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 2dey_1_X DATA FIRST_RESID 4 DATA SEQUENCE GTLIRVTPEQ PTHAVCVLGT LTQLDICSSA PXXCTSFSIN ASPGVVVDIX DATA SEQUENCE XXXXXXXXXX XXXTWPLDPG VEVTLTMKAA SGSTGDQKVQ ISYYGPKTPP DATA SEQUENCE VKALLYLTAV EISLCADITR TGKXXXXXXX XXQRTWTWGP CGQGAILLVN DATA SEQUENCE CDRDNLESSA MDCEDDEVLD SEDLQDMSLM TLSTKTPKDF FTNHTLVLHV DATA SEQUENCE ARSEMDKVRV FQATXXXXXX XCSVVLGPKW PSHYLMVPGG KHNMDFYVEA DATA SEQUENCE LAFPDTDFPG LITLTISLLD TSNLELPEAV VFQDSVVFRV APWIMTPNTQ DATA SEQUENCE PPQEVYACSI FENEDFLKSV TTLAMKAKCK LTICPEEENM DDQWMQDEME DATA SEQUENCE IGYIQAPHKT LPVVFDSPRN RGLKEFPIKR VMGPDFGYVT RGPQTGGISG DATA SEQUENCE LDSFGNLEVS PPVTVRGKEY PLGRILFGDS CYPSNDSRQM HQALQDFLSA DATA SEQUENCE QQVQAPVKLY SDWLSVGHVD EFLSFVPAPD RKGFRLLLAS PRSCYKLFQE DATA SEQUENCE QQNEGHGEAL LFEGIKKKKQ QKIKNILSNK TLREHNSFVE RCIDWNRELL DATA SEQUENCE KRELGLAESD IIDIPQLFKL KEFSKAEAFF PNMVNMLVLG KHLGIPKPFG DATA SEQUENCE PVINGRCCLE EKVCSLLEPL GLQCTFINDF FTYHIRHGEV HAGTNVRRKP DATA SEQUENCE FSFKWWNMVP 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 4 G C 0.000 174.931 174.900 0.051 0.000 0.946 4 G CA 0.000 45.128 45.100 0.047 0.000 0.502 5 T N 1.758 116.339 114.554 0.045 0.000 2.921 5 T HA 0.549 4.898 4.350 -0.000 0.000 0.297 5 T C -0.993 173.721 174.700 0.024 0.000 1.013 5 T CA -0.572 61.553 62.100 0.042 0.000 0.990 5 T CB 2.050 70.952 68.868 0.057 0.000 1.023 5 T HN 0.506 nan 8.240 nan 0.000 0.447 6 L N 3.934 125.169 121.223 0.020 0.000 2.265 6 L HA 0.598 4.938 4.340 -0.000 0.000 0.289 6 L C -0.887 175.989 176.870 0.010 0.000 1.033 6 L CA -0.510 54.335 54.840 0.007 0.000 0.814 6 L CB 0.349 42.410 42.059 0.004 0.000 1.203 6 L HN 0.627 nan 8.230 nan 0.000 0.423 7 I N 5.275 125.846 120.570 0.002 0.000 2.353 7 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 7 I C 0.143 176.256 176.117 -0.007 0.000 0.992 7 I CA -0.630 60.673 61.300 0.005 0.000 1.268 7 I CB 0.885 38.887 38.000 0.003 0.000 1.387 7 I HN 0.445 nan 8.210 nan 0.000 0.478 8 R N 5.724 126.226 120.500 0.003 0.000 2.255 8 R HA 0.484 4.824 4.340 -0.000 0.000 0.326 8 R C -0.649 175.655 176.300 0.006 0.000 0.986 8 R CA -0.599 55.500 56.100 -0.001 0.000 0.847 8 R CB 1.846 32.148 30.300 0.003 0.000 1.111 8 R HN 0.533 nan 8.270 nan 0.000 0.452 9 V N -0.237 119.679 119.914 0.003 0.000 2.713 9 V HA 0.766 4.886 4.120 -0.000 0.000 0.307 9 V C -0.118 176.011 176.094 0.057 0.000 1.052 9 V CA -0.548 61.764 62.300 0.020 0.000 0.967 9 V CB 1.960 33.779 31.823 -0.007 0.000 1.019 9 V HN 0.863 nan 8.190 nan 0.000 0.459 10 T N 0.992 115.590 114.554 0.073 0.000 3.071 10 T HA 0.517 4.867 4.350 -0.000 0.000 0.311 10 T C -2.183 172.578 174.700 0.102 0.000 1.042 10 T CA -1.170 60.973 62.100 0.071 0.000 1.028 10 T CB 1.797 70.689 68.868 0.040 0.000 1.068 10 T HN 0.505 nan 8.240 nan 0.000 0.451 11 P HA -0.141 nan 4.420 nan 0.000 0.218 11 P C 1.330 178.672 177.300 0.069 0.000 1.149 11 P CA 1.075 64.250 63.100 0.125 0.000 0.817 11 P CB 0.254 32.025 31.700 0.118 0.000 0.785 12 E N -0.423 119.801 120.200 0.040 0.000 2.070 12 E HA -0.164 4.185 4.350 -0.000 0.000 0.197 12 E C 0.694 177.323 176.600 0.048 0.000 1.004 12 E CA 0.892 57.312 56.400 0.034 0.000 0.805 12 E CB -0.417 29.294 29.700 0.018 0.000 0.744 12 E HN 0.217 nan 8.360 nan 0.000 0.451 13 Q N 0.562 120.396 119.800 0.057 0.000 2.372 13 Q HA 0.356 4.696 4.340 -0.000 0.000 0.273 13 Q C -2.590 173.461 176.000 0.085 0.000 1.078 13 Q CA -2.593 53.253 55.803 0.072 0.000 0.806 13 Q CB 2.268 31.047 28.738 0.069 0.000 1.332 13 Q HN 0.071 nan 8.270 nan 0.000 0.435 14 P HA 0.088 nan 4.420 nan 0.000 0.269 14 P C -0.637 176.727 177.300 0.107 0.000 1.209 14 P CA -0.011 63.158 63.100 0.114 0.000 0.776 14 P CB 0.649 32.478 31.700 0.215 0.000 0.876 15 T N 2.426 116.999 114.554 0.032 0.000 2.824 15 T HA 0.402 4.752 4.350 -0.000 0.000 0.280 15 T C -0.457 174.212 174.700 -0.052 0.000 0.995 15 T CA -0.340 61.795 62.100 0.058 0.000 1.009 15 T CB 0.416 69.309 68.868 0.041 0.000 0.955 15 T HN 0.384 nan 8.240 nan 0.000 0.452 16 H N 0.507 119.654 119.070 0.127 0.000 2.469 16 H HA 0.768 5.324 4.556 -0.000 0.000 0.342 16 H C -0.290 175.099 175.328 0.101 0.000 1.115 16 H CA -0.469 55.658 56.048 0.132 0.000 1.204 16 H CB 1.567 31.379 29.762 0.083 0.000 1.492 16 H HN 0.909 nan 8.280 nan 0.000 0.499 17 A N 2.052 124.991 122.820 0.197 0.000 2.589 17 A HA 0.550 4.869 4.320 -0.000 0.000 0.296 17 A C -1.376 176.282 177.584 0.123 0.000 1.062 17 A CA -0.663 51.459 52.037 0.142 0.000 0.686 17 A CB 0.962 20.016 19.000 0.089 0.000 1.282 17 A HN 0.456 nan 8.150 nan 0.000 0.404 18 V N 0.081 120.065 119.914 0.116 0.000 2.567 18 V HA 0.473 4.593 4.120 -0.000 0.000 0.289 18 V C -0.222 175.878 176.094 0.009 0.000 1.049 18 V CA -0.392 61.946 62.300 0.063 0.000 0.969 18 V CB 1.267 33.133 31.823 0.071 0.000 0.995 18 V HN 0.956 nan 8.190 nan 0.000 0.471 19 C N 4.254 123.523 119.300 -0.051 0.000 2.344 19 C HA 0.495 4.954 4.460 -0.000 0.000 0.326 19 C C 0.081 174.975 174.990 -0.159 0.000 1.201 19 C CA -0.859 58.114 59.018 -0.076 0.000 1.410 19 C CB 0.799 28.506 27.740 -0.055 0.000 2.070 19 C HN 0.646 nan 8.230 nan 0.000 0.445 20 V N 5.412 125.192 119.914 -0.224 0.000 2.488 20 V HA 0.190 4.310 4.120 -0.000 0.000 0.277 20 V C 0.475 176.417 176.094 -0.253 0.000 1.046 20 V CA -0.132 61.934 62.300 -0.391 0.000 0.986 20 V CB 0.697 31.995 31.823 -0.875 0.000 0.989 20 V HN 0.677 nan 8.190 nan 0.000 0.475 21 L N 4.435 125.528 121.223 -0.215 0.000 2.453 21 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 21 L C 1.354 178.175 176.870 -0.081 0.000 1.182 21 L CA 0.895 55.660 54.840 -0.124 0.000 0.858 21 L CB 0.115 42.108 42.059 -0.109 0.000 1.120 21 L HN 1.008 nan 8.230 nan 0.000 0.474 22 G N 1.745 110.522 108.800 -0.038 0.000 2.132 22 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.228 22 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.228 22 G C 0.132 175.053 174.900 0.035 0.000 1.000 22 G CA 0.014 45.115 45.100 0.001 0.000 0.693 22 G HN 0.600 nan 8.290 nan 0.000 0.515 23 T N 0.382 114.950 114.554 0.023 0.000 2.908 23 T HA 0.636 4.986 4.350 -0.000 0.000 0.290 23 T C -0.330 174.388 174.700 0.030 0.000 1.034 23 T CA -0.615 61.521 62.100 0.059 0.000 1.010 23 T CB 1.852 70.769 68.868 0.081 0.000 1.068 23 T HN 0.344 nan 8.240 nan 0.000 0.481 24 L N 3.747 124.993 121.223 0.038 0.000 2.260 24 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 24 L C -0.636 176.246 176.870 0.020 0.000 1.057 24 L CA -0.069 54.783 54.840 0.020 0.000 0.811 24 L CB 0.491 42.561 42.059 0.019 0.000 1.184 24 L HN 0.717 nan 8.230 nan 0.000 0.429 25 T N 4.789 119.346 114.554 0.005 0.000 2.807 25 T HA 0.585 4.935 4.350 -0.000 0.000 0.279 25 T C -0.397 174.295 174.700 -0.012 0.000 0.993 25 T CA -0.515 61.586 62.100 0.001 0.000 0.970 25 T CB 2.229 71.095 68.868 -0.004 0.000 0.950 25 T HN 0.583 nan 8.240 nan 0.000 0.441 26 Q N 1.154 120.946 119.800 -0.013 0.000 2.458 26 Q HA 0.678 5.018 4.340 -0.000 0.000 0.282 26 Q C -1.472 174.507 176.000 -0.036 0.000 1.106 26 Q CA -1.084 54.702 55.803 -0.029 0.000 0.814 26 Q CB 2.110 30.833 28.738 -0.025 0.000 1.425 26 Q HN 0.339 nan 8.270 nan 0.000 0.437 27 L N 1.348 122.536 121.223 -0.057 0.000 2.307 27 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 27 L C -0.878 175.944 176.870 -0.080 0.000 1.023 27 L CA -0.274 54.523 54.840 -0.072 0.000 0.810 27 L CB 1.535 43.530 42.059 -0.106 0.000 1.231 27 L HN 0.498 nan 8.230 nan 0.000 0.423 28 D N 3.649 124.011 120.400 -0.063 0.000 2.380 28 D HA 0.237 4.877 4.640 -0.000 0.000 0.230 28 D C 0.641 176.893 176.300 -0.080 0.000 1.154 28 D CA 0.164 54.126 54.000 -0.064 0.000 0.859 28 D CB 0.840 41.619 40.800 -0.036 0.000 1.045 28 D HN 0.457 nan 8.370 nan 0.000 0.495 29 I N 2.293 122.783 120.570 -0.133 0.000 3.854 29 I HA -0.032 4.138 4.170 -0.000 0.000 0.312 29 I C 1.898 177.979 176.117 -0.060 0.000 1.273 29 I CA 0.016 61.223 61.300 -0.155 0.000 1.298 29 I CB 0.530 38.227 38.000 -0.506 0.000 1.071 29 I HN 0.430 nan 8.210 nan 0.000 0.428 30 C N -0.376 118.879 119.300 -0.075 0.000 2.519 30 C HA -0.012 4.448 4.460 -0.000 0.000 0.281 30 C C 3.004 177.957 174.990 -0.062 0.000 1.331 30 C CA 0.545 59.531 59.018 -0.053 0.000 1.725 30 C CB -0.454 27.267 27.740 -0.031 0.000 2.079 30 C HN 0.396 nan 8.230 nan 0.000 0.496 31 S N 1.162 116.833 115.700 -0.048 0.000 2.407 31 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 31 S C 1.490 176.056 174.600 -0.056 0.000 1.036 31 S CA 1.712 59.886 58.200 -0.043 0.000 1.013 31 S CB -0.189 62.994 63.200 -0.028 0.000 0.820 31 S HN 0.687 nan 8.310 nan 0.000 0.476 32 S N 0.222 115.877 115.700 -0.074 0.000 2.855 32 S HA 0.529 4.999 4.470 -0.000 0.000 0.249 32 S C 0.148 174.628 174.600 -0.200 0.000 1.033 32 S CA -0.400 57.743 58.200 -0.094 0.000 1.038 32 S CB 0.741 63.911 63.200 -0.049 0.000 0.960 32 S HN 0.509 nan 8.310 nan 0.000 0.548 33 A N 3.586 126.234 122.820 -0.287 0.000 2.445 33 A HA 0.611 4.930 4.320 -0.000 0.000 0.242 33 A C -1.679 175.647 177.584 -0.430 0.000 1.075 33 A CA -0.738 50.936 52.037 -0.607 0.000 0.777 33 A CB -0.269 18.453 19.000 -0.464 0.000 1.013 33 A HN 0.272 nan 8.150 nan 0.000 0.493 38 T N -1.463 113.089 114.554 -0.004 0.000 2.958 38 T HA 0.354 4.703 4.350 -0.000 0.000 0.256 38 T C 0.452 175.136 174.700 -0.027 0.000 0.983 38 T CA 0.096 62.192 62.100 -0.008 0.000 0.924 38 T CB 0.283 69.143 68.868 -0.014 0.000 1.136 38 T HN 0.538 nan 8.240 nan 0.000 0.506 39 S N 0.836 116.450 115.700 -0.143 0.000 2.627 39 S HA 0.836 5.306 4.470 -0.000 0.000 0.283 39 S C -1.564 172.858 174.600 -0.297 0.000 1.127 39 S CA -0.959 57.054 58.200 -0.311 0.000 0.863 39 S CB 1.841 64.622 63.200 -0.699 0.000 1.121 39 S HN 0.555 nan 8.310 nan 0.000 0.479 40 F N -0.983 118.797 119.950 -0.282 0.000 2.626 40 F HA 0.902 5.429 4.527 -0.001 0.000 0.311 40 F C -0.758 175.153 175.800 0.185 0.000 1.088 40 F CA -0.675 57.273 58.000 -0.085 0.000 0.949 40 F CB 1.188 40.154 39.000 -0.056 0.000 1.322 40 F HN 0.404 nan 8.300 nan 0.000 0.461 41 S N 1.841 117.762 115.700 0.368 0.000 2.542 41 S HA 0.740 5.210 4.470 -0.000 0.000 0.293 41 S C -0.996 173.774 174.600 0.283 0.000 1.089 41 S CA -0.713 57.659 58.200 0.287 0.000 0.961 41 S CB 1.691 65.051 63.200 0.267 0.000 1.062 41 S HN 0.596 nan 8.310 nan 0.000 0.483 42 I N 2.816 123.521 120.570 0.225 0.000 2.474 42 I HA 0.468 4.638 4.170 -0.000 0.000 0.294 42 I C -0.649 175.510 176.117 0.069 0.000 1.005 42 I CA -0.638 60.737 61.300 0.125 0.000 1.113 42 I CB 1.817 39.875 38.000 0.097 0.000 1.289 42 I HN 0.431 nan 8.210 nan 0.000 0.436 43 N N 4.725 123.438 118.700 0.021 0.000 2.371 43 N HA 0.754 5.494 4.740 -0.000 0.000 0.291 43 N C -1.572 173.922 175.510 -0.027 0.000 1.053 43 N CA -0.302 52.750 53.050 0.003 0.000 0.870 43 N CB 2.163 40.649 38.487 -0.001 0.000 1.503 43 N HN 0.742 nan 8.380 nan 0.000 0.485 44 A N 1.432 124.236 122.820 -0.026 0.000 2.469 44 A HA 0.719 5.039 4.320 -0.000 0.000 0.299 44 A C -0.262 177.301 177.584 -0.035 0.000 1.098 44 A CA -0.609 51.402 52.037 -0.043 0.000 0.737 44 A CB 0.662 19.636 19.000 -0.043 0.000 1.312 44 A HN 0.723 nan 8.150 nan 0.000 0.414 45 S N 0.660 116.335 115.700 -0.042 0.000 2.593 45 S HA 0.346 4.815 4.470 -0.000 0.000 0.269 45 S C -1.942 172.644 174.600 -0.023 0.000 1.334 45 S CA -0.519 57.663 58.200 -0.030 0.000 1.015 45 S CB 0.238 63.420 63.200 -0.029 0.000 0.912 45 S HN 0.408 nan 8.310 nan 0.000 0.541 46 P HA 0.055 nan 4.420 nan 0.000 0.221 46 P C 1.340 178.630 177.300 -0.016 0.000 1.145 46 P CA 1.245 64.336 63.100 -0.014 0.000 0.795 46 P CB -0.378 31.316 31.700 -0.011 0.000 0.775 47 G N -1.108 107.681 108.800 -0.019 0.000 2.777 47 G HA2 0.049 4.009 3.960 -0.000 0.000 0.211 47 G HA3 0.049 4.009 3.960 -0.000 0.000 0.211 47 G C 0.257 175.141 174.900 -0.027 0.000 1.149 47 G CA 0.062 45.149 45.100 -0.022 0.000 0.785 47 G HN 0.162 nan 8.290 nan 0.000 0.536 48 V N 1.487 121.385 119.914 -0.028 0.000 2.407 48 V HA 0.346 4.466 4.120 -0.000 0.000 0.278 48 V C -0.226 175.851 176.094 -0.028 0.000 1.037 48 V CA -0.719 61.561 62.300 -0.032 0.000 0.900 48 V CB 1.732 33.532 31.823 -0.039 0.000 0.983 48 V HN -0.046 nan 8.190 nan 0.000 0.459 49 V N 5.825 125.722 119.914 -0.028 0.000 2.311 49 V HA 0.279 4.399 4.120 -0.000 0.000 0.275 49 V C 0.067 176.142 176.094 -0.032 0.000 1.022 49 V CA -0.593 61.692 62.300 -0.024 0.000 0.830 49 V CB 1.329 33.140 31.823 -0.020 0.000 1.012 49 V HN 0.615 nan 8.190 nan 0.000 0.452 50 V N 4.102 123.995 119.914 -0.035 0.000 2.427 50 V HA 0.286 4.406 4.120 -0.000 0.000 0.268 50 V C -0.025 176.033 176.094 -0.060 0.000 1.046 50 V CA 0.038 62.307 62.300 -0.053 0.000 0.970 50 V CB 1.223 33.013 31.823 -0.056 0.000 1.001 50 V HN 0.842 nan 8.190 nan 0.000 0.476 51 D N 4.137 124.496 120.400 -0.069 0.000 2.256 51 D HA 0.752 5.392 4.640 -0.000 0.000 0.246 51 D C -0.631 175.600 176.300 -0.115 0.000 1.042 51 D CA -0.171 53.789 54.000 -0.067 0.000 0.841 51 D CB 1.928 42.705 40.800 -0.039 0.000 1.223 51 D HN 0.496 nan 8.370 nan 0.000 0.470 68 W N 2.046 123.122 121.300 -0.373 0.000 3.138 68 W HA 0.496 5.156 4.660 -0.001 0.000 0.331 68 W C -2.917 173.335 176.519 -0.446 0.000 1.166 68 W CA -2.086 54.961 57.345 -0.496 0.000 1.212 68 W CB 2.082 31.047 29.460 -0.825 0.000 1.399 68 W HN -0.090 nan 8.180 nan 0.000 0.514 69 P HA 0.055 nan 4.420 nan 0.000 0.275 69 P C 0.001 177.446 177.300 0.242 0.000 1.228 69 P CA -0.374 62.769 63.100 0.073 0.000 0.786 69 P CB 1.496 33.242 31.700 0.076 0.000 0.927 70 L N 2.366 123.728 121.223 0.232 0.000 2.919 70 L HA 0.180 4.520 4.340 -0.000 0.000 0.242 70 L C 0.034 177.011 176.870 0.178 0.000 1.366 70 L CA 0.159 55.181 54.840 0.304 0.000 1.212 70 L CB -2.208 39.980 42.059 0.215 0.000 1.604 70 L HN 0.298 nan 8.230 nan 0.000 0.433 71 D N -1.153 119.356 120.400 0.181 0.000 2.198 71 D HA 0.290 4.930 4.640 -0.000 0.000 0.245 71 D C -1.769 174.589 176.300 0.096 0.000 1.079 71 D CA -2.184 51.883 54.000 0.112 0.000 0.854 71 D CB 1.821 42.681 40.800 0.101 0.000 1.148 71 D HN -0.012 nan 8.370 nan 0.000 0.456 72 P HA 0.016 nan 4.420 nan 0.000 0.221 72 P C 1.284 178.603 177.300 0.031 0.000 1.145 72 P CA 0.953 64.070 63.100 0.029 0.000 0.795 72 P CB 0.159 31.869 31.700 0.016 0.000 0.775 73 G N -0.394 108.433 108.800 0.044 0.000 2.708 73 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.210 73 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.210 73 G C 0.402 175.330 174.900 0.048 0.000 1.141 73 G CA -0.095 45.030 45.100 0.041 0.000 0.788 73 G HN 0.330 nan 8.290 nan 0.000 0.531 74 V N 2.017 121.970 119.914 0.065 0.000 2.397 74 V HA 0.158 4.278 4.120 -0.000 0.000 0.262 74 V C -0.221 175.875 176.094 0.004 0.000 1.047 74 V CA -0.763 61.574 62.300 0.061 0.000 1.003 74 V CB 0.374 32.289 31.823 0.152 0.000 1.037 74 V HN 0.266 nan 8.190 nan 0.000 0.480 75 E N 5.685 125.875 120.200 -0.017 0.000 2.217 75 E HA 0.226 4.576 4.350 -0.000 0.000 0.279 75 E C -0.720 175.832 176.600 -0.080 0.000 1.068 75 E CA -0.110 56.267 56.400 -0.039 0.000 0.882 75 E CB 1.647 31.331 29.700 -0.026 0.000 1.039 75 E HN 0.478 nan 8.360 nan 0.000 0.418 76 V N 3.321 123.184 119.914 -0.085 0.000 2.407 76 V HA 0.282 4.402 4.120 -0.000 0.000 0.291 76 V C 0.188 176.233 176.094 -0.083 0.000 1.018 76 V CA -0.582 61.652 62.300 -0.110 0.000 0.842 76 V CB 1.798 33.548 31.823 -0.120 0.000 0.996 76 V HN 0.605 nan 8.190 nan 0.000 0.426 77 T N 6.450 120.957 114.554 -0.078 0.000 2.861 77 T HA 0.740 5.090 4.350 -0.000 0.000 0.287 77 T C -0.974 173.694 174.700 -0.053 0.000 1.003 77 T CA -0.375 61.693 62.100 -0.054 0.000 0.977 77 T CB 0.866 69.710 68.868 -0.040 0.000 0.996 77 T HN 0.437 nan 8.240 nan 0.000 0.448 78 L N 4.056 125.253 121.223 -0.043 0.000 2.329 78 L HA 0.665 5.004 4.340 -0.000 0.000 0.279 78 L C -0.044 176.806 176.870 -0.034 0.000 1.014 78 L CA -0.904 53.911 54.840 -0.042 0.000 0.814 78 L CB 2.253 44.287 42.059 -0.042 0.000 1.257 78 L HN 0.653 nan 8.230 nan 0.000 0.424 79 T N 2.785 117.319 114.554 -0.033 0.000 2.881 79 T HA 0.567 4.916 4.350 -0.000 0.000 0.290 79 T C -0.323 174.357 174.700 -0.034 0.000 1.000 79 T CA -0.753 61.329 62.100 -0.031 0.000 0.978 79 T CB 1.836 70.688 68.868 -0.026 0.000 0.997 79 T HN 0.292 nan 8.240 nan 0.000 0.443 80 M N 2.747 122.323 119.600 -0.040 0.000 2.264 80 M HA 0.424 4.903 4.480 -0.000 0.000 0.352 80 M C 0.990 177.265 176.300 -0.042 0.000 1.173 80 M CA -0.597 54.677 55.300 -0.044 0.000 1.075 80 M CB 1.484 34.050 32.600 -0.056 0.000 1.621 80 M HN 0.596 nan 8.290 nan 0.000 0.457 81 K N 1.328 121.706 120.400 -0.038 0.000 2.076 81 K HA 0.286 4.605 4.320 -0.000 0.000 0.204 81 K C 0.628 177.204 176.600 -0.040 0.000 1.051 81 K CA 0.935 57.201 56.287 -0.034 0.000 0.949 81 K CB 0.257 32.740 32.500 -0.027 0.000 0.726 81 K HN 0.784 nan 8.250 nan 0.000 0.443 82 A N 0.276 123.068 122.820 -0.047 0.000 2.602 82 A HA 0.658 4.978 4.320 -0.000 0.000 0.290 82 A C -1.478 176.064 177.584 -0.071 0.000 1.114 82 A CA -0.708 51.297 52.037 -0.054 0.000 0.683 82 A CB 0.864 19.839 19.000 -0.042 0.000 1.281 82 A HN 0.113 nan 8.150 nan 0.000 0.416 83 A N 0.659 123.429 122.820 -0.084 0.000 2.531 83 A HA 0.502 4.822 4.320 -0.000 0.000 0.236 83 A C 0.736 178.264 177.584 -0.093 0.000 1.062 83 A CA 0.593 52.562 52.037 -0.113 0.000 0.760 83 A CB -0.418 18.510 19.000 -0.119 0.000 0.995 83 A HN 1.249 nan 8.150 nan 0.000 0.501 84 S N 1.069 116.703 115.700 -0.109 0.000 2.562 84 S HA 0.341 4.811 4.470 -0.000 0.000 0.281 84 S C 1.592 176.154 174.600 -0.063 0.000 1.333 84 S CA 0.179 58.336 58.200 -0.071 0.000 1.052 84 S CB 1.273 64.434 63.200 -0.064 0.000 0.884 84 S HN 1.004 nan 8.310 nan 0.000 0.506 85 G N 1.326 110.107 108.800 -0.032 0.000 2.539 85 G HA2 0.157 4.117 3.960 -0.000 0.000 0.215 85 G HA3 0.157 4.117 3.960 -0.000 0.000 0.215 85 G C 0.158 175.056 174.900 -0.004 0.000 1.141 85 G CA 0.252 45.341 45.100 -0.018 0.000 0.806 85 G HN 0.748 nan 8.290 nan 0.000 0.533 86 S N -1.008 114.695 115.700 0.005 0.000 2.564 86 S HA 0.514 4.984 4.470 -0.000 0.000 0.274 86 S C -0.565 174.058 174.600 0.038 0.000 1.124 86 S CA -0.585 57.629 58.200 0.022 0.000 0.869 86 S CB 1.518 64.733 63.200 0.025 0.000 1.105 86 S HN -0.027 nan 8.310 nan 0.000 0.472 87 T N 2.065 116.654 114.554 0.059 0.000 2.891 87 T HA 0.377 4.727 4.350 -0.000 0.000 0.296 87 T C 1.547 176.303 174.700 0.093 0.000 1.025 87 T CA 1.555 63.706 62.100 0.086 0.000 1.149 87 T CB -0.506 68.410 68.868 0.080 0.000 1.007 87 T HN 1.941 nan 8.240 nan 0.000 0.528 88 G N 3.693 112.570 108.800 0.128 0.000 2.166 88 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 88 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 88 G C 0.706 175.710 174.900 0.174 0.000 0.986 88 G CA 0.563 45.778 45.100 0.193 0.000 0.683 88 G HN 0.946 nan 8.290 nan 0.000 0.527 89 D N -0.643 119.815 120.400 0.097 0.000 2.378 89 D HA 0.026 4.666 4.640 -0.000 0.000 0.222 89 D C 0.942 177.271 176.300 0.049 0.000 0.980 89 D CA 1.078 55.119 54.000 0.069 0.000 0.907 89 D CB 0.125 40.946 40.800 0.036 0.000 0.899 89 D HN 0.402 nan 8.370 nan 0.000 0.527 90 Q N -0.051 119.775 119.800 0.043 0.000 2.297 90 Q HA 0.518 4.858 4.340 -0.000 0.000 0.268 90 Q C -0.500 175.492 176.000 -0.013 0.000 1.045 90 Q CA -0.641 55.166 55.803 0.006 0.000 0.861 90 Q CB 2.721 31.452 28.738 -0.011 0.000 1.344 90 Q HN 0.246 nan 8.270 nan 0.000 0.452 91 K N -0.292 120.065 120.400 -0.072 0.000 2.562 91 K HA 0.552 4.872 4.320 -0.000 0.000 0.267 91 K C -1.814 174.691 176.600 -0.159 0.000 0.938 91 K CA -0.497 55.685 56.287 -0.176 0.000 0.840 91 K CB 1.763 34.120 32.500 -0.239 0.000 1.390 91 K HN 0.358 nan 8.250 nan 0.000 0.428 92 V N 2.838 122.631 119.914 -0.202 0.000 2.638 92 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 92 V C -0.966 175.027 176.094 -0.168 0.000 1.052 92 V CA -0.775 61.437 62.300 -0.148 0.000 0.885 92 V CB 1.625 33.378 31.823 -0.116 0.000 0.999 92 V HN 0.797 nan 8.190 nan 0.000 0.424 93 Q N 3.636 123.362 119.800 -0.123 0.000 2.333 93 Q HA 0.671 5.010 4.340 -0.000 0.000 0.268 93 Q C -1.639 174.306 176.000 -0.092 0.000 1.007 93 Q CA -0.679 55.057 55.803 -0.111 0.000 0.810 93 Q CB 1.691 30.378 28.738 -0.085 0.000 1.264 93 Q HN 0.735 nan 8.270 nan 0.000 0.452 94 I N 2.841 123.327 120.570 -0.140 0.000 2.328 94 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 94 I C -0.514 175.436 176.117 -0.277 0.000 1.012 94 I CA -0.093 61.074 61.300 -0.222 0.000 1.195 94 I CB 1.872 39.632 38.000 -0.401 0.000 1.350 94 I HN 0.440 nan 8.210 nan 0.000 0.464 95 S N 6.127 121.759 115.700 -0.113 0.000 2.410 95 S HA 0.449 4.918 4.470 -0.000 0.000 0.304 95 S C -0.665 173.966 174.600 0.052 0.000 1.095 95 S CA -0.582 57.618 58.200 0.001 0.000 1.089 95 S CB -0.141 63.123 63.200 0.107 0.000 0.968 95 S HN 0.268 nan 8.310 nan 0.000 0.480 96 Y N 3.217 123.646 120.300 0.216 0.000 2.365 96 Y HA 0.441 4.991 4.550 -0.001 0.000 0.340 96 Y C 0.212 176.243 175.900 0.218 0.000 1.016 96 Y CA -0.864 57.345 58.100 0.180 0.000 1.196 96 Y CB 0.121 38.635 38.460 0.091 0.000 1.167 96 Y HN 0.721 nan 8.280 nan 0.000 0.509 97 Y N 0.162 120.603 120.300 0.235 0.000 2.553 97 Y HA 0.988 5.538 4.550 -0.001 0.000 0.347 97 Y C -0.326 175.644 175.900 0.117 0.000 1.019 97 Y CA -1.757 56.427 58.100 0.140 0.000 1.032 97 Y CB 1.493 40.006 38.460 0.088 0.000 1.284 97 Y HN 0.678 nan 8.280 nan 0.000 0.466 98 G N 0.449 109.378 108.800 0.215 0.000 2.798 98 G HA2 0.539 4.499 3.960 -0.000 0.000 0.286 98 G HA3 0.539 4.499 3.960 -0.000 0.000 0.286 98 G C -2.551 172.432 174.900 0.138 0.000 1.389 98 G CA -2.028 43.139 45.100 0.113 0.000 0.894 98 G HN 0.400 nan 8.290 nan 0.000 0.488 99 P HA 0.025 nan 4.420 nan 0.000 0.219 99 P C 0.786 178.124 177.300 0.064 0.000 1.146 99 P CA 1.329 64.472 63.100 0.072 0.000 0.808 99 P CB 0.157 31.883 31.700 0.044 0.000 0.779 100 K N -2.514 117.923 120.400 0.062 0.000 2.684 100 K HA 0.200 4.520 4.320 -0.000 0.000 0.189 100 K C -0.347 176.286 176.600 0.055 0.000 