 174.512 174.700 0.002 0.000 1.598 358 T CA 0.240 62.325 62.100 -0.025 0.000 1.043 358 T CB 0.987 69.825 68.868 -0.051 0.000 1.447 358 T HN 0.655 nan 8.240 nan 0.000 0.491 359 G N 1.732 110.527 108.800 -0.009 0.000 2.566 359 G HA2 0.243 4.203 3.960 0.001 0.000 0.280 359 G HA3 0.243 4.203 3.960 0.001 0.000 0.280 359 G C 1.103 176.003 174.900 -0.001 0.000 1.225 359 G CA 1.414 46.511 45.100 -0.005 0.000 0.966 359 G HN 2.461 nan 8.290 nan 0.000 0.560 360 G N -3.657 105.162 108.800 0.032 0.000 2.201 360 G HA2 0.493 4.454 3.960 0.001 0.000 0.212 360 G HA3 0.493 4.454 3.960 0.001 0.000 0.212 360 G C 0.599 175.509 174.900 0.016 0.000 0.994 360 G CA 1.634 46.792 45.100 0.096 0.000 0.644 360 G HN 2.507 nan 8.290 nan 0.000 0.508 361 K N 0.180 120.416 120.400 -0.273 0.000 2.433 361 K HA 0.906 5.227 4.320 0.001 0.000 0.252 361 K C 0.234 176.351 176.600 -0.805 0.000 1.015 361 K CA -0.355 55.727 56.287 -0.341 0.000 0.860 361 K CB 0.749 33.149 32.500 -0.167 0.000 1.359 361 K HN 0.570 nan 8.250 nan 0.000 0.452 362 R N 1.491 121.707 120.500 -0.473 0.000 2.590 362 R HA 0.149 4.489 4.340 0.001 0.000 0.274 362 R C 0.218 176.411 176.300 -0.179 0.000 1.061 362 R CA -0.538 55.364 56.100 -0.331 0.000 1.081 362 R CB 0.331 30.641 30.300 0.016 0.000 0.984 362 R HN 0.736 nan 8.270 nan 0.000 0.448 363 H N 1.214 120.201 119.070 -0.139 0.000 2.562 363 H HA 0.089 4.646 4.556 0.001 0.000 0.352 363 H C 0.810 176.128 175.328 -0.017 0.000 1.125 363 H CA 0.325 56.334 56.048 -0.064 0.000 1.379 363 H CB 1.548 31.322 29.762 0.021 0.000 1.464 363 H HN 0.761 nan 8.280 nan 0.000 0.563 364 A N 4.967 127.459 122.820 -0.546 0.000 1.903 364 A HA -0.269 4.051 4.320 0.001 0.000 0.219 364 A C 2.866 180.413 177.584 -0.062 0.000 1.191 364 A CA 2.608 54.466 52.037 -0.298 0.000 0.638 364 A CB -1.435 17.332 19.000 -0.389 0.000 0.823 364 A HN 0.718 nan 8.150 nan 0.000 0.451 365 L N -1.818 119.447 121.223 0.071 0.000 2.551 365 L HA 0.312 4.652 4.340 0.001 0.000 0.230 365 L C 2.342 179.365 176.870 0.254 0.000 1.163 365 L CA 2.030 56.922 54.840 0.087 0.000 0.826 365 L CB -2.307 39.633 42.059 -0.199 0.000 0.943 365 L HN 1.895 nan 8.230 nan 0.000 0.452 366 G N -2.225 106.736 108.800 0.268 0.000 2.779 366 G HA2 -0.402 3.559 3.960 0.001 0.000 0.284 366 G HA3 -0.402 3.559 3.960 0.001 0.000 0.284 366 G C 0.739 175.840 174.900 0.335 0.000 1.326 366 G CA 1.158 46.406 45.100 0.247 0.000 0.983 366 G HN 0.910 nan 8.290 nan 0.000 0.555 367 H N -0.190 118.997 119.070 0.195 0.000 1.485 367 H HA -0.231 4.325 4.556 0.001 0.000 0.093 367 H C 2.596 177.964 175.328 0.067 0.000 1.023 367 H CA 3.965 60.082 56.048 0.114 0.000 1.895 367 H CB -0.953 28.869 29.762 0.099 0.000 2.254 367 H HN 1.140 nan 8.280 nan 0.000 0.962 368 G N -1.310 107.559 108.800 0.115 0.000 2.833 368 G HA2 0.089 4.049 3.960 0.001 0.000 0.210 368 G HA3 0.089 4.049 3.960 0.001 0.000 0.210 368 G C -0.237 174.663 174.900 -0.000 0.000 1.139 368 G CA -0.224 44.855 45.100 -0.035 0.000 0.771 368 G HN 0.153 nan 8.290 nan 0.000 0.535 369 F N 0.485 120.529 119.950 0.158 0.000 2.629 369 F HA 0.397 4.925 4.527 0.001 0.000 0.377 369 F C -0.009 175.939 175.800 0.248 0.000 1.101 369 F CA -0.042 58.043 58.000 0.141 0.000 1.301 369 F CB 0.260 39.308 39.000 0.079 0.000 1.062 369 F HN -0.026 nan 8.300 nan 0.000 0.583 370 F N 1.901 121.986 119.950 0.225 0.000 2.578 370 F HA 0.345 4.873 4.527 0.001 0.000 0.311 370 F C -0.324 175.573 175.800 0.163 0.000 1.094 370 F CA -1.041 57.069 58.000 0.184 0.000 0.923 370 F CB 1.335 40.408 39.000 0.122 0.000 1.230 370 F HN 0.425 nan 8.300 nan 0.000 0.450 371 E N 6.026 126.149 120.200 -0.128 0.000 2.376 371 E HA 0.144 4.494 4.350 0.001 0.000 0.266 371 E C -2.287 174.433 176.600 0.200 0.000 1.009 371 E CA -1.595 54.811 56.400 0.010 0.000 0.902 371 E CB 0.341 29.976 29.700 -0.108 0.000 0.972 371 E HN 0.174 nan 8.360 nan 0.000 0.439 372 P HA -0.020 nan 4.420 nan 0.000 0.267 372 P C -0.845 176.570 177.300 0.191 0.000 1.205 372 P CA 0.052 63.286 63.100 0.223 0.000 0.765 372 P CB 0.792 32.469 31.700 -0.039 0.000 0.828 373 T N 2.273 117.011 114.554 0.306 0.000 2.863 373 T HA 0.440 4.791 4.350 0.001 0.000 0.285 373 T C -0.310 174.504 174.700 0.190 0.000 1.009 373 T CA -0.508 61.724 62.100 0.219 0.000 0.989 373 T CB 1.380 70.411 68.868 0.272 0.000 1.004 373 T HN 0.087 nan 8.240 nan 0.000 0.455 374 V N 3.914 123.882 119.914 0.091 0.000 2.487 374 V HA 0.526 4.646 4.120 0.001 0.000 0.298 