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 2dw5_1_A DATA FIRST_RESID 4 DATA SEQUENCE GTLIRVTPEQ PTHAVCVLGT LTQLDICSSA PEXXTSFSIN 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 PPQEVYACSX XENEDFLKSV 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 HCGTNVRRKP 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 0.000 174.929 174.900 0.048 0.000 0.946 4 G CA 0.000 45.126 45.100 0.043 0.000 0.502 5 T N 1.914 116.492 114.554 0.040 0.000 2.952 5 T HA 0.573 4.923 4.350 -0.000 0.000 0.305 5 T C -0.733 173.979 174.700 0.019 0.000 1.064 5 T CA -0.555 61.568 62.100 0.038 0.000 1.008 5 T CB 1.881 70.780 68.868 0.052 0.000 1.078 5 T HN 0.487 nan 8.240 nan 0.000 0.459 6 L N 4.173 125.406 121.223 0.016 0.000 2.295 6 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 6 L C -0.869 176.004 176.870 0.005 0.000 1.018 6 L CA -0.967 53.874 54.840 0.003 0.000 0.841 6 L CB 0.611 42.670 42.059 0.000 0.000 1.218 6 L HN 0.536 nan 8.230 nan 0.000 0.424 7 I N 4.066 124.634 120.570 -0.003 0.000 2.371 7 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 7 I C 0.377 176.487 176.117 -0.011 0.000 1.028 7 I CA -0.414 60.886 61.300 0.001 0.000 1.345 7 I CB 1.159 39.157 38.000 -0.003 0.000 1.407 7 I HN 0.518 nan 8.210 nan 0.000 0.501 8 R N 4.498 124.997 120.500 -0.000 0.000 2.254 8 R HA 0.465 4.804 4.340 -0.000 0.000 0.318 8 R C -0.487 175.815 176.300 0.003 0.000 1.031 8 R CA -0.384 55.714 56.100 -0.004 0.000 0.905 8 R CB 1.296 31.597 30.300 0.002 0.000 1.050 8 R HN 0.567 nan 8.270 nan 0.000 0.456 9 V N 0.090 120.004 119.914 -0.001 0.000 2.532 9 V HA 0.814 4.934 4.120 -0.000 0.000 0.295 9 V C -0.274 175.848 176.094 0.047 0.000 1.041 9 V CA -0.564 61.747 62.300 0.018 0.000 0.926 9 V CB 1.895 33.716 31.823 -0.003 0.000 0.992 9 V HN 0.859 nan 8.190 nan 0.000 0.457 10 T N 2.013 116.599 114.554 0.053 0.000 2.937 10 T HA 0.557 4.907 4.350 -0.000 0.000 0.297 10 T C -1.805 172.930 174.700 0.059 0.000 0.991 10 T CA -1.513 60.609 62.100 0.037 0.000 0.990 10 T CB 1.891 70.773 68.868 0.023 0.000 0.991 10 T HN 0.526 nan 8.240 nan 0.000 0.440 11 P HA -0.105 nan 4.420 nan 0.000 0.218 11 P C 1.364 178.689 177.300 0.041 0.000 1.149 11 P CA 0.962 64.105 63.100 0.070 0.000 0.817 11 P CB 0.320 32.035 31.700 0.025 0.000 0.785 12 E N -0.115 120.094 120.200 0.015 0.000 2.065 12 E HA -0.166 4.184 4.350 -0.000 0.000 0.201 12 E C 1.202 177.827 176.600 0.040 0.000 1.016 12 E CA 1.222 57.633 56.400 0.019 0.000 0.818 12 E CB -0.150 29.555 29.700 0.007 0.000 0.749 12 E HN 0.372 nan 8.360 nan 0.000 0.453 13 Q N -0.276 119.556 119.800 0.052 0.000 2.345 13 Q HA 0.297 4.637 4.340 -0.000 0.000 0.275 13 Q C -2.686 173.375 176.000 0.102 0.000 1.063 13 Q CA -2.187 53.661 55.803 0.075 0.000 0.819 13 Q CB 2.563 31.341 28.738 0.065 0.000 1.356 13 Q HN -0.124 nan 8.270 nan 0.000 0.418 14 P HA 0.035 nan 4.420 nan 0.000 0.267 14 P C -0.779 176.649 177.300 0.213 0.000 1.200 14 P CA 0.265 63.472 63.100 0.178 0.000 0.772 14 P CB 0.484 32.381 31.700 0.329 0.000 0.855 15 T N -0.789 113.850 114.554 0.141 0.000 2.888 15 T HA 0.538 4.888 4.350 -0.000 0.000 0.284 15 T C -0.653 174.123 174.700 0.127 0.000 1.017 15 T CA -0.708 61.501 62.100 0.181 0.000 1.022 15 T CB 0.632 69.558 68.868 0.096 0.000 1.013 15 T HN 0.269 nan 8.240 nan 0.000 0.465 16 H N 0.268 119.413 119.070 0.125 0.000 2.505 16 H HA 0.758 5.314 4.556 -0.000 0.000 0.338 16 H C -0.245 175.143 175.328 0.099 0.000 1.057 16 H CA -0.230 55.899 56.048 0.135 0.000 1.202 16 H CB 1.577 31.401 29.762 0.104 0.000 1.466 16 H HN 1.093 nan 8.280 nan 0.000 0.499 17 A N 2.706 125.622 122.820 0.160 0.000 2.475 17 A HA 0.643 4.963 4.320 -0.000 0.000 0.301 17 A C -1.064 176.584 177.584 0.106 0.000 1.059 17 A CA -0.697 51.413 52.037 0.121 0.000 0.710 17 A CB 1.192 20.234 19.000 0.069 0.000 1.288 17 A HN 0.472 nan 8.150 nan 0.000 0.408 18 V N 0.072 120.049 119.914 0.106 0.000 2.567 18 V HA 0.429 4.549 4.120 -0.000 0.000 0.289 18 V C -0.264 175.830 176.094 0.000 0.000 1.049 18 V CA -0.403 61.927 62.300 0.050 0.000 0.969 18 V CB 1.208 33.066 31.823 0.059 0.000 0.995 18 V HN 0.929 nan 8.190 nan 0.000 0.471 19 C N 4.212 123.475 119.300 -0.062 0.000 2.344 19 C HA 0.514 4.974 4.460 -0.000 0.000 0.326 19 C C 0.088 174.977 174.990 -0.168 0.000 1.201 19 C CA -0.802 58.166 59.018 -0.084 0.000 1.410 19 C CB 0.942 28.642 27.740 -0.067 0.000 2.070 19 C HN 0.656 nan 8.230 nan 0.000 0.445 20 V N 5.551 125.331 119.914 -0.223 0.000 2.488 20 V HA 0.188 4.308 4.120 -0.000 0.000 0.277 20 V C 0.238 176.178 176.094 -0.255 0.000 1.046 20 V CA -0.390 61.678 62.300 -0.386 0.000 0.986 20 V CB 0.680 31.984 31.823 -0.866 0.000 0.989 20 V HN 0.569 nan 8.190 nan 0.000 0.475 21 L N 4.424 125.516 121.223 -0.219 0.000 2.490 21 L HA 0.421 4.761 4.340 -0.000 0.000 0.274 21 L C 1.370 178.180 176.870 -0.100 0.000 1.201 21 L CA 1.620 56.380 54.840 -0.134 0.000 0.869 21 L CB -0.256 41.733 42.059 -0.117 0.000 1.123 21 L HN 1.007 nan 8.230 nan 0.000 0.484 22 G N 1.785 110.556 108.800 -0.048 0.000 2.175 22 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 22 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 22 G C 0.475 175.393 174.900 0.030 0.000 0.982 22 G CA 0.188 45.285 45.100 -0.005 0.000 0.641 22 G HN 0.663 nan 8.290 nan 0.000 0.527 23 T N 1.287 115.853 114.554 0.020 0.000 2.945 23 T HA 0.643 4.992 4.350 -0.000 0.000 0.286 23 T C -0.142 174.575 174.700 0.028 0.000 1.025 23 T CA -0.569 61.568 62.100 0.061 0.000 1.039 23 T CB 2.041 70.964 68.868 0.091 0.000 1.068 23 T HN 0.354 nan 8.240 nan 0.000 0.497 24 L N 2.992 124.237 121.223 0.036 0.000 2.260 24 L HA 0.461 4.801 4.340 -0.000 0.000 0.289 24 L C -0.688 176.191 176.870 0.015 0.000 1.057 24 L CA -0.067 54.783 54.840 0.016 0.000 0.811 24 L CB 0.487 42.556 42.059 0.016 0.000 1.184 24 L HN 0.659 nan 8.230 nan 0.000 0.429 25 T N 5.822 120.375 114.554 -0.001 0.000 2.779 25 T HA 0.480 4.829 4.350 -0.000 0.000 0.280 25 T C -0.320 174.369 174.700 -0.019 0.000 0.987 25 T CA -0.485 61.612 62.100 -0.005 0.000 0.966 25 T CB 1.629 70.489 68.868 -0.013 0.000 0.933 25 T HN 0.669 nan 8.240 nan 0.000 0.442 26 Q N 2.192 121.980 119.800 -0.019 0.000 2.399 26 Q HA 0.772 5.112 4.340 -0.000 0.000 0.276 26 Q C -1.614 174.360 176.000 -0.043 0.000 1.098 26 Q CA -1.257 54.526 55.803 -0.034 0.000 0.827 26 Q CB 1.642 30.363 28.738 -0.029 0.000 1.386 26 Q HN 0.270 nan 8.270 nan 0.000 0.443 27 L N 1.477 122.660 121.223 -0.066 0.000 2.329 27 L HA 0.353 4.693 4.340 -0.000 0.000 0.279 27 L C -0.870 175.946 176.870 -0.090 0.000 1.014 27 L CA -0.195 54.595 54.840 -0.083 0.000 0.814 27 L CB 1.655 43.642 42.059 -0.120 0.000 1.257 27 L HN 0.709 nan 8.230 nan 0.000 0.424 28 D N 3.228 123.584 120.400 -0.074 0.000 2.396 28 D HA 0.264 4.904 4.640 -0.000 0.000 0.225 28 D C 0.652 176.897 176.300 -0.091 0.000 1.121 28 D CA 0.109 54.065 54.000 -0.072 0.000 0.853 28 D CB 0.722 41.498 40.800 -0.039 0.000 1.043 28 D HN 0.457 nan 8.370 nan 0.000 0.500 29 I N 2.163 122.639 120.570 -0.156 0.000 3.462 29 I HA -0.036 4.134 4.170 -0.000 0.000 0.290 29 I C 1.869 177.958 176.117 -0.048 0.000 1.236 29 I CA 0.082 61.265 61.300 -0.194 0.000 1.418 29 I CB 0.484 38.115 38.000 -0.615 0.000 1.102 29 I HN 0.444 nan 8.210 nan 0.000 0.441 30 C N -0.545 118.720 119.300 -0.059 0.000 2.538 30 C HA -0.022 4.437 4.460 -0.000 0.000 0.281 30 C C 3.031 178.006 174.990 -0.025 0.000 1.320 30 C CA 0.572 59.581 59.018 -0.015 0.000 1.714 30 C CB -0.444 27.292 27.740 -0.006 0.000 2.095 30 C HN 0.413 nan 8.230 nan 0.000 0.497 31 S N 1.384 117.067 115.700 -0.028 0.000 2.393 31 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 31 S C 1.556 176.129 174.600 -0.045 0.000 1.061 31 S CA 2.247 60.430 58.200 -0.029 0.000 1.129 31 S CB -0.341 62.846 63.200 -0.022 0.000 1.011 31 S HN 0.688 nan 8.310 nan 0.000 0.436 32 S N 0.847 116.514 115.700 -0.056 0.000 2.573 32 S HA 0.571 5.041 4.470 -0.000 0.000 0.244 32 S C 0.168 174.649 174.600 -0.199 0.000 0.984 32 S CA -0.211 57.935 58.200 -0.090 0.000 1.001 32 S CB 0.398 63.564 63.200 -0.057 0.000 0.788 32 S HN 0.577 nan 8.310 nan 0.000 0.456 33 A N 3.218 125.893 122.820 -0.242 0.000 2.445 33 A HA 0.561 4.881 4.320 -0.000 0.000 0.242 33 A C -1.848 175.499 177.584 -0.395 0.000 1.075 33 A CA -0.910 50.812 52.037 -0.525 0.000 0.777 33 A CB -0.243 18.611 19.000 -0.243 0.000 1.013 33 A HN 0.222 nan 8.150 nan 0.000 0.493 34 P HA 0.639 nan 4.420 nan 0.000 0.297 34 P C -0.315 176.910 177.300 -0.126 0.000 1.303 34 P CA -0.265 62.695 63.100 -0.233 0.000 0.753 34 P CB 0.565 32.144 31.700 -0.201 0.000 1.281 39 S N 0.954 116.547 115.700 -0.179 0.000 2.569 39 S HA 0.893 5.362 4.470 -0.000 0.000 0.280 39 S C -1.649 172.723 174.600 -0.380 0.000 1.111 39 S CA -0.908 57.054 58.200 -0.397 0.000 0.887 39 S CB 1.833 64.547 63.200 -0.810 0.000 1.095 39 S HN 0.799 nan 8.310 nan 0.000 0.476 40 F N -0.709 119.070 119.950 -0.285 0.000 2.613 40 F HA 0.925 5.451 4.527 -0.001 0.000 0.314 40 F C -0.576 175.298 175.800 0.123 0.000 1.075 40 F CA -0.655 57.270 58.000 -0.125 0.000 0.945 40 F CB 1.226 40.114 39.000 -0.187 0.000 1.310 40 F HN 0.426 nan 8.300 nan 0.000 0.467 41 S N 1.544 117.458 115.700 0.356 0.000 2.599 41 S HA 0.759 5.229 4.470 -0.000 0.000 0.287 41 S C -1.771 172.986 174.600 0.262 0.000 1.105 41 S CA -0.623 57.743 58.200 0.275 0.000 0.899 41 S CB 1.994 65.348 63.200 0.256 0.000 1.100 41 S HN 0.728 nan 8.310 nan 0.000 0.482 42 I N 2.873 123.563 120.570 0.200 0.000 2.468 42 I HA 0.396 4.566 4.170 -0.000 0.000 0.284 42 I C -0.777 175.380 176.117 0.066 0.000 1.038 42 I CA -0.059 61.314 61.300 0.122 0.000 1.083 42 I CB 0.904 38.978 38.000 0.123 0.000 1.223 42 I HN 0.595 nan 8.210 nan 0.000 0.443 43 N N 5.630 124.345 118.700 0.025 0.000 2.342 43 N HA 0.856 5.596 4.740 -0.000 0.000 0.293 43 N C -1.415 174.082 175.510 -0.022 0.000 1.026 43 N CA -0.393 52.660 53.050 0.006 0.000 0.857 43 N CB 1.640 40.128 38.487 0.002 0.000 1.256 43 N HN 0.615 nan 8.380 nan 0.000 0.484 44 A N 1.572 124.379 122.820 -0.021 0.000 2.539 44 A HA 0.490 4.810 4.320 -0.000 0.000 0.296 44 A C -0.288 177.279 177.584 -0.028 0.000 1.073 44 A CA -0.708 51.307 52.037 -0.037 0.000 0.700 44 A CB 1.144 20.121 19.000 -0.038 0.000 1.296 44 A HN 0.687 nan 8.150 nan 0.000 0.405 45 S N 1.184 116.864 115.700 -0.033 0.000 2.576 45 S HA 0.332 4.802 4.470 -0.000 0.000 0.272 45 S C -1.764 172.826 174.600 -0.018 0.000 1.352 45 S CA -0.342 57.845 58.200 -0.021 0.000 1.021 45 S CB 0.238 63.427 63.200 -0.018 0.000 0.887 45 S HN 0.428 nan 8.310 nan 0.000 0.542 46 P HA 0.096 nan 4.420 nan 0.000 0.228 46 P C 1.384 178.675 177.300 -0.014 0.000 1.151 46 P CA 1.082 64.176 63.100 -0.011 0.000 0.770 46 P CB -0.491 31.205 31.700 -0.008 0.000 0.786 47 G N -0.619 108.171 108.800 -0.017 0.000 2.572 47 G HA2 0.006 3.966 3.960 -0.000 0.000 0.216 47 G HA3 0.006 3.966 3.960 -0.000 0.000 0.216 47 G C 0.312 175.196 174.900 -0.027 0.000 1.133 47 G CA 0.162 45.248 45.100 -0.022 0.000 0.791 47 G HN 0.201 nan 8.290 nan 0.000 0.538 48 V N 1.150 121.048 119.914 -0.027 0.000 2.398 48 V HA 0.391 4.511 4.120 -0.000 0.000 0.286 48 V C -0.375 175.703 176.094 -0.027 0.000 1.026 48 V CA -0.799 61.482 62.300 -0.032 0.000 0.868 48 V CB 1.906 33.706 31.823 -0.038 0.000 0.982 48 V HN -0.076 nan 8.190 nan 0.000 0.443 49 V N 5.998 125.896 119.914 -0.027 0.000 2.328 49 V HA 0.335 4.454 4.120 -0.000 0.000 0.278 49 V C 0.103 176.179 176.094 -0.031 0.000 1.021 49 V CA -0.572 61.715 62.300 -0.023 0.000 0.838 49 V CB 1.571 33.383 31.823 -0.019 0.000 0.999 49 V HN 0.748 nan 8.190 nan 0.000 0.447 50 V N 2.236 122.131 119.914 -0.032 0.000 2.465 50 V HA 0.642 4.762 4.120 -0.000 0.000 0.279 50 V C -0.436 175.624 176.094 -0.057 0.000 1.045 50 V CA -0.212 62.057 62.300 -0.052 0.000 0.938 50 V CB 1.500 33.288 31.823 -0.059 0.000 0.986 50 V HN 0.776 nan 8.190 nan 0.000 0.467 51 D N 5.228 125.582 120.400 -0.076 0.000 2.498 51 D HA 0.693 5.333 4.640 -0.000 0.000 0.247 51 D C -0.461 175.750 176.300 -0.148 0.000 1.070 51 D CA -0.059 53.893 54.000 -0.078 0.000 0.842 51 D CB 3.015 43.789 40.800 -0.043 0.000 1.361 51 D HN 0.800 nan 8.370 nan 0.000 0.484 68 W N 2.237 123.312 121.300 -0.375 0.000 2.936 68 W HA 0.604 5.263 4.660 -0.001 0.000 0.338 68 W C -2.924 173.274 176.519 -0.535 0.000 1.121 68 W CA -1.997 55.029 57.345 -0.532 0.000 1.209 68 W CB 2.155 31.098 29.460 -0.863 0.000 1.420 68 W HN -0.086 nan 8.180 nan 0.000 0.516 69 P HA 0.247 nan 4.420 nan 0.000 0.281 69 P C -0.391 177.029 177.300 0.201 0.000 1.264 69 P CA -0.457 62.660 63.100 0.029 0.000 0.824 69 P CB 1.672 33.403 31.700 0.052 0.000 1.092 70 L N 1.277 122.628 121.223 0.213 0.000 2.727 70 L HA 0.186 4.526 4.340 -0.000 0.000 0.237 70 L C 0.158 177.137 176.870 0.182 0.000 1.370 70 L CA -0.055 54.963 54.840 0.296 0.000 1.248 70 L CB -1.132 41.064 42.059 0.227 0.000 1.556 70 L HN 0.272 nan 8.230 nan 0.000 0.420 71 D N 0.297 120.810 120.400 0.189 0.000 2.274 71 D HA 0.216 4.855 4.640 -0.000 0.000 0.239 71 D C -1.555 174.806 176.300 0.102 0.000 1.104 71 D CA -2.270 51.802 54.000 0.121 0.000 0.840 71 D CB 1.768 42.635 40.800 0.111 0.000 1.100 71 D HN 0.023 nan 8.370 nan 0.000 0.477 72 P HA -0.059 nan 4.420 nan 0.000 0.216 72 P C 1.303 178.621 177.300 0.030 0.000 1.153 72 P CA 1.245 64.365 63.100 0.034 0.000 0.858 72 P CB 0.162 31.875 31.700 0.022 0.000 0.789 73 G N -0.742 108.080 108.800 0.038 0.000 2.509 73 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 73 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 73 G C 0.436 175.357 174.900 0.034 0.000 1.124 73 G CA -0.007 45.112 45.100 0.031 0.000 0.776 73 G HN 0.331 nan 8.290 nan 0.000 0.547 74 V N 1.175 121.120 119.914 0.052 0.000 2.461 74 V HA 0.293 4.413 4.120 -0.000 0.000 0.275 74 V C -0.405 175.690 176.094 0.003 0.000 1.047 74 V CA -0.765 61.561 62.300 0.045 0.000 0.955 74 V CB 1.152 33.029 31.823 0.091 0.000 0.988 74 V HN 0.337 nan 8.190 nan 0.000 0.471 75 E N 4.649 124.831 120.200 -0.029 0.000 2.231 75 E HA 0.509 4.859 4.350 -0.000 0.000 0.277 75 E C -1.202 175.337 176.600 -0.101 0.000 0.999 75 E CA -0.586 55.783 56.400 -0.053 0.000 0.827 75 E CB 2.213 31.892 29.700 -0.036 0.000 1.101 75 E HN 0.512 nan 8.360 nan 0.000 0.393 76 V N 2.484 122.336 119.914 -0.104 0.000 2.407 76 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 76 V C -0.011 176.026 176.094 -0.096 0.000 1.018 76 V CA -0.615 61.607 62.300 -0.130 0.000 0.842 76 V CB 1.663 33.401 31.823 -0.141 0.000 0.996 76 V HN 0.676 nan 8.190 nan 0.000 0.426 77 T N 5.607 120.108 114.554 -0.089 0.000 2.885 77 T HA 0.786 5.136 4.350 -0.000 0.000 0.285 77 T C -1.359 173.305 174.700 -0.059 0.000 1.019 77 T CA -0.436 61.627 62.100 -0.062 0.000 1.010 77 T CB 1.247 70.087 68.868 -0.046 0.000 1.022 77 T HN 0.296 nan 8.240 nan 0.000 0.466 78 L N 3.640 124.834 121.223 -0.048 0.000 2.409 78 L HA 0.681 5.021 4.340 -0.000 0.000 0.272 78 L C 0.009 176.856 176.870 -0.038 0.000 0.980 78 L CA -0.274 54.538 54.840 -0.046 0.000 0.826 78 L CB 1.950 43.980 42.059 -0.049 0.000 1.268 78 L HN 0.899 nan 8.230 nan 0.000 0.407 79 T N 3.045 117.577 114.554 -0.037 0.000 2.886 79 T HA 0.721 5.071 4.350 -0.000 0.000 0.292 79 T C -0.548 174.130 174.700 -0.037 0.000 1.012 79 T CA -0.539 61.541 62.100 -0.034 0.000 0.982 79 T CB 0.969 69.820 68.868 -0.028 0.000 1.018 79 T HN 0.409 nan 8.240 nan 0.000 0.451 80 M N 3.796 123.370 119.600 -0.044 0.000 2.423 80 M HA 0.517 4.997 4.480 -0.000 0.000 0.335 80 M C 1.125 177.398 176.300 -0.046 0.000 1.177 80 M CA -0.351 54.921 55.300 -0.047 0.000 1.038 80 M CB 1.719 34.283 32.600 -0.060 0.000 1.641 80 M HN 0.724 nan 8.290 nan 0.000 0.455 81 K N 1.040 121.415 120.400 -0.041 0.000 2.276 81 K HA 0.401 4.721 4.320 -0.000 0.000 0.198 81 K C -0.303 176.272 176.600 -0.043 0.000 1.052 81 K CA 0.241 56.506 56.287 -0.037 0.000 0.984 81 K CB 0.645 33.128 32.500 -0.028 0.000 0.836 81 K HN 0.704 nan 8.250 nan 0.000 0.490 82 A N 0.665 123.457 122.820 -0.048 0.000 2.435 82 A HA 0.695 5.015 4.320 -0.000 0.000 0.304 82 A C -0.918 176.624 177.584 -0.071 0.000 1.064 82 A CA -0.793 51.213 52.037 -0.052 0.000 0.727 82 A CB 1.304 20.279 19.000 -0.040 0.000 1.284 82 A HN 0.172 nan 8.150 nan 0.000 0.415 83 A N 1.326 124.096 122.820 -0.084 0.000 2.586 83 A HA 0.440 4.760 4.320 -0.000 0.000 0.231 83 A C 0.841 178.368 177.584 -0.094 0.000 1.055 83 A CA 0.613 52.583 52.037 -0.112 0.000 0.756 83 A CB -0.344 18.588 19.000 -0.114 0.000 0.988 83 A HN 1.077 nan 8.150 nan 0.000 0.509 84 S N 0.853 116.484 115.700 -0.115 0.000 2.585 84 S HA 0.395 4.864 4.470 -0.000 0.000 0.273 84 S C 1.580 176.141 174.600 -0.066 0.000 1.339 84 S CA 0.114 58.266 58.200 -0.081 0.000 1.028 84 S CB 1.373 64.522 63.200 -0.084 0.000 0.906 84 S HN 1.027 nan 8.310 nan 0.000 0.528 85 G N 0.837 109.617 108.800 -0.034 0.000 2.595 85 G HA2 0.223 4.183 3.960 -0.000 0.000 0.213 85 G HA3 0.223 4.183 3.960 -0.000 0.000 0.213 85 G C 0.063 174.961 174.900 -0.004 0.000 1.141 85 G CA 0.221 45.311 45.100 -0.017 0.000 0.806 85 G HN 0.747 nan 8.290 nan 0.000 0.530 86 S N -1.169 114.532 115.700 0.001 0.000 2.579 86 S HA 0.495 4.965 4.470 -0.000 0.000 0.272 86 S C -0.644 173.973 174.600 0.030 0.000 1.141 86 S CA -0.654 57.558 58.200 0.019 0.000 0.843 86 S CB 1.267 64.480 63.200 0.021 0.000 1.122 86 S HN 0.007 nan 8.310 nan 0.000 0.468 87 T N 1.817 116.404 114.554 0.056 0.000 2.923 87 T HA 0.382 4.732 4.350 -0.000 0.000 0.304 87 T C 1.530 176.271 174.700 0.069 0.000 1.044 87 T CA 1.298 63.447 62.100 0.082 0.000 1.141 87 T CB -0.547 68.376 68.868 0.093 0.000 1.023 87 T HN 1.972 nan 8.240 nan 0.000 0.533 88 G N 3.441 112.297 108.800 0.094 0.000 2.269 88 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.277 88 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.277 88 G C 0.678 175.651 174.900 0.121 0.000 1.008 88 G CA 0.557 45.729 45.100 0.120 0.000 0.774 88 G HN 1.002 nan 8.290 nan 0.000 0.511 89 D N -0.860 119.580 120.400 0.067 0.000 2.363 89 D HA 0.043 4.683 4.640 -0.000 0.000 0.226 89 D C 0.690 177.015 176.300 0.042 0.000 1.020 89 D CA 0.774 54.805 54.000 0.052 0.000 0.892 89 D CB 0.213 41.027 40.800 0.023 0.000 0.900 89 D HN 0.369 nan 8.370 nan 0.000 0.531 90 Q N 0.180 120.005 119.800 0.041 0.000 2.345 90 Q HA 0.496 4.835 4.340 -0.000 0.000 0.268 90 Q C -0.390 175.610 176.000 0.001 0.000 1.054 90 Q CA -0.498 55.311 55.803 0.011 0.000 0.835 90 Q CB 2.717 31.447 28.738 -0.014 0.000 1.339 90 Q HN 0.096 nan 8.270 nan 0.000 0.447 91 K N 0.719 121.090 120.400 -0.048 0.000 2.371 91 K HA 0.716 5.035 4.320 -0.000 0.000 0.251 91 K C -1.037 175.475 176.600 -0.147 0.000 0.934 91 K CA -0.806 55.392 56.287 -0.149 0.000 0.798 91 K CB 2.394 34.800 32.500 -0.155 0.000 1.204 91 K HN 0.269 nan 8.250 nan 0.000 0.427 92 V N 1.919 121.708 119.914 -0.207 0.000 2.588 92 V HA 0.352 4.472 4.120 -0.000 0.000 0.304 92 V C -0.722 175.263 176.094 -0.181 0.000 1.042 92 V CA -0.876 61.331 62.300 -0.155 0.000 0.877 92 V CB 1.707 33.453 31.823 -0.127 0.000 0.996 92 V HN 0.741 nan 8.190 nan 0.000 0.425 93 Q N 3.629 123.355 119.800 -0.124 0.000 2.310 93 Q HA 0.683 5.023 4.340 -0.000 0.000 0.270 93 Q C -1.934 174.018 176.000 -0.080 0.000 1.025 93 Q CA -0.659 55.080 55.803 -0.107 0.000 0.772 93 Q CB 1.970 30.660 28.738 -0.081 0.000 1.253 93 Q HN 0.732 nan 8.270 nan 0.000 0.450 94 I N 2.422 122.927 120.570 -0.109 0.000 2.378 94 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 94 I C -0.564 175.435 176.117 -0.198 0.000 0.992 94 I CA -0.179 61.012 61.300 -0.181 0.000 1.154 94 I CB 2.155 39.948 38.000 -0.344 0.000 1.315 94 I HN 0.447 nan 8.210 nan 0.000 0.448 95 S N 5.844 121.489 115.700 -0.091 0.000 2.448 95 S HA 0.521 4.991 4.470 -0.000 0.000 0.320 95 S C -0.805 173.856 174.600 0.101 0.000 1.071 95 S CA -0.603 57.626 58.200 0.048 0.000 1.113 95 S CB 0.041 63.319 63.200 0.130 0.000 0.972 95 S HN 0.283 nan 8.310 nan 0.000 0.465 96 Y N 2.977 123.418 120.300 0.235 0.000 2.313 96 Y HA 0.531 5.081 4.550 -0.000 0.000 0.332 96 Y C 0.180 176.232 175.900 0.252 0.000 1.071 96 Y CA -0.765 57.453 58.100 0.196 0.000 1.169 96 Y CB 0.446 38.964 38.460 0.098 0.000 1.192 96 Y HN 0.744 nan 8.280 nan 0.000 0.487 97 Y N -0.328 120.110 120.300 0.231 0.000 2.638 97 Y HA 0.965 5.514 4.550 -0.000 0.000 0.335 97 Y C -0.505 175.462 175.900 0.112 0.000 1.155 97 Y CA -1.850 56.333 58.100 0.139 0.000 1.046 97 Y CB 1.299 39.814 38.460 0.091 0.000 1.303 97 Y HN 0.721 nan 8.280 nan 0.000 0.460 98 G N -0.231 108.696 108.800 0.212 0.000 2.788 98 G HA2 0.521 4.481 3.960 -0.000 0.000 0.293 98 G HA3 0.521 4.481 3.960 -0.000 0.000 0.293 98 G C -2.559 172.431 174.900 0.151 0.000 1.392 98 G CA -1.788 43.382 45.100 0.118 0.000 0.810 98 G HN 0.384 nan 8.290 nan 0.000 0.508 99 P HA -0.100 nan 4.420 nan 0.000 0.218 99 P C 0.930 178.271 177.300 0.068 0.000 1.154 99 P CA 1.561 64.706 63.100 0.076 0.000 0.872 99 P CB 0.201 31.930 31.700 0.048 0.000 0.790 100 K N -2.474 117.964 120.400 0.064 0.000 2.564 100 K HA 0.190 4.510 4.320 -0.000 0.000 0.201 100 K C -0.434 176.201 176.600 0.057 0.000 1.086 100 K CA 0.060 56.378 56.287 0.051 0.000 1.062 100 K CB 0.947 33.468 32.500 0.036 0.000 0.849 100 K HN -0.008 nan 8.250 nan 0.000 0.529 101 T N 2.972 117.575 114.554 0.082 0.000 2.770 101 T HA 0.307 4.657 4.350 -0.000 0.000 0.283 101 T C -2.615 172.147 174.700 0.104 0.000 0.988 101 T CA -1.723 60.429 62.100 0.087 0.000 0.957 101 T CB 1.535 70.462 68.868 0.099 0.000 0.930 101 T HN -0.119 nan 8.240 nan 0.000 0.443 102 P HA 0.211 nan 4.420 nan 0.000 0.265 102 P C -2.467 174.897 177.300 0.107 0.000 1.193 102 P CA -1.073 62.070 63.100 0.071 0.000 0.765 102 P CB -0.425 31.305 31.700 0.049 0.000 0.823 103 P HA 0.017 nan 4.420 nan 0.000 0.265 