1.154 100 K CA -0.402 55.916 56.287 0.050 0.000 1.109 100 K CB -0.165 32.356 32.500 0.035 0.000 0.826 100 K HN -0.098 nan 8.250 nan 0.000 0.501 101 T N -0.156 114.443 114.554 0.075 0.000 2.786 101 T HA 0.500 4.850 4.350 -0.000 0.000 0.283 101 T C -2.666 172.093 174.700 0.097 0.000 0.992 101 T CA -2.001 60.145 62.100 0.078 0.000 0.954 101 T CB 1.300 70.215 68.868 0.078 0.000 0.934 101 T HN -0.106 nan 8.240 nan 0.000 0.440 102 P HA 0.245 nan 4.420 nan 0.000 0.267 102 P C -2.511 174.851 177.300 0.105 0.000 1.200 102 P CA -0.883 62.261 63.100 0.073 0.000 0.772 102 P CB -0.444 31.287 31.700 0.050 0.000 0.855 103 P HA 0.066 nan 4.420 nan 0.000 0.271 103 P C -0.874 176.514 177.300 0.147 0.000 1.220 103 P CA 0.163 63.360 63.100 0.162 0.000 0.768 103 P CB 0.359 32.129 31.700 0.117 0.000 0.848 104 V N 4.466 124.501 119.914 0.201 0.000 2.333 104 V HA 0.230 4.350 4.120 -0.000 0.000 0.274 104 V C 0.404 176.644 176.094 0.243 0.000 1.028 104 V CA -0.557 61.862 62.300 0.198 0.000 0.851 104 V CB 0.624 32.564 31.823 0.195 0.000 1.000 104 V HN 0.524 nan 8.190 nan 0.000 0.456 105 K N 4.149 124.635 120.400 0.143 0.000 2.110 105 K HA 0.879 5.199 4.320 -0.000 0.000 0.263 105 K C -0.415 176.241 176.600 0.092 0.000 0.975 105 K CA -0.409 55.924 56.287 0.077 0.000 0.895 105 K CB 1.618 34.133 32.500 0.025 0.000 1.060 105 K HN 0.611 nan 8.250 nan 0.000 0.448 106 A N 2.712 125.551 122.820 0.032 0.000 2.342 106 A HA 0.684 5.003 4.320 -0.000 0.000 0.323 106 A C -1.336 176.221 177.584 -0.044 0.000 1.125 106 A CA -0.858 51.209 52.037 0.050 0.000 0.785 106 A CB 0.586 19.666 19.000 0.133 0.000 1.221 106 A HN 0.537 nan 8.150 nan 0.000 0.463 107 L N 1.522 122.715 121.223 -0.049 0.000 2.325 107 L HA 0.697 5.036 4.340 -0.000 0.000 0.278 107 L C -0.690 176.076 176.870 -0.172 0.000 1.023 107 L CA -0.417 54.330 54.840 -0.155 0.000 0.811 107 L CB 1.660 43.621 42.059 -0.163 0.000 1.249 107 L HN 0.666 nan 8.230 nan 0.000 0.431 108 L N 3.377 124.431 121.223 -0.282 0.000 2.439 108 L HA 0.510 4.849 4.340 -0.000 0.000 0.270 108 L C -1.677 174.993 176.870 -0.332 0.000 0.972 108 L CA -0.168 54.542 54.840 -0.216 0.000 0.836 108 L CB 1.299 43.280 42.059 -0.131 0.000 1.255 108 L HN 0.366 nan 8.230 nan 0.000 0.404 109 Y N 5.679 125.844 120.300 -0.225 0.000 2.335 109 Y HA 0.634 5.184 4.550 -0.000 0.000 0.339 109 Y C -0.434 175.430 175.900 -0.061 0.000 0.987 109 Y CA -0.597 57.406 58.100 -0.160 0.000 1.140 109 Y CB 1.422 39.742 38.460 -0.232 0.000 1.173 109 Y HN 0.378 nan 8.280 nan 0.000 0.486 110 L N 2.857 124.138 121.223 0.095 0.000 2.334 110 L HA 0.616 4.955 4.340 -0.000 0.000 0.273 110 L C -0.117 176.796 176.870 0.071 0.000 1.013 110 L CA -0.671 54.207 54.840 0.064 0.000 0.816 110 L CB 2.085 44.148 42.059 0.007 0.000 1.278 110 L HN 0.554 nan 8.230 nan 0.000 0.431 111 T N 2.137 116.724 114.554 0.055 0.000 2.847 111 T HA 0.740 5.090 4.350 -0.000 0.000 0.291 111 T C -0.292 174.372 174.700 -0.060 0.000 0.998 111 T CA -0.529 61.584 62.100 0.021 0.000 0.967 111 T CB 1.551 70.468 68.868 0.081 0.000 0.954 111 T HN 0.686 nan 8.240 nan 0.000 0.441 112 A N 2.997 125.755 122.820 -0.102 0.000 2.310 112 A HA 0.875 5.195 4.320 -0.000 0.000 0.299 112 A C 0.103 177.531 177.584 -0.260 0.000 1.147 112 A CA -0.623 51.321 52.037 -0.154 0.000 0.818 112 A CB 0.403 19.334 19.000 -0.114 0.000 1.096 112 A HN 1.013 nan 8.150 nan 0.000 0.495 113 V N -0.247 119.474 119.914 -0.322 0.000 3.049 113 V HA 0.684 4.804 4.120 -0.000 0.000 0.309 113 V C -0.538 175.372 176.094 -0.307 0.000 1.148 113 V CA -0.833 61.221 62.300 -0.411 0.000 0.990 113 V CB 1.669 33.057 31.823 -0.724 0.000 1.039 113 V HN 0.969 nan 8.190 nan 0.000 0.430 114 E N 3.047 123.104 120.200 -0.238 0.000 2.146 114 E HA 0.540 4.890 4.350 -0.000 0.000 0.282 114 E C -1.410 175.111 176.600 -0.132 0.000 0.989 114 E CA -0.740 55.561 56.400 -0.164 0.000 0.799 114 E CB 1.328 30.970 29.700 -0.097 0.000 1.088 114 E HN 0.697 nan 8.360 nan 0.000 0.397 115 I N 4.343 124.832 120.570 -0.135 0.000 2.521 115 I HA 0.162 4.332 4.170 -0.000 0.000 0.277 115 I C -0.959 175.215 176.117 0.095 0.000 1.054 115 I CA -0.639 60.657 61.300 -0.007 0.000 1.117 115 I CB 0.840 38.819 38.000 -0.036 0.000 1.217 115 I HN 0.340 nan 8.210 nan 0.000 0.469 116 S N 6.561 122.319 115.700 0.098 0.000 2.659 116 S HA 0.582 5.052 4.470 -0.000 0.000 0.312 116 S C -0.455 174.204 174.600 0.097 0.000 1.114 116 S CA -0.698 57.562 58.200 0.099 0.000 1.063 116 S CB 2.375 65.604 63.200 0.049 0.000 0.996 116 S HN 0.450 nan 8.310 nan 0.000 0.478 117 L N 3.207 124.486 121.223 0.093 0.000 2.260 117 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 117 L C -0.754 176.128 176.870 0.020 0.000 1.057 117 L CA -0.340 54.537 54.840 0.062 0.000 0.811 117 L CB 0.302 42.377 42.059 0.026 0.000 1.184 117 L HN 0.833 nan 8.230 nan 0.000 0.429 118 C N 3.785 123.097 119.300 0.021 0.000 2.529 118 C HA 0.970 5.430 4.460 -0.000 0.000 0.329 118 C C 0.364 175.343 174.990 -0.019 0.000 1.194 118 C CA -0.555 58.455 59.018 -0.014 0.000 1.779 118 C CB 1.258 28.991 27.740 -0.012 0.000 2.322 118 C HN 0.938 nan 8.230 nan 0.000 0.500 119 A N 0.648 123.432 122.820 -0.061 0.000 2.568 119 A HA 0.677 4.997 4.320 -0.000 0.000 0.291 119 A C -1.520 176.014 177.584 -0.083 0.000 1.159 119 A CA -0.258 51.745 52.037 -0.056 0.000 0.679 119 A CB 0.817 19.724 19.000 -0.155 0.000 1.285 119 A HN 0.714 nan 8.150 nan 0.000 0.428 120 D N 1.039 121.401 120.400 -0.064 0.000 2.558 120 D HA 0.274 4.914 4.640 -0.000 0.000 0.221 120 D C 1.028 177.235 176.300 -0.155 0.000 1.143 120 D CA -0.058 53.887 54.000 -0.091 0.000 1.010 120 D CB -0.473 40.291 40.800 -0.060 0.000 1.068 120 D HN 0.468 nan 8.370 nan 0.000 0.511 121 I N -0.240 120.222 120.570 -0.181 0.000 3.419 121 I HA 0.064 4.233 4.170 -0.000 0.000 0.286 121 I C 1.531 177.486 176.117 -0.270 0.000 1.268 121 I CA 0.442 61.595 61.300 -0.245 0.000 1.414 121 I CB -0.138 37.725 38.000 -0.229 0.000 1.074 121 I HN 0.149 nan 8.210 nan 0.000 0.457 122 T N -1.705 112.724 114.554 -0.209 0.000 3.107 122 T HA 0.257 4.607 4.350 -0.000 0.000 0.249 122 T C 0.860 175.434 174.700 -0.209 0.000 1.096 122 T CA -0.243 61.741 62.100 -0.193 0.000 1.012 122 T CB -0.228 68.564 68.868 -0.127 0.000 0.977 122 T HN 0.473 nan 8.240 nan 0.000 0.527 123 R N 0.670 121.012 120.500 -0.263 0.000 3.332 123 R HA -0.161 4.179 4.340 -0.000 0.000 0.263 123 R C 0.784 176.993 176.300 -0.152 0.000 1.053 123 R CA 0.894 56.786 56.100 -0.346 0.000 0.705 123 R CB -2.843 27.068 30.300 -0.648 0.000 1.166 123 R HN 0.778 nan 8.270 nan 0.000 0.427 124 T N -5.253 109.250 114.554 -0.086 0.000 3.431 124 T HA 0.454 4.804 4.350 -0.000 0.000 0.207 124 T C 0.745 175.444 174.700 -0.001 0.000 0.979 124 T CA 0.325 62.414 62.100 -0.019 0.000 1.141 124 T CB 1.244 70.099 68.868 -0.021 0.000 1.278 124 T HN 0.552 nan 8.240 nan 0.000 0.334 125 G N 3.153 111.943 108.800 -0.016 0.000 1.980 125 G HA2 0.473 4.433 3.960 -0.000 0.000 0.298 125 G HA3 0.473 4.433 3.960 -0.000 0.000 0.298 125 G C -0.496 174.391 174.900 -0.022 0.000 1.505 125 G CA -0.710 44.387 45.100 -0.006 0.000 1.158 125 G HN 0.556 nan 8.290 nan 0.000 0.557 137 R N 0.741 121.213 120.500 -0.047 0.000 4.432 137 R HA 0.208 4.548 4.340 -0.000 0.000 0.165 137 R C -0.828 175.462 176.300 -0.017 0.000 1.929 137 R CA 0.391 56.463 56.100 -0.047 0.000 1.469 137 R CB -0.347 29.923 30.300 -0.049 0.000 1.368 137 R HN 0.388 nan 8.270 nan 0.000 0.811 138 T N 0.696 115.240 114.554 -0.016 0.000 2.993 138 T HA 0.148 4.498 4.350 -0.000 0.000 0.312 138 T C -1.781 172.942 174.700 0.038 0.000 1.115 138 T CA -0.651 61.469 62.100 0.033 0.000 1.027 138 T CB 1.218 70.100 68.868 0.025 0.000 1.116 138 T HN 0.512 nan 8.240 nan 0.000 0.464 139 W N 4.365 125.622 121.300 -0.071 0.000 2.332 139 W HA 0.493 5.153 4.660 0.000 0.000 0.306 139 W C 0.313 176.779 176.519 -0.088 0.000 1.149 139 W CA -0.279 56.998 57.345 -0.113 0.000 1.271 139 W CB 0.657 30.036 29.460 -0.134 0.000 1.243 139 W HN 0.673 nan 8.180 nan 0.000 0.459 140 T N 2.088 116.463 114.554 -0.299 0.000 2.829 140 T HA 0.426 4.776 4.350 -0.000 0.000 0.280 140 T C -0.598 173.879 174.700 -0.371 0.000 0.999 140 T CA -0.730 61.299 62.100 -0.118 0.000 0.983 140 T CB 0.756 69.572 68.868 -0.086 0.000 0.968 140 T HN 0.367 nan 8.240 nan 0.000 0.446 141 W N 1.557 122.920 121.300 0.106 0.000 2.150 141 W HA 0.528 5.187 4.660 -0.002 0.000 0.341 141 W C 1.202 177.732 176.519 0.019 0.000 1.276 141 W CA 1.397 58.848 57.345 0.176 0.000 1.238 141 W CB 0.250 29.894 29.460 0.307 0.000 1.128 141 W HN 1.408 nan 8.180 nan 0.000 0.581 142 G N 1.618 110.589 108.800 0.285 0.000 2.555 142 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.686 142 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.686 142 G C -2.262 172.666 174.900 0.046 0.000 1.275 142 G CA -0.841 44.355 45.100 0.160 0.000 0.871 142 G HN 0.278 nan 8.290 nan 0.000 0.603 143 P HA 0.060 nan 4.420 nan 0.000 0.219 143 P C 1.425 178.705 177.300 -0.033 0.000 1.146 143 P CA 1.631 64.716 63.100 -0.025 0.000 0.808 143 P CB 0.168 31.850 31.700 -0.031 0.000 0.779 144 C N -1.523 117.759 119.300 -0.030 0.000 2.688 144 C HA 0.479 4.939 4.460 -0.000 0.000 0.297 144 C C 1.542 176.483 174.990 -0.082 0.000 1.308 144 C CA -0.483 58.506 59.018 -0.049 0.000 1.726 144 C CB -1.065 26.657 27.740 -0.031 0.000 1.982 144 C HN 0.187 nan 8.230 nan 0.000 0.604 145 G N 0.020 108.750 108.800 -0.116 0.000 2.532 145 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 145 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 145 G C -1.044 173.665 174.900 -0.318 0.000 1.349 145 G CA -0.039 44.937 45.100 -0.207 0.000 1.038 145 G HN 0.419 nan 8.290 nan 0.000 0.518 146 Q N -1.755 117.754 119.800 -0.484 0.000 2.353 146 Q HA 0.532 4.872 4.340 -0.000 0.000 0.275 146 Q C -0.844 174.653 176.000 -0.838 0.000 1.029 146 Q CA -0.382 55.112 55.803 -0.516 0.000 0.848 146 Q CB 2.214 30.759 28.738 -0.322 0.000 1.390 146 Q HN 1.526 nan 8.270 nan 0.000 0.401 147 G N 0.902 109.251 108.800 -0.752 0.000 2.462 147 G HA2 0.400 4.360 3.960 -0.000 0.000 0.424 147 G HA3 0.400 4.360 3.960 -0.000 0.000 0.424 147 G C -1.300 173.364 174.900 -0.394 0.000 1.573 147 G CA -0.355 44.285 45.100 -0.767 0.000 0.913 147 G HN 0.715 nan 8.290 nan 0.000 0.672 148 A N 1.029 123.770 122.820 -0.132 0.000 2.332 148 A HA 0.857 5.177 4.320 -0.000 0.000 0.258 148 A C 0.163 177.925 177.584 0.296 0.000 1.087 148 A CA -0.181 51.843 52.037 -0.020 0.000 0.802 148 A CB 0.497 19.440 19.000 -0.096 0.000 1.042 148 A HN 1.135 nan 8.150 nan 0.000 0.489 149 I N 0.201 120.913 120.570 0.235 0.000 2.525 149 I HA 0.462 4.631 4.170 -0.000 0.000 0.301 149 I C -0.245 176.083 176.117 0.352 0.000 0.992 149 I CA -0.037 61.444 61.300 0.301 0.000 1.162 149 I CB 1.655 39.739 38.000 0.139 0.000 1.332 149 I HN 0.546 nan 8.210 nan 0.000 0.458 150 L N 5.891 127.279 121.223 0.275 0.000 2.385 150 L HA 0.566 4.905 4.340 -0.000 0.000 0.273 150 L C -1.152 175.790 176.870 0.121 0.000 0.990 150 L CA -0.713 54.203 54.840 0.126 0.000 0.821 150 L CB 1.565 43.616 42.059 -0.014 0.000 1.279 150 L HN 0.437 nan 8.230 nan 0.000 0.412 151 L N 4.163 125.457 121.223 0.118 0.000 2.334 151 L HA 0.412 4.751 4.340 -0.000 0.000 0.277 151 L C -0.268 176.581 176.870 -0.034 0.000 1.075 151 L CA -0.908 53.972 54.840 0.066 0.000 0.804 151 L CB 1.867 43.997 42.059 0.120 0.000 1.174 151 L HN 0.291 nan 8.230 nan 0.000 0.438 152 V N 2.086 121.891 119.914 -0.181 0.000 2.508 152 V HA -0.009 4.111 4.120 -0.000 0.000 0.281 152 V C 0.586 176.638 176.094 -0.069 0.000 1.041 152 V CA -0.298 61.850 62.300 -0.252 0.000 1.016 152 V CB 0.865 32.260 31.823 -0.713 0.000 0.984 152 V HN 0.641 nan 8.190 nan 0.000 0.478 153 N N 3.870 122.565 118.700 -0.007 0.000 3.245 153 N HA 0.076 4.816 4.740 -0.000 0.000 0.296 153 N C 0.696 176.257 175.510 0.086 0.000 1.254 153 N CA -0.328 52.756 53.050 0.056 0.000 1.190 153 N CB -0.126 38.398 38.487 0.062 0.000 1.460 153 N HN 0.863 nan 8.380 nan 0.000 0.538 154 C N -0.836 118.541 119.300 0.130 0.000 2.855 154 C HA 0.311 4.771 4.460 -0.000 0.000 0.279 154 C C 0.742 175.871 174.990 0.232 0.000 1.270 154 C CA -0.961 58.177 59.018 0.201 0.000 1.702 154 C CB -1.329 26.595 27.740 0.307 0.000 1.949 154 C HN 0.520 nan 8.230 nan 0.000 0.618 155 D N 1.063 121.577 120.400 0.191 0.000 2.539 155 D HA 0.269 4.909 4.640 -0.000 0.000 0.280 155 D C -0.193 176.178 176.300 0.119 0.000 1.208 155 D CA -0.690 53.422 54.000 0.187 0.000 1.088 155 D CB 0.460 41.376 40.800 0.193 0.000 1.149 155 D HN 0.372 nan 8.370 nan 0.000 0.596 156 R N -0.336 120.224 120.500 0.100 0.000 2.855 156 R HA 0.156 4.495 4.340 -0.000 0.000 0.261 156 R C -0.690 175.638 176.300 0.047 0.000 1.826 156 R CA -0.404 55.728 56.100 0.054 0.000 1.435 156 R CB 0.396 30.714 30.300 0.030 0.000 1.383 156 R HN 0.248 nan 8.270 nan 0.000 0.583 157 D N 0.420 120.842 120.400 0.038 0.000 2.224 157 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 157 D C 0.150 176.454 176.300 0.006 0.000 0.965 157 D CA 0.700 54.715 54.000 0.024 0.000 0.852 157 D CB 0.234 41.042 40.800 0.013 0.000 0.947 157 D HN 0.448 nan 8.370 nan 0.000 0.494 158 N N 1.659 120.358 118.700 -0.002 0.000 2.434 158 N HA -0.031 4.709 4.740 -0.000 0.000 0.268 158 N C -0.171 175.335 175.510 -0.006 0.000 1.256 158 N CA 0.008 53.052 53.050 -0.011 0.000 0.914 158 N CB 0.506 38.983 38.487 -0.016 0.000 1.088 158 N HN 0.080 nan 8.380 nan 0.000 0.478 159 L N 3.778 124.997 121.223 -0.008 0.000 2.453 159 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 159 L C 1.263 178.128 176.870 -0.009 0.000 1.182 159 L CA 0.183 55.020 54.840 -0.005 0.000 0.858 159 L CB 0.204 42.260 42.059 -0.005 0.000 1.120 159 L HN 0.672 nan 8.230 nan 0.000 0.474 160 E N -0.281 119.914 120.200 -0.009 0.000 3.286 160 E HA -0.212 4.138 4.350 -0.000 0.000 0.292 160 E C 0.026 176.616 176.600 -0.017 0.000 0.928 160 E CA 0.704 57.097 56.400 -0.012 0.000 0.982 160 E CB -1.080 28.614 29.700 -0.010 0.000 1.500 160 E HN 0.655 nan 8.360 nan 0.000 0.441 161 S N -0.287 115.402 115.700 -0.018 0.000 2.690 161 S HA 0.505 4.975 4.470 -0.000 0.000 0.291 161 S C 1.063 175.643 174.600 -0.034 0.000 1.138 161 S CA 0.144 58.331 58.200 -0.023 0.000 1.013 161 S CB 1.982 65.171 63.200 -0.019 0.000 1.053 161 S HN 0.259 nan 8.310 nan 0.000 0.539 162 S N 2.202 117.877 115.700 -0.041 0.000 2.499 162 S HA 0.404 4.874 4.470 -0.000 0.000 0.225 162 S C 0.775 175.330 174.600 -0.075 0.000 1.050 162 S CA 0.332 58.495 58.200 -0.062 0.000 0.928 162 S CB -0.579 62.585 63.200 -0.061 0.000 0.803 162 S HN 1.064 nan 8.310 nan 0.000 0.506 163 A N 2.449 125.238 122.820 -0.051 0.000 2.322 163 A HA 0.652 4.972 4.320 -0.000 0.000 0.269 163 A C 0.396 177.964 177.584 -0.026 0.000 1.094 163 A CA -0.638 51.372 52.037 -0.045 0.000 0.807 163 A CB -0.050 18.936 19.000 -0.024 0.000 1.047 163 A HN 0.585 nan 8.150 nan 0.000 0.487 164 M N 1.069 120.662 119.600 -0.013 0.000 2.252 164 M HA -0.009 4.470 4.480 -0.000 0.000 0.321 164 M C 0.368 176.688 176.300 0.033 0.000 1.070 164 M CA -0.121 55.197 55.300 0.030 0.000 1.143 164 M CB 0.117 32.759 32.600 0.069 0.000 1.498 164 M HN 0.734 nan 8.290 nan 0.000 0.445 165 D N 1.346 121.772 120.400 0.043 0.000 2.144 165 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 165 D C 1.791 178.119 176.300 0.047 0.000 0.984 165 D CA 1.390 55.410 54.000 0.033 0.000 0.834 165 D CB -0.299 40.519 40.800 0.029 0.000 0.955 165 D HN 0.839 nan 8.370 nan 0.000 0.465 166 C N -0.070 119.265 119.300 0.058 0.000 2.539 166 C HA 0.241 4.700 4.460 -0.000 0.000 0.271 166 C C 2.059 177.079 174.990 0.050 0.000 1.412 166 C CA -0.582 58.476 59.018 0.066 0.000 1.729 166 C CB -1.219 26.553 27.740 0.053 0.000 1.739 166 C HN 0.096 nan 8.230 nan 0.000 0.570 167 E N 1.873 122.097 120.200 0.041 0.000 2.216 167 E HA -0.033 4.316 4.350 -0.000 0.000 0.192 167 E C 0.641 177.257 176.600 0.026 0.000 0.988 167 E CA 1.059 57.475 56.400 0.027 0.000 0.834 167 E CB 0.176 29.887 29.700 0.018 0.000 0.772 167 E HN 0.903 nan 8.360 nan 0.000 0.479 168 D N -0.385 120.037 120.400 0.037 0.000 2.487 168 D HA -0.021 4.618 4.640 -0.000 0.000 0.262 168 D C 0.021 176.360 176.300 0.066 0.000 1.130 168 D CA -0.570 53.453 54.000 0.039 0.000 1.038 168 D CB 0.519 41.338 40.800 0.033 0.000 1.142 168 D HN -0.145 nan 8.370 nan 0.000 0.575 169 D N -1.603 118.828 120.400 0.051 0.000 2.587 169 D HA 0.117 4.756 4.640 -0.000 0.000 0.233 169 D C -0.515 175.900 176.300 0.192 0.000 1.213 169 D CA -0.358 53.669 54.000 0.044 0.000 0.827 169 D CB -0.231 40.524 40.800 -0.074 0.000 1.006 169 D HN 0.480 nan 8.370 nan 0.000 0.490 170 E N -0.606 119.744 120.200 0.250 0.000 2.367 170 E HA 0.435 4.785 4.350 -0.000 0.000 0.273 170 E C -0.974 175.592 176.600 -0.057 0.000 0.903 170 E CA -1.243 55.263 56.400 0.177 0.000 0.764 170 E CB 2.896 32.623 29.700 0.046 0.000 1.252 170 E HN -0.147 nan 8.360 nan 0.000 0.446 171 V N 3.402 123.099 119.914 -0.361 0.000 2.334 171 V HA 0.125 4.244 4.120 -0.000 0.000 0.267 171 V C 0.793 176.738 176.094 -0.248 0.000 1.040 171 V CA -0.041 61.965 62.300 -0.490 0.000 0.866 171 V CB 0.449 31.819 31.823 -0.755 0.000 1.019 171 V HN 0.668 nan 8.190 nan 0.000 0.468 172 L N 2.859 123.983 121.223 -0.165 0.000 2.554 172 L HA 0.351 4.690 4.340 -0.000 0.000 0.225 172 L C -0.140 176.671 176.870 -0.099 0.000 1.104 172 L CA 0.595 55.373 54.840 -0.104 0.000 0.866 172 L CB 0.296 42.316 42.059 -0.064 0.000 1.047 172 L HN 0.630 nan 8.230 nan 0.000 0.468 173 D N -2.015 118.314 120.400 -0.120 0.000 2.879 173 D HA 0.112 4.752 4.640 -0.000 0.000 0.236 173 D C 0.753 176.975 176.300 -0.130 0.000 1.171 173 D CA -0.105 53.835 54.000 -0.099 0.000 0.868 173 D CB 1.858 42.618 40.800 -0.066 0.000 1.598 173 D HN -0.169 nan 8.370 nan 0.000 0.497 174 S N 1.896 117.526 115.700 -0.116 0.000 2.399 174 S HA -0.224 4.245 4.470 -0.000 0.000 0.231 174 S C 1.516 176.042 174.600 -0.124 0.000 1.022 174 S CA 0.850 58.968 58.200 -0.136 0.000 0.983 174 S CB -0.194 62.946 63.200 -0.101 0.000 0.803 174 S HN 0.616 nan 8.310 nan 0.000 0.480 175 E N 1.634 121.786 120.200 -0.079 0.000 2.274 175 E HA -0.163 4.186 4.350 -0.000 0.000 0.194 175 E C 1.461 178.034 176.600 -0.045 0.000 0.996 175 E CA 1.208 57.579 56.400 -0.048 0.000 0.840 175 E CB -0.743 28.945 29.700 -0.020 0.000 0.772 175 E HN 0.617 nan 8.360 nan 0.000 0.491 176 D N 1.703 122.060 120.400 -0.072 0.000 2.149 176 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 176 D C 2.083 178.334 176.300 -0.082 0.000 0.990 176 D CA 0.925 54.884 54.000 -0.068 0.000 0.839 176 D CB -0.200 40.538 40.800 -0.103 0.000 0.948 176 D HN 0.185 nan 8.370 nan 0.000 0.460 177 L N -0.065 121.057 121.223 -0.169 0.000 2.261 177 L HA -0.198 4.141 4.340 -0.000 0.000 0.216 177 L C 2.457 179.310 176.870 -0.029 0.000 1.114 177 L CA 1.009 55.713 54.840 -0.227 0.000 0.777 177 L CB -0.496 41.266 42.059 -0.496 0.000 0.910 177 L HN 0.215 nan 8.230 nan 0.000 0.440 178 Q N -0.282 119.528 119.800 0.016 0.000 2.226 178 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 178 Q C 1.480 177.606 176.000 0.210 0.000 0.975 178 Q CA 1.312 57.183 55.803 0.114 0.000 0.866 178 Q CB -0.030 28.759 28.738 0.084 0.000 0.915 178 Q HN 0.542 nan 8.270 nan 0.000 0.440 179 D N -0.172 120.321 120.400 0.154 0.000 2.277 179 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 179 D C 0.604 177.071 176.300 0.279 0.000 0.962 179 D CA 0.777 54.896 54.000 0.199 0.000 0.865 179 D CB 0.156 41.030 40.800 0.123 0.000 0.939 179 D HN 0.284 nan 8.370 nan 0.000 0.510 180 M N 0.273 119.993 119.600 0.201 0.000 2.291 180 M HA 0.192 4.671 4.480 -0.000 0.000 0.324 180 M C 0.300 176.621 176.300 0.035 0.000 1.148 180 M CA -0.190 55.212 55.300 0.170 0.000 1.104 180 M CB 1.586 34.315 32.600 0.215 0.000 1.483 180 M HN -0.363 nan 8.290 nan 0.000 0.467 181 S N 2.083 117.742 115.700 -0.068 0.000 2.499 181 S HA 0.439 4.908 4.470 -0.000 0.000 0.279 181 S C -0.683 173.806 174.600 -0.184 0.000 1.219 181 S CA -0.768 57.286 58.200 -0.243 0.000 1.062 181 S CB 0.920 64.031 63.200 -0.149 0.000 0.978 181 S HN 0.458 nan 8.310 nan 0.000 0.489 182 L N 4.294 125.366 121.223 -0.251 0.000 2.331 182 L HA 0.564 4.904 4.340 -0.000 0.000 0.278 182 L C -0.399 176.403 176.870 -0.114 0.000 1.106 182 L CA 0.368 54.994 54.840 -0.358 0.000 0.824 182 L CB 0.565 42.414 42.059 -0.350 0.000 1.142 182 L HN 0.769 nan 8.230 nan 0.000 0.443 183 M N 4.700 124.266 119.600 -0.055 0.000 2.395 183 M HA 0.590 5.070 4.480 -0.000 0.000 0.307 183 M C -1.112 175.275 176.300 0.144 0.000 1.091 183 M CA -0.341 55.022 55.300 0.104 0.000 0.919 183 M CB 2.025 34.751 32.600 0.210 0.000 1.662 183 M HN 0.797 nan 8.290 nan 0.000 0.440 184 T N 2.335 116.958 114.554 0.115 0.000 2.876 184 T HA 0.566 4.916 4.350 -0.000 0.000 0.289 184 T C -1.058 173.731 174.700 0.148 0.000 1.014 184 T CA -0.887 61.277 62.100 0.107 0.000 0.986 184 T CB 1.678 70.545 68.868 -0.001 0.000 1.021 184 T HN 0.754 nan 8.240 nan 0.000 0.458 185 L N 2.636 123.971 121.223 0.187 0.000 2.280 185 L HA 0.537 4.877 4.340 -0.000 0.000 0.287 185 L C -0.537 176.391 176.870 0.098 0.000 1.023 185 L CA -0.538 54.414 54.840 0.186 0.000 0.819 185 L CB 1.436 43.680 42.059 0.309 0.000 1.212 185 L HN 0.861 nan 8.230 nan 0.000 0.420 186 S N 2.150 117.896 115.700 0.077 0.000 2.437 186 S HA 0.584 5.054 4.470 -0.000 0.000 0.305 186 S C -0.102 174.547 174.600 0.081 0.000 1.109 186 S CA -0.617 57.613 58.200 0.050 0.000 1.099 186 S CB 1.555 64.768 63.200 0.021 0.000 1.004 186 S HN 0.691 nan 8.310 nan 0.000 0.475 187 T N 0.176 114.796 114.554 0.109 0.000 2.876 187 T HA 0.667 5.017 4.350 -0.000 0.000 0.289 187 T C -0.944 173.803 174.700 0.078 0.000 1.014 187 T CA -0.969 61.203 62.100 0.120 0.000 0.986 187 T CB 1.590 70.611 68.868 0.255 0.000 1.021 187 T HN 0.465 nan 8.240 nan 0.000 0.458 188 K N 2.155 122.551 120.400 -0.007 0.000 2.613 188 K HA 0.565 4.884 4.320 -0.000 0.000 0.248 188 K C -0.920 175.590 176.600 -0.151 