374 V C -0.559 175.546 176.094 0.018 0.000 1.028 374 V CA -0.792 61.530 62.300 0.036 0.000 0.860 374 V CB 1.539 33.331 31.823 -0.052 0.000 0.991 374 V HN 0.722 nan 8.190 nan 0.000 0.427 375 L N 4.531 125.764 121.223 0.017 0.000 2.334 375 L HA 0.806 5.147 4.340 0.001 0.000 0.276 375 L C 0.340 177.198 176.870 -0.020 0.000 1.014 375 L CA -0.234 54.606 54.840 0.001 0.000 0.815 375 L CB 2.517 44.577 42.059 0.002 0.000 1.268 375 L HN 0.845 nan 8.230 nan 0.000 0.428 376 T N -2.254 112.300 114.554 0.000 0.000 2.926 376 T HA 0.634 4.984 4.350 0.001 0.000 0.289 376 T C 0.649 175.384 174.700 0.059 0.000 1.054 376 T CA -0.157 61.983 62.100 0.066 0.000 1.015 376 T CB 1.768 70.701 68.868 0.109 0.000 1.167 376 T HN 0.924 nan 8.240 nan 0.000 0.526 377 G N 0.048 108.920 108.800 0.120 0.000 2.176 377 G HA2 -0.187 3.774 3.960 0.001 0.000 0.252 377 G HA3 -0.187 3.774 3.960 0.001 0.000 0.252 377 G C -0.014 174.836 174.900 -0.083 0.000 1.024 377 G CA -0.054 45.049 45.100 0.005 0.000 0.755 377 G HN 1.134 nan 8.290 nan 0.000 0.507 378 V N 0.076 119.879 119.914 -0.185 0.000 2.508 378 V HA 0.660 4.780 4.120 0.001 0.000 0.281 378 V C 0.799 176.642 176.094 -0.419 0.000 1.041 378 V CA 0.733 62.775 62.300 -0.430 0.000 1.016 378 V CB 0.692 32.013 31.823 -0.837 0.000 0.984 378 V HN 0.877 nan 8.190 nan 0.000 0.478 379 K N 5.890 126.173 120.400 -0.195 0.000 2.258 379 K HA 0.697 5.017 4.320 0.001 0.000 0.236 379 K C -2.288 174.450 176.600 0.230 0.000 1.008 379 K CA -1.709 54.605 56.287 0.045 0.000 0.869 379 K CB 0.446 32.968 32.500 0.038 0.000 1.171 379 K HN 0.465 nan 8.250 nan 0.000 0.447 380 P HA -0.070 nan 4.420 nan 0.000 0.226 380 P C 0.265 177.676 177.300 0.186 0.000 1.153 380 P CA 1.100 64.388 63.100 0.312 0.000 0.777 380 P CB 0.255 32.088 31.700 0.223 0.000 0.794 381 D N -1.636 118.839 120.400 0.126 0.000 2.347 381 D HA -0.085 4.556 4.640 0.001 0.000 0.215 381 D C 0.689 177.028 176.300 0.064 0.000 0.976 381 D CA 0.575 54.622 54.000 0.079 0.000 0.884 381 D CB -0.825 40.008 40.800 0.055 0.000 0.915 381 D HN 0.156 nan 8.370 nan 0.000 0.526 382 M N 0.459 120.103 119.600 0.073 0.000 2.247 382 M HA 0.135 4.616 4.480 0.001 0.000 0.326 382 M C 0.775 177.083 176.300 0.014 0.000 1.134 382 M CA -0.559 54.759 55.300 0.030 0.000 1.136 382 M CB 0.908 33.506 32.600 -0.003 0.000 1.454 382 M HN -0.318 nan 8.290 nan 0.000 0.467 383 D N 0.685 121.052 120.400 -0.055 0.000 2.178 383 D HA -0.116 4.524 4.640 0.001 0.000 0.201 383 D C 1.789 177.933 176.300 -0.261 0.000 0.980 383 D CA 1.034 54.958 54.000 -0.128 0.000 0.842 383 D CB -0.000 40.710 40.800 -0.149 0.000 0.948 383 D HN 0.409 nan 8.370 nan 0.000 0.472 384 V N 0.713 120.449 119.914 -0.296 0.000 2.809 384 V HA -0.103 4.017 4.120 0.001 0.000 0.256 384 V C 2.106 178.243 176.094 0.072 0.000 1.080 384 V CA 1.603 63.766 62.300 -0.229 0.000 1.102 384 V CB -0.313 31.462 31.823 -0.080 0.000 0.705 384 V HN 0.158 nan 8.190 nan 0.000 0.475 385 A N -0.260 122.663 122.820 0.172 0.000 2.070 385 A HA -0.091 4.229 4.320 0.001 0.000 0.220 385 A C 2.213 179.858 177.584 0.102 0.000 1.159 385 A CA 2.258 54.405 52.037 0.183 0.000 0.656 385 A CB -0.461 18.682 19.000 0.239 0.000 0.800 385 A HN 0.661 nan 8.150 nan 0.000 0.453 386 K N -0.553 119.904 120.400 0.095 0.000 2.464 386 K HA 0.358 4.678 4.320 0.001 0.000 0.206 386 K C 0.324 177.039 176.600 0.193 0.000 1.186 386 K CA 0.464 56.826 56.287 0.126 0.000 0.990 386 K CB 0.235 32.789 32.500 0.091 0.000 1.003 386 K HN 0.613 nan 8.250 nan 0.000 0.562 387 E N 0.548 120.841 120.200 0.155 0.000 2.238 387 E HA 0.277 4.628 4.350 0.001 0.000 0.267 387 E C -1.247 175.494 176.600 0.235 0.000 0.887 387 E CA -0.707 55.829 56.400 0.226 0.000 0.769 387 E CB 2.027 31.896 29.700 0.282 0.000 1.187 387 E HN 0.397 nan 8.360 nan 0.000 0.416 388 E N 0.780 121.079 120.200 0.166 0.000 2.360 388 E HA 0.048 4.398 4.350 0.001 0.000 0.269 388 E C 0.248 176.945 176.600 0.161 0.000 1.022 388 E CA 0.144 56.569 56.400 0.042 0.000 0.887 388 E CB 1.022 30.611 29.700 -0.186 0.000 0.990 388 E HN 0.448 nan 8.360 nan 0.000 0.426 389 T N 2.712 117.305 114.554 0.063 0.000 2.937 389 T HA -0.026 4.324 4.350 0.001 0.000 0.260 389 T C 0.277 175.008 174.700 0.051 0.000 1.051 389 T CA 0.000 62.101 62.100 0.001 0.000 1.141 389 T CB -0.147 68.763 68.868 0.071 0.000 0.879 389 T HN 0.596 nan 8.240 nan 0.000 0.459 390 F N 1.162 121.103 119.950 -0.017 0.000 2.969 390 F HA -0.069 4.459 4.527 0.001 0.000 