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_H 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 -0.000 0.000 0.244 3 G C 0.000 174.871 174.900 -0.048 0.000 0.946 3 G CA 0.000 45.064 45.100 -0.060 0.000 0.502 4 S N 0.580 116.252 115.700 -0.047 0.000 2.552 4 S HA 0.611 5.081 4.470 -0.000 0.000 0.246 4 S C 0.358 174.939 174.600 -0.032 0.000 1.019 4 S CA -0.235 57.944 58.200 -0.035 0.000 1.045 4 S CB -0.136 63.047 63.200 -0.029 0.000 0.784 4 S HN 0.254 nan 8.310 nan 0.000 0.453 5 M N 1.673 121.250 119.600 -0.038 0.000 2.264 5 M HA 0.415 4.895 4.480 -0.000 0.000 0.352 5 M C 0.886 177.172 176.300 -0.022 0.000 1.173 5 M CA -0.318 54.963 55.300 -0.032 0.000 1.075 5 M CB 1.391 33.965 32.600 -0.043 0.000 1.621 5 M HN -0.006 nan 8.290 nan 0.000 0.457 6 K N 0.775 121.168 120.400 -0.012 0.000 2.589 6 K HA -0.103 4.216 4.320 -0.000 0.000 0.195 6 K C -0.145 176.454 176.600 -0.001 0.000 1.040 6 K CA 0.767 57.050 56.287 -0.006 0.000 0.950 6 K CB -0.165 32.335 32.500 -0.001 0.000 0.781 6 K HN 0.518 nan 8.250 nan 0.000 0.486 7 D N -0.615 119.783 120.400 -0.004 0.000 2.312 7 D HA 0.089 4.729 4.640 -0.000 0.000 0.229 7 D C -2.622 173.663 176.300 -0.026 0.000 1.337 7 D CA -1.564 52.436 54.000 0.001 0.000 0.964 7 D CB 1.582 42.403 40.800 0.034 0.000 1.456 7 D HN -0.233 nan 8.370 nan 0.000 0.547 8 P HA 0.022 nan 4.420 nan 0.000 0.245 8 P C 1.236 178.458 177.300 -0.131 0.000 1.212 8 P CA 0.359 63.411 63.100 -0.081 0.000 0.774 8 P CB 0.226 31.885 31.700 -0.068 0.000 0.999 9 S N -0.869 114.745 115.700 -0.143 0.000 2.489 9 S HA -0.015 4.455 4.470 -0.000 0.000 0.228 9 S C 1.754 176.061 174.600 -0.488 0.000 0.995 9 S CA 0.435 58.460 58.200 -0.292 0.000 0.934 9 S CB -1.373 61.689 63.200 -0.229 0.000 0.771 9 S HN 0.095 nan 8.310 nan 0.000 0.522 10 L N 0.221 121.297 121.223 -0.246 0.000 2.201 10 L HA 0.153 4.493 4.340 -0.000 0.000 0.212 10 L C 0.986 177.726 176.870 -0.217 0.000 1.105 10 L CA 0.331 55.069 54.840 -0.170 0.000 0.775 10 L CB -0.461 41.611 42.059 0.022 0.000 0.913 10 L HN 0.337 nan 8.230 nan 0.000 0.440 11 L N 1.762 122.842 121.223 -0.238 0.000 2.407 11 L HA 0.155 4.495 4.340 -0.000 0.000 0.282 11 L C 0.081 176.734 176.870 -0.362 0.000 1.110 11 L CA 0.377 55.046 54.840 -0.284 0.000 0.863 11 L CB -0.076 41.794 42.059 -0.315 0.000 1.207 11 L HN 0.009 nan 8.230 nan 0.000 0.454 12 R N 4.396 124.719 120.500 -0.295 0.000 2.604 12 R HA 0.380 4.720 4.340 -0.000 0.000 0.287 12 R C -0.012 176.101 176.300 -0.311 0.000 0.970 12 R CA -0.539 55.352 56.100 -0.347 0.000 0.946 12 R CB 1.082 31.182 30.300 -0.333 0.000 1.127 12 R HN 0.643 nan 8.270 nan 0.000 0.473 13 H N 0.200 119.250 119.070 -0.034 0.000 2.923 13 H HA 0.255 4.811 4.556 -0.000 0.000 0.268 13 H C -0.217 175.106 175.328 -0.009 0.000 1.148 13 H CA 0.018 56.072 56.048 0.010 0.000 1.146 13 H CB 1.676 31.430 29.762 -0.014 0.000 1.607 13 H HN 0.385 nan 8.280 nan 0.000 0.566 14 Q N 0.385 120.250 119.800 0.109 0.000 2.348 14 Q HA 0.666 5.006 4.340 -0.000 0.000 0.271 14 Q C -0.501 175.694 176.000 0.324 0.000 1.067 14 Q CA -0.895 55.023 55.803 0.193 0.000 0.839 14 Q CB 3.090 31.974 28.738 0.243 0.000 1.354 14 Q HN 0.202 nan 8.270 nan 0.000 0.447 15 A N 1.080 124.056 122.820 0.260 0.000 2.304 15 A HA 0.311 4.630 4.320 -0.000 0.000 0.271 15 A C -1.462 176.283 177.584 0.268 0.000 1.091 15 A CA -0.096 52.085 52.037 0.240 0.000 0.812 15 A CB 0.323 19.393 19.000 0.117 0.000 1.056 15 A HN 0.659 nan 8.150 nan 0.000 0.489 16 Y N 2.445 122.671 120.300 -0.123 0.000 2.491 16 Y HA 0.490 5.040 4.550 -0.000 0.000 0.334 16 Y C -0.892 174.818 175.900 -0.316 0.000 0.969 16 Y CA -1.548 56.245 58.100 -0.510 0.000 1.241 16 Y CB 0.607 38.525 38.460 -0.903 0.000 1.105 16 Y HN 0.378 nan 8.280 nan 0.000 0.503 17 I N 5.136 125.454 120.570 -0.420 0.000 2.382 17 I HA 0.321 4.491 4.170 -0.000 0.000 0.286 17 I C 0.955 176.806 176.117 -0.444 0.000 1.002 17 I CA -0.599 60.489 61.300 -0.352 0.000 1.135 17 I CB 0.973 38.875 38.000 -0.163 0.000 1.288 17 I HN 0.845 nan 8.210 nan 0.000 0.448 18 G N 4.776 113.295 108.800 -0.467 0.000 2.283 18 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.280 18 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.280 18 G C 1.019 175.649 174.900 -0.451 0.000 1.029 18 G CA 0.775 45.647 45.100 -0.381 0.000 0.840 18 G HN 1.639 nan 8.290 nan 0.000 0.505 19 G N -1.934 106.376 108.800 -0.817 0.000 2.175 19 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.244 19 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.244 19 G C -0.031 174.643 174.900 -0.377 0.000 0.982 19 G CA 1.007 45.709 45.100 -0.664 0.000 0.641 19 G HN 1.167 nan 8.290 nan 0.000 0.527 20 E N -1.119 118.835 120.200 -0.410 0.000 2.293 20 E HA 0.582 4.932 4.350 -0.000 0.000 0.270 20 E C -0.609 175.938 176.600 -0.089 0.000 0.879 20 E CA -0.902 55.430 56.400 -0.114 0.000 0.756 20 E CB 0.957 30.651 29.700 -0.010 0.000 1.208 20 E HN 0.295 nan 8.360 nan 0.000 0.428 21 W N 3.196 124.634 121.300 0.230 0.000 2.266 21 W HA 0.293 4.953 4.660 -0.000 0.000 0.317 21 W C 0.287 176.863 176.519 0.095 0.000 1.310 21 W CA 0.012 57.474 57.345 0.196 0.000 1.207 21 W CB 0.499 30.054 29.460 0.159 0.000 1.199 21 W HN 0.358 nan 8.180 nan 0.000 0.544 22 Q N 1.610 121.576 119.800 0.276 0.000 2.633 22 Q HA 0.817 5.157 4.340 -0.000 0.000 0.289 22 Q C -1.409 174.667 176.000 0.128 0.000 0.940 22 Q CA -1.304 54.594 55.803 0.158 0.000 0.785 22 Q CB 1.393 30.183 28.738 0.086 0.000 1.467 22 Q HN 0.450 nan 8.270 nan 0.000 0.401 23 A N 0.880 123.754 122.820 0.089 0.000 2.248 23 A HA 0.870 5.190 4.320 -0.000 0.000 0.316 23 A C -0.050 177.566 177.584 0.052 0.000 1.101 23 A CA -0.222 51.856 52.037 0.068 0.000 0.875 23 A CB 0.667 19.699 19.000 0.053 0.000 1.207 23 A HN 0.987 nan 8.150 nan 0.000 0.504 24 A N 0.125 122.974 122.820 0.049 0.000 2.531 24 A HA 0.259 4.579 4.320 -0.000 0.000 0.236 24 A C 0.605 178.210 177.584 0.034 0.000 1.062 24 A CA 0.285 52.348 52.037 0.043 0.000 0.760 24 A CB -0.164 18.867 19.000 0.051 0.000 0.995 24 A HN 0.750 nan 8.150 nan 0.000 0.501 25 D N 1.460 121.877 120.400 0.027 0.000 2.190 25 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 25 D C 2.042 178.355 176.300 0.022 0.000 0.992 25 D CA 2.123 56.136 54.000 0.021 0.000 0.854 25 D CB -0.189 40.620 40.800 0.015 0.000 0.936 25 D HN 0.689 nan 8.370 nan 0.000 0.462 26 S N -0.635 115.080 115.700 0.025 0.000 2.593 26 S HA -0.018 4.452 4.470 -0.000 0.000 0.217 26 S C 0.633 175.249 174.600 0.027 0.000 0.966 26 S CA 0.073 58.288 58.200 0.025 0.000 0.914 26 S CB 0.441 63.657 63.200 0.027 0.000 0.776 26 S HN -0.044 nan 8.310 nan 0.000 0.523 27 D N 0.503 120.920 120.400 0.029 0.000 3.059 27 D HA -0.170 4.470 4.640 -0.000 0.000 0.213 27 D C 0.475 176.794 176.300 0.032 0.000 1.144 27 D CA 1.141 55.157 54.000 0.028 0.000 0.975 27 D CB -1.515 39.297 40.800 0.021 0.000 1.125 27 D HN 0.764 nan 8.370 nan 0.000 0.412 28 A N -0.173 122.671 122.820 0.041 0.000 2.386 28 A HA 0.539 4.859 4.320 -0.000 0.000 0.246 28 A C 1.052 178.675 177.584 0.065 0.000 1.089 28 A CA 1.130 53.200 52.037 0.054 0.000 0.790 28 A CB 0.617 19.655 19.000 0.064 0.000 1.042 28 A HN 0.408 nan 8.150 nan 0.000 0.497 29 T N -2.299 112.304 114.554 0.083 0.000 2.762 29 T HA 0.715 5.065 4.350 -0.000 0.000 0.301 29 T C -0.629 174.179 174.700 0.179 0.000 1.299 29 T CA -0.155 61.986 62.100 0.069 0.000 1.005 29 T CB 1.039 69.901 68.868 -0.009 0.000 1.377 29 T HN 1.658 nan 8.240 nan 0.000 0.504 30 F N -1.345 118.615 119.950 0.017 0.000 2.664 30 F HA 0.882 5.409 4.527 -0.000 0.000 0.317 30 F C -0.851 174.951 175.800 0.004 0.000 1.108 30 F CA -1.212 56.802 58.000 0.025 0.000 0.957 30 F CB 1.582 40.603 39.000 0.035 0.000 1.365 30 F HN 0.827 nan 8.300 nan 0.000 0.475 31 E N 1.207 121.509 120.200 0.169 0.000 2.179 31 E HA 0.633 4.983 4.350 -0.000 0.000 0.275 31 E C -1.742 174.785 176.600 -0.122 0.000 0.945 31 E CA -1.021 55.311 56.400 -0.113 0.000 0.792 31 E CB 2.246 31.831 29.700 -0.192 0.000 1.125 31 E HN 0.623 nan 8.360 nan 0.000 0.397 32 V N 5.046 124.793 119.914 -0.279 0.000 2.459 32 V HA 0.417 4.537 4.120 -0.000 0.000 0.295 32 V C -0.832 175.108 176.094 -0.256 0.000 1.029 32 V CA -0.510 61.753 62.300 -0.062 0.000 0.874 32 V CB 0.876 32.788 31.823 0.149 0.000 0.985 32 V HN 0.541 nan 8.190 nan 0.000 0.438 33 F N 1.901 121.916 119.950 0.109 0.000 2.480 33 F HA 0.406 4.932 4.527 -0.000 0.000 0.329 33 F C 0.463 176.272 175.800 0.014 0.000 1.091 33 F CA -0.827 57.202 58.000 0.047 0.000 0.972 33 F CB 1.236 40.247 39.000 0.019 0.000 1.150 33 F HN 0.408 nan 8.300 nan 0.000 0.467 34 D N 4.732 125.218 120.400 0.142 0.000 2.401 34 D HA 0.048 4.688 4.640 -0.000 0.000 0.254 34 D C -1.583 174.713 176.300 -0.006 0.000 1.192 34 D CA -1.595 52.432 54.000 0.045 0.000 0.885 34 D CB 1.415 42.219 40.800 0.006 0.000 1.147 34 D HN 0.197 nan 8.370 nan 0.000 0.478 35 P HA -0.000 nan 4.420 nan 0.000 0.233 35 P C 0.682 177.844 177.300 -0.230 0.000 1.167 35 P CA 0.357 63.385 63.100 -0.120 0.000 0.770 35 P CB 0.344 31.968 31.700 -0.127 0.000 0.837 36 A N -0.435 122.265 122.820 -0.199 0.000 2.030 36 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 36 A C 2.003 179.517 177.584 -0.116 0.000 1.164 36 A CA 1.485 53.414 52.037 -0.180 0.000 0.697 36 A CB -0.985 18.041 19.000 0.044 0.000 0.827 36 A HN 0.158 nan 8.150 nan 0.000 0.457 37 T N -2.303 112.108 114.554 -0.238 0.000 3.038 37 T HA 0.397 4.747 4.350 -0.000 0.000 0.244 37 T C 1.453 175.742 174.700 -0.685 0.000 1.016 37 T CA 0.948 62.847 62.100 -0.334 0.000 1.098 37 T CB 0.426 69.243 68.868 -0.085 0.000 0.954 37 T HN 1.327 nan 8.240 nan 0.000 0.469 38 G N 2.647 111.209 108.800 -0.397 0.000 2.175 38 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 38 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 38 G C -0.030 174.940 174.900 0.116 0.000 0.982 38 G CA 0.308 45.309 45.100 -0.165 0.000 0.641 38 G HN 0.713 nan 8.290 nan 0.000 0.527 39 E N 0.219 120.483 120.200 0.106 0.000 2.314 39 E HA 0.624 4.974 4.350 -0.000 0.000 0.262 39 E C 0.304 177.009 176.600 0.175 0.000 1.093 39 E CA -0.102 56.396 56.400 0.162 0.000 0.908 39 E CB 1.244 30.982 29.700 0.064 0.000 1.091 39 E HN 0.402 nan 8.360 nan 0.000 0.425 40 S N -0.035 115.700 115.700 0.058 0.000 2.548 40 S HA 0.257 4.727 4.470 -0.000 0.000 0.277 40 S C 0.601 175.121 174.600 -0.134 0.000 1.315 40 S CA -0.102 57.990 58.200 -0.180 0.000 1.050 40 S CB 0.596 63.692 63.200 -0.174 0.000 0.918 40 S HN 0.648 nan 8.310 nan 0.000 0.497 41 L N 3.211 124.337 121.223 -0.163 0.000 2.616 41 L HA 0.684 5.024 4.340 -0.000 0.000 0.229 41 L C 1.396 178.254 176.870 -0.020 0.000 1.110 41 L CA 0.711 55.485 54.840 -0.111 0.000 0.884 41 L CB -1.713 40.274 42.059 -0.119 0.000 1.115 41 L HN 1.425 nan 8.230 nan 0.000 0.481 42 G N -1.078 107.696 108.800 -0.042 0.000 2.352 42 G HA2 0.343 4.303 3.960 -0.000 0.000 0.324 42 G HA3 0.343 4.303 3.960 -0.000 0.000 0.324 42 G C -0.091 174.821 174.900 0.021 0.000 1.249 42 G CA 0.371 45.479 45.100 0.013 0.000 1.053 42 G HN 1.587 nan 8.290 nan 0.000 0.492 43 T N -2.185 112.399 114.554 0.050 0.000 2.912 43 T HA 0.896 5.246 4.350 -0.000 0.000 0.288 43 T C 0.063 174.726 174.700 -0.062 0.000 1.030 43 T CA 0.017 62.071 62.100 -0.077 0.000 1.020 43 T CB 1.711 70.522 68.868 -0.095 0.000 1.056 43 T HN 2.169 nan 8.240 nan 0.000 0.480 44 V N -1.723 117.960 119.914 -0.386 0.000 2.962 44 V HA 0.752 4.872 4.120 -0.000 0.000 0.313 44 V C -3.159 172.734 176.094 -0.336 0.000 1.099 44 V CA -3.334 58.736 62.300 -0.383 0.000 0.971 44 V CB 1.393 32.866 31.823 -0.583 0.000 1.028 44 V HN 0.692 nan 8.190 nan 0.000 0.430 45 P HA 0.103 nan 4.420 nan 0.000 0.265 45 P C -0.784 176.580 177.300 0.108 0.000 1.187 45 P CA 0.101 63.203 63.100 0.004 0.000 0.766 45 P CB 0.359 32.085 31.700 0.044 0.000 0.820 46 K N 4.935 125.436 120.400 0.169 0.000 2.290 46 K HA 0.274 4.594 4.320 -0.000 0.000 0.250 46 K C -0.403 176.274 176.600 0.129 0.000 1.092 46 K CA -0.141 56.291 56.287 0.242 0.000 1.006 46 K CB -0.190 32.459 32.500 0.248 0.000 1.549 46 K HN 0.482 nan 8.250 nan 0.000 0.436 47 M N 1.279 120.947 119.600 0.113 0.000 2.359 47 M HA 0.359 4.839 4.480 -0.000 0.000 0.322 47 M C 0.806 177.135 176.300 0.049 0.000 1.166 47 M CA -0.544 54.796 55.300 0.067 0.000 1.067 47 M CB 1.682 34.316 32.600 0.057 0.000 1.523 47 M HN 0.613 nan 8.290 nan 0.000 0.467 48 G N -0.378 108.440 108.800 0.030 0.000 3.252 48 G HA2 0.602 4.562 3.960 -0.000 0.000 0.181 48 G HA3 0.602 4.562 3.960 -0.000 0.000 0.181 48 G C 0.515 175.419 174.900 0.007 0.000 1.187 48 G CA 0.104 45.214 45.100 0.017 0.000 0.886 48 G HN 0.747 nan 8.290 nan 0.000 0.615 49 A N -0.377 122.444 122.820 0.001 0.000 1.877 49 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 49 A C 2.723 180.303 177.584 -0.007 0.000 1.186 49 A CA 2.924 54.958 52.037 -0.005 0.000 0.620 49 A CB -1.126 17.869 19.000 -0.007 0.000 0.822 49 A HN 1.403 nan 8.150 nan 0.000 0.443 50 A N -0.206 122.612 122.820 -0.004 0.000 1.908 50 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 50 A C 1.872 179.450 177.584 -0.010 0.000 1.181 50 A CA 2.026 54.059 52.037 -0.006 0.000 0.627 50 A CB -0.517 18.482 19.000 -0.002 0.000 0.818 50 A HN 0.557 nan 8.150 nan 0.000 0.445 51 E N -0.629 119.567 120.200 -0.006 0.000 2.152 51 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 51 E C 2.056 178.642 176.600 -0.024 0.000 0.983 51 E CA 1.548 57.941 56.400 -0.012 0.000 0.818 51 E CB -0.447 29.253 29.700 0.001 0.000 0.758 51 E HN 0.600 nan 8.360 nan 0.000 0.467 52 T N 0.541 115.084 114.554 -0.018 0.000 2.737 52 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 52 T C 2.024 176.703 174.700 -0.035 0.000 1.038 52 T CA 1.233 63.318 62.100 -0.025 0.000 1.144 52 T CB -0.364 68.494 68.868 -0.016 0.000 0.866 52 T HN 0.274 nan 8.240 nan 0.000 0.434 53 A N 1.850 124.653 122.820 -0.028 0.000 1.933 53 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 53 A C 2.402 179.964 177.584 -0.036 0.000 1.175 53 A CA 1.275 53.294 52.037 -0.029 0.000 0.628 53 A CB -0.485 18.503 19.000 -0.021 0.000 0.814 53 A HN 0.364 nan 8.150 nan 0.000 0.444 54 R N -0.657 119.819 120.500 -0.039 0.000 2.073 54 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 54 R C 2.562 178.819 176.300 -0.072 0.000 1.134 54 R CA 1.283 57.354 56.100 -0.050 0.000 0.952 54 R CB -0.535 29.735 30.300 -0.049 0.000 0.850 54 R HN 0.520 nan 8.270 nan 0.000 0.433 55 A N 1.406 124.175 122.820 -0.084 0.000 1.883 55 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 55 A C 2.188 179.711 177.584 -0.101 0.000 1.186 55 A CA 1.397 53.365 52.037 -0.115 0.000 0.624 55 A CB -0.591 18.340 19.000 -0.116 0.000 0.822 55 A HN 0.205 nan 8.150 nan 0.000 0.444 56 I N -0.639 119.886 120.570 -0.075 0.000 2.208 56 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 56 I C 2.527 178.613 176.117 -0.053 0.000 1.097 56 I CA 1.799 63.059 61.300 -0.065 0.000 1.363 56 I CB -0.444 37.525 38.000 -0.051 0.000 1.051 56 I HN 0.429 nan 8.210 nan 0.000 0.413 57 E N 0.782 120.956 120.200 -0.043 0.000 2.072 57 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 57 E C 2.347 178.929 176.600 -0.030 0.000 0.985 57 E CA 1.293 57.677 56.400 -0.027 0.000 0.801 57 E CB -0.187 29.498 29.700 -0.024 0.000 0.750 57 E HN 0.510 nan 8.360 nan 0.000 0.452 58 A N 1.315 124.101 122.820 -0.057 0.000 1.902 58 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 58 A C 2.374 179.918 177.584 -0.067 0.000 1.181 58 A CA 1.644 53.638 52.037 -0.072 0.000 0.623 58 A CB -0.717 18.213 19.000 -0.118 0.000 0.818 58 A HN 0.302 nan 8.150 nan 0.000 0.443 59 A N -0.727 122.043 122.820 -0.083 0.000 1.883 59 A HA -0.275 4.044 4.320 -0.000 0.000 0.217 59 A C 2.229 179.811 177.584 -0.004 0.000 1.186 59 A CA 1.944 53.932 52.037 -0.081 0.000 0.624 59 A CB -0.706 18.226 19.000 -0.113 0.000 0.822 59 A HN 0.660 nan 8.150 nan 0.000 0.444 60 Q N -0.669 119.140 119.800 0.015 0.000 2.061 60 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 60 Q C 2.222 178.317 176.000 0.159 0.000 0.984 60 Q CA 1.778 57.641 55.803 0.101 0.000 0.846 60 Q CB -0.344 28.436 28.738 0.070 0.000 0.902 60 Q HN 0.620 nan 8.270 nan 0.000 0.421 61 A N 0.498 123.367 122.820 0.082 0.000 1.933 61 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 61 A C 2.151 179.790 177.584 0.092 0.000 1.175 61 A CA 1.567 53.647 52.037 0.071 0.000 0.628 61 A CB -0.696 18.320 19.000 0.026 0.000 0.814 61 A HN 0.526 nan 8.150 nan 0.000 0.444 62 A N -2.171 120.700 122.820 0.085 0.000 2.167 62 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 62 A C 1.696 179.423 177.584 0.237 0.000 1.151 62 A CA 1.009 53.104 52.037 0.097 0.000 0.735 62 A CB -0.620 18.378 19.000 -0.004 0.000 0.802 62 A HN 0.779 nan 8.150 nan 0.000 0.467 63 W N 1.137 122.470 121.300 0.055 0.000 2.352 63 W HA -0.181 4.479 4.660 -0.000 0.000 0.322 63 W C 2.417 179.013 176.519 0.129 0.000 1.208 63 W CA 1.741 59.153 57.345 0.112 0.000 1.286 63 W CB -0.977 28.528 29.460 0.074 0.000 1.167 63 W HN 0.350 nan 8.180 nan 0.000 0.469 64 A N 0.813 123.647 122.820 0.024 0.000 1.896 64 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 64 A C 2.321 179.881 177.584 -0.039 0.000 1.206 64 A