0.000 0.959 188 K CA -0.450 55.813 56.287 -0.040 0.000 0.855 188 K CB 1.360 33.833 32.500 -0.045 0.000 1.143 188 K HN 1.046 nan 8.250 nan 0.000 0.437 189 T N 0.597 115.061 114.554 -0.150 0.000 2.841 189 T HA 0.553 4.902 4.350 -0.000 0.000 0.296 189 T C -2.923 171.686 174.700 -0.152 0.000 1.166 189 T CA -2.195 59.712 62.100 -0.321 0.000 1.007 189 T CB 1.704 70.204 68.868 -0.613 0.000 1.253 189 T HN 0.169 nan 8.240 nan 0.000 0.511 190 P HA 0.221 nan 4.420 nan 0.000 0.268 190 P C 0.527 177.850 177.300 0.037 0.000 1.208 190 P CA -0.307 62.783 63.100 -0.016 0.000 0.777 190 P CB 0.473 32.190 31.700 0.028 0.000 0.875 191 K N 1.402 121.830 120.400 0.046 0.000 2.160 191 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 191 K C 1.103 177.754 176.600 0.085 0.000 1.047 191 K CA 1.803 58.130 56.287 0.066 0.000 0.930 191 K CB -0.296 32.232 32.500 0.047 0.000 0.720 191 K HN 0.635 nan 8.250 nan 0.000 0.450 192 D N -0.329 120.116 120.400 0.074 0.000 2.340 192 D HA -0.077 4.563 4.640 -0.000 0.000 0.217 192 D C 1.319 177.654 176.300 0.059 0.000 1.081 192 D CA -0.212 53.827 54.000 0.064 0.000 0.842 192 D CB -0.300 40.521 40.800 0.035 0.000 0.934 192 D HN 0.142 nan 8.370 nan 0.000 0.511 193 F N 0.664 120.541 119.950 -0.122 0.000 2.171 193 F HA -0.002 4.524 4.527 -0.000 0.000 0.300 193 F C 1.149 176.805 175.800 -0.240 0.000 1.090 193 F CA 1.198 59.037 58.000 -0.268 0.000 1.293 193 F CB -0.093 38.572 39.000 -0.560 0.000 1.013 193 F HN -0.160 nan 8.300 nan 0.000 0.486 194 F N -0.544 119.439 119.950 0.055 0.000 2.773 194 F HA 0.042 4.568 4.527 -0.001 0.000 0.304 194 F C 2.029 177.789 175.800 -0.067 0.000 1.129 194 F CA 0.218 58.205 58.000 -0.022 0.000 1.378 194 F CB -0.724 38.325 39.000 0.081 0.000 1.095 194 F HN -0.186 nan 8.300 nan 0.000 0.565 195 T N 0.201 114.778 114.554 0.038 0.000 2.684 195 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 195 T C 1.309 175.947 174.700 -0.103 0.000 1.036 195 T CA 1.825 63.909 62.100 -0.027 0.000 1.148 195 T CB -0.288 68.556 68.868 -0.039 0.000 0.863 195 T HN 0.362 nan 8.240 nan 0.000 0.436 196 N N -0.483 118.096 118.700 -0.203 0.000 2.200 196 N HA 0.192 4.932 4.740 -0.000 0.000 0.224 196 N C -0.644 174.471 175.510 -0.657 0.000 1.179 196 N CA -0.117 52.711 53.050 -0.370 0.000 0.877 196 N CB 0.692 38.940 38.487 -0.398 0.000 1.072 196 N HN 0.376 nan 8.380 nan 0.000 0.519 197 H N -1.467 117.419 119.070 -0.307 0.000 2.980 197 H HA 0.536 5.091 4.556 -0.000 0.000 0.367 197 H C -0.907 174.495 175.328 0.123 0.000 1.206 197 H CA -0.561 55.369 56.048 -0.196 0.000 1.126 197 H CB 1.940 31.366 29.762 -0.559 0.000 1.838 197 H HN -0.190 nan 8.280 nan 0.000 0.552 198 T N 1.692 116.425 114.554 0.298 0.000 2.909 198 T HA 0.479 4.829 4.350 -0.000 0.000 0.299 198 T C -0.804 174.095 174.700 0.331 0.000 1.073 198 T CA -0.818 61.434 62.100 0.253 0.000 0.999 198 T CB 1.303 70.198 68.868 0.045 0.000 1.098 198 T HN 0.224 nan 8.240 nan 0.000 0.477 199 L N 2.083 123.469 121.223 0.272 0.000 2.317 199 L HA 0.823 5.163 4.340 -0.000 0.000 0.281 199 L C -0.542 176.504 176.870 0.294 0.000 1.024 199 L CA -1.035 53.979 54.840 0.291 0.000 0.810 199 L CB 1.827 44.032 42.059 0.243 0.000 1.240 199 L HN 0.359 nan 8.230 nan 0.000 0.427 200 V N 5.206 125.294 119.914 0.290 0.000 2.588 200 V HA 0.483 4.603 4.120 -0.000 0.000 0.304 200 V C -0.908 175.349 176.094 0.271 0.000 1.042 200 V CA -0.523 61.925 62.300 0.248 0.000 0.877 200 V CB 2.154 34.060 31.823 0.139 0.000 0.996 200 V HN 0.554 nan 8.190 nan 0.000 0.425 201 L N 7.119 128.465 121.223 0.205 0.000 2.309 201 L HA 0.756 5.096 4.340 -0.000 0.000 0.282 201 L C -0.656 176.305 176.870 0.151 0.000 1.036 201 L CA -0.250 54.640 54.840 0.085 0.000 0.806 201 L CB 1.382 43.414 42.059 -0.045 0.000 1.220 201 L HN 1.071 nan 8.230 nan 0.000 0.429 202 H N 1.740 120.797 119.070 -0.023 0.000 3.008 202 H HA 0.785 5.341 4.556 -0.000 0.000 0.354 202 H C -1.430 173.886 175.328 -0.019 0.000 1.252 202 H CA -1.048 54.989 56.048 -0.019 0.000 1.117 202 H CB 1.678 31.424 29.762 -0.027 0.000 1.857 202 H HN 0.195 nan 8.280 nan 0.000 0.547 203 V N -0.074 119.883 119.914 0.072 0.000 2.876 203 V HA 0.757 4.876 4.120 -0.000 0.000 0.312 203 V C 0.562 176.696 176.094 0.067 0.000 1.085 203 V CA -0.804 61.514 62.300 0.031 0.000 0.945 203 V CB 1.481 33.311 31.823 0.012 0.000 1.017 203 V HN 1.209 nan 8.190 nan 0.000 0.428 204 A N 2.618 125.470 122.820 0.055 0.000 2.520 204 A HA 0.276 4.596 4.320 -0.000 0.000 0.235 204 A C 1.265 178.861 177.584 0.021 0.000 1.065 204 A CA 0.098 52.162 52.037 0.046 0.000 0.764 204 A CB -0.047 18.978 19.000 0.041 0.000 1.002 204 A HN 0.914 nan 8.150 nan 0.000 0.502 205 R N 0.899 121.405 120.500 0.010 0.000 2.193 205 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 205 R C 2.231 178.523 176.300 -0.013 0.000 1.110 205 R CA 1.522 57.619 56.100 -0.006 0.000 0.988 205 R CB -0.202 30.090 30.300 -0.013 0.000 0.871 205 R HN 0.940 nan 8.270 nan 0.000 0.458 206 S N 0.102 115.799 115.700 -0.005 0.000 2.453 206 S HA -0.077 4.392 4.470 -0.000 0.000 0.231 206 S C 1.385 175.963 174.600 -0.036 0.000 1.005 206 S CA 0.849 59.044 58.200 -0.009 0.000 0.949 206 S CB 0.146 63.354 63.200 0.014 0.000 0.774 206 S HN 0.367 nan 8.310 nan 0.000 0.510 207 E N 0.660 120.837 120.200 -0.037 0.000 2.514 207 E HA 0.225 4.575 4.350 -0.000 0.000 0.215 207 E C 1.832 178.376 176.600 -0.093 0.000 0.946 207 E CA 0.250 56.603 56.400 -0.078 0.000 1.038 207 E CB 0.043 29.736 29.700 -0.011 0.000 1.069 207 E HN 0.733 nan 8.360 nan 0.000 0.503 208 M N 1.228 120.796 119.600 -0.054 0.000 2.346 208 M HA -0.127 4.352 4.480 -0.000 0.000 0.263 208 M C 1.122 177.383 176.300 -0.064 0.000 1.064 208 M CA 1.740 57.016 55.300 -0.041 0.000 1.083 208 M CB -0.375 32.222 32.600 -0.005 0.000 1.399 208 M HN -0.107 nan 8.290 nan 0.000 0.435 209 D N 0.535 120.880 120.400 -0.091 0.000 2.349 209 D HA -0.058 4.582 4.640 -0.000 0.000 0.224 209 D C 0.952 177.166 176.300 -0.142 0.000 1.029 209 D CA 0.636 54.579 54.000 -0.096 0.000 0.879 209 D CB -0.248 40.503 40.800 -0.082 0.000 0.906 209 D HN 0.527 nan 8.370 nan 0.000 0.528 210 K N -0.270 120.009 120.400 -0.202 0.000 2.374 210 K HA 0.286 4.605 4.320 -0.000 0.000 0.202 210 K C -0.374 176.129 176.600 -0.161 0.000 1.040 210 K CA -0.165 55.962 56.287 -0.267 0.000 1.085 210 K CB 2.078 34.223 32.500 -0.591 0.000 0.873 210 K HN -0.041 nan 8.250 nan 0.000 0.539 211 V N 0.483 120.325 119.914 -0.120 0.000 3.087 211 V HA 0.464 4.583 4.120 -0.000 0.000 0.306 211 V C -1.854 174.175 176.094 -0.108 0.000 1.187 211 V CA -0.937 61.303 62.300 -0.101 0.000 0.999 211 V CB 2.291 34.059 31.823 -0.091 0.000 1.049 211 V HN 0.111 nan 8.190 nan 0.000 0.431 212 R N 3.306 123.733 120.500 -0.121 0.000 2.628 212 R HA 0.841 5.181 4.340 -0.000 0.000 0.288 212 R C -2.188 173.973 176.300 -0.231 0.000 0.980 212 R CA -0.426 55.547 56.100 -0.211 0.000 0.891 212 R CB 2.319 32.476 30.300 -0.239 0.000 1.188 212 R HN 0.569 nan 8.270 nan 0.000 0.450 213 V N 4.739 124.453 119.914 -0.332 0.000 2.540 213 V HA 0.557 4.677 4.120 -0.000 0.000 0.302 213 V C -0.946 174.957 176.094 -0.318 0.000 1.035 213 V CA -0.608 61.574 62.300 -0.196 0.000 0.873 213 V CB 1.644 33.378 31.823 -0.148 0.000 0.992 213 V HN 0.594 nan 8.190 nan 0.000 0.428 214 F N 2.043 122.061 119.950 0.113 0.000 2.495 214 F HA 0.512 5.039 4.527 -0.001 0.000 0.327 214 F C 0.285 176.219 175.800 0.225 0.000 1.103 214 F CA -0.457 57.608 58.000 0.109 0.000 0.949 214 F CB 1.901 40.950 39.000 0.080 0.000 1.142 214 F HN 0.387 nan 8.300 nan 0.000 0.457 215 Q N 2.422 122.402 119.800 0.300 0.000 2.303 215 Q HA 0.649 4.989 4.340 -0.000 0.000 0.257 215 Q C -0.918 175.112 176.000 0.049 0.000 0.941 215 Q CA -0.778 55.073 55.803 0.080 0.000 0.931 215 Q CB 1.437 30.197 28.738 0.037 0.000 1.215 215 Q HN 0.805 nan 8.270 nan 0.000 0.437 216 A N 3.928 126.745 122.820 -0.006 0.000 2.320 216 A HA 0.485 4.804 4.320 -0.000 0.000 0.287 216 A C -0.174 177.390 177.584 -0.034 0.000 1.181 216 A CA -0.195 51.865 52.037 0.039 0.000 0.831 216 A CB 0.899 20.016 19.000 0.194 0.000 1.102 216 A HN 0.767 nan 8.150 nan 0.000 0.513 226 S N 0.659 116.463 115.700 0.175 0.000 2.541 226 S HA 0.744 5.214 4.470 -0.000 0.000 0.280 226 S C -0.820 173.831 174.600 0.084 0.000 1.112 226 S CA -0.665 57.619 58.200 0.141 0.000 0.925 226 S CB 1.548 64.758 63.200 0.018 0.000 1.067 226 S HN 1.729 nan 8.310 nan 0.000 0.479 227 V N 3.781 123.625 119.914 -0.116 0.000 2.585 227 V HA 0.312 4.432 4.120 -0.000 0.000 0.296 227 V C 0.984 176.747 176.094 -0.552 0.000 1.035 227 V CA 0.871 62.849 62.300 -0.537 0.000 1.084 227 V CB 0.772 32.199 31.823 -0.660 0.000 0.953 227 V HN 1.284 nan 8.190 nan 0.000 0.483 228 V N 4.865 124.478 119.914 -0.501 0.000 3.151 228 V HA 0.465 4.585 4.120 -0.000 0.000 0.241 228 V C 0.474 176.395 176.094 -0.288 0.000 1.173 228 V CA 0.190 62.159 62.300 -0.552 0.000 1.154 228 V CB -0.188 31.401 31.823 -0.389 0.000 0.898 228 V HN 0.580 nan 8.190 nan 0.000 0.473 229 L N 0.568 121.645 121.223 -0.243 0.000 2.388 229 L HA 0.930 5.269 4.340 -0.000 0.000 0.264 229 L C 0.065 176.846 176.870 -0.148 0.000 0.998 229 L CA 0.099 54.892 54.840 -0.078 0.000 0.817 229 L CB 1.891 43.914 42.059 -0.059 0.000 1.338 229 L HN 0.442 nan 8.230 nan 0.000 0.414 230 G N 1.541 110.330 108.800 -0.019 0.000 2.336 230 G HA2 0.243 4.202 3.960 -0.000 0.000 0.286 230 G HA3 0.243 4.202 3.960 -0.000 0.000 0.286 230 G C -3.261 171.661 174.900 0.037 0.000 1.269 230 G CA -0.768 44.299 45.100 -0.055 0.000 0.873 230 G HN 0.240 nan 8.290 nan 0.000 0.494 231 P HA 0.241 nan 4.420 nan 0.000 0.260 231 P C -0.063 177.298 177.300 0.101 0.000 1.172 231 P CA 0.709 63.827 63.100 0.030 0.000 0.760 231 P CB 0.386 32.090 31.700 0.006 0.000 0.773 232 K N 0.736 121.180 120.400 0.072 0.000 2.975 232 K HA -0.197 4.123 4.320 -0.000 0.000 0.257 232 K C -0.976 175.690 176.600 0.111 0.000 1.005 232 K CA 1.060 57.385 56.287 0.064 0.000 0.738 232 K CB -1.892 30.641 32.500 0.055 0.000 1.236 232 K HN 0.591 nan 8.250 nan 0.000 0.483 233 W N -0.200 121.072 121.300 -0.047 0.000 1.982 233 W HA 0.237 4.896 4.660 -0.001 0.000 0.299 233 W C -2.076 174.417 176.519 -0.044 0.000 1.011 233 W CA -1.145 56.175 57.345 -0.042 0.000 1.324 233 W CB 1.426 30.854 29.460 -0.054 0.000 1.372 233 W HN -0.130 nan 8.180 nan 0.000 0.323 234 P HA 0.071 nan 4.420 nan 0.000 0.245 234 P C 0.208 177.558 177.300 0.083 0.000 1.203 234 P CA 0.808 63.944 63.100 0.061 0.000 0.792 234 P CB 0.948 32.649 31.700 0.003 0.000 0.997 235 S N -1.101 114.637 115.700 0.063 0.000 2.564 235 S HA 0.511 4.981 4.470 -0.000 0.000 0.274 235 S C -1.332 173.357 174.600 0.148 0.000 1.124 235 S CA -0.710 57.530 58.200 0.067 0.000 0.869 235 S CB 2.010 65.156 63.200 -0.090 0.000 1.105 235 S HN 0.131 nan 8.310 nan 0.000 0.472 236 H N 0.646 119.742 119.070 0.044 0.000 2.947 236 H HA 0.297 4.853 4.556 -0.001 0.000 0.354 236 H C -1.770 173.610 175.328 0.087 0.000 1.085 236 H CA -0.465 55.661 56.048 0.129 0.000 1.253 236 H CB 1.279 31.192 29.762 0.253 0.000 1.757 236 H HN 0.790 nan 8.280 nan 0.000 0.523 237 Y N 4.611 124.722 120.300 -0.314 0.000 2.402 237 Y HA 0.140 4.689 4.550 -0.000 0.000 0.333 237 Y C 0.510 176.277 175.900 -0.222 0.000 1.076 237 Y CA -0.466 57.518 58.100 -0.193 0.000 1.299 237 Y CB 0.850 39.208 38.460 -0.170 0.000 1.197 237 Y HN 0.299 nan 8.280 nan 0.000 0.517 238 L N 4.901 126.236 121.223 0.186 0.000 2.357 238 L HA 0.389 4.729 4.340 -0.000 0.000 0.273 238 L C -0.306 176.592 176.870 0.047 0.000 1.080 238 L CA -0.835 54.120 54.840 0.191 0.000 0.803 238 L CB 0.808 43.013 42.059 0.243 0.000 1.174 238 L HN 0.513 nan 8.230 nan 0.000 0.443 239 M N 4.040 123.668 119.600 0.046 0.000 2.055 239 M HA 0.408 4.888 4.480 -0.000 0.000 0.347 239 M C -0.946 175.282 176.300 -0.121 0.000 1.123 239 M CA -0.378 54.894 55.300 -0.047 0.000 1.035 239 M CB 0.926 33.529 32.600 0.005 0.000 1.484 239 M HN 0.199 nan 8.290 nan 0.000 0.428 240 V N 5.947 125.678 119.914 -0.304 0.000 2.531 240 V HA 0.537 4.657 4.120 -0.000 0.000 0.301 240 V C -2.109 173.767 176.094 -0.364 0.000 1.034 240 V CA -1.252 60.795 62.300 -0.421 0.000 0.865 240 V CB 2.250 33.686 31.823 -0.645 0.000 0.995 240 V HN 0.616 nan 8.190 nan 0.000 0.424 241 P HA 0.360 nan 4.420 nan 0.000 0.281 241 P C 0.259 177.703 177.300 0.240 0.000 1.249 241 P CA -0.014 63.078 63.100 -0.014 0.000 0.810 241 P CB 1.342 32.963 31.700 -0.132 0.000 1.008 242 G N 0.040 109.044 108.800 0.339 0.000 2.683 242 G HA2 0.424 4.383 3.960 -0.000 0.000 0.260 242 G HA3 0.424 4.383 3.960 -0.000 0.000 0.260 242 G C 0.446 175.437 174.900 0.152 0.000 1.238 242 G CA 0.275 45.540 45.100 0.276 0.000 0.934 242 G HN 0.864 nan 8.290 nan 0.000 0.534 243 G N -0.451 108.405 108.800 0.093 0.000 2.512 243 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.240 243 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.240 243 G C -0.002 174.950 174.900 0.086 0.000 1.246 243 G CA 0.318 45.457 45.100 0.065 0.000 0.919 243 G HN 1.209 nan 8.290 nan 0.000 0.577 244 K N 0.853 121.306 120.400 0.088 0.000 2.183 244 K HA 0.702 5.022 4.320 -0.000 0.000 0.274 244 K C -0.643 176.068 176.600 0.184 0.000 1.009 244 K CA -0.547 55.801 56.287 0.102 0.000 0.888 244 K CB 2.239 34.772 32.500 0.054 0.000 1.078 244 K HN 0.952 nan 8.250 nan 0.000 0.459 245 H N 1.164 120.267 119.070 0.055 0.000 3.012 245 H HA 0.458 5.014 4.556 -0.000 0.000 0.367 245 H C -1.678 173.673 175.328 0.038 0.000 1.211 245 H CA -0.659 55.418 56.048 0.050 0.000 1.139 245 H CB 1.895 31.699 29.762 0.071 0.000 1.838 245 H HN 0.808 nan 8.280 nan 0.000 0.550 246 N N 2.592 120.950 118.700 -0.571 0.000 2.454 246 N HA 0.338 5.078 4.740 -0.000 0.000 0.291 246 N C -1.474 173.727 175.510 -0.515 0.000 1.079 246 N CA -0.561 52.270 53.050 -0.366 0.000 0.893 246 N CB 2.144 40.516 38.487 -0.193 0.000 1.512 246 N HN 0.409 nan 8.380 nan 0.000 0.497 247 M N 1.940 121.355 119.600 -0.309 0.000 2.181 247 M HA 0.414 4.894 4.480 -0.000 0.000 0.323 247 M C -1.597 174.479 176.300 -0.372 0.000 1.004 247 M CA -0.604 54.502 55.300 -0.323 0.000 0.941 247 M CB 0.848 33.343 32.600 -0.174 0.000 1.579 247 M HN 0.384 nan 8.290 nan 0.000 0.427 248 D N 4.684 124.835 120.400 -0.415 0.000 2.177 248 D HA 0.464 5.104 4.640 -0.000 0.000 0.247 248 D C -1.251 174.701 176.300 -0.579 0.000 1.063 248 D CA 0.405 54.194 54.000 -0.352 0.000 0.867 248 D CB 1.019 41.702 40.800 -0.196 0.000 1.168 248 D HN 0.354 nan 8.370 nan 0.000 0.445 249 F N 0.869 120.737 119.950 -0.137 0.000 2.561 249 F HA 0.455 4.981 4.527 -0.000 0.000 0.321 249 F C -0.435 175.193 175.800 -0.287 0.000 1.065 249 F CA -0.969 56.987 58.000 -0.072 0.000 0.934 249 F CB 1.392 40.381 39.000 -0.019 0.000 1.215 249 F HN 0.156 nan 8.300 nan 0.000 0.471 250 Y N 0.880 121.339 120.300 0.263 0.000 2.391 250 Y HA 0.659 5.209 4.550 -0.000 0.000 0.341 250 Y C -0.770 175.236 175.900 0.177 0.000 0.965 250 Y CA -1.093 57.101 58.100 0.157 0.000 1.067 250 Y CB 2.074 40.595 38.460 0.102 0.000 1.199 250 Y HN 0.218 nan 8.280 nan 0.000 0.450 251 V N 3.513 123.511 119.914 0.140 0.000 2.487 251 V HA 0.441 4.561 4.120 -0.000 0.000 0.298 251 V C -0.690 175.402 176.094 -0.004 0.000 1.028 251 V CA -1.076 61.210 62.300 -0.024 0.000 0.860 251 V CB 1.571 33.183 31.823 -0.352 0.000 0.991 251 V HN 0.775 nan 8.190 nan 0.000 0.427 252 E N 3.650 123.870 120.200 0.033 0.000 2.212 252 E HA 0.837 5.187 4.350 -0.000 0.000 0.268 252 E C -0.544 176.032 176.600 -0.039 0.000 0.902 252 E CA -0.882 55.537 56.400 0.031 0.000 0.779 252 E CB 2.364 32.133 29.700 0.115 0.000 1.172 252 E HN 0.709 nan 8.360 nan 0.000 0.409 253 A N 3.013 125.802 122.820 -0.052 0.000 2.302 253 A HA 0.416 4.736 4.320 -0.000 0.000 0.285 253 A C 0.437 177.982 177.584 -0.064 0.000 1.105 253 A CA -0.717 51.282 52.037 -0.064 0.000 0.816 253 A CB 0.237 19.201 19.000 -0.061 0.000 1.067 253 A HN 0.767 nan 8.150 nan 0.000 0.489 254 L N 0.286 121.467 121.223 -0.069 0.000 2.858 254 L HA 0.465 4.805 4.340 -0.000 0.000 0.251 254 L C 0.588 177.432 176.870 -0.043 0.000 1.149 254 L CA 0.497 55.306 54.840 -0.052 0.000 0.955 254 L CB 0.001 42.029 42.059 -0.051 0.000 1.289 254 L HN 0.739 nan 8.230 nan 0.000 0.542 255 A N -0.240 122.549 122.820 -0.051 0.000 2.517 255 A HA 0.651 4.970 4.320 -0.000 0.000 0.297 255 A C -1.207 176.458 177.584 0.136 0.000 1.050 255 A CA -0.411 51.653 52.037 0.046 0.000 0.694 255 A CB 0.912 19.900 19.000 -0.020 0.000 1.277 255 A HN -0.025 nan 8.150 nan 0.000 0.400 256 F N 1.862 121.951 119.950 0.231 0.000 2.410 256 F HA 0.427 4.954 4.527 -0.001 0.000 0.334 256 F C -1.654 174.308 175.800 0.269 0.000 1.134 256 F CA -1.231 56.907 58.000 0.231 0.000 1.227 256 F CB 0.608 39.780 39.000 0.287 0.000 1.194 256 F HN 0.316 nan 8.300 nan 0.000 0.571 257 P HA 0.016 nan 4.420 nan 0.000 0.266 257 P C -0.980 176.380 177.300 0.100 0.000 1.193 257 P CA 0.453 63.504 63.100 -0.082 0.000 0.770 257 P CB 0.542 32.111 31.700 -0.218 0.000 0.836 258 D N -1.028 119.438 120.400 0.110 0.000 2.692 258 D HA 0.050 4.690 4.640 -0.000 0.000 0.290 258 D C 0.907 177.276 176.300 0.116 0.000 1.281 258 D CA -0.301 53.790 54.000 0.151 0.000 0.804 258 D CB 1.069 42.024 40.800 0.258 0.000 1.331 258 D HN 0.250 nan 8.370 nan 0.000 0.432 259 T N -0.694 113.925 114.554 0.108 0.000 2.760 259 T HA -0.191 4.158 4.350 -0.000 0.000 0.269 259 T C 1.037 175.800 174.700 0.105 0.000 1.047 259 T CA 2.474 64.627 62.100 0.088 0.000 1.139 259 T CB -0.251 68.667 68.868 0.084 0.000 0.855 259 T HN 0.479 nan 8.240 nan 0.000 0.471 260 D N -1.593 118.892 120.400 0.142 0.000 2.340 260 D HA 0.030 4.670 4.640 -0.000 0.000 0.220 260 D C 0.075 176.521 176.300 0.242 0.000 1.039 260 D CA -0.152 53.940 54.000 0.152 0.000 0.866 260 D CB -0.010 40.865 40.800 0.126 0.000 0.913 260 D HN 0.462 nan 8.370 nan 0.000 0.523 261 F N 1.133 121.107 119.950 0.040 0.000 3.164 261 F HA 0.328 4.855 4.527 0.000 0.000 0.375 261 F C -2.521 173.295 175.800 0.027 0.000 1.257 261 F CA -2.813 55.207 58.000 0.033 0.000 1.171 261 F CB 1.902 40.925 39.000 0.037 0.000 1.588 261 F HN -0.353 nan 8.300 nan 0.000 0.604 262 P HA 0.108 nan 4.420 nan 0.000 0.221 262 P C 0.896 177.852 177.300 -0.573 0.000 1.145 262 P CA 2.428 65.377 63.100 -0.253 0.000 0.795 262 P CB 0.249 31.897 31.700 -0.087 0.000 0.775 263 G N -2.836 105.188 108.800 -1.293 0.000 2.159 263 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.170 263 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.170 263 G C -0.259 174.257 174.900 -0.640 0.000 1.007 263 G CA -0.607 43.687 45.100 -1.344 0.000 0.672 263 G HN 0.232 nan 8.290 nan 0.000 0.507 264 L N 1.489 122.529 121.223 -0.305 0.000 2.322 264 L HA 0.701 5.040 4.340 -0.000 0.000 0.281 264 L C -0.067 176.930 176.870 0.210 0.000 1.014 264 L CA -1.145 53.671 54.840 -0.040 0.000 0.815 264 L CB 1.584 43.619 42.059 -0.040 0.000 1.247 264 L HN -0.039 nan 8.230 nan 0.000 0.421 265 I N 2.039 122.732 120.570 0.206 0.000 2.466 265 I HA 0.333 4.502 4.170 -0.000 0.000 0.289 265 I C -0.296 175.948 176.117 0.211 0.000 1.026 265 I CA -0.223 61.210 61.300 0.221 0.000 1.078 265 I CB 2.097 40.223 38.000 0.211 0.000 1.249 265 I HN 0.507 nan 8.210 nan 0.000 0.429 266 T N 7.184 121.817 114.554 0.132 0.000 2.797 266 T HA 0.667 5.017 4.350 -0.000 0.000 0.279 266 T C -0.064 174.662 174.700 0.043 0.000 0.991 266 T CA -0.473 61.673 62.100 0.077 0.000 0.979 266 T CB 1.557 70.445 68.868 0.034 0.000 0.943 266 T HN 0.269 nan 8.240 nan 0.000 0.444 267 L N 2.959 124.196 121.223 0.024 0.000 2.341 267 L HA 0.639 4.979 4.340 -0.000 0.000 0.278 267 L C -0.027 176.744 176.870 -0.164 0.000 1.005 267 L CA -0.828 53.977 54.840 -0.059 0.000 0.818 267 L CB 2.038 44.110 42.059 0.022 0.000 1.259 267 L HN 0.586 nan 8.230 nan 0.000 0.418 268 T N 2.977 117.325 114.554 -0.344 0.000 2.861 268 T HA 0.503 4.853 4.350 -0.000 0.000 0.287 268 T C -0.736 173.676 174.700 -0.479 0.000 1.003 268 T CA -0.382 61.449 62.100 -0.449 0.000 0.977 268 T CB 2.415 70.931 68.868 -0.585 0.000 0.996 268 T HN 0.285 nan 8.240 nan 0.000 0.448 269 I N 2.675 123.124 120.570 -0.203 0.000 2.321 269 I HA 0.494 4.663 4.170 -0.000 0.000 0.291 269 I C -0.391 175.784 176.117 0.097 0.000 0.998 269 I CA 0.138 61.431 61.300 -0.012 0.000 1.227 269 I CB 0.976 39.025 38.000 0.081 0.000 1.368 269 I HN 0.516 nan 8.210 nan 0.000 0.466 270 S N 7.594 123.452 115.700 0.263 0.000 2.454 270 S HA 0.571 5.041 4.470 -0.000 0.000 0.306 270 S C -0.817 173.968 174.600 0.309 0.000 1.100 270 S CA -0.535 57.831 58.200 0.278 0.000 1.087 270 S CB 1.395 64.766 63.200 0.286 0.000 1.019 270 S HN 0.580 nan 8.310 nan 0.000 0.480 271 L N 4.825 126.265 121.223 0.362 0.000 2.275 271 L HA 0.590 4.930 4.340 -0.000 0.000 0.288 271 L C -1.366 175.701 176.870 0.329 0.000 1.046 271 L CA -0.069 55.009 54.840 0.397 0.000 0.805 271 L CB 0.196 42.532 42.059 0.462 0.000 1.193 271 L HN 0.580 nan 8.230 nan 0.000 0.426 272 L N 4.020 125.431 121.223 0.312 0.000 2.346 272 L HA 0.467 4.807 4.340 -0.000 0.000 0.276 272 L C -0.764 176.228 176.870 0.202 0.000 1.006 272 L CA -0.875 54.100 54.840 0.226 0.000 0.817 272 L CB 1.803 43.970 42.059 0.180 0.000 1.272 272 L HN 0.509 nan 8.230 nan 0.000 0.421 273 D N 1.367 121.834 120.400 0.113 0.000 2.347 273 D HA 0.164 4.804 4.640 -0.000 0.000 0.235 273 D C 0.491 176.702 176.300 -0.148 0.000 1.149 273 D CA -0.184 53.749 54.000 -0.111 0.000 0.850 273 D CB 1.254 42.035 40.800 -0.032 0.000 1.061 273 D HN 0.605 nan 8.370 nan 0.000 0.487 274 T N -0.039 114.366 114.554 -0.247 0.000 3.269 274 T HA 0.166 4.515 4.350 -0.000 0.000 0.269 274 T C 1.321 175.899 174.700 -0.203 0.000 0.993 274 T CA -0.483 61.514 62.100 -0.171 0.000 0.909 274 T CB 0.069 68.851 68.868 -0.142 0.000 1.115 274 T HN 0.092 nan 8.240 nan 0.000 0.543 275 S N 1.944 117.497 115.700 -0.246 0.000 2.402 275 S HA 0.056 4.526 4.470 -0.000 0.000 0.229 275 S C 0.676 175.191 174.600 -0.142 0.000 1.021 275 S CA 0.564 58.633 58.200 -0.219 