103 P C -0.752 176.640 177.300 0.153 0.000 1.193 103 P CA 0.092 63.290 63.100 0.164 0.000 0.765 103 P CB 0.234 31.986 31.700 0.085 0.000 0.823 104 V N 0.544 120.588 119.914 0.217 0.000 2.459 104 V HA 0.536 4.656 4.120 -0.000 0.000 0.295 104 V C -0.219 176.030 176.094 0.257 0.000 1.029 104 V CA -0.914 61.507 62.300 0.202 0.000 0.874 104 V CB 1.717 33.645 31.823 0.174 0.000 0.985 104 V HN 0.279 nan 8.190 nan 0.000 0.438 105 K N 3.367 123.868 120.400 0.169 0.000 2.185 105 K HA 0.823 5.142 4.320 -0.000 0.000 0.269 105 K C -0.205 176.480 176.600 0.142 0.000 0.987 105 K CA -0.237 56.125 56.287 0.125 0.000 0.865 105 K CB 2.057 34.594 32.500 0.062 0.000 1.090 105 K HN 1.040 nan 8.250 nan 0.000 0.450 106 A N 3.895 126.792 122.820 0.128 0.000 2.317 106 A HA 0.591 4.911 4.320 -0.000 0.000 0.327 106 A C -0.801 176.771 177.584 -0.021 0.000 1.178 106 A CA -0.797 51.299 52.037 0.099 0.000 0.817 106 A CB 0.456 19.570 19.000 0.189 0.000 1.189 106 A HN 0.665 nan 8.150 nan 0.000 0.489 107 L N 2.586 123.776 121.223 -0.055 0.000 2.313 107 L HA 0.502 4.842 4.340 -0.000 0.000 0.283 107 L C -0.982 175.732 176.870 -0.260 0.000 1.013 107 L CA -0.768 53.946 54.840 -0.210 0.000 0.816 107 L CB 1.595 43.509 42.059 -0.241 0.000 1.236 107 L HN 0.630 nan 8.230 nan 0.000 0.419 108 L N 4.027 125.046 121.223 -0.341 0.000 2.325 108 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 108 L C -1.218 175.394 176.870 -0.431 0.000 1.004 108 L CA -0.061 54.612 54.840 -0.279 0.000 0.823 108 L CB 1.052 43.019 42.059 -0.153 0.000 1.236 108 L HN 0.251 nan 8.230 nan 0.000 0.415 109 Y N 5.920 126.074 120.300 -0.243 0.000 2.353 109 Y HA 0.516 5.066 4.550 -0.000 0.000 0.340 109 Y C -0.344 175.473 175.900 -0.139 0.000 0.972 109 Y CA -0.753 57.206 58.100 -0.235 0.000 1.157 109 Y CB 1.054 39.262 38.460 -0.420 0.000 1.157 109 Y HN 0.330 nan 8.280 nan 0.000 0.495 110 L N 3.049 124.296 121.223 0.041 0.000 2.334 110 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 110 L C 0.054 176.946 176.870 0.036 0.000 1.036 110 L CA -0.570 54.285 54.840 0.026 0.000 0.807 110 L CB 1.829 43.879 42.059 -0.015 0.000 1.231 110 L HN 0.539 nan 8.230 nan 0.000 0.438 111 T N 1.802 116.369 114.554 0.023 0.000 2.847 111 T HA 0.677 5.026 4.350 -0.000 0.000 0.291 111 T C -0.123 174.522 174.700 -0.092 0.000 0.998 111 T CA -0.509 61.584 62.100 -0.013 0.000 0.967 111 T CB 1.553 70.446 68.868 0.042 0.000 0.954 111 T HN 0.682 nan 8.240 nan 0.000 0.441 112 A N 3.139 125.883 122.820 -0.125 0.000 2.309 112 A HA 0.844 5.164 4.320 -0.000 0.000 0.298 112 A C 0.241 177.662 177.584 -0.272 0.000 1.165 112 A CA -0.599 51.337 52.037 -0.168 0.000 0.821 112 A CB 0.290 19.217 19.000 -0.122 0.000 1.102 112 A HN 1.010 nan 8.150 nan 0.000 0.500 113 V N -0.224 119.491 119.914 -0.331 0.000 3.078 113 V HA 0.692 4.812 4.120 -0.000 0.000 0.311 113 V C -0.616 175.295 176.094 -0.304 0.000 1.138 113 V CA -0.837 61.216 62.300 -0.412 0.000 1.007 113 V CB 1.852 33.237 31.823 -0.731 0.000 1.045 113 V HN 0.863 nan 8.190 nan 0.000 0.432 114 E N 2.201 122.259 120.200 -0.237 0.000 2.113 114 E HA 0.561 4.910 4.350 -0.000 0.000 0.273 114 E C -1.409 175.121 176.600 -0.117 0.000 0.924 114 E CA -0.659 55.647 56.400 -0.158 0.000 0.764 114 E CB 1.602 31.247 29.700 -0.093 0.000 1.104 114 E HN 0.618 nan 8.360 nan 0.000 0.406 115 I N 3.745 124.234 120.570 -0.134 0.000 2.537 115 I HA 0.149 4.319 4.170 -0.000 0.000 0.276 115 I C -0.522 175.643 176.117 0.080 0.000 1.063 115 I CA -0.535 60.761 61.300 -0.005 0.000 1.144 115 I CB 0.627 38.620 38.000 -0.012 0.000 1.252 115 I HN 0.262 nan 8.210 nan 0.000 0.480 116 S N 6.195 121.949 115.700 0.091 0.000 2.519 116 S HA 0.627 5.097 4.470 -0.000 0.000 0.309 116 S C -0.514 174.150 174.600 0.107 0.000 1.100 116 S CA -0.762 57.500 58.200 0.104 0.000 1.059 116 S CB 2.587 65.820 63.200 0.054 0.000 1.008 116 S HN 0.445 nan 8.310 nan 0.000 0.478 117 L N 3.156 124.441 121.223 0.104 0.000 2.255 117 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 117 L C -0.860 176.030 176.870 0.033 0.000 1.046 117 L CA -0.440 54.445 54.840 0.075 0.000 0.816 117 L CB 0.325 42.411 42.059 0.045 0.000 1.197 117 L HN 0.874 nan 8.230 nan 0.000 0.427 118 C N 3.944 123.266 119.300 0.036 0.000 2.435 118 C HA 0.946 5.405 4.460 -0.000 0.000 0.333 118 C C 0.464 175.453 174.990 -0.003 0.000 1.202 118 C CA -0.527 58.491 59.018 -0.000 0.000 1.830 118 C CB 1.160 28.899 27.740 -0.001 0.000 2.326 118 C HN 0.929 nan 8.230 nan 0.000 0.507 119 A N 0.843 123.632 122.820 -0.051 0.000 2.583 119 A HA 0.671 4.991 4.320 -0.000 0.000 0.289 119 A C -1.089 176.445 177.584 -0.084 0.000 1.151 119 A CA -0.244 51.764 52.037 -0.048 0.000 0.695 119 A CB 0.766 19.685 19.000 -0.135 0.000 1.290 119 A HN 0.707 nan 8.150 nan 0.000 0.419 120 D N 1.213 121.571 120.400 -0.070 0.000 2.688 120 D HA 0.138 4.777 4.640 -0.000 0.000 0.228 120 D C 1.300 177.495 176.300 -0.174 0.000 1.116 120 D CA -0.019 53.921 54.000 -0.100 0.000 1.023 120 D CB -0.632 40.128 40.800 -0.067 0.000 1.100 120 D HN 0.475 nan 8.370 nan 0.000 0.487 121 I N -0.771 119.681 120.570 -0.197 0.000 2.676 121 I HA -0.077 4.093 4.170 -0.000 0.000 0.259 121 I C 1.575 177.509 176.117 -0.303 0.000 1.194 121 I CA 1.039 62.179 61.300 -0.267 0.000 1.473 121 I CB -0.502 37.353 38.000 -0.241 0.000 1.096 121 I HN 0.139 nan 8.210 nan 0.000 0.443 122 T N -1.589 112.823 114.554 -0.236 0.000 3.107 122 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 122 T C 0.893 175.446 174.700 -0.246 0.000 1.096 122 T CA -0.222 61.743 62.100 -0.224 0.000 1.012 122 T CB -0.262 68.518 68.868 -0.146 0.000 0.977 122 T HN 0.527 nan 8.240 nan 0.000 0.527 123 R N 0.616 120.935 120.500 -0.301 0.000 3.423 123 R HA -0.132 4.208 4.340 -0.000 0.000 0.271 123 R C 0.731 176.924 176.300 -0.178 0.000 1.093 123 R CA 0.950 56.812 56.100 -0.398 0.000 0.730 123 R CB -3.040 26.791 30.300 -0.782 0.000 1.190 123 R HN 0.703 nan 8.270 nan 0.000 0.437 124 T N -4.502 109.993 114.554 -0.099 0.000 3.044 124 T HA 0.380 4.729 4.350 -0.000 0.000 0.260 124 T C 1.443 176.146 174.700 0.005 0.000 1.019 124 T CA 0.408 62.493 62.100 -0.026 0.000 0.921 124 T CB 1.266 70.115 68.868 -0.032 0.000 1.053 124 T HN 0.828 nan 8.240 nan 0.000 0.533 125 G N 2.041 110.845 108.800 0.006 0.000 2.179 125 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.260 125 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.260 125 G C 0.197 175.107 174.900 0.016 0.000 0.977 125 G CA 0.191 45.318 45.100 0.045 0.000 0.641 125 G HN 0.768 nan 8.290 nan 0.000 0.533 137 R N -0.001 120.476 120.500 -0.037 0.000 2.310 137 R HA 0.077 4.417 4.340 -0.000 0.000 0.202 137 R C 0.626 176.914 176.300 -0.020 0.000 0.933 137 R CA 0.956 57.036 56.100 -0.033 0.000 1.054 137 R CB 0.473 30.761 30.300 -0.021 0.000 0.985 137 R HN 0.644 nan 8.270 nan 0.000 0.489 138 T N -3.939 110.606 114.554 -0.014 0.000 2.916 138 T HA 0.286 4.636 4.350 -0.000 0.000 0.292 138 T C -1.316 173.407 174.700 0.040 0.000 1.064 138 T CA -0.872 61.250 62.100 0.036 0.000 1.011 138 T CB 1.722 70.621 68.868 0.051 0.000 1.152 138 T HN 0.235 nan 8.240 nan 0.000 0.510 139 W N 3.194 124.447 121.300 -0.079 0.000 2.335 139 W HA 0.508 5.168 4.660 0.000 0.000 0.306 139 W C 0.052 176.510 176.519 -0.102 0.000 1.216 139 W CA -0.123 57.147 57.345 -0.126 0.000 1.237 139 W CB 0.882 30.255 29.460 -0.146 0.000 1.243 139 W HN 0.994 nan 8.180 nan 0.000 0.493 140 T N 2.279 116.630 114.554 -0.338 0.000 2.841 140 T HA 0.414 4.764 4.350 -0.000 0.000 0.283 140 T C -0.708 173.736 174.700 -0.426 0.000 1.000 140 T CA -0.784 61.227 62.100 -0.148 0.000 0.977 140 T CB 0.699 69.511 68.868 -0.092 0.000 0.979 140 T HN 0.394 nan 8.240 nan 0.000 0.446 141 W N 1.632 122.987 121.300 0.091 0.000 2.150 141 W HA 0.517 5.176 4.660 -0.002 0.000 0.341 141 W C 1.252 177.779 176.519 0.013 0.000 1.276 141 W CA 1.559 59.008 57.345 0.174 0.000 1.238 141 W CB 0.206 29.847 29.460 0.301 0.000 1.128 141 W HN 1.427 nan 8.180 nan 0.000 0.581 142 G N 1.705 110.683 108.800 0.297 0.000 2.612 142 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 142 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 142 G C -2.235 172.694 174.900 0.049 0.000 1.274 142 G CA -0.719 44.485 45.100 0.173 0.000 0.849 142 G HN 0.282 nan 8.290 nan 0.000 0.595 143 P HA 0.100 nan 4.420 nan 0.000 0.223 143 P C 1.354 178.632 177.300 -0.036 0.000 1.151 143 P CA 1.565 64.651 63.100 -0.024 0.000 0.787 143 P CB 0.132 31.814 31.700 -0.031 0.000 0.788 144 C N -0.983 118.298 119.300 -0.033 0.000 2.688 144 C HA 0.516 4.976 4.460 -0.000 0.000 0.297 144 C C 1.504 176.441 174.990 -0.088 0.000 1.308 144 C CA -0.615 58.371 59.018 -0.053 0.000 1.726 144 C CB -1.039 26.681 27.740 -0.033 0.000 1.982 144 C HN 0.168 nan 8.230 nan 0.000 0.604 145 G N 0.028 108.753 108.800 -0.126 0.000 2.535 145 G HA2 0.562 4.522 3.960 -0.000 0.000 0.303 145 G HA3 0.562 4.522 3.960 -0.000 0.000 0.303 145 G C -0.955 173.734 174.900 -0.352 0.000 1.237 145 G CA -0.019 44.944 45.100 -0.229 0.000 0.986 145 G HN 0.425 nan 8.290 nan 0.000 0.494 146 Q N -1.650 117.848 119.800 -0.504 0.000 2.416 146 Q HA 0.570 4.910 4.340 -0.000 0.000 0.281 146 Q C -0.670 174.800 176.000 -0.884 0.000 1.067 146 Q CA -0.519 54.957 55.803 -0.545 0.000 0.809 146 Q CB 2.756 31.288 28.738 -0.342 0.000 1.418 146 Q HN 1.316 nan 8.270 nan 0.000 0.411 147 G N 0.303 108.633 108.800 -0.784 0.000 2.634 147 G HA2 0.332 4.292 3.960 -0.000 0.000 0.568 147 G HA3 0.332 4.292 3.960 -0.000 0.000 0.568 147 G C -1.306 173.326 174.900 -0.446 0.000 1.495 147 G CA -0.393 44.204 45.100 -0.838 0.000 0.903 147 G HN 0.659 nan 8.290 nan 0.000 0.646 148 A N 1.119 123.841 122.820 -0.164 0.000 2.304 148 A HA 0.874 5.194 4.320 -0.000 0.000 0.271 148 A C 0.217 177.966 177.584 0.275 0.000 1.091 148 A CA -0.207 51.792 52.037 -0.064 0.000 0.812 148 A CB 0.524 19.396 19.000 -0.214 0.000 1.056 148 A HN 1.184 nan 8.150 nan 0.000 0.489 149 I N 0.334 121.051 120.570 0.246 0.000 2.474 149 I HA 0.429 4.598 4.170 -0.000 0.000 0.294 149 I C -0.437 175.907 176.117 0.379 0.000 1.005 149 I CA -0.011 61.483 61.300 0.323 0.000 1.113 149 I CB 1.725 39.834 38.000 0.183 0.000 1.289 149 I HN 0.502 nan 8.210 nan 0.000 0.436 150 L N 6.195 127.599 121.223 0.303 0.000 2.365 150 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 150 L C -0.983 175.969 176.870 0.136 0.000 1.000 150 L CA -0.724 54.215 54.840 0.165 0.000 0.819 150 L CB 1.724 43.797 42.059 0.023 0.000 1.284 150 L HN 0.426 nan 8.230 nan 0.000 0.418 151 L N 3.730 125.031 121.223 0.130 0.000 2.325 151 L HA 0.434 4.773 4.340 -0.000 0.000 0.279 151 L C -0.238 176.611 176.870 -0.036 0.000 1.054 151 L CA -0.968 53.910 54.840 0.062 0.000 0.804 151 L CB 1.839 43.965 42.059 0.113 0.000 1.200 151 L HN 0.262 nan 8.230 nan 0.000 0.436 152 V N 1.841 121.636 119.914 -0.197 0.000 2.572 152 V HA -0.025 4.094 4.120 -0.000 0.000 0.291 152 V C 0.633 176.692 176.094 -0.059 0.000 1.039 152 V CA -0.258 61.891 62.300 -0.250 0.000 1.055 152 V CB 0.830 32.242 31.823 -0.686 0.000 0.969 152 V HN 0.666 nan 8.190 nan 0.000 0.482 153 N N 3.501 122.203 118.700 0.003 0.000 3.331 153 N HA 0.080 4.820 4.740 -0.000 0.000 0.303 153 N C 0.616 176.182 175.510 0.094 0.000 1.326 153 N CA -0.309 52.779 53.050 0.064 0.000 1.207 153 N CB -0.145 38.385 38.487 0.072 0.000 1.477 153 N HN 0.879 nan 8.380 nan 0.000 0.541 154 C N -0.757 118.626 119.300 0.138 0.000 2.780 154 C HA 0.342 4.802 4.460 -0.000 0.000 0.287 154 C C 0.586 175.717 174.990 0.234 0.000 1.288 154 C CA -0.995 58.145 59.018 0.205 0.000 1.713 154 C CB -1.364 26.561 27.740 0.310 0.000 1.955 154 C HN 0.490 nan 8.230 nan 0.000 0.613 155 D N 0.895 121.409 120.400 0.190 0.000 2.529 155 D HA 0.263 4.902 4.640 -0.000 0.000 0.273 155 D C -0.371 176.003 176.300 0.124 0.000 1.197 155 D CA -0.646 53.467 54.000 0.188 0.000 1.070 155 D CB 0.656 41.570 40.800 0.189 0.000 1.134 155 D HN 0.396 nan 8.370 nan 0.000 0.590 156 R N -0.065 120.500 120.500 0.108 0.000 2.629 156 R HA 0.173 4.513 4.340 -0.000 0.000 0.275 156 R C -0.579 175.751 176.300 0.051 0.000 1.719 156 R CA -0.433 55.703 56.100 0.059 0.000 1.472 156 R CB 0.345 30.665 30.300 0.034 0.000 1.237 156 R HN 0.284 nan 8.270 nan 0.000 0.589 157 D N 0.321 120.746 120.400 0.041 0.000 2.277 157 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 157 D C 0.115 176.421 176.300 0.009 0.000 0.962 157 D CA 0.686 54.703 54.000 0.027 0.000 0.865 157 D CB 0.280 41.090 40.800 0.017 0.000 0.939 157 D HN 0.449 nan 8.370 nan 0.000 0.510 158 N N 2.043 120.744 118.700 0.001 0.000 2.497 158 N HA -0.001 4.739 4.740 -0.000 0.000 0.268 158 N C 0.243 175.748 175.510 -0.008 0.000 1.171 158 N CA -0.315 52.729 53.050 -0.010 0.000 0.948 158 N CB 0.835 39.313 38.487 -0.015 0.000 1.069 158 N HN 0.012 nan 8.380 nan 0.000 0.460 159 L N 1.527 122.744 121.223 -0.010 0.000 2.584 159 L HA 0.098 4.438 4.340 -0.000 0.000 0.272 159 L C 0.347 177.209 176.870 -0.013 0.000 1.195 159 L CA 0.141 54.975 54.840 -0.009 0.000 0.920 159 L CB -0.374 41.679 42.059 -0.009 0.000 1.173 159 L HN 0.655 nan 8.230 nan 0.000 0.489 160 E N 0.668 120.860 120.200 -0.014 0.000 2.883 160 E HA -0.200 4.150 4.350 -0.000 0.000 0.271 160 E C 0.092 176.679 176.600 -0.021 0.000 1.049 160 E CA 1.229 57.618 56.400 -0.018 0.000 0.817 160 E CB -1.152 28.539 29.700 -0.015 0.000 1.407 160 E HN 0.847 nan 8.360 nan 0.000 0.434 161 S N -1.623 114.064 115.700 -0.022 0.000 2.646 161 S HA 0.498 4.968 4.470 -0.000 0.000 0.276 161 S C 1.038 175.616 174.600 -0.037 0.000 1.222 161 S CA -0.001 58.183 58.200 -0.026 0.000 1.014 161 S CB 1.294 64.481 63.200 -0.022 0.000 0.991 161 S HN 0.164 nan 8.310 nan 0.000 0.533 162 S N 1.158 116.831 115.700 -0.046 0.000 2.523 162 S HA 0.353 4.823 4.470 -0.000 0.000 0.217 162 S C 0.388 174.938 174.600 -0.083 0.000 0.996 162 S CA -0.307 57.852 58.200 -0.068 0.000 0.921 162 S CB 0.428 63.585 63.200 -0.071 0.000 0.829 162 S HN 0.771 nan 8.310 nan 0.000 0.495 163 A N 1.748 124.534 122.820 -0.057 0.000 2.304 163 A HA 0.693 5.013 4.320 -0.000 0.000 0.301 163 A C 0.174 177.742 177.584 -0.027 0.000 1.132 163 A CA -0.586 51.421 52.037 -0.050 0.000 0.819 163 A CB 0.095 19.077 19.000 -0.030 0.000 1.094 163 A HN 0.358 nan 8.150 nan 0.000 0.492 164 M N 1.441 121.036 119.600 -0.009 0.000 2.250 164 M HA -0.010 4.470 4.480 -0.000 0.000 0.337 164 M C 0.374 176.696 176.300 0.036 0.000 1.161 164 M CA -0.066 55.258 55.300 0.041 0.000 1.088 164 M CB 0.155 32.808 32.600 0.088 0.000 1.639 164 M HN 0.718 nan 8.290 nan 0.000 0.447 165 D N 1.604 122.031 120.400 0.044 0.000 2.221 165 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 165 D C 1.714 178.040 176.300 0.044 0.000 0.982 165 D CA 1.418 55.437 54.000 0.031 0.000 0.857 165 D CB -0.340 40.475 40.800 0.026 0.000 0.934 165 D HN 0.852 nan 8.370 nan 0.000 0.475 166 C N -0.045 119.289 119.300 0.057 0.000 2.573 166 C HA 0.262 4.722 4.460 -0.000 0.000 0.273 166 C C 1.811 176.824 174.990 0.038 0.000 1.346 166 C CA -0.676 58.379 59.018 0.062 0.000 1.702 166 C CB -1.139 26.634 27.740 0.055 0.000 1.751 166 C HN 0.120 nan 8.230 nan 0.000 0.583 167 E N 1.769 121.986 120.200 0.028 0.000 2.385 167 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 167 E C 0.341 176.941 176.600 -0.001 0.000 1.013 167 E CA 0.697 57.102 56.400 0.008 0.000 0.866 167 E CB 0.215 29.917 29.700 0.003 0.000 0.832 167 E HN 0.904 nan 8.360 nan 0.000 0.500 168 D N -0.098 120.311 120.400 0.014 0.000 2.494 168 D HA 0.056 4.696 4.640 -0.000 0.000 0.259 168 D C -0.517 175.806 176.300 0.039 0.000 1.109 168 D CA -0.812 53.194 54.000 0.011 0.000 1.040 168 D CB 0.617 41.425 40.800 0.014 0.000 1.175 168 D HN -0.159 nan 8.370 nan 0.000 0.584 169 D N -1.845 118.572 120.400 0.029 0.000 3.123 169 D HA 0.307 4.946 4.640 -0.000 0.000 0.305 169 D C -0.692 175.759 176.300 0.251 0.000 1.373 169 D CA -0.575 53.453 54.000 0.046 0.000 0.889 169 D CB 0.061 40.765 40.800 -0.159 0.000 1.070 169 D HN 0.339 nan 8.370 nan 0.000 0.494 170 E N -0.065 120.322 120.200 0.313 0.000 2.343 170 E HA 0.271 4.620 4.350 -0.000 0.000 0.278 170 E C -1.109 175.388 176.600 -0.170 0.000 0.910 170 E CA -1.137 55.361 56.400 0.163 0.000 0.757 170 E CB 2.744 32.472 29.700 0.047 0.000 1.218 170 E HN -0.056 nan 8.360 nan 0.000 0.435 171 V N 4.347 123.952 119.914 -0.515 0.000 2.356 171 V HA 0.081 4.201 4.120 -0.000 0.000 0.258 171 V C 1.102 177.042 176.094 -0.257 0.000 1.065 171 V CA 0.199 62.179 62.300 -0.532 0.000 0.935 171 V CB 0.140 31.532 31.823 -0.718 0.000 1.061 171 V HN 0.725 nan 8.190 nan 0.000 0.484 172 L N 2.667 123.789 121.223 -0.168 0.000 2.307 172 L HA 0.188 4.528 4.340 -0.000 0.000 0.211 172 L C 0.228 177.042 176.870 -0.094 0.000 1.099 172 L CA 0.986 55.766 54.840 -0.101 0.000 0.816 172 L CB 0.215 42.236 42.059 -0.063 0.000 0.952 172 L HN 0.651 nan 8.230 nan 0.000 0.455 173 D N -2.479 117.856 120.400 -0.108 0.000 2.490 173 D HA 0.143 4.783 4.640 -0.000 0.000 0.232 173 D C 0.782 177.009 176.300 -0.122 0.000 1.053 173 D CA -0.086 53.859 54.000 -0.091 0.000 0.914 173 D CB 1.637 42.401 40.800 -0.060 0.000 1.431 173 D HN -0.191 nan 8.370 nan 0.000 0.483 174 S N 0.461 116.098 115.700 -0.104 0.000 2.402 174 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 174 S C 1.365 175.899 174.600 -0.109 0.000 1.021 174 S CA 0.935 59.062 58.200 -0.121 0.000 0.974 174 S CB -0.238 62.910 63.200 -0.087 0.000 0.800 174 S HN 0.409 nan 8.310 nan 0.000 0.484 175 E N 1.623 121.782 120.200 -0.069 0.000 2.153 175 E HA -0.073 4.276 4.350 -0.000 0.000 0.194 175 E C 1.641 178.217 176.600 -0.040 0.000 0.988 175 E CA 1.088 57.465 56.400 -0.040 0.000 0.811 175 E CB -0.451 29.240 29.700 -0.015 0.000 0.746 175 E HN 0.655 nan 8.360 nan 0.000 0.466 176 D N 0.208 120.568 120.400 -0.067 0.000 2.182 176 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 176 D C 1.502 177.756 176.300 -0.076 0.000 0.986 176 D CA 0.814 54.775 54.000 -0.065 0.000 0.847 176 D CB -0.022 40.715 40.800 -0.106 0.000 0.942 176 D HN 0.169 nan 8.370 nan 0.000 0.467 177 L N -0.149 120.983 121.223 -0.151 0.000 2.362 177 L HA -0.115 4.225 4.340 -0.000 0.000 0.219 177 L C 2.333 179.189 176.870 -0.023 0.000 1.134 177 L CA 0.686 55.406 54.840 -0.201 0.000 0.807 177 L CB -0.371 41.401 42.059 -0.477 0.000 0.927 177 L HN 0.141 nan 8.230 nan 0.000 0.447 178 Q N -0.269 119.544 119.800 0.022 0.000 2.224 178 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 178 Q C 1.294 177.421 176.000 0.211 0.000 0.970 178 Q CA 1.091 56.963 55.803 0.116 0.000 0.865 178 Q CB 0.039 28.827 28.738 0.084 0.000 0.922 178 Q HN 0.492 nan 8.270 nan 0.000 0.445 179 D N -0.215 120.280 120.400 0.158 0.000 2.317 179 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 179 D C 0.560 177.033 176.300 0.289 0.000 0.966 179 D CA 0.745 54.865 54.000 0.200 0.000 0.876 179 D CB 0.195 41.072 40.800 0.128 0.000 0.927 179 D HN 0.281 nan 8.370 nan 0.000 0.519 180 M N 0.182 119.917 119.600 0.225 0.000 2.359 180 M HA 0.205 4.685 4.480 -0.000 0.000 0.322 180 M C 0.295 176.636 176.300 0.068 0.000 1.166 180 M CA -0.238 55.180 55.300 0.196 0.000 1.067 180 M CB 1.659 34.394 32.600 0.225 0.000 1.523 180 M HN -0.357 nan 8.290 nan 0.000 0.467 181 S N 1.847 117.531 115.700 -0.027 0.000 2.508 181 S HA 0.473 4.942 4.470 -0.000 0.000 0.284 181 S C -0.547 173.965 174.600 -0.148 0.000 1.192 181 S CA -0.793 57.283 58.200 -0.207 0.000 1.070 181 S CB 0.870 64.010 63.200 -0.100 0.000 1.004 181 S HN 0.528 nan 8.310 nan 0.000 0.493 182 L N 4.214 125.316 121.223 -0.202 0.000 2.349 182 L HA 0.537 4.876 4.340 -0.000 0.000 0.275 182 L C -0.403 176.413 176.870 -0.090 0.000 1.115 182 L CA -0.111 54.557 54.840 -0.287 0.000 0.820 182 L CB 0.770 42.680 42.059 -0.248 0.000 1.135 182 L HN 0.655 nan 8.230 nan 0.000 0.445 183 M N 3.989 123.557 119.600 -0.054 0.000 2.326 183 M HA 0.399 4.879 4.480 -0.000 0.000 0.292 183 M C -1.455 174.940 176.300 0.159 0.000 1.081 183 M CA -0.282 55.083 55.300 0.108 0.000 0.919 183 M CB 2.146 34.873 32.600 0.212 0.000 1.634 183 M HN 0.477 nan 8.290 nan 0.000 0.451 184 T N 4.851 119.478 114.554 0.122 0.000 2.829 184 T HA 0.500 4.849 4.350 -0.000 0.000 0.280 184 T C -1.039 173.766 174.700 0.175 0.000 0.999 184 T CA -0.640 61.530 62.100 0.117 0.000 0.983 184 T CB 1.677 70.550 68.868 0.010 0.000 0.968 184 T HN 0.653 nan 8.240 nan 0.000 0.446 185 L N 2.718 124.084 121.223 0.238 0.000 2.265 185 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 185 L C -0.305 176.643 176.870 0.129 0.000 1.033 185 L CA -0.312 54.663 54.840 0.225 0.000 0.814 185 L CB 1.113 43.385 42.059 0.356 0.000 1.203 185 L HN 0.609 nan 8.230 nan 0.000 0.423 186 S N 2.217 117.977 115.700 0.099 0.000 2.451 186 S HA 0.639 5.109 4.470 -0.000 0.000 0.301 186 S C -0.217 174.441 174.600 0.097 0.000 1.116 186 S CA -0.516 57.725 58.200 0.069 0.000 1.093 186 S CB 1.616 64.835 63.200 0.032 0.000 1.017 186 S HN 0.719 nan 8.310 nan 0.000 0.482 187 T N 0.631 115.255 114.554 0.117 0.000 2.893 187 T HA 0.676 5.026 4.350 -0.000 0.000 0.293 187 T C -1.073 173.683 174.700 0.094 0.000 1.027 187 T CA -0.965 61.215 62.100 0.133 0.000 0.988 187 T CB 1.616 70.641 68.868 0.261 0.000 1.043 187 T HN 0.440 nan 8.240 nan 0.000 0.461 188 K N 1.967 122.378 120.400 0.018 0.000 2.578 188 K HA 0.611 4.931 4.320 -0.000 0.000 0.250 188 K C -0.942 175.587 176.600 -0.117 0.000 0.955 188 K CA -0.426 55.852 56.287 -0.016 0.000 0.825 188 K CB 1.494 33.974 32.500 -0.033 0.000 1.151 188 K HN 1.064 nan 8.250 nan 0.000 0.432 189 T N 0.572 115.066 114.554 -0.101 0.000 2.816 189 T HA 0.563 4.913 4.350 -0.000 0.000 0.299 189 T C -2.927 171.704 174.700 -0.115 0.000 1.230 189 T CA -2.149 59.784 62.100 -0.279 0.000 1.007 189 T CB 1.635 70.225 68.868 -0.462 0.000 