CA 3.098 55.041 52.037 -0.157 0.000 0.647 64 A CB -1.704 17.225 19.000 -0.119 0.000 0.828 64 A HN 0.477 nan 8.150 nan 0.000 0.455 65 G N -2.019 106.817 108.800 0.061 0.000 2.418 65 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 65 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 65 G C 1.553 176.549 174.900 0.160 0.000 1.158 65 G CA 0.904 46.057 45.100 0.089 0.000 0.771 65 G HN 0.715 nan 8.290 nan 0.000 0.545 66 W N 2.484 123.808 121.300 0.039 0.000 2.355 66 W HA -0.145 4.515 4.660 -0.000 0.000 0.309 66 W C 2.780 179.338 176.519 0.066 0.000 1.206 66 W CA 1.475 58.860 57.345 0.066 0.000 1.284 66 W CB 0.045 29.575 29.460 0.116 0.000 1.145 66 W HN 0.326 nan 8.180 nan 0.000 0.502 67 R N 0.361 120.905 120.500 0.074 0.000 2.189 67 R HA -0.164 4.176 4.340 -0.000 0.000 0.218 67 R C 2.198 178.408 176.300 -0.150 0.000 1.074 67 R CA 1.515 57.565 56.100 -0.084 0.000 0.991 67 R CB -1.100 29.143 30.300 -0.095 0.000 0.883 67 R HN 0.235 nan 8.270 nan 0.000 0.457 68 M N 1.332 120.860 119.600 -0.120 0.000 2.229 68 M HA -0.021 4.459 4.480 -0.000 0.000 0.264 68 M C 0.024 176.252 176.300 -0.120 0.000 1.063 68 M CA 1.335 56.571 55.300 -0.107 0.000 1.114 68 M CB 0.149 32.706 32.600 -0.071 0.000 1.387 68 M HN 0.036 nan 8.290 nan 0.000 0.420 69 K N 1.653 121.955 120.400 -0.163 0.000 2.469 69 K HA 0.004 4.324 4.320 -0.000 0.000 0.274 69 K C 0.417 176.892 176.600 -0.208 0.000 0.983 69 K CA 0.265 56.434 56.287 -0.198 0.000 0.974 69 K CB 0.328 32.644 32.500 -0.306 0.000 0.913 69 K HN 0.324 nan 8.250 nan 0.000 0.493 70 T N -0.866 113.596 114.554 -0.155 0.000 2.813 70 T HA 0.194 4.544 4.350 -0.000 0.000 0.297 70 T C 1.397 176.001 174.700 -0.160 0.000 1.036 70 T CA -0.284 61.738 62.100 -0.131 0.000 1.044 70 T CB 1.379 70.193 68.868 -0.089 0.000 0.993 70 T HN 0.558 nan 8.240 nan 0.000 0.535 71 A N 1.260 124.004 122.820 -0.127 0.000 1.917 71 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 71 A C 2.396 179.923 177.584 -0.096 0.000 1.182 71 A CA 2.053 54.021 52.037 -0.116 0.000 0.633 71 A CB -0.996 17.958 19.000 -0.077 0.000 0.819 71 A HN 0.978 nan 8.150 nan 0.000 0.448 72 K N -0.509 119.845 120.400 -0.076 0.000 2.063 72 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 72 K C 2.006 178.576 176.600 -0.049 0.000 1.048 72 K CA 1.824 58.078 56.287 -0.054 0.000 0.928 72 K CB -0.168 32.304 32.500 -0.046 0.000 0.713 72 K HN 0.666 nan 8.250 nan 0.000 0.442 73 E N -0.217 119.939 120.200 -0.072 0.000 2.072 73 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 73 E C 2.116 178.675 176.600 -0.069 0.000 0.985 73 E CA 0.964 57.326 56.400 -0.063 0.000 0.801 73 E CB 0.081 29.732 29.700 -0.082 0.000 0.750 73 E HN 0.219 nan 8.360 nan 0.000 0.452 74 R N 0.155 120.556 120.500 -0.166 0.000 2.115 74 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 74 R C 2.245 178.567 176.300 0.037 0.000 1.111 74 R CA 0.931 56.922 56.100 -0.181 0.000 0.976 74 R CB -0.147 29.892 30.300 -0.434 0.000 0.870 74 R HN 0.097 nan 8.270 nan 0.000 0.445 75 A N 1.077 123.905 122.820 0.014 0.000 1.968 75 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 75 A C 2.326 179.960 177.584 0.082 0.000 1.169 75 A CA 1.363 53.431 52.037 0.052 0.000 0.638 75 A CB -0.374 18.627 19.000 0.002 0.000 0.812 75 A HN 0.356 nan 8.150 nan 0.000 0.446 76 A N 0.239 123.099 122.820 0.067 0.000 1.902 76 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 76 A C 2.103 179.767 177.584 0.134 0.000 1.181 76 A CA 1.553 53.641 52.037 0.084 0.000 0.623 76 A CB -0.588 18.447 19.000 0.059 0.000 0.818 76 A HN 0.495 nan 8.150 nan 0.000 0.443 77 I N -0.544 120.123 120.570 0.161 0.000 2.202 77 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 77 I C 2.386 178.668 176.117 0.275 0.000 1.091 77 I CA 1.089 62.516 61.300 0.212 0.000 1.368 77 I CB -0.352 37.813 38.000 0.275 0.000 1.058 77 I HN 0.279 nan 8.210 nan 0.000 0.410 78 L N 0.230 121.638 121.223 0.308 0.000 2.093 78 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 78 L C 2.764 179.860 176.870 0.377 0.000 1.085 78 L CA 1.200 56.284 54.840 0.406 0.000 0.755 78 L CB -0.487 41.790 42.059 0.364 0.000 0.904 78 L HN 0.200 nan 8.230 nan 0.000 0.435 79 R N 0.047 120.703 120.500 0.259 0.000 2.115 79 R HA -0.122 4.218 4.340 -0.000 0.000 0.230 79 R C 2.448 178.946 176.300 0.331 0.000 1.111 79 R CA 1.065 57.321 56.100 0.259 0.000 0.976 79 R CB 0.016 30.406 30.300 0.149 0.000 0.870 79 R HN 0.261 nan 8.270 nan 0.000 0.445 80 R N -0.859 119.802 120.500 0.268 0.000 2.075 80 R HA -0.182 4.158 4.340 -0.000 0.000 0.232 80 R C 1.908 178.380 176.300 0.288 0.000 1.126 80 R CA 1.497 57.734 56.100 0.229 0.000 0.963 80 R CB -0.481 29.922 30.300 0.171 0.000 0.858 80 R HN 0.337 nan 8.270 nan 0.000 0.435 81 W N 1.175 122.553 121.300 0.130 0.000 2.350 81 W HA -0.215 4.444 4.660 -0.000 0.000 0.289 81 W C 1.776 178.387 176.519 0.154 0.000 1.215 81 W CA 0.812 58.226 57.345 0.115 0.000 1.236 81 W CB -0.531 29.002 29.460 0.123 0.000 1.130 81 W HN 0.020 nan 8.180 nan 0.000 0.541 82 F N 1.502 121.495 119.950 0.072 0.000 2.098 82 F HA -0.143 4.384 4.527 -0.000 0.000 0.294 82 F C 2.152 177.940 175.800 -0.019 0.000 1.107 82 F CA 2.372 60.333 58.000 -0.064 0.000 1.234 82 F CB -0.792 38.205 39.000 -0.006 0.000 1.002 82 F HN -0.304 nan 8.300 nan 0.000 0.472 83 D N 0.863 121.227 120.400 -0.061 0.000 2.149 83 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 83 D C 2.411 178.627 176.300 -0.140 0.000 0.990 83 D CA 1.593 55.499 54.000 -0.158 0.000 0.839 83 D CB -0.454 40.370 40.800 0.039 0.000 0.948 83 D HN 0.363 nan 8.370 nan 0.000 0.460 84 L N 0.185 121.390 121.223 -0.031 0.000 2.217 84 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 84 L C 2.451 179.300 176.870 -0.035 0.000 1.107 84 L CA 0.260 55.102 54.840 0.004 0.000 0.783 84 L CB 0.047 42.163 42.059 0.095 0.000 0.919 84 L HN -0.084 nan 8.230 nan 0.000 0.442 85 V N -0.219 119.626 119.914 -0.115 0.000 2.379 85 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 85 V C 2.357 178.355 176.094 -0.161 0.000 1.044 85 V CA 1.159 63.375 62.300 -0.139 0.000 1.036 85 V CB -0.140 31.534 31.823 -0.248 0.000 0.664 85 V HN 0.257 nan 8.190 nan 0.000 0.453 86 I N 0.780 121.179 120.570 -0.284 0.000 2.226 86 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 86 I C 2.678 178.709 176.117 -0.143 0.000 1.100 86 I CA 1.956 63.100 61.300 -0.261 0.000 1.374 86 I CB -1.443 36.288 38.000 -0.448 0.000 1.057 86 I HN 0.321 nan 8.210 nan 0.000 0.413 87 A N 0.555 123.302 122.820 -0.121 0.000 2.019 87 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 87 A C 1.693 179.258 177.584 -0.031 0.000 1.164 87 A CA 1.306 53.306 52.037 -0.061 0.000 0.644 87 A CB -0.562 18.411 19.000 -0.044 0.000 0.805 87 A HN 0.535 nan 8.150 nan 0.000 0.449 88 N N -0.539 118.146 118.700 -0.025 0.000 2.275 88 N HA 0.036 4.776 4.740 -0.000 0.000 0.236 88 N C 1.174 176.685 175.510 0.003 0.000 1.154 88 N CA 0.605 53.657 53.050 0.003 0.000 0.866 88 N CB 0.579 39.086 38.487 0.033 0.000 1.093 88 N HN 0.449 nan 8.380 nan 0.000 0.515 89 S N 1.937 117.628 115.700 -0.015 0.000 2.359 89 S HA -0.210 4.260 4.470 -0.000 0.000 0.223 89 S C 1.378 175.982 174.600 0.007 0.000 1.039 89 S CA 1.583 59.779 58.200 -0.007 0.000 1.042 89 S CB -0.025 63.165 63.200 -0.016 0.000 0.915 89 S HN 0.172 nan 8.310 nan 0.000 0.439 90 D N 1.330 121.731 120.400 0.003 0.000 2.106 90 D HA -0.111 4.529 4.640 -0.000 0.000 0.191 90 D C 1.648 177.952 176.300 0.007 0.000 0.997 90 D CA 1.905 55.908 54.000 0.005 0.000 0.834 90 D CB -0.852 39.949 40.800 0.001 0.000 0.956 90 D HN 0.604 nan 8.370 nan 0.000 0.448 91 D N -0.187 120.217 120.400 0.008 0.000 2.117 91 D HA -0.063 4.577 4.640 -0.000 0.000 0.198 91 D C 2.207 178.514 176.300 0.012 0.000 0.982 91 D CA 0.431 54.433 54.000 0.005 0.000 0.828 91 D CB -0.259 40.546 40.800 0.008 0.000 0.967 91 D HN 0.177 nan 8.370 nan 0.000 0.464 92 L N 0.544 121.784 121.223 0.028 0.000 2.056 92 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 92 L C 2.449 179.346 176.870 0.044 0.000 1.078 92 L CA 1.061 55.929 54.840 0.046 0.000 0.749 92 L CB -0.464 41.630 42.059 0.058 0.000 0.901 92 L HN 0.055 nan 8.230 nan 0.000 0.433 93 A N -0.251 122.591 122.820 0.035 0.000 1.930 93 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 93 A C 2.177 179.776 177.584 0.024 0.000 1.175 93 A CA 1.311 53.369 52.037 0.035 0.000 0.627 93 A CB -0.526 18.492 19.000 0.031 0.000 0.815 93 A HN 0.292 nan 8.150 nan 0.000 0.443 94 L N 0.192 121.422 121.223 0.011 0.000 2.005 94 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 94 L C 2.237 179.099 176.870 -0.012 0.000 1.072 94 L CA 1.653 56.492 54.840 -0.002 0.000 0.744 94 L CB -0.927 41.125 42.059 -0.012 0.000 0.895 94 L HN 0.437 nan 8.230 nan 0.000 0.433 95 I N -0.837 119.722 120.570 -0.018 0.000 2.113 95 I HA -0.390 3.780 4.170 -0.000 0.000 0.242 95 I C 2.578 178.706 176.117 0.018 0.000 1.064 95 I CA 1.727 63.007 61.300 -0.032 0.000 1.320 95 I CB -0.447 37.543 38.000 -0.017 0.000 1.028 95 I HN 0.301 nan 8.210 nan 0.000 0.406 96 L N 0.038 121.290 121.223 0.049 0.000 1.990 96 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 96 L C 2.665 179.566 176.870 0.051 0.000 1.072 96 L CA 2.047 56.928 54.840 0.069 0.000 0.755 96 L CB -0.448 41.652 42.059 0.067 0.000 0.889 96 L HN 0.289 nan 8.230 nan 0.000 0.432 97 T N -1.051 113.521 114.554 0.031 0.000 2.622 97 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 97 T C 1.711 176.424 174.700 0.021 0.000 1.047 97 T CA 2.116 64.230 62.100 0.024 0.000 1.159 97 T CB -0.490 68.390 68.868 0.020 0.000 0.863 97 T HN 0.475 nan 8.240 nan 0.000 0.422 98 T N 2.344 116.901 114.554 0.006 0.000 2.653 98 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 98 T C 1.965 176.672 174.700 0.012 0.000 1.035 98 T CA 1.878 63.972 62.100 -0.010 0.000 1.154 98 T CB -0.393 68.442 68.868 -0.056 0.000 0.862 98 T HN 0.794 nan 8.240 nan 0.000 0.441 99 E N -0.065 120.164 120.200 0.048 0.000 2.318 99 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 99 E C 2.238 178.901 176.600 0.106 0.000 0.998 99 E CA 0.408 56.879 56.400 0.118 0.000 0.859 99 E CB 0.014 29.865 29.700 0.251 0.000 0.812 99 E HN 0.279 nan 8.360 nan 0.000 0.492 100 Q N -0.258 119.591 119.800 0.081 0.000 2.477 100 Q HA 0.131 4.471 4.340 -0.000 0.000 0.252 100 Q C 1.230 177.251 176.000 0.034 0.000 0.869 100 Q CA 1.358 57.212 55.803 0.085 0.000 0.969 100 Q CB 1.399 30.207 28.738 0.117 0.000 1.144 100 Q HN 0.434 nan 8.270 nan 0.000 0.577 101 G N 1.701 110.510 108.800 0.014 0.000 2.391 101 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.204 101 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.204 101 G C -0.032 174.873 174.900 0.009 0.000 1.012 101 G CA 0.065 45.156 45.100 -0.015 0.000 0.651 101 G HN 0.363 nan 8.290 nan 0.000 0.494 102 K N 1.648 122.053 120.400 0.008 0.000 2.469 102 K HA 0.397 4.717 4.320 -0.000 0.000 0.274 102 K C -2.526 174.087 176.600 0.021 0.000 0.983 102 K CA -0.870 55.420 56.287 0.005 0.000 0.974 102 K CB 0.142 32.618 32.500 -0.040 0.000 0.913 102 K HN 0.121 nan 8.250 nan 0.000 0.493 103 P HA -0.149 nan 4.420 nan 0.000 0.266 103 P C 0.908 178.223 177.300 0.024 0.000 1.186 103 P CA -0.010 63.110 63.100 0.033 0.000 0.767 103 P CB 0.409 32.127 31.700 0.030 0.000 0.820 104 L N 2.804 124.042 121.223 0.025 0.000 2.043 104 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 104 L C 2.053 178.937 176.870 0.022 0.000 1.075 104 L CA 2.490 57.343 54.840 0.022 0.000 0.752 104 L CB -0.939 41.130 42.059 0.018 0.000 0.891 104 L HN 0.435 nan 8.230 nan 0.000 0.432 105 A N -0.617 122.216 122.820 0.021 0.000 1.948 105 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 105 A C 2.078 179.678 177.584 0.026 0.000 1.177 105 A CA 1.909 53.959 52.037 0.022 0.000 0.636 105 A CB -0.470 18.542 19.000 0.019 0.000 0.815 105 A HN 0.551 nan 8.150 nan 0.000 0.449 106 E N -0.699 119.515 120.200 0.024 0.000 2.072 106 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 106 E C 2.311 178.931 176.600 0.032 0.000 0.982 106 E CA 0.784 57.198 56.400 0.023 0.000 0.803 106 E CB -0.216 29.487 29.700 0.005 0.000 0.755 106 E HN 0.615 nan 8.360 nan 0.000 0.453 107 A N 1.344 124.181 122.820 0.027 0.000 2.015 107 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 107 A C 1.910 179.530 177.584 0.059 0.000 1.163 107 A CA 1.166 53.227 52.037 0.040 0.000 0.646 107 A CB -0.162 18.857 19.000 0.031 0.000 0.806 107 A HN 0.026 nan 8.150 nan 0.000 0.448 108 K N -0.683 119.746 120.400 0.048 0.000 2.057 108 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 108 K C 2.152 178.793 176.600 0.068 0.000 1.050 108 K CA 0.910 57.226 56.287 0.049 0.000 0.935 108 K CB -0.404 32.116 32.500 0.034 0.000 0.715 108 K HN 0.449 nan 8.250 nan 0.000 0.439 109 G N 1.322 110.164 108.800 0.069 0.000 2.476 109 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 109 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 109 G C 1.343 176.331 174.900 0.147 0.000 1.164 109 G CA 1.043 46.193 45.100 0.083 0.000 0.768 109 G HN 0.399 nan 8.290 nan 0.000 0.560 110 E N -0.140 120.167 120.200 0.178 0.000 2.153 110 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 110 E C 2.477 179.239 176.600 0.271 0.000 0.988 110 E CA 0.577 57.162 56.400 0.307 0.000 0.811 110 E CB -0.055 29.826 29.700 0.302 0.000 0.746 110 E HN 0.347 nan 8.360 nan 0.000 0.466 111 I N 1.206 121.874 120.570 0.163 0.000 2.252 111 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 111 I C 2.558 178.737 176.117 0.103 0.000 1.102 111 I CA 1.274 62.638 61.300 0.108 0.000 1.385 111 I CB -1.644 36.392 38.000 0.060 0.000 1.064 111 I HN 0.130 nan 8.210 nan 0.000 0.414 112 A N -0.068 122.822 122.820 0.117 0.000 1.972 112 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 112 A C 2.352 180.051 177.584 0.191 0.000 1.169 112 A CA 1.348 53.456 52.037 0.118 0.000 0.635 112 A CB -0.988 18.071 19.000 0.098 0.000 0.810 112 A HN 0.466 nan 8.150 nan 0.000 0.446 113 Y N 0.610 120.962 120.300 0.086 0.000 2.163 113 Y HA -0.003 4.547 4.550 -0.000 0.000 0.288 113 Y C 2.638 178.671 175.900 0.221 0.000 1.136 113 Y CA 0.957 59.126 58.100 0.115 0.000 1.147 113 Y CB -0.772 37.761 38.460 0.121 0.000 0.987 113 Y HN 0.295 nan 8.280 nan 0.000 0.509 114 A N 0.722 123.633 122.820 0.152 0.000 1.883 114 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 114 A C 2.476 180.094 177.584 0.056 0.000 1.186 114 A CA 2.357 54.419 52.037 0.042 0.000 0.624 114 A CB -1.593 17.423 19.000 0.026 0.000 0.822 114 A HN 0.608 nan 8.150 nan 0.000 0.444 115 A N 0.226 123.086 122.820 0.066 0.000 1.902 115 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 115 A C 2.526 180.285 177.584 0.293 0.000 1.181 115 A CA 2.496 54.621 52.037 0.148 0.000 0.623 115 A CB -1.055 17.994 19.000 0.080 0.000 0.818 115 A HN 1.111 nan 8.150 nan 0.000 0.443 116 S N -1.162 114.646 115.700 0.180 0.000 2.399 116 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 116 S C 1.719 176.247 174.600 -0.121 0.000 1.022 116 S CA 1.412 59.625 58.200 0.022 0.000 0.983 116 S CB -0.761 62.403 63.200 -0.060 0.000 0.803 116 S HN 0.371 nan 8.310 nan 0.000 0.480 117 F N 1.600 121.486 119.950 -0.106 0.000 2.186 117 F HA 0.184 4.711 4.527 -0.000 0.000 0.299 117 F C 2.203 178.062 175.800 0.099 0.000 1.090 117 F CA 0.842 58.802 58.000 -0.066 0.000 1.307 117 F CB -0.394 38.543 39.000 -0.105 0.000 1.019 117 F HN 0.185 nan 8.300 nan 0.000 0.489 118 I N -0.211 120.486 120.570 0.212 0.000 2.142 118 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 118 I C 2.532 178.717 176.117 0.114 0.000 1.078 118 I CA 1.678 63.069 61.300 0.153 0.000 1.343 118 I CB -0.486 37.461 38.000 -0.089 0.000 1.046 118 I HN 0.163 nan 8.210 nan 0.000 0.405 119 E N 0.870 121.014 120.200 -0.094 0.000 2.038 119 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 119 E C 2.226 178.735 176.600 -0.151 0.000 1.000 119 E CA 1.708 57.888 56.400 -0.366 0.000 0.803 119 E CB -0.360 28.808 29.700 -0.886 0.000 0.750 119 E HN 0.583 nan 8.360 nan 0.000 0.448 120 W N 0.389 121.505 121.300 -0.306 0.000 2.318 120 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 120 W C 1.525 177.874 176.519 -0.284 0.000 1.221 120 W CA 1.301 58.425 57.345 -0.369 0.000 1.266 120 W CB -0.434 28.671 29.460 -0.591 0.000 1.150 120 W HN 0.161 nan 8.180 nan 0.000 0.496 121 F N 0.808 120.810 119.950 0.086 0.000 2.407 121 F HA 0.011 4.538 4.527 -0.000 0.000 0.299 121 F C 2.660 178.437 175.800 -0.038 0.000 1.097 121 F CA 1.463 59.475 58.000 0.020 0.000 1.422 121 F CB -1.379 37.716 39.000 0.157 0.000 1.067 121 F HN -0.099 nan 8.300 nan 0.000 0.539 122 A N 0.138 123.030 122.820 0.120 0.000 1.933 122 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 122 A C 2.106 179.656 177.584 -0.057 0.000 1.175 122 A CA 1.766 53.833 52.037 0.050 0.000 0.628 122 A CB -0.630 18.390 19.000 0.033 0.000 0.814 122 A HN 0.440 nan 8.150 nan 0.000 0.444 123 E N -0.595 119.502 120.200 -0.172 0.000 2.152 123 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 123 E C 1.800 178.227 176.600 -0.287 0.000 0.983 123 E CA 0.801 57.044 56.400 -0.261 0.000 0.818 123 E CB -0.056 29.410 29.700 -0.389 0.000 0.758 123 E HN 0.487 nan 