0.000 0.974 275 S CB -0.230 62.836 63.200 -0.224 0.000 0.800 275 S HN 0.618 nan 8.310 nan 0.000 0.484 276 N N 1.281 119.914 118.700 -0.112 0.000 2.444 276 N HA 0.286 5.026 4.740 -0.000 0.000 0.262 276 N C 0.392 175.860 175.510 -0.069 0.000 0.974 276 N CA -0.265 52.736 53.050 -0.081 0.000 0.933 276 N CB 0.965 39.414 38.487 -0.063 0.000 1.137 276 N HN -0.063 nan 8.380 nan 0.000 0.498 277 L N 1.353 122.538 121.223 -0.063 0.000 2.217 277 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 277 L C 1.166 178.010 176.870 -0.042 0.000 1.107 277 L CA 1.388 56.196 54.840 -0.054 0.000 0.783 277 L CB -0.517 41.511 42.059 -0.050 0.000 0.919 277 L HN 0.619 nan 8.230 nan 0.000 0.442 278 E N 0.240 120.417 120.200 -0.039 0.000 2.368 278 E HA 0.295 4.644 4.350 -0.000 0.000 0.188 278 E C 0.032 176.616 176.600 -0.027 0.000 1.061 278 E CA 0.089 56.472 56.400 -0.030 0.000 0.933 278 E CB 0.296 29.980 29.700 -0.027 0.000 1.091 278 E HN 0.350 nan 8.360 nan 0.000 0.458 279 L N 0.349 121.554 121.223 -0.030 0.000 2.506 279 L HA 0.382 4.722 4.340 -0.000 0.000 0.257 279 L C -2.494 174.362 176.870 -0.024 0.000 0.964 279 L CA -2.237 52.589 54.840 -0.025 0.000 0.836 279 L CB 2.006 44.050 42.059 -0.025 0.000 1.384 279 L HN -0.198 nan 8.230 nan 0.000 0.410 280 P HA 0.057 nan 4.420 nan 0.000 0.270 280 P C -0.888 176.407 177.300 -0.008 0.000 1.227 280 P CA -0.428 62.667 63.100 -0.009 0.000 0.788 280 P CB 0.302 32.000 31.700 -0.004 0.000 0.926 281 E N 0.410 120.612 120.200 0.003 0.000 2.404 281 E HA 0.395 4.744 4.350 -0.000 0.000 0.261 281 E C -0.849 175.764 176.600 0.023 0.000 1.074 281 E CA -0.759 55.648 56.400 0.012 0.000 0.917 281 E CB 0.394 30.119 29.700 0.043 0.000 0.965 281 E HN 0.377 nan 8.360 nan 0.000 0.433 282 A N 2.981 125.821 122.820 0.033 0.000 2.335 282 A HA 0.402 4.722 4.320 -0.000 0.000 0.304 282 A C -0.548 177.086 177.584 0.083 0.000 1.118 282 A CA -0.911 51.154 52.037 0.046 0.000 0.757 282 A CB 1.388 20.411 19.000 0.037 0.000 1.188 282 A HN 0.426 nan 8.150 nan 0.000 0.460 283 V N 3.502 123.465 119.914 0.082 0.000 2.521 283 V HA 0.104 4.224 4.120 -0.000 0.000 0.286 283 V C 1.070 177.247 176.094 0.138 0.000 1.034 283 V CA 0.150 62.518 62.300 0.113 0.000 1.045 283 V CB 1.017 32.888 31.823 0.081 0.000 0.974 283 V HN 0.711 nan 8.190 nan 0.000 0.480 284 V N 4.479 124.513 119.914 0.200 0.000 3.263 284 V HA 0.336 4.456 4.120 -0.000 0.000 0.248 284 V C 0.110 176.388 176.094 0.306 0.000 1.145 284 V CA 0.546 62.982 62.300 0.228 0.000 1.107 284 V CB 0.003 31.984 31.823 0.264 0.000 0.797 284 V HN 0.741 nan 8.190 nan 0.000 0.467 285 F N 0.205 120.220 119.950 0.109 0.000 2.669 285 F HA 0.562 5.088 4.527 -0.001 0.000 0.315 285 F C -1.428 174.435 175.800 0.105 0.000 1.109 285 F CA -0.493 57.563 58.000 0.093 0.000 1.028 285 F CB 1.351 40.405 39.000 0.089 0.000 1.287 285 F HN -0.116 nan 8.300 nan 0.000 0.452 286 Q N 3.998 123.401 119.800 -0.661 0.000 2.372 286 Q HA 0.450 4.790 4.340 -0.000 0.000 0.273 286 Q C -2.000 173.467 176.000 -0.889 0.000 1.078 286 Q CA -1.060 54.413 55.803 -0.551 0.000 0.806 286 Q CB 2.805 31.425 28.738 -0.196 0.000 1.332 286 Q HN 0.639 nan 8.270 nan 0.000 0.435 287 D N 0.146 120.210 120.400 -0.561 0.000 2.596 287 D HA 0.616 5.256 4.640 -0.000 0.000 0.234 287 D C -1.518 174.674 176.300 -0.181 0.000 1.181 287 D CA -0.205 53.589 54.000 -0.344 0.000 0.856 287 D CB 2.126 42.820 40.800 -0.177 0.000 1.498 287 D HN 0.542 nan 8.370 nan 0.000 0.446 288 S N -0.583 115.036 115.700 -0.135 0.000 2.625 288 S HA 0.754 5.224 4.470 -0.000 0.000 0.271 288 S C -1.021 173.504 174.600 -0.125 0.000 1.161 288 S CA -0.791 57.333 58.200 -0.126 0.000 0.820 288 S CB 1.149 64.274 63.200 -0.125 0.000 1.137 288 S HN 0.788 nan 8.310 nan 0.000 0.470 289 V N -1.087 118.736 119.914 -0.151 0.000 2.656 289 V HA 0.897 5.016 4.120 -0.000 0.000 0.307 289 V C -0.890 175.047 176.094 -0.261 0.000 1.051 289 V CA -0.791 61.355 62.300 -0.257 0.000 0.893 289 V CB 1.245 32.836 31.823 -0.387 0.000 0.999 289 V HN 0.852 nan 8.190 nan 0.000 0.426 290 V N 5.415 125.185 119.914 -0.239 0.000 2.370 290 V HA 0.549 4.669 4.120 -0.000 0.000 0.279 290 V C -0.346 175.671 176.094 -0.129 0.000 1.029 290 V CA -0.150 62.098 62.300 -0.087 0.000 0.870 290 V CB 0.800 32.654 31.823 0.052 0.000 0.984 290 V HN 0.782 nan 8.190 nan 0.000 0.451 291 F N 3.404 123.410 119.950 0.093 0.000 2.432 291 F HA 0.668 5.195 4.527 0.000 0.000 0.329 291 F C 0.511 176.259 175.800 -0.086 0.000 1.076 291 F CA -0.621 57.429 58.000 0.083 0.000 1.018 291 F CB 1.427 40.456 39.000 0.047 0.000 1.201 291 F HN 0.335 nan 8.300 nan 0.000 0.489 292 R N 1.485 121.967 120.500 -0.030 0.000 2.494 292 R HA 0.618 4.958 4.340 -0.000 0.000 0.305 292 R C -1.651 174.602 176.300 -0.077 0.000 0.959 292 R CA -0.661 55.202 56.100 -0.395 0.000 0.864 292 R CB 1.443 30.973 30.300 -1.284 0.000 1.159 292 R HN 0.553 nan 8.270 nan 0.000 0.446 293 V N 4.044 123.890 119.914 -0.114 0.000 2.521 293 V HA 0.158 4.278 4.120 -0.000 0.000 0.286 293 V C 0.687 176.694 176.094 -0.145 0.000 1.034 293 V CA -0.240 62.022 62.300 -0.065 0.000 1.045 293 V CB 0.906 32.715 31.823 -0.023 0.000 0.974 293 V HN 0.936 nan 8.190 nan 0.000 0.480 294 A N 9.142 131.923 122.820 -0.065 0.000 2.520 294 A HA 0.420 4.740 4.320 -0.000 0.000 0.245 294 A C -1.712 175.683 177.584 -0.316 0.000 1.072 294 A CA -0.819 51.063 52.037 -0.258 0.000 0.761 294 A CB -0.297 18.742 19.000 0.064 0.000 1.004 294 A HN 0.705 nan 8.150 nan 0.000 0.499 295 P HA 0.077 nan 4.420 nan 0.000 0.274 295 P C -0.702 176.500 177.300 -0.162 0.000 1.231 295 P CA -0.362 62.547 63.100 -0.318 0.000 0.790 295 P CB 0.545 31.959 31.700 -0.477 0.000 0.951 296 W N 4.032 125.185 121.300 -0.244 0.000 2.304 296 W HA 0.427 5.087 4.660 -0.000 0.000 0.313 296 W C -0.933 175.354 176.519 -0.386 0.000 1.323 296 W CA 0.076 57.230 57.345 -0.318 0.000 1.223 296 W CB 0.038 29.203 29.460 -0.491 0.000 1.237 296 W HN 0.183 nan 8.180 nan 0.000 0.535 297 I N 8.165 128.041 120.570 -1.158 0.000 2.509 297 I HA 0.312 4.482 4.170 -0.000 0.000 0.293 297 I C 0.266 175.687 176.117 -1.161 0.000 1.020 297 I CA -1.084 59.587 61.300 -1.049 0.000 1.088 297 I CB 1.669 39.054 38.000 -1.026 0.000 1.267 297 I HN 0.304 nan 8.210 nan 0.000 0.430 298 M N 3.671 122.828 119.600 -0.739 0.000 2.371 298 M HA 0.429 4.908 4.480 -0.000 0.000 0.301 298 M C -0.178 176.098 176.300 -0.041 0.000 1.173 298 M CA -0.478 54.559 55.300 -0.439 0.000 1.020 298 M CB 1.851 34.297 32.600 -0.258 0.000 1.490 298 M HN 0.590 nan 8.290 nan 0.000 0.485 299 T N -0.436 114.121 114.554 0.005 0.000 2.809 299 T HA 0.579 4.928 4.350 -0.000 0.000 0.284 299 T C -2.691 171.998 174.700 -0.019 0.000 0.992 299 T CA -1.819 60.276 62.100 -0.008 0.000 0.957 299 T CB 1.055 69.868 68.868 -0.091 0.000 0.942 299 T HN 0.341 nan 8.240 nan 0.000 0.439 300 P HA 0.192 nan 4.420 nan 0.000 0.271 300 P C 0.402 177.687 177.300 -0.026 0.000 1.233 300 P CA -0.413 62.658 63.100 -0.049 0.000 0.789 300 P CB 0.667 32.300 31.700 -0.112 0.000 0.951 301 N N -0.172 118.547 118.700 0.032 0.000 2.513 301 N HA -0.103 4.636 4.740 -0.000 0.000 0.187 301 N C 1.406 176.945 175.510 0.049 0.000 1.056 301 N CA 1.483 54.578 53.050 0.075 0.000 0.907 301 N CB -0.846 37.723 38.487 0.136 0.000 0.954 301 N HN 0.575 nan 8.380 nan 0.000 0.445 302 T N -3.204 111.357 114.554 0.012 0.000 3.081 302 T HA 0.101 4.451 4.350 -0.000 0.000 0.255 302 T C 0.727 175.403 174.700 -0.039 0.000 1.113 302 T CA -0.004 62.109 62.100 0.022 0.000 1.082 302 T CB 0.257 69.155 68.868 0.051 0.000 0.939 302 T HN -0.118 nan 8.240 nan 0.000 0.506 303 Q N 2.675 122.404 119.800 -0.120 0.000 2.286 303 Q HA 0.338 4.678 4.340 -0.000 0.000 0.257 303 Q C -2.649 173.286 176.000 -0.108 0.000 0.941 303 Q CA -2.668 53.013 55.803 -0.203 0.000 0.912 303 Q CB 1.016 29.526 28.738 -0.380 0.000 1.192 303 Q HN 0.229 nan 8.270 nan 0.000 0.410 304 P HA 0.034 nan 4.420 nan 0.000 0.263 304 P C -2.377 174.899 177.300 -0.039 0.000 1.195 304 P CA -0.742 62.331 63.100 -0.046 0.000 0.762 304 P CB -0.057 31.616 31.700 -0.045 0.000 0.799 305 P HA 0.155 nan 4.420 nan 0.000 0.280 305 P C -0.126 177.176 177.300 0.003 0.000 1.244 305 P CA 0.030 63.137 63.100 0.012 0.000 0.784 305 P CB 1.321 33.042 31.700 0.034 0.000 0.913 306 Q N 0.754 120.560 119.800 0.010 0.000 2.402 306 Q HA 0.152 4.492 4.340 -0.000 0.000 0.231 306 Q C 0.306 176.304 176.000 -0.003 0.000 0.888 306 Q CA 0.401 56.205 55.803 0.001 0.000 0.938 306 Q CB 1.028 29.764 28.738 -0.003 0.000 1.086 306 Q HN 0.580 nan 8.270 nan 0.000 0.543 307 E N 0.188 120.391 120.200 0.004 0.000 2.347 307 E HA 0.327 4.677 4.350 -0.000 0.000 0.285 307 E C -1.733 174.792 176.600 -0.126 0.000 0.925 307 E CA -0.410 55.939 56.400 -0.085 0.000 0.779 307 E CB 2.012 31.654 29.700 -0.096 0.000 1.233 307 E HN -0.132 nan 8.360 nan 0.000 0.414 308 V N 3.861 123.653 119.914 -0.202 0.000 2.547 308 V HA 0.488 4.607 4.120 -0.000 0.000 0.299 308 V C -1.059 174.873 176.094 -0.270 0.000 1.040 308 V CA -0.559 61.675 62.300 -0.111 0.000 0.913 308 V CB 1.142 32.943 31.823 -0.035 0.000 0.992 308 V HN 0.554 nan 8.190 nan 0.000 0.449 309 Y N 1.898 122.254 120.300 0.092 0.000 2.409 309 Y HA 0.818 5.367 4.550 -0.001 0.000 0.343 309 Y C 0.291 176.215 175.900 0.039 0.000 0.973 309 Y CA -0.536 57.620 58.100 0.093 0.000 1.064 309 Y CB 2.085 40.636 38.460 0.153 0.000 1.207 309 Y HN 0.804 nan 8.280 nan 0.000 0.452 310 A N 0.947 123.849 122.820 0.136 0.000 2.566 310 A HA 0.766 5.086 4.320 -0.000 0.000 0.292 310 A C -1.142 176.422 177.584 -0.033 0.000 1.112 310 A CA -0.723 51.362 52.037 0.079 0.000 0.707 310 A CB 0.977 20.060 19.000 0.138 0.000 1.302 310 A HN 1.151 nan 8.150 nan 0.000 0.409 311 C N 0.596 119.833 119.300 -0.106 0.000 3.328 311 C HA 0.692 5.152 4.460 -0.000 0.000 0.230 311 C C 0.597 175.461 174.990 -0.211 0.000 1.232 311 C CA 0.057 58.951 59.018 -0.207 0.000 1.431 311 C CB -0.709 26.819 27.740 -0.354 0.000 1.818 311 C HN 0.949 nan 8.230 nan 0.000 0.484 312 S N 0.502 116.188 115.700 -0.023 0.000 2.629 312 S HA 0.307 4.777 4.470 -0.000 0.000 0.236 312 S C 0.279 175.021 174.600 0.238 0.000 1.010 312 S CA -0.229 58.052 58.200 0.135 0.000 0.981 312 S CB -0.093 63.331 63.200 0.374 0.000 0.919 312 S HN 0.667 nan 8.310 nan 0.000 0.514 313 I N 4.784 125.422 120.570 0.114 0.000 2.577 313 I HA 0.280 4.450 4.170 -0.000 0.000 0.299 313 I C 0.154 176.399 176.117 0.214 0.000 1.157 313 I CA 0.270 61.649 61.300 0.132 0.000 1.418 313 I CB -2.027 36.009 38.000 0.060 0.000 1.467 313 I HN 0.511 nan 8.210 nan 0.000 0.624 314 F N 3.330 123.246 119.950 -0.058 0.000 3.698 314 F HA 0.338 4.865 4.527 -0.000 0.000 0.330 314 F C 1.290 177.050 175.800 -0.066 0.000 1.176 314 F CA -0.876 57.072 58.000 -0.087 0.000 0.899 314 F CB 0.936 39.846 39.000 -0.150 0.000 1.645 314 F HN 0.177 nan 8.300 nan 0.000 0.522 315 E N 1.478 121.280 120.200 -0.663 0.000 2.268 315 E HA -0.146 4.203 4.350 -0.000 0.000 0.195 315 E C 0.248 176.640 176.600 -0.347 0.000 0.995 315 E CA 0.901 57.020 56.400 -0.468 0.000 0.836 315 E CB -0.430 28.990 29.700 -0.466 0.000 0.763 315 E HN 0.568 nan 8.360 nan 0.000 0.491 316 N N -0.079 118.373 118.700 -0.413 0.000 2.297 316 N HA -0.086 4.654 4.740 -0.000 0.000 0.232 316 N C 0.308 175.885 175.510 0.111 0.000 1.311 316 N CA 0.712 53.752 53.050 -0.017 0.000 0.897 316 N CB 0.825 39.454 38.487 0.236 0.000 1.137 316 N HN 0.100 nan 8.380 nan 0.000 0.449 317 E N -2.338 117.969 120.200 0.178 0.000 2.314 317 E HA 0.017 4.367 4.350 -0.000 0.000 0.216 317 E C 0.165 176.864 176.600 0.165 0.000 1.048 317 E CA -0.181 56.314 56.400 0.159 0.000 1.575 317 E CB -0.030 29.725 29.700 0.091 0.000 3.354 317 E HN 0.592 nan 8.360 nan 0.000 1.075 318 D N 0.769 121.273 120.400 0.174 0.000 2.183 318 D HA -0.100 4.539 4.640 -0.000 0.000 0.203 318 D C 1.633 178.045 176.300 0.186 0.000 0.969 318 D CA 0.642 54.734 54.000 0.154 0.000 0.842 318 D CB -0.089 40.801 40.800 0.151 0.000 0.957 318 D HN 0.072 nan 8.370 nan 0.000 0.484 319 F N 2.111 122.145 119.950 0.140 0.000 2.043 319 F HA -0.239 4.288 4.527 -0.001 0.000 0.297 319 F C 2.268 178.121 175.800 0.089 0.000 1.121 319 F CA 1.349 59.431 58.000 0.137 0.000 1.199 319 F CB -0.452 38.693 39.000 0.241 0.000 0.968 319 F HN -0.099 nan 8.300 nan 0.000 0.478 320 L N 0.208 121.602 121.223 0.286 0.000 2.083 320 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 320 L C 2.441 179.315 176.870 0.007 0.000 1.083 320 L CA 1.812 56.736 54.840 0.140 0.000 0.752 320 L CB -0.557 41.636 42.059 0.222 0.000 0.899 320 L HN 0.193 nan 8.230 nan 0.000 0.433 321 K N -0.591 119.826 120.400 0.027 0.000 2.026 321 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 321 K C 2.149 178.717 176.600 -0.054 0.000 1.048 321 K CA 1.743 58.029 56.287 -0.001 0.000 0.929 321 K CB -0.083 32.433 32.500 0.026 0.000 0.713 321 K HN 0.309 nan 8.250 nan 0.000 0.439 322 S N 0.166 115.812 115.700 -0.089 0.000 2.359 322 S HA -0.154 4.315 4.470 -0.000 0.000 0.224 322 S C 1.972 176.456 174.600 -0.193 0.000 1.035 322 S CA 1.468 59.587 58.200 -0.135 0.000 1.018 322 S CB -0.373 62.735 63.200 -0.152 0.000 0.876 322 S HN 0.401 nan 8.310 nan 0.000 0.448 323 V N 0.530 120.267 119.914 -0.294 0.000 2.515 323 V HA -0.129 3.991 4.120 -0.000 0.000 0.250 323 V C 1.945 177.952 176.094 -0.144 0.000 1.058 323 V CA 2.191 64.337 62.300 -0.256 0.000 1.064 323 V CB -1.690 29.934 31.823 -0.331 0.000 0.675 323 V HN 0.406 nan 8.190 nan 0.000 0.461 324 T N 1.094 115.582 114.554 -0.109 0.000 2.746 324 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 324 T C 1.923 176.574 174.700 -0.081 0.000 1.039 324 T CA 2.364 64.421 62.100 -0.073 0.000 1.142 324 T CB -0.683 68.159 68.868 -0.042 0.000 0.866 324 T HN 0.717 nan 8.240 nan 0.000 0.444 325 T N 2.559 117.061 114.554 -0.086 0.000 2.746 325 T HA 0.070 4.419 4.350 -0.000 0.000 0.267 325 T C 2.012 176.635 174.700 -0.127 0.000 1.039 325 T CA 0.730 62.777 62.100 -0.089 0.000 1.142 325 T CB -0.454 68.370 68.868 -0.074 0.000 0.866 325 T HN 0.216 nan 8.240 nan 0.000 0.444 326 L N 0.777 121.918 121.223 -0.136 0.000 2.012 326 L HA -0.146 4.193 4.340 -0.000 0.000 0.210 326 L C 3.137 179.907 176.870 -0.166 0.000 1.073 326 L CA 1.453 56.195 54.840 -0.164 0.000 0.748 326 L CB -0.828 41.158 42.059 -0.122 0.000 0.891 326 L HN 0.290 nan 8.230 nan 0.000 0.431 327 A N -0.398 122.351 122.820 -0.117 0.000 1.917 327 A HA -0.327 3.993 4.320 -0.000 0.000 0.219 327 A C 2.216 179.739 177.584 -0.102 0.000 1.182 327 A CA 2.407 54.387 52.037 -0.094 0.000 0.633 327 A CB -0.532 18.422 19.000 -0.077 0.000 0.819 327 A HN 0.416 nan 8.150 nan 0.000 0.448 328 M N -0.188 119.348 119.600 -0.106 0.000 2.099 328 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 328 M C 1.858 178.077 176.300 -0.135 0.000 1.067 328 M CA 1.990 57.232 55.300 -0.097 0.000 1.124 328 M CB -0.395 32.158 32.600 -0.078 0.000 1.353 328 M HN 0.351 nan 8.290 nan 0.000 0.410 329 K N -0.296 119.972 120.400 -0.219 0.000 2.113 329 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 329 K C 1.698 178.079 176.600 -0.364 0.000 1.047 329 K CA 1.468 57.534 56.287 -0.369 0.000 0.928 329 K CB -0.411 31.679 32.500 -0.684 0.000 0.716 329 K HN 0.486 nan 8.250 nan 0.000 0.446 330 A N 0.783 123.438 122.820 -0.275 0.000 2.238 330 A HA 0.010 4.329 4.320 -0.000 0.000 0.208 330 A C 0.035 177.597 177.584 -0.037 0.000 1.177 330 A CA 0.239 52.224 52.037 -0.087 0.000 0.804 330 A CB 0.011 18.989 19.000 -0.035 0.000 0.823 330 A HN 0.218 nan 8.150 nan 0.000 0.482 331 K N -1.790 118.576 120.400 -0.057 0.000 3.181 331 K HA -0.140 4.180 4.320 -0.000 0.000 0.269 331 K C -0.856 175.725 176.600 -0.031 0.000 1.097 331 K CA 0.777 57.044 56.287 -0.035 0.000 0.783 331 K CB -3.002 29.488 32.500 -0.016 0.000 1.267 331 K HN 0.486 nan 8.250 nan 0.000 0.484 332 C N 0.743 120.018 119.300 -0.041 0.000 2.379 332 C HA 0.374 4.834 4.460 -0.000 0.000 0.323 332 C C 0.794 175.755 174.990 -0.048 0.000 1.262 332 C CA -1.185 57.809 59.018 -0.040 0.000 1.581 332 C CB 1.261 28.976 27.740 -0.042 0.000 2.221 332 C HN 0.513 nan 8.230 nan 0.000 0.497 333 K N 2.366 122.738 120.400 -0.046 0.000 2.559 333 K HA 0.130 4.450 4.320 -0.000 0.000 0.279 333 K C -0.666 175.877 176.600 -0.096 0.000 0.967 333 K CA 0.245 56.498 56.287 -0.055 0.000 1.000 333 K CB 0.298 32.773 32.500 -0.043 0.000 0.890 333 K HN 0.626 nan 8.250 nan 0.000 0.501 334 L N 4.203 125.374 121.223 -0.087 0.000 2.372 334 L HA 0.377 4.717 4.340 -0.000 0.000 0.274 334 L C -1.326 175.490 176.870 -0.090 0.000 0.988 334 L CA -0.208 54.569 54.840 -0.105 0.000 0.833 334 L CB 1.706 43.728 42.059 -0.062 0.000 1.236 334 L HN 0.667 nan 8.230 nan 0.000 0.410 335 T N 6.549 121.013 114.554 -0.149 0.000 2.797 335 T HA 0.662 5.012 4.350 -0.000 0.000 0.279 335 T C -0.130 174.620 174.700 0.083 0.000 0.991 335 T CA -0.253 61.836 62.100 -0.018 0.000 0.979 335 T CB 1.743 70.602 68.868 -0.015 0.000 0.943 335 T HN 0.482 nan 8.240 nan 0.000 0.444 336 I N 1.693 122.326 120.570 0.105 0.000 2.582 336 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 336 I C -0.461 175.677 176.117 0.035 0.000 1.066 336 I CA -0.826 60.507 61.300 0.055 0.000 1.053 336 I CB 1.905 39.930 38.000 0.042 0.000 1.241 336 I HN 0.644 nan 8.210 nan 0.000 0.421 337 C N 8.663 127.904 119.300 -0.098 0.000 2.255 337 C HA 0.577 5.037 4.460 -0.000 0.000 0.326 337 C C -2.354 172.585 174.990 -0.087 0.000 1.258 337 C CA -2.013 56.910 59.018 -0.158 0.000 1.676 337 C CB 0.559 27.949 27.740 -0.583 0.000 2.314 337 C HN 0.400 nan 8.230 nan 0.000 0.509 338 P HA 0.122 nan 4.420 nan 0.000 0.271 338 P C 0.510 177.802 177.300 -0.013 0.000 1.218 338 P CA 0.222 63.324 63.100 0.003 0.000 0.780 338 P CB 0.425 32.141 31.700 0.026 0.000 0.901 339 E N 1.277 121.482 120.200 0.008 0.000 2.219 339 E HA -0.273 4.077 4.350 -0.000 0.000 0.198 339 E C 0.603 177.205 176.600 0.004 0.000 0.998 339 E CA 1.499 57.906 56.400 0.012 0.000 0.818 339 E CB -0.571 29.159 29.700 0.050 0.000 0.741 339 E HN 0.413 nan 8.360 nan 0.000 0.477 340 E N 0.860 121.066 120.200 0.009 0.000 2.274 340 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 340 E C 1.533 178.139 176.600 0.009 0.000 0.996 340 E CA 1.222 57.628 56.400 0.010 0.000 0.840 340 E CB 0.099 29.808 29.700 0.015 0.000 0.772 340 E HN 0.504 nan 8.360 nan 0.000 0.491 341 E N -0.200 120.005 120.200 0.008 0.000 2.175 341 E HA 0.056 4.405 4.350 -0.000 0.000 0.195 341 E C 1.492 178.084 176.600 -0.012 0.000 0.934 341 E CA 0.045 56.455 56.400 0.017 0.000 0.870 341 E CB 0.055 29.787 29.700 0.054 0.000 0.838 341 E HN 0.096 nan 8.360 nan 0.000 0.474 342 N N 1.398 120.063 118.700 -0.057 0.000 2.111 342 N HA -0.193 4.547 4.740 -0.000 0.000 0.197 342 N C 0.573 176.040 175.510 -0.071 0.000 1.011 342 N CA 1.205 54.191 53.050 -0.106 0.000 0.880 342 N CB -0.161 38.239 38.487 -0.145 0.000 1.031 342 N HN 0.152 nan 8.380 nan 0.000 0.444 343 M N -0.066 119.511 119.600 -0.038 0.000 2.461 343 M HA -0.218 4.261 4.480 -0.000 0.000 0.203 343 M C -0.554 175.732 176.300 -0.023 0.000 0.428 343 M CA 0.588 55.875 55.300 -0.021 0.000 0.509 343 M CB -2.316 30.275 32.600 -0.015 0.000 1.851 343 M HN 0.307 nan 8.290 nan 0.000 0.834 344 D N -1.688 118.692 120.400 -0.032 0.000 3.077 344 D HA -0.153 4.487 4.640 -0.000 0.000 0.212 344 D C 0.131 176.363 176.300 -0.113 0.000 1.125 344 D CA 1.538 55.527 54.000 -0.018 0.000 0.970 344 D CB -0.860 39.959 40.800 0.033 0.000 1.110 344 D HN 0.716 nan 8.370 nan 0.000 0.419 345 D N 1.634 121.941 120.400 -0.156 0.000 2.441 345 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 345 D C 1.569 177.621 176.300 -0.412 0.000 1.156 345 D CA -0.108 53.782 54.000 -0.183 0.000 0.896 345 D CB 0.487 41.244 40.800 -0.072 0.000 1.028 345 D HN 0.298 nan 8.370 nan 0.000 0.509 346 Q N 2.653 121.986 119.800 -0.780 0.000 2.403 346 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 346 Q C -0.193 175.320 176.000 -0.812 0.000 0.932 346 Q CA -0.041 55.092 55.803 -1.117 0.000 0.945 346 Q CB -0.074 27.538 28.738 -1.878 0.000 1.045 346 Q HN 0.454 nan 8.270 nan 0.000 0.511 347 W N 1.621 122.831 121.300 -0.150 0.000 1.611 347 W HA 0.322 4.982 4.660 -0.000 0.000 0.395 347 W C 0.970 177.458 176.519 -0.051 0.000 0.698 347 W CA -0.911 56.408 57.345 -0.043 0.000 1.845 347 W CB 0.394 29.846 29.460 -0.013 0.000 1.818 347 W HN 0.148 nan 8.180 nan 0.000 0.270 348 M N 1.397 121.034 119.600 0.062 0.000 2.358 348 M HA -0.240 4.240 4.480 -0.000 0.000 0.264 348 M C 2.285 178.623 176.300 0.063 0.000 1.064 348 M CA 1.860 57.167 55.300 0.012 0.000 1.093 348 M CB -0.231 32.359 32.600 -0.017 0.000 1.401 348 M HN 0.304 nan 8.290 nan 0.000 0.440 349 Q N 0.016 119.882 119.800 0.110 0.000 2.224 349 Q HA -0.145 4.194 4.340 -0.000 0.000 0.203 349 Q C 1.113 177.170 176.000 0.096 0.000 0.970 349 Q CA 2.010 57.855 55.803 0.070 0.000 0.865 349 Q CB -0.155 28.608 28.738 0.042 0.000 0.922 349 Q HN 0.535 nan 8.270 nan 0.000 0.445 350 D N -0.648 119.813 120.400 0.101 0.000 2.277 350 D HA -0.033 4.606 4.640 -0.000 0.000 0.209 350 D C 1.289 177.497 176.300 -0.153 0.000 0.970 350 D CA 0.459 54.477 54.000 0.030 0.000 0.874 350 D CB 0.126 40.973 40.800 0.079 0.000 0.982 350 D HN 0.276 nan 8.370 nan 0.000 0.504 351 E N 0.128 120.246 120.200 -0.136 0.000 2.358 351 E HA 0.023 4.373 4.350 -0.000 0.000 0.195 351 E C 1.101 177.525 176.600 -0.293 0.000 1.010 351 E CA 0.359 56.602 56.400 -0.261 0.000 0.856 351 E CB 0.391 30.019 29.700 -0.120 0.000 0.795 351 E HN 0.434 nan 8.360 nan 0.000 0.504 352 M N -0.932 118.627 119.600 -0.067 0.000 2.622 352 M HA 0.601 5.081 4.480 -0.000 0.000 0.276 352 M C -1.507 174.980 176.300 0.312 0.000 1.265 352 M CA -0.864 54.494 55.300 0.097 0.000 0.850 352 M CB 3.000 35.618 32.600 0.031 0.000 1.720 352 M HN -0.313 nan 8.290 nan 0.000 0.465 353 E N 1.931 122.347 120.200 0.361 0.000 2.274 353 E HA 0.485 4.835 4.350 -0.000 0.000 0.269 353 E C -1.889 174.978 176.600 0.445 0.000 0.891 353 E CA -0.508 56.106 