0.273 390 F C 0.753 176.555 175.800 0.003 0.000 0.986 390 F CA 0.373 58.381 58.000 0.013 0.000 0.926 390 F CB -1.430 37.611 39.000 0.068 0.000 0.887 390 F HN 0.422 nan 8.300 nan 0.000 0.816 391 G N -0.435 108.406 108.800 0.068 0.000 2.387 391 G HA2 0.476 4.437 3.960 0.001 0.000 0.294 391 G HA3 0.476 4.437 3.960 0.001 0.000 0.294 391 G C -3.158 171.739 174.900 -0.006 0.000 1.509 391 G CA -0.968 44.148 45.100 0.027 0.000 0.806 391 G HN -0.201 nan 8.290 nan 0.000 0.546 392 P HA 0.192 nan 4.420 nan 0.000 0.238 392 P C -0.570 176.845 177.300 0.192 0.000 1.679 392 P CA 0.095 63.295 63.100 0.166 0.000 1.080 392 P CB 0.055 32.001 31.700 0.410 0.000 1.961 393 L N 1.451 122.696 121.223 0.037 0.000 2.349 393 L HA 0.693 5.034 4.340 0.001 0.000 0.278 393 L C -0.793 176.129 176.870 0.086 0.000 0.996 393 L CA -1.128 53.774 54.840 0.103 0.000 0.825 393 L CB 1.781 43.897 42.059 0.094 0.000 1.243 393 L HN 0.079 nan 8.230 nan 0.000 0.412 394 A N 7.165 130.084 122.820 0.164 0.000 2.322 394 A HA 0.815 5.135 4.320 0.001 0.000 0.327 394 A C -2.632 175.075 177.584 0.205 0.000 1.394 394 A CA -1.282 50.904 52.037 0.248 0.000 0.921 394 A CB -0.108 18.989 19.000 0.162 0.000 1.153 394 A HN 0.539 nan 8.150 nan 0.000 0.523 395 P HA 0.392 nan 4.420 nan 0.000 0.297 395 P C -0.779 176.619 177.300 0.163 0.000 1.331 395 P CA -0.131 63.036 63.100 0.112 0.000 0.803 395 P CB 1.079 32.832 31.700 0.088 0.000 0.929 396 L N 4.766 125.995 121.223 0.009 0.000 2.264 396 L HA 0.435 4.775 4.340 0.001 0.000 0.287 396 L C 0.109 177.022 176.870 0.071 0.000 1.039 396 L CA -0.522 54.387 54.840 0.114 0.000 0.829 396 L CB -0.067 42.004 42.059 0.020 0.000 1.211 396 L HN 0.249 nan 8.230 nan 0.000 0.427 397 F N 2.243 122.230 119.950 0.063 0.000 2.378 397 F HA 0.528 5.056 4.527 0.001 0.000 0.325 397 F C 0.731 176.680 175.800 0.248 0.000 1.097 397 F CA -0.485 57.526 58.000 0.020 0.000 1.079 397 F CB 1.132 39.861 39.000 -0.452 0.000 1.240 397 F HN 0.411 nan 8.300 nan 0.000 0.519 398 R N 1.687 122.415 120.500 0.379 0.000 2.732 398 R HA 0.659 5.000 4.340 0.001 0.000 0.278 398 R C -1.568 174.951 176.300 0.364 0.000 0.976 398 R CA -0.566 55.650 56.100 0.194 0.000 0.963 398 R CB 1.475 31.660 30.300 -0.191 0.000 1.150 398 R HN 0.660 nan 8.270 nan 0.000 0.478 399 F N -0.446 119.540 119.950 0.060 0.000 2.664 399 F HA 0.737 5.265 4.527 0.000 0.000 0.317 399 F C -0.593 175.061 175.800 -0.244 0.000 1.108 399 F CA -0.725 57.250 58.000 -0.041 0.000 0.957 399 F CB 1.709 40.692 39.000 -0.029 0.000 1.365 399 F HN 0.478 nan 8.300 nan 0.000 0.475 400 A N 0.274 123.055 122.820 -0.065 0.000 2.312 400 A HA 0.620 4.940 4.320 0.001 0.000 0.215 400 A C 0.173 177.748 177.584 -0.015 0.000 1.256 400 A CA 0.678 52.561 52.037 -0.256 0.000 0.966 400 A CB -0.442 18.501 19.000 -0.096 0.000 1.053 400 A HN 1.253 nan 8.150 nan 0.000 0.510 401 S N -1.646 114.204 115.700 0.250 0.000 2.596 401 S HA 0.446 4.916 4.470 0.001 0.000 0.270 401 S C 0.223 175.038 174.600 0.357 0.000 1.155 401 S CA 0.177 58.560 58.200 0.306 0.000 0.827 401 S CB 1.361 64.662 63.200 0.168 0.000 1.130 401 S HN 0.177 nan 8.310 nan 0.000 0.467 402 E N 0.569 120.967 120.200 0.331 0.000 2.107 402 E HA -0.124 4.227 4.350 0.001 0.000 0.191 402 E C 1.596 178.258 176.600 0.103 0.000 0.982 402 E CA 1.036 57.607 56.400 0.284 0.000 0.809 402 E CB -0.124 29.712 29.700 0.226 0.000 0.756 402 E HN 0.802 nan 8.360 nan 0.000 0.459 403 E N 0.669 120.916 120.200 0.078 0.000 2.085 403 E HA -0.263 4.087 4.350 0.001 0.000 0.194 403 E C 2.023 178.616 176.600 -0.012 0.000 0.994 403 E CA 1.453 57.868 56.400 0.025 0.000 0.801 403 E CB -0.015 29.703 29.700 0.030 0.000 0.743 403 E HN 0.303 nan 8.360 nan 0.000 0.453 404 E N 0.305 120.509 120.200 0.005 0.000 2.072 404 E HA -0.220 4.130 4.350 0.001 0.000 0.191 404 E C 2.292 178.800 176.600 -0.154 0.000 0.985 404 E CA 0.938 57.321 56.400 -0.028 0.000 0.801 404 E CB -0.161 29.564 29.700 0.043 0.000 0.750 404 E HN 0.274 nan 8.360 nan 0.000 0.452 405 L N 0.814 121.885 121.223 -0.254 0.000 1.971 405 L HA -0.218 4.123 4.340 0.001 0.000 0.215 405 L C 2.407 178.992 176.870 -0.475 0.000 1.072 405 L CA 1.749 56.224 54.840 -0.610 0.000 0.758 405 L CB -0.500 41.042 42.059 -0.862 0.000 0.889 405 L HN 0.083 nan 8.230 nan 0.000 0.433 406 V N -0.020 119.738 119.914 -0.260 0.000 2.332 406 V HA -0.318 3.803 4.120 0.001 0.000 0.248 406 V C 2.754 178.741 176.094 -0.178 0.000 1.055 406 V CA 2.268 64.457 