1.289 189 T HN 0.182 nan 8.240 nan 0.000 0.508 190 P HA 0.244 nan 4.420 nan 0.000 0.268 190 P C 0.535 177.887 177.300 0.087 0.000 1.208 190 P CA -0.365 62.739 63.100 0.007 0.000 0.777 190 P CB 0.502 32.224 31.700 0.038 0.000 0.875 191 K N 1.338 121.788 120.400 0.084 0.000 2.152 191 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 191 K C 1.080 177.759 176.600 0.132 0.000 1.048 191 K CA 1.748 58.099 56.287 0.106 0.000 0.933 191 K CB -0.297 32.245 32.500 0.071 0.000 0.721 191 K HN 0.635 nan 8.250 nan 0.000 0.447 192 D N -0.187 120.283 120.400 0.116 0.000 2.340 192 D HA -0.076 4.564 4.640 -0.000 0.000 0.217 192 D C 1.337 177.703 176.300 0.110 0.000 1.081 192 D CA -0.227 53.834 54.000 0.101 0.000 0.842 192 D CB -0.320 40.516 40.800 0.060 0.000 0.934 192 D HN 0.147 nan 8.370 nan 0.000 0.511 193 F N 0.679 120.595 119.950 -0.057 0.000 2.161 193 F HA -0.058 4.469 4.527 -0.000 0.000 0.300 193 F C 1.097 176.766 175.800 -0.217 0.000 1.089 193 F CA 1.208 59.075 58.000 -0.222 0.000 1.282 193 F CB -0.074 38.622 39.000 -0.506 0.000 1.010 193 F HN -0.170 nan 8.300 nan 0.000 0.485 194 F N -0.479 119.493 119.950 0.036 0.000 2.731 194 F HA 0.060 4.586 4.527 -0.001 0.000 0.304 194 F C 2.014 177.763 175.800 -0.086 0.000 1.133 194 F CA 0.233 58.201 58.000 -0.053 0.000 1.380 194 F CB -0.768 38.263 39.000 0.051 0.000 1.079 194 F HN -0.194 nan 8.300 nan 0.000 0.550 195 T N -0.074 114.492 114.554 0.021 0.000 2.788 195 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 195 T C 1.587 176.213 174.700 -0.124 0.000 1.044 195 T CA 1.442 63.519 62.100 -0.038 0.000 1.139 195 T CB -0.106 68.743 68.868 -0.033 0.000 0.867 195 T HN 0.218 nan 8.240 nan 0.000 0.454 196 N N -0.062 118.500 118.700 -0.229 0.000 2.160 196 N HA 0.144 4.883 4.740 -0.000 0.000 0.226 196 N C -0.700 174.369 175.510 -0.734 0.000 1.256 196 N CA 0.048 52.862 53.050 -0.393 0.000 0.890 196 N CB 0.821 39.084 38.487 -0.373 0.000 1.116 196 N HN 0.445 nan 8.380 nan 0.000 0.517 197 H N -1.240 117.590 119.070 -0.400 0.000 2.895 197 H HA 0.507 5.062 4.556 -0.000 0.000 0.373 197 H C -0.615 174.719 175.328 0.010 0.000 1.174 197 H CA -0.489 55.364 56.048 -0.325 0.000 1.144 197 H CB 2.249 31.531 29.762 -0.799 0.000 1.793 197 H HN -0.224 nan 8.280 nan 0.000 0.551 198 T N 1.765 116.446 114.554 0.212 0.000 2.909 198 T HA 0.574 4.924 4.350 -0.000 0.000 0.299 198 T C -1.427 173.469 174.700 0.326 0.000 1.073 198 T CA -0.717 61.529 62.100 0.243 0.000 0.999 198 T CB 0.700 69.570 68.868 0.004 0.000 1.098 198 T HN 0.381 nan 8.240 nan 0.000 0.477 199 L N 3.853 125.273 121.223 0.328 0.000 2.317 199 L HA 0.813 5.153 4.340 -0.000 0.000 0.281 199 L C -0.344 176.712 176.870 0.310 0.000 1.024 199 L CA -1.038 53.999 54.840 0.329 0.000 0.810 199 L CB 1.896 44.143 42.059 0.312 0.000 1.240 199 L HN 0.466 nan 8.230 nan 0.000 0.427 200 V N 5.363 125.455 119.914 0.296 0.000 2.604 200 V HA 0.488 4.608 4.120 -0.000 0.000 0.305 200 V C -0.862 175.385 176.094 0.254 0.000 1.043 200 V CA -0.555 61.897 62.300 0.253 0.000 0.888 200 V CB 2.101 34.016 31.823 0.153 0.000 0.995 200 V HN 0.570 nan 8.190 nan 0.000 0.429 201 L N 7.113 128.448 121.223 0.186 0.000 2.289 201 L HA 0.745 5.085 4.340 -0.000 0.000 0.285 201 L C -0.569 176.392 176.870 0.150 0.000 1.049 201 L CA -0.231 54.655 54.840 0.077 0.000 0.804 201 L CB 1.287 43.314 42.059 -0.054 0.000 1.195 201 L HN 1.094 nan 8.230 nan 0.000 0.428 202 H N 1.744 120.796 119.070 -0.030 0.000 3.008 202 H HA 0.782 5.338 4.556 -0.000 0.000 0.354 202 H C -1.436 173.881 175.328 -0.018 0.000 1.252 202 H CA -1.052 54.983 56.048 -0.022 0.000 1.117 202 H CB 1.669 31.417 29.762 -0.023 0.000 1.857 202 H HN 0.204 nan 8.280 nan 0.000 0.547 203 V N -0.613 119.354 119.914 0.088 0.000 2.841 203 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 203 V C 0.621 176.764 176.094 0.082 0.000 1.090 203 V CA -0.827 61.497 62.300 0.041 0.000 0.930 203 V CB 1.297 33.128 31.823 0.014 0.000 1.014 203 V HN 1.240 nan 8.190 nan 0.000 0.425 204 A N 2.828 125.689 122.820 0.069 0.000 2.520 204 A HA 0.275 4.595 4.320 -0.000 0.000 0.235 204 A C 1.348 178.955 177.584 0.037 0.000 1.065 204 A CA 0.159 52.233 52.037 0.062 0.000 0.764 204 A CB -0.058 18.974 19.000 0.052 0.000 1.002 204 A HN 0.940 nan 8.150 nan 0.000 0.502 205 R N 1.117 121.635 120.500 0.030 0.000 2.105 205 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 205 R C 2.448 178.748 176.300 0.001 0.000 1.135 205 R CA 1.436 57.545 56.100 0.015 0.000 0.967 205 R CB -0.389 29.919 30.300 0.013 0.000 0.861 205 R HN 0.821 nan 8.270 nan 0.000 0.442 206 S N 0.677 116.381 115.700 0.008 0.000 2.400 206 S HA -0.216 4.254 4.470 -0.000 0.000 0.234 206 S C 1.428 176.011 174.600 -0.028 0.000 1.049 206 S CA 1.725 59.925 58.200 0.001 0.000 1.039 206 S CB 0.030 63.245 63.200 0.024 0.000 0.856 206 S HN 0.418 nan 8.310 nan 0.000 0.465 207 E N -0.300 119.884 120.200 -0.027 0.000 2.490 207 E HA 0.154 4.503 4.350 -0.000 0.000 0.209 207 E C 1.943 178.490 176.600 -0.088 0.000 0.971 207 E CA 0.275 56.637 56.400 -0.063 0.000 0.988 207 E CB 0.035 29.738 29.700 0.005 0.000 1.029 207 E HN 0.756 nan 8.360 nan 0.000 0.496 208 M N 1.306 120.873 119.600 -0.054 0.000 2.195 208 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 208 M C 1.264 177.509 176.300 -0.091 0.000 1.066 208 M CA 1.782 57.049 55.300 -0.056 0.000 1.089 208 M CB -0.580 32.009 32.600 -0.019 0.000 1.377 208 M HN -0.108 nan 8.290 nan 0.000 0.411 209 D N 0.750 121.085 120.400 -0.108 0.000 2.378 209 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 209 D C 0.911 177.114 176.300 -0.162 0.000 1.012 209 D CA 0.818 54.745 54.000 -0.122 0.000 0.905 209 D CB -0.265 40.471 40.800 -0.108 0.000 0.895 209 D HN 0.557 nan 8.370 nan 0.000 0.532 210 K N -0.390 119.887 120.400 -0.206 0.000 2.402 210 K HA 0.290 4.610 4.320 -0.000 0.000 0.204 210 K C -0.386 176.122 176.600 -0.153 0.000 1.056 210 K CA -0.193 55.940 56.287 -0.257 0.000 1.069 210 K CB 2.231 34.396 32.500 -0.559 0.000 0.888 210 K HN -0.040 nan 8.250 nan 0.000 0.546 211 V N 0.463 120.301 119.914 -0.127 0.000 3.087 211 V HA 0.510 4.630 4.120 -0.000 0.000 0.306 211 V C -1.861 174.153 176.094 -0.134 0.000 1.187 211 V CA -0.904 61.329 62.300 -0.111 0.000 0.999 211 V CB 2.312 34.077 31.823 -0.098 0.000 1.049 211 V HN 0.134 nan 8.190 nan 0.000 0.431 212 R N 2.992 123.404 120.500 -0.147 0.000 2.651 212 R HA 0.840 5.180 4.340 -0.000 0.000 0.278 212 R C -2.334 173.808 176.300 -0.262 0.000 1.010 212 R CA -0.434 55.516 56.100 -0.248 0.000 0.896 212 R CB 2.402 32.535 30.300 -0.279 0.000 1.211 212 R HN 0.560 nan 8.270 nan 0.000 0.456 213 V N 4.733 124.425 119.914 -0.371 0.000 2.577 213 V HA 0.530 4.650 4.120 -0.000 0.000 0.303 213 V C -1.039 174.890 176.094 -0.274 0.000 1.042 213 V CA -0.632 61.552 62.300 -0.194 0.000 0.872 213 V CB 1.569 33.321 31.823 -0.119 0.000 0.998 213 V HN 0.578 nan 8.190 nan 0.000 0.423 214 F N 2.157 122.195 119.950 0.147 0.000 2.492 214 F HA 0.575 5.102 4.527 -0.001 0.000 0.327 214 F C 0.361 176.318 175.800 0.260 0.000 1.079 214 F CA -0.494 57.602 58.000 0.160 0.000 0.967 214 F CB 1.700 40.772 39.000 0.121 0.000 1.169 214 F HN 0.388 nan 8.300 nan 0.000 0.472 215 Q N 1.761 121.773 119.800 0.353 0.000 2.241 215 Q HA 0.731 5.071 4.340 -0.000 0.000 0.254 215 Q C -1.015 175.048 176.000 0.105 0.000 0.917 215 Q CA -0.752 55.135 55.803 0.141 0.000 0.919 215 Q CB 1.652 30.454 28.738 0.107 0.000 1.237 215 Q HN 0.838 nan 8.270 nan 0.000 0.434 216 A N 2.848 125.673 122.820 0.009 0.000 2.311 216 A HA 0.849 5.168 4.320 -0.000 0.000 0.334 216 A C -0.594 176.985 177.584 -0.007 0.000 1.139 216 A CA -0.276 51.800 52.037 0.064 0.000 0.830 216 A CB 1.877 21.011 19.000 0.222 0.000 1.234 216 A HN 0.757 nan 8.150 nan 0.000 0.483 226 S N 2.420 118.260 115.700 0.233 0.000 2.618 226 S HA 0.834 5.304 4.470 -0.000 0.000 0.277 226 S C -0.444 174.312 174.600 0.260 0.000 1.138 226 S CA -0.528 57.849 58.200 0.295 0.000 0.844 226 S CB 1.174 64.479 63.200 0.174 0.000 1.127 226 S HN 1.764 nan 8.310 nan 0.000 0.474 227 V N 1.113 121.078 119.914 0.085 0.000 2.585 227 V HA 0.403 4.523 4.120 -0.000 0.000 0.296 227 V C 1.288 177.315 176.094 -0.111 0.000 1.035 227 V CA 0.130 62.264 62.300 -0.278 0.000 1.084 227 V CB 0.048 31.549 31.823 -0.537 0.000 0.953 227 V HN 1.216 nan 8.190 nan 0.000 0.483 228 V N 2.305 122.141 119.914 -0.131 0.000 3.048 228 V HA 0.451 4.571 4.120 -0.000 0.000 0.241 228 V C 0.583 176.739 176.094 0.103 0.000 1.129 228 V CA 0.227 62.443 62.300 -0.140 0.000 1.128 228 V CB -0.385 31.335 31.823 -0.173 0.000 0.849 228 V HN 0.671 nan 8.190 nan 0.000 0.475 229 L N 0.260 121.458 121.223 -0.041 0.000 2.371 229 L HA 0.945 5.284 4.340 -0.000 0.000 0.262 229 L C 0.020 176.793 176.870 -0.162 0.000 1.006 229 L CA 0.017 54.853 54.840 -0.007 0.000 0.818 229 L CB 1.992 44.036 42.059 -0.025 0.000 1.354 229 L HN 0.423 nan 8.230 nan 0.000 0.415 230 G N 0.579 109.310 108.800 -0.115 0.000 2.327 230 G HA2 0.189 4.148 3.960 -0.000 0.000 0.291 230 G HA3 0.189 4.148 3.960 -0.000 0.000 0.291 230 G C -2.915 171.905 174.900 -0.134 0.000 1.290 230 G CA -0.493 44.495 45.100 -0.186 0.000 0.857 230 G HN 0.306 nan 8.290 nan 0.000 0.520 231 P HA -0.131 nan 4.420 nan 0.000 0.218 231 P C 1.693 178.946 177.300 -0.078 0.000 1.154 231 P CA 1.773 64.809 63.100 -0.106 0.000 0.872 231 P CB 0.165 31.796 31.700 -0.115 0.000 0.790 232 K N -2.921 117.391 120.400 -0.146 0.000 2.167 232 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 232 K C 0.094 176.840 176.600 0.243 0.000 1.052 232 K CA 0.794 57.054 56.287 -0.045 0.000 0.956 232 K CB 0.046 32.432 32.500 -0.190 0.000 0.735 232 K HN 0.244 nan 8.250 nan 0.000 0.451 233 W N 1.842 123.119 121.300 -0.038 0.000 2.499 233 W HA 0.264 4.923 4.660 -0.001 0.000 0.320 233 W C -2.266 174.234 176.519 -0.032 0.000 1.010 233 W CA -2.814 54.516 57.345 -0.026 0.000 1.267 233 W CB 0.874 30.332 29.460 -0.004 0.000 1.316 233 W HN -0.125 nan 8.180 nan 0.000 0.431 234 P HA -0.004 nan 4.420 nan 0.000 0.251 234 P C 0.217 177.581 177.300 0.108 0.000 1.223 234 P CA 0.653 63.818 63.100 0.107 0.000 0.796 234 P CB 0.981 32.720 31.700 0.065 0.000 1.068 235 S N -1.224 114.527 115.700 0.085 0.000 2.607 235 S HA 0.634 5.104 4.470 -0.000 0.000 0.273 235 S C -1.500 173.106 174.600 0.010 0.000 1.148 235 S CA -0.661 57.564 58.200 0.042 0.000 0.833 235 S CB 2.077 65.225 63.200 -0.086 0.000 1.130 235 S HN 0.126 nan 8.310 nan 0.000 0.470 236 H N -0.722 118.274 119.070 -0.122 0.000 3.129 236 H HA 0.394 4.950 4.556 -0.000 0.000 0.342 236 H C -2.117 173.176 175.328 -0.057 0.000 1.092 236 H CA -0.358 55.615 56.048 -0.125 0.000 1.310 236 H CB 1.007 30.792 29.762 0.038 0.000 1.932 236 H HN 0.712 nan 8.280 nan 0.000 0.507 237 Y N 4.699 124.820 120.300 -0.298 0.000 2.359 237 Y HA 0.224 4.773 4.550 -0.000 0.000 0.334 237 Y C 0.191 176.096 175.900 0.008 0.000 1.058 237 Y CA -0.651 57.380 58.100 -0.116 0.000 1.244 237 Y CB 0.709 39.064 38.460 -0.175 0.000 1.187 237 Y HN 0.313 nan 8.280 nan 0.000 0.510 238 L N 4.852 126.246 121.223 0.285 0.000 2.375 238 L HA 0.322 4.661 4.340 -0.000 0.000 0.271 238 L C -0.199 176.725 176.870 0.090 0.000 1.107 238 L CA -0.636 54.351 54.840 0.244 0.000 0.806 238 L CB 0.571 42.780 42.059 0.249 0.000 1.146 238 L HN 0.512 nan 8.230 nan 0.000 0.447 239 M N 4.070 123.703 119.600 0.056 0.000 2.055 239 M HA 0.413 4.893 4.480 -0.000 0.000 0.347 239 M C -0.923 175.278 176.300 -0.165 0.000 1.123 239 M CA -0.356 54.912 55.300 -0.053 0.000 1.035 239 M CB 0.951 33.547 32.600 -0.007 0.000 1.484 239 M HN 0.213 nan 8.290 nan 0.000 0.428 240 V N 5.731 125.426 119.914 -0.365 0.000 2.638 240 V HA 0.581 4.701 4.120 -0.000 0.000 0.306 240 V C -2.162 173.578 176.094 -0.591 0.000 1.052 240 V CA -1.263 60.693 62.300 -0.574 0.000 0.885 240 V CB 2.348 33.734 31.823 -0.729 0.000 0.999 240 V HN 0.621 nan 8.190 nan 0.000 0.424 241 P HA 0.375 nan 4.420 nan 0.000 0.284 241 P C 0.213 177.589 177.300 0.127 0.000 1.258 241 P CA -0.051 62.970 63.100 -0.132 0.000 0.824 241 P CB 1.430 33.038 31.700 -0.154 0.000 1.038 242 G N 0.003 109.000 108.800 0.328 0.000 2.716 242 G HA2 0.418 4.378 3.960 -0.000 0.000 0.251 242 G HA3 0.418 4.378 3.960 -0.000 0.000 0.251 242 G C 0.437 175.465 174.900 0.215 0.000 1.224 242 G CA 0.360 45.690 45.100 0.384 0.000 0.891 242 G HN 0.884 nan 8.290 nan 0.000 0.561 243 G N -0.311 108.585 108.800 0.160 0.000 2.475 243 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.223 243 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.223 243 G C -0.116 174.849 174.900 0.109 0.000 1.201 243 G CA 0.198 45.359 45.100 0.102 0.000 0.962 243 G HN 1.248 nan 8.290 nan 0.000 0.586 244 K N 0.851 121.311 120.400 0.101 0.000 2.185 244 K HA 0.707 5.027 4.320 -0.000 0.000 0.269 244 K C -0.797 175.905 176.600 0.170 0.000 0.987 244 K CA -0.551 55.798 56.287 0.103 0.000 0.865 244 K CB 2.223 34.755 32.500 0.053 0.000 1.090 244 K HN 1.001 nan 8.250 nan 0.000 0.450 245 H N 0.948 120.047 119.070 0.049 0.000 3.012 245 H HA 0.431 4.987 4.556 -0.000 0.000 0.367 245 H C -1.553 173.792 175.328 0.027 0.000 1.211 245 H CA -0.607 55.461 56.048 0.034 0.000 1.139 245 H CB 1.853 31.636 29.762 0.035 0.000 1.838 245 H HN 0.729 nan 8.280 nan 0.000 0.550 246 N N 3.903 122.263 118.700 -0.567 0.000 2.430 246 N HA 0.267 5.007 4.740 -0.000 0.000 0.290 246 N C -1.531 173.677 175.510 -0.502 0.000 1.063 246 N CA -0.546 52.294 53.050 -0.350 0.000 0.883 246 N CB 2.216 40.582 38.487 -0.200 0.000 1.465 246 N HN 0.527 nan 8.380 nan 0.000 0.493 247 M N 2.372 121.813 119.600 -0.265 0.000 2.197 247 M HA 0.351 4.831 4.480 -0.000 0.000 0.301 247 M C -1.740 174.320 176.300 -0.400 0.000 0.987 247 M CA -0.554 54.573 55.300 -0.289 0.000 0.921 247 M CB 1.234 33.768 32.600 -0.109 0.000 1.569 247 M HN 0.248 nan 8.290 nan 0.000 0.431 248 D N 4.763 124.882 120.400 -0.469 0.000 2.177 248 D HA 0.492 5.132 4.640 -0.000 0.000 0.247 248 D C -1.367 174.539 176.300 -0.657 0.000 1.063 248 D CA 0.392 54.144 54.000 -0.413 0.000 0.867 248 D CB 1.117 41.784 40.800 -0.223 0.000 1.168 248 D HN 0.395 nan 8.370 nan 0.000 0.445 249 F N 1.086 120.936 119.950 -0.168 0.000 2.546 249 F HA 0.439 4.966 4.527 -0.000 0.000 0.320 249 F C -0.406 175.186 175.800 -0.347 0.000 1.076 249 F CA -0.984 56.957 58.000 -0.098 0.000 0.928 249 F CB 1.380 40.361 39.000 -0.032 0.000 1.189 249 F HN 0.157 nan 8.300 nan 0.000 0.465 250 Y N 1.047 121.507 120.300 0.267 0.000 2.376 250 Y HA 0.701 5.251 4.550 -0.000 0.000 0.340 250 Y C -0.633 175.384 175.900 0.194 0.000 0.965 250 Y CA -1.122 57.082 58.100 0.173 0.000 1.078 250 Y CB 2.049 40.584 38.460 0.125 0.000 1.193 250 Y HN 0.233 nan 8.280 nan 0.000 0.452 251 V N 3.063 123.074 119.914 0.161 0.000 2.656 251 V HA 0.528 4.648 4.120 -0.000 0.000 0.307 251 V C -0.854 175.245 176.094 0.008 0.000 1.051 251 V CA -1.094 61.201 62.300 -0.007 0.000 0.893 251 V CB 1.859 33.488 31.823 -0.324 0.000 0.999 251 V HN 0.803 nan 8.190 nan 0.000 0.426 252 E N 3.134 123.345 120.200 0.019 0.000 2.317 252 E HA 0.860 5.209 4.350 -0.000 0.000 0.270 252 E C -0.771 175.808 176.600 -0.034 0.000 0.885 252 E CA -0.966 55.454 56.400 0.032 0.000 0.760 252 E CB 2.472 32.245 29.700 0.122 0.000 1.227 252 E HN 0.756 nan 8.360 nan 0.000 0.434 253 A N 2.530 125.325 122.820 -0.042 0.000 2.293 253 A HA 0.477 4.797 4.320 -0.000 0.000 0.302 253 A C 0.406 177.955 177.584 -0.058 0.000 1.119 253 A CA -0.771 51.231 52.037 -0.057 0.000 0.823 253 A CB 0.308 19.276 19.000 -0.054 0.000 1.097 253 A HN 0.749 nan 8.150 nan 0.000 0.491 254 L N 0.243 121.428 121.223 -0.064 0.000 2.731 254 L HA 0.411 4.750 4.340 -0.000 0.000 0.240 254 L C 0.729 177.576 176.870 -0.040 0.000 1.120 254 L CA 0.536 55.346 54.840 -0.051 0.000 0.913 254 L CB 0.004 42.026 42.059 -0.062 0.000 1.213 254 L HN 0.735 nan 8.230 nan 0.000 0.515 255 A N -0.349 122.447 122.820 -0.039 0.000 2.486 255 A HA 0.669 4.989 4.320 -0.000 0.000 0.300 255 A C -1.173 176.498 177.584 0.145 0.000 1.048 255 A CA -0.412 51.661 52.037 0.060 0.000 0.696 255 A CB 1.037 20.015 19.000 -0.035 0.000 1.278 255 A HN -0.032 nan 8.150 nan 0.000 0.405 256 F N 1.694 121.783 119.950 0.230 0.000 2.406 256 F HA 0.420 4.946 4.527 -0.001 0.000 0.327 256 F C -1.690 174.277 175.800 0.277 0.000 1.153 256 F CA -1.306 56.831 58.000 0.227 0.000 1.218 256 F CB 0.658 39.825 39.000 0.279 0.000 1.215 256 F HN 0.307 nan 8.300 nan 0.000 0.570 257 P HA 0.054 nan 4.420 nan 0.000 0.266 257 P C -1.006 176.366 177.300 0.119 0.000 1.195 257 P CA 0.375 63.450 63.100 -0.042 0.000 0.768 257 P CB 0.607 32.180 31.700 -0.212 0.000 0.838 258 D N -0.166 120.324 120.400 0.150 0.000 2.768 258 D HA 0.131 4.771 4.640 -0.000 0.000 0.327 258 D C 0.948 177.325 176.300 0.128 0.000 1.302 258 D CA -0.329 53.774 54.000 0.171 0.000 0.897 258 D CB 0.821 41.779 40.800 0.263 0.000 1.420 258 D HN 0.098 nan 8.370 nan 0.000 0.494 259 T N -0.197 114.428 114.554 0.117 0.000 2.721 259 T HA -0.189 4.160 4.350 -0.000 0.000 0.268 259 T C 0.902 175.665 174.700 0.104 0.000 1.038 259 T CA 1.998 64.153 62.100 0.092 0.000 1.145 259 T CB -0.209 68.712 68.868 0.087 0.000 0.858 259 T HN 0.454 nan 8.240 nan 0.000 0.459 260 D N -0.845 119.638 120.400 0.139 0.000 2.395 260 D HA 0.095 4.735 4.640 -0.000 0.000 0.213 260 D C -0.200 176.240 176.300 0.234 0.000 1.110 260 D CA -0.418 53.668 54.000 0.143 0.000 0.835 260 D CB -0.114 40.752 40.800 0.109 0.000 0.965 260 D HN 0.350 nan 8.370 nan 0.000 0.505 261 F N 1.308 121.281 119.950 0.039 0.000 2.771 261 F HA 0.401 4.929 4.527 0.001 0.000 0.365 261 F C -2.383 173.431 175.800 0.024 0.000 1.169 261 F CA -2.918 55.100 58.000 0.031 0.000 1.093 261 F CB 2.119 41.141 39.000 0.036 0.000 1.363 261 F HN -0.335 nan 8.300 nan 0.000 0.496 262 P HA 0.127 nan 4.420 nan 0.000 0.222 262 P C 0.817 177.800 177.300 -0.528 0.000 1.147 262 P CA 2.156 65.121 63.100 -0.226 0.000 0.790 262 P CB 0.284 31.939 31.700 -0.076 0.000 0.780 263 G N -2.660 105.434 108.800 -1.176 0.000 2.148 263 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.157 263 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.157 263 G C -0.288 174.215 174.900 -0.661 0.000 1.012 263 G CA -0.612 43.738 45.100 -1.251 0.000 0.677 263 G HN 0.219 nan 8.290 nan 0.000 0.506 264 L N 0.524 121.520 121.223 -0.378 0.000 2.334 264 L HA 0.797 5.137 4.340 -0.000 0.000 0.276 264 L C 0.050 177.020 176.870 0.167 0.000 1.014 264 L CA -1.145 53.641 54.840 -0.090 0.000 0.815 264 L CB 1.901 43.921 42.059 -0.065 0.000 1.268 264 L HN 0.050 nan 8.230 nan 0.000 0.428 265 I N 1.507 122.186 120.570 0.183 0.000 2.478 265 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 265 I C -0.507 175.733 176.117 0.206 0.000 1.042 265 I CA -0.148 61.279 61.300 0.213 0.000 1.067 265 I CB 2.361 40.486 38.000 0.208 0.000 1.233 265 I HN 0.495 nan 8.210 nan 0.000 0.431 266 T N 7.126 121.759 114.554 0.131 0.000 2.771 266 T HA 0.650 5.000 4.350 -0.000 0.000 0.281 266 T C -0.319 174.411 174.700 0.051 0.000 0.982 266 T CA -0.448 61.701 62.100 0.082 0.000 0.978 266 T CB 0.863 69.753 68.868 0.036 0.000 0.930 266 T HN 0.247 nan 8.240 nan 0.000 0.447 267 L N 2.940 124.189 121.223 0.044 0.000 2.346 267 L HA 0.652 4.992 4.340 -0.000 0.000 0.276 267 L C 0.113 176.894 176.870 -0.148 0.000 1.006 267 L CA -0.791 54.022 54.840 -0.046 0.000 0.817 267 L CB 2.009 44.081 42.059 0.022 0.000 1.272 267 L HN 0.569 nan 8.230 nan 0.000 0.421 268 T N 2.819 117.177 114.554 -0.327 0.000 2.876 268 T HA 0.561 4.910 4.350 -0.000 0.000 0.289 268 T C -0.925 173.516 174.700 -0.433 0.000 1.014 268 T CA -0.403 61.450 62.100 -0.413 0.000 0.986 268 T CB 2.443 70.966 68.868 -0.574 0.000 1.021 268 T HN 0.266 nan 8.240 nan 0.000 0.458 269 I N 2.345 122.806 120.570 -0.181 0.000 2.404 269 I HA 0.582 4.752 4.170 -0.000 0.000 0.293 269 I C -0.583 175.596 176.117 0.104 0.000 0.992 269 I CA -0.078 61.225 61.300 0.006 0.000 1.149 269 I CB 1.323 39.374 38.000 0.086 0.000 1.315 269 I HN 0.554 nan 8.210 nan 0.000 0.446 270 S N 7.390 123.236 115.700 0.244 0.000 2.500 270 S HA 0.624 5.094 4.470 -0.000 0.000 0.301 270 S C -0.983 173.793 174.600 0.294 0.000 1.092 270 S CA -0.540 57.816 58.200 0.259 0.000 1.030 270 S CB 1.598 64.960 63.200 0.271 0.000 1.031 270 S HN 0.586 nan 8.310 nan 0.000 0.483 271 L N 4.278 125.700 121.223 0.332 0.000 2.272 271 L HA 0.602 4.942 4.340 -0.000 0.000 0.289 271 L C -1.439 175.609 176.870 0.298 0.000 1.032 271 L CA -0.236 54.823 54.840 0.365 0.000 0.810 271 L CB 0.267 42.578 42.059 0.420 0.000 1.205 271 L HN 0.594 nan 8.230 nan 0.000 0.422 272 L N 3.873 125.258 121.223 0.269 0.000 2.334 272 L HA 0.499 4.839 4.340 -0.000 0.000 0.276 272 L C -0.616 176.337 176.870 0.139 0.000 1.014 272 L CA -0.811 54.139 54.840 0.183 0.000 0.815 272 L CB 1.662 43.806 42.059 0.142 0.000 1.268 272 L HN 0.509 nan 8.230 nan 0.000 0.428 273 D N 1.145 121.576 120.400 0.051 0.000 2.317 273 D HA 0.208 4.847 4.640 -0.000 0.000 0.234 273 D C 0.278 176.467 176.300 -0.185 0.000 1.112 273 D CA -0.218 53.681 54.000 -0.169 0.000 0.840 273 D CB 1.308 42.064 40.800 -0.074 0.000 1.078 273 D HN 0.600 nan 8.370 nan 0.000 0.486 274 T N -0.049 114.331 114.554 -0.291 0.000 3.355 274 T HA 0.184 4.533 4.350 -0.000 0.000 0.276 274 T C 1.219 175.783 174.700 -0.226 0.000 1.003 274 T CA -0.498 61.480 62.100 -0.204 0.000 0.943 274 T CB 0.076 68.837 68.868 -0.178 0.000 1.158 274 T HN 0.082 nan 8.240 nan 0.000 0.513 275 S N 2.240 117.786 115.700 -0.256 0.000 2.428 275 S HA 0.075 4.544 4.470 -0.000 0.000 0.230 275 S C 0.783 175.297 174.600 -0.144 0.000 1.014 275 S CA 0.345 58.415 58.200 -0.217 0.000 0.957 275 S CB -0.121 62.950 63.200 -0.215 0.000 0.784 275 S HN 0.619 nan 8.310 nan 0.000 0.499 276 N N 1.391 120.021 118.700 -0.117 