8.360 nan 0.000 0.467 124 E N 0.470 120.492 120.200 -0.297 0.000 2.112 124 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 124 E C 2.246 178.827 176.600 -0.032 0.000 0.979 124 E CA 0.814 57.098 56.400 -0.193 0.000 0.814 124 E CB -0.386 29.275 29.700 -0.064 0.000 0.762 124 E HN 0.334 nan 8.360 nan 0.000 0.460 125 G N 1.933 110.744 108.800 0.018 0.000 2.469 125 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 125 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 125 G C 1.487 176.370 174.900 -0.027 0.000 1.136 125 G CA 0.747 45.856 45.100 0.014 0.000 0.759 125 G HN 0.243 nan 8.290 nan 0.000 0.562 126 K N -0.216 120.150 120.400 -0.057 0.000 2.504 126 K HA 0.078 4.398 4.320 -0.000 0.000 0.195 126 K C 1.694 178.255 176.600 -0.065 0.000 1.036 126 K CA 0.361 56.609 56.287 -0.066 0.000 0.984 126 K CB 0.146 32.598 32.500 -0.080 0.000 0.788 126 K HN 0.216 nan 8.250 nan 0.000 0.488 127 R N 0.273 120.735 120.500 -0.063 0.000 2.549 127 R HA 0.136 4.476 4.340 -0.000 0.000 0.344 127 R C -0.532 175.751 176.300 -0.029 0.000 0.979 127 R CA -0.170 55.892 56.100 -0.063 0.000 1.140 127 R CB 1.169 31.405 30.300 -0.107 0.000 1.377 127 R HN -0.138 nan 8.270 nan 0.000 0.541 128 V N 1.980 121.892 119.914 -0.003 0.000 2.446 128 V HA 0.314 4.434 4.120 -0.000 0.000 0.276 128 V C 0.325 176.429 176.094 0.017 0.000 1.030 128 V CA -0.120 62.196 62.300 0.026 0.000 1.033 128 V CB 0.738 32.589 31.823 0.048 0.000 0.993 128 V HN 0.222 nan 8.190 nan 0.000 0.477 129 A N 4.418 127.250 122.820 0.020 0.000 2.371 129 A HA 0.898 5.218 4.320 -0.000 0.000 0.311 129 A C 0.278 177.876 177.584 0.023 0.000 1.068 129 A CA 0.005 52.048 52.037 0.011 0.000 0.744 129 A CB 1.703 20.699 19.000 -0.006 0.000 1.239 129 A HN 0.902 nan 8.150 nan 0.000 0.435 130 G N 0.074 108.888 108.800 0.023 0.000 2.702 130 G HA2 0.640 4.600 3.960 -0.000 0.000 0.254 130 G HA3 0.640 4.600 3.960 -0.000 0.000 0.254 130 G C -1.003 173.912 174.900 0.024 0.000 1.380 130 G CA -0.445 44.674 45.100 0.031 0.000 1.042 130 G HN 0.658 nan 8.290 nan 0.000 0.557 131 D N -0.868 119.550 120.400 0.030 0.000 2.523 131 D HA 0.511 5.150 4.640 -0.000 0.000 0.236 131 D C -0.683 175.635 176.300 0.029 0.000 1.094 131 D CA -0.196 53.818 54.000 0.023 0.000 0.942 131 D CB 1.969 42.781 40.800 0.019 0.000 1.447 131 D HN 0.490 nan 8.370 nan 0.000 0.479 132 T N -0.980 113.587 114.554 0.022 0.000 2.847 132 T HA 0.671 5.021 4.350 -0.000 0.000 0.291 132 T C -0.330 174.381 174.700 0.019 0.000 0.998 132 T CA -0.709 61.406 62.100 0.026 0.000 0.967 132 T CB 0.374 69.254 68.868 0.020 0.000 0.954 132 T HN 0.182 nan 8.240 nan 0.000 0.441 133 L N 3.349 124.585 121.223 0.022 0.000 2.330 133 L HA 0.635 4.975 4.340 -0.000 0.000 0.271 133 L C -2.307 174.570 176.870 0.011 0.000 1.013 133 L CA -2.740 52.105 54.840 0.009 0.000 0.816 133 L CB 1.472 43.527 42.059 -0.006 0.000 1.287 133 L HN 0.410 nan 8.230 nan 0.000 0.435 134 P HA 0.058 nan 4.420 nan 0.000 0.271 134 P C -0.368 176.936 177.300 0.007 0.000 1.226 134 P CA -0.120 62.984 63.100 0.006 0.000 0.765 134 P CB 0.679 32.380 31.700 0.002 0.000 0.835 135 T N 3.888 118.451 114.554 0.015 0.000 2.913 135 T HA 0.235 4.584 4.350 -0.000 0.000 0.297 135 T C -1.092 173.617 174.700 0.014 0.000 1.029 135 T CA -1.343 60.770 62.100 0.021 0.000 1.104 135 T CB 0.014 68.901 68.868 0.031 0.000 0.964 135 T HN 0.330 nan 8.240 nan 0.000 0.532 136 P HA 0.278 nan 4.420 nan 0.000 0.255 136 P C -0.541 176.768 177.300 0.015 0.000 1.248 136 P CA 0.226 63.332 63.100 0.010 0.000 0.807 136 P CB 0.355 32.059 31.700 0.006 0.000 1.150 137 D N -0.235 120.178 120.400 0.020 0.000 2.764 137 D HA 0.334 4.974 4.640 -0.000 0.000 0.227 137 D C 0.612 176.924 176.300 0.020 0.000 1.347 137 D CA -0.529 53.483 54.000 0.020 0.000 0.953 137 D CB 1.903 42.719 40.800 0.026 0.000 1.476 137 D HN -0.155 nan 8.370 nan 0.000 0.585 138 A N 3.841 126.670 122.820 0.015 0.000 2.125 138 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 138 A C 1.450 179.042 177.584 0.013 0.000 1.156 138 A CA 0.889 52.934 52.037 0.013 0.000 0.671 138 A CB -0.192 18.814 19.000 0.009 0.000 0.794 138 A HN 0.576 nan 8.150 nan 0.000 0.459 139 N N 0.038 118.746 118.700 0.014 0.000 2.461 139 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 139 N C -0.092 175.426 175.510 0.014 0.000 1.134 139 N CA 0.648 53.705 53.050 0.012 0.000 0.878 139 N CB 0.198 38.691 38.487 0.010 0.000 0.972 139 N HN 0.579 nan 8.380 nan 0.000 0.456 140 K N 0.280 120.693 120.400 0.022 0.000 2.443 140 K HA 0.487 4.807 4.320 -0.000 0.000 0.251 140 K C -0.411 176.212 176.600 0.038 0.000 0.972 140 K CA -0.792 55.513 56.287 0.030 0.000 0.833 140 K CB 2.304 34.830 32.500 0.043 0.000 1.317 140 K HN -0.263 nan 8.250 nan 0.000 0.441 141 R N 1.257 121.784 120.500 0.045 0.000 2.686 141 R HA 0.522 4.862 4.340 -0.000 0.000 0.283 141 R C -0.673 175.682 176.300 0.091 0.000 0.978 141 R CA -0.689 55.442 56.100 0.052 0.000 0.897 141 R CB 1.409 31.728 30.300 0.032 0.000 1.192 141 R HN 0.631 nan 8.270 nan 0.000 0.457 142 I N 2.515 123.148 120.570 0.105 0.000 2.330 142 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 142 I C -0.387 175.812 176.117 0.136 0.000 1.001 142 I CA -0.925 60.482 61.300 0.178 0.000 1.193 142 I CB 1.802 39.885 38.000 0.137 0.000 1.345 142 I HN 0.034 nan 8.210 nan 0.000 0.461 143 V N 7.208 127.223 119.914 0.168 0.000 2.638 143 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 143 V C -0.279 175.907 176.094 0.152 0.000 1.052 143 V CA -0.680 61.687 62.300 0.111 0.000 0.885 143 V CB 2.453 34.310 31.823 0.057 0.000 0.999 143 V HN 0.378 nan 8.190 nan 0.000 0.424 144 V N 5.402 125.384 119.914 0.113 0.000 2.487 144 V HA 0.684 4.804 4.120 -0.000 0.000 0.298 144 V C -0.148 175.989 176.094 0.071 0.000 1.028 144 V CA -0.568 61.801 62.300 0.114 0.000 0.860 144 V CB 1.920 33.799 31.823 0.093 0.000 0.991 144 V HN 0.776 nan 8.190 nan 0.000 0.427 145 V N 2.358 122.312 119.914 0.067 0.000 3.019 145 V HA 0.762 4.882 4.120 -0.000 0.000 0.317 145 V C -0.643 175.485 176.094 0.056 0.000 1.094 145 V CA -1.019 61.310 62.300 0.048 0.000 1.000 145 V CB 2.175 34.018 31.823 0.032 0.000 1.060 145 V HN 0.791 nan 8.190 nan 0.000 0.443 146 K N 1.564 121.994 120.400 0.051 0.000 2.316 146 K HA 0.689 5.009 4.320 -0.000 0.000 0.251 146 K C -1.083 175.557 176.600 0.067 0.000 0.934 146 K CA -0.569 55.757 56.287 0.064 0.000 0.802 146 K CB 2.280 34.819 32.500 0.066 0.000 1.171 146 K HN 1.025 nan 8.250 nan 0.000 0.426 147 E N 1.742 121.996 120.200 0.090 0.000 2.413 147 E HA 0.397 4.747 4.350 -0.000 0.000 0.277 147 E C -2.993 173.711 176.600 0.173 0.000 0.958 147 E CA -2.489 53.978 56.400 0.112 0.000 0.779 147 E CB 1.900 31.656 29.700 0.093 0.000 1.278 147 E HN 0.149 nan 8.360 nan 0.000 0.456 148 P HA -0.015 nan 4.420 nan 0.000 0.266 148 P C 0.609 178.094 177.300 0.309 0.000 1.195 148 P CA 0.085 63.365 63.100 0.301 0.000 0.768 148 P CB 0.982 32.961 31.700 0.465 0.000 0.838 149 I N 1.174 121.838 120.570 0.155 0.000 2.315 149 I HA -0.043 4.127 4.170 -0.000 0.000 0.248 149 I C 1.053 177.133 176.117 -0.062 0.000 1.117 149 I CA 2.053 63.396 61.300 0.071 0.000 1.404 149 I CB -0.336 37.670 38.000 0.009 0.000 1.071 149 I HN 0.705 nan 8.210 nan 0.000 0.419 150 G N -0.684 107.879 108.800 -0.396 0.000 2.288 150 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.227 150 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.227 150 G C -1.012 173.329 174.900 -0.931 0.000 1.339 150 G CA -0.232 44.133 45.100 -1.225 0.000 1.057 150 G HN -0.013 nan 8.290 nan 0.000 0.470 151 V N 0.641 120.136 119.914 -0.698 0.000 2.521 151 V HA 0.416 4.536 4.120 -0.000 0.000 0.286 151 V C 0.653 176.615 176.094 -0.220 0.000 1.034 151 V CA -0.157 61.905 62.300 -0.397 0.000 1.045 151 V CB 0.292 31.958 31.823 -0.261 0.000 0.974 151 V HN 0.833 nan 8.190 nan 0.000 0.480 152 C N 4.114 123.327 119.300 -0.145 0.000 2.470 152 C HA 0.958 5.418 4.460 -0.000 0.000 0.341 152 C C 0.517 175.490 174.990 -0.027 0.000 1.190 152 C CA -0.570 58.424 59.018 -0.040 0.000 1.904 152 C CB 1.261 29.047 27.740 0.077 0.000 2.354 152 C HN 1.026 nan 8.230 nan 0.000 0.509 153 A N 0.846 123.672 122.820 0.010 0.000 2.475 153 A HA 0.933 5.253 4.320 -0.000 0.000 0.301 153 A C -1.003 176.616 177.584 0.059 0.000 1.059 153 A CA -0.274 51.773 52.037 0.016 0.000 0.710 153 A CB 1.203 20.202 19.000 -0.001 0.000 1.288 153 A HN 1.517 nan 8.150 nan 0.000 0.408 154 A N 1.489 124.347 122.820 0.065 0.000 2.393 154 A HA 0.773 5.093 4.320 -0.000 0.000 0.306 154 A C -1.068 176.582 177.584 0.110 0.000 1.050 154 A CA -0.325 51.770 52.037 0.096 0.000 0.724 154 A CB 0.820 19.870 19.000 0.084 0.000 1.248 154 A HN 0.762 nan 8.150 nan 0.000 0.424 155 I N 2.781 123.456 120.570 0.174 0.000 2.382 155 I HA 0.363 4.532 4.170 -0.000 0.000 0.285 155 I C 0.225 176.444 176.117 0.170 0.000 1.007 155 I CA -0.269 61.165 61.300 0.222 0.000 1.142 155 I CB 2.101 40.319 38.000 0.363 0.000 1.289 155 I HN 0.760 nan 8.210 nan 0.000 0.453 156 T N 4.184 118.799 114.554 0.102 0.000 2.925 156 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 156 T C -2.584 172.138 174.700 0.037 0.000 1.021 156 T CA -1.977 60.140 62.100 0.030 0.000 1.042 156 T CB 2.066 70.961 68.868 0.044 0.000 1.037 156 T HN 0.216 nan 8.240 nan 0.000 0.481 157 P HA 0.284 nan 4.420 nan 0.000 0.301 157 P C 0.802 178.114 177.300 0.020 0.000 1.309 157 P CA -0.870 62.191 63.100 -0.066 0.000 0.782 157 P CB 0.984 32.528 31.700 -0.259 0.000 1.282 158 W N 0.908 122.261 121.300 0.089 0.000 2.576 158 W HA -0.043 4.616 4.660 -0.000 0.000 0.275 158 W C 1.061 177.624 176.519 0.074 0.000 1.241 158 W CA 0.831 58.226 57.345 0.083 0.000 1.328 158 W CB -2.106 27.396 29.460 0.069 0.000 1.092 158 W HN 0.229 nan 8.180 nan 0.000 0.586 159 N N 1.739 120.194 118.700 -0.409 0.000 2.223 159 N HA -0.195 4.545 4.740 -0.000 0.000 0.185 159 N C -0.098 175.216 175.510 -0.326 0.000 1.016 159 N CA 0.962 53.809 53.050 -0.338 0.000 0.863 159 N CB -1.278 36.855 38.487 -0.590 0.000 0.983 159 N HN 0.112 nan 8.380 nan 0.000 0.429 160 F N -0.108 119.810 119.950 -0.053 0.000 2.550 160 F HA 0.413 4.940 4.527 -0.000 0.000 0.348 160 F C -1.849 173.973 175.800 0.037 0.000 1.219 160 F CA -2.095 55.915 58.000 0.017 0.000 1.203 160 F CB 2.219 41.225 39.000 0.011 0.000 1.436 160 F HN -0.108 nan 8.300 nan 0.000 0.541 161 P HA 0.001 nan 4.420 nan 0.000 0.237 161 P C 1.007 178.402 177.300 0.158 0.000 1.178 161 P CA 0.764 63.963 63.100 0.165 0.000 0.766 161 P CB 0.475 32.277 31.700 0.170 0.000 0.876 162 A N -0.055 122.867 122.820 0.171 0.000 1.969 162 A HA 0.433 4.753 4.320 -0.000 0.000 0.205 162 A C 2.225 179.872 177.584 0.105 0.000 1.364 162 A CA 0.856 52.980 52.037 0.145 0.000 0.756 162 A CB -1.157 17.929 19.000 0.144 0.000 0.988 162 A HN 0.095 nan 8.150 nan 0.000 0.490 163 A N -0.418 122.488 122.820 0.143 0.000 1.933 163 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 163 A C 2.140 179.603 177.584 -0.201 0.000 1.175 163 A CA 1.891 53.910 52.037 -0.031 0.000 0.628 163 A CB -0.522 18.523 19.000 0.075 0.000 0.814 163 A HN 0.402 nan 8.150 nan 0.000 0.444 164 M N -0.965 118.592 119.600 -0.072 0.000 2.175 164 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 164 M C 2.055 178.312 176.300 -0.072 0.000 1.063 164 M CA 1.158 56.390 55.300 -0.113 0.000 1.119 164 M CB -1.230 31.353 32.600 -0.029 0.000 1.377 164 M HN 0.334 nan 8.290 nan 0.000 0.415 165 I N 0.994 121.572 120.570 0.013 0.000 2.118 165 I HA -0.246 3.924 4.170 -0.000 0.000 0.241 165 I C 2.660 178.822 176.117 0.075 0.000 1.070 165 I CA 1.893 63.242 61.300 0.080 0.000 1.327 165 I CB -1.065 37.032 38.000 0.161 0.000 1.034 165 I HN 0.239 nan 8.210 nan 0.000 0.405 166 A N -0.258 122.568 122.820 0.011 0.000 1.972 166 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 166 A C 2.406 179.947 177.584 -0.071 0.000 1.169 166 A CA 1.437 53.470 52.037 -0.007 0.000 0.635 166 A CB -0.616 18.330 19.000 -0.090 0.000 0.810 166 A HN 0.358 nan 8.150 nan 0.000 0.446 167 R N -1.008 119.297 120.500 -0.326 0.000 2.285 167 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 167 R C 1.521 177.731 176.300 -0.151 0.000 1.068 167 R CA 1.357 57.185 56.100 -0.453 0.000 1.004 167 R CB -0.015 29.855 30.300 -0.717 0.000 0.873 167 R HN 0.510 nan 8.270 nan 0.000 0.467 168 K N -1.519 118.827 120.400 -0.090 0.000 2.424 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.200 168 K C 1.656 178.187 176.600 -0.115 0.000 1.279 168 K CA 0.072 56.330 56.287 -0.048 0.000 0.918 168 K CB 0.623 33.140 32.500 0.029 0.000 1.287 168 K HN -0.132 nan 8.250 nan 0.000 0.502 169 V N 1.266 121.174 119.914 -0.009 0.000 2.323 169 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 169 V C 2.244 178.352 176.094 0.023 0.000 1.041 169 V CA 2.280 64.593 62.300 0.021 0.000 1.025 169 V CB -0.944 30.977 31.823 0.164 0.000 0.656 169 V HN 0.483 nan 8.190 nan 0.000 0.451 170 G N 1.761 110.649 108.800 0.147 0.000 2.672 170 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 170 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 170 G C 0.146 174.971 174.900 -0.125 0.000 1.238 170 G CA 1.580 46.804 45.100 0.207 0.000 0.791 170 G HN 0.558 nan 8.290 nan 0.000 0.606 171 P HA -0.040 nan 4.420 nan 0.000 0.216 171 P C 2.108 178.923 177.300 -0.808 0.000 1.153 171 P CA 2.170 64.577 63.100 -1.155 0.000 0.848 171 P CB -0.277 30.469 31.700 -1.591 0.000 0.787 172 A N 0.036 122.227 122.820 -1.048 0.000 1.873 172 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 172 A C 2.295 179.788 177.584 -0.152 0.000 1.193 172 A CA 1.792 53.390 52.037 -0.733 0.000 0.629 172 A CB -1.687 17.007 19.000 -0.510 0.000 0.826 172 A HN 0.091 nan 8.150 nan 0.000 0.447 173 L N -0.484 120.725 121.223 -0.022 0.000 2.017 173 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 173 L C 3.001 180.092 176.870 0.368 0.000 1.073 173 L CA 1.972 56.996 54.840 0.306 0.000 0.745 173 L CB -0.972 41.246 42.059 0.265 0.000 0.894 173 L HN 0.402 nan 8.230 nan 0.000 0.432 174 A N -0.920 121.997 122.820 0.162 0.000 1.972 174 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 174 A C 2.384 180.004 177.584 0.060 0.000 1.169 174 A CA 1.613 53.719 52.037 0.115 0.000 0.635 174 A CB -0.796 18.279 19.000 0.125 0.000 0.810 174 A HN 0.394 nan 8.150 nan 0.000 0.446 175 A N -1.994 120.860 122.820 0.056 0.000 2.119 175 A HA 0.377 4.697 4.320 -0.000 0.000 0.217 175 A C 1.818 179.471 177.584 0.115 0.000 1.153 175 A CA 1.448 53.537 52.037 0.086 0.000 0.692 175 A CB -0.697 18.376 19.000 0.122 0.000 0.799 175 A HN 1.883 nan 8.150 nan 0.000 0.458 176 G N -2.635 106.255 108.800 0.150 0.000 2.138 176 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.193 176 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.193 176 G C -0.016 175.197 174.900 0.521 0.000 0.998 176 G CA -0.163 45.035 45.100 0.164 0.000 0.668 176 G HN 0.584 nan 8.290 nan 0.000 0.516 177 C N 2.197 121.748 119.300 0.418 0.000 2.366 177 C HA 0.784 5.244 4.460 -0.000 0.000 0.345 177 C C -1.418 173.650 174.990 0.129 0.000 1.209 177 C CA -1.360 57.768 59.018 0.184 0.000 2.050 177 C CB 1.674 29.440 27.740 0.042 0.000 2.359 177 C HN 0.432 nan 8.230 nan 0.000 0.527 178 P HA 0.585 nan 4.420 nan 0.000 0.282 178 P C -1.089 176.105 177.300 -0.177 0.000 1.259 178 P CA -0.262 62.717 63.100 -0.201 0.000 0.826 178 P CB 1.460 33.059 31.700 -0.169 0.000 1.064 179 I N 0.601 121.061 120.570 -0.184 0.000 2.656 179 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 179 I C -1.447 174.600 176.117 -0.117 0.000 1.144 179 I CA -1.197 60.030 61.300 -0.122 0.000 1.038 179 I CB 2.347 40.295 38.000 -0.087 0.000 1.244 179 I HN -0.050 nan 8.210 nan 0.000 0.420 180 V N 7.608 127.474 119.914 -0.081 0.000 2.357 180 V HA 0.412 4.532 4.120 -0.000 0.000 0.284 180 V C -0.382 175.697 176.094 -0.025 0.000 1.018 180 V CA -0.508 61.750 62.300 -0.069 0.000 0.841 180 V CB 1.590 33.370 31.823 -0.072 0.000 0.991 180 V HN 0.420 nan 8.190 nan 0.000 0.437 181 V N 5.305 125.212 119.914 -0.011 0.000 2.459 181 V HA 0.506 4.626 4.120 -0.000 0.000 0.295 181 V C 0.061 176.179 176.094 0.040 0.000 1.029 181 V CA -0.854 61.462 62.300 0.027 0.000 0.874 181 V CB 1.850 33.698 31.823 0.041 0.000 0.985 181 V HN 0.774 nan 8.190 nan 0.000 0.438 182 K N 6.624 127.059 120.400 0.058 0.000 2.464 182 K HA 0.480 4.800 4.320 -0.000 0.000 0.252 182 K C -2.836 173.820 176.600 0.094 0.000 1.000 182 K CA -1.717 54.612 56.287 0.070 0.000 0.951 182 K CB 2.181 34.718 32.500 0.062 0.000 1.183 182 K HN 0.374 nan 8.250 nan 0.000 0.445 183 P HA 0.133 nan 4.420 nan 0.000 0.277 183 P C -0.916 176.463 177.300 0.132 0.000 1.271 183 P CA -0.521 62.647 63.100 0.113 0.000 0.795 183 P CB 0.542 32.306 31.700 0.106 0.000 1.101 184 A N 0.822 123.737 122.820 0.158 0.000 2.498 184 A HA 0.043 4.363 4.320 -0.000 0.000 0.239 184 A C 1.215 178.905 177.584 0.177 0.000 1.068 184 A CA 0.134 52.288 52.037 0.195 0.000 0.766 184 A CB -0.333 18.843 19.000 0.292 0.000 1.003 184 A HN 0.505 nan 8.150 nan 0.000 0.497 185 E N 1.378 121.666 120.200 0.146 0.000 2.110 185 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 185 E C 2.167 178.905 176.600 0.229 0.000 0.988 185 E CA 1.908 58.403 