62.300 -0.183 0.000 1.038 406 V CB -0.961 30.808 31.823 -0.090 0.000 0.651 406 V HN 0.534 nan 8.190 nan 0.000 0.450 407 R N -0.465 119.939 120.500 -0.159 0.000 2.066 407 R HA -0.143 4.198 4.340 0.001 0.000 0.232 407 R C 2.306 178.503 176.300 -0.172 0.000 1.131 407 R CA 1.515 57.537 56.100 -0.130 0.000 0.955 407 R CB -0.290 29.959 30.300 -0.085 0.000 0.851 407 R HN 0.332 nan 8.270 nan 0.000 0.432 408 L N 0.893 121.960 121.223 -0.259 0.000 1.990 408 L HA -0.161 4.180 4.340 0.001 0.000 0.213 408 L C 2.593 179.213 176.870 -0.417 0.000 1.072 408 L CA 2.211 56.846 54.840 -0.342 0.000 0.755 408 L CB -1.218 40.508 42.059 -0.555 0.000 0.889 408 L HN 0.298 nan 8.230 nan 0.000 0.432 409 A N -0.566 121.913 122.820 -0.568 0.000 1.883 409 A HA -0.215 4.106 4.320 0.001 0.000 0.217 409 A C 2.036 179.600 177.584 -0.034 0.000 1.186 409 A CA 2.039 53.868 52.037 -0.348 0.000 0.624 409 A CB -0.590 18.210 19.000 -0.333 0.000 0.822 409 A HN 0.539 nan 8.150 nan 0.000 0.444 410 N N 0.073 118.729 118.700 -0.074 0.000 2.463 410 N HA -0.031 4.709 4.740 0.001 0.000 0.181 410 N C -0.001 175.454 175.510 -0.092 0.000 1.078 410 N CA 0.531 53.535 53.050 -0.077 0.000 0.902 410 N CB -0.250 38.172 38.487 -0.108 0.000 0.970 410 N HN 0.402 nan 8.380 nan 0.000 0.451 411 D N 1.128 121.482 120.400 -0.077 0.000 2.662 411 D HA 0.024 4.664 4.640 0.001 0.000 0.228 411 D C -0.623 175.650 176.300 -0.044 0.000 1.090 411 D CA 0.498 54.461 54.000 -0.062 0.000 1.118 411 D CB -0.387 40.385 40.800 -0.047 0.000 1.129 411 D HN -0.043 nan 8.370 nan 0.000 0.472 412 T N -0.707 113.801 114.554 -0.077 0.000 2.893 412 T HA 0.436 4.786 4.350 0.001 0.000 0.337 412 T C 0.786 175.358 174.700 -0.213 0.000 1.587 412 T CA 0.128 62.174 62.100 -0.090 0.000 1.066 412 T CB 0.959 69.851 68.868 0.041 0.000 1.414 412 T HN 0.028 nan 8.240 nan 0.000 0.488 413 E N 2.189 122.146 120.200 -0.406 0.000 2.274 413 E HA 0.244 4.594 4.350 0.001 0.000 0.194 413 E C 0.191 176.469 176.600 -0.537 0.000 0.996 413 E CA 1.021 57.092 56.400 -0.549 0.000 0.840 413 E CB -0.316 28.930 29.700 -0.757 0.000 0.772 413 E HN 0.516 nan 8.360 nan 0.000 0.491 414 F N -1.145 118.765 119.950 -0.065 0.000 2.411 414 F HA 0.654 5.182 4.527 0.001 0.000 0.324 414 F C 1.268 176.957 175.800 -0.185 0.000 1.086 414 F CA -0.789 57.168 58.000 -0.071 0.000 1.028 414 F CB 2.171 41.171 39.000 0.000 0.000 1.284 414 F HN -0.018 nan 8.300 nan 0.000 0.501 415 G N 0.933 109.751 108.800 0.029 0.000 4.574 415 G HA2 0.344 4.305 3.960 0.001 0.000 0.236 415 G HA3 0.344 4.305 3.960 0.001 0.000 0.236 415 G C -0.538 174.361 174.900 -0.002 0.000 1.733 415 G CA -0.161 44.777 45.100 -0.271 0.000 0.605 415 G HN 0.548 nan 8.290 nan 0.000 0.352 416 L N 1.135 122.456 121.223 0.163 0.000 2.129 416 L HA 0.856 5.197 4.340 0.001 0.000 0.200 416 L C 1.321 178.185 176.870 -0.011 0.000 1.159 416 L CA 1.536 56.380 54.840 0.008 0.000 0.795 416 L CB -0.173 41.855 42.059 -0.052 0.000 0.951 416 L HN 0.392 nan 8.230 nan 0.000 0.463 417 A N -0.982 121.788 122.820 -0.082 0.000 2.337 417 A HA 0.856 5.176 4.320 0.001 0.000 0.331 417 A C -1.023 176.177 177.584 -0.640 0.000 1.137 417 A CA 0.010 51.842 52.037 -0.341 0.000 0.807 417 A CB 1.086 19.866 19.000 -0.367 0.000 1.250 417 A HN 0.558 nan 8.150 nan 0.000 0.468 418 A N 0.420 122.723 122.820 -0.862 0.000 2.498 418 A HA 0.804 5.124 4.320 0.001 0.000 0.298 418 A C -1.776 175.242 177.584 -0.945 0.000 1.075 418 A CA -0.426 51.044 52.037 -0.945 0.000 0.714 418 A CB 1.009 19.432 19.000 -0.961 0.000 1.299 418 A HN 0.853 nan 8.150 nan 0.000 0.407 419 Y N -0.057 120.067 120.300 -0.293 0.000 2.442 419 Y HA 0.681 5.232 4.550 0.001 0.000 0.344 419 Y C -0.582 175.091 175.900 -0.379 0.000 0.976 419 Y CA -0.843 57.069 58.100 -0.314 0.000 1.040 419 Y CB 2.330 40.596 38.460 -0.325 0.000 1.228 419 Y HN 0.633 nan 8.280 nan 0.000 0.451 420 L N 3.695 124.817 121.223 -0.169 0.000 2.439 420 L HA 0.561 4.901 4.340 0.001 0.000 0.270 420 L C -2.255 174.551 176.870 -0.106 0.000 0.972 420 L CA -0.871 53.909 54.840 -0.100 0.000 0.836 420 L CB 1.057 43.071 42.059 -0.075 0.000 1.255 420 L HN 0.589 nan 8.230 nan 0.000 0.404 421 Y N 3.775 124.050 120.300 -0.042 0.000 2.345 421 Y HA 0.741 5.292 4.550 0.001 0.000 0.331 421 Y C 0.263 176.278 175.900 0.191 0.000 0.959 421 Y CA -0.059 58.076 58.100 0.057 0.000 1.204 421 Y CB 1.997 40.498 38.460 0.068 0.000 1.135 421 Y HN 0.702 nan 8.280 nan 0.000 0.477 422 S N 2.092 117.911 115.700 