0.000 2.424 276 N HA 0.301 5.041 4.740 -0.000 0.000 0.271 276 N C 0.252 175.715 175.510 -0.078 0.000 0.985 276 N CA -0.162 52.836 53.050 -0.086 0.000 0.921 276 N CB 1.661 40.106 38.487 -0.069 0.000 1.149 276 N HN 0.131 nan 8.380 nan 0.000 0.492 277 L N 1.376 122.557 121.223 -0.070 0.000 2.240 277 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 277 L C 1.541 178.380 176.870 -0.052 0.000 1.106 277 L CA 1.071 55.872 54.840 -0.065 0.000 0.793 277 L CB 0.096 42.119 42.059 -0.060 0.000 0.927 277 L HN 0.455 nan 8.230 nan 0.000 0.446 278 E N 0.602 120.774 120.200 -0.046 0.000 2.021 278 E HA -0.018 4.332 4.350 -0.000 0.000 0.189 278 E C 0.854 177.433 176.600 -0.035 0.000 0.980 278 E CA 0.478 56.856 56.400 -0.037 0.000 0.803 278 E CB -0.635 29.046 29.700 -0.032 0.000 0.766 278 E HN 0.236 nan 8.360 nan 0.000 0.449 279 L N 2.338 123.539 121.223 -0.037 0.000 2.452 279 L HA 0.255 4.595 4.340 -0.000 0.000 0.267 279 L C -1.888 174.963 176.870 -0.032 0.000 1.188 279 L CA -2.066 52.755 54.840 -0.032 0.000 0.821 279 L CB -0.381 41.659 42.059 -0.032 0.000 1.102 279 L HN -0.007 nan 8.230 nan 0.000 0.470 280 P HA 0.053 nan 4.420 nan 0.000 0.269 280 P C -0.617 176.672 177.300 -0.019 0.000 1.215 280 P CA -0.370 62.719 63.100 -0.018 0.000 0.780 280 P CB 0.349 32.043 31.700 -0.010 0.000 0.898 281 E N 0.235 120.427 120.200 -0.013 0.000 2.565 281 E HA 0.188 4.538 4.350 -0.000 0.000 0.268 281 E C -0.267 176.338 176.600 0.009 0.000 1.000 281 E CA 0.495 56.893 56.400 -0.003 0.000 0.964 281 E CB 0.148 29.865 29.700 0.029 0.000 0.955 281 E HN 0.447 nan 8.360 nan 0.000 0.459 282 A N 2.863 125.694 122.820 0.017 0.000 2.353 282 A HA 0.375 4.694 4.320 -0.000 0.000 0.299 282 A C -0.663 176.962 177.584 0.068 0.000 1.089 282 A CA -0.743 51.314 52.037 0.034 0.000 0.736 282 A CB 1.096 20.110 19.000 0.024 0.000 1.195 282 A HN 0.335 nan 8.150 nan 0.000 0.447 283 V N 3.347 123.304 119.914 0.072 0.000 2.572 283 V HA 0.120 4.240 4.120 -0.000 0.000 0.291 283 V C 1.049 177.219 176.094 0.126 0.000 1.039 283 V CA 0.296 62.658 62.300 0.103 0.000 1.055 283 V CB 1.165 33.035 31.823 0.077 0.000 0.969 283 V HN 0.732 nan 8.190 nan 0.000 0.482 284 V N 4.331 124.356 119.914 0.185 0.000 3.307 284 V HA 0.357 4.477 4.120 -0.000 0.000 0.244 284 V C 0.064 176.331 176.094 0.288 0.000 1.196 284 V CA 0.402 62.830 62.300 0.214 0.000 1.132 284 V CB 0.202 32.177 31.823 0.253 0.000 0.875 284 V HN 0.710 nan 8.190 nan 0.000 0.468 285 F N 0.286 120.296 119.950 0.101 0.000 2.654 285 F HA 0.597 5.124 4.527 -0.001 0.000 0.314 285 F C -1.346 174.513 175.800 0.100 0.000 1.116 285 F CA -0.430 57.622 58.000 0.086 0.000 1.017 285 F CB 1.493 40.542 39.000 0.081 0.000 1.285 285 F HN -0.119 nan 8.300 nan 0.000 0.448 286 Q N 3.968 123.387 119.800 -0.635 0.000 2.356 286 Q HA 0.429 4.769 4.340 -0.000 0.000 0.270 286 Q C -2.008 173.469 176.000 -0.871 0.000 1.058 286 Q CA -1.004 54.484 55.803 -0.525 0.000 0.802 286 Q CB 2.650 31.268 28.738 -0.200 0.000 1.303 286 Q HN 0.642 nan 8.270 nan 0.000 0.444 287 D N -0.149 119.930 120.400 -0.535 0.000 2.661 287 D HA 0.602 5.242 4.640 -0.000 0.000 0.228 287 D C -1.446 174.754 176.300 -0.166 0.000 1.183 287 D CA -0.228 53.576 54.000 -0.327 0.000 0.844 287 D CB 2.325 43.037 40.800 -0.147 0.000 1.555 287 D HN 0.387 nan 8.370 nan 0.000 0.453 288 S N -0.165 115.460 115.700 -0.125 0.000 2.595 288 S HA 0.707 5.177 4.470 -0.000 0.000 0.281 288 S C -1.045 173.494 174.600 -0.103 0.000 1.117 288 S CA -0.761 57.371 58.200 -0.113 0.000 0.873 288 S CB 1.767 64.904 63.200 -0.105 0.000 1.108 288 S HN 0.483 nan 8.310 nan 0.000 0.477 289 V N -0.293 119.551 119.914 -0.117 0.000 2.680 289 V HA 0.912 5.032 4.120 -0.000 0.000 0.309 289 V C -1.164 174.803 176.094 -0.212 0.000 1.052 289 V CA -0.588 61.587 62.300 -0.207 0.000 0.908 289 V CB 1.639 33.274 31.823 -0.313 0.000 1.001 289 V HN 0.589 nan 8.190 nan 0.000 0.431 290 V N 5.588 125.360 119.914 -0.236 0.000 2.384 290 V HA 0.548 4.668 4.120 -0.000 0.000 0.287 290 V C -0.500 175.514 176.094 -0.132 0.000 1.020 290 V CA -0.192 62.059 62.300 -0.081 0.000 0.850 290 V CB 1.111 32.958 31.823 0.040 0.000 0.987 290 V HN 0.812 nan 8.190 nan 0.000 0.436 291 F N 3.588 123.587 119.950 0.081 0.000 2.425 291 F HA 0.644 5.171 4.527 0.001 0.000 0.331 291 F C 0.525 176.268 175.800 -0.095 0.000 1.085 291 F CA -0.519 57.523 58.000 0.069 0.000 1.028 291 F CB 1.444 40.468 39.000 0.041 0.000 1.177 291 F HN 0.312 nan 8.300 nan 0.000 0.487 292 R N 1.893 122.365 120.500 -0.047 0.000 2.387 292 R HA 0.596 4.935 4.340 -0.000 0.000 0.314 292 R C -1.580 174.666 176.300 -0.090 0.000 0.958 292 R CA -0.652 55.198 56.100 -0.417 0.000 0.846 292 R CB 1.382 30.870 30.300 -1.352 0.000 1.147 292 R HN 0.546 nan 8.270 nan 0.000 0.447 293 V N 4.198 124.030 119.914 -0.138 0.000 2.521 293 V HA 0.118 4.238 4.120 -0.000 0.000 0.286 293 V C 0.680 176.686 176.094 -0.148 0.000 1.034 293 V CA -0.172 62.076 62.300 -0.086 0.000 1.045 293 V CB 0.864 32.641 31.823 -0.076 0.000 0.974 293 V HN 0.955 nan 8.190 nan 0.000 0.480 294 A N 9.397 132.186 122.820 -0.052 0.000 2.566 294 A HA 0.317 4.636 4.320 -0.000 0.000 0.245 294 A C -1.685 175.710 177.584 -0.314 0.000 1.056 294 A CA -0.549 51.353 52.037 -0.225 0.000 0.757 294 A CB -0.410 18.629 19.000 0.066 0.000 0.979 294 A HN 0.699 nan 8.150 nan 0.000 0.508 295 P HA 0.121 nan 4.420 nan 0.000 0.276 295 P C -0.648 176.579 177.300 -0.121 0.000 1.244 295 P CA -0.446 62.477 63.100 -0.296 0.000 0.801 295 P CB 0.566 31.978 31.700 -0.480 0.000 1.006 296 W N 3.690 124.870 121.300 -0.200 0.000 2.266 296 W HA 0.440 5.100 4.660 -0.000 0.000 0.317 296 W C -0.960 175.326 176.519 -0.388 0.000 1.310 296 W CA 0.131 57.301 57.345 -0.292 0.000 1.207 296 W CB 0.068 29.238 29.460 -0.483 0.000 1.199 296 W HN 0.181 nan 8.180 nan 0.000 0.544 297 I N 7.932 127.796 120.570 -1.177 0.000 2.545 297 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 297 I C 0.204 175.598 176.117 -1.204 0.000 1.040 297 I CA -1.070 59.582 61.300 -1.081 0.000 1.068 297 I CB 1.714 39.083 38.000 -1.051 0.000 1.251 297 I HN 0.305 nan 8.210 nan 0.000 0.424 298 M N 3.596 122.737 119.600 -0.764 0.000 2.368 298 M HA 0.424 4.904 4.480 -0.000 0.000 0.311 298 M C -0.145 176.110 176.300 -0.074 0.000 1.168 298 M CA -0.465 54.552 55.300 -0.471 0.000 1.044 298 M CB 1.791 34.224 32.600 -0.278 0.000 1.506 298 M HN 0.598 nan 8.290 nan 0.000 0.475 299 T N -0.350 114.184 114.554 -0.034 0.000 2.809 299 T HA 0.599 4.949 4.350 -0.000 0.000 0.284 299 T C -2.668 171.998 174.700 -0.056 0.000 0.992 299 T CA -1.796 60.263 62.100 -0.068 0.000 0.957 299 T CB 1.024 69.819 68.868 -0.123 0.000 0.942 299 T HN 0.339 nan 8.240 nan 0.000 0.439 300 P HA 0.254 nan 4.420 nan 0.000 0.273 300 P C 0.377 177.651 177.300 -0.044 0.000 1.250 300 P CA -0.483 62.579 63.100 -0.063 0.000 0.793 300 P CB 0.743 32.369 31.700 -0.124 0.000 1.011 301 N N -0.431 118.280 118.700 0.017 0.000 2.519 301 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 301 N C 1.385 176.919 175.510 0.039 0.000 1.062 301 N CA 1.358 54.450 53.050 0.068 0.000 0.910 301 N CB -0.806 37.767 38.487 0.143 0.000 0.958 301 N HN 0.563 nan 8.380 nan 0.000 0.445 302 T N -2.803 111.750 114.554 -0.003 0.000 3.129 302 T HA 0.114 4.463 4.350 -0.000 0.000 0.251 302 T C 0.692 175.367 174.700 -0.041 0.000 1.117 302 T CA -0.023 62.083 62.100 0.009 0.000 1.034 302 T CB 0.257 69.139 68.868 0.025 0.000 0.968 302 T HN -0.107 nan 8.240 nan 0.000 0.526 303 Q N 2.540 122.271 119.800 -0.115 0.000 2.288 303 Q HA 0.339 4.678 4.340 -0.000 0.000 0.254 303 Q C -2.660 173.281 176.000 -0.098 0.000 0.932 303 Q CA -2.627 53.067 55.803 -0.181 0.000 0.902 303 Q CB 1.039 29.562 28.738 -0.359 0.000 1.203 303 Q HN 0.214 nan 8.270 nan 0.000 0.415 304 P HA 0.030 nan 4.420 nan 0.000 0.264 304 P C -2.347 174.931 177.300 -0.036 0.000 1.193 304 P CA -0.680 62.394 63.100 -0.043 0.000 0.763 304 P CB -0.054 31.620 31.700 -0.043 0.000 0.810 305 P HA 0.155 nan 4.420 nan 0.000 0.277 305 P C -0.171 177.132 177.300 0.005 0.000 1.240 305 P CA 0.062 63.169 63.100 0.012 0.000 0.798 305 P CB 1.333 33.053 31.700 0.032 0.000 0.979 306 Q N -0.076 119.731 119.800 0.012 0.000 2.342 306 Q HA 0.176 4.516 4.340 -0.000 0.000 0.261 306 Q C 0.156 176.156 176.000 -0.001 0.000 0.841 306 Q CA 0.207 56.013 55.803 0.006 0.000 0.969 306 Q CB 1.189 29.931 28.738 0.006 0.000 1.136 306 Q HN 0.569 nan 8.270 nan 0.000 0.528 307 E N 0.316 120.515 120.200 -0.002 0.000 2.347 307 E HA 0.356 4.706 4.350 -0.000 0.000 0.285 307 E C -1.712 174.783 176.600 -0.175 0.000 0.925 307 E CA -0.416 55.924 56.400 -0.101 0.000 0.779 307 E CB 2.069 31.710 29.700 -0.097 0.000 1.233 307 E HN -0.121 nan 8.360 nan 0.000 0.414 308 V N 3.952 123.719 119.914 -0.244 0.000 2.581 308 V HA 0.518 4.638 4.120 -0.000 0.000 0.303 308 V C -1.104 174.813 176.094 -0.294 0.000 1.041 308 V CA -0.553 61.654 62.300 -0.155 0.000 0.907 308 V CB 1.213 33.008 31.823 -0.047 0.000 0.994 308 V HN 0.555 nan 8.190 nan 0.000 0.442 309 Y N 1.797 122.155 120.300 0.096 0.000 2.462 309 Y HA 0.871 5.421 4.550 -0.001 0.000 0.346 309 Y C 0.296 176.227 175.900 0.051 0.000 0.976 309 Y CA -0.427 57.729 58.100 0.094 0.000 1.044 309 Y CB 2.194 40.741 38.460 0.144 0.000 1.230 309 Y HN 0.869 nan 8.280 nan 0.000 0.455 310 A N 0.332 123.252 122.820 0.165 0.000 2.524 310 A HA 0.840 5.160 4.320 -0.000 0.000 0.303 310 A C -1.765 175.821 177.584 0.003 0.000 1.195 310 A CA -0.756 51.348 52.037 0.112 0.000 0.651 310 A CB 0.639 19.766 19.000 0.213 0.000 1.323 310 A HN 0.732 nan 8.150 nan 0.000 0.479 311 C N 0.952 120.249 119.300 -0.005 0.000 2.456 311 C HA 0.842 5.302 4.460 -0.000 0.000 0.325 311 C C 0.914 175.884 174.990 -0.032 0.000 1.217 311 C CA -0.109 58.859 59.018 -0.082 0.000 1.687 311 C CB 1.131 28.773 27.740 -0.164 0.000 2.270 311 C HN 1.022 nan 8.230 nan 0.000 0.499 316 N N 0.586 119.307 118.700 0.035 0.000 2.497 316 N HA 0.100 4.840 4.740 -0.000 0.000 0.284 316 N C -0.003 175.636 175.510 0.215 0.000 1.459 316 N CA -0.340 52.790 53.050 0.134 0.000 0.899 316 N CB 0.311 38.840 38.487 0.071 0.000 1.316 316 N HN 0.559 nan 8.380 nan 0.000 0.500 317 E N 0.613 120.898 120.200 0.142 0.000 2.085 317 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 317 E C 0.203 176.888 176.600 0.143 0.000 0.994 317 E CA 1.359 57.832 56.400 0.122 0.000 0.801 317 E CB 0.130 29.877 29.700 0.078 0.000 0.743 317 E HN 0.436 nan 8.360 nan 0.000 0.453 318 D N 0.049 120.547 120.400 0.164 0.000 2.213 318 D HA -0.084 4.555 4.640 -0.000 0.000 0.205 318 D C 1.695 178.102 176.300 0.179 0.000 0.961 318 D CA 0.324 54.412 54.000 0.147 0.000 0.853 318 D CB -0.337 40.550 40.800 0.144 0.000 0.967 318 D HN 0.106 nan 8.370 nan 0.000 0.496 319 F N 1.909 121.927 119.950 0.113 0.000 2.069 319 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 319 F C 2.112 177.946 175.800 0.056 0.000 1.113 319 F CA 1.312 59.374 58.000 0.104 0.000 1.214 319 F CB -0.200 38.913 39.000 0.188 0.000 0.978 319 F HN -0.160 nan 8.300 nan 0.000 0.474 320 L N 0.142 121.559 121.223 0.323 0.000 2.083 320 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 320 L C 2.475 179.358 176.870 0.021 0.000 1.083 320 L CA 1.466 56.404 54.840 0.163 0.000 0.752 320 L CB -0.756 41.413 42.059 0.183 0.000 0.899 320 L HN 0.181 nan 8.230 nan 0.000 0.433 321 K N -0.197 120.221 120.400 0.030 0.000 2.009 321 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 321 K C 2.297 178.864 176.600 -0.055 0.000 1.049 321 K CA 1.916 58.202 56.287 -0.003 0.000 0.929 321 K CB -0.152 32.359 32.500 0.018 0.000 0.714 321 K HN 0.179 nan 8.250 nan 0.000 0.440 322 S N 0.759 116.403 115.700 -0.093 0.000 2.356 322 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 322 S C 2.149 176.636 174.600 -0.189 0.000 1.032 322 S CA 1.557 59.672 58.200 -0.140 0.000 1.005 322 S CB -0.440 62.660 63.200 -0.166 0.000 0.867 322 S HN 0.373 nan 8.310 nan 0.000 0.449 323 V N 1.236 120.985 119.914 -0.276 0.000 2.515 323 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 323 V C 1.918 177.935 176.094 -0.128 0.000 1.058 323 V CA 2.270 64.433 62.300 -0.227 0.000 1.064 323 V CB -1.586 30.080 31.823 -0.262 0.000 0.675 323 V HN 0.432 nan 8.190 nan 0.000 0.461 324 T N 1.546 116.043 114.554 -0.096 0.000 2.746 324 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 324 T C 1.907 176.563 174.700 -0.073 0.000 1.039 324 T CA 2.469 64.532 62.100 -0.062 0.000 1.142 324 T CB -0.703 68.145 68.868 -0.034 0.000 0.866 324 T HN 0.803 nan 8.240 nan 0.000 0.444 325 T N 1.712 116.216 114.554 -0.083 0.000 2.857 325 T HA 0.065 4.415 4.350 -0.000 0.000 0.266 325 T C 1.913 176.534 174.700 -0.132 0.000 1.048 325 T CA 0.431 62.475 62.100 -0.093 0.000 1.139 325 T CB -0.487 68.334 68.868 -0.079 0.000 0.874 325 T HN 0.070 nan 8.240 nan 0.000 0.455 326 L N 1.542 122.683 121.223 -0.138 0.000 2.017 326 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 326 L C 2.854 179.638 176.870 -0.143 0.000 1.073 326 L CA 1.723 56.468 54.840 -0.159 0.000 0.745 326 L CB -0.994 40.989 42.059 -0.127 0.000 0.894 326 L HN 0.299 nan 8.230 nan 0.000 0.432 327 A N -0.748 122.012 122.820 -0.101 0.000 1.883 327 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 327 A C 2.376 179.912 177.584 -0.081 0.000 1.186 327 A CA 2.273 54.266 52.037 -0.074 0.000 0.624 327 A CB -0.777 18.185 19.000 -0.063 0.000 0.822 327 A HN 0.574 nan 8.150 nan 0.000 0.444 328 M N -0.261 119.284 119.600 -0.090 0.000 2.065 328 M HA -0.226 4.254 4.480 -0.000 0.000 0.259 328 M C 1.919 178.150 176.300 -0.114 0.000 1.069 328 M CA 2.407 57.657 55.300 -0.084 0.000 1.110 328 M CB -0.512 32.042 32.600 -0.076 0.000 1.328 328 M HN 0.392 nan 8.290 nan 0.000 0.405 329 K N 0.095 120.372 120.400 -0.204 0.000 2.152 329 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 329 K C 1.660 178.121 176.600 -0.232 0.000 1.048 329 K CA 1.493 57.576 56.287 -0.341 0.000 0.933 329 K CB -0.242 31.810 32.500 -0.746 0.000 0.721 329 K HN 0.534 nan 8.250 nan 0.000 0.447 330 A N 0.775 123.519 122.820 -0.127 0.000 2.307 330 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 330 A C -0.149 177.450 177.584 0.025 0.000 1.228 330 A CA -0.004 52.067 52.037 0.057 0.000 0.857 330 A CB -0.086 18.970 19.000 0.093 0.000 0.897 330 A HN 0.255 nan 8.150 nan 0.000 0.495 331 K N -1.500 118.895 120.400 -0.009 0.000 3.117 331 K HA -0.166 4.154 4.320 -0.000 0.000 0.269 331 K C -0.632 175.961 176.600 -0.010 0.000 1.098 331 K CA 0.651 56.934 56.287 -0.007 0.000 0.785 331 K CB -2.929 29.575 32.500 0.007 0.000 1.242 331 K HN 0.512 nan 8.250 nan 0.000 0.491 332 C N 1.110 120.397 119.300 -0.021 0.000 2.358 332 C HA 0.349 4.809 4.460 -0.000 0.000 0.342 332 C C 0.937 175.904 174.990 -0.037 0.000 1.234 332 C CA -0.927 58.076 59.018 -0.025 0.000 1.969 332 C CB 1.299 29.022 27.740 -0.028 0.000 2.346 332 C HN 0.309 nan 8.230 nan 0.000 0.525 333 K N 2.174 122.552 120.400 -0.038 0.000 2.440 333 K HA 0.300 4.620 4.320 -0.000 0.000 0.270 333 K C -0.665 175.882 176.600 -0.089 0.000 0.980 333 K CA 0.229 56.487 56.287 -0.048 0.000 0.953 333 K CB 0.215 32.694 32.500 -0.034 0.000 0.925 333 K HN 0.579 nan 8.250 nan 0.000 0.497 334 L N 3.894 125.070 121.223 -0.078 0.000 2.381 334 L HA 0.474 4.814 4.340 -0.000 0.000 0.274 334 L C -1.167 175.660 176.870 -0.072 0.000 0.988 334 L CA -0.166 54.618 54.840 -0.092 0.000 0.824 334 L CB 1.342 43.371 42.059 -0.051 0.000 1.263 334 L HN 0.929 nan 8.230 nan 0.000 0.410 335 T N 4.584 119.074 114.554 -0.107 0.000 2.841 335 T HA 0.749 5.099 4.350 -0.000 0.000 0.283 335 T C -0.590 174.177 174.700 0.113 0.000 1.000 335 T CA -0.466 61.654 62.100 0.032 0.000 0.977 335 T CB 1.450 70.387 68.868 0.114 0.000 0.979 335 T HN 0.477 nan 8.240 nan 0.000 0.446 336 I N 2.700 123.343 120.570 0.122 0.000 2.545 336 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 336 I C -0.296 175.855 176.117 0.056 0.000 1.040 336 I CA -0.989 60.355 61.300 0.073 0.000 1.068 336 I CB 2.082 40.113 38.000 0.052 0.000 1.251 336 I HN 0.791 nan 8.210 nan 0.000 0.424 337 C N 8.785 128.041 119.300 -0.074 0.000 2.273 337 C HA 0.611 5.071 4.460 -0.000 0.000 0.328 337 C C -2.251 172.696 174.990 -0.071 0.000 1.275 337 C CA -1.816 57.127 59.018 -0.124 0.000 1.704 337 C CB 0.549 28.000 27.740 -0.481 0.000 2.326 337 C HN 0.455 nan 8.230 nan 0.000 0.517 338 P HA 0.190 nan 4.420 nan 0.000 0.278 338 P C 0.631 177.909 177.300 -0.036 0.000 1.258 338 P CA 0.055 63.143 63.100 -0.019 0.000 0.811 338 P CB 0.590 32.294 31.700 0.007 0.000 1.063 339 E N 1.402 121.577 120.200 -0.041 0.000 2.136 339 E HA -0.302 4.048 4.350 -0.000 0.000 0.202 339 E C 0.908 177.485 176.600 -0.038 0.000 1.019 339 E CA 1.864 58.233 56.400 -0.051 0.000 0.819 339 E CB -0.707 28.965 29.700 -0.046 0.000 0.739 339 E HN 0.397 nan 8.360 nan 0.000 0.458 340 E N 1.253 121.440 120.200 -0.021 0.000 2.058 340 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 340 E C 2.136 178.731 176.600 -0.008 0.000 0.997 340 E CA 1.989 58.381 56.400 -0.013 0.000 0.801 340 E CB -0.140 29.559 29.700 -0.002 0.000 0.746 340 E HN 0.516 nan 8.360 nan 0.000 0.450 341 E N 0.286 120.487 120.200 0.001 0.000 2.076 341 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 341 E C 1.893 178.489 176.600 -0.006 0.000 0.979 341 E CA 0.615 57.026 56.400 0.018 0.000 0.807 341 E CB -0.216 29.523 29.700 0.064 0.000 0.761 341 E HN 0.308 nan 8.360 nan 0.000 0.454 342 N N 0.945 119.619 118.700 -0.044 0.000 2.094 342 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 342 N C 0.666 176.138 175.510 -0.063 0.000 1.023 342 N CA 0.618 53.620 53.050 -0.080 0.000 0.857 342 N CB -0.046 38.373 38.487 -0.113 0.000 1.013 342 N HN 0.036 nan 8.380 nan 0.000 0.426 343 M N 0.428 119.997 119.600 -0.051 0.000 2.576 343 M HA -0.261 4.219 4.480 -0.000 0.000 0.200 343 M C -0.484 175.781 176.300 -0.059 0.000 0.487 343 M CA 0.849 56.121 55.300 -0.045 0.000 0.553 343 M CB -1.396 31.185 32.600 -0.033 0.000 2.042 343 M HN 0.460 nan 8.290 nan 0.000 0.758 344 D N -0.862 119.488 120.400 -0.083 0.000 2.839 344 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 344 D C -0.011 176.200 176.300 -0.149 0.000 0.988 344 D CA 1.347 55.281 54.000 -0.110 0.000 1.009 344 D CB -0.495 40.254 40.800 -0.084 0.000 1.067 344 D HN 0.655 nan 8.370 nan 0.000 0.444 345 D N 1.386 121.705 120.400 -0.134 0.000 2.352 345 D HA 0.077 4.717 4.640 -0.000 0.000 0.245 345 D C 1.549 177.689 176.300 -0.267 0.000 1.224 345 D CA 0.136 54.050 54.000 -0.144 0.000 0.879 345 D CB 0.581 41.343 40.800 -0.063 0.000 1.057 345 D HN 0.356 nan 8.370 nan 0.000 0.491 346 Q N 2.758 122.242 119.800 -0.526 0.000 2.360 346 Q HA -0.000 4.339 4.340 -0.000 0.000 0.202 346 Q C -0.085 175.566 176.000 -0.582 0.000 0.915 346 Q CA -0.111 55.287 55.803 -0.675 0.000 0.943 346 Q CB 0.004 28.113 28.738 -1.048 0.000 1.064 346 Q HN 0.440 nan 8.270 nan 0.000 0.511 347 W N 1.689 122.978 121.300 -0.017 0.000 1.611 347 W HA 0.322 4.982 4.660 -0.000 0.000 0.395 347 W C 0.940 177.466 176.519 0.011 0.000 0.698 347 W CA -0.953 56.414 57.345 0.036 0.000 1.845 347 W CB 0.435 29.916 29.460 0.036 0.000 1.818 347 W HN 0.174 nan 8.180 nan 0.000 0.270 348 M N 1.297 120.979 119.600 0.137 0.000 2.446 348 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 348 M C 2.245 178.602 176.300 0.095 0.000 1.066 348 M CA 1.840 57.168 55.300 0.048 0.000 1.087 348 M CB -0.218 32.383 32.600 0.003 0.000 1.406 348 M HN 0.271 nan 8.290 nan 0.000 0.459 349 Q N 0.160 120.056 119.800 0.161 0.000 2.226 349 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 349 Q C 1.022 177.107 176.000 0.141 0.000 0.975 349 Q CA 2.020 57.903 55.803 0.133 0.000 0.866 349 Q CB -0.144 28.692 28.738 0.163 0.000 0.915 349 Q HN 0.550 nan 8.270 nan 0.000 0.440 350 D N -0.894 119.584 120.400 0.130 0.000 2.338 350 D HA -0.015 4.624 4.640 -0.000 0.000 0.208 350 D C 1.206 177.423 176.300 -0.138 0.000 0.997 350 D CA 0.311 54.339 54.000 0.048 0.000 0.880 350 D CB 0.208 41.069 40.800 0.103 0.000 0.980 350 D HN 0.255 nan 8.370 nan 0.000 0.509 351 E N 0.155 120.284 120.200 -0.118 0.000 2.299 351 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 351 E C 1.069 177.473 176.600 -0.327 0.000 0.998 351 E CA 0.355 56.602 56.400 -0.254 0.000 0.851 351 E CB 0.469 30.101 29.700 -0.114 0.000 0.795 351 E HN 0.422 nan 8.360 nan 0.000 0.492 352 M N -0.879 118.667 119.600 -0.090 0.000 2.569 352 M HA 0.592 5.072 4.480 -0.000 0.000 0.279 352 M C -1.468 175.036 176.300 0.340 0.000 1.253 352 M CA -0.854 54.499 55.300 0.088 0.000 0.867 352 M CB 3.050 35.682 32.600 0.053 0.000 1.727 352 M HN -0.314 nan 8.290 nan 0.000 0.467 353 E N 1.970 122.429 120.200 0.432 0.000 2.263 353 E HA 0.538 4.888 4.350 -0.000 0.000 0.268 353 E C -1.887 175.010 176.600 0.495 0.000 0.884 353 E CA -0.543 56.108 56.400 0.419 0.000 0.766 353 E CB 1.730 31.657 29.700 0.379 0.000 1.196 353 E HN 0.728 nan 8.360 nan 0.000 0.416 354 I N 4.617 125.420 120.570 0.387 0.000 2.306 354 I HA 0.480 4.650 4.170 -0.000 0.000 0.288 354 I C 0.788 177.089 176.117 0.308 0.000 1.036 354 I CA -0.201 61.345 61.300 0.410 0.000 1.221 354 I CB 0.391 38.622 38.000 0.385 0.000 1.385 354 I HN 0.623 nan 8.210 nan 0.000 0.472 355 G N 6.305 115.295 108.800 0.317 0.000 3.008 355 G HA2 0.700 4.659 3.960 -0.000 0.000 0.181 355 G HA3 0.700 4.659 3.960 -0.000 0.000 0.181 355 G C -1.299 173.611 174.900 0.016 0.000 1.309 355 G CA -0.298 44.687 45.100 -0.191 0.000 1.009 355 G HN 0.565 nan 8.290 nan 0.000 0.584 356 Y N -1.740 118.372 120.300 -0.314 0.000 2.656 356 Y HA 0.709 5.259 4.550 -0.001 0.000 0.334 356 Y C -0.875 175.001 175.900 -0.040 0.000 1.179 356 Y CA -1.768 56.278 58.100 -0.090 0.000 1.050 356 Y CB 1.005 39.419 38.460 -0.076 0.000 1.308 356 Y HN 