56.400 0.358 0.000 0.784 353 E CB 1.501 31.383 29.700 0.305 0.000 1.225 353 E HN 0.704 nan 8.360 nan 0.000 0.412 354 I N 4.396 125.178 120.570 0.353 0.000 2.301 354 I HA 0.494 4.664 4.170 -0.000 0.000 0.292 354 I C 0.937 177.261 176.117 0.345 0.000 1.046 354 I CA -0.106 61.437 61.300 0.405 0.000 1.282 354 I CB 0.169 38.397 38.000 0.380 0.000 1.409 354 I HN 0.611 nan 8.210 nan 0.000 0.484 355 G N 6.329 115.363 108.800 0.390 0.000 3.008 355 G HA2 0.724 4.684 3.960 -0.000 0.000 0.181 355 G HA3 0.724 4.684 3.960 -0.000 0.000 0.181 355 G C -1.273 173.674 174.900 0.080 0.000 1.309 355 G CA -0.360 44.673 45.100 -0.113 0.000 1.009 355 G HN 0.576 nan 8.290 nan 0.000 0.584 356 Y N -1.773 118.339 120.300 -0.314 0.000 2.656 356 Y HA 0.713 5.263 4.550 -0.001 0.000 0.334 356 Y C -0.839 175.040 175.900 -0.036 0.000 1.179 356 Y CA -1.726 56.326 58.100 -0.079 0.000 1.050 356 Y CB 1.089 39.513 38.460 -0.060 0.000 1.308 356 Y HN 0.725 nan 8.280 nan 0.000 0.456 357 I N 0.414 121.087 120.570 0.171 0.000 2.740 357 I HA 0.724 4.893 4.170 -0.000 0.000 0.303 357 I C -1.318 174.998 176.117 0.332 0.000 1.044 357 I CA -1.052 60.341 61.300 0.156 0.000 1.064 357 I CB 2.354 40.496 38.000 0.237 0.000 1.249 357 I HN 0.850 nan 8.210 nan 0.000 0.433 358 Q N 4.116 124.152 119.800 0.393 0.000 2.263 358 Q HA 0.758 5.098 4.340 -0.000 0.000 0.262 358 Q C -2.091 174.322 176.000 0.688 0.000 0.984 358 Q CA -0.590 55.537 55.803 0.539 0.000 0.813 358 Q CB 2.299 31.462 28.738 0.708 0.000 1.299 358 Q HN 1.043 nan 8.270 nan 0.000 0.428 359 A N 4.068 127.110 122.820 0.369 0.000 2.430 359 A HA 0.744 5.064 4.320 -0.000 0.000 0.300 359 A C -2.426 175.231 177.584 0.121 0.000 1.124 359 A CA -1.605 50.562 52.037 0.216 0.000 0.766 359 A CB 1.288 20.242 19.000 -0.077 0.000 1.328 359 A HN 0.671 nan 8.150 nan 0.000 0.424 360 P HA -0.164 nan 4.420 nan 0.000 0.219 360 P C 0.796 178.177 177.300 0.136 0.000 1.146 360 P CA 1.799 64.976 63.100 0.130 0.000 0.808 360 P CB -0.077 31.609 31.700 -0.023 0.000 0.779 361 H N -2.261 116.864 119.070 0.093 0.000 2.592 361 H HA 0.374 4.930 4.556 -0.001 0.000 0.265 361 H C 0.260 175.652 175.328 0.108 0.000 0.955 361 H CA 0.336 56.437 56.048 0.088 0.000 1.175 361 H CB 0.292 30.099 29.762 0.074 0.000 1.433 361 H HN -0.082 nan 8.280 nan 0.000 0.537 362 K N 0.775 121.012 120.400 -0.272 0.000 2.592 362 K HA 0.280 4.600 4.320 -0.000 0.000 0.259 362 K C -1.809 174.768 176.600 -0.039 0.000 0.937 362 K CA -0.180 56.026 56.287 -0.136 0.000 0.874 362 K CB 1.793 34.210 32.500 -0.137 0.000 1.339 362 K HN 0.076 nan 8.250 nan 0.000 0.425 363 T N 4.578 119.162 114.554 0.050 0.000 2.881 363 T HA 0.741 5.091 4.350 -0.000 0.000 0.290 363 T C -1.199 173.552 174.700 0.085 0.000 1.000 363 T CA -0.755 61.415 62.100 0.118 0.000 0.978 363 T CB 0.438 69.371 68.868 0.108 0.000 0.997 363 T HN 0.530 nan 8.240 nan 0.000 0.443 364 L N 1.204 122.502 121.223 0.124 0.000 2.466 364 L HA 0.844 5.184 4.340 -0.000 0.000 0.258 364 L C -3.035 173.881 176.870 0.075 0.000 0.973 364 L CA -2.755 52.121 54.840 0.060 0.000 0.826 364 L CB 2.012 44.112 42.059 0.069 0.000 1.372 364 L HN 0.246 nan 8.230 nan 0.000 0.409 365 P HA 0.222 nan 4.420 nan 0.000 0.271 365 P C -1.002 176.331 177.300 0.054 0.000 1.218 365 P CA -0.170 62.841 63.100 -0.148 0.000 0.780 365 P CB 1.684 32.982 31.700 -0.671 0.000 0.901 366 V N 2.850 122.971 119.914 0.345 0.000 2.623 366 V HA 0.168 4.288 4.120 -0.000 0.000 0.304 366 V C 0.076 176.561 176.094 0.652 0.000 1.054 366 V CA -0.889 61.739 62.300 0.546 0.000 0.882 366 V CB 2.215 34.383 31.823 0.575 0.000 1.002 366 V HN 0.267 nan 8.190 nan 0.000 0.424 367 V N 4.122 124.346 119.914 0.517 0.000 2.432 367 V HA 0.367 4.487 4.120 -0.000 0.000 0.271 367 V C -0.215 175.929 176.094 0.082 0.000 1.046 367 V CA -0.340 62.152 62.300 0.319 0.000 0.945 367 V CB 0.774 32.664 31.823 0.112 0.000 0.992 367 V HN 0.665 nan 8.190 nan 0.000 0.471 368 F N 4.799 124.682 119.950 -0.112 0.000 2.390 368 F HA 0.443 4.970 4.527 -0.000 0.000 0.361 368 F C 0.149 175.868 175.800 -0.134 0.000 1.124 368 F CA -1.665 56.064 58.000 -0.451 0.000 1.149 368 F CB 0.772 39.248 39.000 -0.872 0.000 1.160 368 F HN 0.637 nan 8.300 nan 0.000 0.501 369 D N 4.530 124.762 120.400 -0.280 0.000 2.380 369 D HA 0.082 4.722 4.640 -0.000 0.000 0.230 369 D C -0.093 175.840 176.300 -0.612 0.000 1.154 369 D CA 0.115 53.909 54.000 -0.343 0.000 0.859 369 D CB 0.968 41.627 40.800 -0.235 0.000 1.045 369 D HN 0.478 nan 8.370 nan 0.000 0.495 370 S N 4.474 119.576 115.700 -0.998 0.000 2.568 370 S HA 0.120 4.590 4.470 -0.000 0.000 0.282 370 S C -1.386 172.806 174.600 -0.679 0.000 1.338 370 S CA -0.885 56.459 58.200 -1.427 0.000 1.045 370 S CB 1.019 62.957 63.200 -2.104 0.000 0.873 370 S HN 0.410 nan 8.310 nan 0.000 0.516 371 P HA -0.051 nan 4.420 nan 0.000 0.234 371 P C 1.325 178.464 177.300 -0.267 0.000 1.167 371 P CA 0.290 63.202 63.100 -0.314 0.000 0.763 371 P CB -0.056 31.481 31.700 -0.271 0.000 0.835 372 R N 1.436 121.737 120.500 -0.333 0.000 2.189 372 R HA -0.235 4.104 4.340 -0.000 0.000 0.252 372 R C 0.320 176.525 176.300 -0.159 0.000 1.134 372 R CA 2.013 57.971 56.100 -0.237 0.000 0.954 372 R CB -0.961 29.178 30.300 -0.270 0.000 0.890 372 R HN 0.042 nan 8.270 nan 0.000 0.443 373 N N 0.292 118.896 118.700 -0.159 0.000 2.696 373 N HA -0.176 4.564 4.740 -0.000 0.000 0.256 373 N C -0.751 174.719 175.510 -0.067 0.000 1.031 373 N CA 1.357 54.345 53.050 -0.102 0.000 0.730 373 N CB -0.681 37.749 38.487 -0.095 0.000 0.894 373 N HN 0.432 nan 8.380 nan 0.000 0.544 374 R N -0.614 119.853 120.500 -0.056 0.000 2.942 374 R HA 0.572 4.911 4.340 -0.000 0.000 0.212 374 R C 1.947 178.235 176.300 -0.019 0.000 1.562 374 R CA -0.069 56.016 56.100 -0.026 0.000 0.941 374 R CB -0.519 29.778 30.300 -0.005 0.000 2.365 374 R HN 0.135 nan 8.270 nan 0.000 0.524 375 G N 0.652 109.446 108.800 -0.011 0.000 2.450 375 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 375 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 375 G C 0.846 175.731 174.900 -0.025 0.000 1.130 375 G CA 0.681 45.768 45.100 -0.021 0.000 0.760 375 G HN 0.072 nan 8.290 nan 0.000 0.557 376 L N 1.509 122.715 121.223 -0.029 0.000 2.627 376 L HA 0.135 4.475 4.340 -0.000 0.000 0.233 376 L C 2.704 179.595 176.870 0.035 0.000 1.144 376 L CA 0.571 55.404 54.840 -0.011 0.000 0.892 376 L CB -0.360 41.675 42.059 -0.040 0.000 1.039 376 L HN 0.429 nan 8.230 nan 0.000 0.442 377 K N -0.682 119.719 120.400 0.002 0.000 2.127 377 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 377 K C 1.026 177.638 176.600 0.020 0.000 1.047 377 K CA 1.414 57.696 56.287 -0.008 0.000 0.927 377 K CB -0.111 32.373 32.500 -0.028 0.000 0.716 377 K HN 0.199 nan 8.250 nan 0.000 0.450 378 E N 0.134 120.357 120.200 0.038 0.000 2.371 378 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 378 E C 1.591 178.225 176.600 0.057 0.000 1.012 378 E CA 0.221 56.638 56.400 0.028 0.000 0.860 378 E CB -0.332 29.381 29.700 0.021 0.000 0.811 378 E HN 0.348 nan 8.360 nan 0.000 0.502 379 F N 2.279 122.201 119.950 -0.046 0.000 2.102 379 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 379 F C -0.936 174.830 175.800 -0.057 0.000 1.105 379 F CA 1.016 58.988 58.000 -0.047 0.000 1.239 379 F CB -0.993 37.979 39.000 -0.047 0.000 0.991 379 F HN 0.043 nan 8.300 nan 0.000 0.474 380 P HA -0.131 nan 4.420 nan 0.000 0.217 380 P C 1.956 179.189 177.300 -0.112 0.000 1.151 380 P CA 1.474 64.484 63.100 -0.149 0.000 0.828 380 P CB -0.089 31.645 31.700 0.058 0.000 0.788 381 I N -1.122 119.388 120.570 -0.099 0.000 2.406 381 I HA -0.072 4.098 4.170 -0.000 0.000 0.249 381 I C 2.060 178.041 176.117 -0.227 0.000 1.122 381 I CA 1.676 62.814 61.300 -0.270 0.000 1.431 381 I CB -0.061 37.746 38.000 -0.322 0.000 1.087 381 I HN -0.271 nan 8.210 nan 0.000 0.424 382 K N -0.637 119.655 120.400 -0.181 0.000 2.242 382 K HA 0.103 4.423 4.320 -0.000 0.000 0.200 382 K C 1.801 178.288 176.600 -0.188 0.000 1.050 382 K CA 0.439 56.638 56.287 -0.147 0.000 0.981 382 K CB 0.249 32.702 32.500 -0.077 0.000 0.795 382 K HN 0.089 nan 8.250 nan 0.000 0.477 383 R N -0.755 119.539 120.500 -0.342 0.000 2.342 383 R HA 0.164 4.504 4.340 -0.000 0.000 0.204 383 R C 1.828 177.829 176.300 -0.499 0.000 0.882 383 R CA 0.396 56.247 56.100 -0.416 0.000 1.041 383 R CB 0.356 30.294 30.300 -0.603 0.000 1.188 383 R HN 0.018 nan 8.270 nan 0.000 0.598 384 V N 1.802 121.336 119.914 -0.634 0.000 2.521 384 V HA 0.113 4.233 4.120 -0.000 0.000 0.239 384 V C 1.368 177.059 176.094 -0.671 0.000 1.053 384 V CA 0.530 62.376 62.300 -0.756 0.000 1.073 384 V CB -0.206 31.118 31.823 -0.832 0.000 0.746 384 V HN 0.225 nan 8.190 nan 0.000 0.476 385 M N 0.781 120.181 119.600 -0.334 0.000 2.245 385 M HA 0.547 5.026 4.480 -0.000 0.000 0.344 385 M C 0.110 176.395 176.300 -0.025 0.000 1.170 385 M CA 1.577 56.834 55.300 -0.072 0.000 1.135 385 M CB 0.615 33.232 32.600 0.029 0.000 1.574 385 M HN 0.273 nan 8.290 nan 0.000 0.452 386 G N 2.798 111.664 108.800 0.110 0.000 2.360 386 G HA2 0.317 4.277 3.960 -0.000 0.000 0.276 386 G HA3 0.317 4.277 3.960 -0.000 0.000 0.276 386 G C -3.431 171.561 174.900 0.153 0.000 1.256 386 G CA -1.088 44.071 45.100 0.097 0.000 0.890 386 G HN 0.505 nan 8.290 nan 0.000 0.486 387 P HA 0.309 nan 4.420 nan 0.000 0.261 387 P C -0.668 176.715 177.300 0.139 0.000 1.203 387 P CA 0.776 63.941 63.100 0.109 0.000 0.767 387 P CB 0.382 32.127 31.700 0.076 0.000 0.785 388 D N 0.706 121.181 120.400 0.125 0.000 3.012 388 D HA -0.237 4.403 4.640 -0.000 0.000 0.222 388 D C -0.663 175.708 176.300 0.118 0.000 1.167 388 D CA 1.216 55.278 54.000 0.104 0.000 0.854 388 D CB -1.773 39.060 40.800 0.056 0.000 1.107 388 D HN 0.415 nan 8.370 nan 0.000 0.421 389 F N 0.238 120.255 119.950 0.111 0.000 2.513 389 F HA 0.485 5.012 4.527 -0.000 0.000 0.358 389 F C 1.200 177.099 175.800 0.165 0.000 1.118 389 F CA -0.575 57.508 58.000 0.138 0.000 1.037 389 F CB 1.071 40.142 39.000 0.117 0.000 1.276 389 F HN -0.080 nan 8.300 nan 0.000 0.446 390 G N 3.145 112.244 108.800 0.498 0.000 2.651 390 G HA2 0.136 4.096 3.960 -0.000 0.000 0.260 390 G HA3 0.136 4.096 3.960 -0.000 0.000 0.260 390 G C -2.130 173.060 174.900 0.483 0.000 1.216 390 G CA -0.048 45.310 45.100 0.431 0.000 0.913 390 G HN 0.618 nan 8.290 nan 0.000 0.535 391 Y N -0.599 119.853 120.300 0.253 0.000 2.457 391 Y HA 0.540 5.090 4.550 -0.000 0.000 0.343 391 Y C -0.657 175.334 175.900 0.151 0.000 0.994 391 Y CA -0.770 57.431 58.100 0.168 0.000 1.031 391 Y CB 2.078 40.591 38.460 0.088 0.000 1.246 391 Y HN 0.505 nan 8.280 nan 0.000 0.449 392 V N 3.303 122.885 119.914 -0.554 0.000 3.007 392 V HA 0.752 4.871 4.120 -0.000 0.000 0.311 392 V C -0.606 175.038 176.094 -0.750 0.000 1.120 392 V CA -0.866 61.114 62.300 -0.533 0.000 0.980 392 V CB 1.748 33.127 31.823 -0.740 0.000 1.033 392 V HN 0.811 nan 8.190 nan 0.000 0.429 393 T N 1.857 116.187 114.554 -0.374 0.000 2.896 393 T HA 0.751 5.101 4.350 -0.000 0.000 0.297 393 T C -1.112 173.508 174.700 -0.133 0.000 1.108 393 T CA -0.589 61.398 62.100 -0.188 0.000 1.004 393 T CB 1.870 70.675 68.868 -0.105 0.000 1.159 393 T HN 0.682 nan 8.240 nan 0.000 0.499 394 R N 0.527 120.999 120.500 -0.047 0.000 2.855 394 R HA 0.837 5.177 4.340 -0.000 0.000 0.266 394 R C 0.210 176.430 176.300 -0.133 0.000 1.034 394 R CA 0.155 56.198 56.100 -0.095 0.000 0.944 394 R CB 1.053 31.302 30.300 -0.085 0.000 1.219 394 R HN 1.262 nan 8.270 nan 0.000 0.474 395 G N 1.406 110.109 108.800 -0.162 0.000 2.746 395 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.685 395 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.685 395 G C -2.658 172.065 174.900 -0.295 0.000 1.350 395 G CA -0.975 43.918 45.100 -0.345 0.000 0.837 395 G HN 0.456 nan 8.290 nan 0.000 0.564 396 P HA 0.263 nan 4.420 nan 0.000 0.271 396 P C 0.068 177.271 177.300 -0.162 0.000 1.216 396 P CA -0.003 62.976 63.100 -0.202 0.000 0.771 396 P CB 1.201 32.801 31.700 -0.167 0.000 0.864 397 Q N 0.932 120.667 119.800 -0.109 0.000 2.356 397 Q HA 0.031 4.371 4.340 -0.000 0.000 0.205 397 Q C 1.234 177.190 176.000 -0.074 0.000 0.901 397 Q CA 0.918 56.665 55.803 -0.094 0.000 0.938 397 Q CB 0.079 28.774 28.738 -0.070 0.000 1.081 397 Q HN 0.623 nan 8.270 nan 0.000 0.517 398 T N -2.665 111.851 114.554 -0.063 0.000 3.248 398 T HA 0.538 4.887 4.350 -0.000 0.000 0.271 398 T C 0.605 175.280 174.700 -0.042 0.000 1.005 398 T CA 0.230 62.302 62.100 -0.047 0.000 0.902 398 T CB 0.357 69.205 68.868 -0.034 0.000 1.102 398 T HN 0.298 nan 8.240 nan 0.000 0.548 399 G N -0.373 108.395 108.800 -0.053 0.000 2.434 399 G HA2 0.413 4.373 3.960 -0.000 0.000 0.671 399 G HA3 0.413 4.373 3.960 -0.000 0.000 0.671 399 G C 0.321 175.201 174.900 -0.034 0.000 1.280 399 G CA 0.011 45.086 45.100 -0.041 0.000 0.975 399 G HN 1.655 nan 8.290 nan 0.000 0.510 400 G N -1.688 107.106 108.800 -0.011 0.000 2.142 400 G HA2 0.162 4.122 3.960 -0.000 0.000 0.225 400 G HA3 0.162 4.122 3.960 -0.000 0.000 0.225 400 G C 0.034 174.968 174.900 0.057 0.000 1.015 400 G CA 0.962 46.077 45.100 0.026 0.000 0.716 400 G HN 1.710 nan 8.290 nan 0.000 0.508 401 I N 0.624 121.202 120.570 0.013 0.000 2.957 401 I HA 0.851 5.021 4.170 -0.000 0.000 0.310 401 I C 0.504 176.623 176.117 0.002 0.000 1.063 401 I CA -0.345 60.959 61.300 0.005 0.000 1.033 401 I CB 2.212 40.176 38.000 -0.060 0.000 1.230 401 I HN 0.563 nan 8.210 nan 0.000 0.447 402 S N 1.277 116.979 115.700 0.003 0.000 2.704 402 S HA 0.587 5.057 4.470 -0.000 0.000 0.296 402 S C 0.741 175.336 174.600 -0.007 0.000 1.138 402 S CA -0.125 58.072 58.200 -0.005 0.000 0.875 402 S CB 1.060 64.264 63.200 0.006 0.000 1.151 402 S HN 0.821 nan 8.310 nan 0.000 0.500 403 G N -0.017 108.785 108.800 0.005 0.000 2.501 403 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.220 403 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.220 403 G C 0.937 175.899 174.900 0.103 0.000 1.114 403 G CA 0.447 45.580 45.100 0.054 0.000 0.757 403 G HN 0.645 nan 8.290 nan 0.000 0.559 404 L N 0.467 121.728 121.223 0.063 0.000 2.599 404 L HA 0.119 4.459 4.340 -0.000 0.000 0.230 404 L C 1.082 177.964 176.870 0.020 0.000 1.141 404 L CA 0.510 55.390 54.840 0.066 0.000 0.877 404 L CB -0.099 42.023 42.059 0.105 0.000 1.009 404 L HN 0.104 nan 8.230 nan 0.000 0.447 405 D N -0.434 119.959 120.400 -0.011 0.000 2.350 405 D HA 0.030 4.669 4.640 -0.000 0.000 0.213 405 D C 0.798 177.001 176.300 -0.161 0.000 1.031 405 D CA 0.236 54.214 54.000 -0.036 0.000 0.861 405 D CB 0.567 41.319 40.800 -0.080 0.000 0.926 405 D HN 0.058 nan 8.370 nan 0.000 0.520 406 S N 0.057 115.649 115.700 -0.180 0.000 2.564 406 S HA 0.184 4.654 4.470 -0.000 0.000 0.278 406 S C 0.863 175.381 174.600 -0.136 0.000 1.333 406 S CA -0.418 57.634 58.200 -0.247 0.000 1.048 406 S CB 0.569 63.687 63.200 -0.137 0.000 0.900 406 S HN 0.178 nan 8.310 nan 0.000 0.505 407 F N 0.968 120.777 119.950 -0.235 0.000 2.692 407 F HA 0.145 4.672 4.527 0.000 0.000 0.303 407 F C 2.122 177.857 175.800 -0.109 0.000 1.114 407 F CA -0.670 57.223 58.000 -0.178 0.000 1.361 407 F CB 0.081 38.995 39.000 -0.144 0.000 1.063 407 F HN 0.808 nan 8.300 nan 0.000 0.550 408 G N -0.024 108.782 108.800 0.010 0.000 2.534 408 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 408 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 408 G C 1.237 176.134 174.900 -0.003 0.000 1.128 408 G CA 0.272 45.433 45.100 0.101 0.000 0.784 408 G HN 0.187 nan 8.290 nan 0.000 0.542 409 N N -0.397 118.135 118.700 -0.281 0.000 2.449 409 N HA 0.091 4.831 4.740 -0.000 0.000 0.191 409 N C -0.393 175.156 175.510 0.065 0.000 1.161 409 N CA -0.116 52.882 53.050 -0.086 0.000 0.863 409 N CB 0.021 38.419 38.487 -0.148 0.000 0.980 409 N HN 0.204 nan 8.380 nan 0.000 0.458 410 L N 0.689 121.940 121.223 0.047 0.000 2.372 410 L HA 0.506 4.845 4.340 -0.000 0.000 0.273 410 L C -1.120 175.798 176.870 0.079 0.000 0.989 410 L CA -0.231 54.621 54.840 0.020 0.000 0.841 410 L CB 1.103 43.005 42.059 -0.262 0.000 1.225 410 L HN -0.099 nan 8.230 nan 0.000 0.414 411 E N 3.557 123.826 120.200 0.115 0.000 2.445 411 E HA 0.788 5.137 4.350 -0.000 0.000 0.273 411 E C -1.352 175.295 176.600 0.078 0.000 0.961 411 E CA -0.687 55.783 56.400 0.116 0.000 0.807 411 E CB 2.503 32.282 29.700 0.133 0.000 1.362 411 E HN 0.298 nan 8.360 nan 0.000 0.453 412 V N -1.282 118.646 119.914 0.023 0.000 2.925 412 V HA 0.582 4.702 4.120 -0.000 0.000 0.311 412 V C 0.184 176.119 176.094 -0.265 0.000 1.104 412 V CA -1.148 61.109 62.300 -0.071 0.000 0.954 412 V CB 1.421 33.207 31.823 -0.062 0.000 1.022 412 V HN 0.764 nan 8.190 nan 0.000 0.427 413 S N 2.509 117.960 115.700 -0.414 0.000 2.603 413 S HA 0.629 5.099 4.470 -0.000 0.000 0.268 413 S C -2.397 171.758 174.600 -0.741 0.000 1.317 413 S CA -1.011 56.630 58.200 -0.931 0.000 1.012 413 S CB 0.830 63.621 63.200 -0.682 0.000 0.926 413 S HN 0.683 nan 8.310 nan 0.000 0.539 414 P HA 0.249 nan 4.420 nan 0.000 0.271 414 P C -2.485 174.607 177.300 -0.347 0.000 1.238 414 P CA -1.047 61.731 63.100 -0.536 0.000 0.794 414 P CB -0.858 30.400 31.700 -0.736 0.000 0.959 415 P HA 0.008 nan 4.420 nan 0.000 0.267 415 P C -0.591 176.680 177.300 -0.048 0.000 1.195 415 P CA 0.854 63.865 63.100 -0.148 0.000 0.773 415 P CB 0.291 31.924 31.700 -0.112 0.000 0.837 416 V N 1.873 121.777 119.914 -0.016 0.000 3.023 416 V HA 0.307 4.426 4.120 -0.000 0.000 0.294 416 V C -0.725 175.431 176.094 0.102 0.000 1.324 416 V CA -0.298 62.045 62.300 0.072 0.000 0.979 416 V CB 2.780 34.609 31.823 0.009 0.000 1.093 416 V HN 0.476 nan 8.190 nan 0.000 0.434 417 T N 3.967 118.578 114.554 0.094 0.000 2.841 417 T HA 0.751 5.101 4.350 -0.000 0.000 0.283 417 T C -1.045 173.709 174.700 0.090 0.000 1.000 417 T CA -0.474 61.665 62.100 0.066 0.000 0.977 417 T CB 1.694 70.568 68.868 0.010 0.000 0.979 417 T HN 0.473 nan 8.240 nan 0.000 0.446 418 V N 4.120 124.094 119.914 0.100 0.000 2.524 418 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 418 V C 0.443 176.572 176.094 0.058 0.000 1.035 418 V CA -1.196 61.166 62.300 0.103 0.000 0.867 418 V CB 1.379 33.309 31.823 0.178 0.000 1.004 418 V HN 0.935 nan 8.190 nan 0.000 0.426 419 R N 3.378 123.899 120.500 0.034 0.000 3.314 419 R HA -0.286 4.054 4.340 -0.000 0.000 0.243 419 R C 1.377 177.678 176.300 0.002 0.000 0.954 419 R CA 1.006 57.115 56.100 0.015 0.000 0.645 419 R CB -1.292 29.017 30.300 0.014 0.000 1.022 419 R HN 1.549 nan 8.270 nan 0.000 0.468 420 G N -0.562 108.235 108.800 -0.006 0.000 2.308 420 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.221 420 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.221 420 G C 0.106 174.968 174.900 -0.063 0.000 1.032 420 G CA 0.206 45.289 45.100 -0.028 0.000 0.623 420 G HN 0.383 nan 8.290 nan 0.000 0.506 421 K N 1.864 122.219 120.400 -0.076 0.000 2.339 421 K HA 0.468 4.788 4.320 -0.000 0.000 0.286 421 K C 0.209 176.639 176.600 -0.284 0.000 1.050 421 K CA -0.180 55.989 56.287 -0.198 0.000 0.956 421 K CB 0.528 32.900 32.500 -0.213 0.000 0.990 421 K HN 0.420 nan 8.250 nan 0.000 0.475 422 E N 4.296 124.280 120.200 -0.360 0.000 2.249 422 E HA 0.091 4.441 4.350 -0.000 0.000 0.280 422 E C -1.434 174.815 176.600 -0.584 0.000 1.016 422 E CA -0.656 55.545 56.400 -0.331 0.000 0.830 422 E CB 0.632 30.201 29.700 -0.217 0.000 1.081 422 E HN 0.582 nan 8.360 nan 0.000 0.395 423 Y N 5.371 125.556 120.300 -0.192 0.000 2.863 423 Y HA 0.263 4.814 4.550 0.002 0.000 0.348 423 Y C -1.740 173.943 175.900 -0.362 0.000 1.028 423 Y CA -1.873 56.080 58.100 -0.245 0.000 1.213 423 Y CB 1.590 39.935 38.460 -0.191 0.000 1.120 423 Y HN 0.571 nan 8.280 nan 0.000 0.598 424 P HA -0.002 nan 4.420 nan 0.000 0.241 424 P C 0.465 177.255 177.300 -0.848 0.000 1.191 424 P CA 0.870 63.544 63.100 -0.710 0.000 0.771 424 P CB 0.598 31.470 31.700 -1.379 0.000 0.929 425 L N -1.466 119.326 121.223 -0.718 0.000 2.857 425 L HA 0.417 4.757 4.340 -0.000 0.000 0.249 425 L C 1.127 177.679 176.870 -0.530 0.000 1.172 425 L CA -0.063 54.180 54.840 -0.995 0.000 0.980 425 L CB -0.424 41.327 42.059 -0.514 0.000 1.299 425 L HN 0.021 nan 8.230 nan 0.000 0.535 426 G N 1.306 109.896 108.800 -0.350 0.000 2.804 426 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.230 426 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.230 426 G C -0.481 174.299 174.900 -0.201 0.000 1.386 426 G CA -0.531 44.429 45.100 -0.234 0.000 0.875 426 G HN 0.294 nan 8.290 nan 0.000 0.557 427 R N -0.838 119.514 120.500 -0.246 0.000 2.480 427 R HA 0.595 4.935 4.340 -0.000 0.000 0.306 427 R C 0.633 176.841 176.300 -0.153 0.000 0.958 427 R CA -0.853 55.095 56.100 -0.254 0.000 0.861 427 R CB 0.873 30.927 30.300 -0.412 0.000 1.171 427 R HN 0.553 nan 8.270 nan 0.000 0.445 428 I N 4.544 125.069 120.570 -0.076 0.000 2.710 428 I HA -0.043 4.127 4.170 -0.000 0.000 0.286 428 I C -0.429 175.716 176.117 0.047 0.000 1.181 428 I CA 0.334 61.643 61.300 0.015 0.000 1.430 428 I CB 0.384 38.434 38.000 0.083 0.000 1.367 428 I HN 0.292 nan 8.210 nan 0.000 0.577 429 L N 8.229 129.506 121.223 0.090 0.000 2.356 429 L HA 0.565 4.904 4.340 -0.000 0.000 0.277 429 L C -0.528 176.465 176.870 0.205 0.000 0.996 429 L CA -0.371 54.517 54.840 0.080 0.000 0.822 429 L CB 1.181 43.289 42.059 0.081 0.000 1.256 429 L HN 0.432 nan 8.230 nan 0.000 0.413 430 F N 0.120 120.109 119.950 0.064 0.000 2.645 430 F HA 0.906 5.433 4.527 -0.001 0.000 0.310 430 F C 0.146 176.015 175.800 0.114 0.000 1.102 430 F CA -1.166 56.877 58.000 0.071 0.000 0.952 430 F CB 1.443 40.475 39.000 0.053 0.000 1.326 430 F HN 0.504 nan 8.300 nan 0.000 0.456 431 G N 1.123 110.135 108.800 0.354 0.000 2.377 431 G HA2 0.490 4.450 3.960 -0.000 0.000 0.299 431 G HA3 0.490 4.450 3.960 -0.000 0.000 0.299 431 G C -1.691 173.385 174.900 0.294 0.000 1.150 431 G CA -0.221 45.036 45.100 0.262 0.000 0.847 431 G HN 0.867 nan 8.290 nan 0.000 0.501 432 D N -0.868 119.673 120.400 0.236 0.000 2.798 432 D HA 0.514 5.154 4.640 -0.000 0.000 0.308 432 