0.198 0.000 2.565 422 S HA 0.521 4.991 4.470 0.001 0.000 0.269 422 S C -0.104 174.536 174.600 0.067 0.000 1.153 422 S CA -0.667 57.631 58.200 0.162 0.000 0.835 422 S CB 1.678 64.921 63.200 0.071 0.000 1.122 422 S HN 0.661 nan 8.310 nan 0.000 0.462 423 R N 1.153 121.685 120.500 0.052 0.000 2.250 423 R HA 0.341 4.681 4.340 0.001 0.000 0.194 423 R C -0.099 176.211 176.300 0.016 0.000 0.927 423 R CA 0.259 56.382 56.100 0.039 0.000 1.052 423 R CB 0.087 30.419 30.300 0.054 0.000 1.055 423 R HN 0.697 nan 8.270 nan 0.000 0.537 424 D N 0.991 121.386 120.400 -0.008 0.000 2.339 424 D HA -0.050 4.590 4.640 0.001 0.000 0.256 424 D C 1.271 177.575 176.300 0.007 0.000 1.214 424 D CA 0.033 54.025 54.000 -0.014 0.000 0.877 424 D CB 0.710 41.482 40.800 -0.047 0.000 1.111 424 D HN 0.162 nan 8.370 nan 0.000 0.478 425 I N 3.883 124.481 120.570 0.046 0.000 2.248 425 I HA -0.229 3.942 4.170 0.001 0.000 0.248 425 I C 1.918 178.139 176.117 0.172 0.000 1.107 425 I CA 1.583 62.960 61.300 0.129 0.000 1.373 425 I CB 0.012 38.086 38.000 0.123 0.000 1.055 425 I HN 0.538 nan 8.210 nan 0.000 0.418 426 G N 0.377 109.214 108.800 0.061 0.000 2.421 426 G HA2 -0.306 3.654 3.960 0.001 0.000 0.216 426 G HA3 -0.306 3.654 3.960 0.001 0.000 0.216 426 G C 1.765 176.693 174.900 0.046 0.000 1.171 426 G CA 0.820 45.944 45.100 0.039 0.000 0.775 426 G HN 0.370 nan 8.290 nan 0.000 0.543 427 R N -0.199 120.282 120.500 -0.032 0.000 2.081 427 R HA -0.039 4.301 4.340 0.001 0.000 0.235 427 R C 2.627 178.878 176.300 -0.081 0.000 1.131 427 R CA 1.410 57.431 56.100 -0.131 0.000 0.960 427 R CB -0.382 29.733 30.300 -0.309 0.000 0.856 427 R HN 0.257 nan 8.270 nan 0.000 0.436 428 V N -0.346 119.557 119.914 -0.018 0.000 2.261 428 V HA -0.257 3.864 4.120 0.001 0.000 0.246 428 V C 1.812 177.891 176.094 -0.026 0.000 1.047 428 V CA 1.982 64.262 62.300 -0.034 0.000 1.015 428 V CB -0.563 31.235 31.823 -0.040 0.000 0.642 428 V HN 0.470 nan 8.190 nan 0.000 0.446 429 W N 0.273 121.537 121.300 -0.060 0.000 2.358 429 W HA -0.095 4.566 4.660 0.001 0.000 0.303 429 W C 2.778 179.270 176.519 -0.045 0.000 1.208 429 W CA 1.507 58.824 57.345 -0.047 0.000 1.274 429 W CB -0.335 29.100 29.460 -0.042 0.000 1.138 429 W HN 0.068 nan 8.180 nan 0.000 0.515 430 R N -0.420 120.188 120.500 0.181 0.000 2.070 430 R HA -0.159 4.181 4.340 0.001 0.000 0.232 430 R C 1.908 178.234 176.300 0.044 0.000 1.138 430 R CA 2.009 58.163 56.100 0.089 0.000 0.936 430 R CB -1.238 29.085 30.300 0.040 0.000 0.839 430 R HN 0.098 nan 8.270 nan 0.000 0.429 431 V N 1.023 120.949 119.914 0.021 0.000 2.427 431 V HA -0.199 3.921 4.120 0.001 0.000 0.248 431 V C 2.460 178.546 176.094 -0.014 0.000 1.051 431 V CA 1.811 64.123 62.300 0.019 0.000 1.048 431 V CB -0.733 31.138 31.823 0.079 0.000 0.666 431 V HN 0.409 nan 8.190 nan 0.000 0.456 432 A N -0.383 122.406 122.820 -0.052 0.000 1.908 432 A HA -0.261 4.059 4.320 0.001 0.000 0.218 432 A C 2.221 179.760 177.584 -0.075 0.000 1.181 432 A CA 1.996 53.967 52.037 -0.109 0.000 0.627 432 A CB -0.457 18.407 19.000 -0.226 0.000 0.818 432 A HN 0.606 nan 8.150 nan 0.000 0.445 433 E N -0.648 119.534 120.200 -0.030 0.000 2.106 433 E HA -0.073 4.277 4.350 0.001 0.000 0.192 433 E C 2.225 178.822 176.600 -0.007 0.000 0.984 433 E CA 0.872 57.273 56.400 0.001 0.000 0.806 433 E CB -0.202 29.537 29.700 0.064 0.000 0.750 433 E HN 0.617 nan 8.360 nan 0.000 0.458 434 A N 0.875 123.692 122.820 -0.004 0.000 2.067 434 A HA 0.014 4.334 4.320 0.001 0.000 0.217 434 A C 1.184 178.756 177.584 -0.019 0.000 1.156 434 A CA 0.126 52.155 52.037 -0.014 0.000 0.683 434 A CB -0.201 18.792 19.000 -0.012 0.000 0.808 434 A HN 0.090 nan 8.150 nan 0.000 0.455 435 L N 1.445 122.668 121.223 0.000 0.000 2.477 435 L HA 0.039 4.379 4.340 0.001 0.000 0.272 435 L C 0.086 176.989 176.870 0.055 0.000 1.157 435 L CA -0.031 54.851 54.840 0.070 0.000 0.889 435 L CB 0.499 42.607 42.059 0.083 0.000 1.158 435 L HN 0.343 nan 8.230 nan 0.000 0.473 436 E N 4.578 124.740 120.200 -0.062 0.000 2.110 436 E HA 0.175 4.526 4.350 0.001 0.000 0.300 436 E C -1.416 174.832 176.600 -0.587 0.000 1.278 436 E CA -0.046 56.189 56.400 -0.275 0.000 1.365 436 E CB 0.128 29.647 29.700 -0.302 0.000 1.283 436 E HN 0.346 nan 8.360 nan 0.000 0.490 437 Y N -1.512 118.713 120.300 -0.125 0.000 2.524 437 Y HA 0.310 4.860 4.550 0.001 0.000 0.347 437 Y C 1.310 177.111 175.900 -0.164 0.000 1.005 437 Y CA -0.981 57.031 58.100 -0.147 0.000 