56.400 0.158 0.000 0.804 185 E CB -0.177 29.457 29.700 -0.111 0.000 0.745 185 E HN 0.656 nan 8.360 nan 0.000 0.458 186 S N -0.369 115.423 115.700 0.153 0.000 2.399 186 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 186 S C 1.086 175.787 174.600 0.167 0.000 1.022 186 S CA 1.538 59.817 58.200 0.133 0.000 0.983 186 S CB -0.142 63.053 63.200 -0.007 0.000 0.803 186 S HN 0.467 nan 8.310 nan 0.000 0.480 187 T N -1.026 113.640 114.554 0.185 0.000 3.542 187 T HA 0.370 4.720 4.350 -0.000 0.000 0.276 187 T C -2.644 172.123 174.700 0.111 0.000 1.412 187 T CA -1.226 60.982 62.100 0.180 0.000 1.664 187 T CB 1.411 70.421 68.868 0.236 0.000 0.863 187 T HN 0.052 nan 8.240 nan 0.000 0.661 188 P HA 0.251 nan 4.420 nan 0.000 0.251 188 P C 0.838 178.048 177.300 -0.150 0.000 1.223 188 P CA -0.181 62.849 63.100 -0.116 0.000 0.796 188 P CB -0.119 31.441 31.700 -0.233 0.000 1.068 189 F N 0.681 120.654 119.950 0.038 0.000 2.163 189 F HA -0.069 4.458 4.527 -0.000 0.000 0.297 189 F C 2.544 178.367 175.800 0.039 0.000 1.094 189 F CA 1.320 59.317 58.000 -0.006 0.000 1.290 189 F CB -1.379 37.589 39.000 -0.054 0.000 1.017 189 F HN -0.131 nan 8.300 nan 0.000 0.483 190 S N 0.292 116.138 115.700 0.242 0.000 2.359 190 S HA -0.249 4.221 4.470 -0.000 0.000 0.224 190 S C 2.403 177.116 174.600 0.189 0.000 1.035 190 S CA 1.232 59.546 58.200 0.190 0.000 1.018 190 S CB -0.884 62.417 63.200 0.168 0.000 0.876 190 S HN 0.371 nan 8.310 nan 0.000 0.448 191 A N 1.494 124.417 122.820 0.172 0.000 1.883 191 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 191 A C 2.167 179.872 177.584 0.202 0.000 1.186 191 A CA 1.422 53.564 52.037 0.175 0.000 0.624 191 A CB -0.857 18.225 19.000 0.138 0.000 0.822 191 A HN 0.457 nan 8.150 nan 0.000 0.444 192 L N -0.956 120.383 121.223 0.194 0.000 2.046 192 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 192 L C 3.114 180.175 176.870 0.318 0.000 1.077 192 L CA 1.014 56.015 54.840 0.268 0.000 0.747 192 L CB -0.574 41.616 42.059 0.218 0.000 0.896 192 L HN 0.459 nan 8.230 nan 0.000 0.432 193 A N -0.262 122.704 122.820 0.244 0.000 1.877 193 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 193 A C 2.346 180.132 177.584 0.336 0.000 1.186 193 A CA 1.535 53.727 52.037 0.257 0.000 0.620 193 A CB -0.397 18.713 19.000 0.182 0.000 0.822 193 A HN 0.259 nan 8.150 nan 0.000 0.443 194 M N -0.417 119.373 119.600 0.318 0.000 2.080 194 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 194 M C 2.567 179.121 176.300 0.423 0.000 1.068 194 M CA 1.732 57.290 55.300 0.432 0.000 1.109 194 M CB -1.337 31.510 32.600 0.411 0.000 1.342 194 M HN 0.511 nan 8.290 nan 0.000 0.405 195 A N -0.035 122.940 122.820 0.258 0.000 1.908 195 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 195 A C 2.061 179.634 177.584 -0.018 0.000 1.181 195 A CA 1.526 53.586 52.037 0.038 0.000 0.627 195 A CB -1.094 17.912 19.000 0.010 0.000 0.818 195 A HN 0.443 nan 8.150 nan 0.000 0.445 196 F N 0.697 120.728 119.950 0.135 0.000 2.095 196 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 196 F C 1.959 177.814 175.800 0.092 0.000 1.104 196 F CA 1.715 59.843 58.000 0.213 0.000 1.232 196 F CB -0.451 38.628 39.000 0.132 0.000 0.987 196 F HN 0.142 nan 8.300 nan 0.000 0.475 197 L N -0.178 121.097 121.223 0.087 0.000 2.079 197 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 197 L C 2.765 179.633 176.870 -0.002 0.000 1.081 197 L CA 1.197 56.066 54.840 0.049 0.000 0.752 197 L CB -1.268 40.981 42.059 0.317 0.000 0.896 197 L HN 0.279 nan 8.230 nan 0.000 0.433 198 A N -0.153 122.544 122.820 -0.205 0.000 1.940 198 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 198 A C 2.265 179.648 177.584 -0.336 0.000 1.176 198 A CA 1.956 53.607 52.037 -0.644 0.000 0.631 198 A CB -0.515 17.860 19.000 -1.043 0.000 0.814 198 A HN 0.515 nan 8.150 nan 0.000 0.446 199 E N -0.417 119.624 120.200 -0.264 0.000 2.077 199 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 199 E C 2.265 178.774 176.600 -0.152 0.000 0.989 199 E CA 1.169 57.471 56.400 -0.164 0.000 0.800 199 E CB -0.163 29.468 29.700 -0.114 0.000 0.746 199 E HN 0.591 nan 8.360 nan 0.000 0.452 200 R N -0.218 120.138 120.500 -0.240 0.000 2.115 200 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 200 R C 2.169 178.431 176.300 -0.065 0.000 1.111 200 R CA 1.021 57.013 56.100 -0.180 0.000 0.976 200 R CB -0.168 29.977 30.300 -0.257 0.000 0.870 200 R HN 0.214 nan 8.270 nan 0.000 0.445 201 A N -0.403 122.395 122.820 -0.036 0.000 1.969 201 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 201 A C 1.466 179.070 177.584 0.034 0.000 1.169 201 A CA 1.489 53.551 52.037 0.042 0.000 0.635 201 A CB -0.277 18.785 19.000 0.103 0.000 0.810 201 A HN 0.540 nan 8.150 nan 0.000 0.445 202 G N -2.310 106.485 108.800 -0.008 0.000 2.145 202 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.145 202 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.145 202 G C -0.028 174.880 174.900 0.012 0.000 1.017 202 G CA -0.131 44.980 45.100 0.019 0.000 0.682 202 G HN 0.719 nan 8.290 nan 0.000 0.504 203 V N 2.300 122.167 119.914 -0.078 0.000 2.425 203 V HA 0.267 4.387 4.120 -0.000 0.000 0.276 203 V C -1.078 174.916 176.094 -0.167 0.000 1.017 203 V CA -0.649 61.536 62.300 -0.192 0.000 1.062 203 V CB 0.753 32.362 31.823 -0.358 0.000 0.997 203 V HN 0.233 nan 8.190 nan 0.000 0.476 204 P HA 0.210 nan 4.420 nan 0.000 0.266 204 P C 0.058 177.266 177.300 -0.152 0.000 1.195 204 P CA -0.053 62.998 63.100 -0.082 0.000 0.768 204 P CB 0.308 32.015 31.700 0.012 0.000 0.838 205 K N 1.830 122.167 120.400 -0.104 0.000 2.504 205 K HA 0.336 4.656 4.320 -0.000 0.000 0.278 205 K C 1.416 177.906 176.600 -0.183 0.000 1.025 205 K CA 0.474 56.669 56.287 -0.154 0.000 1.093 205 K CB -1.416 31.019 32.500 -0.108 0.000 0.873 205 K HN 0.929 nan 8.250 nan 0.000 0.483 206 G N 0.207 108.850 108.800 -0.262 0.000 2.345 206 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 206 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 206 G C 1.484 176.226 174.900 -0.265 0.000 1.058 206 G CA 0.617 45.579 45.100 -0.230 0.000 0.632 206 G HN 1.167 nan 8.290 nan 0.000 0.508 207 V N 0.724 120.432 119.914 -0.342 0.000 2.407 207 V HA 0.213 4.333 4.120 -0.000 0.000 0.248 207 V C 1.304 177.139 176.094 -0.432 0.000 1.055 207 V CA 2.112 64.109 62.300 -0.504 0.000 1.049 207 V CB -0.271 30.973 31.823 -0.966 0.000 0.662 207 V HN 0.639 nan 8.190 nan 0.000 0.455 208 L N -0.686 120.313 121.223 -0.374 0.000 2.362 208 L HA 0.715 5.055 4.340 -0.000 0.000 0.271 208 L C -0.600 176.105 176.870 -0.275 0.000 1.002 208 L CA 0.208 54.882 54.840 -0.277 0.000 0.818 208 L CB 2.187 44.093 42.059 -0.256 0.000 1.298 208 L HN 0.005 nan 8.230 nan 0.000 0.420 209 S N 2.735 118.311 115.700 -0.206 0.000 2.536 209 S HA 0.743 5.213 4.470 -0.000 0.000 0.271 209 S C -1.444 173.107 174.600 -0.081 0.000 1.134 209 S CA -0.590 57.472 58.200 -0.230 0.000 0.897 209 S CB 2.056 65.097 63.200 -0.265 0.000 1.094 209 S HN 0.417 nan 8.310 nan 0.000 0.473 210 V N 3.019 122.921 119.914 -0.020 0.000 2.378 210 V HA 0.497 4.617 4.120 -0.000 0.000 0.288 210 V C -0.551 175.562 176.094 0.032 0.000 1.016 210 V CA -0.643 61.681 62.300 0.039 0.000 0.840 210 V CB 1.426 33.311 31.823 0.103 0.000 0.994 210 V HN 0.693 nan 8.190 nan 0.000 0.431 211 V N 6.480 126.411 119.914 0.028 0.000 2.435 211 V HA 0.568 4.688 4.120 -0.000 0.000 0.290 211 V C -0.347 175.787 176.094 0.065 0.000 1.030 211 V CA -0.482 61.838 62.300 0.033 0.000 0.881 211 V CB 1.664 33.495 31.823 0.013 0.000 0.983 211 V HN 0.681 nan 8.190 nan 0.000 0.445 212 I N 3.866 124.486 120.570 0.083 0.000 2.465 212 I HA 0.925 5.095 4.170 -0.000 0.000 0.291 212 I C 0.622 176.849 176.117 0.182 0.000 1.014 212 I CA 0.473 61.852 61.300 0.131 0.000 1.093 212 I CB 1.714 39.771 38.000 0.095 0.000 1.267 212 I HN 0.907 nan 8.210 nan 0.000 0.431 213 G N 4.000 112.933 108.800 0.222 0.000 2.441 213 G HA2 0.023 3.983 3.960 -0.000 0.000 0.222 213 G HA3 0.023 3.983 3.960 -0.000 0.000 0.222 213 G C -1.519 173.393 174.900 0.020 0.000 1.254 213 G CA -0.880 44.330 45.100 0.184 0.000 0.959 213 G HN 0.474 nan 8.290 nan 0.000 0.474 214 D N 2.185 122.583 120.400 -0.004 0.000 2.368 214 D HA 0.265 4.905 4.640 -0.000 0.000 0.268 214 D C -0.330 175.952 176.300 -0.031 0.000 1.298 214 D CA -1.333 52.639 54.000 -0.048 0.000 0.938 214 D CB 1.406 42.190 40.800 -0.026 0.000 1.101 214 D HN 0.039 nan 8.370 nan 0.000 0.509 215 P HA -0.219 nan 4.420 nan 0.000 0.215 215 P C 1.242 178.530 177.300 -0.021 0.000 1.153 215 P CA 1.864 64.954 63.100 -0.017 0.000 0.853 215 P CB 0.097 31.788 31.700 -0.015 0.000 0.788 216 K N 0.315 120.697 120.400 -0.030 0.000 2.097 216 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 216 K C 2.324 178.909 176.600 -0.026 0.000 1.049 216 K CA 1.952 58.221 56.287 -0.030 0.000 0.933 216 K CB -1.622 30.860 32.500 -0.030 0.000 0.717 216 K HN 0.276 nan 8.250 nan 0.000 0.442 217 A N 0.306 123.114 122.820 -0.020 0.000 1.935 217 A HA 0.225 4.545 4.320 -0.000 0.000 0.214 217 A C 2.412 179.990 177.584 -0.011 0.000 1.178 217 A CA 1.063 53.091 52.037 -0.014 0.000 0.640 217 A CB -0.073 18.922 19.000 -0.009 0.000 0.825 217 A HN 0.433 nan 8.150 nan 0.000 0.447 218 I N -0.166 120.400 120.570 -0.006 0.000 2.163 218 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 218 I C 2.742 178.853 176.117 -0.010 0.000 1.081 218 I CA 1.184 62.483 61.300 -0.002 0.000 1.353 218 I CB -0.664 37.343 38.000 0.012 0.000 1.054 218 I HN 0.386 nan 8.210 nan 0.000 0.407 219 G N 0.255 109.046 108.800 -0.015 0.000 2.440 219 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 219 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 219 G C 1.645 176.521 174.900 -0.039 0.000 1.154 219 G CA 1.525 46.607 45.100 -0.030 0.000 0.767 219 G HN 0.291 nan 8.290 nan 0.000 0.552 220 T N 0.491 115.024 114.554 -0.035 0.000 2.788 220 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 220 T C 2.201 176.883 174.700 -0.029 0.000 1.044 220 T CA 1.603 63.683 62.100 -0.034 0.000 1.139 220 T CB -0.076 68.775 68.868 -0.030 0.000 0.867 220 T HN 0.412 nan 8.240 nan 0.000 0.454 221 E N 1.314 121.500 120.200 -0.024 0.000 2.047 221 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 221 E C 2.023 178.607 176.600 -0.025 0.000 0.987 221 E CA 0.966 57.352 56.400 -0.022 0.000 0.799 221 E CB -0.587 29.102 29.700 -0.018 0.000 0.752 221 E HN 0.493 nan 8.360 nan 0.000 0.449 222 I N 0.701 121.256 120.570 -0.026 0.000 2.151 222 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 222 I C 2.211 178.308 176.117 -0.033 0.000 1.080 222 I CA 2.003 63.286 61.300 -0.028 0.000 1.339 222 I CB -0.628 37.359 38.000 -0.022 0.000 1.039 222 I HN 0.322 nan 8.210 nan 0.000 0.409 223 T N -3.213 111.318 114.554 -0.038 0.000 3.081 223 T HA 0.026 4.376 4.350 -0.000 0.000 0.255 223 T C 1.612 176.291 174.700 -0.036 0.000 1.113 223 T CA 0.730 62.804 62.100 -0.043 0.000 1.082 223 T CB -0.106 68.728 68.868 -0.057 0.000 0.939 223 T HN 0.431 nan 8.240 nan 0.000 0.506 224 S N 0.280 115.961 115.700 -0.031 0.000 2.506 224 S HA 0.192 4.662 4.470 -0.000 0.000 0.219 224 S C 0.783 175.370 174.600 -0.023 0.000 1.031 224 S CA -0.539 57.646 58.200 -0.026 0.000 0.911 224 S CB -0.488 62.698 63.200 -0.023 0.000 0.812 224 S HN 0.353 nan 8.310 nan 0.000 0.497 225 N N 3.552 122.237 118.700 -0.024 0.000 2.452 225 N HA 0.256 4.996 4.740 -0.000 0.000 0.266 225 N C -2.162 173.334 175.510 -0.023 0.000 1.175 225 N CA -1.564 51.473 53.050 -0.022 0.000 0.945 225 N CB 1.415 39.887 38.487 -0.025 0.000 1.063 225 N HN 0.051 nan 8.380 nan 0.000 0.472 226 P HA 0.010 nan 4.420 nan 0.000 0.226 226 P C 1.262 178.552 177.300 -0.017 0.000 1.153 226 P CA 0.757 63.848 63.100 -0.014 0.000 0.777 226 P CB 0.366 32.063 31.700 -0.005 0.000 0.794 227 I N -1.329 119.230 120.570 -0.020 0.000 2.252 227 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 227 I C 0.638 176.719 176.117 -0.060 0.000 1.102 227 I CA 0.700 61.983 61.300 -0.027 0.000 1.385 227 I CB -0.623 37.364 38.000 -0.022 0.000 1.064 227 I HN -0.280 nan 8.210 nan 0.000 0.414 228 V N 2.742 122.619 119.914 -0.061 0.000 2.434 228 V HA -0.063 4.057 4.120 -0.000 0.000 0.281 228 V C 1.278 177.330 176.094 -0.070 0.000 1.005 228 V CA 0.726 62.981 62.300 -0.074 0.000 1.089 228 V CB 0.104 31.894 31.823 -0.055 0.000 0.978 228 V HN 0.323 nan 8.190 nan 0.000 0.474 229 R N 2.762 123.205 120.500 -0.095 0.000 2.308 229 R HA 0.197 4.537 4.340 -0.000 0.000 0.202 229 R C 0.559 176.815 176.300 -0.074 0.000 0.898 229 R CA 0.051 56.103 56.100 -0.078 0.000 1.046 229 R CB 0.496 30.741 30.300 -0.093 0.000 1.026 229 R HN 0.670 nan 8.270 nan 0.000 0.512 230 K N 0.740 121.092 120.400 -0.080 0.000 2.501 230 K HA 0.305 4.625 4.320 -0.000 0.000 0.252 230 K C -1.958 174.609 176.600 -0.055 0.000 0.934 230 K CA -0.777 55.460 56.287 -0.083 0.000 0.797 230 K CB 1.691 34.120 32.500 -0.118 0.000 1.270 230 K HN -0.131 nan 8.250 nan 0.000 0.431 231 L N 2.466 123.659 121.223 -0.050 0.000 2.362 231 L HA 0.603 4.943 4.340 -0.000 0.000 0.275 231 L C -1.326 175.552 176.870 0.013 0.000 0.998 231 L CA 0.051 54.887 54.840 -0.007 0.000 0.820 231 L CB 2.126 44.181 42.059 -0.006 0.000 1.270 231 L HN 0.701 nan 8.230 nan 0.000 0.415 232 S N 4.509 120.251 115.700 0.070 0.000 2.473 232 S HA 0.759 5.229 4.470 -0.000 0.000 0.307 232 S C -1.349 173.365 174.600 0.191 0.000 1.094 232 S CA -0.385 57.878 58.200 0.106 0.000 1.070 232 S CB 0.509 63.788 63.200 0.132 0.000 1.019 232 S HN 0.491 nan 8.310 nan 0.000 0.480 233 F N 3.260 123.218 119.950 0.014 0.000 2.561 233 F HA 0.617 5.144 4.527 -0.000 0.000 0.313 233 F C -0.802 175.011 175.800 0.022 0.000 1.126 233 F CA -0.238 57.772 58.000 0.016 0.000 0.918 233 F CB 1.966 40.971 39.000 0.008 0.000 1.199 233 F HN 0.426 nan 8.300 nan 0.000 0.444 234 T N 4.590 118.646 114.554 -0.830 0.000 2.812 234 T HA 0.827 5.177 4.350 -0.000 0.000 0.282 234 T C -0.139 173.794 174.700 -1.278 0.000 0.990 234 T CA -0.206 61.395 62.100 -0.832 0.000 0.960 234 T CB 1.191 69.854 68.868 -0.341 0.000 0.948 234 T HN 1.131 nan 8.240 nan 0.000 0.438 235 G N 1.699 109.858 108.800 -1.068 0.000 2.356 235 G HA2 0.455 4.415 3.960 -0.000 0.000 0.281 235 G HA3 0.455 4.415 3.960 -0.000 0.000 0.281 235 G C -0.550 174.282 174.900 -0.112 0.000 1.246 235 G CA -0.315 44.483 45.100 -0.504 0.000 0.889 235 G HN 0.917 nan 8.290 nan 0.000 0.486 236 S N -0.545 115.204 115.700 0.080 0.000 2.579 236 S HA 0.379 4.849 4.470 -0.000 0.000 0.275 236 S C 1.414 176.125 174.600 0.185 0.000 1.345 236 S CA 1.159 59.396 58.200 0.061 0.000 1.031 236 S CB 1.203 64.419 63.200 0.027 0.000 0.892 236 S HN 0.842 nan 8.310 nan 0.000 0.529 237 T N 2.712 117.344 114.554 0.131 0.000 2.720 237 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 237 T C 2.172 176.965 174.700 0.156 0.000 1.037 237 T CA 1.774 63.989 62.100 0.192 0.000 1.144 237 T CB -0.945 68.106 68.868 0.305 0.000 0.864 237 T HN 0.855 nan 8.240 nan 0.000 0.444 238 A N 0.913 123.806 122.820 0.121 0.000 1.883 238 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 238 A C 2.584 180.186 177.584 0.031 0.000 1.186 238 A CA 1.746 53.826 52.037 0.073 0.000 0.624 238 A CB -1.050 17.985 19.000 0.058 0.000 0.822 238 A HN 0.378 nan 8.150 nan 0.000 0.444 239 V N 0.038 119.973 119.914 0.036 0.000 2.358 239 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 239 V C 2.832 178.772 176.094 -0.256 0.000 1.047 239 V CA 1.716 63.957 62.300 -0.099 0.000 1.035 239 V CB -1.714 30.069 31.823 -0.067 0.000 0.658 239 V HN 0.632 nan 8.190 nan 0.000 0.452 240 G N 0.656 109.431 108.800 -0.042 0.000 2.599 240 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.219 240 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.219 240 G C 1.712 176.585 174.900 -0.045 0.000 1.193 240 G CA 1.344 46.454 45.100 0.017 0.000 0.778 240 G HN 0.487 nan 8.290 nan 0.000 0.589 241 R N -0.239 120.257 120.500 -0.008 0.000 2.115 241 R HA 0.169 4.509 4.340 -0.000 0.000 0.230 241 R C 2.606 178.873 176.300 -0.054 0.000 1.111 241 R CA 0.787 56.876 56.100 -0.018 0.000 0.976 241 R CB -0.501 29.801 30.300 0.002 0.000 0.870 241 R HN 0.393 nan 8.270 nan 0.000 0.445 242 L N 0.875 122.050 121.223 -0.081 0.000 1.989 242 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 242 L C 2.043 178.839 176.870 -0.123 0.000 1.071 242 L CA 1.559 56.341 54.840 -0.097 0.000 0.749 242 L CB -0.157 41.834 42.059 -0.112 0.000 0.890 242 L HN 0.222 nan 8.230 nan 0.000 0.431 243 L N -0.905 120.201 121.223 -0.195 0.000 2.093 243 L HA -0.267 4.073 4.340 -0.000 0.000 0.208 243 L C 2.630 179.429 176.870 -0.118 0.000 1.085 243 L CA 1.428 56.148 54.840 -0.199 0.000 0.755 243 L CB -0.388 41.465 42.059 -0.343 0.000 0.904 243 L HN 0.434 nan 8.230 nan 0.000 0.435 244 M N -0.251 119.294 119.600 -0.092 0.000 2.159 244 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 244 M C 2.285 178.557 176.300 -0.047 0.000 1.063 244 M CA 1.930 57.198 55.300 -0.053 0.000 1.110 244 M CB -0.043 32.538 32.600 -0.033 0.000 1.374 244 M HN 0.245 nan 8.290 nan 0.000 0.411 245 A N -0.254 122.536 122.820 -0.049 0.000 1.897 245 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 245 A C 1.942 179.501 