0.746 nan 8.280 nan 0.000 0.456 357 I N 0.411 121.090 120.570 0.182 0.000 2.740 357 I HA 0.756 4.926 4.170 -0.000 0.000 0.303 357 I C -1.284 175.042 176.117 0.349 0.000 1.044 357 I CA -1.059 60.346 61.300 0.174 0.000 1.064 357 I CB 2.387 40.537 38.000 0.250 0.000 1.249 357 I HN 0.845 nan 8.210 nan 0.000 0.433 358 Q N 3.967 124.012 119.800 0.408 0.000 2.263 358 Q HA 0.773 5.113 4.340 -0.000 0.000 0.262 358 Q C -2.072 174.334 176.000 0.677 0.000 0.984 358 Q CA -0.619 55.509 55.803 0.541 0.000 0.813 358 Q CB 2.324 31.493 28.738 0.718 0.000 1.299 358 Q HN 1.056 nan 8.270 nan 0.000 0.428 359 A N 4.040 127.093 122.820 0.390 0.000 2.527 359 A HA 0.723 5.043 4.320 -0.000 0.000 0.293 359 A C -2.504 175.185 177.584 0.174 0.000 1.117 359 A CA -1.542 50.662 52.037 0.278 0.000 0.723 359 A CB 1.378 20.354 19.000 -0.039 0.000 1.313 359 A HN 0.658 nan 8.150 nan 0.000 0.411 360 P HA -0.176 nan 4.420 nan 0.000 0.218 360 P C 0.849 178.243 177.300 0.156 0.000 1.148 360 P CA 1.841 65.042 63.100 0.169 0.000 0.822 360 P CB -0.076 31.627 31.700 0.005 0.000 0.784 361 H N -2.190 116.943 119.070 0.106 0.000 2.563 361 H HA 0.349 4.905 4.556 -0.001 0.000 0.264 361 H C 0.238 175.635 175.328 0.114 0.000 0.957 361 H CA 0.443 56.550 56.048 0.098 0.000 1.173 361 H CB 0.207 30.021 29.762 0.087 0.000 1.420 361 H HN -0.066 nan 8.280 nan 0.000 0.551 362 K N 0.759 121.018 120.400 -0.234 0.000 2.584 362 K HA 0.263 4.583 4.320 -0.000 0.000 0.260 362 K C -1.745 174.838 176.600 -0.029 0.000 0.949 362 K CA -0.166 56.047 56.287 -0.122 0.000 0.888 362 K CB 1.765 34.183 32.500 -0.137 0.000 1.330 362 K HN 0.066 nan 8.250 nan 0.000 0.432 363 T N 4.581 119.164 114.554 0.049 0.000 2.824 363 T HA 0.753 5.103 4.350 -0.000 0.000 0.282 363 T C -1.068 173.681 174.700 0.082 0.000 0.993 363 T CA -0.732 61.434 62.100 0.110 0.000 0.967 363 T CB 0.431 69.353 68.868 0.090 0.000 0.960 363 T HN 0.508 nan 8.240 nan 0.000 0.441 364 L N 1.317 122.613 121.223 0.122 0.000 2.424 364 L HA 0.871 5.211 4.340 -0.000 0.000 0.258 364 L C -3.017 173.889 176.870 0.061 0.000 0.995 364 L CA -2.748 52.128 54.840 0.061 0.000 0.821 364 L CB 1.838 43.939 42.059 0.070 0.000 1.383 364 L HN 0.243 nan 8.230 nan 0.000 0.410 365 P HA 0.274 nan 4.420 nan 0.000 0.275 365 P C -1.075 176.176 177.300 -0.082 0.000 1.228 365 P CA -0.228 62.736 63.100 -0.225 0.000 0.786 365 P CB 1.800 33.044 31.700 -0.760 0.000 0.927 366 V N 3.142 123.192 119.914 0.226 0.000 2.623 366 V HA 0.184 4.304 4.120 -0.000 0.000 0.304 366 V C 0.044 176.505 176.094 0.611 0.000 1.054 366 V CA -0.847 61.734 62.300 0.467 0.000 0.882 366 V CB 2.365 34.502 31.823 0.524 0.000 1.002 366 V HN 0.241 nan 8.190 nan 0.000 0.424 367 V N 4.968 125.196 119.914 0.523 0.000 2.406 367 V HA 0.343 4.463 4.120 -0.000 0.000 0.272 367 V C -0.254 175.904 176.094 0.106 0.000 1.043 367 V CA -0.342 62.179 62.300 0.369 0.000 0.915 367 V CB 1.065 33.014 31.823 0.210 0.000 0.988 367 V HN 0.678 nan 8.190 nan 0.000 0.466 368 F N 5.149 125.049 119.950 -0.084 0.000 2.413 368 F HA 0.423 4.950 4.527 0.000 0.000 0.359 368 F C 0.146 175.880 175.800 -0.111 0.000 1.122 368 F CA -1.621 56.116 58.000 -0.438 0.000 1.160 368 F CB 0.626 39.087 39.000 -0.898 0.000 1.146 368 F HN 0.585 nan 8.300 nan 0.000 0.514 369 D N 4.252 124.473 120.400 -0.299 0.000 2.313 369 D HA 0.109 4.749 4.640 -0.000 0.000 0.239 369 D C -0.356 175.583 176.300 -0.603 0.000 1.142 369 D CA 0.087 53.881 54.000 -0.343 0.000 0.847 369 D CB 1.234 41.904 40.800 -0.217 0.000 1.082 369 D HN 0.439 nan 8.370 nan 0.000 0.480 370 S N 4.111 119.262 115.700 -0.915 0.000 2.565 370 S HA 0.263 4.733 4.470 -0.000 0.000 0.276 370 S C -1.489 172.728 174.600 -0.638 0.000 1.326 370 S CA -1.183 56.245 58.200 -1.287 0.000 1.045 370 S CB 1.146 63.149 63.200 -1.994 0.000 0.918 370 S HN 0.409 nan 8.310 nan 0.000 0.505 371 P HA -0.084 nan 4.420 nan 0.000 0.234 371 P C 1.026 178.176 177.300 -0.251 0.000 1.167 371 P CA 0.457 63.377 63.100 -0.301 0.000 0.763 371 P CB -0.169 31.371 31.700 -0.265 0.000 0.835 372 R N 0.360 120.683 120.500 -0.295 0.000 2.170 372 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 372 R C 0.556 176.770 176.300 -0.144 0.000 1.145 372 R CA 1.096 57.076 56.100 -0.200 0.000 0.984 372 R CB -1.546 28.634 30.300 -0.201 0.000 0.869 372 R HN -0.081 nan 8.270 nan 0.000 0.455 373 N N 0.753 119.362 118.700 -0.152 0.000 2.699 373 N HA -0.199 4.541 4.740 -0.000 0.000 0.256 373 N C -0.457 175.012 175.510 -0.069 0.000 0.993 373 N CA 1.272 54.261 53.050 -0.101 0.000 0.759 373 N CB -0.692 37.738 38.487 -0.094 0.000 0.906 373 N HN 0.439 nan 8.380 nan 0.000 0.541 374 R N -0.149 120.316 120.500 -0.059 0.000 2.562 374 R HA 0.552 4.892 4.340 -0.000 0.000 0.217 374 R C 2.028 178.314 176.300 -0.024 0.000 1.234 374 R CA 0.483 56.565 56.100 -0.030 0.000 1.027 374 R CB -0.616 29.681 30.300 -0.005 0.000 1.525 374 R HN 0.164 nan 8.270 nan 0.000 0.527 375 G N 0.158 108.948 108.800 -0.016 0.000 2.448 375 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 375 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 375 G C 0.664 175.552 174.900 -0.020 0.000 1.127 375 G CA 0.444 45.530 45.100 -0.024 0.000 0.766 375 G HN 0.215 nan 8.290 nan 0.000 0.552 376 L N 0.813 122.024 121.223 -0.019 0.000 2.650 376 L HA 0.195 4.535 4.340 -0.000 0.000 0.235 376 L C 2.334 179.224 176.870 0.033 0.000 1.149 376 L CA 0.514 55.355 54.840 0.000 0.000 0.887 376 L CB -0.614 41.430 42.059 -0.026 0.000 1.021 376 L HN 0.309 nan 8.230 nan 0.000 0.441 377 K N -0.033 120.368 120.400 0.001 0.000 2.127 377 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 377 K C 1.367 177.977 176.600 0.015 0.000 1.047 377 K CA 1.477 57.758 56.287 -0.011 0.000 0.927 377 K CB 0.361 32.844 32.500 -0.029 0.000 0.716 377 K HN 0.243 nan 8.250 nan 0.000 0.450 378 E N -0.327 119.895 120.200 0.036 0.000 2.318 378 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 378 E C 1.569 178.201 176.600 0.054 0.000 0.998 378 E CA 0.230 56.645 56.400 0.025 0.000 0.859 378 E CB -0.224 29.484 29.700 0.014 0.000 0.812 378 E HN 0.299 nan 8.360 nan 0.000 0.492 379 F N 2.548 122.472 119.950 -0.043 0.000 2.120 379 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 379 F C -0.912 174.855 175.800 -0.053 0.000 1.095 379 F CA 1.380 59.353 58.000 -0.044 0.000 1.249 379 F CB -1.013 37.962 39.000 -0.043 0.000 0.995 379 F HN 0.066 nan 8.300 nan 0.000 0.480 380 P HA -0.114 nan 4.420 nan 0.000 0.217 380 P C 1.961 179.218 177.300 -0.072 0.000 1.151 380 P CA 1.735 64.787 63.100 -0.080 0.000 0.828 380 P CB -0.054 31.715 31.700 0.114 0.000 0.788 381 I N -0.784 119.735 120.570 -0.085 0.000 2.193 381 I HA -0.171 3.999 4.170 -0.000 0.000 0.240 381 I C 2.362 178.357 176.117 -0.202 0.000 1.084 381 I CA 1.429 62.597 61.300 -0.220 0.000 1.365 381 I CB -0.407 37.457 38.000 -0.227 0.000 1.064 381 I HN -0.131 nan 8.210 nan 0.000 0.410 382 K N 0.413 120.712 120.400 -0.167 0.000 2.007 382 K HA 0.005 4.325 4.320 -0.000 0.000 0.206 382 K C 1.378 177.867 176.600 -0.184 0.000 1.047 382 K CA 1.142 57.344 56.287 -0.143 0.000 0.937 382 K CB 0.151 32.603 32.500 -0.079 0.000 0.718 382 K HN 0.156 nan 8.250 nan 0.000 0.438 383 R N -0.057 120.256 120.500 -0.310 0.000 2.615 383 R HA 0.145 4.485 4.340 -0.000 0.000 0.448 383 R C 0.668 176.666 176.300 -0.504 0.000 1.009 383 R CA -0.143 55.767 56.100 -0.318 0.000 1.111 383 R CB 1.111 31.307 30.300 -0.174 0.000 1.461 383 R HN -0.047 nan 8.270 nan 0.000 0.587 384 V N 0.273 119.802 119.914 -0.641 0.000 2.690 384 V HA 0.148 4.268 4.120 -0.000 0.000 0.240 384 V C 1.201 176.892 176.094 -0.671 0.000 1.078 384 V CA 0.511 62.353 62.300 -0.763 0.000 1.102 384 V CB 0.193 31.540 31.823 -0.793 0.000 0.800 384 V HN 0.298 nan 8.190 nan 0.000 0.479 385 M N 0.680 120.095 119.600 -0.309 0.000 2.252 385 M HA 0.442 4.922 4.480 -0.000 0.000 0.348 385 M C 0.328 176.596 176.300 -0.053 0.000 1.334 385 M CA 1.278 56.536 55.300 -0.070 0.000 1.071 385 M CB 0.147 32.735 32.600 -0.020 0.000 1.763 385 M HN 0.396 nan 8.290 nan 0.000 0.452 386 G N 4.663 113.511 108.800 0.080 0.000 2.356 386 G HA2 0.277 4.237 3.960 -0.000 0.000 0.281 386 G HA3 0.277 4.237 3.960 -0.000 0.000 0.281 386 G C -3.343 171.646 174.900 0.149 0.000 1.246 386 G CA -0.963 44.185 45.100 0.080 0.000 0.889 386 G HN 0.387 nan 8.290 nan 0.000 0.486 387 P HA 0.271 nan 4.420 nan 0.000 0.260 387 P C -0.789 176.606 177.300 0.157 0.000 1.207 387 P CA 0.722 63.891 63.100 0.115 0.000 0.780 387 P CB 0.259 32.008 31.700 0.082 0.000 0.789 388 D N 1.022 121.509 120.400 0.145 0.000 2.870 388 D HA -0.227 4.412 4.640 -0.000 0.000 0.228 388 D C -0.722 175.675 176.300 0.160 0.000 1.147 388 D CA 1.200 55.276 54.000 0.128 0.000 0.757 388 D CB -1.637 39.211 40.800 0.080 0.000 1.091 388 D HN 0.405 nan 8.370 nan 0.000 0.429 389 F N 0.005 120.024 119.950 0.116 0.000 2.745 389 F HA 0.467 4.994 4.527 0.000 0.000 0.343 389 F C 0.880 176.781 175.800 0.167 0.000 1.196 389 F CA -0.557 57.528 58.000 0.142 0.000 1.021 389 F CB 1.202 40.274 39.000 0.120 0.000 1.297 389 F HN -0.067 nan 8.300 nan 0.000 0.486 390 G N 3.007 112.092 108.800 0.475 0.000 2.580 390 G HA2 0.272 4.232 3.960 -0.000 0.000 0.278 390 G HA3 0.272 4.232 3.960 -0.000 0.000 0.278 390 G C -2.205 172.977 174.900 0.470 0.000 1.212 390 G CA -0.183 45.167 45.100 0.417 0.000 0.939 390 G HN 0.601 nan 8.290 nan 0.000 0.513 391 Y N -0.883 119.564 120.300 0.246 0.000 2.545 391 Y HA 0.615 5.165 4.550 -0.000 0.000 0.348 391 Y C -0.697 175.283 175.900 0.133 0.000 1.002 391 Y CA -0.678 57.521 58.100 0.165 0.000 1.039 391 Y CB 2.333 40.849 38.460 0.093 0.000 1.271 391 Y HN 0.540 nan 8.280 nan 0.000 0.467 392 V N 2.804 122.232 119.914 -0.810 0.000 3.098 392 V HA 0.581 4.701 4.120 -0.000 0.000 0.294 392 V C -0.902 174.768 176.094 -0.706 0.000 1.351 392 V CA -0.832 61.131 62.300 -0.561 0.000 0.999 392 V CB 1.530 32.913 31.823 -0.733 0.000 1.104 392 V HN 0.837 nan 8.190 nan 0.000 0.438 393 T N 2.534 116.874 114.554 -0.356 0.000 2.894 393 T HA 0.770 5.120 4.350 -0.000 0.000 0.309 393 T C -1.423 173.193 174.700 -0.140 0.000 1.208 393 T CA -0.577 61.409 62.100 -0.190 0.000 1.016 393 T CB 1.914 70.734 68.868 -0.080 0.000 1.192 393 T HN 0.695 nan 8.240 nan 0.000 0.491 394 R N 0.769 121.216 120.500 -0.087 0.000 2.836 394 R HA 0.847 5.187 4.340 -0.000 0.000 0.269 394 R C 0.162 176.381 176.300 -0.136 0.000 1.010 394 R CA 0.095 56.130 56.100 -0.108 0.000 0.930 394 R CB 1.205 31.451 30.300 -0.089 0.000 1.218 394 R HN 1.259 nan 8.270 nan 0.000 0.473 395 G N 1.501 110.211 108.800 -0.149 0.000 2.707 395 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 395 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 395 G C -2.763 171.968 174.900 -0.280 0.000 1.315 395 G CA -1.037 43.877 45.100 -0.310 0.000 0.832 395 G HN 0.448 nan 8.290 nan 0.000 0.573 396 P HA 0.287 nan 4.420 nan 0.000 0.276 396 P C 0.041 177.237 177.300 -0.173 0.000 1.230 396 P CA -0.022 62.946 63.100 -0.220 0.000 0.776 396 P CB 1.342 32.916 31.700 -0.211 0.000 0.888 397 Q N 1.200 120.930 119.800 -0.117 0.000 2.352 397 Q HA 0.023 4.363 4.340 -0.000 0.000 0.212 397 Q C 1.455 177.408 176.000 -0.079 0.000 0.888 397 Q CA 0.995 56.739 55.803 -0.099 0.000 0.934 397 Q CB 0.138 28.830 28.738 -0.077 0.000 1.093 397 Q HN 0.630 nan 8.270 nan 0.000 0.523 398 T N -2.756 111.757 114.554 -0.067 0.000 3.054 398 T HA 0.449 4.798 4.350 -0.000 0.000 0.255 398 T C 0.601 175.272 174.700 -0.048 0.000 1.035 398 T CA 0.366 62.436 62.100 -0.051 0.000 0.941 398 T CB 0.648 69.493 68.868 -0.039 0.000 1.026 398 T HN 0.229 nan 8.240 nan 0.000 0.533 399 G N -1.291 107.475 108.800 -0.057 0.000 2.397 399 G HA2 0.471 4.431 3.960 -0.000 0.000 0.453 399 G HA3 0.471 4.431 3.960 -0.000 0.000 0.453 399 G C 0.087 174.963 174.900 -0.038 0.000 1.579 399 G CA -0.386 44.687 45.100 -0.046 0.000 0.906 399 G HN 1.323 nan 8.290 nan 0.000 0.675 400 G N -0.512 108.272 108.800 -0.026 0.000 2.334 400 G HA2 0.370 4.330 3.960 -0.000 0.000 0.222 400 G HA3 0.370 4.330 3.960 -0.000 0.000 0.222 400 G C -0.519 174.407 174.900 0.043 0.000 1.077 400 G CA 0.304 45.411 45.100 0.012 0.000 0.861 400 G HN 1.271 nan 8.290 nan 0.000 0.508 401 I N 0.778 121.354 120.570 0.010 0.000 3.002 401 I HA 0.826 4.996 4.170 -0.000 0.000 0.310 401 I C 0.328 176.450 176.117 0.009 0.000 1.087 401 I CA -0.878 60.425 61.300 0.004 0.000 1.017 401 I CB 2.253 40.218 38.000 -0.058 0.000 1.226 401 I HN 0.094 nan 8.210 nan 0.000 0.443 402 S N 1.177 116.887 115.700 0.016 0.000 2.726 402 S HA 0.499 4.969 4.470 -0.000 0.000 0.308 402 S C 1.008 175.612 174.600 0.006 0.000 1.115 402 S CA -0.215 57.991 58.200 0.010 0.000 0.965 402 S CB 1.419 64.638 63.200 0.031 0.000 1.145 402 S HN 0.859 nan 8.310 nan 0.000 0.532 403 G N 0.460 109.268 108.800 0.013 0.000 2.475 403 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.220 403 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.220 403 G C 0.852 175.834 174.900 0.136 0.000 1.125 403 G CA 0.687 45.825 45.100 0.062 0.000 0.755 403 G HN 0.599 nan 8.290 nan 0.000 0.565 404 L N 0.533 121.816 121.223 0.100 0.000 2.599 404 L HA 0.123 4.463 4.340 -0.000 0.000 0.230 404 L C 1.134 178.045 176.870 0.069 0.000 1.141 404 L CA 0.344 55.253 54.840 0.115 0.000 0.877 404 L CB -0.124 42.019 42.059 0.139 0.000 1.009 404 L HN 0.112 nan 8.230 nan 0.000 0.447 405 D N -0.102 120.318 120.400 0.034 0.000 2.340 405 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 405 D C 0.635 176.883 176.300 -0.087 0.000 1.039 405 D CA 0.217 54.223 54.000 0.010 0.000 0.866 405 D CB 0.546 41.325 40.800 -0.035 0.000 0.913 405 D HN 0.151 nan 8.370 nan 0.000 0.523 406 S N -0.042 115.587 115.700 -0.118 0.000 2.565 406 S HA 0.198 4.668 4.470 -0.000 0.000 0.276 406 S C 0.945 175.488 174.600 -0.095 0.000 1.326 406 S CA -0.515 57.564 58.200 -0.203 0.000 1.045 406 S CB 0.737 63.859 63.200 -0.130 0.000 0.918 406 S HN 0.183 nan 8.310 nan 0.000 0.505 407 F N 0.940 120.762 119.950 -0.213 0.000 2.773 407 F HA 0.106 4.633 4.527 0.000 0.000 0.304 407 F C 2.240 177.991 175.800 -0.081 0.000 1.129 407 F CA -0.583 57.333 58.000 -0.139 0.000 1.378 407 F CB -0.024 38.916 39.000 -0.101 0.000 1.095 407 F HN 0.820 nan 8.300 nan 0.000 0.565 408 G N 0.212 109.017 108.800 0.009 0.000 2.471 408 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 408 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 408 G C 1.243 176.098 174.900 -0.075 0.000 1.125 408 G CA 0.461 45.592 45.100 0.052 0.000 0.775 408 G HN 0.220 nan 8.290 nan 0.000 0.548 409 N N -0.621 117.892 118.700 -0.313 0.000 2.383 409 N HA 0.108 4.847 4.740 -0.000 0.000 0.192 409 N C -0.331 175.226 175.510 0.078 0.000 1.141 409 N CA -0.226 52.776 53.050 -0.081 0.000 0.851 409 N CB 0.019 38.455 38.487 -0.086 0.000 0.976 409 N HN 0.181 nan 8.380 nan 0.000 0.465 410 L N 0.852 122.113 121.223 0.063 0.000 2.343 410 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 410 L C -0.970 175.953 176.870 0.089 0.000 0.996 410 L CA -0.208 54.659 54.840 0.046 0.000 0.831 410 L CB 1.037 42.969 42.059 -0.212 0.000 1.232 410 L HN -0.072 nan 8.230 nan 0.000 0.413 411 E N 3.543 123.810 120.200 0.112 0.000 2.445 411 E HA 0.770 5.119 4.350 -0.000 0.000 0.273 411 E C -1.353 175.294 176.600 0.078 0.000 0.961 411 E CA -0.665 55.799 56.400 0.108 0.000 0.807 411 E CB 2.433 32.196 29.700 0.105 0.000 1.362 411 E HN 0.293 nan 8.360 nan 0.000 0.453 412 V N -0.656 119.278 119.914 0.034 0.000 2.876 412 V HA 0.543 4.663 4.120 -0.000 0.000 0.312 412 V C 0.217 176.184 176.094 -0.212 0.000 1.085 412 V CA -1.141 61.129 62.300 -0.051 0.000 0.945 412 V CB 1.532 33.325 31.823 -0.050 0.000 1.017 412 V HN 0.772 nan 8.190 nan 0.000 0.428 413 S N 2.540 118.032 115.700 -0.347 0.000 2.632 413 S HA 0.653 5.123 4.470 -0.000 0.000 0.267 413 S C -2.467 171.706 174.600 -0.712 0.000 1.276 413 S CA -1.084 56.627 58.200 -0.815 0.000 0.998 413 S CB 1.117 63.951 63.200 -0.611 0.000 0.953 413 S HN 0.626 nan 8.310 nan 0.000 0.547 414 P HA 0.321 nan 4.420 nan 0.000 0.273 414 P C -2.590 174.462 177.300 -0.414 0.000 1.250 414 P CA -1.304 61.435 63.100 -0.601 0.000 0.793 414 P CB -0.841 30.353 31.700 -0.845 0.000 1.011 415 P HA 0.017 nan 4.420 nan 0.000 0.265 415 P C -0.644 176.597 177.300 -0.099 0.000 1.187 415 P CA 0.771 63.761 63.100 -0.183 0.000 0.766 415 P CB 0.278 31.894 31.700 -0.141 0.000 0.820 416 V N 2.746 122.629 119.914 -0.052 0.000 3.120 416 V HA 0.561 4.681 4.120 -0.000 0.000 0.303 416 V C -1.206 174.944 176.094 0.094 0.000 1.238 416 V CA -0.310 62.020 62.300 0.050 0.000 1.008 416 V CB 2.730 34.571 31.823 0.031 0.000 1.064 416 V HN 0.452 nan 8.190 nan 0.000 0.434 417 T N 4.080 118.689 114.554 0.092 0.000 2.841 417 T HA 0.712 5.061 4.350 -0.000 0.000 0.283 417 T C -1.076 173.685 174.700 0.101 0.000 1.000 417 T CA -0.385 61.759 62.100 0.074 0.000 0.977 417 T CB 1.521 70.399 68.868 0.017 0.000 0.979 417 T HN 0.704 nan 8.240 nan 0.000 0.446 418 V N 4.433 124.422 119.914 0.124 0.000 2.447 418 V HA 0.453 4.573 4.120 -0.000 0.000 0.292 418 V C 0.354 176.490 176.094 0.069 0.000 1.021 418 V CA -1.151 61.218 62.300 0.115 0.000 0.850 418 V CB 1.100 33.031 31.823 0.180 0.000 1.005 418 V HN 0.941 nan 8.190 nan 0.000 0.426 419 R N 3.518 124.041 120.500 0.038 0.000 3.225 419 R HA -0.258 4.082 4.340 -0.000 0.000 0.245 419 R C 1.362 177.666 176.300 0.007 0.000 0.928 419 R CA 0.790 56.901 56.100 0.019 0.000 0.632 419 R CB -1.473 28.837 30.300 0.017 0.000 1.038 419 R HN 1.583 nan 8.270 nan 0.000 0.461 420 G N -0.456 108.344 108.800 0.001 0.000 2.284 420 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.247 420 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.247 420 G C 0.158 175.027 174.900 -0.050 0.000 1.012 420 G CA 0.565 45.654 45.100 -0.020 0.000 0.618 420 G HN 0.414 nan 8.290 nan 0.000 0.521 421 K N 1.626 121.991 120.400 -0.058 0.000 2.276 421 K HA 0.419 4.739 4.320 -0.000 0.000 0.285 421 K C 0.062 176.504 176.600 -0.263 0.000 1.062 421 K CA -0.319 55.864 56.287 -0.174 0.000 0.918 421 K CB 0.329 32.711 32.500 -0.198 0.000 1.055 421 K HN 0.403 nan 8.250 nan 0.000 0.477 422 E N 2.996 122.993 120.200 -0.338 0.000 2.313 422 E HA 0.058 4.408 4.350 -0.000 0.000 0.276 422 E C -1.180 175.051 176.600 -0.616 0.000 1.031 422 E CA -0.192 56.009 56.400 -0.332 0.000 0.857 422 E CB 0.713 30.254 29.700 -0.264 0.000 1.040 422 E HN 0.456 nan 8.360 nan 0.000 0.408 423 Y N 3.295 123.472 120.300 -0.204 0.000 2.787 423 Y HA 0.194 4.745 4.550 0.002 0.000 0.352 423 Y C -1.690 173.989 175.900 -0.369 0.000 1.027 423 Y CA -1.822 56.128 58.100 -0.250 0.000 1.219 423 Y CB 1.175 39.519 38.460 -0.193 0.000 1.110 423 Y HN 0.499 nan 8.280 nan 0.000 0.614 424 P HA 0.005 nan 4.420 nan 0.000 0.245 424 P C 0.444 177.242 177.300 -0.837 0.000 1.212 424 P CA 0.862 63.534 63.100 -0.712 0.000 0.774 424 P CB 0.508 31.380 31.700 -1.379 0.000 0.999 425 L N -1.555 119.236 121.223 -0.720 0.000 2.910 425 L HA 0.426 4.766 4.340 -0.000 0.000 0.252 425 L C 1.151 177.691 176.870 -0.550 0.000 1.195 425 L CA -0.111 54.102 54.840 -1.046 0.000 1.003 425 L CB -0.486 41.235 42.059 -0.563 0.000 1.328 425 L HN 0.015 nan 8.230 nan 0.000 0.540 426 G N 1.202 109.791 108.800 -0.353 0.000 2.752 426 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.234 426 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.234 426 G C -0.454 174.336 174.900 -0.182 0.000 1.367 426 G CA -0.691 44.272 45.100 -0.229 0.000 0.879 426 G HN 0.225 nan 8.290 nan 0.000 0.563 427 R N -0.780 119.590 120.500 -0.217 0.000 2.532 427 R HA 0.437 4.777 4.340 -0.000 0.000 0.297 427 R C 0.328 176.556 176.300 -0.120 0.000 0.984 427 R CA -0.926 55.046 56.100 -0.213 0.000 0.884 427 R CB 1.507 31.601 30.300 -0.344 0.000 1.182 427 R HN 0.539 nan 8.270 nan 0.000 0.442 428 I N 3.333 123.874 120.570 -0.048 0.000 2.752 428 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 428 I C -0.130 176.031 176.117 0.072 0.000 1.188 428 I CA 0.299 61.623 61.300 0.040 0.000 1.427 428 I CB 0.351 38.411 38.000 0.100 0.000 1.365 428 I HN 0.128 nan 8.210 nan 0.000 0.585 429 L N 8.143 129.429 121.223 0.105 0.000 2.356 429 L HA 0.552 4.892 4.340 -0.000 0.000 0.277 429 L C -0.596 176.394 176.870 0.199 0.000 0.996 429 L CA -0.379 54.508 54.840 0.079 0.000 0.822 429 L CB 1.127 43.228 42.059 0.071 0.000 1.256 429 L HN 0.418 nan 8.230 nan 0.000 0.413 430 F N 0.195 120.182 119.950 0.061 0.000 2.619 430 F HA 0.886 5.413 4.527 -0.001 0.000 0.308 430 F C 0.287 176.156 175.800 0.114 0.000 1.097 430 F CA -1.175 56.867 58.000 0.070 0.000 0.953 430 F CB 1.331 40.366 39.000 0.059 0.000 1.287 430 F HN 0.512 nan 8.300 nan 0.000 0.446 431 G N 1.155 110.119 108.800 0.273 0.000 2.444 431 G HA2 0.466 4.426 3.960 -0.000 0.000 0.268 431 G HA3 0.466 4.426 3.960 -0.000 0.000 0.268 431 G C -1.739 173.323 174.900 0.270 0.000 1.203 431 G CA 0.011 45.247 45.100 0.226 0.000 0.835 431 G HN 0.870 nan 8.290 nan 0.000 0.543 432 D N -1.220 119.315 120.400 0.226 0.000 2.752 432 D HA 0.540 5.179 4.640 -0.000 0.000 0.313 432 D C 0.451 176.921 176.300 0.284 0.000 1.225 432 D CA -0.305 53.830 54.000 0.225 0.000 0.976 432 D CB 1.448 42.348 40.800 0.167 0.000 1.443 432 D HN 0.514 nan 8.370 nan 0.000 0.515 433 S N -1.067 114.759 115.700 0.210 0.000 2.694 433 S HA 0.321 4.791 4.470 -0.000 0.000 0.278 433 S C 1.056 175.667 174.600 0.018 0.000 1.152 433 S CA -0.416 57.907 58.200 0.205 0.000 1.010 433 S CB 0.909 64.134 63.200 0.042 0.000 1.104 433 S HN 0.607 nan 8.310 nan 0.000 0.547 434 C N -0.346 118.782 119.300 -0.286 0.000 2.504 434 C HA 0.340 4.800 4.460 -0.000 0.000 0.279 434 C C 0.295 175.271 174.990 -0.023 0.000 1.358 434 C CA -0.032 58.789 59.018 -0.328 0.000 1.747 434 C CB -1.437 25.875 27.740 -0.713 0.000 2.037 434 