1.025 437 Y CB 1.752 40.105 38.460 -0.179 0.000 1.275 437 Y HN 0.233 nan 8.280 nan 0.000 0.460 438 G N 1.365 110.140 108.800 -0.042 0.000 2.421 438 G HA2 0.004 3.965 3.960 0.001 0.000 0.217 438 G HA3 0.004 3.965 3.960 0.001 0.000 0.217 438 G C 0.123 174.936 174.900 -0.146 0.000 1.143 438 G CA 0.556 45.584 45.100 -0.120 0.000 0.784 438 G HN 0.442 nan 8.290 nan 0.000 0.541 439 M N 0.299 119.804 119.600 -0.159 0.000 2.267 439 M HA 0.453 4.933 4.480 0.001 0.000 0.289 439 M C -1.733 174.415 176.300 -0.253 0.000 1.043 439 M CA -0.478 54.698 55.300 -0.208 0.000 0.928 439 M CB 3.495 35.932 32.600 -0.272 0.000 1.613 439 M HN -0.240 nan 8.290 nan 0.000 0.450 440 V N 1.598 121.370 119.914 -0.236 0.000 2.483 440 V HA 0.724 4.844 4.120 0.001 0.000 0.297 440 V C 0.252 176.202 176.094 -0.240 0.000 1.027 440 V CA -0.822 61.305 62.300 -0.288 0.000 0.855 440 V CB 1.789 33.476 31.823 -0.227 0.000 0.995 440 V HN 0.995 nan 8.190 nan 0.000 0.424 441 G N 4.454 113.101 108.800 -0.255 0.000 2.338 441 G HA2 0.672 4.632 3.960 0.001 0.000 0.298 441 G HA3 0.672 4.632 3.960 0.001 0.000 0.298 441 G C -0.649 174.175 174.900 -0.126 0.000 1.140 441 G CA -0.392 44.668 45.100 -0.066 0.000 0.860 441 G HN 0.656 nan 8.290 nan 0.000 0.470 442 I N 1.812 122.279 120.570 -0.171 0.000 2.354 442 I HA 0.170 4.340 4.170 0.001 0.000 0.286 442 I C 0.137 176.036 176.117 -0.363 0.000 1.007 442 I CA -0.564 60.584 61.300 -0.254 0.000 1.167 442 I CB 1.202 39.069 38.000 -0.221 0.000 1.320 442 I HN 0.741 nan 8.210 nan 0.000 0.458 443 N N 1.947 120.206 118.700 -0.735 0.000 2.714 443 N HA -0.203 4.538 4.740 0.001 0.000 0.250 443 N C -0.182 174.893 175.510 -0.724 0.000 1.117 443 N CA 1.203 53.527 53.050 -1.211 0.000 0.719 443 N CB -0.565 37.630 38.487 -0.488 0.000 1.081 443 N HN 0.701 nan 8.380 nan 0.000 0.557 444 T N -2.871 111.454 114.554 -0.381 0.000 2.932 444 T HA 0.604 4.955 4.350 0.001 0.000 0.318 444 T C 0.683 175.560 174.700 0.294 0.000 1.265 444 T CA -0.051 62.114 62.100 0.109 0.000 1.036 444 T CB 1.611 70.517 68.868 0.063 0.000 1.209 444 T HN 0.143 nan 8.240 nan 0.000 0.484 445 G N 2.029 111.013 108.800 0.306 0.000 3.159 445 G HA2 0.404 4.364 3.960 0.001 0.000 0.232 445 G HA3 0.404 4.364 3.960 0.001 0.000 0.232 445 G C -0.094 174.834 174.900 0.047 0.000 1.116 445 G CA -0.095 45.071 45.100 0.110 0.000 0.767 445 G HN 0.581 nan 8.290 nan 0.000 0.547 446 L N 1.147 122.462 121.223 0.154 0.000 2.356 446 L HA 0.538 4.878 4.340 0.001 0.000 0.277 446 L C 0.546 177.507 176.870 0.152 0.000 0.996 446 L CA -0.784 54.140 54.840 0.140 0.000 0.822 446 L CB 2.054 44.158 42.059 0.076 0.000 1.256 446 L HN 0.206 nan 8.230 nan 0.000 0.413 447 I N -2.591 118.080 120.570 0.169 0.000 4.557 447 I HA 0.280 4.450 4.170 0.001 0.000 0.333 447 I C 0.163 176.349 176.117 0.116 0.000 1.332 447 I CA -0.009 61.368 61.300 0.129 0.000 1.240 447 I CB 1.163 39.242 38.000 0.130 0.000 1.312 447 I HN 0.341 nan 8.210 nan 0.000 0.457 448 S N 3.225 118.993 115.700 0.113 0.000 2.489 448 S HA 0.488 4.958 4.470 0.001 0.000 0.277 448 S C -0.372 174.269 174.600 0.068 0.000 1.230 448 S CA -0.367 57.913 58.200 0.133 0.000 1.053 448 S CB 0.569 63.809 63.200 0.067 0.000 0.955 448 S HN 0.761 nan 8.310 nan 0.000 0.488 449 N N 0.914 119.690 118.700 0.126 0.000 3.344 449 N HA 0.317 5.057 4.740 0.001 0.000 0.296 449 N C 0.199 175.609 175.510 -0.166 0.000 1.571 449 N CA -0.914 52.144 53.050 0.015 0.000 0.844 449 N CB 0.465 38.894 38.487 -0.098 0.000 1.718 449 N HN 0.335 nan 8.380 nan 0.000 0.589 450 E N -0.423 119.448 120.200 -0.549 0.000 2.340 450 E HA -0.003 4.348 4.350 0.001 0.000 0.194 450 E C 1.006 177.033 176.600 -0.956 0.000 0.996 450 E CA 0.604 56.461 56.400 -0.905 0.000 0.869 450 E CB -0.125 28.820 29.700 -1.257 0.000 0.835 450 E HN 0.361 nan 8.360 nan 0.000 0.493 451 V N 0.657 120.044 119.914 -0.878 0.000 3.235 451 V HA 0.352 4.473 4.120 0.001 0.000 0.259 451 V C 0.894 176.764 176.094 -0.373 0.000 1.133 451 V CA 0.694 62.431 62.300 -0.939 0.000 1.128 451 V CB -0.179 31.168 31.823 -0.794 0.000 0.757 451 V HN 0.310 nan 8.190 nan 0.000 0.469 452 A N 2.558 125.255 122.820 -0.204 0.000 2.301 452 A HA 0.736 5.057 4.320 0.001 0.000 0.312 452 A C -2.569 175.053 177.584 0.063 0.000 1.182 452 A CA -1.719 50.296 52.037 -0.035 0.000 0.826 452 A CB 0.352 19.350 19.000 -0.004 0.000 1.134 452 A HN 0.375 nan 8.150 nan 0.000 0.501 453 P HA 0.168 nan 4.420 nan 0.000 0.271 453 P C -1.089 176.295 177.300 