177.584 -0.042 0.000 1.181 245 A CA 1.461 53.474 52.037 -0.040 0.000 0.620 245 A CB -0.705 18.272 19.000 -0.037 0.000 0.821 245 A HN 0.666 nan 8.150 nan 0.000 0.443 246 Q N -0.154 119.614 119.800 -0.053 0.000 2.170 246 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 246 Q C 1.789 177.761 176.000 -0.045 0.000 0.976 246 Q CA 1.609 57.381 55.803 -0.051 0.000 0.858 246 Q CB -0.102 28.597 28.738 -0.065 0.000 0.907 246 Q HN 0.607 nan 8.270 nan 0.000 0.433 247 S N -0.169 115.502 115.700 -0.048 0.000 2.575 247 S HA 0.146 4.616 4.470 -0.000 0.000 0.215 247 S C 1.598 176.179 174.600 -0.032 0.000 0.966 247 S CA 0.339 58.514 58.200 -0.041 0.000 0.911 247 S CB 0.372 63.545 63.200 -0.045 0.000 0.780 247 S HN 0.389 nan 8.310 nan 0.000 0.514 248 A N 2.707 125.509 122.820 -0.030 0.000 1.929 248 A HA 0.085 4.404 4.320 -0.000 0.000 0.216 248 A C -0.400 177.172 177.584 -0.020 0.000 1.176 248 A CA 0.902 52.925 52.037 -0.024 0.000 0.628 248 A CB -1.527 17.459 19.000 -0.023 0.000 0.816 248 A HN 0.356 nan 8.150 nan 0.000 0.444 249 P HA -0.024 nan 4.420 nan 0.000 0.237 249 P C 0.833 178.125 177.300 -0.014 0.000 1.178 249 P CA 1.701 64.792 63.100 -0.016 0.000 0.766 249 P CB 0.034 31.724 31.700 -0.016 0.000 0.876 250 T N -6.130 108.414 114.554 -0.016 0.000 3.145 250 T HA 0.166 4.516 4.350 -0.000 0.000 0.281 250 T C 0.500 175.191 174.700 -0.015 0.000 1.003 250 T CA -0.356 61.735 62.100 -0.014 0.000 0.901 250 T CB -0.736 68.122 68.868 -0.017 0.000 1.112 250 T HN -0.212 nan 8.240 nan 0.000 0.535 251 V N 1.782 121.686 119.914 -0.016 0.000 5.578 251 V HA -0.246 3.874 4.120 -0.000 0.000 0.275 251 V C 0.551 176.633 176.094 -0.020 0.000 0.642 251 V CA 0.959 63.249 62.300 -0.016 0.000 0.613 251 V CB -2.002 29.815 31.823 -0.010 0.000 0.301 251 V HN 0.688 nan 8.190 nan 0.000 0.782 252 K N 0.460 120.844 120.400 -0.027 0.000 2.276 252 K HA 0.276 4.596 4.320 -0.000 0.000 0.259 252 K C 0.374 176.952 176.600 -0.038 0.000 1.001 252 K CA -0.489 55.777 56.287 -0.034 0.000 0.927 252 K CB 0.617 33.093 32.500 -0.039 0.000 0.969 252 K HN 0.366 nan 8.250 nan 0.000 0.490 253 K N 2.440 122.810 120.400 -0.050 0.000 2.312 253 K HA 0.121 4.441 4.320 -0.000 0.000 0.287 253 K C -1.003 175.553 176.600 -0.075 0.000 1.062 253 K CA -0.292 55.958 56.287 -0.062 0.000 0.934 253 K CB 0.367 32.820 32.500 -0.079 0.000 1.027 253 K HN 0.222 nan 8.250 nan 0.000 0.478 254 L N 3.882 125.070 121.223 -0.059 0.000 2.317 254 L HA 0.432 4.772 4.340 -0.000 0.000 0.281 254 L C -0.273 176.567 176.870 -0.050 0.000 1.024 254 L CA -0.261 54.554 54.840 -0.043 0.000 0.810 254 L CB 1.604 43.655 42.059 -0.013 0.000 1.240 254 L HN 0.726 nan 8.230 nan 0.000 0.427 255 T N 4.963 119.492 114.554 -0.041 0.000 2.772 255 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 255 T C -0.107 174.627 174.700 0.057 0.000 0.994 255 T CA -0.271 61.820 62.100 -0.015 0.000 0.951 255 T CB 0.531 69.368 68.868 -0.051 0.000 0.933 255 T HN 0.249 nan 8.240 nan 0.000 0.447 256 L N 3.723 124.986 121.223 0.067 0.000 2.319 256 L HA 0.465 4.805 4.340 -0.000 0.000 0.281 256 L C 0.142 177.055 176.870 0.072 0.000 1.005 256 L CA -0.723 54.190 54.840 0.121 0.000 0.828 256 L CB 1.383 43.523 42.059 0.134 0.000 1.227 256 L HN 0.451 nan 8.230 nan 0.000 0.415 257 E N 5.883 126.101 120.200 0.030 0.000 2.063 257 E HA 0.458 4.808 4.350 -0.000 0.000 0.265 257 E C -0.553 176.018 176.600 -0.048 0.000 0.919 257 E CA -0.215 56.183 56.400 -0.003 0.000 0.756 257 E CB 2.006 31.707 29.700 0.002 0.000 1.120 257 E HN 0.507 nan 8.360 nan 0.000 0.414 258 L N 0.069 121.301 121.223 0.016 0.000 2.558 258 L HA 0.599 4.939 4.340 -0.000 0.000 0.260 258 L C 1.127 178.004 176.870 0.012 0.000 1.130 258 L CA -1.333 53.531 54.840 0.040 0.000 1.049 258 L CB 0.279 42.416 42.059 0.130 0.000 1.758 258 L HN 0.383 nan 8.230 nan 0.000 0.555 259 G N -1.081 107.712 108.800 -0.011 0.000 2.527 259 G HA2 0.459 4.419 3.960 -0.000 0.000 0.248 259 G HA3 0.459 4.419 3.960 -0.000 0.000 0.248 259 G C -0.241 174.546 174.900 -0.189 0.000 1.231 259 G CA 0.233 45.245 45.100 -0.146 0.000 0.838 259 G HN 0.722 nan 8.290 nan 0.000 0.570 260 G N -0.700 107.992 108.800 -0.181 0.000 3.016 260 G HA2 0.460 4.420 3.960 -0.000 0.000 0.270 260 G HA3 0.460 4.420 3.960 -0.000 0.000 0.270 260 G C -0.478 174.351 174.900 -0.119 0.000 1.352 260 G CA -0.604 44.462 45.100 -0.057 0.000 1.060 260 G HN 0.657 nan 8.290 nan 0.000 0.538 261 N N -0.809 117.977 118.700 0.144 0.000 2.639 261 N HA 0.336 5.076 4.740 -0.000 0.000 0.265 261 N C -0.093 175.543 175.510 0.209 0.000 1.689 261 N CA -0.273 52.885 53.050 0.180 0.000 0.813 261 N CB 0.612 39.307 38.487 0.346 0.000 1.353 261 N HN 0.695 nan 8.380 nan 0.000 0.510 262 A N 1.954 124.851 122.820 0.129 0.000 2.524 262 A HA 0.408 4.727 4.320 -0.000 0.000 0.250 262 A C -2.288 175.309 177.584 0.021 0.000 1.078 262 A CA -0.493 51.585 52.037 0.068 0.000 0.761 262 A CB -0.127 18.937 19.000 0.108 0.000 1.012 262 A HN 0.337 nan 8.150 nan 0.000 0.500 263 P HA 0.370 nan 4.420 nan 0.000 0.301 263 P C -1.094 176.275 177.300 0.114 0.000 1.338 263 P CA -0.295 62.837 63.100 0.052 0.000 0.834 263 P CB 0.847 32.580 31.700 0.055 0.000 0.967 264 F N 4.776 124.722 119.950 -0.007 0.000 2.385 264 F HA 0.510 5.037 4.527 -0.000 0.000 0.360 264 F C -0.479 175.443 175.800 0.203 0.000 1.122 264 F CA -0.758 57.301 58.000 0.098 0.000 1.090 264 F CB 0.551 39.462 39.000 -0.148 0.000 1.150 264 F HN 0.138 nan 8.300 nan 0.000 0.472 265 I N 7.138 127.751 120.570 0.072 0.000 2.362 265 I HA 0.343 4.512 4.170 -0.000 0.000 0.289 265 I C -1.056 175.150 176.117 0.149 0.000 0.994 265 I CA -0.867 60.506 61.300 0.122 0.000 1.158 265 I CB 1.662 39.630 38.000 -0.054 0.000 1.315 265 I HN 0.232 nan 8.210 nan 0.000 0.451 266 V N 6.797 126.835 119.914 0.207 0.000 2.357 266 V HA 0.408 4.528 4.120 -0.000 0.000 0.284 266 V C -0.376 175.815 176.094 0.162 0.000 1.018 266 V CA -0.577 61.807 62.300 0.140 0.000 0.841 266 V CB 1.176 32.885 31.823 -0.190 0.000 0.991 266 V HN 0.370 nan 8.190 nan 0.000 0.437 267 F N 1.995 122.078 119.950 0.222 0.000 2.432 267 F HA 0.341 4.868 4.527 -0.000 0.000 0.329 267 F C 1.653 177.465 175.800 0.020 0.000 1.076 267 F CA -0.108 57.996 58.000 0.172 0.000 1.018 267 F CB 1.082 40.161 39.000 0.130 0.000 1.201 267 F HN 0.662 nan 8.300 nan 0.000 0.489 268 D N 1.206 121.641 120.400 0.058 0.000 4.742 268 D HA -0.341 4.299 4.640 -0.000 0.000 0.284 268 D C 1.146 177.484 176.300 0.063 0.000 1.470 268 D CA 2.674 56.635 54.000 -0.065 0.000 0.932 268 D CB -0.102 40.560 40.800 -0.231 0.000 0.901 268 D HN 0.738 nan 8.370 nan 0.000 0.689 269 D N -0.334 120.124 120.400 0.097 0.000 2.340 269 D HA 0.286 4.926 4.640 -0.000 0.000 0.217 269 D C 0.283 176.655 176.300 0.120 0.000 1.081 269 D CA 0.100 54.147 54.000 0.079 0.000 0.842 269 D CB -0.278 40.541 40.800 0.032 0.000 0.934 269 D HN 0.318 nan 8.370 nan 0.000 0.511 270 A N 0.731 123.658 122.820 0.177 0.000 2.520 270 A HA 0.107 4.426 4.320 -0.000 0.000 0.235 270 A C 0.359 178.050 177.584 0.178 0.000 1.065 270 A CA -0.148 52.019 52.037 0.217 0.000 0.764 270 A CB 0.135 19.287 19.000 0.253 0.000 1.002 270 A HN 0.170 nan 8.150 nan 0.000 0.502 271 D N 2.357 122.882 120.400 0.208 0.000 2.346 271 D HA 0.049 4.689 4.640 -0.000 0.000 0.260 271 D C 0.950 177.345 176.300 0.159 0.000 1.252 271 D CA -0.195 53.908 54.000 0.172 0.000 0.895 271 D CB 0.471 41.380 40.800 0.182 0.000 1.097 271 D HN 0.377 nan 8.370 nan 0.000 0.489 272 L N 3.488 124.789 121.223 0.130 0.000 2.156 272 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 272 L C 1.546 178.488 176.870 0.121 0.000 1.095 272 L CA 1.154 56.081 54.840 0.145 0.000 0.770 272 L CB -0.320 41.825 42.059 0.143 0.000 0.914 272 L HN 0.467 nan 8.230 nan 0.000 0.439 273 D N -0.213 120.237 120.400 0.084 0.000 2.194 273 D HA -0.057 4.583 4.640 -0.000 0.000 0.204 273 D C 2.161 178.498 176.300 0.060 0.000 0.964 273 D CA 1.176 55.207 54.000 0.052 0.000 0.846 273 D CB 0.409 41.235 40.800 0.043 0.000 0.962 273 D HN 0.218 nan 8.370 nan 0.000 0.490 274 A N 1.106 123.987 122.820 0.100 0.000 1.930 274 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 274 A C 2.299 179.886 177.584 0.005 0.000 1.175 274 A CA 1.842 53.976 52.037 0.161 0.000 0.627 274 A CB -0.502 18.681 19.000 0.305 0.000 0.815 274 A HN 0.215 nan 8.150 nan 0.000 0.443 275 A N -0.666 122.012 122.820 -0.236 0.000 1.972 275 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 275 A C 2.199 179.775 177.584 -0.014 0.000 1.169 275 A CA 1.691 53.373 52.037 -0.592 0.000 0.635 275 A CB -0.741 18.102 19.000 -0.262 0.000 0.810 275 A HN 0.345 nan 8.150 nan 0.000 0.446 276 V N -0.083 119.868 119.914 0.062 0.000 2.379 276 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 276 V C 3.121 179.189 176.094 -0.043 0.000 1.044 276 V CA 2.477 64.747 62.300 -0.051 0.000 1.036 276 V CB -1.019 30.714 31.823 -0.151 0.000 0.664 276 V HN 0.786 nan 8.190 nan 0.000 0.453 277 E N 0.311 120.520 120.200 0.015 0.000 2.077 277 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 277 E C 2.292 178.962 176.600 0.117 0.000 0.989 277 E CA 1.593 58.027 56.400 0.058 0.000 0.800 277 E CB -1.347 28.406 29.700 0.088 0.000 0.746 277 E HN 0.657 nan 8.360 nan 0.000 0.452 278 G N 0.071 108.997 108.800 0.210 0.000 2.422 278 G HA2 0.096 4.056 3.960 -0.000 0.000 0.218 278 G HA3 0.096 4.056 3.960 -0.000 0.000 0.218 278 G C 1.960 177.020 174.900 0.266 0.000 1.140 278 G CA 1.593 46.923 45.100 0.384 0.000 0.775 278 G HN 0.847 nan 8.290 nan 0.000 0.545 279 A N 0.954 123.772 122.820 -0.003 0.000 1.897 279 A HA 0.133 4.453 4.320 -0.000 0.000 0.215 279 A C 2.316 179.912 177.584 0.020 0.000 1.181 279 A CA 1.007 52.875 52.037 -0.281 0.000 0.620 279 A CB -0.220 18.523 19.000 -0.429 0.000 0.821 279 A HN 0.255 nan 8.150 nan 0.000 0.443 280 I N 0.163 120.759 120.570 0.044 0.000 2.226 280 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 280 I C 2.924 179.133 176.117 0.153 0.000 1.100 280 I CA 1.561 62.947 61.300 0.144 0.000 1.374 280 I CB -1.524 36.489 38.000 0.021 0.000 1.057 280 I HN 0.366 nan 8.210 nan 0.000 0.413 281 A N 0.996 123.873 122.820 0.094 0.000 1.933 281 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 281 A C 2.517 180.126 177.584 0.043 0.000 1.175 281 A CA 2.239 54.325 52.037 0.082 0.000 0.628 281 A CB -0.674 18.384 19.000 0.096 0.000 0.814 281 A HN 0.563 nan 8.150 nan 0.000 0.444 282 S N -0.893 114.798 115.700 -0.015 0.000 2.446 282 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 282 S C 1.701 176.210 174.600 -0.153 0.000 1.016 282 S CA 1.352 59.459 58.200 -0.155 0.000 0.943 282 S CB -0.029 62.905 63.200 -0.443 0.000 0.786 282 S HN 0.487 nan 8.310 nan 0.000 0.508 283 K N -0.097 120.228 120.400 -0.125 0.000 2.335 283 K HA 0.295 4.615 4.320 -0.000 0.000 0.195 283 K C 0.470 176.825 176.600 -0.408 0.000 1.058 283 K CA 0.419 56.530 56.287 -0.294 0.000 0.988 283 K CB -0.058 32.261 32.500 -0.302 0.000 0.880 283 K HN 0.452 nan 8.250 nan 0.000 0.513 284 Y N 0.377 120.674 120.300 -0.005 0.000 2.557 284 Y HA 0.359 4.909 4.550 -0.000 0.000 0.247 284 Y C 0.038 175.936 175.900 -0.004 0.000 1.164 284 Y CA -0.696 57.404 58.100 -0.000 0.000 1.218 284 Y CB 0.470 38.932 38.460 0.003 0.000 1.210 284 Y HN -0.137 nan 8.280 nan 0.000 0.529 285 R N 1.743 122.296 120.500 0.088 0.000 2.491 285 R HA 0.034 4.374 4.340 -0.000 0.000 0.283 285 R C 0.630 176.941 176.300 0.018 0.000 1.072 285 R CA 0.281 56.415 56.100 0.057 0.000 1.048 285 R CB 0.103 30.437 30.300 0.055 0.000 0.983 285 R HN 0.263 nan 8.270 nan 0.000 0.450 286 N N 2.653 121.354 118.700 0.001 0.000 2.708 286 N HA -0.304 4.436 4.740 -0.000 0.000 0.249 286 N C -0.890 174.617 175.510 -0.005 0.000 1.097 286 N CA 1.457 54.478 53.050 -0.047 0.000 0.710 286 N CB -1.263 37.130 38.487 -0.157 0.000 1.032 286 N HN 0.919 nan 8.380 nan 0.000 0.551 287 N N -1.144 117.583 118.700 0.045 0.000 2.725 287 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 287 N C 0.655 176.175 175.510 0.017 0.000 1.103 287 N CA 2.358 55.456 53.050 0.081 0.000 0.707 287 N CB -1.425 37.116 38.487 0.090 0.000 1.043 287 N HN 1.243 nan 8.380 nan 0.000 0.553 288 G N -1.190 107.571 108.800 -0.064 0.000 2.147 288 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 288 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 288 G C 0.283 175.016 174.900 -0.279 0.000 1.005 288 G CA 0.521 45.512 45.100 -0.182 0.000 0.713 288 G HN 0.597 nan 8.290 nan 0.000 0.515 289 Q N 0.163 119.814 119.800 -0.248 0.000 2.172 289 Q HA 0.192 4.532 4.340 -0.000 0.000 0.217 289 Q C 1.203 176.882 176.000 -0.534 0.000 0.832 289 Q CA 0.563 56.134 55.803 -0.386 0.000 1.010 289 Q CB 0.721 29.512 28.738 0.088 0.000 1.133 289 Q HN 0.713 nan 8.270 nan 0.000 0.489 290 T N -3.630 110.692 114.554 -0.387 0.000 2.874 290 T HA 0.127 4.477 4.350 -0.000 0.000 0.281 290 T C 1.403 175.937 174.700 -0.276 0.000 0.994 290 T CA -0.786 61.245 62.100 -0.116 0.000 1.015 290 T CB 1.359 70.302 68.868 0.125 0.000 1.028 290 T HN 0.249 nan 8.240 nan 0.000 0.523 291 C N 0.960 120.256 119.300 -0.006 0.000 2.450 291 C HA 0.051 4.511 4.460 -0.000 0.000 0.279 291 C C 2.546 177.559 174.990 0.039 0.000 1.335 291 C CA 0.301 59.357 59.018 0.063 0.000 1.749 291 C CB -1.704 26.113 27.740 0.128 0.000 1.963 291 C HN 0.858 nan 8.230 nan 0.000 0.501 292 V N -2.127 117.836 119.914 0.081 0.000 3.577 292 V HA 0.231 4.351 4.120 -0.000 0.000 0.294 292 V C 0.795 176.978 176.094 0.148 0.000 1.317 292 V CA -0.655 61.718 62.300 0.122 0.000 1.169 292 V CB -2.071 29.871 31.823 0.198 0.000 1.011 292 V HN 0.560 nan 8.190 nan 0.000 0.426 293 C N 2.338 121.639 119.300 0.002 0.000 2.642 293 C HA 0.213 4.673 4.460 -0.000 0.000 0.420 293 C C 1.521 176.488 174.990 -0.038 0.000 1.349 293 C CA 0.560 59.536 59.018 -0.070 0.000 1.821 293 C CB -0.444 27.164 27.740 -0.220 0.000 2.637 293 C HN 0.671 nan 8.230 nan 0.000 0.605 294 T N 4.770 119.257 114.554 -0.110 0.000 2.822 294 T HA -0.062 4.288 4.350 -0.000 0.000 0.288 294 T C 1.000 175.561 174.700 -0.232 0.000 0.991 294 T CA 0.813 62.783 62.100 -0.215 0.000 1.176 294 T CB 0.005 68.530 68.868 -0.572 0.000 0.951 294 T HN 0.816 nan 8.240 nan 0.000 0.526 295 N N 2.689 121.305 118.700 -0.140 0.000 2.348 295 N HA 0.105 4.845 4.740 -0.000 0.000 0.183 295 N C -0.001 175.472 175.510 -0.062 0.000 1.094 295 N CA 0.174 53.185 53.050 -0.064 0.000 0.885 295 N CB 0.577 39.077 38.487 0.022 0.000 1.065 295 N HN 0.439 nan 8.380 nan 0.000 0.472 296 R N -0.143 120.255 120.500 -0.170 0.000 2.538 296 R HA 0.282 4.622 4.340 -0.000 0.000 0.292 296 R C -1.588 174.545 176.300 -0.279 0.000 1.008 296 R CA -0.618 55.349 56.100 -0.222 0.000 0.896 296 R CB 1.294 31.302 30.300 -0.485 0.000 1.187 296 R HN -0.036 nan 8.270 nan 0.000 0.440 297 F N 2.882 122.855 119.950 0.039 0.000 2.405 297 F HA 0.408 4.935 4.527 -0.000 0.000 0.355 297 F C -0.237 175.584 175.800 0.036 0.000 1.121 297 F CA -0.415 57.665 58.000 0.133 0.000 1.112 297 F CB 0.789 39.900 39.000 0.186 0.000 1.126 297 F HN 0.328 nan 8.300 nan 0.000 0.481 298 F N 3.435 123.628 119.950 0.405 0.000 2.375 298 F HA 0.574 5.101 4.527 -0.000 0.000 0.361 298 F C -0.475 175.599 175.800 0.457 0.000 1.117 298 F CA -0.997 57.233 58.000 0.383 0.000 1.037 298 F CB 1.329 40.387 39.000 0.097 0.000 1.192 298 F HN 0.001 nan 8.300 nan 0.000 0.452 299 V N 3.077 123.362 119.914 0.619 0.000 2.495 299 V HA 0.248 4.368 4.120 -0.000 0.000 0.298 299 V C 0.056 176.189 176.094 0.065 0.000 1.031 299 V CA -0.998 61.495 62.300 0.321 0.000 0.871 299 V CB 1.442 33.376 31.823 0.185 0.000 0.988 299 V HN 0.640 nan 8.190 nan 0.000 0.432 300 H N 3.125 121.927 119.070 -0.448 0.000 2.848 300 H HA 0.095 4.651 4.556 -0.000 0.000 0.341 300 H C 1.162 176.294 175.328 -0.326 0.000 1.060 300 H CA 0.695 56.188 56.048 -0.926 0.000 1.444 300 H CB 0.963 30.303 29.762 -0.703 0.000 1.446 300 H HN 0.876 nan 8.280 nan 0.000 0.583 301 E N 3.947 123.695 120.200 -0.753 0.000 2.132 301 E HA -0.326 4.024 4.350 -0.000 0.000 0.218 301 E C 2.096 178.647 176.600 -0.080 0.000 1.058 301 E CA 1.984 58.158 56.400 -0.377 0.000 0.882 301 E CB 0.043 29.472 29.700 -0.451 0.000 0.774 301 E HN 0.689 nan 8.360 nan 0.000 0.467 302 R N -0.119 120.396 120.500 0.026 0.000 2.159 302 R HA -0.124 4.216 4.340 -0.000 0.000 0.237 302 R C 2.262 178.647 176.300 0.141 0.000 1.131 302 R CA 1.509 57.688 56.100 0.132 0.000 0.982 302 R CB -0.111 30.316 30.300 0.211 0.000 0.868 302 R HN 0.270 nan 8.270 nan 0.000 0.453 303 V N -4.020 115.993 119.914 0.165 0.000 3.528 303 V HA 0.081 4.201 4.120 -0.000 0.000 0.294 303 V C 1.558 177.764 176.094 0.188 0.000 1.404 303 V CA -0.335 62.059 62.300 0.156 0.000 1.065 303 V CB -0.657 31.250 31.823 0.139 0.000 0.904 303 V HN 0.069 nan 8.190 nan 0.000 0.435 304 Y N 2.990 123.325 120.300 0.058 0.000 1.979 304 Y HA -0.283 4.266 4.550 -0.000 0.000 0.262 304 Y C 2.319 178.284 175.900 0.108 0.000 1.142 304 Y CA 2.720 60.869 58.100 0.081 0.000 1.096 304 Y CB -0.397 38.076 38.460 0.022 0.000 0.958 304 Y HN 0.321 nan 8.280 nan 0.000 0.484 305 D N 0.153 120.677 120.400 0.207 0.000 2.126 305 D HA -0.288 4.352 4.640 -0.000 0.000 0.190 305 D C 2.273 178.577 176.300 0.006 0.000 1.001 