C HN 0.840 nan 8.230 nan 0.000 0.503 435 Y N -1.067 119.160 120.300 -0.122 0.000 2.581 435 Y HA 0.633 5.183 4.550 -0.001 0.000 0.337 435 Y C -3.153 172.735 175.900 -0.021 0.000 1.108 435 Y CA -2.984 55.081 58.100 -0.058 0.000 1.033 435 Y CB 0.002 38.420 38.460 -0.071 0.000 1.318 435 Y HN -0.200 nan 8.280 nan 0.000 0.459 436 P HA 0.256 nan 4.420 nan 0.000 0.282 436 P C -0.721 176.579 177.300 0.001 0.000 1.274 436 P CA 0.081 63.177 63.100 -0.007 0.000 0.770 436 P CB 1.461 33.190 31.700 0.049 0.000 0.867 437 S N 2.352 117.981 115.700 -0.117 0.000 2.806 437 S HA 0.373 4.842 4.470 -0.000 0.000 0.315 437 S C 1.055 175.635 174.600 -0.033 0.000 1.127 437 S CA -0.784 57.390 58.200 -0.043 0.000 0.918 437 S CB 0.640 63.778 63.200 -0.103 0.000 1.240 437 S HN 0.203 nan 8.310 nan 0.000 0.552 438 N N 1.162 119.855 118.700 -0.012 0.000 2.364 438 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 438 N C 0.325 175.811 175.510 -0.040 0.000 1.022 438 N CA 1.125 54.166 53.050 -0.017 0.000 0.883 438 N CB -0.345 38.140 38.487 -0.004 0.000 0.965 438 N HN 0.616 nan 8.380 nan 0.000 0.438 439 D N -0.153 120.214 120.400 -0.055 0.000 2.398 439 D HA 0.033 4.673 4.640 -0.000 0.000 0.210 439 D C 0.175 176.422 176.300 -0.088 0.000 1.094 439 D CA 0.059 54.012 54.000 -0.078 0.000 0.839 439 D CB 0.578 41.340 40.800 -0.063 0.000 0.963 439 D HN 0.177 nan 8.370 nan 0.000 0.506 440 S N 0.385 116.032 115.700 -0.088 0.000 2.610 440 S HA 0.509 4.979 4.470 -0.000 0.000 0.273 440 S C 0.285 174.859 174.600 -0.043 0.000 1.274 440 S CA -0.702 57.452 58.200 -0.077 0.000 1.023 440 S CB 2.122 65.248 63.200 -0.122 0.000 0.962 440 S HN -0.019 nan 8.310 nan 0.000 0.523 441 R N 0.805 121.296 120.500 -0.014 0.000 2.828 441 R HA 0.612 4.952 4.340 -0.000 0.000 0.264 441 R C -0.552 175.777 176.300 0.050 0.000 1.022 441 R CA -0.849 55.255 56.100 0.007 0.000 1.021 441 R CB 1.448 31.749 30.300 0.003 0.000 1.163 441 R HN 0.904 nan 8.270 nan 0.000 0.494 442 Q N 1.069 120.906 119.800 0.062 0.000 2.482 442 Q HA 0.352 4.692 4.340 -0.000 0.000 0.286 442 Q C -1.119 174.943 176.000 0.104 0.000 1.007 442 Q CA -0.959 54.907 55.803 0.105 0.000 0.801 442 Q CB 1.892 30.681 28.738 0.086 0.000 1.455 442 Q HN 0.549 nan 8.270 nan 0.000 0.398 443 M N 2.470 122.156 119.600 0.143 0.000 2.248 443 M HA 0.143 4.623 4.480 -0.000 0.000 0.337 443 M C -0.321 176.024 176.300 0.075 0.000 1.121 443 M CA -0.228 55.131 55.300 0.099 0.000 1.155 443 M CB 0.705 33.327 32.600 0.036 0.000 1.514 443 M HN 0.858 nan 8.290 nan 0.000 0.452 444 H N 2.880 121.952 119.070 0.004 0.000 2.897 444 H HA -0.041 4.515 4.556 -0.000 0.000 0.347 444 H C 0.294 175.626 175.328 0.007 0.000 1.068 444 H CA 0.577 56.628 56.048 0.005 0.000 1.426 444 H CB 1.231 30.988 29.762 -0.009 0.000 1.410 444 H HN 0.866 nan 8.280 nan 0.000 0.597 445 Q N 3.889 123.496 119.800 -0.321 0.000 2.226 445 Q HA -0.084 4.255 4.340 -0.000 0.000 0.204 445 Q C 1.925 177.963 176.000 0.064 0.000 0.975 445 Q CA 1.800 57.541 55.803 -0.103 0.000 0.866 445 Q CB -0.250 28.404 28.738 -0.141 0.000 0.915 445 Q HN 0.748 nan 8.270 nan 0.000 0.440 446 A N -0.262 122.723 122.820 0.274 0.000 1.969 446 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 446 A C 1.922 179.624 177.584 0.197 0.000 1.169 446 A CA 1.123 53.312 52.037 0.254 0.000 0.635 446 A CB -0.499 18.672 19.000 0.286 0.000 0.810 446 A HN 0.429 nan 8.150 nan 0.000 0.445 447 L N -0.972 120.368 121.223 0.195 0.000 2.072 447 L HA -0.203 4.137 4.340 -0.000 0.000 0.205 447 L C 2.810 179.732 176.870 0.086 0.000 1.079 447 L CA 1.429 56.375 54.840 0.178 0.000 0.752 447 L CB -1.030 41.115 42.059 0.143 0.000 0.906 447 L HN 0.496 nan 8.230 nan 0.000 0.436 448 Q N 0.203 119.980 119.800 -0.038 0.000 2.050 448 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 448 Q C 1.854 177.857 176.000 0.005 0.000 0.980 448 Q CA 1.628 57.349 55.803 -0.136 0.000 0.840 448 Q CB -0.151 28.547 28.738 -0.066 0.000 0.898 448 Q HN 0.453 nan 8.270 nan 0.000 0.424 449 D N 0.378 120.815 120.400 0.061 0.000 2.104 449 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 449 D C 1.518 177.867 176.300 0.081 0.000 0.994 449 D CA 0.871 54.916 54.000 0.075 0.000 0.830 449 D CB -0.363 40.492 40.800 0.093 0.000 0.959 449 D HN 0.137 nan 8.370 nan 0.000 0.452 450 F N 1.159 121.084 119.950 -0.042 0.000 2.095 450 F HA -0.157 4.370 4.527 0.001 0.000 0.298 450 F C 2.059 177.783 175.800 -0.126 0.000 1.104 450 F CA 1.246 59.184 58.000 -0.104 0.000 1.232 450 F CB -0.336 38.553 39.000 -0.185 0.000 0.987 450 F HN -0.094 nan 8.300 nan 0.000 0.475 451 L N -0.798 120.354 121.223 -0.118 0.000 2.046 451 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 451 L C 2.614 179.383 176.870 -0.168 0.000 1.077 451 L CA 1.430 56.159 54.840 -0.186 0.000 0.747 451 L CB -1.000 41.040 42.059 -0.031 0.000 0.896 451 L HN 0.069 nan 8.230 nan 0.000 0.432 452 S N -0.307 115.345 115.700 -0.080 0.000 2.382 452 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 452 S C 2.118 176.660 174.600 -0.096 0.000 1.027 452 S CA 1.168 59.341 58.200 -0.046 0.000 0.991 452 S CB -0.214 62.994 63.200 0.013 0.000 0.823 452 S HN 0.484 nan 8.310 nan 0.000 0.469 453 A N 0.817 123.555 122.820 -0.138 0.000 2.121 453 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 453 A C 0.859 178.316 177.584 -0.211 0.000 1.154 453 A CA 0.746 52.697 52.037 -0.142 0.000 0.679 453 A CB -0.112 18.824 19.000 -0.106 0.000 0.795 453 A HN 0.346 nan 8.150 nan 0.000 0.458 454 Q N 0.669 120.276 119.800 -0.322 0.000 2.452 454 Q HA 0.168 4.508 4.340 -0.000 0.000 0.230 454 Q C 0.278 176.175 176.000 -0.172 0.000 1.180 454 Q CA 0.171 55.798 55.803 -0.293 0.000 0.914 454 Q CB 0.397 28.901 28.738 -0.390 0.000 1.408 454 Q HN 0.676 nan 8.270 nan 0.000 0.520 455 Q N 0.358 120.093 119.800 -0.108 0.000 2.364 455 Q HA -0.068 4.272 4.340 -0.000 0.000 0.209 455 Q C 1.306 177.261 176.000 -0.074 0.000 0.977 455 Q CA 0.672 56.422 55.803 -0.088 0.000 0.885 455 Q CB 0.273 28.949 28.738 -0.103 0.000 0.941 455 Q HN 0.301 nan 8.270 nan 0.000 0.464 456 V N 0.415 120.298 119.914 -0.053 0.000 3.306 456 V HA -0.122 3.998 4.120 -0.000 0.000 0.264 456 V C 0.666 176.751 176.094 -0.015 0.000 1.149 456 V CA 1.261 63.559 62.300 -0.003 0.000 1.143 456 V CB 0.130 32.013 31.823 0.099 0.000 0.767 456 V HN 0.338 nan 8.190 nan 0.000 0.476 457 Q N -0.007 119.768 119.800 -0.040 0.000 2.217 457 Q HA 0.480 4.820 4.340 -0.000 0.000 0.340 457 Q C 0.470 176.449 176.000 -0.035 0.000 0.893 457 Q CA -0.003 55.776 55.803 -0.041 0.000 1.142 457 Q CB 1.042 29.732 28.738 -0.080 0.000 1.288 457 Q HN 0.403 nan 8.270 nan 0.000 0.426 458 A N 2.372 125.195 122.820 0.006 0.000 1.829 458 A HA -0.139 4.181 4.320 -0.000 0.000 0.338 458 A C -2.192 175.369 177.584 -0.038 0.000 0.916 458 A CA -0.365 51.673 52.037 0.002 0.000 1.518 458 A CB -0.932 18.118 19.000 0.085 0.000 0.646 458 A HN 0.196 nan 8.150 nan 0.000 0.228 459 P HA 0.194 nan 4.420 nan 0.000 0.266 459 P C -0.356 176.951 177.300 0.013 0.000 1.193 459 P CA 0.109 63.266 63.100 0.096 0.000 0.770 459 P CB 0.642 32.523 31.700 0.302 0.000 0.836 460 V N 3.786 123.666 119.914 -0.058 0.000 2.487 460 V HA 0.261 4.381 4.120 -0.000 0.000 0.298 460 V C 0.270 176.149 176.094 -0.359 0.000 1.028 460 V CA -0.653 61.557 62.300 -0.149 0.000 0.860 460 V CB 1.642 33.391 31.823 -0.125 0.000 0.991 460 V HN 0.393 nan 8.190 nan 0.000 0.427 461 K N 4.902 125.053 120.400 -0.415 0.000 2.297 461 K HA 0.591 4.911 4.320 -0.000 0.000 0.286 461 K C -0.800 175.685 176.600 -0.191 0.000 1.053 461 K CA -0.172 55.775 56.287 -0.567 0.000 0.940 461 K CB 0.843 33.142 32.500 -0.335 0.000 1.019 461 K HN 0.500 nan 8.250 nan 0.000 0.475 462 L N 2.277 123.436 121.223 -0.106 0.000 2.298 462 L HA 0.427 4.767 4.340 -0.000 0.000 0.268 462 L C -0.382 176.673 176.870 0.309 0.000 1.010 462 L CA -1.220 53.718 54.840 0.163 0.000 0.812 462 L CB 0.793 43.003 42.059 0.251 0.000 1.331 462 L HN 0.566 nan 8.230 nan 0.000 0.450 463 Y N 0.419 120.893 120.300 0.291 0.000 2.434 463 Y HA 0.188 4.738 4.550 -0.000 0.000 0.341 463 Y C 0.613 176.744 175.900 0.386 0.000 0.965 463 Y CA -0.415 57.855 58.100 0.283 0.000 1.205 463 Y CB 1.108 39.720 38.460 0.252 0.000 1.121 463 Y HN 0.652 nan 8.280 nan 0.000 0.507 464 S N 0.850 116.664 115.700 0.190 0.000 2.733 464 S HA 0.012 4.482 4.470 -0.000 0.000 0.247 464 S C 0.681 175.018 174.600 -0.438 0.000 1.043 464 S CA -0.048 58.077 58.200 -0.125 0.000 1.066 464 S CB 0.152 63.432 63.200 0.133 0.000 1.045 464 S HN 0.762 nan 8.310 nan 0.000 0.586 465 D N 2.027 122.320 120.400 -0.180 0.000 2.347 465 D HA -0.002 4.638 4.640 -0.000 0.000 0.215 465 D C 1.551 177.778 176.300 -0.121 0.000 0.976 465 D CA 0.824 54.781 54.000 -0.072 0.000 0.884 465 D CB -0.194 40.699 40.800 0.156 0.000 0.915 465 D HN 0.748 nan 8.370 nan 0.000 0.526 466 W N 0.191 121.283 121.300 -0.347 0.000 2.699 466 W HA 0.123 4.783 4.660 -0.001 0.000 0.249 466 W C -0.289 176.138 176.519 -0.154 0.000 1.280 466 W CA -0.237 56.970 57.345 -0.230 0.000 1.345 466 W CB -0.947 28.229 29.460 -0.474 0.000 1.128 466 W HN -0.104 nan 8.180 nan 0.000 0.642 467 L N 1.824 122.557 121.223 -0.817 0.000 2.334 467 L HA 0.093 4.433 4.340 -0.000 0.000 0.277 467 L C 2.077 178.758 176.870 -0.314 0.000 1.075 467 L CA -0.217 54.199 54.840 -0.707 0.000 0.804 467 L CB 1.683 43.173 42.059 -0.947 0.000 1.174 467 L HN -0.177 nan 8.230 nan 0.000 0.438 468 S N 1.984 117.574 115.700 -0.182 0.000 2.359 468 S HA -0.162 4.307 4.470 -0.000 0.000 0.222 468 S C 1.605 176.120 174.600 -0.141 0.000 1.038 468 S CA 1.992 60.138 58.200 -0.091 0.000 1.051 468 S CB 0.065 63.247 63.200 -0.030 0.000 0.944 468 S HN 0.475 nan 8.310 nan 0.000 0.433 469 V N 0.397 120.176 119.914 -0.225 0.000 2.323 469 V HA 0.183 4.303 4.120 -0.000 0.000 0.244 469 V C 1.833 177.716 176.094 -0.352 0.000 1.041 469 V CA 1.180 63.270 62.300 -0.351 0.000 1.025 469 V CB -1.308 30.195 31.823 -0.533 0.000 0.656 469 V HN 0.844 nan 8.190 nan 0.000 0.451 470 G N -0.090 108.510 108.800 -0.333 0.000 2.207 470 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 470 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 470 G C -0.162 174.782 174.900 0.075 0.000 1.053 470 G CA -0.100 44.891 45.100 -0.181 0.000 0.764 470 G HN 0.651 nan 8.290 nan 0.000 0.495 471 H N -1.207 117.801 119.070 -0.102 0.000 2.492 471 H HA 0.432 4.988 4.556 -0.000 0.000 0.345 471 H C 1.619 176.918 175.328 -0.048 0.000 1.136 471 H CA -0.755 55.275 56.048 -0.030 0.000 1.202 471 H CB 2.162 31.917 29.762 -0.012 0.000 1.524 471 H HN 0.321 nan 8.280 nan 0.000 0.506 472 V N -0.441 119.510 119.914 0.063 0.000 2.720 472 V HA -0.227 3.893 4.120 -0.000 0.000 0.256 472 V C 1.639 177.467 176.094 -0.443 0.000 1.082 472 V CA 1.936 64.065 62.300 -0.286 0.000 1.101 472 V CB -0.363 31.331 31.823 -0.215 0.000 0.693 472 V HN 0.857 nan 8.190 nan 0.000 0.479 473 D N 0.712 121.029 120.400 -0.138 0.000 2.312 473 D HA -0.185 4.454 4.640 -0.000 0.000 0.211 473 D C 1.737 177.984 176.300 -0.088 0.000 0.964 473 D CA 1.287 55.193 54.000 -0.157 0.000 0.877 473 D CB -0.485 40.265 40.800 -0.082 0.000 0.924 473 D HN 0.654 nan 8.370 nan 0.000 0.515 474 E N -0.804 119.392 120.200 -0.007 0.000 2.338 474 E HA -0.063 4.286 4.350 -0.000 0.000 0.197 474 E C 0.818 177.569 176.600 0.252 0.000 1.007 474 E CA 0.752 57.212 56.400 0.100 0.000 0.849 474 E CB -0.219 29.519 29.700 0.063 0.000 0.774 474 E HN 0.638 nan 8.360 nan 0.000 0.506 475 F N -1.194 118.818 119.950 0.103 0.000 2.871 475 F HA 0.277 4.803 4.527 -0.001 0.000 0.344 475 F C -0.151 175.700 175.800 0.085 0.000 1.078 475 F CA -1.013 57.085 58.000 0.164 0.000 1.149 475 F CB 0.243 39.384 39.000 0.234 0.000 1.087 475 F HN -0.205 nan 8.300 nan 0.000 0.557 476 L N -0.688 120.320 121.223 -0.359 0.000 2.350 476 L HA 0.953 5.293 4.340 -0.000 0.000 0.260 476 L C -0.419 176.299 176.870 -0.253 0.000 1.015 476 L CA -0.903 53.767 54.840 -0.283 0.000 0.821 476 L CB 1.756 43.568 42.059 -0.412 0.000 1.370 476 L HN -0.020 nan 8.230 nan 0.000 0.416 477 S N 0.261 115.811 115.700 -0.250 0.000 2.625 477 S HA 0.828 5.298 4.470 -0.000 0.000 0.271 477 S C -1.791 172.647 174.600 -0.271 0.000 1.161 477 S CA -0.450 57.640 58.200 -0.183 0.000 0.820 477 S CB 0.925 64.068 63.200 -0.095 0.000 1.137 477 S HN 0.524 nan 8.310 nan 0.000 0.470 478 F N 1.393 121.343 119.950 -0.000 0.000 2.551 478 F HA 0.676 5.203 4.527 -0.000 0.000 0.316 478 F C -0.116 175.721 175.800 0.062 0.000 1.089 478 F CA -0.577 57.447 58.000 0.041 0.000 0.915 478 F CB 2.209 41.193 39.000 -0.026 0.000 1.186 478 F HN 0.471 nan 8.300 nan 0.000 0.456 479 V N 0.817 120.908 119.914 0.296 0.000 2.962 479 V HA 0.741 4.861 4.120 -0.000 0.000 0.313 479 V C -2.937 173.291 176.094 0.223 0.000 1.099 479 V CA -3.023 59.394 62.300 0.195 0.000 0.971 479 V CB 1.828 33.721 31.823 0.117 0.000 1.028 479 V HN 0.423 nan 8.190 nan 0.000 0.430 480 P HA 0.596 nan 4.420 nan 0.000 0.272 480 P C -0.649 176.714 177.300 0.104 0.000 1.223 480 P CA 0.108 63.292 63.100 0.139 0.000 0.784 480 P CB 1.063 32.809 31.700 0.076 0.000 0.923 481 A N 2.901 125.776 122.820 0.092 0.000 2.539 481 A HA 0.634 4.954 4.320 -0.000 0.000 0.296 481 A C -2.312 175.286 177.584 0.023 0.000 1.073 481 A CA -1.209 50.852 52.037 0.039 0.000 0.700 481 A CB 1.163 20.171 19.000 0.014 0.000 1.296 481 A HN 0.325 nan 8.150 nan 0.000 0.405 482 P HA 0.114 nan 4.420 nan 0.000 0.249 482 P C -0.343 176.955 177.300 -0.003 0.000 1.229 482 P CA 0.891 63.994 63.100 0.004 0.000 0.788 482 P CB 0.083 31.783 31.700 -0.001 0.000 1.072 483 D N -2.042 118.347 120.400 -0.017 0.000 2.808 483 D HA 0.223 4.863 4.640 -0.000 0.000 0.249 483 D C 1.240 177.507 176.300 -0.055 0.000 1.151 483 D CA -0.850 53.132 54.000 -0.029 0.000 1.089 483 D CB 0.296 41.078 40.800 -0.029 0.000 1.295 483 D HN -0.282 nan 8.370 nan 0.000 0.631 484 R N -0.020 120.440 120.500 -0.066 0.000 3.462 484 R HA -0.309 4.031 4.340 -0.000 0.000 0.574 484 R C 1.059 177.301 176.300 -0.096 0.000 0.274 484 R CA 2.413 58.459 56.100 -0.091 0.000 0.685 484 R CB -1.274 28.946 30.300 -0.134 0.000 0.616 484 R HN 0.513 nan 8.270 nan 0.000 0.317 485 K N 0.886 121.171 120.400 -0.192 0.000 2.373 485 K HA 0.190 4.510 4.320 -0.000 0.000 0.202 485 K C 0.763 177.364 176.600 0.001 0.000 1.025 485 K CA 0.562 56.774 56.287 -0.126 0.000 1.115 485 K CB 1.410 33.764 32.500 -0.244 0.000 0.858 485 K HN 0.750 nan 8.250 nan 0.000 0.525 486 G N 2.291 111.070 108.800 -0.036 0.000 2.147 486 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.244 486 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.244 486 G C -0.136 174.901 174.900 0.228 0.000 1.005 486 G CA 0.635 45.788 45.100 0.089 0.000 0.713 486 G HN 0.417 nan 8.290 nan 0.000 0.515 487 F N -2.727 117.264 119.950 0.068 0.000 2.741 487 F HA 0.883 5.410 4.527 -0.001 0.000 0.313 487 F C -0.657 175.214 175.800 0.117 0.000 1.153 487 F CA -1.993 56.071 58.000 0.108 0.000 0.931 487 F CB 0.867 39.963 39.000 0.159 0.000 1.335 487 F HN 0.045 nan 8.300 nan 0.000 0.460 488 R N 1.855 122.552 120.500 0.329 0.000 2.686 488 R HA 0.466 4.806 4.340 -0.000 0.000 0.286 488 R C -1.401 175.126 176.300 0.377 0.000 0.969 488 R CA -0.923 55.322 56.100 0.243 0.000 0.898 488 R CB 2.569 32.920 30.300 0.085 0.000 1.183 488 R HN 0.940 nan 8.270 nan 0.000 0.456 489 L N 4.547 125.916 121.223 0.243 0.000 2.313 489 L HA 0.308 4.648 4.340 -0.000 0.000 0.282 489 L C -0.606 176.192 176.870 -0.121 0.000 1.092 489 L CA -0.275 54.443 54.840 -0.204 0.000 0.831 489 L CB 0.374 42.341 42.059 -0.152 0.000 1.159 489 L HN 0.416 nan 8.230 nan 0.000 0.442 490 L N 6.497 127.620 121.223 -0.167 0.000 2.312 490 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 490 L C -0.482 176.349 176.870 -0.066 0.000 1.070 490 L CA -0.498 54.301 54.840 -0.069 0.000 0.805 490 L CB 1.508 43.546 42.059 -0.034 0.000 1.174 490 L HN 0.569 nan 8.230 nan 0.000 0.434 491 L N 2.712 123.946 121.223 0.018 0.000 2.385 491 L HA 0.557 4.897 4.340 -0.000 0.000 0.273 491 L C 0.328 177.283 176.870 0.142 0.000 0.990 491 L CA -0.659 54.239 54.840 0.097 0.000 0.821 491 L CB 2.019 44.142 42.059 0.106 0.000 1.279 491 L HN 0.728 nan 8.230 nan 0.000 0.412 492 A N 2.130 125.085 122.820 0.224 0.000 2.587 492 A HA 0.269 4.589 4.320 -0.000 0.000 0.233 492 A C 0.323 178.046 177.584 0.232 0.000 1.049 492 A CA 0.542 52.746 52.037 0.277 0.000 0.754 492 A CB 0.204 19.498 19.000 0.491 0.000 0.977 492 A HN 0.601 nan 8.150 nan 0.000 0.509 493 S N 3.554 119.370 115.700 0.194 0.000 2.609 493 S HA 0.556 5.025 4.470 -0.000 0.000 0.250 493 S C -2.258 172.420 174.600 0.130 0.000 1.112 493 S CA -0.992 57.287 58.200 0.131 0.000 1.102 493 S CB 1.218 64.468 63.200 0.083 0.000 1.124 493 S HN 0.369 nan 8.310 nan 0.000 0.460 494 P HA -0.104 nan 4.420 nan 0.000 0.216 494 P C 1.668 179.090 177.300 0.204 0.000 1.150 494 P CA 0.620 63.834 63.100 0.189 0.000 0.837 494 P CB 0.071 31.918 31.700 0.244 0.000 0.786 495 R N -0.004 120.573 120.500 0.128 0.000 2.112 495 R HA -0.198 4.141 4.340 -0.000 0.000 0.242 495 R C 2.363 178.718 176.300 0.092 0.000 1.137 495 R CA 2.428 58.586 56.100 0.097 0.000 0.944 495 R CB -1.063 29.260 30.300 0.039 0.000 0.857 495 R HN 0.143 nan 8.270 nan 0.000 0.435 496 S N -0.616 115.117 115.700 0.055 0.000 2.399 496 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 496 S C 2.192 176.772 174.600 -0.034 0.000 1.022 496 S CA 1.379 59.593 58.200 0.023 0.000 0.983 496 S CB -0.514 62.702 63.200 0.026 0.000 0.803 496 S HN 0.622 nan 8.310 nan 0.000 0.480 497 C N 0.182 119.428 119.300 -0.090 0.000 2.475 497 C HA 0.181 4.640 4.460 -0.000 0.000 0.279 497 C C 2.161 176.847 174.990 -0.507 0.000 1.322 497 C CA 0.394 59.190 59.018 -0.370 0.000 1.734 497 C CB -1.712 25.786 27.740 -0.404 0.000 2.005 497 C HN 0.740 nan 8.230 nan 0.000 0.495 498 Y N 1.292 121.468 120.300 -0.207 0.000 2.145 498 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 498 Y C 2.634 178.520 175.900 -0.022 0.000 1.145 498 Y CA 2.364 60.409 58.100 -0.092 0.000 1.148 498 Y CB -0.413 38.024 38.460 -0.039 0.000 0.981 498 Y HN 0.288 nan 8.280 nan 0.000 0.507 499 K N 0.455 120.929 120.400 0.123 0.000 2.044 499 K HA -0.240 4.080 4.320 -0.000 0.000 0.210 499 K C 2.147 178.791 176.600 0.074 0.000 1.049 499 K CA 1.592 57.930 56.287 0.086 0.000 0.927 499 K CB -0.559 31.975 32.500 0.057 0.000 0.713 499 K HN 0.322 nan 8.250 nan 0.000 0.443 500 L N 0.353 121.592 121.223 0.026 0.000 2.042 500 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 500 L C 2.178 179.194 176.870 0.245 0.000 1.076 500 L CA 1.675 56.560 54.840 0.074 0.000 0.749 500 L CB -0.362 41.695 42.059 -0.003 0.000 0.893 500 L HN 0.210 nan 8.230 nan 0.000 0.432 501 F N 0.127 120.055 119.950 -0.037 0.000 2.234 501 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 501 F C 2.717 178.516 175.800 -0.001 0.000 1.089 501 F CA 0.957 58.927 58.000 -0.049 0.000 1.343 501 F CB -1.080 37.855 39.000 -0.109 0.000 1.040 501 F HN 0.195 nan 8.300 nan 0.000 0.498 502 Q N 0.888 120.825 119.800 0.228 0.000 2.084 502 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 502 Q C 1.968 178.036 176.000 0.114 0.000 0.978 502 Q CA 1.939 57.834 55.803 0.153 0.000 0.844 502 Q CB -0.293 28.531 28.738 0.143 0.000 0.898 502 Q HN 0.450 nan 8.270 nan 0.000 0.426 503 E N -0.699 119.566 120.200 0.108 0.000 2.051 503 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 503 E C 2.083 178.738 176.600 0.090 0.000 0.991 503 E CA 1.167 57.618 56.400 0.084 0.000 0.799 503 E CB -0.046 29.696 29.700 0.070 0.000 0.748 503 E HN 0.264 nan 8.360 nan 0.000 0.449 504 Q N 0.589 120.445 119.800 0.095 0.000 2.062 504 Q HA -0.252 4.088 4.340 -0.000 0.000 0.209 504 Q C 1.995 178.077 176.000 0.137 0.000 0.996 504 Q CA 1.708 57.567 55.803 0.093 0.000 0.859 504 Q CB -0.426 28.317 28.738 0.010 0.000 0.920 504 Q HN 0.334 nan 8.270 nan 0.000 0.415 505 Q N -0.285 119.566 119.800 0.084 0.000 2.084 505 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 505 Q C 1.466 177.495 176.000 0.049 0.000 0.978 505 Q CA 1.283 57.121 55.803 0.058 0.000 0.844 505 Q CB 0.020 28.787 28.738 0.048 0.000 0.898 505 Q HN 0.360 nan 8.270 nan 0.000 0.426 506 N N 0.714 119.449 118.700 0.058 0.000 2.272 506 N HA -0.167 4.572 4.740 -0.000 0.000 0.185 506 N C 0.852 176.384 175.510 0.036 0.000 1.014 506 N CA 1.091 54.167 53.050 0.043 0.000 0.870 506 N CB -0.044 38.471 38.487 0.048 0.000 0.975 506 N HN 0.376 nan 8.380 nan 0.000 0.433 507 E N -0.758 119.483 120.200 0.068 0.000 2.479 507 E HA 0.140 4.489 4.350 -0.000 0.000 0.193 507 E C 0.332 176.901 176.600 -0.051 0.000 1.049 507 E CA 0.025 56.468 56.400 0.070 0.000 0.870 507 E CB 0.142 29.948 29.700 0.177 0.000 0.944 507 E HN 0.391 nan 8.360 nan 0.000 0.492 508 G N 1.025 109.775 108.800 -0.083 0.000 2.163 508 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.213 508 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.213 508 G C 0.123 174.850 174.900 -0.289 0.000 0.991 508 G CA 0.046 45.019 45.100 -0.212 0.000 0.653 508 G HN 0.421 nan 8.290 nan 0.000 0.518 509 H N 0.012 119.059 119.070 -0.037 0.000 2.524 509 H HA 0.420 4.976 4.556 -0.000 0.000 0.299 509 H C 2.155 177.436 175.328 -0.078 0.000 1.074 509 H CA 0.535 56.548 56.048 -0.058 0.000 1.115 509 H CB 0.495 30.215 29.762 -0.070 0.000 1.522 509 H HN 0.317 nan 8.280 nan 0.000 0.543 510 G N 0.495 109.299 108.800 0.008 0.000 2.448 510 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 510 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 510 G C 1.421 176.302 174.900 -0.033 0.000 1.127 510 G CA 0.580 45.670 45.100 -0.017 0.000 0.766 510 G HN 0.314 nan 8.290 nan 0.000 0.552 511 E N 0.302 120.488 120.200 -0.024 0.000 2.481 511 E HA 0.360 4.710 4.350 -0.000 0.000 0.195 