0.139 0.000 1.226 453 P CA 0.400 63.584 63.100 0.140 0.000 0.765 453 P CB 0.266 32.009 31.700 0.071 0.000 0.835 454 F N 3.640 123.614 119.950 0.041 0.000 2.449 454 F HA 0.681 5.208 4.527 0.001 0.000 0.342 454 F C 0.249 176.052 175.800 0.005 0.000 1.127 454 F CA 0.437 58.453 58.000 0.026 0.000 0.975 454 F CB 1.633 40.669 39.000 0.060 0.000 1.146 454 F HN 0.614 nan 8.300 nan 0.000 0.444 455 G N 2.592 111.155 108.800 -0.396 0.000 2.315 455 G HA2 0.469 4.429 3.960 0.001 0.000 0.294 455 G HA3 0.469 4.429 3.960 0.001 0.000 0.294 455 G C -1.537 173.192 174.900 -0.284 0.000 1.300 455 G CA -0.196 44.761 45.100 -0.238 0.000 0.843 455 G HN 1.014 nan 8.290 nan 0.000 0.527 456 G N -1.827 106.878 108.800 -0.159 0.000 3.042 456 G HA2 0.967 4.927 3.960 0.001 0.000 0.278 456 G HA3 0.967 4.927 3.960 0.001 0.000 0.278 456 G C -0.341 174.505 174.900 -0.091 0.000 1.371 456 G CA 0.227 45.252 45.100 -0.125 0.000 1.009 456 G HN 1.921 nan 8.290 nan 0.000 0.523 457 V N -3.047 116.810 119.914 -0.096 0.000 3.181 457 V HA 0.870 4.991 4.120 0.001 0.000 0.314 457 V C 0.640 176.680 176.094 -0.090 0.000 1.173 457 V CA -0.305 61.936 62.300 -0.099 0.000 1.052 457 V CB 1.062 32.808 31.823 -0.128 0.000 1.123 457 V HN 1.123 nan 8.190 nan 0.000 0.454 458 K N -0.953 119.392 120.400 -0.091 0.000 1.844 458 K HA -0.232 4.088 4.320 0.001 0.000 0.160 458 K C 1.039 177.616 176.600 -0.038 0.000 1.448 458 K CA 1.750 57.984 56.287 -0.088 0.000 0.446 458 K CB -1.271 31.145 32.500 -0.140 0.000 0.635 458 K HN 0.803 nan 8.250 nan 0.000 0.848 459 Q N 0.633 120.416 119.800 -0.028 0.000 2.466 459 Q HA 0.087 4.427 4.340 0.001 0.000 0.210 459 Q C 0.967 177.095 176.000 0.214 0.000 0.961 459 Q CA 0.907 56.747 55.803 0.061 0.000 0.953 459 Q CB 0.385 29.100 28.738 -0.039 0.000 1.011 459 Q HN 0.364 nan 8.270 nan 0.000 0.516 460 S N -0.366 115.427 115.700 0.154 0.000 2.575 460 S HA 0.346 4.817 4.470 0.001 0.000 0.215 460 S C 0.849 175.493 174.600 0.074 0.000 0.966 460 S CA 0.387 58.669 58.200 0.136 0.000 0.911 460 S CB 0.484 63.731 63.200 0.079 0.000 0.780 460 S HN 0.606 nan 8.310 nan 0.000 0.514 461 G N 0.782 109.621 108.800 0.064 0.000 2.342 461 G HA2 0.004 3.965 3.960 0.001 0.000 0.220 461 G HA3 0.004 3.965 3.960 0.001 0.000 0.220 461 G C -1.734 173.179 174.900 0.021 0.000 1.243 461 G CA -1.020 44.114 45.100 0.055 0.000 1.083 461 G HN 0.251 nan 8.290 nan 0.000 0.500 462 L N 0.263 121.499 121.223 0.022 0.000 2.393 462 L HA 0.743 5.083 4.340 0.001 0.000 0.260 462 L C 0.892 177.763 176.870 0.003 0.000 1.002 462 L CA -0.180 54.661 54.840 0.002 0.000 0.818 462 L CB 1.760 43.821 42.059 0.003 0.000 1.369 462 L HN 2.609 nan 8.230 nan 0.000 0.412 463 G N 1.495 110.288 108.800 -0.010 0.000 2.860 463 G HA2 -0.118 3.842 3.960 0.001 0.000 0.553 463 G HA3 -0.118 3.842 3.960 0.001 0.000 0.553 463 G C -1.170 173.740 174.900 0.017 0.000 1.439 463 G CA -0.808 44.292 45.100 0.001 0.000 0.879 463 G HN 0.517 nan 8.290 nan 0.000 0.545 464 R N 0.367 120.900 120.500 0.056 0.000 2.628 464 R HA 0.531 4.872 4.340 0.001 0.000 0.288 464 R C -0.446 175.978 176.300 0.206 0.000 0.980 464 R CA -0.727 55.434 56.100 0.102 0.000 0.891 464 R CB 1.908 32.226 30.300 0.029 0.000 1.188 464 R HN 0.734 nan 8.270 nan 0.000 0.450 465 E N 0.308 120.662 120.200 0.257 0.000 2.183 465 E HA 0.593 4.944 4.350 0.001 0.000 0.271 465 E C -0.217 176.612 176.600 0.380 0.000 0.919 465 E CA -0.444 56.133 56.400 0.295 0.000 0.781 465 E CB 1.995 31.788 29.700 0.154 0.000 1.140 465 E HN 0.784 nan 8.360 nan 0.000 0.402 466 G N 2.170 111.321 108.800 0.584 0.000 2.758 466 G HA2 -0.011 3.949 3.960 0.001 0.000 0.686 466 G HA3 -0.011 3.949 3.960 0.001 0.000 0.686 466 G C -0.073 174.956 174.900 0.214 0.000 1.389 466 G CA -0.300 45.055 45.100 0.425 0.000 0.845 466 G HN 1.516 nan 8.290 nan 0.000 0.572 467 S N -1.580 114.074 115.700 -0.077 0.000 3.697 467 S HA -0.243 4.227 4.470 0.001 0.000 0.638 467 S C 1.242 176.013 174.600 0.285 0.000 2.176 467 S CA 1.383 59.614 58.200 0.051 0.000 2.349 467 S CB -1.131 62.090 63.200 0.035 0.000 0.329 467 S HN 2.764 nan 8.310 nan 0.000 1.794 468 H N 0.737 119.910 119.070 0.173 0.000 2.521 468 H HA -0.014 4.543 4.556 0.001 0.000 0.286 468 H C 1.600 176.935 175.328 0.011 0.000 1.034 468 H CA 1.687 57.758 56.048 0.039 0.000 1.278 468 H CB -0.508 29.182 29.762 -0.119 0.000 1.386 468 H HN 0.707 nan 8.280 nan 0.000 0.567 469 Y N 1.665 121.874 120.300 -0.152 0.000 2.439 469 Y HA 