305 D CA 1.772 55.819 54.000 0.078 0.000 0.841 305 D CB -0.959 39.910 40.800 0.116 0.000 0.949 305 D HN 0.519 nan 8.370 nan 0.000 0.446 306 A N 0.507 123.360 122.820 0.055 0.000 1.908 306 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 306 A C 2.136 179.737 177.584 0.028 0.000 1.181 306 A CA 1.338 53.400 52.037 0.042 0.000 0.627 306 A CB -0.987 18.058 19.000 0.074 0.000 0.818 306 A HN 0.241 nan 8.150 nan 0.000 0.445 307 F N 0.755 120.644 119.950 -0.101 0.000 2.084 307 F HA 0.023 4.550 4.527 -0.000 0.000 0.296 307 F C 2.590 178.251 175.800 -0.231 0.000 1.111 307 F CA 1.131 59.041 58.000 -0.150 0.000 1.224 307 F CB -0.652 38.270 39.000 -0.131 0.000 0.991 307 F HN 0.251 nan 8.300 nan 0.000 0.471 308 A N 0.282 122.927 122.820 -0.291 0.000 1.892 308 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 308 A C 1.956 179.336 177.584 -0.340 0.000 1.188 308 A CA 2.306 54.099 52.037 -0.406 0.000 0.631 308 A CB -1.211 17.540 19.000 -0.416 0.000 0.822 308 A HN 0.484 nan 8.150 nan 0.000 0.447 309 D N -0.191 120.070 120.400 -0.232 0.000 2.092 309 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 309 D C 1.985 178.155 176.300 -0.216 0.000 0.994 309 D CA 1.339 55.233 54.000 -0.177 0.000 0.828 309 D CB -0.248 40.488 40.800 -0.108 0.000 0.963 309 D HN 0.332 nan 8.370 nan 0.000 0.450 310 K N 0.078 120.329 120.400 -0.248 0.000 2.063 310 K HA -0.135 4.184 4.320 -0.000 0.000 0.208 310 K C 2.151 178.536 176.600 -0.358 0.000 1.048 310 K CA 0.462 56.591 56.287 -0.262 0.000 0.928 310 K CB -0.524 31.834 32.500 -0.236 0.000 0.713 310 K HN 0.152 nan 8.250 nan 0.000 0.442 311 L N 0.959 121.849 121.223 -0.556 0.000 2.023 311 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 311 L C 2.298 178.944 176.870 -0.373 0.000 1.073 311 L CA 1.820 56.313 54.840 -0.580 0.000 0.745 311 L CB -0.780 40.738 42.059 -0.901 0.000 0.900 311 L HN 0.129 nan 8.230 nan 0.000 0.435 312 A N -0.393 122.235 122.820 -0.320 0.000 1.948 312 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 312 A C 2.424 179.898 177.584 -0.183 0.000 1.177 312 A CA 2.017 53.926 52.037 -0.214 0.000 0.636 312 A CB -1.194 17.702 19.000 -0.173 0.000 0.815 312 A HN 0.604 nan 8.150 nan 0.000 0.449 313 A N -0.194 122.515 122.820 -0.185 0.000 1.858 313 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 313 A C 2.541 180.031 177.584 -0.157 0.000 1.190 313 A CA 2.243 54.190 52.037 -0.150 0.000 0.617 313 A CB -1.116 17.803 19.000 -0.136 0.000 0.827 313 A HN 1.123 nan 8.150 nan 0.000 0.443 314 A N -0.811 121.896 122.820 -0.188 0.000 1.930 314 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 314 A C 2.221 179.674 177.584 -0.218 0.000 1.175 314 A CA 1.635 53.562 52.037 -0.183 0.000 0.627 314 A CB -0.847 18.039 19.000 -0.189 0.000 0.815 314 A HN 0.367 nan 8.150 nan 0.000 0.443 315 V N 0.948 120.702 119.914 -0.267 0.000 2.343 315 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 315 V C 3.003 178.941 176.094 -0.259 0.000 1.051 315 V CA 2.419 64.504 62.300 -0.357 0.000 1.036 315 V CB -0.764 30.850 31.823 -0.349 0.000 0.654 315 V HN 0.820 nan 8.190 nan 0.000 0.451 316 S N 0.554 116.149 115.700 -0.175 0.000 2.428 316 S HA -0.066 4.404 4.470 -0.000 0.000 0.230 316 S C 1.664 176.200 174.600 -0.107 0.000 1.014 316 S CA 1.142 59.270 58.200 -0.121 0.000 0.957 316 S CB -0.479 62.665 63.200 -0.094 0.000 0.784 316 S HN 0.617 nan 8.310 nan 0.000 0.499 317 K N 1.050 121.379 120.400 -0.117 0.000 2.911 317 K HA 0.632 4.952 4.320 -0.000 0.000 0.239 317 K C -0.045 176.494 176.600 -0.101 0.000 1.090 317 K CA -0.080 56.149 56.287 -0.096 0.000 1.225 317 K CB -0.966 31.481 32.500 -0.088 0.000 1.087 317 K HN 0.593 nan 8.250 nan 0.000 0.464 318 L N 0.264 121.418 121.223 -0.116 0.000 2.365 318 L HA 0.420 4.760 4.340 -0.000 0.000 0.273 318 L C 0.014 176.834 176.870 -0.083 0.000 1.000 318 L CA -1.045 53.728 54.840 -0.112 0.000 0.819 318 L CB 2.483 44.439 42.059 -0.171 0.000 1.284 318 L HN 0.199 nan 8.230 nan 0.000 0.418 319 K N 2.593 122.954 120.400 -0.065 0.000 2.284 319 K HA 0.399 4.719 4.320 -0.000 0.000 0.287 319 K C -0.790 175.765 176.600 -0.076 0.000 1.081 319 K CA -0.516 55.735 56.287 -0.060 0.000 0.910 319 K CB 0.899 33.371 32.500 -0.047 0.000 1.088 319 K HN 0.339 nan 8.250 nan 0.000 0.478 320 V N 3.175 123.012 119.914 -0.130 0.000 2.686 320 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 320 V C 0.808 176.738 176.094 -0.273 0.000 1.055 320 V CA 0.222 62.386 62.300 -0.227 0.000 1.050 320 V CB 0.978 32.468 31.823 -0.554 0.000 0.984 320 V HN 1.032 nan 8.190 nan 0.000 0.482 321 G N 1.952 110.621 108.800 -0.217 0.000 2.340 321 G HA2 0.565 4.525 3.960 -0.000 0.000 0.300 321 G HA3 0.565 4.525 3.960 -0.000 0.000 0.300 321 G C -0.684 174.259 174.900 0.071 0.000 1.488 321 G CA -0.464 44.480 45.100 -0.260 0.000 0.878 321 G HN 0.928 nan 8.290 nan 0.000 0.618 322 R N -0.550 120.003 120.500 0.088 0.000 2.640 322 R HA 0.571 4.911 4.340 -0.000 0.000 0.270 322 R C 1.824 178.203 176.300 0.132 0.000 1.024 322 R CA 1.250 57.503 56.100 0.255 0.000 1.085 322 R CB -0.166 30.252 30.300 0.197 0.000 0.963 322 R HN 2.342 nan 8.270 nan 0.000 0.426 323 G N 0.039 108.911 108.800 0.120 0.000 2.462 323 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 323 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 323 G C 1.543 176.469 174.900 0.044 0.000 1.121 323 G CA 1.620 46.762 45.100 0.069 0.000 0.758 323 G HN 0.912 nan 8.290 nan 0.000 0.559 324 T N -1.267 113.312 114.554 0.041 0.000 3.055 324 T HA 0.094 4.444 4.350 -0.000 0.000 0.265 324 T C 1.040 175.750 174.700 0.018 0.000 1.111 324 T CA 0.472 62.587 62.100 0.024 0.000 1.118 324 T CB 0.116 68.996 68.868 0.019 0.000 0.909 324 T HN 0.400 nan 8.240 nan 0.000 0.501 325 E N 2.419 122.631 120.200 0.019 0.000 2.003 325 E HA 0.194 4.544 4.350 -0.000 0.000 0.279 325 E C -0.804 175.798 176.600 0.003 0.000 1.132 325 E CA -0.222 56.182 56.400 0.007 0.000 0.888 325 E CB 0.256 29.955 29.700 -0.002 0.000 1.056 325 E HN 0.117 nan 8.360 nan 0.000 0.399 326 S N 3.094 118.795 115.700 0.001 0.000 2.752 326 S HA 0.147 4.617 4.470 -0.000 0.000 0.329 326 S C 0.809 175.406 174.600 -0.005 0.000 1.204 326 S CA 0.928 59.128 58.200 -0.000 0.000 1.252 326 S CB 0.077 63.276 63.200 -0.001 0.000 1.053 326 S HN 0.853 nan 8.310 nan 0.000 0.533 327 G N 2.371 111.168 108.800 -0.005 0.000 3.211 327 G HA2 0.029 3.989 3.960 -0.000 0.000 0.202 327 G HA3 0.029 3.989 3.960 -0.000 0.000 0.202 327 G C 0.113 175.005 174.900 -0.013 0.000 1.035 327 G CA -0.202 44.891 45.100 -0.011 0.000 0.846 327 G HN 1.026 nan 8.290 nan 0.000 0.464 328 A N 1.446 124.261 122.820 -0.009 0.000 2.491 328 A HA 0.570 4.890 4.320 -0.000 0.000 0.261 328 A C 1.433 179.022 177.584 0.008 0.000 1.101 328 A CA 1.638 53.672 52.037 -0.006 0.000 0.772 328 A CB 0.204 19.209 19.000 0.009 0.000 1.043 328 A HN 1.249 nan 8.150 nan 0.000 0.501 329 T N 0.522 115.077 114.554 0.003 0.000 2.990 329 T HA 0.361 4.711 4.350 -0.000 0.000 0.250 329 T C 0.242 174.962 174.700 0.032 0.000 1.041 329 T CA 0.166 62.273 62.100 0.012 0.000 1.010 329 T CB -0.285 68.581 68.868 -0.002 0.000 1.003 329 T HN 0.363 nan 8.240 nan 0.000 0.499 330 L N 1.726 122.972 121.223 0.039 0.000 2.356 330 L HA 0.757 5.097 4.340 -0.000 0.000 0.277 330 L C 0.691 177.641 176.870 0.134 0.000 0.996 330 L CA -1.148 53.740 54.840 0.080 0.000 0.822 330 L CB 1.945 44.051 42.059 0.078 0.000 1.256 330 L HN 0.270 nan 8.230 nan 0.000 0.413 331 G N 2.675 111.560 108.800 0.142 0.000 2.583 331 G HA2 0.656 4.616 3.960 -0.000 0.000 0.280 331 G HA3 0.656 4.616 3.960 -0.000 0.000 0.280 331 G C -2.761 172.182 174.900 0.072 0.000 1.376 331 G CA -1.132 44.081 45.100 0.188 0.000 1.043 331 G HN 0.329 nan 8.290 nan 0.000 0.538 332 P HA 0.354 nan 4.420 nan 0.000 0.279 332 P C -0.581 176.593 177.300 -0.210 0.000 1.252 332 P CA -0.565 62.194 63.100 -0.568 0.000 0.811 332 P CB 1.268 32.334 31.700 -1.057 0.000 1.035 333 L N 1.932 123.076 121.223 -0.131 0.000 2.464 333 L HA 0.160 4.500 4.340 -0.000 0.000 0.264 333 L C 2.280 179.048 176.870 -0.169 0.000 1.199 333 L CA 0.234 55.027 54.840 -0.079 0.000 0.818 333 L CB -0.322 41.715 42.059 -0.037 0.000 1.102 333 L HN 0.342 nan 8.230 nan 0.000 0.473 334 I N 0.737 121.152 120.570 -0.259 0.000 2.493 334 I HA -0.165 4.005 4.170 -0.000 0.000 0.254 334 I C 0.445 176.370 176.117 -0.320 0.000 1.160 334 I CA 0.938 62.000 61.300 -0.396 0.000 1.445 334 I CB -0.097 37.361 38.000 -0.904 0.000 1.086 334 I HN 1.007 nan 8.210 nan 0.000 0.433 335 N N -2.735 115.804 118.700 -0.268 0.000 3.277 335 N HA 0.116 4.856 4.740 -0.000 0.000 0.278 335 N C 0.245 175.683 175.510 -0.118 0.000 1.544 335 N CA -0.631 52.309 53.050 -0.183 0.000 0.869 335 N CB 0.246 38.613 38.487 -0.201 0.000 1.584 335 N HN -0.317 nan 8.380 nan 0.000 0.564 336 E N 0.058 120.205 120.200 -0.088 0.000 2.031 336 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 336 E C 1.764 178.331 176.600 -0.055 0.000 0.994 336 E CA 1.962 58.330 56.400 -0.052 0.000 0.800 336 E CB -0.795 28.878 29.700 -0.045 0.000 0.752 336 E HN 0.676 nan 8.360 nan 0.000 0.447 337 A N 1.311 124.089 122.820 -0.071 0.000 1.978 337 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 337 A C 2.375 179.914 177.584 -0.074 0.000 1.170 337 A CA 2.131 54.129 52.037 -0.065 0.000 0.636 337 A CB -0.524 18.436 19.000 -0.067 0.000 0.810 337 A HN 0.276 nan 8.150 nan 0.000 0.448 338 A N -0.434 122.332 122.820 -0.089 0.000 1.858 338 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 338 A C 2.236 179.760 177.584 -0.099 0.000 1.190 338 A CA 1.851 53.841 52.037 -0.079 0.000 0.617 338 A CB -1.086 17.862 19.000 -0.087 0.000 0.827 338 A HN 0.431 nan 8.150 nan 0.000 0.443 339 V N 0.525 120.391 119.914 -0.080 0.000 2.255 339 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 339 V C 3.116 179.155 176.094 -0.091 0.000 1.051 339 V CA 2.880 65.134 62.300 -0.076 0.000 1.018 339 V CB -1.394 30.466 31.823 0.061 0.000 0.641 339 V HN 0.717 nan 8.190 nan 0.000 0.445 340 K N -0.070 120.306 120.400 -0.040 0.000 2.442 340 K HA -0.218 4.102 4.320 -0.000 0.000 0.199 340 K C 1.952 178.518 176.600 -0.057 0.000 1.044 340 K CA 1.993 58.265 56.287 -0.024 0.000 0.941 340 K CB -0.497 31.995 32.500 -0.013 0.000 0.759 340 K HN 0.508 nan 8.250 nan 0.000 0.472 341 K N -0.284 120.048 120.400 -0.113 0.000 2.168 341 K HA 0.123 4.443 4.320 -0.000 0.000 0.201 341 K C 1.930 178.372 176.600 -0.262 0.000 1.049 341 K CA 0.922 57.106 56.287 -0.172 0.000 0.974 341 K CB -0.062 32.327 32.500 -0.186 0.000 0.792 341 K HN 0.092 nan 8.250 nan 0.000 0.463 342 V N 1.724 121.465 119.914 -0.289 0.000 2.332 342 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 342 V C 1.902 177.877 176.094 -0.199 0.000 1.055 342 V CA 2.120 64.218 62.300 -0.338 0.000 1.038 342 V CB -0.477 30.964 31.823 -0.637 0.000 0.651 342 V HN 0.375 nan 8.190 nan 0.000 0.450 343 E N -0.036 120.076 120.200 -0.147 0.000 2.072 343 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 343 E C 2.424 179.067 176.600 0.072 0.000 0.985 343 E CA 1.420 57.845 56.400 0.041 0.000 0.801 343 E CB -0.270 29.494 29.700 0.107 0.000 0.750 343 E HN 0.532 nan 8.360 nan 0.000 0.452 344 S N -0.182 115.549 115.700 0.051 0.000 2.382 344 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 344 S C 1.774 176.491 174.600 0.195 0.000 1.027 344 S CA 1.161 59.423 58.200 0.104 0.000 0.991 344 S CB -0.223 63.032 63.200 0.092 0.000 0.823 344 S HN 0.389 nan 8.310 nan 0.000 0.469 345 H N -0.181 118.900 119.070 0.019 0.000 2.363 345 H HA 0.073 4.629 4.556 -0.000 0.000 0.301 345 H C 2.113 177.462 175.328 0.035 0.000 1.074 345 H CA 1.440 57.506 56.048 0.030 0.000 1.354 345 H CB 0.003 29.781 29.762 0.026 0.000 1.397 345 H HN 0.394 nan 8.280 nan 0.000 0.516 346 I N 0.715 121.386 120.570 0.169 0.000 2.179 346 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 346 I C 2.838 179.012 176.117 0.094 0.000 1.088 346 I CA 0.976 62.351 61.300 0.125 0.000 1.357 346 I CB -0.239 37.854 38.000 0.154 0.000 1.051 346 I HN 0.218 nan 8.210 nan 0.000 0.409 347 A N 0.484 123.361 122.820 0.096 0.000 1.930 347 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 347 A C 1.969 179.586 177.584 0.055 0.000 1.175 347 A CA 2.245 54.325 52.037 0.072 0.000 0.627 347 A CB -0.768 18.276 19.000 0.072 0.000 0.815 347 A HN 0.538 nan 8.150 nan 0.000 0.443 348 D N -0.213 120.222 120.400 0.059 0.000 2.117 348 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 348 D C 1.939 178.248 176.300 0.014 0.000 0.987 348 D CA 1.644 55.665 54.000 0.035 0.000 0.829 348 D CB -0.173 40.645 40.800 0.029 0.000 0.961 348 D HN 0.325 nan 8.370 nan 0.000 0.460 349 A N 0.588 123.415 122.820 0.012 0.000 1.845 349 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 349 A C 2.288 179.870 177.584 -0.003 0.000 1.195 349 A CA 1.088 53.118 52.037 -0.010 0.000 0.616 349 A CB -0.964 18.031 19.000 -0.009 0.000 0.832 349 A HN 0.350 nan 8.150 nan 0.000 0.443 350 L N -0.450 120.782 121.223 0.016 0.000 1.990 350 L HA -0.264 4.076 4.340 -0.000 0.000 0.213 350 L C 3.087 179.964 176.870 0.012 0.000 1.072 350 L CA 2.302 57.152 54.840 0.017 0.000 0.755 350 L CB -1.641 40.435 42.059 0.029 0.000 0.889 350 L HN 0.492 nan 8.230 nan 0.000 0.432 351 A N -0.553 122.277 122.820 0.017 0.000 1.958 351 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 351 A C 2.248 179.837 177.584 0.008 0.000 1.178 351 A CA 2.027 54.073 52.037 0.015 0.000 0.642 351 A CB -0.391 18.621 19.000 0.019 0.000 0.816 351 A HN 0.410 nan 8.150 nan 0.000 0.453 352 K N -2.371 118.031 120.400 0.002 0.000 2.374 352 K HA 0.298 4.618 4.320 -0.000 0.000 0.196 352 K C 0.945 177.540 176.600 -0.009 0.000 1.023 352 K CA 0.513 56.799 56.287 -0.002 0.000 1.103 352 K CB 0.306 32.803 32.500 -0.005 0.000 0.848 352 K HN 0.620 nan 8.250 nan 0.000 0.528 353 G N 0.156 108.951 108.800 -0.009 0.000 2.367 353 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.181 353 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.181 353 G C 0.182 175.073 174.900 -0.015 0.000 1.000 353 G CA -0.229 44.865 45.100 -0.011 0.000 0.693 353 G HN 0.355 nan 8.290 nan 0.000 0.480 354 A N 0.200 123.006 122.820 -0.023 0.000 2.386 354 A HA 0.726 5.046 4.320 -0.000 0.000 0.246 354 A C 0.579 178.161 177.584 -0.004 0.000 1.089 354 A CA 1.082 53.104 52.037 -0.025 0.000 0.790 354 A CB 0.503 19.476 19.000 -0.045 0.000 1.042 354 A HN 1.054 nan 8.150 nan 0.000 0.497 355 S N -0.151 115.551 115.700 0.004 0.000 2.532 355 S HA 0.467 4.937 4.470 -0.000 0.000 0.299 355 S C -0.829 173.778 174.600 0.012 0.000 1.105 355 S CA -0.488 57.719 58.200 0.011 0.000 1.018 355 S CB 1.316 64.525 63.200 0.015 0.000 1.021 355 S HN 0.705 nan 8.310 nan 0.000 0.483 356 L N 3.976 125.208 121.223 0.015 0.000 2.315 356 L HA 0.440 4.780 4.340 -0.000 0.000 0.283 356 L C 0.621 177.494 176.870 0.004 0.000 1.089 356 L CA 0.418 55.270 54.840 0.019 0.000 0.833 356 L CB 0.395 42.471 42.059 0.028 0.000 1.170 356 L HN 0.899 nan 8.230 nan 0.000 0.442 357 M N 2.386 121.984 119.600 -0.003 0.000 2.557 357 M HA 0.130 4.610 4.480 -0.000 0.000 0.262 357 M C 0.327 176.608 176.300 -0.031 0.000 1.168 357 M CA 0.624 55.908 55.300 -0.027 0.000 1.194 357 M CB 0.474 33.043 32.600 -0.053 0.000 1.311 357 M HN 0.718 nan 8.290 nan 0.000 0.489 358 T N -1.109 113.435 114.554 -0.017 0.000 2.843 358 T HA 0.565 4.915 4.350 -0.000 0.000 0.302 358 T C -0.134 174.575 174.700 0.016 0.000 1.232 358 T CA 0.069 62.158 62.100 -0.019 0.000 1.009 358 T CB 1.185 70.024 68.868 -0.048 0.000 1.254 358 T HN 0.690 nan 8.240 nan 0.000 0.504 359 G N 1.279 110.083 108.800 0.006 0.000 2.591 359 G HA2 0.239 4.199 3.960 -0.000 0.000 0.278 359 G HA3 0.239 4.199 3.960 -0.000 0.000 0.278 359 G C 0.845 175.769 174.900 0.039 0.000 1.293 359 G CA 0.941 46.054 45.100 0.022 0.000 0.930 359 G HN 2.367 nan 8.290 nan 0.000 0.562 360 G N -3.825 105.020 108.800 0.074 0.000 2.164 360 G HA2 0.580 4.540 3.960 -0.000 0.000 0.154 360 G HA3 0.580 4.540 3.960 -0.000 0.000 0.154 360 G C 0.284 175.200 174.900 0.026 0.000 1.014 360 G CA 1.380 46.571 45.100 0.151 0.000 0.683 360 G HN 2.504 nan 8.290 nan 0.000 0.500 361 K N -0.002 120.186 120.400 -0.354 0.000 2.495 361 K HA 0.894 5.214 4.320 -0.000 0.000 0.268 361 K C 0.196 176.160 176.600 -1.060 0.000 1.008 361 K CA -0.480 55.521 56.287 -0.477 0.000 0.882 361 K CB 0.749 33.118 32.500 -0.218 0.000 1.443 361 K HN 0.577 nan 8.250 nan 0.000 0.447 362 R N 1.795 121.943 120.500 -0.588 0.000 2.570 362 R HA 0.113 4.453 4.340 -0.000 0.000 0.277 362 R C 0.277 176.451 176.300 -0.210 0.000 1.039 362 R CA -0.518 55.365 56.100 -0.360 0.000 1.065 362 R CB 0.179 30.457 30.300 -0.035 0.000 0.964 362 R HN 0.712 nan 8.270 nan 0.000 0.428 363 H N 1.334 120.299 119.070 -0.174 0.000 2.690 363 H HA 0.027 4.583 4.556 -0.000 0.000 0.365 363 H C 0.865 176.166 175.328 -0.045 0.000 1.142 363 H CA 0.477 56.472 56.048 -0.087 0.000 1.417 363 H CB 1.341 31.105 29.762 0.004 0.000 1.446 363 H HN 0.756 nan 8.280 nan 0.000 0.599 364 A N 4.631 127.206 122.820 -0.408 0.000 1.933 364 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 364 A C 2.826 180.387 177.584 -0.040 0.000 1.175 364 A CA 1.790 53.695 52.037 -0.220 0.000 0.628 364 A CB -1.229 17.592 19.000 -0.298 0.000 0.814 364 A HN 0.676 nan 8.150 nan 0.000 0.444 365 L N -1.276 120.000 121.223 0.090 0.000 2.551 365 L HA 0.344 4.684 4.340 -0.000 0.000 0.230 365 L C 1.924 178.948 176.870 0.256 0.000 1.163 365 L CA 1.646 56.547 54.840 0.102 0.000 0.826 365 L CB -2.363 39.589 42.059 -0.180 0.000 0.943 365 L HN 1.729 nan 8.230 nan 0.000 0.452 366 G N -2.288 106.649 108.800 0.228 0.000 2.601 366 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.261 366 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.261 366 G C 0.432 175.504 174.900 0.287 0.000 1.289 366 G CA 0.938 46.125 45.100 0.146 0.000 0.920 366 G HN 1.685 nan 8.290 nan 0.000 0.571 367 H N -2.404 116.755 119.070 0.148 0.000 1.452 367 H HA -0.293 4.263 4.556 -0.000 0.000 0.090 367 H C 2.195 177.540 175.328 0.028 0.000 0.610 367 H CA 3.448 59.538 56.048 0.070 0.000 1.901 367 H CB -1.359 28.437 29.762 0.056 0.000 2.257 367 H HN 1.604 nan 8.280 nan 0.000 0.961 368 G N -0.372 108.478 108.800 0.083 0.000 2.784 368 G HA2 0.213 4.173 3.960 -0.000 0.000 0.208 368 G HA3 0.213 4.173 3.960 -0.000 0.000 0.208 368 G C -0.281 174.615 174.900 -0.007 0.000 1.120 368 G CA 0.008 45.075 45.100 -0.055 0.000 0.774 368 G HN 0.192 nan 8.290 nan 0.000 0.528 369 F N 0.696 120.736 119.950 0.151 0.000 2.608 369 F HA 0.432 4.959 4.527 -0.000 0.000 0.380 369 F C 0.010 175.942 175.800 0.219 0.000 1.083 369 F CA -0.264 57.814 58.000 0.129 0.000 1.266 369 F CB 0.264 39.302 39.000 0.064 0.000 1.076 369 F HN -0.025 nan 8.300 nan 0.000 0.574 370 F N 1.900 121.986 119.950 0.227 0.000 2.588 370 F HA 0.380 4.907 4.527 -0.000 0.000 0.314 370 F C -0.286 175.614 175.800 0.167 0.000 1.069 370 F CA -1.018 57.092 58.000 0.182 0.000 0.931 370 F CB 1.387 40.461 39.000 0.123 0.000 1.260 370 F HN 0.403 nan 8.300 nan 0.000 0.465 371 E N 5.181 125.329 120.200 -0.087 0.000 2.316 371 E HA 0.192 4.542 4.350 -0.000 0.000 0.275 371 E C -2.312 174.457 176.600 0.281 0.000 1.029 371 E CA -1.807 54.635 56.400 0.070 0.000 0.871 371 E CB 0.508 30.158 29.700 -0.084 0.000 1.022 371 E HN 0.162 nan 8.360 nan 0.000 0.418 372 P HA -0.049 nan 4.420 nan 0.000 0.261 372 P C -0.868 176.554 177.300 0.203 0.000 1.203 372 P CA 0.293 63.525 63.100 0.220 0.000 0.767 372 P CB 0.402 32.062 31.700 -0.067 0.000 0.785 373 T N 3.064 117.811 114.554 0.322 0.000 2.797 373 T HA 0.412 4.762 4.350 -0.000 0.000 0.279 373 T C -0.038 174.790 174.700 0.214 0.000 0.991 373 T CA -0.473 61.769 62.100 0.237 0.000 0.979 373 T CB 1.198 70.231 68.868 0.274 0.000 0.943 373 T HN 0.030 nan 8.240 nan 0.000 0.444 374 V N 4.525 124.504 119.914 0.108 0.000 2.448 374 V HA 0.514 4.634 4.120 -0.000 0.000 0.295 374 V C -0.382 175.731 176.094 0.032 0.000 1.025 374 V CA -0.842 61.490 62.300 0.054 0.000 0.859 374 V CB 1.575 33.371 31.823 -0.046 0.000 0.988 374 V HN 0.731 nan 8.190 nan 0.000 0.431 375 L N 4.412 125.657 121.223 0.036 0.000 2.334 375 L HA 0.734 5.074 4.340 -0.000 0.000 0.276 375 L C 0.485 177.354 176.870 -0.001 0.000 1.014 375 L CA -0.261 54.590 54.840 0.018 0.000 0.815 375 L CB 2.424 44.496 42.059 0.021 0.000 1.268 375 L HN 0.851 nan 8.230 nan 0.000 0.428 376 T N -1.967 112.592 114.554 0.008 0.000 2.949 376 T HA 0.600 4.950 4.350 -0.000 0.000 0.287 376 T C 0.681 175.423 174.700 0.069 0.000 1.034 376 T CA -0.151 61.989 62.100 0.067 0.000 1.018 376 T CB 1.672 70.596 68.868 0.093 0.000 1.135 376 T HN 0.937 nan 8.240 nan 0.000 0.532 377 G N 0.227 109.117 108.800 0.150 0.000 2.338 377 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.296 377 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.296 377 G C -0.149 174.696 174.900 -0.091 0.000 1.040 377 G CA 0.010 45.123 45.100 0.022 0.000 1.004 377 G HN 1.072 nan 8.290 nan 0.000 0.509 378 V N -0.167 119.619 119.914 -0.213 0.000 2.407 378 V HA 0.830 4.950 4.120 -0.000 0.000 0.278 378 V C 0.681 176.413 176.094 -0.602 0.000 1.037 378 V CA 0.279 62.280 62.300 -0.498 0.000 0.900 378 V CB 1.093 32.425 31.823 -0.818 0.000 0.983 378 V HN 0.920 nan 8.190 nan 0.000 0.459 379 K N 6.152 126.345 120.400 -0.346 0.000 2.258 379 K HA 0.694 5.014 4.320 -0.000 0.000 0.236 379 K C -2.064 174.609 176.600 0.121 0.000 1.008 379 K CA -1.640 54.605 56.287 -0.070 0.000 0.869 379 K CB 0.524 33.018 32.500 -0.011 0.000 1.171 379 K HN 0.480 nan 8.250 nan 0.000 0.447 380 P HA -0.138 nan 4.420 nan 0.000 0.225 380 P C 0.035 177.446 177.300 0.184 0.000 1.148 380 P CA 1.208 64.500 63.100 0.319 0.000 0.779 380 P CB 0.112 31.962 31.700 0.250 0.000 0.780 381 D N -1.589 118.878 120.400 0.113 0.000 2.336 381 D HA -0.016 4.624 4.640 -0.000 0.000 0.229 381 D C 0.652 176.981 176.300 0.049 0.000 1.061 381 D CA 0.214 54.256 54.000 0.070 0.000 0.875 381 D CB -0.626 40.202 40.800 0.047 0.000 0.904 381 D HN 0.190 nan 8.370 nan 0.000 0.525 382 M N 0.354 119.985 119.600 0.053 0.000 2.367 382 M HA 0.200 4.680 4.480 -0.000 0.000 0.339 382 M C 0.510 176.806 176.300 -0.006 0.000 1.177 382 M CA -0.834 54.470 55.300 0.006 0.000 1.068 382 M CB 1.602 34.179 32.600 -0.038 0.000 1.602 382 M HN -0.370 nan 8.290 nan 0.000 0.457 383 D N 1.131 121.481 120.400 -0.083 0.000 2.126 383 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 383 D C 1.780 177.912 176.300 -0.281 0.000 1.001 383 D CA 1.286 55.185 54.000 -0.169 0.000 0.841 383 D CB -0.150 40.507 40.800 -0.238 0.000 0.949 383 D HN 0.436 nan 8.370 nan 0.000 0.446 384 V N 0.593 120.246 119.914 -0.435 0.000 2.568 384 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 384 V C 2.057 178.208 176.094 0.095 0.000 1.072 384 V CA 2.062 64.215 62.300 -0.245 0.000 1.084 384 V CB -0.510 31.271 31.823 -0.069 0.000 0.676 384 V HN 0.248 nan 8.190 nan 0.000 0.469 385 A N -0.723 122.212 122.820 0.191 0.000 2.066 385 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 385 A C 2.136 179.817 177.584 0.162 0.000 1.157 385 A CA 1.837 54.031 52.037 0.261 0.000 0.670 385 A CB -0.426 18.806 19.000 0.387 0.000 0.804 385 A HN 0.664 nan 8.150 nan 0.000 0.453 386 K N -0.381 120.104 120.400 0.141 0.000 2.413 386 K HA 0.440 4.760 4.320 -0.000 0.000 0.204 386 K C 0.035 176.785 176.600 0.250 0.000 1.041 386 K CA 0.454 56.846 56.287 0.174 0.000 1.082 386 K CB 0.177 32.752 32.500 0.125 0.000 0.871 386 K HN 0.613 nan 8.250 nan 0.000 0.535 387 E N 0.083 120.409 120.200 0.209 0.000 2.352 387 E HA 0.235 4.585 4.350 -0.000 0.000 0.280 387 E C -1.549 175.208 176.600 0.263 0.000 0.930 387 E CA -0.453 56.089 56.400 0.238 0.000 0.765 387 E CB 1.731 31.583 29.700 0.253 0.000 1.219 387 E HN 0.374 nan 8.360 nan 0.000 0.434 388 E N 1.269 121.577 120.200 0.179 0.000 2.316 388 E HA 0.110 4.460 4.350 -0.000 0.000 0.275 388 E C 0.191 176.938 176.600 0.245 0.000 1.029 388 E CA 0.163 56.682 56.400 0.198 0.000 0.871 388 E CB 1.246 31.043 29.700 0.163 0.000 1.022 388 E HN 0.480 nan 8.360 nan 0.000 0.418 389 T N 2.836 117.526 114.554 0.227 0.000 2.770 389 T HA -0.081 4.269 4.350 -0.000 0.000 0.258 389 T C 0.331 175.113 174.700 0.136 0.000 1.039 389 T CA 0.220 62.352 62.100 0.053 0.000 1.143 389 T CB -0.149 68.781 68.868 0.104 0.000 0.866 389 T HN 0.605 nan 8.240 nan 0.000 0.428 390 F N 1.038 120.964 119.950 -0.041 0.000 3.071 390 F HA -0.091 4.436 4.527 -0.000 0.000 0.295 390 F C 0.748 176.543 175.800 -0.008 0.000 0.919 390 F CA 0.563 58.562 58.000 -0.000 0.000 1.050 390 F CB -1.342 37.693 39.000 0.058 0.000 1.040 390 F HN 0.375 nan 8.300 nan 0.000 0.692 391 G N -1.291 107.509 108.800 -0.001 0.000 2.721 391 G HA2 0.679 4.639 3.960 -0.000 0.000 0.296 391 G HA3 0.679 4.639 3.960 -0.000 0.000 0.296 391 G C -3.113 171.744 174.900 -0.071 0.000 1.383 391 G CA -0.955 44.121 45.100 -0.040 0.000 0.788 391 G HN -0.248 nan 8.290 nan 0.000 0.500 392 P HA 0.318 nan 4.420 nan 0.000 0.212 392 P C -0.748 176.605 177.300 0.088 0.000 1.816 392 P CA -0.257 62.872 63.100 0.048 0.000 0.944 392 P CB 0.198 32.118 31.700 0.366 0.000 1.896 393 L N 0.519 121.719 121.223 -0.038 0.000 2.319 393 L HA 0.742 5.082 4.340 -0.000 0.000 0.281 393 L C -0.527 176.374 176.870 0.052 0.000 1.005 393 L CA -1.016 53.861 54.840 0.061 0.000 0.828 393 L CB 1.238 43.343 42.059 0.077 0.000 1.227 393 L HN 0.051 nan 8.230 nan 0.000 0.415 394 A N 7.341 130.254 122.820 0.155 0.000 2.412 394 A HA 0.760 5.080 4.320 -0.000 0.000 0.334 394 A C -2.590 175.151 177.584 0.262 0.000 1.419 394 A CA -1.273 50.940 52.037 0.292 0.000 0.930 394 A CB -0.280 18.876 19.000 0.261 0.000 1.149 394 A HN 0.544 nan 8.150 nan 0.000 0.515 395 P HA 0.332 nan 4.420 nan 0.000 0.297 395 P C -0.607 176.853 177.300 0.267 0.000 1.342 395 P CA -0.118 63.092 63.100 0.184 0.000 0.801 395 P CB 1.005 32.795 31.700 0.150 0.000 0.920 396 L N 4.910 126.221 121.223 0.146 0.000 2.281 396 L HA 0.387 4.727 4.340 -0.000 0.000 0.285 396 L C 0.337 177.321 176.870 0.191 0.000 1.074 396 L CA -0.299 54.689 54.840 0.247 0.000 0.817 396 L CB -0.150 41.972 42.059 0.106 0.000 1.168 396 L HN 0.265 nan 8.230 nan 0.000 0.434 397 F N 2.575 122.582 119.950 0.094 0.000 2.440 397 F HA 0.555 5.082 4.527 -0.000 0.000 0.328 397 F C 0.582 176.560 175.800 0.297 0.000 1.070 397 F CA -0.719 57.311 58.000 0.051 0.000 1.011 397 F CB 1.486 40.232 39.000 -0.424 0.000 1.226 397 F HN 0.434 nan 8.300 nan 0.000 0.491 398 R N 2.504 123.255 120.500 0.418 0.000 2.589 398 R HA 0.639 4.979 4.340 -0.000 0.000 0.293 398 R C -1.797 174.725 176.300 0.370 0.000 0.963 398 R CA -0.457 55.777 56.100 0.223 0.000 0.905 398 R CB 1.479 31.658 30.300 -0.202 0.000 1.144 398 R HN 0.697 nan 8.270 nan 0.000 0.459 399 F N 0.809 120.816 119.950 0.094 0.000 2.645 399 F HA 0.737 5.264 4.527 -0.000 0.000 0.310 399 F C -0.793 174.920 175.800 -0.145 0.000 1.102 399 F CA -0.486 57.527 58.000 0.021 0.000 0.952 399 F CB 1.701 40.729 39.000 0.047 0.000 1.326 399 F HN 0.512 nan 8.300 nan 0.000 0.456 400 A N 0.854 123.635 122.820 -0.065 0.000 2.026 400 A HA 0.515 4.835 4.320 -0.000 0.000 0.198 400 A C 0.364 178.025 177.584 0.128 0.000 1.390 400 A CA 0.755 52.652 52.037 -0.233 0.000 0.915 400 A CB -0.573 18.370 19.000 -0.096 0.000 0.974 400 A HN 1.109 nan 8.150 nan 0.000 0.477 401 S N -1.101 114.811 115.700 0.354 0.000 2.568 401 S HA 0.467 4.937 4.470 -0.000 0.000 0.293 401 S C 0.354 175.230 174.600 0.461 0.000 1.089 401 S CA 0.164 58.597 58.200 0.388 0.000 0.945 401 S CB 1.907 65.239 63.200 0.219 0.000 1.077 401 S HN 0.311 nan 8.310 nan 0.000 0.485 402 E N 0.832 121.297 120.200 0.442 0.000 2.085 402 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 402 E C 1.665 178.364 176.600 0.164 0.000 0.994 402 E CA 1.435 58.067 56.400 0.387 0.000 0.801 402 E CB -0.104 29.783 29.700 0.311 0.000 0.743 402 E HN 0.798 nan 8.360 nan 0.000 0.453 403 E N 0.719 120.995 120.200 0.128 0.000 2.110 403 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 403 E C 1.943 178.558 176.600 0.026 0.000 0.988 403 E CA 1.152 57.589 56.400 0.061 0.000 0.804 403 E CB -0.052 29.684 29.700 0.060 0.000 0.745 403 E HN 0.393 nan 8.360 nan 0.000 0.458 404 E N 0.285 120.518 120.200 0.055 0.000 2.072 404 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 404 E C 2.414 178.952 176.600 -0.103 0.000 0.985 404 E CA 0.817 57.230 56.400 0.022 0.000 0.801 404 E CB -0.117 29.645 29.700 0.102 0.000 0.750 404 E HN 0.217 nan 8.360 nan 0.000 0.452 405 L N 0.765 121.866 121.223 -0.203 0.000 2.012 405 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 405 L C 2.310 178.902 176.870 -0.462 0.000 1.073 405 L CA 1.417 55.897 54.840 -0.600 0.000 0.748 405 L CB -0.534 40.903 42.059 -1.036 0.000 0.891 405 L HN 0.019 nan 8.230 nan 0.000 0.431 406 V N 0.114 119.883 119.914 -0.241 0.000 2.343 406 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 406 V C 2.809 178.812 176.094 -0.153 0.000 1.051 406 V CA 2.180 64.383 62.300 -0.162 0.000 1.036 406 V CB -0.765 31.016 31.823 -0.070 0.000 0.654 406 V HN 0.567 nan 8.190 nan 0.000 0.451 407 R N -0.544 119.878 120.500 -0.130 0.000 2.073 407 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 407 R C 2.225 178.447 176.300 -0.130 0.000 1.134 407 R CA 1.646 57.688 56.100 -0.097 0.000 0.952 407 R CB -0.261 30.005 30.300 -0.056 0.000 0.850 407 R HN 0.336 nan 8.270 nan 0.000 0.433 408 L N 0.679 121.771 121.223 -0.217 0.000 2.056 408 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 408 L C 2.515 179.180 176.870 -0.342 0.000 1.078 408 L CA 2.002 56.682 54.840 -0.267 0.000 0.749 408 L CB -1.020 40.803 42.059 -0.394 0.000 0.901 408 L HN 0.304 nan 8.230 nan 0.000 0.433 409 A N -0.580 121.954 122.820 -0.478 0.000 1.933 409 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 409 A C 1.967 179.561 177.584 0.017 0.000 1.175 409 A CA 1.780 53.642 52.037 -0.291 0.000 0.628 409 A CB -0.480 18.331 19.000 -0.315 0.000 0.814 409 A HN 0.500 nan 8.150 nan 0.000 0.444 410 N N 0.031 118.715 118.700 -0.026 0.000 2.412 410 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 410 N C -0.177 175.301 175.510 -0.053 0.000 1.101 410 N CA 0.420 53.458 53.050 -0.019 0.000 0.881 410 N CB -0.116 38.343 38.487 -0.048 0.000 0.969 410 N HN 0.417 nan 8.380 nan 0.000 0.459 411 D N 0.968 121.345 120.400 -0.038 0.000 2.600 411 D HA 0.075 4.715 4.640 -0.000 0.000 0.226 411 D C -0.700 175.590 176.300 -0.016 0.000 1.119 411 D CA 0.349 54.330 54.000 -0.031 0.000 1.051 411 D CB -0.237 40.554 40.800 -0.014 0.000 1.106 411 D HN -0.077 nan 8.370 nan 0.000 0.491 412 T N -0.253 114.266 114.554 -0.059 0.000 2.977 412 T HA 0.442 4.792 4.350 -0.000 0.000 0.345 412 T C 0.750 175.325 174.700 -0.208 0.000 1.562 412 T CA 0.122 62.173 62.100 -0.082 0.000 1.090 412 T CB 0.877 69.776 68.868 0.051 0.000 1.383 412 T HN 0.050 nan 8.240 nan 0.000 0.484 413 E N 2.503 122.469 120.200 -0.391 0.000 2.208 413 E HA 0.247 4.597 4.350 -0.000 0.000 0.193 413 E C 0.311 176.632 176.600 -0.464 0.000 0.988 413 E CA 0.942 57.054 56.400 -0.481 0.000 0.828 413 E CB -0.348 28.983 29.700 -0.616 0.000 0.763 413 E HN 0.539 nan 8.360 nan 0.000 0.478 414 F N -0.819 119.082 119.950 -0.080 0.000 2.375 414 F HA 0.584 5.111 4.527 -0.000 0.000 0.313 414 F C 1.430 177.083 175.800 -0.244 0.000 1.176 414 F CA -0.252 57.692 58.000 -0.094 0.000 1.142 414 F CB 1.693 40.688 39.000 -0.008 0.000 1.275 414 F HN 0.021 nan 8.300 nan 0.000 0.544 415 G N 0.851 109.623 108.800 -0.048 0.000 5.061 415 G HA2 0.288 4.248 3.960 -0.000 0.000 0.213 415 G HA3 0.288 4.248 3.960 -0.000 0.000 0.213 415 G C -0.392 174.453 174.900 -0.092 0.000 1.463 415 G CA -0.234 44.602 45.100 -0.439 0.000 0.617 415 G HN 0.528 nan 8.290 nan 0.000 0.289 416 L N 1.124 122.417 121.223 0.118 0.000 2.140 416 L HA 0.858 5.197 4.340 -0.000 0.000 0.201 416 L C 1.405 178.299 176.870 0.040 0.000 1.191 416 L CA 1.639 56.496 54.840 0.030 0.000 0.825 416 L CB -0.488 41.563 42.059 -0.014 0.000 0.970 416 L HN 0.367 nan 8.230 nan 0.000 0.477 417 A N -1.012 121.804 122.820 -0.007 0.000 2.294 417 A HA 0.834 5.154 4.320 -0.000 0.000 0.330 417 A C -0.848 176.482 177.584 -0.423 0.000 1.133 417 A CA 0.054 51.948 52.037 -0.238 0.000 0.836 417 A CB 0.823 19.643 19.000 -0.299 0.000 1.190 417 A HN 0.672 nan 8.150 nan 0.000 0.492 418 A N -0.011 122.361 122.820 -0.748 0.000 2.556 418 A HA 0.800 5.120 4.320 -0.000 0.000 0.294 418 A C -1.596 175.444 177.584 -0.908 0.000 1.091 418 A CA -0.443 51.095 52.037 -0.830 0.000 0.704 418 A CB 0.940 19.333 19.000 -1.012 0.000 1.300 418 A HN 0.877 nan 8.150 nan 0.000 0.406 419 Y N -0.536 119.584 120.300 -0.299 0.000 2.545 419 Y HA 0.750 5.300 4.550 -0.000 0.000 0.348 419 Y C -0.643 175.020 175.900 -0.394 0.000 1.002 419 Y CA -0.979 56.919 58.100 -0.336 0.000 1.039 419 Y CB 2.462 40.705 38.460 -0.363 0.000 1.271 419 Y HN 0.643 nan 8.280 nan 0.000 0.467 420 L N 2.435 123.522 121.223 -0.227 0.000 2.596 420 L HA 0.479 4.819 4.340 -0.000 0.000 0.265 420 L C -2.380 174.399 176.870 -0.151 0.000 0.962 420 L CA -0.676 54.081 54.840 -0.138 0.000 0.891 420 L CB 0.850 42.842 42.059 -0.112 0.000 1.248 420 L HN 0.596 nan 8.230 nan 0.000 0.410 421 Y N 3.658 123.921 120.300 -0.062 0.000 2.369 421 Y HA 0.751 5.301 4.550 -0.000 0.000 0.337 421 Y C 0.429 176.420 175.900 0.151 0.000 0.961 421 Y CA 0.086 58.206 58.100 0.034 0.000 1.186 421 Y CB 1.888 40.379 38.460 0.051 0.000 1.139 421 Y HN 0.689 nan 8.280 nan 0.000 0.494 422 S N 2.614 118.412 115.700 0.163 0.000 2.567 422 S HA 0.485 4.955 4.470 -0.000 0.000 0.270 422 S C -0.148 174.473 174.600 0.034 0.000 1.152 422 S CA -0.867 57.401 58.200 0.112 0.000 0.835 422 S CB 1.248 64.435 63.200 -0.022 0.000 1.115 422 S HN 0.654 nan 8.310 nan 0.000 0.459 423 R N 1.047 121.563 120.500 0.026 0.000 2.307 423 R HA 0.224 4.564 4.340 -0.000 0.000 0.200 423 R C -0.356 175.940 176.300 -0.006 0.000 0.893 423 R CA 0.042 56.153 56.100 0.018 0.000 1.042 423 R CB -0.800 29.523 30.300 0.039 0.000 1.059 423 R HN 0.704 nan 8.270 nan 0.000 0.530 424 D N 1.753 122.131 120.400 -0.036 0.000 2.358 424 D HA -0.012 4.628 4.640 -0.000 0.000 0.258 424 D C 1.405 177.688 176.300 -0.028 0.000 1.223 424 D CA -0.015 53.959 54.000 -0.044 0.000 0.886 424 D CB 0.542 41.293 40.800 -0.081 0.000 1.120 424 D HN -0.142 nan 8.370 nan 0.000 0.482 425 I N 4.022 124.595 120.570 0.005 0.000 2.264 425 