D C 0.220 176.689 176.300 0.281 0.000 1.187 432 D CA -0.287 53.849 54.000 0.227 0.000 1.033 432 D CB 2.014 42.914 40.800 0.167 0.000 1.445 432 D HN 0.482 nan 8.370 nan 0.000 0.550 433 S N -1.076 114.744 115.700 0.200 0.000 2.730 433 S HA 0.316 4.786 4.470 -0.000 0.000 0.284 433 S C 1.111 175.704 174.600 -0.011 0.000 1.153 433 S CA -0.536 57.772 58.200 0.180 0.000 0.995 433 S CB 1.151 64.362 63.200 0.019 0.000 1.058 433 S HN 0.615 nan 8.310 nan 0.000 0.552 434 C N -0.116 118.992 119.300 -0.320 0.000 2.495 434 C HA 0.321 4.781 4.460 -0.000 0.000 0.275 434 C C 0.259 175.228 174.990 -0.035 0.000 1.392 434 C CA -0.054 58.762 59.018 -0.337 0.000 1.766 434 C CB -1.702 25.613 27.740 -0.709 0.000 1.933 434 C HN 0.841 nan 8.230 nan 0.000 0.519 435 Y N -1.573 118.657 120.300 -0.117 0.000 2.592 435 Y HA 0.598 5.148 4.550 -0.001 0.000 0.334 435 Y C -3.158 172.727 175.900 -0.024 0.000 1.136 435 Y CA -2.968 55.098 58.100 -0.057 0.000 1.042 435 Y CB -0.145 38.274 38.460 -0.068 0.000 1.325 435 Y HN -0.229 nan 8.280 nan 0.000 0.457 436 P HA 0.232 nan 4.420 nan 0.000 0.276 436 P C -0.630 176.679 177.300 0.014 0.000 1.253 436 P CA 0.165 63.266 63.100 0.002 0.000 0.766 436 P CB 1.370 33.103 31.700 0.056 0.000 0.845 437 S N 1.877 117.501 115.700 -0.125 0.000 2.751 437 S HA 0.322 4.792 4.470 -0.000 0.000 0.310 437 S C 0.969 175.547 174.600 -0.037 0.000 1.128 437 S CA -0.844 57.332 58.200 -0.041 0.000 0.931 437 S CB 0.859 63.993 63.200 -0.110 0.000 1.177 437 S HN 0.306 nan 8.310 nan 0.000 0.530 438 N N 0.456 119.146 118.700 -0.017 0.000 2.453 438 N HA -0.034 4.705 4.740 -0.000 0.000 0.183 438 N C 0.333 175.809 175.510 -0.056 0.000 1.041 438 N CA 0.984 54.017 53.050 -0.027 0.000 0.900 438 N CB -0.079 38.398 38.487 -0.017 0.000 0.961 438 N HN 0.544 nan 8.380 nan 0.000 0.443 439 D N -0.048 120.308 120.400 -0.072 0.000 2.389 439 D HA 0.011 4.650 4.640 -0.000 0.000 0.206 439 D C 0.560 176.796 176.300 -0.108 0.000 1.055 439 D CA 0.246 54.185 54.000 -0.101 0.000 0.856 439 D CB 0.270 41.016 40.800 -0.090 0.000 0.957 439 D HN 0.224 nan 8.370 nan 0.000 0.509 440 S N 0.646 116.284 115.700 -0.104 0.000 2.632 440 S HA 0.480 4.950 4.470 -0.000 0.000 0.267 440 S C 0.315 174.881 174.600 -0.056 0.000 1.276 440 S CA -0.679 57.466 58.200 -0.092 0.000 0.998 440 S CB 1.780 64.898 63.200 -0.138 0.000 0.953 440 S HN -0.008 nan 8.310 nan 0.000 0.547 441 R N 0.743 121.229 120.500 -0.023 0.000 2.803 441 R HA 0.587 4.927 4.340 -0.000 0.000 0.276 441 R C -0.885 175.442 176.300 0.045 0.000 0.978 441 R CA -0.883 55.218 56.100 0.002 0.000 0.939 441 R CB 1.601 31.900 30.300 -0.002 0.000 1.179 441 R HN 0.914 nan 8.270 nan 0.000 0.472 442 Q N 1.119 120.952 119.800 0.056 0.000 2.462 442 Q HA 0.424 4.764 4.340 -0.000 0.000 0.285 442 Q C -0.933 175.126 176.000 0.098 0.000 1.035 442 Q CA -1.029 54.837 55.803 0.105 0.000 0.799 442 Q CB 2.123 30.917 28.738 0.092 0.000 1.452 442 Q HN 0.543 nan 8.270 nan 0.000 0.404 443 M N 2.256 121.937 119.600 0.135 0.000 2.243 443 M HA 0.141 4.620 4.480 -0.000 0.000 0.341 443 M C -0.257 176.085 176.300 0.069 0.000 1.130 443 M CA -0.265 55.080 55.300 0.076 0.000 1.162 443 M CB 0.706 33.293 32.600 -0.022 0.000 1.497 443 M HN 0.856 nan 8.290 nan 0.000 0.456 444 H N 3.030 122.095 119.070 -0.008 0.000 2.972 444 H HA -0.077 4.478 4.556 -0.000 0.000 0.343 444 H C 0.350 175.681 175.328 0.004 0.000 1.054 444 H CA 0.814 56.861 56.048 -0.002 0.000 1.412 444 H CB 1.131 30.884 29.762 -0.015 0.000 1.385 444 H HN 0.849 nan 8.280 nan 0.000 0.600 445 Q N 4.051 123.713 119.800 -0.230 0.000 2.170 445 Q HA -0.091 4.249 4.340 -0.000 0.000 0.203 445 Q C 2.052 178.127 176.000 0.125 0.000 0.976 445 Q CA 1.893 57.667 55.803 -0.047 0.000 0.858 445 Q CB -0.318 28.347 28.738 -0.121 0.000 0.907 445 Q HN 0.758 nan 8.270 nan 0.000 0.433 446 A N 0.005 123.042 122.820 0.361 0.000 1.933 446 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 446 A C 1.988 179.693 177.584 0.202 0.000 1.175 446 A CA 1.414 53.616 52.037 0.276 0.000 0.628 446 A CB -0.645 18.509 19.000 0.256 0.000 0.814 446 A HN 0.442 nan 8.150 nan 0.000 0.444 447 L N -1.138 120.204 121.223 0.198 0.000 2.044 447 L HA -0.205 4.135 4.340 -0.000 0.000 0.205 447 L C 2.852 179.782 176.870 0.099 0.000 1.075 447 L CA 1.515 56.464 54.840 0.183 0.000 0.747 447 L CB -1.033 41.103 42.059 0.128 0.000 0.903 447 L HN 0.501 nan 8.230 nan 0.000 0.435 448 Q N 0.113 119.907 119.800 -0.010 0.000 2.050 448 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 448 Q C 1.879 177.903 176.000 0.040 0.000 0.980 448 Q CA 1.622 57.375 55.803 -0.083 0.000 0.840 448 Q CB -0.096 28.646 28.738 0.006 0.000 0.898 448 Q HN 0.471 nan 8.270 nan 0.000 0.424 449 D N 0.251 120.701 120.400 0.083 0.000 2.097 449 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 449 D C 1.572 177.919 176.300 0.078 0.000 0.989 449 D CA 0.819 54.870 54.000 0.085 0.000 0.827 449 D CB -0.372 40.489 40.800 0.102 0.000 0.966 449 D HN 0.142 nan 8.370 nan 0.000 0.456 450 F N 1.469 121.397 119.950 -0.036 0.000 2.091 450 F HA -0.203 4.324 4.527 0.001 0.000 0.299 450 F C 2.113 177.839 175.800 -0.123 0.000 1.103 450 F CA 1.332 59.268 58.000 -0.106 0.000 1.228 450 F CB -0.368 38.512 39.000 -0.200 0.000 0.984 450 F HN -0.103 nan 8.300 nan 0.000 0.477 451 L N -0.711 120.416 121.223 -0.161 0.000 2.046 451 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 451 L C 2.625 179.397 176.870 -0.163 0.000 1.077 451 L CA 1.493 56.208 54.840 -0.208 0.000 0.747 451 L CB -0.987 41.059 42.059 -0.021 0.000 0.896 451 L HN 0.082 nan 8.230 nan 0.000 0.432 452 S N -0.365 115.295 115.700 -0.067 0.000 2.402 452 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 452 S C 2.069 176.615 174.600 -0.090 0.000 1.021 452 S CA 1.093 59.271 58.200 -0.038 0.000 0.974 452 S CB -0.173 63.041 63.200 0.023 0.000 0.800 452 S HN 0.479 nan 8.310 nan 0.000 0.484 453 A N 0.871 123.610 122.820 -0.135 0.000 2.119 453 A HA -0.038 4.281 4.320 -0.000 0.000 0.217 453 A C 1.935 179.393 177.584 -0.211 0.000 1.153 453 A CA 0.772 52.723 52.037 -0.143 0.000 0.692 453 A CB -0.266 18.667 19.000 -0.112 0.000 0.799 453 A HN 0.325 nan 8.150 nan 0.000 0.458 454 Q N -0.472 119.138 119.800 -0.317 0.000 2.364 454 Q HA -0.131 4.209 4.340 -0.000 0.000 0.207 454 Q C 0.373 176.277 176.000 -0.160 0.000 0.970 454 Q CA 0.898 56.524 55.803 -0.295 0.000 0.888 454 Q CB -0.501 28.011 28.738 -0.378 0.000 0.951 454 Q HN 0.813 nan 8.270 nan 0.000 0.469 455 Q N -0.666 119.062 119.800 -0.120 0.000 2.405 455 Q HA -0.194 4.146 4.340 -0.000 0.000 0.265 455 Q C 0.583 176.537 176.000 -0.077 0.000 1.096 455 Q CA 0.828 56.578 55.803 -0.087 0.000 0.982 455 Q CB -1.920 26.766 28.738 -0.087 0.000 1.426 455 Q HN 0.414 nan 8.270 nan 0.000 0.527 456 V N -6.015 113.867 119.914 -0.053 0.000 3.451 456 V HA 0.121 4.241 4.120 -0.000 0.000 0.288 456 V C 0.790 176.871 176.094 -0.022 0.000 1.502 456 V CA 0.265 62.561 62.300 -0.005 0.000 1.026 456 V CB 0.690 32.584 31.823 0.118 0.000 0.840 456 V HN 0.250 nan 8.190 nan 0.000 0.437 457 Q N 1.528 121.297 119.800 -0.051 0.000 2.158 457 Q HA 0.651 4.991 4.340 -0.000 0.000 0.306 457 Q C 0.662 176.626 176.000 -0.060 0.000 0.878 457 Q CA 0.112 55.879 55.803 -0.060 0.000 1.136 457 Q CB 1.337 30.019 28.738 -0.093 0.000 1.253 457 Q HN 0.602 nan 8.270 nan 0.000 0.441 458 A N 2.601 125.405 122.820 -0.026 0.000 1.773 458 A HA -0.144 4.176 4.320 -0.000 0.000 0.341 458 A C -2.229 175.319 177.584 -0.060 0.000 0.848 458 A CA -0.347 51.673 52.037 -0.028 0.000 1.539 458 A CB -0.904 18.114 19.000 0.030 0.000 0.635 458 A HN 0.163 nan 8.150 nan 0.000 0.205 459 P HA 0.220 nan 4.420 nan 0.000 0.266 459 P C -0.363 176.920 177.300 -0.027 0.000 1.193 459 P CA -0.031 63.106 63.100 0.061 0.000 0.770 459 P CB 0.707 32.566 31.700 0.264 0.000 0.836 460 V N 4.054 123.914 119.914 -0.090 0.000 2.378 460 V HA 0.194 4.314 4.120 -0.000 0.000 0.288 460 V C 0.424 176.302 176.094 -0.361 0.000 1.016 460 V CA -0.674 61.525 62.300 -0.168 0.000 0.840 460 V CB 1.224 32.969 31.823 -0.130 0.000 0.994 460 V HN 0.424 nan 8.190 nan 0.000 0.431 461 K N 5.433 125.545 120.400 -0.480 0.000 2.419 461 K HA 0.322 4.642 4.320 -0.000 0.000 0.282 461 K C -0.518 175.966 176.600 -0.193 0.000 1.056 461 K CA 0.111 56.044 56.287 -0.590 0.000 1.035 461 K CB 0.362 32.636 32.500 -0.375 0.000 0.921 461 K HN 0.503 nan 8.250 nan 0.000 0.472 462 L N 2.573 123.737 121.223 -0.098 0.000 2.376 462 L HA 0.386 4.726 4.340 -0.000 0.000 0.267 462 L C -0.110 176.943 176.870 0.304 0.000 1.035 462 L CA -1.135 53.807 54.840 0.171 0.000 0.800 462 L CB 0.539 42.765 42.059 0.278 0.000 1.290 462 L HN 0.536 nan 8.230 nan 0.000 0.462 463 Y N 0.316 120.783 120.300 0.277 0.000 2.417 463 Y HA 0.191 4.741 4.550 -0.001 0.000 0.336 463 Y C 0.586 176.702 175.900 0.360 0.000 0.961 463 Y CA -0.439 57.822 58.100 0.268 0.000 1.215 463 Y CB 1.140 39.744 38.460 0.240 0.000 1.120 463 Y HN 0.639 nan 8.280 nan 0.000 0.499 464 S N 0.918 116.702 115.700 0.140 0.000 2.733 464 S HA 0.008 4.477 4.470 -0.000 0.000 0.247 464 S C 0.763 175.078 174.600 -0.475 0.000 1.043 464 S CA 0.004 58.089 58.200 -0.192 0.000 1.066 464 S CB 0.143 63.400 63.200 0.095 0.000 1.045 464 S HN 0.766 nan 8.310 nan 0.000 0.586 465 D N 2.270 122.559 120.400 -0.184 0.000 2.269 465 D HA -0.046 4.594 4.640 -0.000 0.000 0.208 465 D C 1.704 177.935 176.300 -0.114 0.000 0.963 465 D CA 1.120 55.080 54.000 -0.067 0.000 0.864 465 D CB -0.258 40.631 40.800 0.149 0.000 0.936 465 D HN 0.742 nan 8.370 nan 0.000 0.505 466 W N 0.556 121.673 121.300 -0.305 0.000 2.468 466 W HA 0.024 4.683 4.660 -0.001 0.000 0.262 466 W C -0.192 176.231 176.519 -0.160 0.000 1.241 466 W CA -0.138 57.070 57.345 -0.228 0.000 1.232 466 W CB -1.052 28.117 29.460 -0.485 0.000 1.124 466 W HN -0.098 nan 8.180 nan 0.000 0.597 467 L N 1.961 122.681 121.223 -0.838 0.000 2.350 467 L HA 0.063 4.403 4.340 -0.000 0.000 0.275 467 L C 2.149 178.834 176.870 -0.309 0.000 1.099 467 L CA -0.085 54.345 54.840 -0.682 0.000 0.808 467 L CB 1.423 42.936 42.059 -0.909 0.000 1.149 467 L HN -0.159 nan 8.230 nan 0.000 0.442 468 S N 1.991 117.577 115.700 -0.191 0.000 2.359 468 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 468 S C 1.609 176.087 174.600 -0.204 0.000 1.039 468 S CA 1.858 59.972 58.200 -0.142 0.000 1.042 468 S CB 0.068 63.182 63.200 -0.143 0.000 0.915 468 S HN 0.470 nan 8.310 nan 0.000 0.439 469 V N 0.350 120.092 119.914 -0.286 0.000 2.346 469 V HA 0.214 4.334 4.120 -0.000 0.000 0.244 469 V C 1.855 177.743 176.094 -0.343 0.000 1.037 469 V CA 1.272 63.338 62.300 -0.390 0.000 1.029 469 V CB -1.042 30.448 31.823 -0.556 0.000 0.663 469 V HN 0.830 nan 8.190 nan 0.000 0.454 470 G N -0.358 108.257 108.800 -0.309 0.000 2.173 470 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.174 470 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.174 470 G C -0.134 174.847 174.900 0.137 0.000 1.025 470 G CA -0.177 44.847 45.100 -0.125 0.000 0.706 470 G HN 0.632 nan 8.290 nan 0.000 0.499 471 H N -1.129 117.874 119.070 -0.111 0.000 2.572 471 H HA 0.429 4.985 4.556 -0.000 0.000 0.359 471 H C 1.558 176.874 175.328 -0.019 0.000 1.134 471 H CA -0.757 55.278 56.048 -0.022 0.000 1.187 471 H CB 2.275 32.035 29.762 -0.003 0.000 1.597 471 H HN 0.307 nan 8.280 nan 0.000 0.524 472 V N -0.619 119.362 119.914 0.112 0.000 2.720 472 V HA -0.232 3.888 4.120 -0.000 0.000 0.256 472 V C 1.640 177.553 176.094 -0.302 0.000 1.082 472 V CA 1.980 64.178 62.300 -0.170 0.000 1.101 472 V CB -0.407 31.333 31.823 -0.137 0.000 0.693 472 V HN 0.853 nan 8.190 nan 0.000 0.479 473 D N 0.773 121.157 120.400 -0.026 0.000 2.348 473 D HA -0.173 4.467 4.640 -0.000 0.000 0.216 473 D C 1.708 178.012 176.300 0.005 0.000 0.970 473 D CA 1.213 55.205 54.000 -0.013 0.000 0.889 473 D CB -0.410 40.527 40.800 0.228 0.000 0.912 473 D HN 0.667 nan 8.370 nan 0.000 0.524 474 E N -0.789 119.438 120.200 0.045 0.000 2.427 474 E HA -0.017 4.333 4.350 -0.000 0.000 0.196 474 E C 0.784 177.543 176.600 0.265 0.000 1.028 474 E CA 0.539 57.016 56.400 0.129 0.000 0.864 474 E CB -0.190 29.559 29.700 0.083 0.000 0.813 474 E HN 0.610 nan 8.360 nan 0.000 0.514 475 F N -0.831 119.195 119.950 0.126 0.000 2.871 475 F HA 0.281 4.808 4.527 -0.001 0.000 0.344 475 F C -0.188 175.672 175.800 0.101 0.000 1.078 475 F CA -1.012 57.099 58.000 0.184 0.000 1.149 475 F CB 0.309 39.461 39.000 0.253 0.000 1.087 475 F HN -0.205 nan 8.300 nan 0.000 0.557 476 L N -0.570 120.415 121.223 -0.397 0.000 2.371 476 L HA 0.935 5.274 4.340 -0.000 0.000 0.262 476 L C -0.518 176.187 176.870 -0.275 0.000 1.006 476 L CA -1.122 53.522 54.840 -0.328 0.000 0.818 476 L CB 1.710 43.480 42.059 -0.481 0.000 1.354 476 L HN -0.025 nan 8.230 nan 0.000 0.415 477 S N 0.540 116.069 115.700 -0.284 0.000 2.570 477 S HA 0.828 5.297 4.470 -0.000 0.000 0.270 477 S C -1.703 172.700 174.600 -0.329 0.000 1.149 477 S CA -0.430 57.634 58.200 -0.227 0.000 0.837 477 S CB 0.795 63.911 63.200 -0.140 0.000 1.124 477 S HN 0.493 nan 8.310 nan 0.000 0.465 478 F N 2.047 121.977 119.950 -0.033 0.000 2.480 478 F HA 0.716 5.243 4.527 -0.000 0.000 0.329 478 F C 0.246 176.070 175.800 0.040 0.000 1.091 478 F CA -0.496 57.511 58.000 0.012 0.000 0.972 478 F CB 2.098 41.061 39.000 -0.061 0.000 1.150 478 F HN 0.462 nan 8.300 nan 0.000 0.467 479 V N 0.469 120.540 119.914 0.262 0.000 3.007 479 V HA 0.739 4.858 4.120 -0.000 0.000 0.311 479 V C -2.906 173.318 176.094 0.217 0.000 1.120 479 V CA -2.764 59.642 62.300 0.178 0.000 0.980 479 V CB 1.947 33.830 31.823 0.100 0.000 1.033 479 V HN 0.466 nan 8.190 nan 0.000 0.429 480 P HA 0.635 nan 4.420 nan 0.000 0.274 480 P C -0.692 176.668 177.300 0.100 0.000 1.246 480 P CA -0.078 63.109 63.100 0.145 0.000 0.795 480 P CB 1.512 33.266 31.700 0.090 0.000 1.006 481 A N 1.967 124.836 122.820 0.082 0.000 2.549 481 A HA 0.579 4.899 4.320 -0.000 0.000 0.297 481 A C -2.245 175.349 177.584 0.016 0.000 1.061 481 A CA -1.110 50.946 52.037 0.032 0.000 0.690 481 A CB 1.098 20.102 19.000 0.007 0.000 1.287 481 A HN 0.329 nan 8.150 nan 0.000 0.402 482 P HA 0.040 nan 4.420 nan 0.000 0.233 482 P C -0.230 177.065 177.300 -0.008 0.000 1.167 482 P CA 1.166 64.267 63.100 0.000 0.000 0.770 482 P CB 0.071 31.768 31.700 -0.004 0.000 0.837 483 D N -1.517 118.869 120.400 -0.024 0.000 2.784 483 D HA 0.129 4.768 4.640 -0.000 0.000 0.256 483 D C 1.388 177.648 176.300 -0.066 0.000 1.129 483 D CA -0.783 53.196 54.000 -0.035 0.000 1.102 483 D CB 0.398 41.179 40.800 -0.032 0.000 1.330 483 D HN -0.154 nan 8.370 nan 0.000 0.626 484 R N 0.442 120.900 120.500 -0.071 0.000 2.349 484 R HA -0.359 3.981 4.340 -0.000 0.000 0.195 484 R C 1.299 177.536 176.300 -0.105 0.000 1.031 484 R CA 2.208 58.255 56.100 -0.088 0.000 0.274 484 R CB -1.282 28.956 30.300 -0.103 0.000 0.636 484 R HN 0.422 nan 8.270 nan 0.000 0.234 485 K N 0.704 120.980 120.400 -0.207 0.000 2.374 485 K HA 0.162 4.482 4.320 -0.000 0.000 0.196 485 K C 0.898 177.429 176.600 -0.114 0.000 1.023 485 K CA 0.495 56.660 56.287 -0.203 0.000 1.103 485 K CB 1.136 33.410 32.500 -0.376 0.000 0.848 485 K HN 0.723 nan 8.250 nan 0.000 0.528 486 G N 1.461 110.196 108.800 -0.108 0.000 2.175 486 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 486 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 486 G C -0.093 174.909 174.900 0.170 0.000 0.982 486 G CA 0.340 45.472 45.100 0.052 0.000 0.641 486 G HN 0.330 nan 8.290 nan 0.000 0.527 487 F N -1.759 118.236 119.950 0.075 0.000 2.711 487 F HA 0.923 5.449 4.527 -0.001 0.000 0.313 487 F C -0.589 175.278 175.800 0.111 0.000 1.141 487 F CA -2.043 56.025 58.000 0.112 0.000 0.941 487 F CB 0.858 39.964 39.000 0.178 0.000 1.349 487 F HN 0.015 nan 8.300 nan 0.000 0.464 488 R N 1.949 122.646 120.500 0.329 0.000 2.637 488 R HA 0.456 4.795 4.340 -0.000 0.000 0.291 488 R C -1.238 175.286 176.300 0.372 0.000 0.963 488 R CA -0.964 55.280 56.100 0.241 0.000 0.901 488 R CB 2.362 32.716 30.300 0.091 0.000 1.160 488 R HN 0.914 nan 8.270 nan 0.000 0.457 489 L N 4.616 125.996 121.223 0.262 0.000 2.313 489 L HA 0.334 4.674 4.340 -0.000 0.000 0.282 489 L C -0.713 176.095 176.870 -0.103 0.000 1.092 489 L CA -0.275 54.480 54.840 -0.142 0.000 0.831 489 L CB 0.429 42.422 42.059 -0.109 0.000 1.159 489 L HN 0.434 nan 8.230 nan 0.000 0.442 490 L N 6.611 127.730 121.223 -0.173 0.000 2.289 490 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 490 L C -0.541 176.289 176.870 -0.067 0.000 1.049 490 L CA -0.547 54.249 54.840 -0.074 0.000 0.804 490 L CB 1.683 43.714 42.059 -0.047 0.000 1.195 490 L HN 0.565 nan 8.230 nan 0.000 0.428 491 L N 2.818 124.055 121.223 0.023 0.000 2.410 491 L HA 0.562 4.902 4.340 -0.000 0.000 0.270 491 L C 0.322 177.284 176.870 0.152 0.000 0.983 491 L CA -0.664 54.240 54.840 0.107 0.000 0.822 491 L CB 2.038 44.175 42.059 0.130 0.000 1.285 491 L HN 0.708 nan 8.230 nan 0.000 0.409 492 A N 2.033 124.994 122.820 0.234 0.000 2.587 492 A HA 0.272 4.591 4.320 -0.000 0.000 0.233 492 A C 0.359 178.092 177.584 0.249 0.000 1.049 492 A CA 0.542 52.751 52.037 0.287 0.000 0.754 492 A CB 0.235 19.532 19.000 0.496 0.000 0.977 492 A HN 0.617 nan 8.150 nan 0.000 0.509 493 S N 3.281 119.110 115.700 0.215 0.000 2.511 493 S HA 0.539 5.009 4.470 -0.000 0.000 0.233 493 S C -2.278 172.412 174.600 0.151 0.000 1.104 493 S CA -0.913 57.378 58.200 0.152 0.000 1.129 493 S CB 1.098 64.359 63.200 0.102 0.000 1.159 493 S HN 0.370 nan 8.310 nan 0.000 0.451 494 P HA -0.121 nan 4.420 nan 0.000 0.216 494 P C 1.670 179.107 177.300 0.229 0.000 1.150 494 P CA 0.661 63.891 63.100 0.217 0.000 0.837 494 P CB 0.058 31.916 31.700 0.263 0.000 0.786 495 R N -0.119 120.468 120.500 0.144 0.000 2.113 495 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 495 R C 2.317 178.683 176.300 0.110 0.000 1.142 495 R CA 2.381 58.547 56.100 0.110 0.000 0.953 495 R CB -1.060 29.270 30.300 0.050 0.000 0.860 495 R HN 0.118 nan 8.270 nan 0.000 0.438 496 S N -0.586 115.160 115.700 0.075 0.000 2.383 496 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 496 S C 2.174 176.769 174.600 -0.009 0.000 1.026 496 S CA 1.264 59.489 58.200 0.043 0.000 0.981 496 S CB -0.527 62.699 63.200 0.044 0.000 0.818 496 S HN 0.627 nan 8.310 nan 0.000 0.472 497 C N 0.367 119.628 119.300 -0.064 0.000 2.457 497 C HA 0.120 4.580 4.460 -0.000 0.000 0.278 497 C C 2.194 176.917 174.990 -0.444 0.000 1.309 497 C CA 0.521 59.343 59.018 -0.327 0.000 1.735 497 C CB -1.753 25.777 27.740 -0.350 0.000 1.992 497 C HN 0.750 nan 8.230 nan 0.000 0.493 498 Y N 1.236 121.428 120.300 -0.180 0.000 2.181 498 Y HA -0.173 4.377 4.550 -0.001 0.000 0.288 498 Y C 2.593 178.494 175.900 0.001 0.000 1.146 498 Y CA 2.327 60.385 58.100 -0.070 0.000 1.164 498 Y CB -0.333 38.113 38.460 -0.024 0.000 0.982 498 Y HN 0.342 nan 8.280 nan 0.000 0.515 499 K N 0.475 120.957 120.400 0.135 0.000 2.026 499 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 499 K C 2.125 178.783 176.600 0.096 0.000 1.048 499 K CA 1.354 57.703 56.287 0.102 0.000 0.929 499 K CB -0.484 32.058 32.500 0.070 0.000 0.713 499 K HN 0.320 nan 8.250 nan 0.000 0.439 500 L N 0.369 121.631 121.223 0.064 0.000 2.012 500 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 500 L C 2.342 179.368 176.870 0.261 0.000 1.073 500 L CA 1.534 56.441 54.840 0.111 0.000 0.748 500 L CB -0.332 41.763 42.059 0.060 0.000 0.891 500 L HN 0.231 nan 8.230 nan 0.000 0.431 501 F N 0.115 120.054 119.950 -0.019 0.000 2.146 501 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 501 F C 2.726 178.533 175.800 0.012 0.000 1.096 501 F CA 1.297 59.278 58.000 -0.032 0.000 1.275 501 F CB -1.160 37.789 39.000 -0.085 0.000 1.008 501 F HN 0.189 nan 8.300 nan 0.000 0.480 502 Q N 0.778 120.721 119.800 0.240 0.000 2.061 502 Q HA -0.214 4.125 4.340 -0.000 0.000 0.204 502 Q C 1.996 178.067 176.000 0.118 0.000 0.984 502 Q CA 2.069 57.968 55.803 0.159 0.000 0.846 502 Q CB -0.340 28.486 28.738 0.146 0.000 0.902 502 Q HN 0.483 nan 8.270 nan 0.000 0.421 503 E N -0.785 119.484 120.200 0.116 0.000 2.051 503 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 503 E C 2.103 178.758 176.600 0.093 0.000 0.991 503 E CA 1.116 57.569 56.400 0.089 0.000 0.799 503 E CB -0.055 29.692 29.700 0.077 0.000 0.748 503 E HN 0.280 nan 8.360 nan 0.000 0.449 504 Q N 0.635 120.495 119.800 0.100 0.000 2.096 504 Q HA -0.249 4.091 4.340 -0.000 0.000 0.208 504 Q C 1.967 178.043 176.000 0.127 0.000 0.993 504 Q CA 1.648 57.512 55.803 0.102 0.000 0.862 504 Q CB -0.427 28.321 28.738 0.017 0.000 0.915 504 Q HN 0.332 nan 8.270 nan 0.000 0.416 505 Q N -0.264 119.583 119.800 0.079 0.000 2.119 505 Q HA -0.134 4.205 4.340 -0.000 0.000 0.201 505 Q C 1.365 177.390 176.000 0.040 0.000 0.972 505 Q CA 1.141 56.975 55.803 0.051 0.000 0.847 505 Q CB 0.060 28.825 28.738 0.046 0.000 0.903 505 Q HN 0.357 nan 8.270 nan 0.000 0.433 506 N N 0.869 119.600 118.700 0.053 0.000 2.272 506 N HA -0.152 4.587 4.740 -0.000 0.000 0.185 506 N C 0.397 175.922 175.510 0.025 0.000 1.014 506 N CA 1.231 54.303 53.050 0.038 0.000 0.870 506 N CB 0.033 38.547 38.487 0.045 0.000 0.975 506 N HN 0.385 nan 8.380 nan 0.000 0.433 507 E N -1.132 119.095 120.200 0.046 0.000 2.465 507 E HA 0.307 4.657 4.350 -0.000 0.000 0.195 507 E C 0.569 177.112 176.600 -0.096 0.000 1.028 507 E CA 0.026 56.444 56.400 0.031 0.000 0.899 507 E CB 0.421 30.189 29.700 0.114 0.000 1.032 507 E HN 0.315 nan 8.360 nan 0.000 0.468 508 G N 1.188 109.914 108.800 -0.125 0.000 2.154 508 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.186 508 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.186 508 G C 0.289 174.997 174.900 -0.321 0.000 1.000 508 G CA -0.412 44.542 45.100 -0.244 0.000 0.664 508 G HN 0.396 nan 8.290 nan 0.000 0.513 509 H N 0.186 119.233 119.070 -0.040 0.000 2.486 509 H HA 0.337 4.893 4.556 -0.000 0.000 0.284 509 H C 2.135 177.412 175.328 -0.085 0.000 1.103 509 H CA 0.430 56.440 56.048 -0.063 0.000 1.089 