511 E C 1.553 178.131 176.600 -0.037 0.000 1.047 511 E CA 0.157 56.542 56.400 -0.025 0.000 0.867 511 E CB 0.033 29.723 29.700 -0.017 0.000 0.858 511 E HN 0.405 nan 8.360 nan 0.000 0.513 512 A N 0.712 123.504 122.820 -0.047 0.000 2.540 512 A HA 0.114 4.434 4.320 -0.000 0.000 0.239 512 A C -0.218 177.284 177.584 -0.137 0.000 1.061 512 A CA 0.182 52.168 52.037 -0.086 0.000 0.758 512 A CB 0.027 18.958 19.000 -0.115 0.000 0.991 512 A HN 0.243 nan 8.150 nan 0.000 0.502 513 L N 3.173 124.327 121.223 -0.115 0.000 2.272 513 L HA 0.335 4.675 4.340 -0.000 0.000 0.289 513 L C 0.172 176.946 176.870 -0.159 0.000 1.032 513 L CA -0.366 54.417 54.840 -0.096 0.000 0.810 513 L CB 1.184 43.225 42.059 -0.031 0.000 1.205 513 L HN 0.676 nan 8.230 nan 0.000 0.422 514 L N 4.982 126.071 121.223 -0.223 0.000 2.380 514 L HA 0.234 4.574 4.340 -0.000 0.000 0.273 514 L C -0.121 176.553 176.870 -0.326 0.000 1.138 514 L CA 0.266 54.845 54.840 -0.434 0.000 0.832 514 L CB 0.258 41.950 42.059 -0.610 0.000 1.124 514 L HN 0.751 nan 8.230 nan 0.000 0.454 515 F N 0.782 120.753 119.950 0.034 0.000 2.681 515 F HA -0.189 4.337 4.527 -0.000 0.000 0.299 515 F C 0.651 176.405 175.800 -0.077 0.000 0.676 515 F CA 0.054 58.035 58.000 -0.031 0.000 1.496 515 F CB -1.404 37.574 39.000 -0.037 0.000 1.827 515 F HN 0.506 nan 8.300 nan 0.000 0.328 516 E N 1.213 121.457 120.200 0.074 0.000 2.366 516 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 516 E C 0.981 177.624 176.600 0.071 0.000 1.015 516 E CA 1.561 57.987 56.400 0.044 0.000 0.906 516 E CB 0.633 30.343 29.700 0.018 0.000 0.979 516 E HN 0.479 nan 8.360 nan 0.000 0.443 517 G N 4.068 112.866 108.800 -0.004 0.000 3.031 517 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.198 517 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.198 517 G C -0.187 174.581 174.900 -0.220 0.000 1.242 517 G CA -0.229 44.840 45.100 -0.052 0.000 0.878 517 G HN 0.559 nan 8.290 nan 0.000 0.493 518 I N 3.082 123.439 120.570 -0.356 0.000 2.416 518 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 518 I C 1.435 177.446 176.117 -0.177 0.000 1.051 518 I CA -0.517 60.572 61.300 -0.352 0.000 1.375 518 I CB 1.371 39.065 38.000 -0.510 0.000 1.407 518 I HN 0.372 nan 8.210 nan 0.000 0.516 519 K N 5.932 126.233 120.400 -0.165 0.000 2.366 519 K HA 0.110 4.430 4.320 -0.000 0.000 0.198 519 K C 0.143 176.687 176.600 -0.093 0.000 1.044 519 K CA 0.888 57.105 56.287 -0.118 0.000 0.973 519 K CB 0.071 32.497 32.500 -0.124 0.000 0.767 519 K HN 0.250 nan 8.250 nan 0.000 0.475 520 K N 1.392 121.739 120.400 -0.087 0.000 2.954 520 K HA 0.283 4.602 4.320 -0.000 0.000 0.171 520 K C -0.993 175.653 176.600 0.077 0.000 1.079 520 K CA -0.136 56.141 56.287 -0.017 0.000 0.908 520 K CB 0.904 33.376 32.500 -0.047 0.000 1.142 520 K HN -0.060 nan 8.250 nan 0.000 0.613 521 K N 0.928 121.335 120.400 0.012 0.000 2.542 521 K HA 0.220 4.540 4.320 -0.000 0.000 0.259 521 K C -1.052 175.525 176.600 -0.039 0.000 0.932 521 K CA -0.670 55.599 56.287 -0.029 0.000 0.820 521 K CB 2.683 35.107 32.500 -0.126 0.000 1.345 521 K HN 0.099 nan 8.250 nan 0.000 0.432 522 K N 3.015 123.390 120.400 -0.042 0.000 2.351 522 K HA 0.037 4.357 4.320 -0.000 0.000 0.287 522 K C -0.182 176.476 176.600 0.097 0.000 1.068 522 K CA 0.289 56.588 56.287 0.020 0.000 0.998 522 K CB 0.411 32.925 32.500 0.024 0.000 0.968 522 K HN 0.343 nan 8.250 nan 0.000 0.464 523 Q N 2.470 122.355 119.800 0.142 0.000 2.417 523 Q HA 0.104 4.444 4.340 -0.000 0.000 0.241 523 Q C -0.654 175.479 176.000 0.222 0.000 1.008 523 Q CA 0.281 56.233 55.803 0.249 0.000 0.901 523 Q CB 1.031 29.858 28.738 0.148 0.000 1.259 523 Q HN 0.522 nan 8.270 nan 0.000 0.489 524 Q N 0.498 120.434 119.800 0.226 0.000 2.309 524 Q HA 0.295 4.634 4.340 -0.000 0.000 0.273 524 Q C -1.529 174.507 176.000 0.061 0.000 1.040 524 Q CA -0.553 55.355 55.803 0.175 0.000 0.834 524 Q CB 2.078 30.997 28.738 0.301 0.000 1.345 524 Q HN 0.330 nan 8.270 nan 0.000 0.414 525 K N 2.465 122.886 120.400 0.036 0.000 2.174 525 K HA 0.297 4.617 4.320 -0.000 0.000 0.275 525 K C 0.974 177.537 176.600 -0.062 0.000 1.015 525 K CA -0.224 56.046 56.287 -0.028 0.000 0.933 525 K CB 1.139 33.635 32.500 -0.008 0.000 1.025 525 K HN 0.571 nan 8.250 nan 0.000 0.463 526 I N 2.175 122.646 120.570 -0.166 0.000 2.143 526 I HA -0.425 3.744 4.170 -0.000 0.000 0.245 526 I C 2.457 178.539 176.117 -0.059 0.000 1.068 526 I CA 1.647 62.815 61.300 -0.221 0.000 1.326 526 I CB -0.274 37.538 38.000 -0.315 0.000 1.028 526 I HN 0.700 nan 8.210 nan 0.000 0.412 527 K N 0.711 121.094 120.400 -0.028 0.000 2.074 527 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 527 K C 1.816 178.440 176.600 0.039 0.000 1.048 527 K CA 1.921 58.216 56.287 0.014 0.000 0.926 527 K CB -0.031 32.475 32.500 0.010 0.000 0.713 527 K HN 0.367 nan 8.250 nan 0.000 0.444 528 N N 0.354 119.079 118.700 0.041 0.000 2.333 528 N HA -0.055 4.685 4.740 -0.000 0.000 0.178 528 N C 1.871 177.435 175.510 0.089 0.000 1.018 528 N CA 0.831 53.920 53.050 0.066 0.000 0.882 528 N CB -0.066 38.466 38.487 0.074 0.000 0.984 528 N HN 0.184 nan 8.380 nan 0.000 0.434 529 I N 1.411 122.033 120.570 0.087 0.000 2.127 529 I HA -0.244 3.926 4.170 -0.000 0.000 0.241 529 I C 2.137 178.321 176.117 0.111 0.000 1.075 529 I CA 1.021 62.377 61.300 0.092 0.000 1.334 529 I CB -0.238 37.815 38.000 0.089 0.000 1.040 529 I HN 0.020 nan 8.210 nan 0.000 0.405 530 L N 0.132 121.432 121.223 0.129 0.000 2.083 530 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 530 L C 2.571 179.540 176.870 0.165 0.000 1.083 530 L CA 1.689 56.651 54.840 0.203 0.000 0.752 530 L CB -0.699 41.466 42.059 0.177 0.000 0.899 530 L HN 0.391 nan 8.230 nan 0.000 0.433 531 S N -1.358 114.406 115.700 0.108 0.000 2.562 531 S HA -0.049 4.421 4.470 -0.000 0.000 0.221 531 S C 0.998 175.642 174.600 0.072 0.000 0.975 531 S CA -0.198 58.050 58.200 0.079 0.000 0.918 531 S CB -0.507 62.729 63.200 0.059 0.000 0.772 531 S HN 0.355 nan 8.310 nan 0.000 0.531 532 N N 2.444 121.196 118.700 0.087 0.000 2.416 532 N HA 0.150 4.889 4.740 -0.000 0.000 0.265 532 N C 0.507 176.045 175.510 0.047 0.000 1.195 532 N CA 0.109 53.199 53.050 0.067 0.000 0.943 532 N CB 0.674 39.209 38.487 0.081 0.000 1.115 532 N HN 0.369 nan 8.380 nan 0.000 0.481 533 K N 1.292 121.702 120.400 0.017 0.000 2.296 533 K HA -0.043 4.277 4.320 -0.000 0.000 0.200 533 K C 1.394 177.966 176.600 -0.046 0.000 1.048 533 K CA 1.355 57.638 56.287 -0.007 0.000 0.966 533 K CB 0.251 32.746 32.500 -0.007 0.000 0.754 533 K HN 0.654 nan 8.250 nan 0.000 0.466 534 T N -0.346 114.158 114.554 -0.084 0.000 3.009 534 T HA -0.024 4.325 4.350 -0.000 0.000 0.258 534 T C 1.841 176.311 174.700 -0.383 0.000 1.063 534 T CA 0.112 62.084 62.100 -0.213 0.000 1.139 534 T CB -0.159 68.592 68.868 -0.195 0.000 0.890 534 T HN -0.017 nan 8.240 nan 0.000 0.471 535 L N 1.609 122.722 121.223 -0.183 0.000 2.042 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.210 535 L C 2.742 179.642 176.870 0.050 0.000 1.076 535 L CA 1.712 56.514 54.840 -0.064 0.000 0.749 535 L CB -0.708 41.358 42.059 0.012 0.000 0.893 535 L HN 0.176 nan 8.230 nan 0.000 0.432 536 R N -0.669 119.863 120.500 0.052 0.000 2.120 536 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 536 R C 2.122 178.410 176.300 -0.020 0.000 1.123 536 R CA 1.612 57.712 56.100 -0.001 0.000 0.975 536 R CB -0.113 30.133 30.300 -0.091 0.000 0.866 536 R HN 0.544 nan 8.270 nan 0.000 0.446 537 E N -0.902 119.295 120.200 -0.004 0.000 2.047 537 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 537 E C 1.937 178.661 176.600 0.206 0.000 0.987 537 E CA 1.165 57.599 56.400 0.056 0.000 0.799 537 E CB -0.124 29.599 29.700 0.037 0.000 0.752 537 E HN 0.435 nan 8.360 nan 0.000 0.449 538 H N 1.076 120.202 119.070 0.093 0.000 2.265 538 H HA -0.119 4.437 4.556 -0.000 0.000 0.293 538 H C 1.874 177.309 175.328 0.178 0.000 1.089 538 H CA 1.335 57.474 56.048 0.152 0.000 1.244 538 H CB -0.599 29.261 29.762 0.162 0.000 1.355 538 H HN 0.160 nan 8.280 nan 0.000 0.485 539 N N 0.362 119.241 118.700 0.298 0.000 2.364 539 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 539 N C 1.849 177.408 175.510 0.082 0.000 1.022 539 N CA 0.906 54.083 53.050 0.213 0.000 0.883 539 N CB -0.046 38.617 38.487 0.293 0.000 0.965 539 N HN 0.220 nan 8.380 nan 0.000 0.438 540 S N 0.624 116.358 115.700 0.056 0.000 2.383 540 S HA -0.074 4.395 4.470 -0.000 0.000 0.227 540 S C 1.597 176.202 174.600 0.009 0.000 1.026 540 S CA 0.499 58.699 58.200 0.001 0.000 0.981 540 S CB -0.253 62.948 63.200 0.001 0.000 0.818 540 S HN 0.409 nan 8.310 nan 0.000 0.472 541 F N 2.142 122.052 119.950 -0.066 0.000 2.146 541 F HA -0.094 4.433 4.527 0.000 0.000 0.298 541 F C 2.048 177.692 175.800 -0.260 0.000 1.096 541 F CA 0.930 58.858 58.000 -0.120 0.000 1.275 541 F CB -0.280 38.680 39.000 -0.067 0.000 1.008 541 F HN -0.059 nan 8.300 nan 0.000 0.480 542 V N 0.837 120.539 119.914 -0.354 0.000 2.295 542 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 542 V C 2.374 178.026 176.094 -0.736 0.000 1.049 542 V CA 2.294 64.170 62.300 -0.707 0.000 1.024 542 V CB -0.829 30.772 31.823 -0.370 0.000 0.648 542 V HN 0.472 nan 8.190 nan 0.000 0.447 543 E N 0.260 120.236 120.200 -0.374 0.000 2.097 543 E HA -0.327 4.023 4.350 -0.000 0.000 0.196 543 E C 2.398 178.792 176.600 -0.345 0.000 1.000 543 E CA 1.910 58.143 56.400 -0.278 0.000 0.804 543 E CB -0.146 29.474 29.700 -0.133 0.000 0.740 543 E HN 0.470 nan 8.360 nan 0.000 0.454 544 R N -0.424 119.848 120.500 -0.381 0.000 2.081 544 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 544 R C 2.411 178.451 176.300 -0.433 0.000 1.131 544 R CA 1.803 57.703 56.100 -0.334 0.000 0.960 544 R CB -0.321 29.792 30.300 -0.312 0.000 0.856 544 R HN 0.325 nan 8.270 nan 0.000 0.436 545 C N -0.228 118.565 119.300 -0.845 0.000 2.457 545 C HA 0.023 4.482 4.460 -0.000 0.000 0.278 545 C C 2.420 176.893 174.990 -0.860 0.000 1.309 545 C CA 0.309 58.677 59.018 -1.082 0.000 1.735 545 C CB -0.656 25.688 27.740 -2.326 0.000 1.992 545 C HN 0.500 nan 8.230 nan 0.000 0.493 546 I N 1.125 121.188 120.570 -0.846 0.000 2.233 546 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 546 I C 2.119 178.089 176.117 -0.245 0.000 1.093 546 I CA 1.425 62.406 61.300 -0.533 0.000 1.380 546 I CB -0.636 37.141 38.000 -0.373 0.000 1.067 546 I HN 0.257 nan 8.210 nan 0.000 0.413 547 D N 0.494 120.777 120.400 -0.195 0.000 2.158 547 D HA -0.254 4.385 4.640 -0.000 0.000 0.197 547 D C 1.711 177.992 176.300 -0.031 0.000 0.995 547 D CA 1.097 55.044 54.000 -0.089 0.000 0.846 547 D CB -0.405 40.349 40.800 -0.077 0.000 0.941 547 D HN 0.509 nan 8.370 nan 0.000 0.456 548 W N 2.020 123.211 121.300 -0.181 0.000 2.333 548 W HA -0.180 4.481 4.660 0.001 0.000 0.316 548 W C 1.692 178.175 176.519 -0.060 0.000 1.215 548 W CA 1.061 58.339 57.345 -0.112 0.000 1.278 548 W CB -0.322 29.074 29.460 -0.107 0.000 1.154 548 W HN -0.036 nan 8.180 nan 0.000 0.486 549 N N 0.561 119.299 118.700 0.063 0.000 2.120 549 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 549 N C 1.960 177.479 175.510 0.015 0.000 1.024 549 N CA 1.455 54.540 53.050 0.058 0.000 0.852 549 N CB -0.776 37.795 38.487 0.139 0.000 1.003 549 N HN 0.266 nan 8.380 nan 0.000 0.424 550 R N 1.278 121.777 120.500 -0.002 0.000 2.113 550 R HA -0.160 4.180 4.340 -0.000 0.000 0.244 550 R C 1.481 177.748 176.300 -0.055 0.000 1.142 550 R CA 1.467 57.563 56.100 -0.006 0.000 0.953 550 R CB 0.075 30.361 30.300 -0.023 0.000 0.860 550 R HN 0.226 nan 8.270 nan 0.000 0.438 551 E N 0.209 120.329 120.200 -0.133 0.000 2.158 551 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 551 E C 1.983 178.452 176.600 -0.218 0.000 0.982 551 E CA 0.427 56.718 56.400 -0.182 0.000 0.823 551 E CB -0.154 29.394 29.700 -0.253 0.000 0.766 551 E HN 0.202 nan 8.360 nan 0.000 0.468 552 L N 0.826 121.883 121.223 -0.276 0.000 1.994 552 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 552 L C 2.395 179.205 176.870 -0.100 0.000 1.071 552 L CA 1.409 56.113 54.840 -0.227 0.000 0.745 552 L CB -0.886 41.046 42.059 -0.212 0.000 0.892 552 L HN 0.082 nan 8.230 nan 0.000 0.431 553 L N -0.990 120.211 121.223 -0.035 0.000 2.042 553 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 553 L C 2.505 179.383 176.870 0.014 0.000 1.076 553 L CA 1.407 56.259 54.840 0.019 0.000 0.749 553 L CB -0.547 41.558 42.059 0.075 0.000 0.893 553 L HN 0.218 nan 8.230 nan 0.000 0.432 554 K N -0.467 119.928 120.400 -0.009 0.000 2.044 554 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 554 K C 2.298 178.885 176.600 -0.021 0.000 1.049 554 K CA 1.642 57.925 56.287 -0.007 0.000 0.927 554 K CB -0.205 32.278 32.500 -0.029 0.000 0.713 554 K HN 0.175 nan 8.250 nan 0.000 0.443 555 R N 0.872 121.339 120.500 -0.056 0.000 2.061 555 R HA -0.117 4.222 4.340 -0.000 0.000 0.230 555 R C 1.827 178.101 176.300 -0.044 0.000 1.140 555 R CA 1.471 57.536 56.100 -0.057 0.000 0.940 555 R CB 0.096 30.341 30.300 -0.091 0.000 0.839 555 R HN 0.089 nan 8.270 nan 0.000 0.429 556 E N 0.105 120.268 120.200 -0.060 0.000 2.347 556 E HA -0.102 4.247 4.350 -0.000 0.000 0.196 556 E C 1.305 177.843 176.600 -0.104 0.000 1.008 556 E CA 0.642 56.992 56.400 -0.083 0.000 0.852 556 E CB 0.255 29.895 29.700 -0.099 0.000 0.783 556 E HN 0.239 nan 8.360 nan 0.000 0.505 557 L N -1.006 120.190 121.223 -0.045 0.000 2.817 557 L HA 0.292 4.632 4.340 -0.000 0.000 0.248 557 L C 1.021 177.921 176.870 0.050 0.000 1.133 557 L CA 0.696 55.523 54.840 -0.021 0.000 0.935 557 L CB 0.424 42.507 42.059 0.040 0.000 1.266 557 L HN 0.173 nan 8.230 nan 0.000 0.535 558 G N 0.621 109.448 108.800 0.044 0.000 2.182 558 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 558 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 558 G C 0.128 175.073 174.900 0.074 0.000 1.042 558 G CA 0.271 45.406 45.100 0.058 0.000 0.775 558 G HN 0.234 nan 8.290 nan 0.000 0.501 559 L N -0.077 121.193 121.223 0.079 0.000 2.334 559 L HA 0.743 5.083 4.340 -0.000 0.000 0.277 559 L C 0.905 177.798 176.870 0.038 0.000 1.075 559 L CA -0.385 54.508 54.840 0.089 0.000 0.804 559 L CB 1.542 43.680 42.059 0.131 0.000 1.174 559 L HN 0.336 nan 8.230 nan 0.000 0.438 560 A N 1.391 124.223 122.820 0.019 0.000 2.282 560 A HA 0.348 4.667 4.320 -0.000 0.000 0.319 560 A C 0.888 178.471 177.584 -0.002 0.000 1.121 560 A CA -0.526 51.511 52.037 0.001 0.000 0.836 560 A CB 0.772 19.766 19.000 -0.011 0.000 1.146 560 A HN 0.806 nan 8.150 nan 0.000 0.494 561 E N 0.758 120.954 120.200 -0.006 0.000 2.187 561 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 561 E C 2.151 178.743 176.600 -0.013 0.000 1.004 561 E CA 1.906 58.302 56.400 -0.006 0.000 0.813 561 E CB -0.359 29.336 29.700 -0.008 0.000 0.736 561 E HN 0.800 nan 8.360 nan 0.000 0.468 562 S N 0.599 116.286 115.700 -0.022 0.000 2.547 562 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 562 S C 1.184 175.748 174.600 -0.059 0.000 0.980 562 S CA 0.694 58.873 58.200 -0.035 0.000 0.941 562 S CB 0.066 63.243 63.200 -0.038 0.000 0.763 562 S HN 0.062 nan 8.310 nan 0.000 0.532 563 D N 1.124 121.489 120.400 -0.058 0.000 2.347 563 D HA 0.249 4.889 4.640 -0.000 0.000 0.213 563 D C 0.267 176.554 176.300 -0.022 0.000 0.985 563 D CA 0.448 54.395 54.000 -0.088 0.000 0.879 563 D CB 0.176 40.942 40.800 -0.057 0.000 0.919 563 D HN 0.488 nan 8.370 nan 0.000 0.526 564 I N 1.698 122.266 120.570 -0.002 0.000 2.433 564 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 564 I C -0.197 175.924 176.117 0.007 0.000 1.001 564 I CA -0.594 60.713 61.300 0.012 0.000 1.119 564 I CB 2.437 40.446 38.000 0.015 0.000 1.289 564 I HN -0.334 nan 8.210 nan 0.000 0.438 565 I N 4.771 125.347 120.570 0.011 0.000 2.362 565 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 565 I C -0.611 175.521 176.117 0.026 0.000 0.994 565 I CA -0.577 60.734 61.300 0.018 0.000 1.158 565 I CB 1.549 39.562 38.000 0.022 0.000 1.315 565 I HN 0.460 nan 8.210 nan 0.000 0.451 566 D N 6.514 126.933 120.400 0.032 0.000 2.308 566 D HA 0.328 4.968 4.640 -0.000 0.000 0.251 566 D C -0.058 176.275 176.300 0.056 0.000 1.127 566 D CA -0.031 53.997 54.000 0.046 0.000 0.876 566 D CB 2.164 42.988 40.800 0.041 0.000 1.176 566 D HN 0.157 nan 8.370 nan 0.000 0.446 567 I N 4.318 124.933 120.570 0.076 0.000 2.362 567 I HA 0.183 4.353 4.170 -0.000 0.000 0.289 567 I C -2.195 173.980 176.117 0.097 0.000 0.994 567 I CA -2.704 58.649 61.300 0.089 0.000 1.158 567 I CB 1.397 39.459 38.000 0.104 0.000 1.315 567 I HN -0.051 nan 8.210 nan 0.000 0.451 568 P HA 0.064 nan 4.420 nan 0.000 0.262 568 P C -0.669 176.721 177.300 0.150 0.000 1.199 568 P CA 0.098 63.237 63.100 0.066 0.000 0.763 568 P CB 0.679 32.382 31.700 0.006 0.000 0.790 569 Q N 3.188 123.032 119.800 0.073 0.000 2.313 569 Q HA 0.433 4.773 4.340 -0.000 0.000 0.255 569 Q C -1.906 173.941 176.000 -0.256 0.000 0.944 569 Q CA -0.479 55.246 55.803 -0.131 0.000 0.881 569 Q CB 0.866 29.540 28.738 -0.107 0.000 1.375 569 Q HN 0.125 nan 8.270 nan 0.000 0.422 570 L N 4.036 124.886 121.223 -0.623 0.000 2.360 570 L HA 0.664 5.003 4.340 -0.000 0.000 0.271 570 L C -0.724 175.853 176.870 -0.489 0.000 1.057 570 L CA 0.038 54.650 54.840 -0.380 0.000 0.803 570 L CB 0.739 42.585 42.059 -0.356 0.000 1.207 570 L HN 0.705 nan 8.230 nan 0.000 0.445 571 F N 1.062 121.024 119.950 0.020 0.000 2.631 571 F HA 0.666 5.193 4.527 -0.000 0.000 0.328 571 F C -0.159 175.796 175.800 0.258 0.000 1.067 571 F CA -0.835 57.252 58.000 0.146 0.000 0.969 571 F CB 1.715 40.815 39.000 0.166 0.000 1.332 571 F HN 0.341 nan 8.300 nan 0.000 0.490 572 K N 1.125 121.825 120.400 0.500 0.000 2.469 572 K HA 0.699 5.019 4.320 -0.000 0.000 0.254 572 K C -1.940 174.817 176.600 0.263 0.000 0.939 572 K CA -0.788 55.771 56.287 0.454 0.000 0.812 572 K CB 2.203 35.007 32.500 0.505 0.000 1.301 572 K HN 0.585 nan 8.250 nan 0.000 0.433 573 L N 2.143 123.404 121.223 0.063 0.000 2.350 573 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 573 L C -0.193 176.657 176.870 -0.034 0.000 1.099 573 L CA -0.538 54.223 54.840 -0.133 0.000 0.808 573 L CB 0.717 42.453 42.059 -0.539 0.000 1.149 573 L HN 0.641 nan 8.230 nan 0.000 0.442 574 K N 3.408 123.799 120.400 -0.014 0.000 2.587 574 K HA 0.214 4.534 4.320 -0.000 0.000 0.256 574 K C -1.479 175.111 176.600 -0.016 0.000 0.974 574 K CA -0.740 55.544 56.287 -0.005 0.000 0.855 574 K CB 2.016 34.522 32.500 0.009 0.000 1.292 574 K HN 0.617 nan 8.250 nan 0.000 0.444 575 E N 2.298 122.443 120.200 -0.092 0.000 6.582 575 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 575 E C -0.980 175.585 176.600 -0.059 0.000 1.234 575 E CA 0.686 56.961 56.400 -0.209 0.000 1.476 575 E CB -0.772 28.902 29.700 -0.045 0.000 0.955 575 E HN 0.727 nan 8.360 nan 0.000 0.300 576 F N -0.259 119.680 119.950 -0.019 0.000 2.953 576 F HA -0.307 4.220 4.527 -0.000 0.000 0.292 576 F C 1.074 176.851 175.800 -0.038 0.000 0.747 576 F CA 0.944 58.930 58.000 -0.025 0.000 1.222 576 F CB -2.312 36.678 39.000 -0.017 0.000 1.457 576 F HN 0.457 nan 8.300 nan 0.000 0.383 577 S N -1.714 113.998 115.700 0.019 0.000 3.561 577 S HA -0.213 4.257 4.470 -0.000 0.000 0.318 577 S C 0.390 175.004 174.600 0.023 0.000 1.181 577 S CA 1.059 59.228 58.200 -0.053 0.000 0.916 577 S CB -0.634 62.495 63.200 -0.119 0.000 0.966 577 S HN 0.440 nan 8.310 nan 0.000 0.550 578 K N 1.101 121.550 120.400 0.082 0.000 2.118 578 K HA 0.707 5.027 4.320 -0.000 0.000 0.267 578 K C 0.265 176.912 176.600 0.079 0.000 0.991 578 K CA -0.117 56.231 56.287 0.102 0.000 0.916 578 K CB 1.352 33.910 32.500 0.096 0.000 1.041 578 K HN 0.310 nan 8.250 nan 0.000 0.455 579 A N 3.032 125.909 122.820 0.094 0.000 2.301 579 A HA 0.377 4.697 4.320 -0.000 0.000 0.298 579 A C -0.319 177.318 177.584 0.088 0.000 1.185 579 A CA -0.391 51.733 52.037 0.145 0.000 0.830 579 A CB 0.357 19.496 19.000 0.232 0.000 1.112 579 A HN 0.713 nan 8.150 nan 0.000 0.508 580 E N 0.779 121.077 120.200 0.163 0.000 2.339 580 E HA 0.621 4.971 4.350 -0.000 0.000 0.262 580 E C -0.433 176.324 176.600 0.261 0.000 0.934 580 E CA -1.098 55.361 56.400 0.098 0.000 0.802 580 E CB 1.982 31.603 29.700 -0.132 0.000 1.275 580 E HN 0.771 nan 8.360 nan 0.000 0.427 581 A N 0.942 123.807 122.820 0.074 0.000 2.401 581 A HA 0.185 4.505 4.320 -0.000 0.000 0.259 581 A C -0.063 177.535 177.584 0.023 0.000 1.103 581 A CA -0.113 51.836 52.037 -0.147 0.000 0.789 581 A CB -0.106 18.806 19.000 -0.146 0.000 1.035 581 A HN 0.780 nan 8.150 nan 0.000 0.491 582 F N 2.338 122.161 119.950 -0.212 0.000 2.187 582 F HA 0.186 4.713 4.527 -0.000 0.000 0.295 582 F C 0.445 176.437 175.800 0.321 0.000 1.091 582 F CA 1.202 59.230 58.000 0.047 0.000 1.308 582 F CB 0.027 39.032 39.000 0.009 0.000 1.030 582 F HN 0.623 nan 8.300 nan 0.000 0.487 583 F N -1.294 118.897 119.950 0.401 0.000 2.598 583 F HA 0.665 5.192 4.527 -0.000 0.000 0.327 583 F C -2.861 172.907 175.800 -0.053 0.000 1.057 583 F CA -4.086 54.101 58.000 0.311 0.000 0.957 583 F CB -0.746 38.456 39.000 0.336 0.000 1.278 583 F HN -0.391 nan 8.300 nan 0.000 0.484 584 P HA -0.115 nan 4.420 nan 0.000 0.257 584 P C -0.499 176.870 177.300 0.114 0.000 1.162 584 P CA 0.457 63.419 63.100 -0.231 0.000 0.762 584 P CB 0.191 31.894 31.700 0.006 0.000 0.753 585 N N 3.825 122.563 118.700 0.062 0.000 2.410 585 N HA 0.025 4.765 4.740 -0.000 0.000 0.281 585 N C 1.078 176.660 175.510 0.120 0.000 1.241 585 N CA 0.385 53.453 53.050 0.030 0.000 0.998 585 N CB -0.081 38.435 38.487 0.047 0.000 1.376 585 N HN 0.379 nan 8.380 nan 0.000 0.490 586 M N 1.695 121.390 119.600 0.160 0.000 2.374 586 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 586 M C 1.801 178.184 176.300 0.138 0.000 1.067 586 M CA 0.710 56.124 55.300 0.191 0.000 1.103 