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 425 I C 1.729 177.898 176.117 0.087 0.000 1.111 425 I CA 1.400 62.735 61.300 0.058 0.000 1.382 425 I CB -0.681 37.342 38.000 0.038 0.000 1.060 425 I HN 0.634 nan 8.210 nan 0.000 0.418 426 G N 0.268 109.078 108.800 0.018 0.000 2.402 426 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 426 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 426 G C 1.841 176.755 174.900 0.022 0.000 1.162 426 G CA 0.696 45.804 45.100 0.014 0.000 0.777 426 G HN 0.329 nan 8.290 nan 0.000 0.539 427 R N -0.076 120.390 120.500 -0.056 0.000 2.070 427 R HA -0.047 4.293 4.340 -0.000 0.000 0.233 427 R C 2.631 178.866 176.300 -0.108 0.000 1.137 427 R CA 1.604 57.613 56.100 -0.152 0.000 0.945 427 R CB -0.677 29.420 30.300 -0.338 0.000 0.845 427 R HN 0.157 nan 8.270 nan 0.000 0.430 428 V N -0.108 119.762 119.914 -0.074 0.000 2.317 428 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 428 V C 1.849 177.917 176.094 -0.043 0.000 1.065 428 V CA 2.166 64.430 62.300 -0.059 0.000 1.049 428 V CB -0.551 31.251 31.823 -0.034 0.000 0.651 428 V HN 0.495 nan 8.190 nan 0.000 0.450 429 W N -0.026 121.224 121.300 -0.084 0.000 2.441 429 W HA -0.016 4.644 4.660 -0.000 0.000 0.302 429 W C 2.788 179.272 176.519 -0.059 0.000 1.191 429 W CA 1.203 58.509 57.345 -0.064 0.000 1.327 429 W CB -0.291 29.137 29.460 -0.054 0.000 1.128 429 W HN 0.029 nan 8.180 nan 0.000 0.522 430 R N -0.439 120.159 120.500 0.163 0.000 2.091 430 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 430 R C 1.831 178.147 176.300 0.026 0.000 1.136 430 R CA 1.873 58.023 56.100 0.082 0.000 0.959 430 R CB -1.114 29.210 30.300 0.039 0.000 0.856 430 R HN 0.124 nan 8.270 nan 0.000 0.437 431 V N 0.772 120.682 119.914 -0.008 0.000 2.379 431 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 431 V C 2.440 178.498 176.094 -0.060 0.000 1.044 431 V CA 1.747 64.036 62.300 -0.018 0.000 1.036 431 V CB -0.650 31.184 31.823 0.018 0.000 0.664 431 V HN 0.378 nan 8.190 nan 0.000 0.453 432 A N -0.245 122.507 122.820 -0.114 0.000 1.940 432 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 432 A C 2.177 179.669 177.584 -0.154 0.000 1.176 432 A CA 1.999 53.922 52.037 -0.191 0.000 0.631 432 A CB -0.420 18.372 19.000 -0.347 0.000 0.814 432 A HN 0.641 nan 8.150 nan 0.000 0.446 433 E N -0.573 119.570 120.200 -0.095 0.000 2.107 433 E HA -0.023 4.327 4.350 -0.000 0.000 0.191 433 E C 2.266 178.852 176.600 -0.024 0.000 0.982 433 E CA 0.794 57.168 56.400 -0.042 0.000 0.809 433 E CB -0.217 29.511 29.700 0.046 0.000 0.756 433 E HN 0.619 nan 8.360 nan 0.000 0.459 434 A N 1.300 124.110 122.820 -0.017 0.000 2.014 434 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 434 A C 1.302 178.881 177.584 -0.008 0.000 1.163 434 A CA 0.239 52.268 52.037 -0.013 0.000 0.652 434 A CB -0.360 18.634 19.000 -0.010 0.000 0.808 434 A HN 0.084 nan 8.150 nan 0.000 0.449 435 L N 1.492 122.717 121.223 0.003 0.000 2.500 435 L HA 0.037 4.377 4.340 -0.000 0.000 0.272 435 L C 0.052 176.997 176.870 0.126 0.000 1.149 435 L CA -0.066 54.833 54.840 0.097 0.000 0.897 435 L CB 0.346 42.441 42.059 0.059 0.000 1.178 435 L HN 0.340 nan 8.230 nan 0.000 0.473 436 E N 4.546 124.782 120.200 0.060 0.000 1.972 436 E HA 0.174 4.524 4.350 -0.000 0.000 0.292 436 E C -1.368 174.984 176.600 -0.414 0.000 1.193 436 E CA 0.032 56.339 56.400 -0.155 0.000 1.228 436 E CB 0.075 29.639 29.700 -0.227 0.000 1.167 436 E HN 0.351 nan 8.360 nan 0.000 0.479 437 Y N -1.502 118.728 120.300 -0.117 0.000 2.534 437 Y HA 0.301 4.851 4.550 -0.000 0.000 0.345 437 Y C 1.302 177.105 175.900 -0.162 0.000 1.031 437 Y CA -1.082 56.937 58.100 -0.136 0.000 1.022 437 Y CB 1.733 40.096 38.460 -0.162 0.000 1.292 437 Y HN 0.257 nan 8.280 nan 0.000 0.459 438 G N 1.294 110.068 108.800 -0.045 0.000 2.448 438 G HA2 0.021 3.981 3.960 -0.000 0.000 0.218 438 G HA3 0.021 3.981 3.960 -0.000 0.000 0.218 438 G C 0.083 174.889 174.900 -0.157 0.000 1.135 438 G CA 0.596 45.622 45.100 -0.124 0.000 0.784 438 G HN 0.438 nan 8.290 nan 0.000 0.543 439 M N 0.081 119.580 119.600 -0.169 0.000 2.324 439 M HA 0.455 4.935 4.480 -0.000 0.000 0.288 439 M C -1.709 174.422 176.300 -0.282 0.000 1.097 439 M CA -0.476 54.688 55.300 -0.227 0.000 0.928 439 M CB 3.551 35.978 32.600 -0.289 0.000 1.648 439 M HN -0.263 nan 8.290 nan 0.000 0.460 440 V N 1.831 121.579 119.914 -0.277 0.000 2.407 440 V HA 0.699 4.819 4.120 -0.000 0.000 0.291 440 V C 0.300 176.210 176.094 -0.306 0.000 1.018 440 V CA -0.752 61.348 62.300 -0.335 0.000 0.842 440 V CB 1.715 33.373 31.823 -0.274 0.000 0.996 440 V HN 0.998 nan 8.190 nan 0.000 0.426 441 G N 4.645 113.225 108.800 -0.366 0.000 2.372 441 G HA2 0.667 4.627 3.960 -0.000 0.000 0.283 441 G HA3 0.667 4.627 3.960 -0.000 0.000 0.283 441 G C -0.688 174.090 174.900 -0.203 0.000 1.177 441 G CA -0.345 44.645 45.100 -0.185 0.000 0.842 441 G HN 0.643 nan 8.290 nan 0.000 0.503 442 I N 2.185 122.630 120.570 -0.209 0.000 2.420 442 I HA 0.192 4.362 4.170 -0.000 0.000 0.282 442 I C -0.149 175.749 176.117 -0.365 0.000 1.019 442 I CA -0.769 60.366 61.300 -0.276 0.000 1.130 442 I CB 1.510 39.378 38.000 -0.221 0.000 1.262 442 I HN 0.497 nan 8.210 nan 0.000 0.454 443 N N 2.301 120.564 118.700 -0.729 0.000 2.725 443 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 443 N C -0.210 174.929 175.510 -0.617 0.000 1.103 443 N CA 1.261 53.640 53.050 -1.119 0.000 0.707 443 N CB -0.784 37.434 38.487 -0.448 0.000 1.043 443 N HN 0.724 nan 8.380 nan 0.000 0.553 444 T N -2.557 111.765 114.554 -0.386 0.000 2.932 444 T HA 0.588 4.938 4.350 -0.000 0.000 0.318 444 T C 0.729 175.594 174.700 0.275 0.000 1.265 444 T CA 0.133 62.276 62.100 0.072 0.000 1.036 444 T CB 1.506 70.403 68.868 0.049 0.000 1.209 444 T HN 0.093 nan 8.240 nan 0.000 0.484 445 G N 2.274 111.277 108.800 0.338 0.000 3.324 445 G HA2 0.449 4.409 3.960 -0.000 0.000 0.251 445 G HA3 0.449 4.409 3.960 -0.000 0.000 0.251 445 G C -0.205 174.807 174.900 0.185 0.000 1.072 445 G CA -0.075 45.179 45.100 0.257 0.000 0.787 445 G HN 0.566 nan 8.290 nan 0.000 0.537 446 L N 1.036 122.391 121.223 0.220 0.000 2.409 446 L HA 0.521 4.861 4.340 -0.000 0.000 0.272 446 L C 0.557 177.524 176.870 0.162 0.000 0.980 446 L CA -0.776 54.167 54.840 0.173 0.000 0.826 446 L CB 2.112 44.232 42.059 0.101 0.000 1.268 446 L HN 0.213 nan 8.230 nan 0.000 0.407 447 I N -2.695 117.973 120.570 0.164 0.000 4.774 447 I HA 0.237 4.407 4.170 -0.000 0.000 0.330 447 I C 0.311 176.501 176.117 0.123 0.000 1.287 447 I CA -0.056 61.317 61.300 0.121 0.000 1.311 447 I CB 1.039 39.097 38.000 0.096 0.000 1.315 447 I HN 0.336 nan 8.210 nan 0.000 0.459 448 S N 3.841 119.619 115.700 0.130 0.000 2.481 448 S HA 0.320 4.790 4.470 -0.000 0.000 0.282 448 S C -0.271 174.365 174.600 0.060 0.000 1.243 448 S CA -0.203 58.066 58.200 0.115 0.000 1.078 448 S CB -0.196 62.972 63.200 -0.053 0.000 0.916 448 S HN 0.752 nan 8.310 nan 0.000 0.495 449 N N 0.850 119.599 118.700 0.082 0.000 3.204 449 N HA 0.320 5.060 4.740 -0.000 0.000 0.285 449 N C 0.279 175.626 175.510 -0.271 0.000 1.536 449 N CA -0.973 52.060 53.050 -0.028 0.000 0.832 449 N CB 0.530 38.953 38.487 -0.106 0.000 1.645 449 N HN 0.315 nan 8.380 nan 0.000 0.586 450 E N -0.196 119.614 120.200 -0.650 0.000 2.385 450 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 450 E C 1.158 176.975 176.600 -1.306 0.000 1.013 450 E CA 1.035 56.663 56.400 -1.286 0.000 0.866 450 E CB -0.174 28.601 29.700 -1.542 0.000 0.832 450 E HN 0.497 nan 8.360 nan 0.000 0.500 451 V N -0.691 118.627 119.914 -0.993 0.000 3.354 451 V HA 0.440 4.560 4.120 -0.000 0.000 0.258 451 V C 1.006 176.873 176.094 -0.379 0.000 1.159 451 V CA 0.370 62.062 62.300 -1.012 0.000 1.125 451 V CB -0.164 31.216 31.823 -0.737 0.000 0.774 451 V HN 0.271 nan 8.190 nan 0.000 0.464 452 A N 2.443 125.131 122.820 -0.220 0.000 2.301 452 A HA 0.772 5.092 4.320 -0.000 0.000 0.312 452 A C -2.577 175.059 177.584 0.088 0.000 1.182 452 A CA -1.902 50.125 52.037 -0.017 0.000 0.826 452 A CB 0.233 19.238 19.000 0.009 0.000 1.134 452 A HN 0.402 nan 8.150 nan 0.000 0.501 453 P HA 0.158 nan 4.420 nan 0.000 0.266 453 P C -1.114 176.268 177.300 0.136 0.000 1.215 453 P CA 0.516 63.704 63.100 0.147 0.000 0.763 453 P CB 0.127 31.843 31.700 0.027 0.000 0.806 454 F N 3.875 123.849 119.950 0.039 0.000 2.477 454 F HA 0.678 5.205 4.527 -0.000 0.000 0.335 454 F C 0.232 176.039 175.800 0.012 0.000 1.130 454 F CA 0.410 58.427 58.000 0.028 0.000 0.948 454 F CB 1.657 40.703 39.000 0.077 0.000 1.154 454 F HN 0.611 nan 8.300 nan 0.000 0.439 455 G N 2.626 111.202 108.800 -0.373 0.000 2.324 455 G HA2 0.454 4.413 3.960 -0.000 0.000 0.293 455 G HA3 0.454 4.413 3.960 -0.000 0.000 0.293 455 G C -1.529 173.225 174.900 -0.243 0.000 1.297 455 G CA -0.207 44.761 45.100 -0.219 0.000 0.853 455 G HN 0.996 nan 8.290 nan 0.000 0.535 456 G N -1.768 106.946 108.800 -0.143 0.000 2.788 456 G HA2 0.957 4.917 3.960 -0.000 0.000 0.293 456 G HA3 0.957 4.917 3.960 -0.000 0.000 0.293 456 G C -0.204 174.639 174.900 -0.095 0.000 1.305 456 G CA 0.207 45.236 45.100 -0.118 0.000 1.005 456 G HN 1.879 nan 8.290 nan 0.000 0.496 457 V N -2.882 116.969 119.914 -0.105 0.000 3.166 457 V HA 0.835 4.954 4.120 -0.000 0.000 0.317 457 V C 0.701 176.735 176.094 -0.100 0.000 1.136 457 V CA -0.465 61.770 62.300 -0.108 0.000 1.035 457 V CB 1.013 32.754 31.823 -0.136 0.000 1.110 457 V HN 1.084 nan 8.190 nan 0.000 0.450 458 K N -0.725 119.617 120.400 -0.098 0.000 1.867 458 K HA -0.247 4.073 4.320 -0.000 0.000 0.140 458 K C 1.086 177.653 176.600 -0.054 0.000 1.408 458 K CA 1.928 58.157 56.287 -0.096 0.000 0.461 458 K CB -1.176 31.236 32.500 -0.147 0.000 0.594 458 K HN 0.834 nan 8.250 nan 0.000 0.888 459 Q N 0.569 120.338 119.800 -0.051 0.000 2.466 459 Q HA 0.077 4.416 4.340 -0.000 0.000 0.210 459 Q C 1.115 177.212 176.000 0.161 0.000 0.961 459 Q CA 0.776 56.596 55.803 0.028 0.000 0.953 459 Q CB 0.461 29.159 28.738 -0.067 0.000 1.011 459 Q HN 0.355 nan 8.270 nan 0.000 0.516 460 S N -0.288 115.475 115.700 0.104 0.000 2.558 460 S HA 0.277 4.746 4.470 -0.000 0.000 0.217 460 S C 0.848 175.479 174.600 0.051 0.000 0.975 460 S CA 0.499 58.758 58.200 0.098 0.000 0.912 460 S CB 0.454 63.678 63.200 0.039 0.000 0.776 460 S HN 0.648 nan 8.310 nan 0.000 0.526 461 G N 0.441 109.265 108.800 0.040 0.000 2.298 461 G HA2 0.071 4.031 3.960 -0.000 0.000 0.309 461 G HA3 0.071 4.031 3.960 -0.000 0.000 0.309 461 G C -1.934 172.971 174.900 0.009 0.000 1.279 461 G CA -1.061 44.063 45.100 0.039 0.000 1.042 461 G HN 0.224 nan 8.290 nan 0.000 0.480 462 L N 0.312 121.543 121.223 0.013 0.000 2.422 462 L HA 0.741 5.081 4.340 -0.000 0.000 0.264 462 L C 0.779 177.647 176.870 -0.003 0.000 0.984 462 L CA 0.074 54.911 54.840 -0.004 0.000 0.819 462 L CB 1.951 44.008 42.059 -0.003 0.000 1.330 462 L HN 2.597 nan 8.230 nan 0.000 0.410 463 G N 1.677 110.467 108.800 -0.016 0.000 2.795 463 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.664 463 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.664 463 G C -1.337 173.572 174.900 0.016 0.000 1.381 463 G CA -0.893 44.205 45.100 -0.003 0.000 0.853 463 G HN 0.483 nan 8.290 nan 0.000 0.545 464 R N 0.394 120.929 120.500 0.058 0.000 2.686 464 R HA 0.553 4.893 4.340 -0.000 0.000 0.283 464 R C -0.286 176.146 176.300 0.220 0.000 0.978 464 R CA -0.702 55.462 56.100 0.108 0.000 0.897 464 R CB 1.863 32.190 30.300 0.045 0.000 1.192 464 R HN 0.750 nan 8.270 nan 0.000 0.457 465 E N 0.169 120.543 120.200 0.291 0.000 2.207 465 E HA 0.603 4.952 4.350 -0.000 0.000 0.270 465 E C -0.055 176.819 176.600 0.456 0.000 0.927 465 E CA -0.568 56.051 56.400 0.365 0.000 0.799 465 E CB 1.962 31.813 29.700 0.253 0.000 1.172 465 E HN 0.764 nan 8.360 nan 0.000 0.404 466 G N 1.851 111.039 108.800 0.647 0.000 2.828 466 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.463 466 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.463 466 G C 0.021 175.097 174.900 0.293 0.000 1.394 466 G CA -0.212 45.134 45.100 0.410 0.000 0.862 466 G HN 1.542 nan 8.290 nan 0.000 0.540 467 S N -2.799 112.900 115.700 -0.002 0.000 3.513 467 S HA -0.239 4.231 4.470 -0.000 0.000 0.636 467 S C 1.017 175.961 174.600 0.574 0.000 2.452 467 S CA 1.975 60.331 58.200 0.262 0.000 2.644 467 S CB -1.147 62.184 63.200 0.219 0.000 0.331 467 S HN 2.829 nan 8.310 nan 0.000 1.787 468 H N -0.496 118.774 119.070 0.333 0.000 2.524 468 H HA 0.248 4.804 4.556 -0.000 0.000 0.282 468 H C 1.506 176.887 175.328 0.088 0.000 1.016 468 H CA 1.335 57.462 56.048 0.132 0.000 1.270 468 H CB -0.542 29.175 29.762 -0.075 0.000 1.394 468 H HN 0.578 nan 8.280 nan 0.000 0.568 469 Y N 1.004 121.227 120.300 -0.129 0.000 2.516 469 Y HA 0.153 4.703 4.550 -0.000 0.000 0.291 469 Y C 2.653 178.661 175.900 0.179 0.000 1.131 469 Y CA 0.636 58.720 58.100 -0.027 0.000 1.281 469 Y CB -0.117 38.276 38.460 -0.111 0.000 1.013 469 Y HN 0.477 nan 8.280 nan 0.000 0.554 470 G N -0.139 108.956 108.800 0.491 0.000 2.443 470 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 470 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 470 G C 1.565 176.726 174.900 0.435 0.000 1.131 470 G CA 0.701 46.144 45.100 0.570 0.000 0.775 470 G HN 0.496 nan 8.290 nan 0.000 0.547 471 I N -0.081 120.750 120.570 0.435 0.000 3.419 471 I HA 0.075 4.245 4.170 -0.000 0.000 0.286 471 I C 1.470 177.755 176.117 0.280 0.000 1.268 471 I CA 0.342 61.826 61.300 0.308 0.000 1.414 471 I CB 0.195 38.367 38.000 0.287 0.000 1.074 471 I HN -0.073 nan 8.210 nan 0.000 0.457 472 D N 1.169 121.710 120.400 0.236 0.000 2.178 472 D HA -0.171 4.468 4.640 -0.000 0.000 0.201 472 D C 1.397 177.756 176.300 0.098 0.000 0.980 472 D CA 1.188 55.287 54.000 0.165 0.000 0.842 472 D CB -0.146 40.760 40.800 0.175 0.000 0.948 472 D HN 0.390 nan 8.370 nan 0.000 0.472 473 D N -0.796 119.624 120.400 0.034 0.000 2.355 473 D HA -0.067 4.573 4.640 -0.000 0.000 0.218 473 D C 0.977 177.107 176.300 -0.283 0.000 1.004 473 D CA 0.320 54.233 54.000 -0.146 0.000 0.880 473 D CB 0.049 40.701 40.800 -0.246 0.000 0.911 473 D HN 0.372 nan 8.370 nan 0.000 0.528 474 Y N 0.297 120.610 120.300 0.021 0.000 2.457 474 Y HA 0.086 4.636 4.550 -0.000 0.000 0.263 474 Y C 0.947 176.867 175.900 0.032 0.000 1.164 474 Y CA -0.346 57.757 58.100 0.006 0.000 1.274 474 Y CB 0.574 39.022 38.460 -0.020 0.000 1.097 474 Y HN -0.216 nan 8.280 nan 0.000 0.523 475 V N -2.694 117.310 119.914 0.151 0.000 2.864 475 V HA 0.770 4.890 4.120 -0.000 0.000 0.314 475 V C -0.683 175.467 176.094 0.093 0.000 1.073 475 V CA -1.257 61.121 62.300 0.130 0.000 0.956 475 V CB 2.000 33.899 31.823 0.127 0.000 1.023 475 V HN -0.290 nan 8.190 nan 0.000 0.435 476 V N 3.989 123.962 119.914 0.099 0.000 2.715 476 V HA 0.604 4.724 4.120 -0.000 0.000 0.310 476 V C -0.171 175.974 176.094 0.084 0.000 1.054 476 V CA -0.686 61.664 62.300 0.083 0.000 0.928 476 V CB 1.882 33.759 31.823 0.089 0.000 1.007 476 V HN 1.054 nan 8.190 nan 0.000 0.437 477 I N 3.059 123.674 120.570 0.076 0.000 2.498 477 I HA 0.639 4.809 4.170 -0.000 0.000 0.301 477 I C -0.712 175.457 176.117 0.087 0.000 0.984 477 I CA -0.537 60.810 61.300 0.079 0.000 1.204 477 I CB 1.396 39.441 38.000 0.075 0.000 1.362 477 I HN 0.677 nan 8.210 nan 0.000 0.471 478 K N 6.001 126.456 120.400 0.092 0.000 2.502 478 K HA 0.263 4.583 4.320 -0.000 0.000 0.254 478 K C -1.822 174.859 176.600 0.136 0.000 0.947 478 K CA -0.677 55.665 56.287 0.092 0.000 0.834 478 K CB 1.341 33.874 32.500 0.055 0.000 1.112 478 K HN 0.674 nan 8.250 nan 0.000 0.427 479 Y N 5.806 126.117 120.300 0.018 0.000 2.327 479 Y HA 0.392 4.942 4.550 -0.000 0.000 0.336 479 Y C -1.534 174.372 175.900 0.011 0.000 1.035 479 Y CA -0.809 57.300 58.100 0.014 0.000 1.165 479 Y CB 0.606 39.075 38.460 0.014 0.000 1.181 479 Y HN 0.465 nan 8.280 nan 0.000 0.494 480 L N 7.429 128.549 121.223 -0.171 0.000 2.325 480 L HA 0.408 4.748 4.340 -0.000 0.000 0.281 480 L C -0.834 175.828 176.870 -0.347 0.000 1.004 480 L CA -0.755 53.902 54.840 -0.305 0.000 0.823 480 L CB 1.580 43.582 42.059 -0.094 0.000 1.236 480 L HN 0.763 nan 8.230 nan 0.000 0.415 481 C N 5.080 124.109 119.300 -0.450 0.000 2.225 481 C HA 0.607 5.067 4.460 -0.000 0.000 0.323 481 C C 0.108 175.039 174.990 -0.097 0.000 1.164 481 C CA -0.463 58.424 59.018 -0.217 0.000 1.565 481 C CB -0.013 27.580 27.740 -0.245 0.000 2.124 481 C HN 0.557 nan 8.230 nan 0.000 0.461 482 V N 6.831 126.726 119.914 -0.032 0.000 2.350 482 V HA 0.546 4.666 4.120 -0.000 0.000 0.276 482 V C 0.901 176.991 176.094 -0.007 0.000 1.028 482 V CA -0.318 61.968 62.300 -0.024 0.000 0.860 482 V CB 0.945 32.760 31.823 -0.014 0.000 0.990 482 V HN 1.032 nan 8.190 nan 0.000 0.453 483 A N 5.286 128.098 122.820 -0.013 0.000 2.425 483 A HA 0.675 4.995 4.320 -0.000 0.000 0.249 483 A C -0.112 177.470 177.584 -0.003 0.000 1.084 483 A CA -0.026 52.008 52.037 -0.005 0.000 0.781 483 A CB 0.557 19.552 19.000 -0.008 0.000 1.019 483 A HN 0.699 nan 8.150 nan 0.000 0.490 484 V N 0.000 119.915 119.914 0.001 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.300 62.300 0.001 0.000 1.235 484 V CB 0.000 31.825 31.823 0.003 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556