509 H CB 0.477 30.195 29.762 -0.074 0.000 1.603 509 H HN 0.365 nan 8.280 nan 0.000 0.557 510 G N 0.628 109.432 108.800 0.006 0.000 2.559 510 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 510 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 510 G C 1.511 176.390 174.900 -0.035 0.000 1.126 510 G CA 0.339 45.426 45.100 -0.021 0.000 0.778 510 G HN 0.230 nan 8.290 nan 0.000 0.543 511 E N 0.105 120.290 120.200 -0.024 0.000 2.442 511 E HA 0.379 4.729 4.350 -0.000 0.000 0.195 511 E C 1.551 178.129 176.600 -0.037 0.000 1.030 511 E CA 0.017 56.402 56.400 -0.025 0.000 0.869 511 E CB 0.061 29.751 29.700 -0.017 0.000 0.857 511 E HN 0.321 nan 8.360 nan 0.000 0.505 512 A N 0.645 123.435 122.820 -0.050 0.000 2.511 512 A HA 0.237 4.557 4.320 -0.000 0.000 0.242 512 A C -0.347 177.148 177.584 -0.148 0.000 1.069 512 A CA 0.035 52.017 52.037 -0.090 0.000 0.763 512 A CB 0.037 18.967 19.000 -0.116 0.000 1.001 512 A HN 0.258 nan 8.150 nan 0.000 0.498 513 L N 3.174 124.322 121.223 -0.126 0.000 2.272 513 L HA 0.347 4.687 4.340 -0.000 0.000 0.289 513 L C 0.167 176.933 176.870 -0.173 0.000 1.032 513 L CA -0.340 54.434 54.840 -0.110 0.000 0.810 513 L CB 1.156 43.188 42.059 -0.045 0.000 1.205 513 L HN 0.663 nan 8.230 nan 0.000 0.422 514 L N 4.729 125.809 121.223 -0.238 0.000 2.397 514 L HA 0.233 4.573 4.340 -0.000 0.000 0.271 514 L C -0.370 176.287 176.870 -0.356 0.000 1.148 514 L CA -0.045 54.526 54.840 -0.447 0.000 0.825 514 L CB 0.398 42.101 42.059 -0.593 0.000 1.117 514 L HN 0.696 nan 8.230 nan 0.000 0.456 515 F N 1.291 121.232 119.950 -0.015 0.000 2.937 515 F HA -0.178 4.349 4.527 -0.000 0.000 0.290 515 F C 0.575 176.307 175.800 -0.113 0.000 0.802 515 F CA 0.154 58.103 58.000 -0.085 0.000 1.336 515 F CB -2.050 36.891 39.000 -0.098 0.000 1.438 515 F HN 0.533 nan 8.300 nan 0.000 0.469 516 E N 0.612 120.840 120.200 0.047 0.000 2.338 516 E HA 0.469 4.819 4.350 -0.000 0.000 0.272 516 E C 1.336 177.969 176.600 0.055 0.000 1.029 516 E CA 0.962 57.377 56.400 0.026 0.000 0.872 516 E CB 1.124 30.828 29.700 0.006 0.000 1.015 516 E HN 0.549 nan 8.360 nan 0.000 0.417 517 G N 3.258 112.057 108.800 -0.002 0.000 2.238 517 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 517 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 517 G C 0.199 174.964 174.900 -0.226 0.000 0.996 517 G CA -0.265 44.822 45.100 -0.021 0.000 0.632 517 G HN 0.412 nan 8.290 nan 0.000 0.503 518 I N 1.802 122.187 120.570 -0.308 0.000 2.365 518 I HA 0.338 4.507 4.170 -0.000 0.000 0.291 518 I C 1.555 177.606 176.117 -0.111 0.000 1.004 518 I CA -0.688 60.398 61.300 -0.357 0.000 1.311 518 I CB 1.148 38.802 38.000 -0.578 0.000 1.401 518 I HN 0.061 nan 8.210 nan 0.000 0.491 519 K N 3.485 123.880 120.400 -0.009 0.000 1.990 519 K HA -0.214 4.106 4.320 -0.000 0.000 0.225 519 K C 0.583 177.175 176.600 -0.013 0.000 1.053 519 K CA 1.929 58.198 56.287 -0.031 0.000 0.982 519 K CB 0.011 32.420 32.500 -0.152 0.000 0.734 519 K HN 0.261 nan 8.250 nan 0.000 0.448 520 K N 1.131 121.578 120.400 0.079 0.000 2.484 520 K HA 0.154 4.473 4.320 -0.000 0.000 0.226 520 K C -1.430 175.232 176.600 0.103 0.000 1.031 520 K CA -0.202 56.124 56.287 0.066 0.000 1.026 520 K CB 0.642 33.154 32.500 0.021 0.000 1.412 520 K HN -0.094 nan 8.250 nan 0.000 0.492 521 K N 2.095 122.495 120.400 -0.001 0.000 2.557 521 K HA 0.211 4.531 4.320 -0.000 0.000 0.261 521 K C -1.381 175.191 176.600 -0.047 0.000 0.932 521 K CA -0.729 55.509 56.287 -0.081 0.000 0.829 521 K CB 1.770 34.122 32.500 -0.247 0.000 1.358 521 K HN 0.355 nan 8.250 nan 0.000 0.430 522 K N 2.810 123.183 120.400 -0.044 0.000 2.336 522 K HA 0.059 4.379 4.320 -0.000 0.000 0.290 522 K C -0.262 176.412 176.600 0.124 0.000 1.067 522 K CA 0.014 56.319 56.287 0.030 0.000 0.962 522 K CB 0.443 32.966 32.500 0.038 0.000 1.008 522 K HN 0.326 nan 8.250 nan 0.000 0.467 523 Q N 2.389 122.266 119.800 0.129 0.000 2.386 523 Q HA -0.024 4.316 4.340 -0.000 0.000 0.282 523 Q C -0.802 175.309 176.000 0.184 0.000 1.050 523 Q CA 1.121 57.032 55.803 0.180 0.000 0.918 523 Q CB 0.730 29.520 28.738 0.088 0.000 1.266 523 Q HN 0.472 nan 8.270 nan 0.000 0.423 524 Q N 1.600 121.509 119.800 0.182 0.000 2.305 524 Q HA 0.347 4.687 4.340 -0.000 0.000 0.271 524 Q C -1.182 174.842 176.000 0.040 0.000 1.046 524 Q CA -0.709 55.185 55.803 0.152 0.000 0.798 524 Q CB 2.145 31.051 28.738 0.280 0.000 1.286 524 Q HN 0.367 nan 8.270 nan 0.000 0.435 525 K N 2.005 122.421 120.400 0.027 0.000 2.174 525 K HA 0.292 4.612 4.320 -0.000 0.000 0.275 525 K C 1.015 177.577 176.600 -0.063 0.000 1.015 525 K CA -0.228 56.038 56.287 -0.034 0.000 0.933 525 K CB 1.260 33.753 32.500 -0.012 0.000 1.025 525 K HN 0.553 nan 8.250 nan 0.000 0.463 526 I N 2.803 123.273 120.570 -0.168 0.000 2.181 526 I HA -0.439 3.731 4.170 -0.000 0.000 0.247 526 I C 2.428 178.509 176.117 -0.059 0.000 1.081 526 I CA 1.751 62.913 61.300 -0.231 0.000 1.340 526 I CB -0.241 37.558 38.000 -0.335 0.000 1.036 526 I HN 0.694 nan 8.210 nan 0.000 0.417 527 K N 0.516 120.899 120.400 -0.027 0.000 2.097 527 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 527 K C 1.542 178.167 176.600 0.042 0.000 1.049 527 K CA 1.755 58.051 56.287 0.016 0.000 0.933 527 K CB -0.391 32.115 32.500 0.010 0.000 0.717 527 K HN 0.348 nan 8.250 nan 0.000 0.442 528 N N 0.958 119.685 118.700 0.045 0.000 2.376 528 N HA 0.011 4.751 4.740 -0.000 0.000 0.177 528 N C 1.942 177.508 175.510 0.093 0.000 1.024 528 N CA 0.794 53.884 53.050 0.068 0.000 0.893 528 N CB -0.093 38.439 38.487 0.074 0.000 0.980 528 N HN 0.230 nan 8.380 nan 0.000 0.439 529 I N 0.762 121.392 120.570 0.099 0.000 2.142 529 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 529 I C 1.763 177.951 176.117 0.120 0.000 1.078 529 I CA 0.784 62.150 61.300 0.111 0.000 1.343 529 I CB -0.096 37.988 38.000 0.141 0.000 1.046 529 I HN -0.014 nan 8.210 nan 0.000 0.405 530 L N 0.533 121.840 121.223 0.139 0.000 2.012 530 L HA -0.218 4.121 4.340 -0.000 0.000 0.210 530 L C 2.784 179.752 176.870 0.163 0.000 1.073 530 L CA 2.285 57.247 54.840 0.203 0.000 0.748 530 L CB -1.522 40.641 42.059 0.173 0.000 0.891 530 L HN 0.390 nan 8.230 nan 0.000 0.431 531 S N -1.078 114.686 115.700 0.107 0.000 2.507 531 S HA -0.092 4.378 4.470 -0.000 0.000 0.235 531 S C 1.130 175.773 174.600 0.072 0.000 0.988 531 S CA 0.084 58.331 58.200 0.079 0.000 0.944 531 S CB -0.768 62.467 63.200 0.059 0.000 0.762 531 S HN 0.438 nan 8.310 nan 0.000 0.526 532 N N 2.268 121.020 118.700 0.086 0.000 2.416 532 N HA 0.152 4.892 4.740 -0.000 0.000 0.265 532 N C 0.591 176.127 175.510 0.043 0.000 1.195 532 N CA 0.101 53.188 53.050 0.061 0.000 0.943 532 N CB 0.733 39.260 38.487 0.066 0.000 1.115 532 N HN 0.405 nan 8.380 nan 0.000 0.481 533 K N 1.744 122.151 120.400 0.013 0.000 2.186 533 K HA -0.011 4.308 4.320 -0.000 0.000 0.202 533 K C 1.270 177.842 176.600 -0.047 0.000 1.052 533 K CA 0.998 57.280 56.287 -0.008 0.000 0.965 533 K CB 0.230 32.726 32.500 -0.007 0.000 0.746 533 K HN 0.464 nan 8.250 nan 0.000 0.457 534 T N 2.496 116.999 114.554 -0.086 0.000 2.812 534 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 534 T C 1.708 176.186 174.700 -0.369 0.000 1.042 534 T CA 0.555 62.525 62.100 -0.217 0.000 1.140 534 T CB -0.073 68.665 68.868 -0.215 0.000 0.870 534 T HN 0.123 nan 8.240 nan 0.000 0.445 535 L N 1.111 122.213 121.223 -0.202 0.000 2.042 535 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 535 L C 2.718 179.600 176.870 0.020 0.000 1.076 535 L CA 1.730 56.501 54.840 -0.114 0.000 0.749 535 L CB -0.455 41.566 42.059 -0.063 0.000 0.893 535 L HN 0.214 nan 8.230 nan 0.000 0.432 536 R N -0.192 120.331 120.500 0.039 0.000 2.120 536 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 536 R C 2.058 178.342 176.300 -0.027 0.000 1.123 536 R CA 1.472 57.564 56.100 -0.013 0.000 0.975 536 R CB -0.021 30.213 30.300 -0.110 0.000 0.866 536 R HN 0.472 nan 8.270 nan 0.000 0.446 537 E N -0.892 119.304 120.200 -0.007 0.000 2.028 537 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 537 E C 1.915 178.642 176.600 0.212 0.000 0.988 537 E CA 1.321 57.758 56.400 0.061 0.000 0.799 537 E CB -0.041 29.685 29.700 0.044 0.000 0.755 537 E HN 0.436 nan 8.360 nan 0.000 0.447 538 H N 0.662 119.784 119.070 0.087 0.000 2.289 538 H HA -0.102 4.454 4.556 -0.000 0.000 0.296 538 H C 1.843 177.275 175.328 0.173 0.000 1.091 538 H CA 1.264 57.400 56.048 0.147 0.000 1.274 538 H CB -0.458 29.394 29.762 0.149 0.000 1.364 538 H HN 0.168 nan 8.280 nan 0.000 0.490 539 N N 0.134 119.003 118.700 0.281 0.000 2.396 539 N HA -0.064 4.676 4.740 -0.000 0.000 0.180 539 N C 1.767 177.325 175.510 0.079 0.000 1.028 539 N CA 0.702 53.878 53.050 0.210 0.000 0.893 539 N CB 0.082 38.748 38.487 0.298 0.000 0.967 539 N HN 0.199 nan 8.380 nan 0.000 0.440 540 S N 0.563 116.293 115.700 0.050 0.000 2.387 540 S HA -0.043 4.427 4.470 -0.000 0.000 0.226 540 S C 1.585 176.189 174.600 0.006 0.000 1.026 540 S CA 0.362 58.558 58.200 -0.006 0.000 0.972 540 S CB -0.205 62.988 63.200 -0.012 0.000 0.814 540 S HN 0.391 nan 8.310 nan 0.000 0.477 541 F N 2.149 122.056 119.950 -0.072 0.000 2.134 541 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 541 F C 2.050 177.689 175.800 -0.268 0.000 1.097 541 F CA 1.056 58.978 58.000 -0.129 0.000 1.264 541 F CB -0.263 38.686 39.000 -0.084 0.000 1.001 541 F HN -0.054 nan 8.300 nan 0.000 0.479 542 V N 0.917 120.579 119.914 -0.420 0.000 2.295 542 V HA -0.325 3.794 4.120 -0.000 0.000 0.246 542 V C 2.361 178.002 176.094 -0.755 0.000 1.049 542 V CA 2.275 64.103 62.300 -0.787 0.000 1.024 542 V CB -0.864 30.697 31.823 -0.438 0.000 0.648 542 V HN 0.494 nan 8.190 nan 0.000 0.447 543 E N 0.574 120.552 120.200 -0.370 0.000 2.114 543 E HA -0.361 3.989 4.350 -0.000 0.000 0.199 543 E C 2.317 178.722 176.600 -0.325 0.000 1.008 543 E CA 2.237 58.480 56.400 -0.262 0.000 0.810 543 E CB -0.188 29.439 29.700 -0.122 0.000 0.739 543 E HN 0.547 nan 8.360 nan 0.000 0.456 544 R N -0.094 120.186 120.500 -0.367 0.000 2.075 544 R HA -0.107 4.232 4.340 -0.000 0.000 0.232 544 R C 2.355 178.401 176.300 -0.424 0.000 1.126 544 R CA 1.839 57.753 56.100 -0.310 0.000 0.963 544 R CB -0.610 29.543 30.300 -0.245 0.000 0.858 544 R HN 0.297 nan 8.270 nan 0.000 0.435 545 C N 0.173 118.972 119.300 -0.835 0.000 2.429 545 C HA 0.009 4.468 4.460 -0.000 0.000 0.277 545 C C 2.508 177.029 174.990 -0.781 0.000 1.262 545 C CA 0.505 58.906 59.018 -1.029 0.000 1.733 545 C CB -0.814 25.571 27.740 -2.258 0.000 2.010 545 C HN 0.538 nan 8.230 nan 0.000 0.483 546 I N 1.232 121.330 120.570 -0.786 0.000 2.252 546 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 546 I C 2.121 178.103 176.117 -0.224 0.000 1.102 546 I CA 1.499 62.500 61.300 -0.499 0.000 1.385 546 I CB -0.626 37.181 38.000 -0.321 0.000 1.064 546 I HN 0.309 nan 8.210 nan 0.000 0.414 547 D N 0.322 120.622 120.400 -0.167 0.000 2.182 547 D HA -0.244 4.395 4.640 -0.000 0.000 0.201 547 D C 1.737 178.034 176.300 -0.006 0.000 0.986 547 D CA 1.006 54.967 54.000 -0.064 0.000 0.847 547 D CB -0.395 40.373 40.800 -0.054 0.000 0.942 547 D HN 0.522 nan 8.370 nan 0.000 0.467 548 W N 2.189 123.390 121.300 -0.164 0.000 2.335 548 W HA -0.180 4.481 4.660 0.001 0.000 0.311 548 W C 1.656 178.145 176.519 -0.051 0.000 1.213 548 W CA 1.054 58.339 57.345 -0.100 0.000 1.274 548 W CB -0.258 29.147 29.460 -0.092 0.000 1.148 548 W HN -0.027 nan 8.180 nan 0.000 0.498 549 N N 0.462 119.221 118.700 0.099 0.000 2.166 549 N HA -0.193 4.546 4.740 -0.000 0.000 0.186 549 N C 1.944 177.477 175.510 0.038 0.000 1.019 549 N CA 1.190 54.291 53.050 0.084 0.000 0.856 549 N CB -0.696 37.881 38.487 0.151 0.000 0.993 549 N HN 0.263 nan 8.380 nan 0.000 0.426 550 R N 1.272 121.782 120.500 0.017 0.000 2.112 550 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 550 R C 1.522 177.800 176.300 -0.037 0.000 1.137 550 R CA 1.424 57.530 56.100 0.011 0.000 0.944 550 R CB 0.080 30.377 30.300 -0.005 0.000 0.857 550 R HN 0.217 nan 8.270 nan 0.000 0.435 551 E N 0.333 120.465 120.200 -0.113 0.000 2.158 551 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 551 E C 1.928 178.416 176.600 -0.187 0.000 0.982 551 E CA 0.432 56.737 56.400 -0.158 0.000 0.823 551 E CB -0.270 29.292 29.700 -0.230 0.000 0.766 551 E HN 0.191 nan 8.360 nan 0.000 0.468 552 L N 0.887 121.964 121.223 -0.245 0.000 2.046 552 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 552 L C 2.192 179.012 176.870 -0.083 0.000 1.077 552 L CA 1.450 56.167 54.840 -0.205 0.000 0.747 552 L CB -0.683 41.250 42.059 -0.210 0.000 0.896 552 L HN 0.064 nan 8.230 nan 0.000 0.432 553 L N -1.122 120.090 121.223 -0.019 0.000 2.072 553 L HA -0.198 4.142 4.340 -0.000 0.000 0.205 553 L C 2.513 179.398 176.870 0.025 0.000 1.079 553 L CA 1.111 55.970 54.840 0.032 0.000 0.752 553 L CB -0.509 41.604 42.059 0.090 0.000 0.906 553 L HN 0.176 nan 8.230 nan 0.000 0.436 554 K N -0.124 120.280 120.400 0.007 0.000 2.020 554 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 554 K C 2.287 178.881 176.600 -0.010 0.000 1.050 554 K CA 1.812 58.102 56.287 0.006 0.000 0.929 554 K CB -0.224 32.267 32.500 -0.015 0.000 0.714 554 K HN 0.144 nan 8.250 nan 0.000 0.443 555 R N 0.917 121.389 120.500 -0.046 0.000 2.070 555 R HA -0.125 4.214 4.340 -0.000 0.000 0.232 555 R C 1.712 177.991 176.300 -0.035 0.000 1.138 555 R CA 1.573 57.645 56.100 -0.048 0.000 0.936 555 R CB 0.058 30.308 30.300 -0.083 0.000 0.839 555 R HN 0.123 nan 8.270 nan 0.000 0.429 556 E N 0.058 120.227 120.200 -0.050 0.000 2.482 556 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 556 E C 1.009 177.558 176.600 -0.086 0.000 1.047 556 E CA 0.535 56.892 56.400 -0.071 0.000 0.869 556 E CB 0.379 30.024 29.700 -0.091 0.000 0.836 556 E HN 0.264 nan 8.360 nan 0.000 0.520 557 L N -1.039 120.167 121.223 -0.027 0.000 2.920 557 L HA 0.281 4.621 4.340 -0.000 0.000 0.257 557 L C 1.041 177.952 176.870 0.068 0.000 1.150 557 L CA 0.477 55.318 54.840 0.002 0.000 0.959 557 L CB 0.230 42.317 42.059 0.047 0.000 1.321 557 L HN 0.110 nan 8.230 nan 0.000 0.555 558 G N 1.044 109.877 108.800 0.054 0.000 2.272 558 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.280 558 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.280 558 G C 0.144 175.092 174.900 0.079 0.000 1.067 558 G CA 0.233 45.369 45.100 0.060 0.000 0.902 558 G HN 0.237 nan 8.290 nan 0.000 0.500 559 L N -0.360 120.916 121.223 0.088 0.000 2.357 559 L HA 0.739 5.079 4.340 -0.000 0.000 0.273 559 L C 0.878 177.779 176.870 0.052 0.000 1.080 559 L CA -0.312 54.591 54.840 0.104 0.000 0.803 559 L CB 1.511 43.657 42.059 0.146 0.000 1.174 559 L HN 0.382 nan 8.230 nan 0.000 0.443 560 A N 1.188 124.030 122.820 0.035 0.000 2.288 560 A HA 0.396 4.715 4.320 -0.000 0.000 0.328 560 A C 0.755 178.346 177.584 0.012 0.000 1.123 560 A CA -0.513 51.532 52.037 0.013 0.000 0.861 560 A CB 0.979 19.980 19.000 -0.000 0.000 1.272 560 A HN 0.760 nan 8.150 nan 0.000 0.490 561 E N 0.554 120.757 120.200 0.005 0.000 2.160 561 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 561 E C 2.122 178.723 176.600 0.001 0.000 0.991 561 E CA 1.862 58.265 56.400 0.005 0.000 0.810 561 E CB -0.342 29.359 29.700 0.001 0.000 0.742 561 E HN 0.745 nan 8.360 nan 0.000 0.466 562 S N 0.525 116.219 115.700 -0.010 0.000 2.603 562 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 562 S C 1.026 175.601 174.600 -0.042 0.000 0.972 562 S CA 0.551 58.738 58.200 -0.023 0.000 0.935 562 S CB 0.089 63.272 63.200 -0.028 0.000 0.769 562 S HN 0.059 nan 8.310 nan 0.000 0.536 563 D N 1.090 121.471 120.400 -0.032 0.000 2.339 563 D HA 0.317 4.957 4.640 -0.000 0.000 0.217 563 D C 0.138 176.448 176.300 0.017 0.000 1.050 563 D CA 0.259 54.228 54.000 -0.052 0.000 0.856 563 D CB 0.329 41.118 40.800 -0.019 0.000 0.922 563 D HN 0.482 nan 8.370 nan 0.000 0.518 564 I N 1.251 121.832 120.570 0.019 0.000 2.509 564 I HA 0.335 4.505 4.170 -0.000 0.000 0.293 564 I C -0.320 175.809 176.117 0.020 0.000 1.020 564 I CA -0.703 60.615 61.300 0.029 0.000 1.088 564 I CB 2.669 40.688 38.000 0.032 0.000 1.267 564 I HN -0.372 nan 8.210 nan 0.000 0.430 565 I N 4.479 125.062 120.570 0.021 0.000 2.406 565 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 565 I C -0.804 175.333 176.117 0.033 0.000 0.999 565 I CA -0.684 60.631 61.300 0.025 0.000 1.124 565 I CB 1.786 39.802 38.000 0.026 0.000 1.289 565 I HN 0.458 nan 8.210 nan 0.000 0.441 566 D N 6.687 127.111 120.400 0.040 0.000 2.308 566 D HA 0.324 4.964 4.640 -0.000 0.000 0.251 566 D C -0.167 176.170 176.300 0.063 0.000 1.127 566 D CA -0.046 53.986 54.000 0.055 0.000 0.876 566 D CB 2.103 42.934 40.800 0.052 0.000 1.176 566 D HN 0.142 nan 8.370 nan 0.000 0.446 567 I N 4.434 125.053 120.570 0.082 0.000 2.339 567 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 567 I C -2.169 174.009 176.117 0.103 0.000 0.994 567 I CA -2.762 58.594 61.300 0.093 0.000 1.191 567 I CB 1.251 39.314 38.000 0.105 0.000 1.343 567 I HN -0.046 nan 8.210 nan 0.000 0.458 568 P HA 0.128 nan 4.420 nan 0.000 0.267 568 P C -0.712 176.683 177.300 0.159 0.000 1.209 568 P CA -0.042 63.105 63.100 0.077 0.000 0.763 568 P CB 0.851 32.560 31.700 0.015 0.000 0.816 569 Q N 2.824 122.685 119.800 0.102 0.000 2.364 569 Q HA 0.482 4.822 4.340 -0.000 0.000 0.257 569 Q C -2.142 173.716 176.000 -0.235 0.000 0.956 569 Q CA -0.447 55.303 55.803 -0.087 0.000 0.924 569 Q CB 0.933 29.617 28.738 -0.090 0.000 1.413 569 Q HN 0.151 nan 8.270 nan 0.000 0.418 570 L N 3.971 124.824 121.223 -0.616 0.000 2.331 570 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 570 L C -0.960 175.628 176.870 -0.469 0.000 1.022 570 L CA -0.090 54.537 54.840 -0.354 0.000 0.812 570 L CB 1.120 43.033 42.059 -0.242 0.000 1.257 570 L HN 0.716 nan 8.230 nan 0.000 0.435 571 F N 1.242 121.215 119.950 0.039 0.000 2.631 571 F HA 0.681 5.208 4.527 -0.000 0.000 0.328 571 F C -0.224 175.715 175.800 0.232 0.000 1.067 571 F CA -0.791 57.306 58.000 0.162 0.000 0.969 571 F CB 1.722 40.837 39.000 0.192 0.000 1.332 571 F HN 0.326 nan 8.300 nan 0.000 0.490 572 K N 1.091 121.798 120.400 0.512 0.000 2.469 572 K HA 0.740 5.060 4.320 -0.000 0.000 0.254 572 K C -1.889 174.910 176.600 0.331 0.000 0.939 572 K CA -0.830 55.735 56.287 0.464 0.000 0.812 572 K CB 2.264 35.080 32.500 0.527 0.000 1.301 572 K HN 0.542 nan 8.250 nan 0.000 0.433 573 L N 2.295 123.624 121.223 0.177 0.000 2.334 573 L HA 0.447 4.787 4.340 -0.000 0.000 0.277 573 L C 0.331 177.213 176.870 0.021 0.000 1.075 573 L CA -0.819 54.001 54.840 -0.033 0.000 0.804 573 L CB 0.881 42.690 42.059 -0.417 0.000 1.174 573 L HN 0.718 nan 8.230 nan 0.000 0.438 574 K N 1.484 121.887 120.400 0.005 0.000 2.328 574 K HA 0.354 4.674 4.320 -0.000 0.000 0.305 574 K C -0.517 176.023 176.600 -0.101 0.000 0.963 574 K CA -0.685 55.593 56.287 -0.015 0.000 0.930 574 K CB 0.047 32.547 32.500 0.001 0.000 3.478 574 K HN 0.447 nan 8.250 nan 0.000 1.191 575 E N 1.157 121.252 120.200 -0.174 0.000 2.384 575 E HA 0.102 4.451 4.350 -0.000 0.000 0.266 575 E C -0.768 175.627 176.600 -0.342 0.000 1.012 575 E CA 0.170 56.294 56.400 -0.461 0.000 0.901 575 E CB -0.150 29.180 29.700 -0.617 0.000 0.967 575 E HN 0.300 nan 8.360 nan 0.000 0.435 576 F N 0.805 120.735 119.950 -0.034 0.000 3.069 576 F HA -0.315 4.212 4.527 -0.000 0.000 0.285 576 F C 0.698 176.471 175.800 -0.045 0.000 0.827 576 F CA 0.767 58.745 58.000 -0.037 0.000 1.108 576 F CB -2.736 36.244 39.000 -0.034 0.000 1.252 576 F HN 0.514 nan 8.300 nan 0.000 0.483 577 S N -1.726 113.974 115.700 0.001 0.000 3.587 577 S HA -0.219 4.251 4.470 -0.000 0.000 0.337 577 S C 0.427 175.043 174.600 0.027 0.000 1.119 577 S CA 1.049 59.216 58.200 -0.054 0.000 0.976 577 S CB -0.639 62.492 63.200 -0.115 0.000 0.922 577 S HN 0.474 nan 8.310 nan 0.000 0.503 578 K N 0.941 121.385 120.400 0.073 0.000 2.110 578 K HA 0.715 5.034 4.320 -0.000 0.000 0.263 578 K C 0.235 176.892 176.600 0.095 0.000 0.975 578 K CA -0.188 56.163 56.287 0.106 0.000 0.895 578 K CB 1.457 34.011 32.500 0.090 0.000 1.060 578 K HN 0.296 nan 8.250 nan 0.000 0.448 579 A N 2.892 125.788 122.820 0.127 0.000 2.301 579 A HA 0.379 4.699 4.320 -0.000 0.000 0.298 579 A C -0.371 177.311 177.584 0.164 0.000 1.185 579 A CA -0.405 51.750 52.037 0.197 0.000 0.830 579 A CB 0.388 19.577 19.000 0.314 0.000 1.112 579 A HN 0.706 nan 8.150 nan 0.000 0.508 580 E N 0.890 121.260 120.200 0.283 0.000 2.336 580 E HA 0.590 4.940 4.350 -0.000 0.000 0.267 580 E C -0.457 176.375 176.600 0.387 0.000 0.906 580 E CA -1.073 55.487 56.400 0.266 0.000 0.781 580 E CB 2.128 31.934 29.700 0.177 0.000 1.261 580 E HN 0.786 nan 8.360 nan 0.000 0.436 581 A N 1.339 124.296 122.820 0.229 0.000 2.440 581 A HA 0.127 4.446 4.320 -0.000 0.000 0.251 581 A C 0.087 177.754 177.584 0.139 0.000 1.089 581 A CA -0.007 52.024 52.037 -0.010 0.000 0.779 581 A CB -0.153 18.838 19.000 -0.015 0.000 1.022 581 A HN 0.813 nan 8.150 nan 0.000 0.492 582 F N 2.328 122.185 119.950 -0.154 0.000 2.187 582 F HA 0.187 4.714 4.527 -0.000 0.000 0.295 582 F C 0.400 176.404 175.800 0.341 0.000 1.091 582 F CA 1.164 59.215 58.000 0.084 0.000 1.308 582 F CB 0.065 39.081 39.000 0.027 0.000 1.030 582 F HN 0.635 nan 8.300 nan 0.000 0.487 583 F N -1.662 118.486 119.950 0.329 0.000 2.620 583 F HA 0.649 5.176 4.527 -0.000 0.000 0.320 583 F C -2.950 172.780 175.800 -0.116 0.000 1.069 583 F CA -4.022 54.112 58.000 0.223 0.000 0.953 583 F CB -0.574 38.578 39.000 0.253 0.000 1.322 583 F HN -0.403 nan 8.300 nan 0.000 0.479 584 P HA -0.111 nan 4.420 nan 0.000 0.257 584 P C -0.511 176.835 177.300 0.077 0.000 1.162 584 P CA 0.500 63.431 63.100 -0.281 0.000 0.762 584 P CB 0.181 31.865 31.700 -0.027 0.000 0.753 585 N N 3.856 122.584 118.700 0.047 0.000 2.400 585 N HA 0.021 4.761 4.740 -0.000 0.000 0.278 585 N C 1.051 176.634 175.510 0.120 0.000 1.247 585 N CA 0.397 53.468 53.050 0.034 0.000 0.970 585 N CB -0.062 38.466 38.487 0.069 0.000 1.312 585 N HN 0.369 nan 