586 M CB 0.124 32.873 32.600 0.248 0.000 1.402 586 M HN 0.316 nan 8.290 nan 0.000 0.444 587 V N 0.982 120.966 119.914 0.116 0.000 2.759 587 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 587 V C 1.148 177.265 176.094 0.039 0.000 1.080 587 V CA 1.194 63.541 62.300 0.078 0.000 1.101 587 V CB -0.550 31.326 31.823 0.089 0.000 0.698 587 V HN 0.443 nan 8.190 nan 0.000 0.477 588 N N 2.054 120.799 118.700 0.075 0.000 3.245 588 N HA 0.140 4.880 4.740 -0.000 0.000 0.296 588 N C -0.188 175.412 175.510 0.151 0.000 1.254 588 N CA -0.132 52.966 53.050 0.081 0.000 1.190 588 N CB -0.075 38.495 38.487 0.139 0.000 1.460 588 N HN 0.690 nan 8.380 nan 0.000 0.538 589 M N -0.108 119.557 119.600 0.108 0.000 2.644 589 M HA 0.437 4.917 4.480 -0.000 0.000 0.316 589 M C -0.975 175.451 176.300 0.210 0.000 1.200 589 M CA -1.093 54.283 55.300 0.128 0.000 0.944 589 M CB 1.795 34.432 32.600 0.061 0.000 1.691 589 M HN -0.083 nan 8.290 nan 0.000 0.471 590 L N 2.942 124.255 121.223 0.149 0.000 2.278 590 L HA 0.455 4.795 4.340 -0.000 0.000 0.287 590 L C -1.242 175.689 176.870 0.101 0.000 1.072 590 L CA -0.141 54.786 54.840 0.145 0.000 0.819 590 L CB 1.123 43.217 42.059 0.058 0.000 1.176 590 L HN 0.621 nan 8.230 nan 0.000 0.435 591 V N 7.224 127.217 119.914 0.132 0.000 2.318 591 V HA 0.285 4.404 4.120 -0.000 0.000 0.271 591 V C -0.214 175.931 176.094 0.085 0.000 1.030 591 V CA -0.412 61.947 62.300 0.098 0.000 0.844 591 V CB 0.989 32.880 31.823 0.112 0.000 1.015 591 V HN 0.456 nan 8.190 nan 0.000 0.460 592 L N 5.956 127.225 121.223 0.077 0.000 2.506 592 L HA 0.717 5.057 4.340 -0.000 0.000 0.247 592 L C 0.939 177.863 176.870 0.090 0.000 1.141 592 L CA 1.038 55.928 54.840 0.083 0.000 0.973 592 L CB 0.056 42.166 42.059 0.086 0.000 1.319 592 L HN 0.880 nan 8.230 nan 0.000 0.455 593 G N 2.112 110.941 108.800 0.048 0.000 2.561 593 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.289 593 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.289 593 G C 0.889 175.770 174.900 -0.033 0.000 1.169 593 G CA 0.248 45.353 45.100 0.008 0.000 0.980 593 G HN 0.361 nan 8.290 nan 0.000 0.550 594 K N 1.938 122.252 120.400 -0.144 0.000 2.444 594 K HA 0.241 4.561 4.320 -0.000 0.000 0.193 594 K C 0.626 177.061 176.600 -0.276 0.000 1.024 594 K CA 0.309 56.470 56.287 -0.210 0.000 1.077 594 K CB -0.041 32.296 32.500 -0.271 0.000 0.833 594 K HN 0.611 nan 8.250 nan 0.000 0.517 595 H N 0.698 119.758 119.070 -0.016 0.000 2.594 595 H HA 0.259 4.815 4.556 -0.000 0.000 0.304 595 H C -0.275 175.026 175.328 -0.046 0.000 1.068 595 H CA -0.439 55.587 56.048 -0.037 0.000 1.308 595 H CB 0.688 30.428 29.762 -0.037 0.000 1.409 595 H HN -0.085 nan 8.280 nan 0.000 0.460 596 L N 2.122 123.360 121.223 0.026 0.000 2.307 596 L HA 0.388 4.728 4.340 -0.000 0.000 0.284 596 L C 0.961 177.769 176.870 -0.103 0.000 1.023 596 L CA -0.946 53.871 54.840 -0.038 0.000 0.810 596 L CB 1.802 43.816 42.059 -0.075 0.000 1.231 596 L HN 0.638 nan 8.230 nan 0.000 0.423 597 G N 5.112 113.864 108.800 -0.079 0.000 2.607 597 G HA2 0.576 4.536 3.960 -0.000 0.000 0.332 597 G HA3 0.576 4.536 3.960 -0.000 0.000 0.332 597 G C -0.383 174.458 174.900 -0.099 0.000 1.046 597 G CA -0.283 44.745 45.100 -0.119 0.000 1.099 597 G HN 0.440 nan 8.290 nan 0.000 0.451 598 I N 3.348 123.806 120.570 -0.186 0.000 2.377 598 I HA 0.262 4.432 4.170 -0.000 0.000 0.293 598 I C -2.199 173.951 176.117 0.055 0.000 0.987 598 I CA -2.563 58.677 61.300 -0.100 0.000 1.185 598 I CB 2.735 40.557 38.000 -0.296 0.000 1.341 598 I HN 0.198 nan 8.210 nan 0.000 0.455 599 P HA -0.035 nan 4.420 nan 0.000 0.264 599 P C -0.659 176.809 177.300 0.279 0.000 1.193 599 P CA -0.126 63.104 63.100 0.217 0.000 0.763 599 P CB 0.397 32.229 31.700 0.219 0.000 0.810 600 K N 6.540 127.073 120.400 0.221 0.000 2.363 600 K HA 0.075 4.394 4.320 -0.000 0.000 0.289 600 K C -1.383 175.213 176.600 -0.006 0.000 1.063 600 K CA -1.486 54.813 56.287 0.021 0.000 0.967 600 K CB 0.369 32.718 32.500 -0.251 0.000 0.987 600 K HN 0.326 nan 8.250 nan 0.000 0.473 601 P HA -0.099 nan 4.420 nan 0.000 0.225 601 P C -0.403 176.959 177.300 0.103 0.000 1.156 601 P CA 0.429 63.549 63.100 0.033 0.000 0.787 601 P CB -0.041 31.523 31.700 -0.226 0.000 0.802 602 F N -0.736 119.175 119.950 -0.066 0.000 2.905 602 F HA -0.153 4.374 4.527 -0.000 0.000 0.291 602 F C 1.230 176.899 175.800 -0.219 0.000 1.002 602 F CA 0.133 58.080 58.000 -0.088 0.000 0.978 602 F CB -2.044 36.960 39.000 0.007 0.000 1.036 602 F HN 0.013 nan 8.300 nan 0.000 0.820 603 G N 0.090 108.761 108.800 -0.215 0.000 2.557 603 G HA2 0.604 4.564 3.960 -0.000 0.000 0.292 603 G HA3 0.604 4.564 3.960 -0.000 0.000 0.292 603 G C -2.595 172.163 174.900 -0.237 0.000 1.237 603 G CA -1.525 43.394 45.100 -0.302 0.000 0.978 603 G HN 0.007 nan 8.290 nan 0.000 0.498 604 P HA 0.103 nan 4.420 nan 0.000 0.261 604 P C -0.223 176.956 177.300 -0.201 0.000 1.183 604 P CA -0.138 62.805 63.100 -0.262 0.000 0.761 604 P CB 0.767 32.237 31.700 -0.383 0.000 0.785 605 V N 6.612 126.437 119.914 -0.148 0.000 2.372 605 V HA 0.148 4.268 4.120 -0.000 0.000 0.261 605 V C 0.518 176.533 176.094 -0.132 0.000 1.055 605 V CA 0.114 62.340 62.300 -0.125 0.000 0.930 605 V CB 0.059 31.835 31.823 -0.077 0.000 1.031 605 V HN 0.364 nan 8.190 nan 0.000 0.479 606 I N 4.226 124.689 120.570 -0.178 0.000 2.433 606 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 606 I C 0.642 176.663 176.117 -0.160 0.000 1.001 606 I CA -0.308 60.844 61.300 -0.246 0.000 1.119 606 I CB 1.238 38.960 38.000 -0.462 0.000 1.289 606 I HN 0.664 nan 8.210 nan 0.000 0.438 607 N N 4.846 123.491 118.700 -0.091 0.000 2.705 607 N HA -0.215 4.525 4.740 -0.000 0.000 0.255 607 N C 1.001 176.482 175.510 -0.049 0.000 1.008 607 N CA 0.897 53.920 53.050 -0.045 0.000 0.742 607 N CB -0.584 37.878 38.487 -0.043 0.000 0.906 607 N HN 1.190 nan 8.380 nan 0.000 0.541 608 G N -0.985 107.787 108.800 -0.047 0.000 2.184 608 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.264 608 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.264 608 G C 0.119 174.984 174.900 -0.059 0.000 0.975 608 G CA 0.705 45.780 45.100 -0.042 0.000 0.642 608 G HN 0.549 nan 8.290 nan 0.000 0.536 609 R N -0.778 119.672 120.500 -0.085 0.000 2.673 609 R HA 0.452 4.792 4.340 -0.000 0.000 0.281 609 R C 0.201 176.414 176.300 -0.144 0.000 0.991 609 R CA -0.244 55.790 56.100 -0.109 0.000 0.896 609 R CB 1.419 31.658 30.300 -0.102 0.000 1.201 609 R HN 0.457 nan 8.270 nan 0.000 0.457 610 C N 4.819 124.012 119.300 -0.179 0.000 2.517 610 C HA -0.013 4.447 4.460 -0.000 0.000 0.403 610 C C 2.318 177.178 174.990 -0.217 0.000 1.467 610 C CA -0.381 58.505 59.018 -0.221 0.000 1.542 610 C CB -1.467 26.093 27.740 -0.300 0.000 2.482 610 C HN 0.947 nan 8.230 nan 0.000 0.610 611 C N 4.552 123.744 119.300 -0.180 0.000 2.446 611 C HA -0.011 4.449 4.460 -0.000 0.000 0.279 611 C C 2.243 177.164 174.990 -0.114 0.000 1.366 611 C CA 0.526 59.465 59.018 -0.132 0.000 1.763 611 C CB -1.838 25.841 27.740 -0.102 0.000 1.929 611 C HN 0.920 nan 8.230 nan 0.000 0.509 612 L N 1.239 122.370 121.223 -0.153 0.000 1.994 612 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 612 L C 3.054 179.794 176.870 -0.217 0.000 1.071 612 L CA 2.025 56.762 54.840 -0.172 0.000 0.745 612 L CB -0.719 41.166 42.059 -0.290 0.000 0.892 612 L HN 0.364 nan 8.230 nan 0.000 0.431 613 E N -0.212 119.749 120.200 -0.398 0.000 2.085 613 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 613 E C 2.073 178.520 176.600 -0.255 0.000 0.994 613 E CA 1.515 57.531 56.400 -0.640 0.000 0.801 613 E CB -0.085 29.010 29.700 -1.007 0.000 0.743 613 E HN 0.460 nan 8.360 nan 0.000 0.453 614 E N 1.097 121.190 120.200 -0.178 0.000 2.077 614 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 614 E C 2.013 178.597 176.600 -0.027 0.000 0.989 614 E CA 1.342 57.696 56.400 -0.077 0.000 0.800 614 E CB 0.100 29.753 29.700 -0.079 0.000 0.746 614 E HN -0.100 nan 8.360 nan 0.000 0.452 615 K N 0.209 120.589 120.400 -0.033 0.000 2.026 615 K HA -0.106 4.213 4.320 -0.000 0.000 0.208 615 K C 1.934 178.555 176.600 0.035 0.000 1.048 615 K CA 1.444 57.731 56.287 0.001 0.000 0.929 615 K CB -0.583 31.915 32.500 -0.003 0.000 0.713 615 K HN 0.077 nan 8.250 nan 0.000 0.439 616 V N 0.129 120.079 119.914 0.059 0.000 2.343 616 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 616 V C 2.462 178.637 176.094 0.135 0.000 1.051 616 V CA 1.957 64.335 62.300 0.129 0.000 1.036 616 V CB -0.516 31.453 31.823 0.242 0.000 0.654 616 V HN 0.474 nan 8.190 nan 0.000 0.451 617 C N 0.319 119.710 119.300 0.151 0.000 2.429 617 C HA -0.134 4.325 4.460 -0.000 0.000 0.277 617 C C 3.273 178.303 174.990 0.067 0.000 1.262 617 C CA 1.466 60.559 59.018 0.125 0.000 1.733 617 C CB -1.104 26.713 27.740 0.129 0.000 2.010 617 C HN 0.759 nan 8.230 nan 0.000 0.483 618 S N 0.312 116.041 115.700 0.048 0.000 2.442 618 S HA -0.052 4.418 4.470 -0.000 0.000 0.236 618 S C 1.568 176.187 174.600 0.030 0.000 1.007 618 S CA 1.351 59.569 58.200 0.031 0.000 0.965 618 S CB -0.492 62.720 63.200 0.019 0.000 0.773 618 S HN 0.671 nan 8.310 nan 0.000 0.504 619 L N -0.308 120.939 121.223 0.040 0.000 2.253 619 L HA 0.294 4.634 4.340 -0.000 0.000 0.205 619 L C 2.228 179.118 176.870 0.033 0.000 1.078 619 L CA 0.608 55.469 54.840 0.035 0.000 0.805 619 L CB -0.169 41.916 42.059 0.042 0.000 0.963 619 L HN 0.305 nan 8.230 nan 0.000 0.459 620 L N -1.437 119.811 121.223 0.041 0.000 2.470 620 L HA 0.069 4.409 4.340 -0.000 0.000 0.219 620 L C 2.145 179.028 176.870 0.021 0.000 1.071 620 L CA 0.226 55.085 54.840 0.032 0.000 0.850 620 L CB -0.112 41.969 42.059 0.036 0.000 1.040 620 L HN 0.150 nan 8.230 nan 0.000 0.475 621 E N 0.956 121.172 120.200 0.026 0.000 2.077 621 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 621 E C -0.675 175.931 176.600 0.009 0.000 0.989 621 E CA 1.118 57.528 56.400 0.017 0.000 0.800 621 E CB -0.752 28.963 29.700 0.025 0.000 0.746 621 E HN 0.388 nan 8.360 nan 0.000 0.452 622 P HA -0.159 nan 4.420 nan 0.000 0.220 622 P C 0.840 178.141 177.300 0.002 0.000 1.144 622 P CA 1.106 64.210 63.100 0.006 0.000 0.800 622 P CB 0.033 31.737 31.700 0.007 0.000 0.772 623 L N -2.856 118.368 121.223 0.003 0.000 2.591 623 L HA 0.241 4.580 4.340 -0.000 0.000 0.228 623 L C 1.293 178.160 176.870 -0.006 0.000 1.133 623 L CA 0.582 55.422 54.840 0.001 0.000 0.880 623 L CB -0.893 41.171 42.059 0.008 0.000 1.033 623 L HN 0.101 nan 8.230 nan 0.000 0.450 624 G N 0.591 109.385 108.800 -0.010 0.000 2.171 624 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.238 624 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.238 624 G C -0.192 174.683 174.900 -0.042 0.000 1.039 624 G CA -0.400 44.686 45.100 -0.023 0.000 0.759 624 G HN 0.055 nan 8.290 nan 0.000 0.501 625 L N -0.166 121.038 121.223 -0.032 0.000 2.343 625 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 625 L C 0.543 177.388 176.870 -0.042 0.000 1.056 625 L CA -0.599 54.213 54.840 -0.048 0.000 0.804 625 L CB 1.597 43.643 42.059 -0.023 0.000 1.203 625 L HN 0.408 nan 8.230 nan 0.000 0.440 626 Q N 1.192 120.957 119.800 -0.058 0.000 2.347 626 Q HA 0.367 4.707 4.340 -0.000 0.000 0.262 626 Q C -1.421 174.554 176.000 -0.043 0.000 0.980 626 Q CA -0.442 55.351 55.803 -0.017 0.000 0.867 626 Q CB 1.320 30.086 28.738 0.047 0.000 1.242 626 Q HN 0.702 nan 8.270 nan 0.000 0.453 627 C N 3.625 122.874 119.300 -0.085 0.000 2.255 627 C HA 0.504 4.964 4.460 -0.000 0.000 0.326 627 C C 0.039 174.811 174.990 -0.363 0.000 1.258 627 C CA -0.541 58.308 59.018 -0.283 0.000 1.676 627 C CB 0.271 27.836 27.740 -0.292 0.000 2.314 627 C HN 0.685 nan 8.230 nan 0.000 0.509 628 T N 3.589 117.894 114.554 -0.415 0.000 2.794 628 T HA 0.495 4.845 4.350 -0.000 0.000 0.280 628 T C -0.577 173.809 174.700 -0.524 0.000 0.987 628 T CA -0.108 61.803 62.100 -0.315 0.000 0.993 628 T CB 0.500 69.272 68.868 -0.160 0.000 0.939 628 T HN 0.369 nan 8.240 nan 0.000 0.449 629 F N 2.855 122.780 119.950 -0.041 0.000 2.391 629 F HA 0.507 5.034 4.527 -0.000 0.000 0.359 629 F C 0.424 176.192 175.800 -0.054 0.000 1.122 629 F CA -1.009 56.957 58.000 -0.056 0.000 1.120 629 F CB 0.567 39.509 39.000 -0.096 0.000 1.142 629 F HN 0.328 nan 8.300 nan 0.000 0.483 630 I N 3.203 123.820 120.570 0.078 0.000 2.354 630 I HA 0.198 4.368 4.170 -0.000 0.000 0.292 630 I C -0.018 176.208 176.117 0.182 0.000 0.989 630 I CA -0.964 60.373 61.300 0.062 0.000 1.188 630 I CB 1.254 39.212 38.000 -0.071 0.000 1.342 630 I HN 0.467 nan 8.210 nan 0.000 0.457 631 N N 5.963 124.809 118.700 0.244 0.000 2.406 631 N HA -0.028 4.712 4.740 -0.000 0.000 0.265 631 N C -0.064 175.746 175.510 0.500 0.000 1.203 631 N CA 0.067 53.374 53.050 0.428 0.000 0.945 631 N CB 0.467 39.233 38.487 0.464 0.000 1.165 631 N HN 0.587 nan 8.380 nan 0.000 0.485 632 D N 2.851 123.580 120.400 0.549 0.000 2.535 632 D HA -0.022 4.618 4.640 -0.000 0.000 0.229 632 D C 0.969 177.604 176.300 0.559 0.000 1.238 632 D CA -0.397 53.958 54.000 0.590 0.000 0.824 632 D CB -0.766 40.324 40.800 0.483 0.000 1.045 632 D HN 0.373 nan 8.370 nan 0.000 0.500 633 F N 0.518 120.730 119.950 0.436 0.000 2.098 633 F HA 0.174 4.701 4.527 -0.000 0.000 0.294 633 F C 0.963 176.848 175.800 0.142 0.000 1.107 633 F CA 0.994 59.198 58.000 0.339 0.000 1.234 633 F CB 0.035 39.222 39.000 0.312 0.000 1.002 633 F HN -0.136 nan 8.300 nan 0.000 0.472 634 F N -0.252 119.954 119.950 0.427 0.000 2.898 634 F HA 0.186 4.713 4.527 -0.000 0.000 0.290 634 F C 1.095 176.955 175.800 0.101 0.000 1.195 634 F CA 0.229 58.372 58.000 0.237 0.000 1.387 634 F CB 0.158 39.289 39.000 0.219 0.000 0.976 634 F HN -0.095 nan 8.300 nan 0.000 0.510 635 T N -2.795 111.845 114.554 0.144 0.000 3.417 635 T HA 0.047 4.397 4.350 -0.000 0.000 0.279 635 T C 0.815 175.283 174.700 -0.386 0.000 0.918 635 T CA 0.335 62.365 62.100 -0.116 0.000 1.005 635 T CB -0.052 68.747 68.868 -0.115 0.000 1.212 635 T HN 0.042 nan 8.240 nan 0.000 0.510 636 Y N 0.154 120.448 120.300 -0.010 0.000 2.447 636 Y HA 0.283 4.832 4.550 -0.000 0.000 0.286 636 Y C 2.375 178.407 175.900 0.220 0.000 1.153 636 Y CA 0.719 58.882 58.100 0.106 0.000 1.241 636 Y CB -0.601 37.928 38.460 0.115 0.000 1.284 636 Y HN 0.242 nan 8.280 nan 0.000 0.520 637 H N 1.370 120.539 119.070 0.165 0.000 2.319 637 H HA -0.181 4.375 4.556 -0.000 0.000 0.297 637 H C 1.910 177.138 175.328 -0.168 0.000 1.097 637 H CA 2.481 58.495 56.048 -0.057 0.000 1.285 637 H CB -0.554 29.022 29.762 -0.310 0.000 1.368 637 H HN 0.430 nan 8.280 nan 0.000 0.495 638 I N -1.807 118.517 120.570 -0.409 0.000 2.756 638 I HA -0.028 4.142 4.170 -0.000 0.000 0.262 638 I C 1.107 177.174 176.117 -0.084 0.000 1.225 638 I CA 1.133 62.186 61.300 -0.412 0.000 1.472 638 I CB -0.157 37.553 38.000 -0.483 0.000 1.094 638 I HN 0.013 nan 8.210 nan 0.000 0.454 639 R N 0.159 120.687 120.500 0.046 0.000 2.586 639 R HA 0.162 4.502 4.340 -0.000 0.000 0.306 639 R C -0.501 175.930 176.300 0.218 0.000 1.079 639 R CA -0.233 55.952 56.100 0.141 0.000 1.083 639 R CB -0.270 30.155 30.300 0.208 0.000 1.306 639 R HN 0.382 nan 8.270 nan 0.000 0.567 640 H N -2.749 116.251 119.070 -0.117 0.000 2.999 640 H HA -0.126 4.430 4.556 -0.000 0.000 0.262 640 H C 0.232 175.421 175.328 -0.231 0.000 1.240 640 H CA 0.724 56.651 56.048 -0.201 0.000 1.115 640 H CB -1.731 27.891 29.762 -0.234 0.000 1.274 640 H HN 0.540 nan 8.280 nan 0.000 0.358 641 G N -1.767 107.081 108.800 0.080 0.000 2.645 641 G HA2 0.636 4.596 3.960 -0.000 0.000 0.292 641 G HA3 0.636 4.596 3.960 -0.000 0.000 0.292 641 G C -1.016 174.172 174.900 0.481 0.000 1.415 641 G CA -0.543 44.629 45.100 0.120 0.000 0.785 641 G HN 0.050 nan 8.290 nan 0.000 0.483 642 E N -1.835 118.652 120.200 0.478 0.000 2.431 642 E HA 0.567 4.917 4.350 -0.000 0.000 0.240 642 E C 1.529 178.312 176.600 0.304 0.000 0.867 642 E CA -0.573 56.056 56.400 0.383 0.000 0.888 642 E CB 0.957 30.826 29.700 0.281 0.000 1.739 642 E HN 0.149 nan 8.360 nan 0.000 0.413 643 V N 1.045 121.101 119.914 0.237 0.000 2.307 643 V HA -0.228 3.891 4.120 -0.000 0.000 0.245 643 V C 2.235 178.468 176.094 0.232 0.000 1.045 643 V CA 2.147 64.571 62.300 0.207 0.000 1.024 643 V CB -0.635 31.261 31.823 0.121 0.000 0.651 643 V HN 0.602 nan 8.190 nan 0.000 0.449 644 H N -0.089 119.080 119.070 0.166 0.000 2.319 644 H HA -0.220 4.336 4.556 -0.000 0.000 0.299 644 H C 2.364 177.833 175.328 0.235 0.000 1.092 644 H CA 2.404 58.556 56.048 0.173 0.000 1.302 644 H CB -0.078 29.772 29.762 0.147 0.000 1.373 644 H HN 0.496 nan 8.280 nan 0.000 0.497 645 C N 0.102 119.640 119.300 0.396 0.000 2.411 645 C HA -0.075 4.385 4.460 -0.000 0.000 0.279 645 C C 2.805 178.129 174.990 0.557 0.000 1.288 645 C CA 0.930 60.228 59.018 0.467 0.000 1.764 645 C CB -1.408 26.634 27.740 0.503 0.000 1.974 645 C HN 0.685 nan 8.230 nan 0.000 0.498 646 G N -0.085 108.959 108.800 0.407 0.000 2.985 646 G HA2 0.249 4.209 3.960 -0.000 0.000 0.209 646 G HA3 0.249 4.209 3.960 -0.000 0.000 0.209 646 G C 0.587 175.610 174.900 0.205 0.000 1.165 646 G CA 1.154 46.409 45.100 0.259 0.000 0.776 646 G HN 0.633 nan 8.290 nan 0.000 0.541 647 T N -2.965 111.689 114.554 0.167 0.000 2.887 647 T HA 0.654 5.004 4.350 -0.000 0.000 0.292 647 T C -1.190 173.555 174.700 0.074 0.000 1.087 647 T CA -1.045 61.133 62.100 0.130 0.000 1.009 647 T CB 3.004 71.936 68.868 0.108 0.000 1.203 647 T HN -0.071 nan 8.240 nan 0.000 0.518 648 N N -0.686 118.115 118.700 0.168 0.000 2.494 648 N HA 0.633 5.372 4.740 -0.000 0.000 0.270 648 N C -1.989 173.746 175.510 0.376 0.000 1.285 648 N CA -0.459 52.707 53.050 0.194 0.000 0.812 648 N CB 2.587 41.161 38.487 0.145 0.000 1.557 648 N HN 0.661 nan 8.380 nan 0.000 0.487 649 V N 1.510 121.613 119.914 0.315 0.000 2.623 649 V HA 0.482 4.602 4.120 -0.000 0.000 0.304 649 V C -0.009 176.278 176.094 0.322 0.000 1.054 649 V CA -0.863 61.616 62.300 0.298 0.000 0.882 649 V CB 1.975 33.894 31.823 0.161 0.000 1.002 649 V HN 0.609 nan 8.190 nan 0.000 0.424 650 R N 4.205 124.929 120.500 0.373 0.000 2.297 650 R HA 0.684 5.024 4.340 -0.000 0.000 0.308 650 R C -0.378 175.998 176.300 0.126 0.000 1.029 650 R CA -0.395 55.875 56.100 0.283 0.000 0.929 650 R CB 0.902 31.423 30.300 0.369 0.000 1.046 650 R HN 0.773 nan 8.270 nan 0.000 0.461 651 R N 2.567 123.101 120.500 0.056 0.000 2.912 651 R HA 0.272 4.612 4.340 -0.000 0.000 0.262 651 R C -0.980 175.256 176.300 -0.107 0.000 1.057 651 R CA -1.166 54.919 56.100 -0.026 0.000 0.981 651 R CB 1.505 31.774 30.300 -0.051 0.000 1.201 651 R HN 0.456 nan 8.270 nan 0.000 0.484 652 K N 2.102 122.408 120.400 -0.156 0.000 2.379 652 K HA 0.164 4.484 4.320 -0.000 0.000 0.284 652 K C -2.265 174.105 176.600 -0.383 0.000 1.044 652 K CA -1.353 54.802 56.287 -0.221 0.000 0.974 652 K CB 0.589 32.987 32.500 -0.170 0.000 0.962 652 K HN 0.143 nan 8.250 nan 0.000 0.474 653 P HA -0.044 nan 4.420 nan 0.000 0.269 653 P C -0.747 176.236 177.300 -0.527 0.000 1.215 653 P CA 0.065 62.595 63.100 -0.951 0.000 0.780 653 P CB 0.314 31.183 31.700 -1.385 0.000 0.898 654 F N 0.210 120.019 119.950 -0.235 0.000 2.506 654 F HA -0.000 4.527 4.527 0.001 0.000 0.351 654 F C 1.997 177.780 175.800 -0.028 0.000 1.136 654 F CA 0.762 58.745 58.000 -0.028 0.000 1.298 654 F CB -0.018 39.049 39.000 0.111 0.000 1.145 654 F HN 0.279 nan 8.300 nan 0.000 0.593 655 S N 1.875 117.695 115.700 0.200 0.000 2.436 655 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 655 S C 0.398 175.063 174.600 0.109 0.000 1.014 655 S CA -0.002 58.261 58.200 0.104 0.000 0.950 655 S CB -0.283 62.961 63.200 0.073 0.000 0.784 655 S HN 0.468 nan 8.310 nan 0.000 0.504 656 F N 3.512 123.484 119.950 0.036 0.000 2.529 656 F HA 0.170 4.695 4.527 -0.002 0.000 0.365 656 F C 0.193 175.899 175.800 -0.158 0.000 1.102 656 F CA -0.411 57.545 58.000 -0.073 0.000 1.271 656 F CB 0.499 39.449 39.000 -0.085 0.000 1.120 656 F HN -0.235 nan 8.300 nan 0.000 0.579 657 K N 8.366 128.292 120.400 -0.789 0.000 2.276 657 K HA -0.024 4.296 4.320 -0.000 0.000 0.285 657 K C 0.970 177.018 176.600 -0.919 0.000 1.062 657 K CA -0.391 55.248 56.287 -1.079 0.000 0.918 657 K CB 0.477 31.852 32.500 -1.874 0.000 1.055 657 K HN 0.881 nan 8.250 nan 0.000 0.477 658 W N 3.328 124.426 121.300 -0.337 0.000 2.350 658 W HA -0.212 4.448 4.660 0.000 0.000 0.289 658 W C 0.982 177.674 176.519 0.289 0.000 1.215 658 W CA 0.701 58.114 57.345 0.113 0.000 1.236 658 W CB -0.935 28.639 29.460 0.190 0.000 1.130 658 W HN 0.748 nan 8.180 nan 0.000 0.541 659 W N 2.150 123.059 121.300 -0.652 0.000 2.595 659 W HA 0.108 4.767 4.660 -0.002 0.000 0.257 659 W C 1.184 177.684 176.519 -0.032 0.000 1.267 659 W CA 0.869 57.889 57.345 -0.542 0.000 1.300 659 W CB -1.767 27.055 29.460 -1.064 0.000 1.120 659 W HN -0.291 nan 8.180 nan 0.000 0.618 660 N N 0.856 119.380 118.700 -0.293 0.000 2.461 660 N HA 0.018 4.758 4.740 -0.000 0.000 0.188 660 N C 0.304 175.952 175.510 0.229 0.000 1.134 660 N CA 0.392 53.365 53.050 -0.129 0.000 0.878 660 N CB -0.302 37.825 38.487 -0.600 0.000 0.972 660 N HN 0.316 nan 8.380 nan 0.000 0.456 661 M N 0.590 120.471 119.600 0.468 0.000 2.255 661 M HA 0.148 4.628 4.480 -0.000 0.000 0.336 661 M C -0.614 175.876 176.300 0.317 0.000 1.135 661 M CA -0.204 55.336 55.300 0.399 0.000 1.145 661 M CB 1.044 33.842 32.600 0.330 0.000 1.473 661 M HN -0.302 nan 8.290 nan 0.000 0.462 662 V N 5.292 125.251 119.914 0.075 0.000 2.250 662 V HA 0.338 4.458 4.120 -0.000 0.000 0.268 662 V C -2.090 173.836 176.094 -0.281 0.000 1.043 662 V CA -1.405 60.860 62.300 -0.059 0.000 0.814 662 V CB -0.068 31.764 31.823 0.014 0.000 1.072 662 V HN 0.798 nan 8.190 nan 0.000 0.451 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.825 63.100 -0.459 0.000 0.800 663 P CB 0.000 31.309 31.700 -0.651 0.000 0.726