0.096 4.647 4.550 0.001 0.000 0.292 469 Y C 2.910 178.933 175.900 0.205 0.000 1.130 469 Y CA 0.675 58.777 58.100 0.003 0.000 1.254 469 Y CB -0.387 38.020 38.460 -0.088 0.000 1.000 469 Y HN 0.353 nan 8.280 nan 0.000 0.554 470 G N 0.062 109.142 108.800 0.467 0.000 2.450 470 G HA2 -0.263 3.698 3.960 0.001 0.000 0.220 470 G HA3 -0.263 3.698 3.960 0.001 0.000 0.220 470 G C 1.670 176.946 174.900 0.627 0.000 1.130 470 G CA 1.145 46.629 45.100 0.640 0.000 0.760 470 G HN 0.498 nan 8.290 nan 0.000 0.557 471 I N -0.259 120.661 120.570 0.583 0.000 2.867 471 I HA 0.047 4.218 4.170 0.001 0.000 0.265 471 I C 1.810 178.174 176.117 0.412 0.000 1.162 471 I CA 0.462 62.052 61.300 0.483 0.000 1.471 471 I CB 0.100 38.337 38.000 0.396 0.000 1.123 471 I HN -0.053 nan 8.210 nan 0.000 0.440 472 D N 1.273 121.865 120.400 0.320 0.000 2.149 472 D HA -0.251 4.390 4.640 0.001 0.000 0.194 472 D C 1.407 177.806 176.300 0.164 0.000 1.001 472 D CA 1.424 55.562 54.000 0.230 0.000 0.849 472 D CB -0.333 40.602 40.800 0.226 0.000 0.939 472 D HN 0.383 nan 8.370 nan 0.000 0.449 473 D N -1.033 119.440 120.400 0.122 0.000 2.392 473 D HA -0.096 4.544 4.640 0.001 0.000 0.228 473 D C 1.017 177.132 176.300 -0.307 0.000 1.003 473 D CA 0.444 54.378 54.000 -0.109 0.000 0.917 473 D CB 0.030 40.703 40.800 -0.212 0.000 0.890 473 D HN 0.426 nan 8.370 nan 0.000 0.532 474 Y N -0.683 119.656 120.300 0.065 0.000 2.430 474 Y HA 0.093 4.643 4.550 0.001 0.000 0.248 474 Y C 0.927 176.867 175.900 0.067 0.000 1.108 474 Y CA -0.370 57.757 58.100 0.045 0.000 1.264 474 Y CB 0.670 39.152 38.460 0.036 0.000 1.172 474 Y HN -0.227 nan 8.280 nan 0.000 0.520 475 V N -2.080 117.953 119.914 0.198 0.000 2.975 475 V HA 0.786 4.906 4.120 0.001 0.000 0.318 475 V C -0.589 175.575 176.094 0.116 0.000 1.077 475 V CA -1.172 61.225 62.300 0.163 0.000 1.000 475 V CB 1.969 33.889 31.823 0.160 0.000 1.066 475 V HN -0.256 nan 8.190 nan 0.000 0.452 476 V N 3.000 122.983 119.914 0.116 0.000 2.962 476 V HA 0.638 4.759 4.120 0.001 0.000 0.313 476 V C -0.495 175.657 176.094 0.096 0.000 1.099 476 V CA -0.740 61.617 62.300 0.095 0.000 0.971 476 V CB 1.977 33.855 31.823 0.092 0.000 1.028 476 V HN 1.129 nan 8.190 nan 0.000 0.430 477 I N 2.683 123.305 120.570 0.087 0.000 2.392 477 I HA 0.638 4.808 4.170 0.001 0.000 0.295 477 I C -0.717 175.458 176.117 0.097 0.000 0.985 477 I CA -0.528 60.826 61.300 0.089 0.000 1.221 477 I CB 1.357 39.407 38.000 0.083 0.000 1.366 477 I HN 0.685 nan 8.210 nan 0.000 0.467 478 K N 6.222 126.681 120.400 0.098 0.000 2.394 478 K HA 0.268 4.588 4.320 0.001 0.000 0.260 478 K C -1.616 175.069 176.600 0.142 0.000 0.967 478 K CA -0.713 55.633 56.287 0.099 0.000 0.855 478 K CB 1.181 33.718 32.500 0.061 0.000 1.101 478 K HN 0.678 nan 8.250 nan 0.000 0.433 479 Y N 5.993 126.306 120.300 0.023 0.000 2.350 479 Y HA 0.345 4.895 4.550 0.001 0.000 0.340 479 Y C -1.484 174.424 175.900 0.014 0.000 1.006 479 Y CA -0.774 57.336 58.100 0.018 0.000 1.166 479 Y CB 0.476 38.946 38.460 0.017 0.000 1.168 479 Y HN 0.443 nan 8.280 nan 0.000 0.502 480 L N 7.493 128.616 121.223 -0.166 0.000 2.305 480 L HA 0.413 4.753 4.340 0.001 0.000 0.284 480 L C -0.743 175.917 176.870 -0.350 0.000 1.013 480 L CA -0.732 53.933 54.840 -0.291 0.000 0.819 480 L CB 1.521 43.521 42.059 -0.098 0.000 1.227 480 L HN 0.739 nan 8.230 nan 0.000 0.417 481 C N 5.044 124.064 119.300 -0.466 0.000 2.239 481 C HA 0.639 5.099 4.460 0.001 0.000 0.323 481 C C 0.118 175.042 174.990 -0.110 0.000 1.205 481 C CA -0.470 58.398 59.018 -0.250 0.000 1.584 481 C CB 0.046 27.605 27.740 -0.303 0.000 2.201 481 C HN 0.572 nan 8.230 nan 0.000 0.475 482 V N 6.441 126.331 119.914 -0.040 0.000 2.370 482 V HA 0.544 4.665 4.120 0.001 0.000 0.279 482 V C 0.761 176.849 176.094 -0.009 0.000 1.029 482 V CA -0.350 61.934 62.300 -0.026 0.000 0.870 482 V CB 1.175 32.989 31.823 -0.014 0.000 0.984 482 V HN 1.000 nan 8.190 nan 0.000 0.451 483 A N 5.297 128.109 122.820 -0.013 0.000 2.527 483 A HA 0.533 4.853 4.320 0.001 0.000 0.313 483 A C 0.122 177.705 177.584 -0.003 0.000 1.410 483 A CA -0.062 51.972 52.037 -0.005 0.000 1.060 483 A CB 0.252 19.247 19.000 -0.008 0.000 1.137 483 A HN 0.730 nan 8.150 nan 0.000 0.542 484 V N 0.000 119.915 119.914 0.002 0.000 2.409 484 V HA 0.000 4.120 4.120 0.001 0.000 0.244 484 V CA 0.000 62.301 62.300 0.002 0.000 1.235 484 V CB 0.000 31.826 31.823 0.005 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556