8.380 nan 0.000 0.488 586 M N 1.683 121.375 119.600 0.152 0.000 2.394 586 M HA -0.096 4.383 4.480 -0.000 0.000 0.264 586 M C 1.780 178.159 176.300 0.131 0.000 1.073 586 M CA 0.624 56.033 55.300 0.182 0.000 1.111 586 M CB 0.141 32.884 32.600 0.239 0.000 1.401 586 M HN 0.303 nan 8.290 nan 0.000 0.448 587 V N 0.927 120.908 119.914 0.112 0.000 2.809 587 V HA -0.117 4.002 4.120 -0.000 0.000 0.256 587 V C 1.170 177.279 176.094 0.026 0.000 1.080 587 V CA 1.193 63.534 62.300 0.069 0.000 1.102 587 V CB -0.543 31.330 31.823 0.082 0.000 0.705 587 V HN 0.450 nan 8.190 nan 0.000 0.475 588 N N 1.987 120.732 118.700 0.075 0.000 3.254 588 N HA 0.113 4.853 4.740 -0.000 0.000 0.308 588 N C 0.032 175.631 175.510 0.148 0.000 1.281 588 N CA -0.119 52.990 53.050 0.098 0.000 1.212 588 N CB -0.141 38.450 38.487 0.174 0.000 1.478 588 N HN 0.675 nan 8.380 nan 0.000 0.548 589 M N -0.413 119.233 119.600 0.075 0.000 2.706 589 M HA 0.452 4.932 4.480 -0.000 0.000 0.304 589 M C -0.915 175.480 176.300 0.157 0.000 1.217 589 M CA -0.984 54.373 55.300 0.096 0.000 0.922 589 M CB 1.542 34.164 32.600 0.036 0.000 1.637 589 M HN -0.095 nan 8.290 nan 0.000 0.492 590 L N 2.139 123.439 121.223 0.129 0.000 2.272 590 L HA 0.577 4.917 4.340 -0.000 0.000 0.289 590 L C -1.439 175.488 176.870 0.094 0.000 1.032 590 L CA -0.355 54.575 54.840 0.150 0.000 0.810 590 L CB 1.595 43.706 42.059 0.086 0.000 1.205 590 L HN 0.622 nan 8.230 nan 0.000 0.422 591 V N 7.196 127.182 119.914 0.121 0.000 2.313 591 V HA 0.332 4.451 4.120 -0.000 0.000 0.278 591 V C -0.338 175.809 176.094 0.088 0.000 1.017 591 V CA -0.335 62.019 62.300 0.089 0.000 0.823 591 V CB 1.116 32.995 31.823 0.095 0.000 1.010 591 V HN 0.497 nan 8.190 nan 0.000 0.443 592 L N 5.731 127.003 121.223 0.083 0.000 2.709 592 L HA 0.718 5.058 4.340 -0.000 0.000 0.236 592 L C 0.963 177.905 176.870 0.119 0.000 1.266 592 L CA 0.987 55.880 54.840 0.088 0.000 0.987 592 L CB -0.007 42.092 42.059 0.067 0.000 1.306 592 L HN 0.891 nan 8.230 nan 0.000 0.467 593 G N 1.186 110.033 108.800 0.079 0.000 2.527 593 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.268 593 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.268 593 G C 0.905 175.811 174.900 0.011 0.000 1.175 593 G CA 0.011 45.145 45.100 0.056 0.000 0.962 593 G HN 0.284 nan 8.290 nan 0.000 0.560 594 K N 1.701 122.056 120.400 -0.074 0.000 2.574 594 K HA 0.145 4.465 4.320 -0.000 0.000 0.193 594 K C 0.824 177.245 176.600 -0.297 0.000 1.035 594 K CA 0.711 56.881 56.287 -0.196 0.000 0.982 594 K CB -0.548 31.794 32.500 -0.264 0.000 0.795 594 K HN 0.657 nan 8.250 nan 0.000 0.491 595 H N -0.219 118.840 119.070 -0.018 0.000 2.556 595 H HA 0.325 4.881 4.556 -0.000 0.000 0.310 595 H C -0.467 174.833 175.328 -0.048 0.000 1.057 595 H CA -0.442 55.583 56.048 -0.038 0.000 1.264 595 H CB 0.699 30.438 29.762 -0.038 0.000 1.404 595 H HN -0.134 nan 8.280 nan 0.000 0.462 596 L N 2.586 123.816 121.223 0.012 0.000 2.295 596 L HA 0.471 4.810 4.340 -0.000 0.000 0.285 596 L C 0.834 177.646 176.870 -0.097 0.000 1.035 596 L CA -0.907 53.908 54.840 -0.042 0.000 0.806 596 L CB 1.637 43.644 42.059 -0.086 0.000 1.214 596 L HN 0.731 nan 8.230 nan 0.000 0.426 597 G N 4.750 113.505 108.800 -0.075 0.000 2.504 597 G HA2 0.607 4.567 3.960 -0.000 0.000 0.326 597 G HA3 0.607 4.567 3.960 -0.000 0.000 0.326 597 G C -0.444 174.403 174.900 -0.089 0.000 1.073 597 G CA -0.294 44.740 45.100 -0.111 0.000 1.030 597 G HN 0.442 nan 8.290 nan 0.000 0.448 598 I N 3.803 124.268 120.570 -0.174 0.000 2.377 598 I HA 0.297 4.467 4.170 -0.000 0.000 0.293 598 I C -2.075 174.087 176.117 0.076 0.000 0.987 598 I CA -2.689 58.559 61.300 -0.086 0.000 1.185 598 I CB 2.765 40.600 38.000 -0.274 0.000 1.341 598 I HN 0.231 nan 8.210 nan 0.000 0.455 599 P HA -0.023 nan 4.420 nan 0.000 0.264 599 P C -0.700 176.764 177.300 0.273 0.000 1.193 599 P CA -0.213 63.023 63.100 0.227 0.000 0.763 599 P CB 0.455 32.287 31.700 0.220 0.000 0.810 600 K N 6.431 126.959 120.400 0.213 0.000 2.402 600 K HA 0.062 4.382 4.320 -0.000 0.000 0.285 600 K C -1.321 175.266 176.600 -0.022 0.000 1.054 600 K CA -1.366 54.926 56.287 0.008 0.000 1.001 600 K CB 0.316 32.630 32.500 -0.309 0.000 0.946 600 K HN 0.317 nan 8.250 nan 0.000 0.473 601 P HA -0.096 nan 4.420 nan 0.000 0.229 601 P C -0.434 176.919 177.300 0.089 0.000 1.160 601 P CA 0.354 63.472 63.100 0.030 0.000 0.777 601 P CB -0.060 31.531 31.700 -0.181 0.000 0.814 602 F N -0.590 119.314 119.950 -0.076 0.000 2.969 602 F HA -0.170 4.357 4.527 -0.000 0.000 0.273 602 F C 1.264 176.936 175.800 -0.214 0.000 0.986 602 F CA 0.135 58.076 58.000 -0.098 0.000 0.926 602 F CB -1.966 37.018 39.000 -0.027 0.000 0.887 602 F HN 0.017 nan 8.300 nan 0.000 0.816 603 G N 0.065 108.744 108.800 -0.202 0.000 2.557 603 G HA2 0.590 4.550 3.960 -0.000 0.000 0.292 603 G HA3 0.590 4.550 3.960 -0.000 0.000 0.292 603 G C -2.629 172.128 174.900 -0.238 0.000 1.237 603 G CA -1.529 43.393 45.100 -0.297 0.000 0.978 603 G HN -0.003 nan 8.290 nan 0.000 0.498 604 P HA 0.119 nan 4.420 nan 0.000 0.262 604 P C -0.196 176.975 177.300 -0.214 0.000 1.199 604 P CA -0.171 62.764 63.100 -0.275 0.000 0.763 604 P CB 0.769 32.220 31.700 -0.415 0.000 0.790 605 V N 6.796 126.613 119.914 -0.161 0.000 2.427 605 V HA 0.228 4.348 4.120 -0.000 0.000 0.268 605 V C 0.604 176.609 176.094 -0.149 0.000 1.046 605 V CA 0.295 62.514 62.300 -0.136 0.000 0.970 605 V CB -0.081 31.691 31.823 -0.084 0.000 1.001 605 V HN 0.429 nan 8.190 nan 0.000 0.476 606 I N 4.506 124.965 120.570 -0.184 0.000 2.512 606 I HA 0.370 4.539 4.170 -0.000 0.000 0.287 606 I C 0.261 176.269 176.117 -0.181 0.000 1.069 606 I CA -0.627 60.516 61.300 -0.262 0.000 1.056 606 I CB 1.723 39.444 38.000 -0.466 0.000 1.229 606 I HN 0.686 nan 8.210 nan 0.000 0.429 607 N N 4.505 123.139 118.700 -0.110 0.000 2.740 607 N HA -0.191 4.548 4.740 -0.000 0.000 0.248 607 N C 0.774 176.250 175.510 -0.056 0.000 1.062 607 N CA 1.040 54.054 53.050 -0.060 0.000 0.704 607 N CB -0.519 37.933 38.487 -0.058 0.000 0.968 607 N HN 1.159 nan 8.380 nan 0.000 0.547 608 G N -0.921 107.846 108.800 -0.055 0.000 2.160 608 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.251 608 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.251 608 G C -0.154 174.709 174.900 -0.062 0.000 1.008 608 G CA 0.524 45.596 45.100 -0.046 0.000 0.724 608 G HN 0.424 nan 8.290 nan 0.000 0.514 609 R N -0.936 119.511 120.500 -0.090 0.000 2.515 609 R HA 0.323 4.663 4.340 -0.000 0.000 0.278 609 R C 0.063 176.273 176.300 -0.150 0.000 1.107 609 R CA -0.239 55.794 56.100 -0.113 0.000 0.945 609 R CB 0.904 31.143 30.300 -0.101 0.000 1.219 609 R HN 0.516 nan 8.270 nan 0.000 0.434 610 C N 4.582 123.772 119.300 -0.182 0.000 2.517 610 C HA -0.028 4.432 4.460 -0.000 0.000 0.403 610 C C 2.432 177.294 174.990 -0.214 0.000 1.467 610 C CA -0.153 58.732 59.018 -0.223 0.000 1.542 610 C CB -1.289 26.269 27.740 -0.304 0.000 2.482 610 C HN 0.914 nan 8.230 nan 0.000 0.610 611 C N 4.574 123.767 119.300 -0.179 0.000 2.448 611 C HA 0.015 4.475 4.460 -0.000 0.000 0.280 611 C C 2.200 177.128 174.990 -0.104 0.000 1.398 611 C CA 0.436 59.379 59.018 -0.126 0.000 1.774 611 C CB -1.841 25.841 27.740 -0.097 0.000 1.888 611 C HN 0.920 nan 8.230 nan 0.000 0.519 612 L N 1.204 122.340 121.223 -0.146 0.000 2.005 612 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 612 L C 3.060 179.807 176.870 -0.204 0.000 1.072 612 L CA 1.973 56.715 54.840 -0.164 0.000 0.744 612 L CB -0.779 41.116 42.059 -0.273 0.000 0.895 612 L HN 0.342 nan 8.230 nan 0.000 0.433 613 E N -0.244 119.714 120.200 -0.403 0.000 2.048 613 E HA -0.281 4.068 4.350 -0.000 0.000 0.202 613 E C 2.155 178.618 176.600 -0.228 0.000 1.021 613 E CA 1.433 57.449 56.400 -0.639 0.000 0.825 613 E CB -0.135 29.001 29.700 -0.940 0.000 0.756 613 E HN 0.366 nan 8.360 nan 0.000 0.454 614 E N 0.738 120.833 120.200 -0.175 0.000 2.068 614 E HA -0.272 4.077 4.350 -0.000 0.000 0.207 614 E C 2.039 178.625 176.600 -0.024 0.000 1.032 614 E CA 1.482 57.837 56.400 -0.075 0.000 0.839 614 E CB -0.184 29.466 29.700 -0.084 0.000 0.758 614 E HN -0.039 nan 8.360 nan 0.000 0.457 615 K N 0.658 121.042 120.400 -0.026 0.000 2.044 615 K HA -0.135 4.184 4.320 -0.000 0.000 0.210 615 K C 2.133 178.754 176.600 0.036 0.000 1.049 615 K CA 1.433 57.723 56.287 0.006 0.000 0.927 615 K CB -0.771 31.731 32.500 0.003 0.000 0.713 615 K HN -0.001 nan 8.250 nan 0.000 0.443 616 V N 0.107 120.057 119.914 0.059 0.000 2.287 616 V HA -0.346 3.773 4.120 -0.000 0.000 0.248 616 V C 2.532 178.703 176.094 0.128 0.000 1.053 616 V CA 2.015 64.388 62.300 0.122 0.000 1.027 616 V CB -0.554 31.405 31.823 0.226 0.000 0.646 616 V HN 0.482 nan 8.190 nan 0.000 0.447 617 C N 0.597 119.986 119.300 0.149 0.000 2.413 617 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 617 C C 3.268 178.296 174.990 0.064 0.000 1.236 617 C CA 1.565 60.654 59.018 0.120 0.000 1.735 617 C CB -1.217 26.598 27.740 0.124 0.000 2.031 617 C HN 0.784 nan 8.230 nan 0.000 0.474 618 S N 0.685 116.413 115.700 0.046 0.000 2.419 618 S HA -0.090 4.380 4.470 -0.000 0.000 0.233 618 S C 1.595 176.213 174.600 0.029 0.000 1.016 618 S CA 1.437 59.655 58.200 0.030 0.000 0.974 618 S CB -0.638 62.575 63.200 0.021 0.000 0.786 618 S HN 0.667 nan 8.310 nan 0.000 0.492 619 L N -0.230 121.016 121.223 0.038 0.000 2.209 619 L HA 0.252 4.592 4.340 -0.000 0.000 0.207 619 L C 2.242 179.131 176.870 0.031 0.000 1.094 619 L CA 0.693 55.553 54.840 0.034 0.000 0.790 619 L CB -0.197 41.887 42.059 0.042 0.000 0.932 619 L HN 0.320 nan 8.230 nan 0.000 0.447 620 L N -1.748 119.497 121.223 0.036 0.000 2.500 620 L HA 0.074 4.413 4.340 -0.000 0.000 0.219 620 L C 2.154 179.031 176.870 0.013 0.000 1.057 620 L CA 0.184 55.039 54.840 0.026 0.000 0.854 620 L CB -0.092 41.984 42.059 0.029 0.000 1.078 620 L HN 0.113 nan 8.230 nan 0.000 0.480 621 E N 1.022 121.232 120.200 0.017 0.000 2.110 621 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 621 E C -0.822 175.778 176.600 0.001 0.000 0.988 621 E CA 1.015 57.418 56.400 0.006 0.000 0.804 621 E CB -0.737 28.972 29.700 0.015 0.000 0.745 621 E HN 0.410 nan 8.360 nan 0.000 0.458 622 P HA -0.126 nan 4.420 nan 0.000 0.229 622 P C 0.642 177.941 177.300 -0.003 0.000 1.150 622 P CA 1.042 64.142 63.100 0.001 0.000 0.765 622 P CB 0.031 31.734 31.700 0.004 0.000 0.783 623 L N -2.723 118.499 121.223 -0.003 0.000 2.628 623 L HA 0.333 4.672 4.340 -0.000 0.000 0.229 623 L C 1.273 178.135 176.870 -0.014 0.000 1.137 623 L CA 0.318 55.155 54.840 -0.005 0.000 0.909 623 L CB -0.764 41.297 42.059 0.002 0.000 1.137 623 L HN 0.057 nan 8.230 nan 0.000 0.470 624 G N 0.893 109.681 108.800 -0.020 0.000 2.198 624 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 624 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 624 G C -0.165 174.698 174.900 -0.062 0.000 1.025 624 G CA -0.184 44.894 45.100 -0.037 0.000 0.769 624 G HN 0.102 nan 8.290 nan 0.000 0.507 625 L N -0.138 121.054 121.223 -0.052 0.000 2.334 625 L HA 0.576 4.916 4.340 -0.000 0.000 0.277 625 L C 0.577 177.400 176.870 -0.080 0.000 1.075 625 L CA -0.518 54.279 54.840 -0.073 0.000 0.804 625 L CB 1.657 43.694 42.059 -0.037 0.000 1.174 625 L HN 0.379 nan 8.230 nan 0.000 0.438 626 Q N 1.669 121.398 119.800 -0.118 0.000 2.348 626 Q HA 0.349 4.689 4.340 -0.000 0.000 0.265 626 Q C -1.423 174.525 176.000 -0.085 0.000 0.998 626 Q CA -0.474 55.279 55.803 -0.083 0.000 0.831 626 Q CB 1.160 29.849 28.738 -0.083 0.000 1.251 626 Q HN 0.695 nan 8.270 nan 0.000 0.456 627 C N 3.644 122.878 119.300 -0.110 0.000 2.265 627 C HA 0.439 4.899 4.460 -0.000 0.000 0.332 627 C C 0.213 174.974 174.990 -0.381 0.000 1.248 627 C CA -0.436 58.405 59.018 -0.295 0.000 1.727 627 C CB 0.096 27.662 27.740 -0.291 0.000 2.348 627 C HN 0.665 nan 8.230 nan 0.000 0.519 628 T N 3.903 118.202 114.554 -0.424 0.000 2.767 628 T HA 0.460 4.809 4.350 -0.000 0.000 0.284 628 T C -0.538 173.839 174.700 -0.538 0.000 0.973 628 T CA -0.057 61.851 62.100 -0.320 0.000 0.996 628 T CB 0.409 69.183 68.868 -0.155 0.000 0.927 628 T HN 0.376 nan 8.240 nan 0.000 0.456 629 F N 3.153 123.082 119.950 -0.035 0.000 2.334 629 F HA 0.469 4.995 4.527 -0.000 0.000 0.367 629 F C 0.449 176.222 175.800 -0.046 0.000 1.115 629 F CA -0.980 56.989 58.000 -0.051 0.000 1.116 629 F CB 0.354 39.296 39.000 -0.097 0.000 1.230 629 F HN 0.340 nan 8.300 nan 0.000 0.484 630 I N 3.170 123.795 120.570 0.092 0.000 2.315 630 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 630 I C 0.211 176.455 176.117 0.211 0.000 1.006 630 I CA -0.801 60.554 61.300 0.091 0.000 1.265 630 I CB 0.889 38.878 38.000 -0.018 0.000 1.387 630 I HN 0.454 nan 8.210 nan 0.000 0.475 631 N N 6.374 125.227 118.700 0.254 0.000 2.416 631 N HA -0.061 4.678 4.740 -0.000 0.000 0.271 631 N C 0.128 175.938 175.510 0.501 0.000 1.245 631 N CA 0.076 53.373 53.050 0.413 0.000 0.940 631 N CB 0.372 39.131 38.487 0.454 0.000 1.175 631 N HN 0.562 nan 8.380 nan 0.000 0.483 632 D N 2.886 123.596 120.400 0.517 0.000 2.501 632 D HA -0.035 4.605 4.640 -0.000 0.000 0.224 632 D C 0.988 177.556 176.300 0.447 0.000 1.202 632 D CA -0.408 53.903 54.000 0.517 0.000 0.829 632 D CB -0.730 40.330 40.800 0.434 0.000 1.023 632 D HN 0.397 nan 8.370 nan 0.000 0.499 633 F N 0.570 120.689 119.950 0.282 0.000 2.060 633 F HA 0.040 4.566 4.527 -0.000 0.000 0.295 633 F C 1.470 177.205 175.800 -0.109 0.000 1.120 633 F CA 1.513 59.553 58.000 0.066 0.000 1.205 633 F CB -0.103 38.778 39.000 -0.199 0.000 0.986 633 F HN -0.119 nan 8.300 nan 0.000 0.470 634 F N -1.335 118.813 119.950 0.330 0.000 2.473 634 F HA -0.034 4.493 4.527 -0.000 0.000 0.294 634 F C 2.634 178.423 175.800 -0.020 0.000 1.103 634 F CA 1.173 59.252 58.000 0.131 0.000 1.442 634 F CB -0.799 38.275 39.000 0.123 0.000 1.097 634 F HN -0.031 nan 8.300 nan 0.000 0.547 635 T N -1.362 113.279 114.554 0.144 0.000 2.851 635 T HA -0.133 4.216 4.350 -0.000 0.000 0.262 635 T C 1.432 175.929 174.700 -0.340 0.000 1.043 635 T CA 1.792 63.824 62.100 -0.113 0.000 1.140 635 T CB -0.090 68.748 68.868 -0.050 0.000 0.872 635 T HN 0.224 nan 8.240 nan 0.000 0.446 636 Y N -1.243 119.054 120.300 -0.004 0.000 2.697 636 Y HA 0.293 4.843 4.550 -0.000 0.000 0.268 636 Y C 2.317 178.298 175.900 0.135 0.000 1.092 636 Y CA 0.337 58.468 58.100 0.052 0.000 1.304 636 Y CB -0.866 37.590 38.460 -0.007 0.000 1.446 636 Y HN 0.255 nan 8.280 nan 0.000 0.491 637 H N 1.588 120.711 119.070 0.088 0.000 2.289 637 H HA -0.192 4.364 4.556 -0.000 0.000 0.296 637 H C 1.890 177.049 175.328 -0.281 0.000 1.091 637 H CA 2.593 58.571 56.048 -0.116 0.000 1.274 637 H CB -0.613 28.938 29.762 -0.352 0.000 1.364 637 H HN 0.416 nan 8.280 nan 0.000 0.490 638 I N -1.805 118.401 120.570 -0.606 0.000 3.176 638 I HA 0.024 4.194 4.170 -0.000 0.000 0.275 638 I C 1.184 176.942 176.117 -0.598 0.000 1.298 638 I CA 1.003 61.897 61.300 -0.677 0.000 1.445 638 I CB -0.098 37.629 38.000 -0.456 0.000 1.075 638 I HN -0.029 nan 8.210 nan 0.000 0.482 639 R N 0.197 120.486 120.500 -0.352 0.000 2.426 639 R HA 0.196 4.536 4.340 -0.000 0.000 0.263 639 R C -0.419 175.796 176.300 -0.143 0.000 0.961 639 R CA -0.055 55.916 56.100 -0.216 0.000 1.086 639 R CB -0.699 29.713 30.300 0.187 0.000 1.186 639 R HN 0.568 nan 8.270 nan 0.000 0.537 640 H N -3.705 115.332 119.070 -0.055 0.000 2.999 640 H HA -0.134 4.421 4.556 -0.000 0.000 0.262 640 H C 0.333 175.534 175.328 -0.211 0.000 1.240 640 H CA 0.493 56.450 56.048 -0.152 0.000 1.115 640 H CB -1.462 28.183 29.762 -0.195 0.000 1.274 640 H HN 0.459 nan 8.280 nan 0.000 0.358 641 G N -1.364 107.473 108.800 0.061 0.000 2.682 641 G HA2 0.603 4.563 3.960 -0.000 0.000 0.290 641 G HA3 0.603 4.563 3.960 -0.000 0.000 0.290 641 G C -0.770 174.412 174.900 0.469 0.000 1.425 641 G CA -0.721 44.460 45.100 0.136 0.000 0.807 641 G HN 0.047 nan 8.290 nan 0.000 0.482 642 E N -1.173 119.286 120.200 0.431 0.000 2.892 642 E HA 0.383 4.733 4.350 -0.000 0.000 0.160 642 E C 1.818 178.581 176.600 0.272 0.000 0.783 642 E CA -0.491 56.125 56.400 0.360 0.000 0.983 642 E CB 0.021 29.889 29.700 0.279 0.000 1.958 642 E HN 0.130 nan 8.360 nan 0.000 0.371 643 V N 1.200 121.262 119.914 0.246 0.000 2.323 643 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 643 V C 2.409 178.652 176.094 0.249 0.000 1.041 643 V CA 1.968 64.414 62.300 0.244 0.000 1.025 643 V CB -0.762 31.169 31.823 0.180 0.000 0.656 643 V HN 0.545 nan 8.190 nan 0.000 0.451 644 H N 0.669 119.837 119.070 0.162 0.000 2.290 644 H HA -0.206 4.350 4.556 -0.000 0.000 0.298 644 H C 2.298 177.756 175.328 0.217 0.000 1.087 644 H CA 1.964 58.110 56.048 0.164 0.000 1.291 644 H CB 0.047 29.895 29.762 0.144 0.000 1.369 644 H HN 0.394 nan 8.280 nan 0.000 0.492 645 A N 0.314 123.330 122.820 0.328 0.000 1.986 645 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 645 A C 2.566 180.437 177.584 0.479 0.000 1.171 645 A CA 1.695 53.968 52.037 0.393 0.000 0.640 645 A CB -1.048 18.236 19.000 0.473 0.000 0.811 645 A HN 0.578 nan 8.150 nan 0.000 0.451 646 G N -1.492 107.501 108.800 0.322 0.000 2.985 646 G HA2 0.339 4.299 3.960 -0.000 0.000 0.209 646 G HA3 0.339 4.299 3.960 -0.000 0.000 0.209 646 G C 0.645 175.625 174.900 0.133 0.000 1.165 646 G CA 1.135 46.322 45.100 0.145 0.000 0.776 646 G HN 0.804 nan 8.290 nan 0.000 0.541 647 T N -3.097 111.535 114.554 0.131 0.000 2.838 647 T HA 0.649 4.999 4.350 -0.000 0.000 0.292 647 T C -1.316 173.433 174.700 0.081 0.000 1.113 647 T CA -1.037 61.134 62.100 0.119 0.000 1.008 647 T CB 2.955 71.891 68.868 0.114 0.000 1.259 647 T HN -0.071 nan 8.240 nan 0.000 0.520 648 N N -0.798 118.000 118.700 0.163 0.000 2.484 648 N HA 0.606 5.346 4.740 -0.000 0.000 0.269 648 N C -1.995 173.720 175.510 0.340 0.000 1.237 648 N CA -0.424 52.734 53.050 0.181 0.000 0.838 648 N CB 2.564 41.128 38.487 0.127 0.000 1.593 648 N HN 0.669 nan 8.380 nan 0.000 0.485 649 V N 1.704 121.790 119.914 0.286 0.000 2.638 649 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 649 V C 0.125 176.409 176.094 0.315 0.000 1.052 649 V CA -0.833 61.646 62.300 0.298 0.000 0.885 649 V CB 2.008 33.938 31.823 0.178 0.000 0.999 649 V HN 0.546 nan 8.190 nan 0.000 0.424 650 R N 3.758 124.487 120.500 0.381 0.000 2.297 650 R HA 0.631 4.971 4.340 -0.000 0.000 0.308 650 R C -0.463 175.918 176.300 0.135 0.000 1.029 650 R CA -0.432 55.849 56.100 0.300 0.000 0.929 650 R CB 0.811 31.354 30.300 0.404 0.000 1.046 650 R HN 0.737 nan 8.270 nan 0.000 0.461 651 R N 2.418 122.954 120.500 0.060 0.000 2.888 651 R HA 0.255 4.595 4.340 -0.000 0.000 0.266 651 R C -0.897 175.333 176.300 -0.117 0.000 1.020 651 R CA -1.098 54.984 56.100 -0.029 0.000 0.963 651 R CB 1.670 31.939 30.300 -0.052 0.000 1.197 651 R HN 0.426 nan 8.270 nan 0.000 0.481 652 K N 2.533 122.836 120.400 -0.163 0.000 2.416 652 K HA 0.122 4.442 4.320 -0.000 0.000 0.283 652 K C -2.178 174.186 176.600 -0.394 0.000 1.037 652 K CA -1.269 54.879 56.287 -0.231 0.000 0.995 652 K CB 0.418 32.810 32.500 -0.180 0.000 0.938 652 K HN 0.150 nan 8.250 nan 0.000 0.475 653 P HA -0.142 nan 4.420 nan 0.000 0.266 653 P C -0.641 176.359 177.300 -0.501 0.000 1.186 653 P CA 0.412 62.931 63.100 -0.968 0.000 0.767 653 P CB 0.231 31.213 31.700 -1.195 0.000 0.820 654 F N 0.671 120.491 119.950 -0.217 0.000 2.563 654 F HA -0.059 4.468 4.527 0.001 0.000 0.363 654 F C 2.020 177.815 175.800 -0.008 0.000 1.123 654 F CA 0.765 58.755 58.000 -0.016 0.000 1.307 654 F CB -0.043 39.027 39.000 0.117 0.000 1.115 654 F HN 0.313 nan 8.300 nan 0.000 0.592 655 S N 2.438 118.261 115.700 0.206 0.000 2.382 655 S HA -0.203 4.267 4.470 -0.000 0.000 0.228 655 S C 0.539 175.214 174.600 0.124 0.000 1.027 655 S CA 0.422 58.693 58.200 0.118 0.000 0.991 655 S CB -0.396 62.860 63.200 0.093 0.000 0.823 655 S HN 0.502 nan 8.310 nan 0.000 0.469 656 F N 3.890 123.869 119.950 0.048 0.000 2.578 656 F HA 0.143 4.669 4.527 -0.002 0.000 0.376 656 F C 0.243 175.953 175.800 -0.150 0.000 1.085 656 F CA -0.460 57.501 58.000 -0.066 0.000 1.260 656 F CB 0.473 39.428 39.000 -0.075 0.000 1.095 656 F HN -0.201 nan 8.300 nan 0.000 0.573 657 K N 8.546 128.501 120.400 -0.742 0.000 2.297 657 K HA -0.051 4.269 4.320 -0.000 0.000 0.286 657 K C 1.085 177.148 176.600 -0.895 0.000 1.053 657 K CA -0.338 55.307 56.287 -1.071 0.000 0.940 657 K CB 0.464 31.785 32.500 -1.965 0.000 1.019 657 K HN 0.888 nan 8.250 nan 0.000 0.475 658 W N 3.453 124.553 121.300 -0.333 0.000 2.331 658 W HA -0.234 4.426 4.660 0.000 0.000 0.291 658 W C 1.065 177.750 176.519 0.277 0.000 1.214 658 W CA 0.874 58.290 57.345 0.119 0.000 1.228 658 W CB -1.082 28.497 29.460 0.199 0.000 1.135 658 W HN 0.767 nan 8.180 nan 0.000 0.537 659 W N 2.128 123.038 121.300 -0.650 0.000 2.525 659 W HA 0.049 4.708 4.660 -0.002 0.000 0.259 659 W C 1.171 177.671 176.519 -0.032 0.000 1.253 659 W CA 0.988 58.007 57.345 -0.544 0.000 1.262 659 W CB -1.782 27.081 29.460 -0.994 0.000 1.122 659 W HN -0.275 nan 8.180 nan 0.000 0.607 660 N N 0.787 119.320 118.700 -0.278 0.000 2.449 660 N HA 0.032 4.772 4.740 -0.000 0.000 0.191 660 N C 0.241 175.891 175.510 0.234 0.000 1.161 660 N CA 0.390 53.367 53.050 -0.122 0.000 0.863 660 N CB -0.285 37.855 38.487 -0.579 0.000 0.980 660 N HN 0.321 nan 8.380 nan 0.000 0.458 661 M N 0.767 120.640 119.600 0.455 0.000 2.291 661 M HA 0.172 4.651 4.480 -0.000 0.000 0.324 661 M C -0.129 176.336 176.300 0.275 0.000 1.148 661 M CA -0.504 55.024 55.300 0.379 0.000 1.104 661 M CB 1.234 34.026 32.600 0.320 0.000 1.483 661 M HN -0.099 nan 8.290 nan 0.000 0.467 662 V N 2.077 122.019 119.914 0.047 0.000 2.260 662 V HA 0.534 4.653 4.120 -0.000 0.000 0.263 662 V C -2.326 173.613 176.094 -0.258 0.000 1.036 662 V CA -1.424 60.836 62.300 -0.066 0.000 0.874 662 V CB -0.703 31.122 31.823 0.002 0.000 1.116 662 V HN 0.720 nan 8.190 nan 0.000 0.454 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.853 63.100 -0.412 0.000 0.800 663 P CB 0.000 31.360 31.700 -0.566 0.000 0.726